*HEADER    DE NOVO PROTEIN                         17-NOV-03   1RIJ              
*TITLE     E6-BIND TRP-CAGE (E6APN1)                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: E6APN1 PEPTIDE;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED                
*KEYWDS    TRP-CAGE, E6-BINDING DOMAIN, HUMAN PAPILLOMAVIRUS, HPV E6             
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    NMR, 30 STRUCTURES                                                    
*AUTHOR    Y.LIU, Z.LIU, E.ANDROPHY, J.CHEN, J.D.BALEJA                          
*REVDAT   1   03-AUG-04 1RIJ    0                                                
??!File name: E6aps6-NOE6-ref25.rft  from ref22.rft updated by Feb 11. 2003



! A1 

assign (resid 1 and name HT# ) (resid 2 and name HN ) 4.05 2.29 1.81

assign (resid 1 and name HA ) (resid 2 and name HN ) 2.74 0.98 0.55

assign (resid 1 and name HA ) ((resid 2 and name HD1# ) OR (resid 2 and name HD2# )) 3.50 1.74 2.50

assign (resid 1 and name HB# ) (resid 4 and name HN ) 3.51 1.75 1.70

!assign (resid 1 and name HA ) (resid 4 and name HB# ) 3.50 1.74 2.50



! L2

!assign (resid 2 and name HN ) ((resid 2 and name HD1# ) OR (resid 2 and name HD2# )) 3.04 1.28 1.61

assign (resid 2 and name HN ) (resid 2 and name HA ) 2.90 1.14 0.58

assign (resid 2 and name HA ) (resid 3 and name HN ) 3.00 0.92 0.60 ! ADDED

assign (resid 2 and name HG ) (resid 3 and name HN ) 3.50 1.74 1.50 ! ADDED

assign (resid 2 and name HB# ) (resid 3 and name HN ) 2.68 0.92 2.00

assign ((resid 2 and name HD1# ) OR (resid 2 and name HD2# )) (resid 3 and name HN ) 3.32 1.56 1.66 ! 4.46 2.70 0.89

assign (resid 2 and name HN ) (resid 3 and name HN ) 3.50 1.75 1.50

assign (resid 2 and name HA ) (resid 4 and name HN ) 4.00 0.92 1.00 ! ADDED

!assign (resid 2 and name HB# ) (resid 5 and name HA ) 3.00 2.24 2.00 !ADDED

assign (resid 2 and name HN ) (resid 5 and name HN ) 3.50 1.75 1.50

assign (resid 2 and name HA ) (resid 5 and name HN ) 3.50 1.74 1.00 !ADDED

assign (resid 2 and name HA ) (resid 5 and name HB1 ) 3.00 2.24 1.00 !ADDED

assign ((resid 2 and name HD1# ) OR (resid 2 and name HD2# )) (resid 22 and name HA ) 3.50 2.21 1.50

assign ((resid 2 and name HD1# ) OR (resid 2 and name HD2# )) (resid 22 and name HB1 ) 3.50 2.21 1.50

assign ((resid 2 and name HD1# ) OR (resid 2 and name HD2# )) (resid 22 and name HB2 ) 3.50 2.21 1.50

assign ((resid 2 and name HD1# ) OR (resid 2 and name HD2# )) (resid 23 and name HN ) 3.50 2.21 2.50



! Q3 

assign (resid 3 and name HN ) (resid 3 and name HB# ) 2.48 0.72 2.00

assign (resid 3 and name HN ) (resid 3 and name HG# ) 3.09 1.33 2.00

assign (resid 3 and name HN ) (resid 3 and name HA ) 2.89 1.13 0.58

assign (resid 3 and name HA ) (resid 3 and name HB# ) 2.43 0.67 2.00

assign (resid 3 and name HA ) (resid 3 and name HG# ) 2.88 1.12 2.00

assign (resid 3 and name HE21 ) (resid 3 and name HE22 ) 2.29 0.53 0.46

assign (resid 3 and name HG# ) (resid 4 and name HA ) 3.38 1.62 2.38

assign (resid 3 and name HN ) (resid 4 and name HN ) 3.03 1.27 0.61

assign (resid 3 and name HA ) (resid 4 and name HN ) 3.15 1.39 0.63

assign (resid 3 and name HG# ) (resid 4 and name HN ) 4.00 1.39 2.50

assign (resid 3 and name HN ) (resid 5 and name HN ) 3.50 1.75 1.50

assign (resid 3 and name HA ) (resid 5 and name HN ) 4.12 2.36 0.82 !17HN 

assign (resid 3 and name HG# ) (resid 5 and name HN ) 4.00 2.36 2.50

assign (resid 3 and name HA ) (resid 6 and name HN ) 3.45 1.69 0.69 !3.42 1.66 0.68

assign (resid 3 and name HA ) ((resid 6 and name HD1# ) OR (resid 6 and name HD2# )) 3.16 1.40 1.63 !HD# OR HD'#

!assign (resid 3 and name HA ) ((resid 6 and name HD1# ) OR (resid 6 and name HD2# )) 3.23 1.47 1.65

assign (resid 3 and name HA ) (resid 6 and name HB2 ) 2.87 1.11 0.57  !or 7HA not 3HA

assign (resid 3 and name HA ) (resid 6 and name HB1 ) 3.18 1.42 0.64  !or 7HA not 3HA



! E4 

assign (resid 4 and name HN ) (resid 4 and name HA ) 2.82 1.06 0.56

assign (resid 4 and name HA ) (resid 4 and name HB# ) 2.28 0.52 2.00

assign (resid 4 and name HA ) (resid 4 and name HG# ) 2.67 0.91 2.00

assign (resid 4 and name HB# ) (resid 5 and name HN ) 3.00 1.24 2.30 !ADDED

assign (resid 4 and name HG# ) (resid 5 and name HN ) 4.00 1.24 2.50 !ADDED

assign (resid 4 and name HN ) (resid 5 and name HN ) 2.67 0.91 0.53 !

assign (resid 4 and name HN ) ((resid 5 and name HD1# ) OR (resid 5 and name HD2# )) 3.93 2.17 1.79

assign (resid 4 and name HN ) (resid 6 and name HN ) 3.82 2.06 0.76 !

assign (resid 4 and name HB# ) (resid 6 and name HN ) 3.90 2.14 2.45

assign (resid 4 and name HA ) (resid 7 and name HN ) 3.17 1.41 1.83

assign (resid 4 and name HN ) (resid 7 and name HN ) 3.50 1.75 2.50

assign (resid 4 and name HB# ) (resid 7 and name HN ) 3.50 1.75 2.50



! L5 

assign (resid 5 and name HN ) ((resid 5 and name HD1# ) OR (resid 5 and name HD2# )) 2.89 1.13 1.58

assign (resid 5 and name HN ) (resid 5 and name HB2 ) 2.94 1.18 0.59

assign (resid 5 and name HA ) ((resid 5 and name HD1# ) OR (resid 5 and name HD2# )) 2.33 0.57 1.47

assign (resid 5 and name HA ) (resid 5 and name HB2 ) 2.94 1.18 0.59

assign (resid 5 and name HA ) (resid 5 and name HG ) 2.77 1.01 0.55 !

assign (resid 5 and name HA ) (resid 5 and name HB1 ) 2.78 1.02 0.56

assign (resid 5 and name HB1 ) (resid 6 and name HN ) 3.18 1.42 0.64

assign (resid 5 and name HB2 ) (resid 6 and name HN ) 3.29 1.53 0.66

assign ((resid 5 and name HD1# ) OR (resid 5 and name HD2# )) (resid 6 and name HN ) 3.12 1.36 1.62 

assign (resid 5 and name HN ) (resid 7 and name HN ) 3.50 1.75 1.50

assign ((resid 5 and name HD1# ) OR (resid 5 and name HD2# )) (resid 7 and name HN ) 3.24 1.48 1.65 !

!assign ((resid 5 and name HD1# ) OR (resid 5 and name HD2# )) (resid 8 and name HN ) 3.69 1.93 1.74 !

assign ((resid 5 and name HD1# ) OR (resid 5 and name HD2# )) (resid 9 and name HN ) 3.66 1.90 1.73 !

assign ((resid 5 and name HD1# ) OR (resid 5 and name HD2# )) (resid 9 and name HE1 ) 4.11 2.35 1.82 !

assign (resid 5 and name HA ) (resid 6 and name HN ) 3.09 1.33 0.62

assign ((resid 5 and name HD1# ) OR (resid 5 and name HD2# )) (resid 22 and name HA ) 3.68 1.92 1.74 !  

assign ((resid 5 and name HD1# ) OR (resid 5 and name HD2# )) (resid 22 and name HB2 ) 3.27 1.51 1.65

assign (resid 5 and name HB2 ) (resid 22 and name HB2 ) 3.00 1.21 1.00

assign (resid 5 and name HB2 ) (resid 22 and name HB1 ) 3.00 1.21 1.00

assign ((resid 5 and name HD1# ) OR (resid 5 and name HD2# )) (resid 22 and name HB1 ) 3.83 2.07 1.77 

!assign (resid 5 and name HN ) (resid 22 and name HB2 ) 3.50 1.21 1.50

!assign (resid 5 and name HA ) (resid 22 and name HB2 ) 3.50 1.21 1.50

!assign ((resid 5 and name HD1# ) OR (resid 5 and name HD2# )) (resid 23 and name HN ) 3.50 2.21 2.50



! L6 suppose HB1=1.817 HB2=1.699 HD1#=0.985 HD2#=~0.90  CHI=-180

assign (resid 6 and name HN ) (resid 6 and name HA ) 2.80 1.04 0.56

assign (resid 6 and name HN ) (resid 6 and name HB1 ) 2.75 0.99 0.55

assign (resid 6 and name HN ) (resid 6 and name HB2 ) 2.58 0.82 0.52

assign (resid 6 and name HN ) (resid 6 and name HD1# ) 3.74 1.98 1.75

assign (resid 6 and name HN ) (resid 6 and name HD2# ) 3.50 1.98 1.70

assign (resid 6 and name HN ) (resid 7 and name HN ) 3.09 1.33 0.62

assign (resid 6 and name HA ) (resid 7 and name HN ) 3.50 1.75 1.00

assign (resid 6 and name HD1# ) (resid 7 and name HN ) 3.56 1.80 1.71

assign (resid 6 and name HD2# ) (resid 7 and name HN ) 3.56 1.80 1.71 !ADDED

assign (resid 6 and name HB1 ) (resid 7 and name HN ) 3.00 1.24 1.00 !ADDED

assign (resid 6 and name HB2 ) (resid 7 and name HN ) 3.00 1.24 1.00 !ADDED

assign (resid 6 and name HN ) (resid 8 and name HN ) 4.06 2.30 0.81

assign (resid 6 and name HB1 ) (resid 8 and name HN ) 4.00 2.20 1.00 !ADDED

assign (resid 6 and name HB2 ) (resid 8 and name HN ) 4.00 2.20 1.00 !ADDED

assign (resid 6 and name HN ) (resid 9 and name HN ) 4.56 2.80 0.91

assign (resid 6 and name HA ) (resid 9 and name HB1 ) 3.16 1.40 0.63

assign (resid 6 and name HA ) (resid 9 and name HB2 ) 3.09 1.33 0.62

assign (resid 6 and name HA ) (resid 9 and name HE3 ) 3.47 1.71 0.69

assign (resid 6 and name HB1 ) (resid 9 and name HE3 ) 4.06 2.30 0.81

!assign (resid 6 and name HB1 ) (resid 9 and name HE3 ) 3.72 1.96 0.74

assign (resid 6 and name HB2 ) (resid 9 and name HE3 ) 3.78 2.02 0.76

assign (resid 6 and name HA ) (resid 9 and name HN ) 3.00 1.24 0.60 ! mixed with others

assign (resid 6 and name HD1# ) (resid 9 and name HE3 ) 2.53 0.77 1.51

assign (resid 6 and name HD1# ) (resid 9 and name HN ) 3.96 2.20 1.79

assign (resid 6 and name HD2# ) (resid 9 and name HN ) 3.96 2.20 1.79

assign (resid 6 and name HD2# ) (resid 9 and name HE3 ) 2.53 0.77 1.51

assign (resid 6 and name HA ) (resid 22 and name HD1 ) 3.72 1.96 0.74

assign (resid 6 and name HA ) (resid 22 and name HD2 ) 3.85 2.09 0.77

!assign (resid 6 and name HA ) (resid 22 and name HB2 ) 3.50 1.21 1.50

!assign (resid 3 and name HA ) ((resid 6 and name HD1# ) OR (resid 6 and name HD2# )) 3.23 1.47 1.65

!assign (resid 6 and name HB1 ) ((resid 2 and name HD1# ) OR (resid 2 and name HD2# )) 2.86 1.10 1.57 ! 



! G7 

assign (resid 7 and name HN ) (resid 7 and name HA2 ) 2.75 0.99 0.55

assign (resid 7 and name HN ) (resid 7 and name HA1 ) 2.60 0.84 0.52

assign (resid 7 and name HN ) (resid 8 and name HN ) 2.98 1.22 0.60

assign (resid 7 and name HN ) (resid 9 and name HN ) 3.50 1.75 1.50

assign (resid 7 and name HA2 ) (resid 10 and name HN ) 3.89 2.13 0.78

assign (resid 7 and name HA1 ) (resid 10 and name HN ) 3.64 1.88 0.73

assign (resid 7 and name HA2 ) (resid 11 and name HN ) 3.96 2.20 0.79



! Q8 

assign (resid 8 and name HN ) (resid 8 and name HA ) 2.51 0.75 0.50

assign (resid 8 and name HE21 ) (resid 8 and name HE22 ) 2.19 0.43 0.44 !(7.905, 7.05)" 

assign (resid 8 and name HG# ) (resid 9 and name HN ) 3.58 1.82 2.42 !2.4+ 

assign (resid 8 and name HA ) (resid 9 and name HN ) 3.22 1.46 1.50 ! mixed with others

assign (resid 8 and name HN ) (resid 9 and name HN ) 2.88 1.12 0.58

assign (resid 8 and name HB1 ) (resid 9 and name HN ) 3.00 1.24 1.50 !ADDED 

assign (resid 8 and name HB2 ) (resid 9 and name HN ) 3.00 1.24 1.50 !ADDED 2.4- 

assign (resid 8 and name HN ) (resid 10 and name HN ) 3.65 1.89 0.73

assign (resid 8 and name HE21 ) (resid 11 and name HB# ) 3.00 1.20 2.00 

assign (resid 8 and name HE21 ) (resid 11 and name HD# ) 3.00 1.20 2.00 

assign (resid 8 and name HE22 ) (resid 11 and name HB# ) 3.00 1.20 2.00 

assign (resid 8 and name HE22 ) (resid 11 and name HD# ) 3.00 1.20 2.00 



! W9

assign (resid 9 and name HN ) (resid 9 and name HA ) 3.14 1.38 0.63

assign (resid 9 and name HN ) (resid 9 and name HB1 ) 2.74 0.98 0.55

assign (resid 9 and name HN ) (resid 9 and name HB2 ) 2.70 0.94 0.54

assign (resid 9 and name HN ) (resid 9 and name HD1 ) 3.40 1.64 1.32

!assign (resid 9 and name HN ) (resid 9 and name HZ3 ) 3.64 1.88 0.73

assign (resid 9 and name HE3 ) (resid 9 and name HZ2 ) 5.13 3.37 1.03

assign (resid 9 and name HE3 ) (resid 9 and name HH2 ) 3.13 1.37 1.00

assign (resid 9 and name HE3 ) (resid 9 and name HZ3 ) 2.52 0.76 0.50

assign (resid 9 and name HE3 ) (resid 9 and name HA ) 3.84 2.08 1.10

assign (resid 9 and name HE3 ) (resid 9 and name HB1 ) 2.97 1.21 0.59

assign (resid 9 and name HE3 ) (resid 9 and name HB2 ) 2.75 0.99 1.10

assign (resid 9 and name HN ) (resid 10 and name HN ) 2.72 0.96 0.54

assign (resid 9 and name HA ) (resid 10 and name HN ) 3.59 1.83 0.72 ! 3.37 1.61 0.67

assign (resid 9 and name HD1 ) (resid 10 and name HN ) 3.88 2.12 1.35

assign (resid 9 and name HB2 ) (resid 10 and name HN ) 2.78 1.02 0.90 

assign (resid 9 and name HB1 ) (resid 10 and name HN ) 3.32 1.56 0.66 !3.306

!assign (resid 9 and name HB1 ) ((resid 10 and name HD2# ) OR (resid 10 and name HD1# )) 3.35 1.59 1.67

assign (resid 9 and name HZ3 ) (resid 10 and name HB# ) 3.50 1.74 2.00 !  

assign (resid 9 and name HA ) (resid 12 and name HB1 ) 3.21 1.45 0.64

assign (resid 9 and name HA ) (resid 12 and name HB2 ) 3.49 1.73 1.12

assign (resid 9 and name HA ) (resid 12 and name HN ) 3.37 1.61 0.67 !  

assign (resid 9 and name HZ2 ) (resid 15 and name HA ) 2.90 1.14 1.00

assign (resid 9 and name HZ2 ) (resid 15 and name HD1 ) 3.42 1.66 0.68

assign (resid 9 and name HZ2 ) (resid 15 and name HD2 ) 3.01 1.25 1.30

assign (resid 9 and name HZ2 ) (resid 15 and name HB1 ) 3.50 1.74 0.70

assign (resid 9 and name HZ2 ) (resid 15 and name HB2 ) 3.50 1.74 1.10

assign (resid 9 and name HZ2 ) (resid 15 and name HG# ) 3.00 1.24 2.00

assign (resid 9 and name HH2 ) (resid 15 and name HB1 ) 3.80 2.00 1.20

assign (resid 9 and name HH2 ) (resid 15 and name HB2 ) 3.80 2.00 0.80

assign (resid 9 and name HH2 ) (resid 15 and name HG# ) 3.00 1.24 2.00

assign (resid 9 and name HH2 ) (resid 15 and name HA ) 3.46 0.70 0.69

assign (resid 9 and name HH2 ) (resid 15 and name HD1 ) 4.13 2.37 0.83

assign (resid 9 and name HH2 ) (resid 15 and name HD2 ) 3.87 2.11 0.77

assign (resid 9 and name HE1 ) (resid 19 and name HN ) 3.50 1.00 1.00

assign (resid 9 and name HE1 ) (resid 19 and name HB# ) 4.03 2.27 1.00

assign (resid 9 and name HE1 ) (resid 19 and name HG2 ) 3.47 1.71 1.50

assign (resid 9 and name HE1 ) (resid 19 and name HG1 ) 3.50 1.74 1.50

assign (resid 9 and name HE1 ) (resid 19 and name HD1 ) 4.34 2.58 1.00

assign (resid 9 and name HE1 ) (resid 19 and name HD2 ) 4.04 2.28 1.00

assign (resid 9 and name HD1 ) (resid 19 and name HG2 ) 3.47 1.71 1.00

assign (resid 9 and name HD1 ) (resid 19 and name HG1 ) 3.47 1.71 1.50

assign (resid 9 and name HD1 ) (resid 19 and name HB# ) 4.03 2.27 1.00

assign (resid 9 and name HD1 ) (resid 19 and name HD1 ) 3.50 1.75 1.50

assign (resid 9 and name HD1 ) (resid 19 and name HD2 ) 3.50 1.75 1.50

assign (resid 9 and name HZ2 ) (resid 20 and name HA ) 4.00 2.74 1.00

assign (resid 9 and name HZ2 ) (resid 21 and name HB1 ) 4.00 2.22 0.80

assign (resid 9 and name HH2 ) (resid 21 and name HB1 ) 4.00 2.22 1.00

assign (resid 9 and name HZ2 ) (resid 21 and name HD1 ) 3.18 1.42 0.90

assign (resid 9 and name HZ2 ) (resid 21 and name HD2 ) 3.60 1.84 0.72

assign (resid 9 and name HB1 ) (resid 22 and name HD1 ) 3.50 1.74 1.50

assign (resid 9 and name HB2 ) (resid 22 and name HD1 ) 3.50 1.74 1.50

assign (resid 9 and name HB1 ) (resid 22 and name HD2 ) 3.50 1.74 1.50



! L10  

assign (resid 10 and name HN ) (resid 10 and name HD1# ) 2.94 1.18 1.59

assign (resid 10 and name HN ) (resid 10 and name HB# ) 2.46 0.70 2.00

!assign (resid 10 and name HN ) ((resid 11 and name HZ# ) OR (resid 9 and name HE3 ))  3.31 1.55 0.66 

assign (resid 10 and name HN ) (resid 11 and name HN ) 3.01 1.25 0.60

assign (resid 10 and name HA ) (resid 11 and name HN ) 3.29 1.53 0.66

assign (resid 10 and name HD1# ) (resid 11 and name HN ) 3.57 1.81 1.71

assign ((resid 10 and name HD2# ) OR (resid 10 and name HD1# )) (resid 11 and name HN ) 4.01 2.25 1.80

assign (resid 10 and name HA ) (resid 13 and name HN ) 3.95 2.19 0.79

assign (resid 10 and name HA ) (resid 14 and name HN ) 3.08 1.32 0.62

assign (resid 10 and name HB# ) (resid 14 and name HN ) 3.50 1.25 2.05 ! 3.08 1.32 0.62 

assign ((resid 10 and name HD1# ) OR (resid 10 and name HD2# ))  (resid 14 and name HN ) 3.55 1.79 1.71

assign ((resid 10 and name HD2# ) OR (resid 10 and name HD1# )) (resid 15 and name HD2 ) 3.84 2.08 1.77

assign ((resid 10 and name HD2# ) OR (resid 10 and name HD1# )) (resid 15 and name HD1 ) 3.87 2.11 1.77

assign (resid 14 and name HN ) (resid 11 and name HN ) 3.50 1.75 1.50 

assign (resid 10 and name HB# ) (resid 9 and name HZ3 ) 3.50 1.74 2.00 



! K11 

assign (resid 11 and name HN ) (resid 11 and name HG# ) 2.77 1.01 2.00

assign (resid 11 and name HN ) (resid 11 and name HB# ) 2.36 0.60 2.00

assign (resid 11 and name HN ) (resid 11 and name HA ) 2.67 0.91 0.53

assign (resid 11 and name HN ) (resid 12 and name HB1 ) 4.41 2.65 0.88

assign (resid 11 and name HN ) (resid 12 and name HB2 ) 4.38 2.62 0.88

assign (resid 11 and name HN ) (resid 12 and name HN ) 3.27 1.51 0.65

assign (resid 11 and name HB# ) (resid 12 and name HA ) 3.87 2.11 2.47

assign (resid 11 and name HA ) (resid 12 and name HN ) 3.00 1.24 1.50

assign (resid 11 and name HB# ) (resid 12 and name HN ) 3.00 1.74 2.00

assign (resid 11 and name HN ) (resid 13 and name HN ) 4.23 2.47 0.85

assign (resid 11 and name HA ) (resid 13 and name HN ) 3.81 2.05 0.76

assign (resid 11 and name HN ) (resid 14 and name HN ) 3.50 1.75 2.00



! D12

assign (resid 12 and name HN ) (resid 12 and name HB2 ) 2.78 1.02 0.56

assign (resid 12 and name HN ) (resid 12 and name HB1 ) 2.97 1.21 0.59

assign (resid 12 and name HN ) (resid 12 and name HA ) 3.03 1.27 0.61

assign (resid 12 and name HA ) (resid 12 and name HB1 ) 2.80 1.04 0.56

assign (resid 12 and name HA ) (resid 12 and name HB2 ) 2.72 0.96 0.54

assign (resid 12 and name HN ) (resid 13 and name HN ) 3.07 1.31 0.31

assign (resid 12 and name HA ) (resid 13 and name HN ) 3.21 1.45 0.64 !

assign (resid 12 and name HB1 ) (resid 13 and name HN ) 4.14 2.38 0.83

assign (resid 12 and name HB2 ) (resid 13 and name HN ) 4.22 2.46 0.84

assign (resid 12 and name HN ) (resid 14 and name HN ) 3.97 2.21 0.79 ! 

assign (resid 12 and name HA ) (resid 14 and name HN ) 4.00 2.21 1.50

assign (resid 12 and name HB2 ) (resid 14 and name HN ) 3.50 1.74 2.00

assign (resid 12 and name HB1 ) (resid 14 and name HN ) 3.50 1.74 1.50

assign (resid 12 and name HB1 ) (resid 17 and name HA ) 4.32 2.56 1.30

assign (resid 12 and name HB2 ) (resid 17 and name HA ) 3.92 2.16 1.10

assign (resid 12 and name HB1 ) (resid 17 and name HB2 ) 3.64 1.88 0.73

assign (resid 12 and name HB2 ) (resid 17 and name HB2 ) 3.45 1.69 1.00

assign (resid 12 and name HB1 ) (resid 17 and name HB1 ) 3.58 1.82 0.72

assign (resid 12 and name HB2 ) (resid 17 and name HB1 ) 3.53 1.77 0.71



! G13  

assign (resid 13 and name HN ) (resid 13 and name HA1 ) 2.99 1.23 0.30

assign (resid 13 and name HN ) (resid 13 and name HA2 ) 2.99 1.23 0.30

assign (resid 13 and name HN ) (resid 14 and name HN ) 2.77 1.01 0.55

assign (resid 13 and name HA1 ) (resid 14 and name HN ) 3.23 1.47 0.65

assign (resid 13 and name HA2 ) (resid 14 and name HN ) 3.15 1.39 0.63

!assign (resid 13 and name HA1 ) (resid 19 and name HN ) 4.93 3.17 0.99 !17HA



! G14 

assign (resid 14 and name HN ) (resid 14 and name HA1 ) 2.93 1.17 0.30

assign (resid 14 and name HN ) (resid 15 and name HD1 ) 3.87 2.11 0.77

assign (resid 14 and name HN ) (resid 15 and name HD2 ) 3.84 2.08 0.77

assign (resid 14 and name HA1 ) (resid 15 and name HD1 ) 2.87 1.11 0.30

assign (resid 14 and name HA1 ) (resid 15 and name HD2 ) 2.87 1.11 0.30 

assign (resid 14 and name HA2 ) (resid 15 and name HD1 ) 3.50 1.74 1.50

assign (resid 14 and name HA2 ) (resid 15 and name HD2 ) 3.50 1.74 1.50

assign (resid 14 and name HN ) (resid 17 and name HN ) 3.50 1.75 1.50



! P15  

assign (resid 15 and name HA ) (resid 15 and name HB1 ) 2.65 0.89 0.53

assign (resid 15 and name HA ) (resid 15 and name HB2 ) 2.66 0.90 0.53

assign (resid 15 and name HA ) (resid 15 and name HD2 ) 3.75 1.99 0.75

assign (resid 15 and name HA ) (resid 15 and name HD1 ) 3.70 1.94 0.74

assign (resid 15 and name HD1 ) (resid 15 and name HD2 ) 2.35 0.59 0.47

assign (resid 15 and name HA ) (resid 16 and name HN ) 3.60 1.84 0.72 ! 3.41 1.65 0.68

assign (resid 15 and name HD1 ) (resid 16 and name HN ) 3.50 1.74 0.70

assign (resid 15 and name HD2 ) (resid 16 and name HN ) 4.33 2.57 0.87

assign (resid 15 and name HB1 ) (resid 16 and name HA ) 3.98 2.22 0.80

assign (resid 15 and name HB1 ) (resid 16 and name HN ) 3.00 1.24 2.00

assign (resid 15 and name HB2 ) (resid 16 and name HN ) 3.50 1.74 2.00

assign (resid 15 and name HG# ) (resid 16 and name HN ) 3.00 1.24 2.00

assign (resid 15 and name HA ) (resid 17 and name HN ) 3.66 1.90 0.73 ! 3.89 2.13 0.78 ! "(8.26, 4.60)" 



! S16  

assign (resid 16 and name HN ) (resid 16 and name HA ) 3.32 1.56 0.66

assign (resid 16 and name HN ) (resid 16 and name HB# ) 2.98 1.22 2.30

assign (resid 16 and name HA ) (resid 16 and name HB# ) 2.52 0.76 2.00

assign (resid 16 and name HN ) (resid 17 and name HN ) 3.17 1.41 0.63

assign (resid 16 and name HA ) (resid 17 and name HN ) 3.36 1.60 0.67

assign (resid 16 and name HB# ) (resid 17 and name HN ) 2.89 1.13 2.00

assign (resid 16 and name HA ) (resid 18 and name HN ) 4.09 2.33 0.82 ! 3.65 1.89 0.73



! S17  

assign (resid 17 and name HN ) (resid 18 and name HN ) 3.22 1.46 0.64



! G18  

assign (resid 18 and name HA1 ) (resid 19 and name HN ) 3.50 1.76 1.50

assign (resid 18 and name HA2 ) (resid 19 and name HN ) 3.73 1.97 1.50

assign (resid 18 and name HN ) (resid 19 and name HN ) 3.50 2.21 1.50

assign (resid 18 and name HN ) (resid 19 and name HG1 ) 3.00 1.20 2.00 !6HB/8HN

assign (resid 18 and name HN ) (resid 19 and name HG2 ) 3.00 1.20 2.00 !6HB/8HN



! R19 

assign (resid 19 and name HN ) (resid 19 and name HD1 ) 4.64 2.88 0.93

assign (resid 19 and name HN ) (resid 19 and name HD2 ) 4.83 3.07 0.97

assign (resid 19 and name HE ) (resid 19 and name HB# ) 4.29 2.53 1.00

!assign (resid 19 and name HE ) ((resid 19 and name HB2 ) OR (resid 19 and name HG1 )) 3.52 1.76 0.70   

assign (resid 19 and name HA ) (resid 20 and name HD1 ) 3.00 1.24 1.00

assign (resid 19 and name HA ) (resid 20 and name HD2 ) 3.00 1.24 1.00

assign (resid 19 and name HA ) (resid 20 and name HG# ) 3.00 1.24 2.00



! P20  

assign (resid 20 and name HA ) (resid 20 and name HB1 ) 3.02 1.26 0.60

assign (resid 20 and name HA ) (resid 20 and name HB2 ) 2.89 1.13 0.58

assign (resid 20 and name HA ) (resid 20 and name HG# ) 3.55 1.79 2.40

assign (resid 20 and name HA ) (resid 21 and name HD1 ) 2.90 1.14 1.00

assign (resid 20 and name HA ) (resid 21 and name HD2 ) 2.90 1.14 1.00

!assign (resid 20 and name HA ) ((resid 21 and name HG1 ) OR (resid 21 and name HG2 )) 4.04 2.28 0.81

assign (resid 20 and name HB2 ) (resid 21 and name HD1 ) 3.48 1.72 0.70

assign (resid 20 and name HB2 ) (resid 21 and name HD2 ) 3.09 1.33 0.62

assign (resid 20 and name HB1 ) (resid 21 and name HD1 ) 3.28 1.52 0.65

assign (resid 20 and name HB1) (resid 21 and name HD2 ) 3.90 2.14 0.80

assign (resid 20 and name HG# ) (resid 21 and name HD1 ) 3.28 1.52 2.35

assign (resid 20 and name HG# ) (resid 21 and name HD2 ) 3.09 1.33 2.31



! P21  

assign (resid 21 and name HD1 ) (resid 21 and name HB1 ) 3.83 2.07 0.77

assign (resid 21 and name HB2 ) (resid 22 and name HD1 ) 3.97 2.21 0.79

assign (resid 21 and name HB1 ) (resid 22 and name HD1 ) 3.30 1.54 0.66

assign (resid 21 and name HB2 ) (resid 22 and name HD2 ) 4.57 2.81 0.91

assign (resid 21 and name HB1 ) (resid 22 and name HD2 ) 3.61 1.85 0.72



! P22  

assign (resid 22 and name HA ) (resid 22 and name HB2 ) 2.60 0.84 2.00

assign (resid 22 and name HA ) (resid 22 and name HD1 ) 4.03 2.27 0.81

assign (resid 22 and name HA ) (resid 22 and name HD2 ) 3.81 2.05 0.76

assign (resid 22 and name HA ) (resid 23 and name HN ) 2.42 0.66 1.00

assign (resid 22 and name HB2 ) (resid 23 and name HN ) 3.37 1.61 1.67

!assign (resid 22 and name HG# ) (resid 23 and name HN ) 3.37 1.61 1.67

assign (resid 22 and name HD1 ) (resid 23 and name HN ) 3.50 1.74 1.50

assign (resid 22 and name HD2 ) (resid 23 and name HN ) 3.50 1.74 2.00



! S23 

assign (resid 23 and name HN ) (resid 23 and name HA ) 2.38 0.62 0.48

assign (resid 23 and name HN ) (resid 23 and name HB2 ) 3.42 1.66 0.68

assign (resid 23 and name HN ) (resid 23 and name HB1 ) 3.38 1.62 0.68

assign (resid 23 and name HA ) (resid 23 and name HB2 ) 2.96 1.20 0.59

assign (resid 23 and name HA ) (resid 23 and name HB1 ) 3.00 1.24 0.60


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    ALA   1           H        ALA   1   6.933  -7.822  -2.821
    2    HA   ALA   1           HA       ALA   1   5.630  -7.930  -4.807
    3   1HB   ALA   1          1HB       ALA   1   4.217 -10.090  -3.295
    4   2HB   ALA   1          2HB       ALA   1   4.875 -10.134  -4.930
    5   3HB   ALA   1          3HB       ALA   1   3.421  -9.196  -4.589
    6    H    LEU   2           H        LEU   2   3.615  -8.517  -1.988
    7    HA   LEU   2           HA       LEU   2   2.279  -6.000  -2.274
    8   1HB   LEU   2          1HB       LEU   2   0.919  -6.666  -0.440
    9   2HB   LEU   2          2HB       LEU   2   1.182  -8.079  -1.443
   10    HG   LEU   2           HG       LEU   2   3.214  -8.278   0.409
   11   1HD1  LEU   2          1HD1      LEU   2   1.677  -8.121   2.549
   12   2HD1  LEU   2          2HD1      LEU   2   0.895  -6.855   1.602
   13   3HD1  LEU   2          3HD1      LEU   2   2.613  -6.739   1.980
   14   1HD2  LEU   2          1HD2      LEU   2   2.013 -10.160   1.236
   15   2HD2  LEU   2          2HD2      LEU   2   1.658 -10.027  -0.487
   16   3HD2  LEU   2          3HD2      LEU   2   0.473  -9.489   0.703
   17    H    GLN   3           H        GLN   3   4.914  -7.210  -0.313
   18    HA   GLN   3           HA       GLN   3   4.926  -5.243   1.695
   19   1HB   GLN   3          1HB       GLN   3   6.278  -7.455   1.496
   20   2HB   GLN   3          2HB       GLN   3   7.451  -6.474   0.629
   21   1HG   GLN   3          1HG       GLN   3   6.460  -5.634   3.322
   22   2HG   GLN   3          2HG       GLN   3   7.733  -6.844   3.166
   23   1HE2  GLN   3          1HE2      GLN   3   9.559  -6.165   1.666
   24   2HE2  GLN   3          2HE2      GLN   3  10.116  -4.535   1.828
   25    H    GLU   4           H        GLU   4   6.587  -5.372  -1.452
   26    HA   GLU   4           HA       GLU   4   7.972  -2.931  -1.193
   27   1HB   GLU   4          1HB       GLU   4   7.134  -4.595  -3.552
   28   2HB   GLU   4          2HB       GLU   4   7.916  -3.039  -3.785
   29   1HG   GLU   4          1HG       GLU   4   9.111  -5.225  -2.109
   30   2HG   GLU   4          2HG       GLU   4   9.409  -5.068  -3.839
   31    H    LEU   5           H        LEU   5   4.785  -3.710  -2.544
   32    HA   LEU   5           HA       LEU   5   4.213  -1.064  -3.428
   33   1HB   LEU   5          1HB       LEU   5   3.134  -3.298  -4.146
   34   2HB   LEU   5          2HB       LEU   5   2.125  -3.107  -2.725
   35    HG   LEU   5           HG       LEU   5   2.298  -0.906  -4.755
   36   1HD1  LEU   5          1HD1      LEU   5   1.776  -2.921  -6.020
   37   2HD1  LEU   5          2HD1      LEU   5   0.372  -1.859  -5.910
   38   3HD1  LEU   5          3HD1      LEU   5   0.470  -3.299  -4.896
   39   1HD2  LEU   5          1HD2      LEU   5  -0.283  -1.227  -3.722
   40   2HD2  LEU   5          2HD2      LEU   5   0.888   0.027  -3.315
   41   3HD2  LEU   5          3HD2      LEU   5   0.810  -1.450  -2.355
   42    H    LEU   6           H        LEU   6   3.850  -2.744  -0.388
   43    HA   LEU   6           HA       LEU   6   1.900  -1.308   0.921
   44   1HB   LEU   6          1HB       LEU   6   3.848  -3.141   1.598
   45   2HB   LEU   6          2HB       LEU   6   4.211  -1.772   2.615
   46    HG   LEU   6           HG       LEU   6   2.754  -3.462   3.703
   47   1HD1  LEU   6          1HD1      LEU   6   2.665  -1.303   4.627
   48   2HD1  LEU   6          2HD1      LEU   6   0.984  -1.798   4.423
   49   3HD1  LEU   6          3HD1      LEU   6   1.719  -0.675   3.278
   50   1HD2  LEU   6          1HD2      LEU   6   0.463  -3.728   3.028
   51   2HD2  LEU   6          2HD2      LEU   6   1.509  -4.109   1.660
   52   3HD2  LEU   6          3HD2      LEU   6   0.669  -2.561   1.723
   53    H    GLY   7           H        GLY   7   5.375  -0.498   0.719
   54   1HA   GLY   7          1HA       GLY   7   5.259   1.836   2.277
   55   2HA   GLY   7          2HA       GLY   7   6.466   1.493   1.056
   56    H    GLN   8           H        GLN   8   4.594   1.277  -1.127
   57    HA   GLN   8           HA       GLN   8   4.372   4.084  -1.779
   58   1HB   GLN   8          1HB       GLN   8   4.845   2.087  -3.386
   59   2HB   GLN   8          2HB       GLN   8   3.101   1.866  -3.370
   60   1HG   GLN   8          1HG       GLN   8   3.623   3.156  -5.278
   61   2HG   GLN   8          2HG       GLN   8   2.878   4.245  -4.110
   62   1HE2  GLN   8          1HE2      GLN   8   4.087   5.882  -3.202
   63   2HE2  GLN   8          2HE2      GLN   8   5.666   6.307  -3.766
   64    H    TRP   9           H        TRP   9   2.246   1.431  -0.989
   65    HA   TRP   9           HA       TRP   9  -0.255   2.673  -1.261
   66   1HB   TRP   9          1HB       TRP   9   0.103   0.249  -1.105
   67   2HB   TRP   9          2HB       TRP   9   0.682   0.430   0.539
   68    HD1  TRP   9           HD1      TRP   9  -2.551   1.588  -1.244
   69    HE1  TRP   9           HE1      TRP   9  -4.547   0.923   0.255
   70    HE3  TRP   9           HE3      TRP   9   0.021  -0.651   2.524
   71    HZ2  TRP   9           HZ2      TRP   9  -4.942  -0.384   2.742
   72    HZ3  TRP   9           HZ3      TRP   9  -1.219  -1.573   4.435
   73    HH2  TRP   9           HH2      TRP   9  -3.652  -1.429   4.536
   74    H    LEU  10           H        LEU  10   1.990   2.324   1.436
   75    HA   LEU  10           HA       LEU  10   0.361   3.579   3.399
   76   1HB   LEU  10          1HB       LEU  10   2.521   2.074   3.591
   77   2HB   LEU  10          2HB       LEU  10   3.339   3.623   3.587
   78    HG   LEU  10           HG       LEU  10   1.084   3.344   5.486
   79   1HD1  LEU  10          1HD1      LEU  10   2.148   1.162   5.700
   80   2HD1  LEU  10          2HD1      LEU  10   2.453   2.157   7.123
   81   3HD1  LEU  10          3HD1      LEU  10   3.717   1.938   5.913
   82   1HD2  LEU  10          1HD2      LEU  10   2.247   5.395   5.526
   83   2HD2  LEU  10          2HD2      LEU  10   3.818   4.595   5.492
   84   3HD2  LEU  10          3HD2      LEU  10   2.812   4.502   6.937
   85    H    LYS  11           H        LYS  11   2.695   4.783   1.062
   86    HA   LYS  11           HA       LYS  11   3.150   7.334   2.117
   87   1HB   LYS  11          1HB       LYS  11   3.799   5.937  -0.249
   88   2HB   LYS  11          2HB       LYS  11   3.024   7.431  -0.758
   89   1HG   LYS  11          1HG       LYS  11   4.634   8.606   0.834
   90   2HG   LYS  11          2HG       LYS  11   5.514   7.077   0.873
   91   1HD   LYS  11          1HD       LYS  11   6.580   8.265  -0.822
   92   2HD   LYS  11          2HD       LYS  11   5.454   7.228  -1.700
   93   1HE   LYS  11          1HE       LYS  11   4.091   8.974  -2.288
   94   2HE   LYS  11          2HE       LYS  11   4.531   9.934  -0.878
   95   1HZ   LYS  11          1HZ       LYS  11   6.268   9.445  -3.239
   96   2HZ   LYS  11          2HZ       LYS  11   6.675  10.384  -1.891
   97   3HZ   LYS  11          3HZ       LYS  11   5.424  10.877  -2.916
   98    H    ASP  12           H        ASP  12   0.440   6.034   0.321
   99    HA   ASP  12           HA       ASP  12  -0.780   8.683   0.081
  100   1HB   ASP  12          1HB       ASP  12  -0.676   6.869  -1.792
  101   2HB   ASP  12          2HB       ASP  12  -2.026   6.142  -0.928
  102    H    GLY  13           H        GLY  13  -0.493   7.112   2.666
  103   1HA   GLY  13          1HA       GLY  13  -1.812   7.229   4.586
  104   2HA   GLY  13          2HA       GLY  13  -3.212   7.559   3.581
  105    H    GLY  14           H        GLY  14  -1.146   4.830   2.892
  106   1HA   GLY  14          1HA       GLY  14  -1.634   2.599   2.736
  107   2HA   GLY  14          2HA       GLY  14  -2.101   2.801   4.416
  108    HA   PRO  15           HA       PRO  15  -5.958   0.977   2.987
  109   1HB   PRO  15          1HB       PRO  15  -6.687   2.062   5.665
  110   2HB   PRO  15          2HB       PRO  15  -7.039   0.487   4.965
  111   1HG   PRO  15          1HG       PRO  15  -5.119   0.732   6.766
  112   2HG   PRO  15          2HG       PRO  15  -4.859  -0.285   5.334
  113   1HD   PRO  15          1HD       PRO  15  -3.828   2.460   5.916
  114   2HD   PRO  15          2HD       PRO  15  -3.023   1.111   5.098
  115    H    SER  16           H        SER  16  -5.626   4.215   4.374
  116    HA   SER  16           HA       SER  16  -8.196   5.003   3.298
  117   1HB   SER  16          1HB       SER  16  -6.121   6.572   4.848
  118   2HB   SER  16          2HB       SER  16  -7.692   7.204   4.357
  119    HG   SER  16           HG       SER  16  -7.061   5.294   6.301
  120    H    SER  17           H        SER  17  -5.932   4.272   1.475
  121    HA   SER  17           HA       SER  17  -5.317   6.808   0.164
  122   1HB   SER  17          1HB       SER  17  -3.739   5.549  -1.171
  123   2HB   SER  17          2HB       SER  17  -3.524   5.104   0.521
  124    HG   SER  17           HG       SER  17  -4.530   3.182   0.143
  125    H    GLY  18           H        GLY  18  -7.977   5.054   0.137
  126   1HA   GLY  18          1HA       GLY  18  -9.737   5.042  -1.366
  127   2HA   GLY  18          2HA       GLY  18  -8.685   5.794  -2.556
  128    H    ARG  19           H        ARG  19  -7.464   2.962  -1.040
  129    HA   ARG  19           HA       ARG  19  -8.554   1.074  -2.908
  130   1HB   ARG  19          1HB       ARG  19  -6.220   0.494  -3.795
  131   2HB   ARG  19          2HB       ARG  19  -7.002   1.922  -4.458
  132   1HG   ARG  19          1HG       ARG  19  -5.676   3.342  -2.977
  133   2HG   ARG  19          2HG       ARG  19  -4.893   1.911  -2.305
  134   1HD   ARG  19          1HD       ARG  19  -3.351   2.577  -3.880
  135   2HD   ARG  19          2HD       ARG  19  -4.305   1.416  -4.801
  136    HE   ARG  19           HE       ARG  19  -5.545   3.762  -5.312
  137   1HH1  ARG  19          1HH1      ARG  19  -2.202   2.746  -5.539
  138   2HH1  ARG  19          2HH1      ARG  19  -1.831   3.836  -6.831
  139   1HH2  ARG  19          1HH2      ARG  19  -5.052   5.196  -7.012
  140   2HH2  ARG  19          2HH2      ARG  19  -3.449   5.228  -7.668
  141    HA   PRO  20           HA       PRO  20  -7.581  -1.588   0.500
  142   1HB   PRO  20          1HB       PRO  20  -7.434  -3.801  -1.442
  143   2HB   PRO  20          2HB       PRO  20  -8.544  -3.566  -0.090
  144   1HG   PRO  20          1HG       PRO  20  -9.358  -3.315  -2.632
  145   2HG   PRO  20          2HG       PRO  20 -10.006  -2.286  -1.341
  146   1HD   PRO  20          1HD       PRO  20  -7.930  -1.654  -3.406
  147   2HD   PRO  20          2HD       PRO  20  -9.266  -0.647  -2.807
  148    HA   PRO  21           HA       PRO  21  -3.241  -2.370   0.760
  149   1HB   PRO  21          1HB       PRO  21  -3.822  -5.105   1.748
  150   2HB   PRO  21          2HB       PRO  21  -2.907  -3.803   2.513
  151   1HG   PRO  21          1HG       PRO  21  -5.353  -4.469   3.364
  152   2HG   PRO  21          2HG       PRO  21  -4.803  -2.786   3.355
  153   1HD   PRO  21          1HD       PRO  21  -6.660  -4.183   1.487
  154   2HD   PRO  21          2HD       PRO  21  -6.709  -2.515   2.089
  155    HA   PRO  22           HA       PRO  22  -2.023  -4.546  -2.902
  156   1HB   PRO  22          1HB       PRO  22   0.574  -5.132  -2.241
  157   2HB   PRO  22          2HB       PRO  22   0.029  -3.553  -2.812
  158   1HG   PRO  22          1HG       PRO  22   0.528  -4.487  -0.014
  159   2HG   PRO  22          2HG       PRO  22   0.946  -2.938  -0.770
  160   1HD   PRO  22          1HD       PRO  22  -1.178  -3.184   0.855
  161   2HD   PRO  22          2HD       PRO  22  -1.207  -2.110  -0.559
  162    H    SER  23           H        SER  23  -1.674  -6.009   0.245
  163    HA   SER  23           HA       SER  23  -0.860  -8.586  -0.518
  164   1HB   SER  23          1HB       SER  23  -1.947  -9.283   1.677
  165   2HB   SER  23          2HB       SER  23  -0.719  -8.024   1.793
  166    HG   SER  23           HG       SER  23  -3.501  -7.836   2.084
  Start of MODEL    2
    1    H    ALA   1           H        ALA   1   3.185  -6.267  -6.534
    2    HA   ALA   1           HA       ALA   1   5.474  -7.237  -4.959
    3   1HB   ALA   1          1HB       ALA   1   5.763  -4.800  -4.467
    4   2HB   ALA   1          2HB       ALA   1   4.583  -4.465  -5.735
    5   3HB   ALA   1          3HB       ALA   1   6.107  -5.260  -6.134
    6    H    LEU   2           H        LEU   2   5.054  -7.603  -2.883
    7    HA   LEU   2           HA       LEU   2   2.413  -6.869  -1.840
    8   1HB   LEU   2          1HB       LEU   2   3.650  -9.263  -1.794
    9   2HB   LEU   2          2HB       LEU   2   4.211  -8.616  -0.264
   10    HG   LEU   2           HG       LEU   2   1.287  -8.663  -0.962
   11   1HD1  LEU   2          1HD1      LEU   2   2.115 -10.946  -1.192
   12   2HD1  LEU   2          2HD1      LEU   2   1.100 -10.775   0.240
   13   3HD1  LEU   2          3HD1      LEU   2   2.855 -10.844   0.406
   14   1HD2  LEU   2          1HD2      LEU   2   2.907  -8.361   1.545
   15   2HD2  LEU   2          2HD2      LEU   2   1.211  -8.843   1.594
   16   3HD2  LEU   2          3HD2      LEU   2   1.667  -7.291   0.891
   17    H    GLN   3           H        GLN   3   5.803  -6.993  -0.712
   18    HA   GLN   3           HA       GLN   3   5.265  -5.230   1.495
   19   1HB   GLN   3          1HB       GLN   3   7.850  -6.315   0.367
   20   2HB   GLN   3          2HB       GLN   3   7.750  -5.323   1.815
   21   1HG   GLN   3          1HG       GLN   3   7.346  -7.112   3.040
   22   2HG   GLN   3          2HG       GLN   3   5.913  -7.474   2.080
   23   1HE2  GLN   3          1HE2      GLN   3   6.038  -8.989   0.434
   24   2HE2  GLN   3          2HE2      GLN   3   7.381 -10.066   0.263
   25    H    GLU   4           H        GLU   4   7.028  -4.953  -1.585
   26    HA   GLU   4           HA       GLU   4   7.906  -2.311  -1.274
   27   1HB   GLU   4          1HB       GLU   4   7.298  -3.929  -3.746
   28   2HB   GLU   4          2HB       GLU   4   7.990  -2.315  -3.812
   29   1HG   GLU   4          1HG       GLU   4   9.955  -3.034  -2.662
   30   2HG   GLU   4          2HG       GLU   4   9.244  -4.613  -2.332
   31    H    LEU   5           H        LEU   5   4.925  -3.588  -2.734
   32    HA   LEU   5           HA       LEU   5   3.899  -1.088  -3.562
   33   1HB   LEU   5          1HB       LEU   5   3.170  -3.595  -4.067
   34   2HB   LEU   5          2HB       LEU   5   2.032  -3.266  -2.775
   35    HG   LEU   5           HG       LEU   5   2.289  -1.598  -5.279
   36   1HD1  LEU   5          1HD1      LEU   5   1.458  -4.038  -5.480
   37   2HD1  LEU   5          2HD1      LEU   5   0.513  -2.744  -6.218
   38   3HD1  LEU   5          3HD1      LEU   5   0.008  -3.436  -4.676
   39   1HD2  LEU   5          1HD2      LEU   5   1.180  -0.120  -4.019
   40   2HD2  LEU   5          2HD2      LEU   5   0.809  -1.315  -2.776
   41   3HD2  LEU   5          3HD2      LEU   5  -0.203  -1.196  -4.217
   42    H    LEU   6           H        LEU   6   3.667  -2.882  -0.534
   43    HA   LEU   6           HA       LEU   6   1.625  -1.468   0.727
   44   1HB   LEU   6          1HB       LEU   6   3.108  -3.516   1.431
   45   2HB   LEU   6          2HB       LEU   6   4.013  -2.303   2.296
   46    HG   LEU   6           HG       LEU   6   2.431  -3.349   3.789
   47   1HD1  LEU   6          1HD1      LEU   6   1.415  -1.437   4.709
   48   2HD1  LEU   6          2HD1      LEU   6   1.306  -0.640   3.140
   49   3HD1  LEU   6          3HD1      LEU   6   2.878  -0.862   3.909
   50   1HD2  LEU   6          1HD2      LEU   6   0.828  -4.103   2.087
   51   2HD2  LEU   6          2HD2      LEU   6   0.274  -2.441   1.891
   52   3HD2  LEU   6          3HD2      LEU   6   0.040  -3.273   3.429
   53    H    GLY   7           H        GLY   7   5.131  -0.814   0.727
   54   1HA   GLY   7          1HA       GLY   7   5.023   1.472   2.373
   55   2HA   GLY   7          2HA       GLY   7   6.293   1.105   1.225
   56    H    GLN   8           H        GLN   8   4.369   0.979  -1.012
   57    HA   GLN   8           HA       GLN   8   4.387   3.800  -1.679
   58   1HB   GLN   8          1HB       GLN   8   4.588   1.548  -3.192
   59   2HB   GLN   8          2HB       GLN   8   2.882   1.913  -3.401
   60   1HG   GLN   8          1HG       GLN   8   4.004   2.953  -5.185
   61   2HG   GLN   8          2HG       GLN   8   3.577   4.240  -4.058
   62   1HE2  GLN   8          1HE2      GLN   8   5.186   5.325  -2.956
   63   2HE2  GLN   8          2HE2      GLN   8   6.862   5.163  -3.350
   64    H    TRP   9           H        TRP   9   2.097   1.298  -0.879
   65    HA   TRP   9           HA       TRP   9  -0.309   2.731  -1.203
   66   1HB   TRP   9          1HB       TRP   9  -0.119   0.270  -1.094
   67   2HB   TRP   9          2HB       TRP   9   0.366   0.390   0.588
   68    HD1  TRP   9           HD1      TRP   9  -2.630   1.932  -1.318
   69    HE1  TRP   9           HE1      TRP   9  -4.768   1.387   0.022
   70    HE3  TRP   9           HE3      TRP   9  -0.529  -0.793   2.424
   71    HZ2  TRP   9           HZ2      TRP   9  -5.443  -0.018   2.390
   72    HZ3  TRP   9           HZ3      TRP   9  -1.972  -1.698   4.200
   73    HH2  TRP   9           HH2      TRP   9  -4.379  -1.307   4.175
   74    H    LEU  10           H        LEU  10   1.863   2.151   1.515
   75    HA   LEU  10           HA       LEU  10   0.298   3.470   3.486
   76   1HB   LEU  10          1HB       LEU  10   2.438   1.856   3.602
   77   2HB   LEU  10          2HB       LEU  10   3.248   3.399   3.780
   78    HG   LEU  10           HG       LEU  10   1.608   3.870   5.681
   79   1HD1  LEU  10          1HD1      LEU  10   1.204   0.892   5.434
   80   2HD1  LEU  10          2HD1      LEU  10  -0.015   2.135   5.153
   81   3HD1  LEU  10          3HD1      LEU  10   0.650   1.901   6.769
   82   1HD2  LEU  10          1HD2      LEU  10   2.962   2.627   7.285
   83   2HD2  LEU  10          2HD2      LEU  10   3.968   3.342   6.025
   84   3HD2  LEU  10          3HD2      LEU  10   3.593   1.619   5.983
   85    H    LYS  11           H        LYS  11   2.679   4.564   1.161
   86    HA   LYS  11           HA       LYS  11   3.311   7.065   2.258
   87   1HB   LYS  11          1HB       LYS  11   4.528   6.035   0.372
   88   2HB   LYS  11          2HB       LYS  11   3.126   6.278  -0.659
   89   1HG   LYS  11          1HG       LYS  11   3.454   8.790   0.080
   90   2HG   LYS  11          2HG       LYS  11   5.109   8.243   0.347
   91   1HD   LYS  11          1HD       LYS  11   5.023   9.065  -1.876
   92   2HD   LYS  11          2HD       LYS  11   5.051   7.305  -1.995
   93   1HE   LYS  11          1HE       LYS  11   2.344   8.303  -1.811
   94   2HE   LYS  11          2HE       LYS  11   3.207   9.046  -3.157
   95   1HZ   LYS  11          1HZ       LYS  11   3.751   6.860  -3.994
   96   2HZ   LYS  11          2HZ       LYS  11   2.076   6.995  -3.800
   97   3HZ   LYS  11          3HZ       LYS  11   2.987   6.121  -2.676
   98    H    ASP  12           H        ASP  12   0.549   5.952   0.406
   99    HA   ASP  12           HA       ASP  12  -0.555   8.657   0.262
  100   1HB   ASP  12          1HB       ASP  12  -0.526   6.839  -1.652
  101   2HB   ASP  12          2HB       ASP  12  -1.962   6.247  -0.827
  102    H    GLY  13           H        GLY  13  -0.329   7.308   2.838
  103   1HA   GLY  13          1HA       GLY  13  -1.609   7.214   4.747
  104   2HA   GLY  13          2HA       GLY  13  -2.981   7.760   3.798
  105    H    GLY  14           H        GLY  14  -1.110   4.878   3.044
  106   1HA   GLY  14          1HA       GLY  14  -1.783   2.712   2.733
  107   2HA   GLY  14          2HA       GLY  14  -2.371   2.881   4.378
  108    HA   PRO  15           HA       PRO  15  -6.234   1.507   2.516
  109   1HB   PRO  15          1HB       PRO  15  -7.115   2.437   5.206
  110   2HB   PRO  15          2HB       PRO  15  -7.490   0.940   4.363
  111   1HG   PRO  15          1HG       PRO  15  -5.729   0.958   6.343
  112   2HG   PRO  15          2HG       PRO  15  -5.427  -0.008   4.888
  113   1HD   PRO  15          1HD       PRO  15  -4.231   2.604   5.705
  114   2HD   PRO  15          2HD       PRO  15  -3.478   1.240   4.865
  115    H    SER  16           H        SER  16  -5.897   4.528   4.359
  116    HA   SER  16           HA       SER  16  -8.270   5.731   3.558
  117   1HB   SER  16          1HB       SER  16  -5.645   7.098   4.203
  118   2HB   SER  16          2HB       SER  16  -7.235   7.863   4.203
  119    HG   SER  16           HG       SER  16  -6.420   7.126   6.299
  120    H    SER  17           H        SER  17  -5.321   5.263   1.783
  121    HA   SER  17           HA       SER  17  -5.303   7.276  -0.081
  122   1HB   SER  17          1HB       SER  17  -4.099   5.797  -1.536
  123   2HB   SER  17          2HB       SER  17  -3.652   5.377   0.116
  124    HG   SER  17           HG       SER  17  -5.043   3.610   0.001
  125    H    GLY  18           H        GLY  18  -7.308   4.351  -0.098
  126   1HA   GLY  18          1HA       GLY  18  -9.627   5.000  -1.041
  127   2HA   GLY  18          2HA       GLY  18  -8.701   5.328  -2.499
  128    H    ARG  19           H        ARG  19  -6.861   3.138  -2.178
  129    HA   ARG  19           HA       ARG  19  -8.644   0.942  -2.959
  130   1HB   ARG  19          1HB       ARG  19  -6.670  -0.009  -4.087
  131   2HB   ARG  19          2HB       ARG  19  -7.033   1.614  -4.659
  132   1HG   ARG  19          1HG       ARG  19  -5.257   2.495  -3.188
  133   2HG   ARG  19          2HG       ARG  19  -4.866   0.841  -2.715
  134   1HD   ARG  19          1HD       ARG  19  -3.326   1.298  -4.394
  135   2HD   ARG  19          2HD       ARG  19  -4.594   0.411  -5.237
  136    HE   ARG  19           HE       ARG  19  -5.277   3.051  -5.510
  137   1HH1  ARG  19          1HH1      ARG  19  -2.467   1.126  -6.321
  138   2HH1  ARG  19          2HH1      ARG  19  -2.042   2.101  -7.686
  139   1HH2  ARG  19          1HH2      ARG  19  -4.714   4.330  -7.309
  140   2HH2  ARG  19          2HH2      ARG  19  -3.318   3.920  -8.248
  141    HA   PRO  20           HA       PRO  20  -7.574  -1.511   0.555
  142   1HB   PRO  20          1HB       PRO  20  -7.463  -3.917  -1.118
  143   2HB   PRO  20          2HB       PRO  20  -8.629  -3.478   0.132
  144   1HG   PRO  20          1HG       PRO  20  -9.280  -3.522  -2.483
  145   2HG   PRO  20          2HG       PRO  20  -9.996  -2.364  -1.347
  146   1HD   PRO  20          1HD       PRO  20  -7.785  -1.953  -3.329
  147   2HD   PRO  20          2HD       PRO  20  -9.154  -0.891  -2.932
  148    HA   PRO  21           HA       PRO  21  -3.274  -2.493   0.823
  149   1HB   PRO  21          1HB       PRO  21  -3.219  -4.950   2.048
  150   2HB   PRO  21          2HB       PRO  21  -3.519  -3.429   2.895
  151   1HG   PRO  21          1HG       PRO  21  -5.474  -5.469   1.912
  152   2HG   PRO  21          2HG       PRO  21  -5.459  -4.579   3.447
  153   1HD   PRO  21          1HD       PRO  21  -7.078  -3.873   1.424
  154   2HD   PRO  21          2HD       PRO  21  -6.334  -2.660   2.489
  155    HA   PRO  22           HA       PRO  22  -2.144  -5.019  -2.644
  156   1HB   PRO  22          1HB       PRO  22   0.565  -5.268  -1.585
  157   2HB   PRO  22          2HB       PRO  22  -0.007  -4.338  -2.970
  158   1HG   PRO  22          1HG       PRO  22   0.876  -3.178  -0.685
  159   2HG   PRO  22          2HG       PRO  22  -0.362  -2.447  -1.722
  160   1HD   PRO  22          1HD       PRO  22  -0.694  -3.986   0.828
  161   2HD   PRO  22          2HD       PRO  22  -1.522  -2.510   0.286
  162    H    SER  23           H        SER  23  -3.507  -6.750  -1.552
  163    HA   SER  23           HA       SER  23  -3.847  -8.931  -1.045
  164   1HB   SER  23          1HB       SER  23  -0.945  -9.237  -1.865
  165   2HB   SER  23          2HB       SER  23  -2.082 -10.564  -1.631
  166    HG   SER  23           HG       SER  23  -1.933  -8.681  -3.684
  Start of MODEL    3
    1    H    ALA   1           H        ALA   1   4.443  -6.775  -5.820
    2    HA   ALA   1           HA       ALA   1   5.144  -8.444  -4.275
    3   1HB   ALA   1          1HB       ALA   1   7.572  -7.722  -4.406
    4   2HB   ALA   1          2HB       ALA   1   6.962  -8.154  -2.809
    5   3HB   ALA   1          3HB       ALA   1   7.152  -6.458  -3.250
    6    H    LEU   2           H        LEU   2   4.307  -8.430  -2.138
    7    HA   LEU   2           HA       LEU   2   2.337  -6.452  -1.666
    8   1HB   LEU   2          1HB       LEU   2   2.179  -8.832  -0.953
    9   2HB   LEU   2          2HB       LEU   2   3.402  -8.518   0.262
   10    HG   LEU   2           HG       LEU   2   1.035  -6.750   0.350
   11   1HD1  LEU   2          1HD1      LEU   2   0.811  -9.600   1.290
   12   2HD1  LEU   2          2HD1      LEU   2   0.099  -9.005  -0.209
   13   3HD1  LEU   2          3HD1      LEU   2  -0.427  -8.344   1.339
   14   1HD2  LEU   2          1HD2      LEU   2   2.577  -8.290   2.435
   15   2HD2  LEU   2          2HD2      LEU   2   1.315  -7.101   2.754
   16   3HD2  LEU   2          3HD2      LEU   2   2.827  -6.601   1.996
   17    H    GLN   3           H        GLN   3   5.449  -7.143  -0.086
   18    HA   GLN   3           HA       GLN   3   5.264  -5.111   1.869
   19   1HB   GLN   3          1HB       GLN   3   6.816  -7.068   1.958
   20   2HB   GLN   3          2HB       GLN   3   7.778  -6.311   0.697
   21   1HG   GLN   3          1HG       GLN   3   8.128  -4.371   2.202
   22   2HG   GLN   3          2HG       GLN   3   7.282  -5.256   3.471
   23   1HE2  GLN   3          1HE2      GLN   3  10.087  -5.337   1.335
   24   2HE2  GLN   3          2HE2      GLN   3  11.071  -6.315   2.369
   25    H    GLU   4           H        GLU   4   6.831  -5.185  -1.326
   26    HA   GLU   4           HA       GLU   4   7.947  -2.601  -1.203
   27   1HB   GLU   4          1HB       GLU   4   7.319  -4.521  -3.406
   28   2HB   GLU   4          2HB       GLU   4   7.748  -2.867  -3.822
   29   1HG   GLU   4          1HG       GLU   4   9.691  -4.317  -3.893
   30   2HG   GLU   4          2HG       GLU   4   9.859  -3.099  -2.630
   31    H    LEU   5           H        LEU   5   4.867  -3.753  -2.570
   32    HA   LEU   5           HA       LEU   5   4.015  -1.222  -3.511
   33   1HB   LEU   5          1HB       LEU   5   3.138  -3.551  -4.135
   34   2HB   LEU   5          2HB       LEU   5   2.168  -3.444  -2.679
   35    HG   LEU   5           HG       LEU   5   2.018  -1.272  -4.740
   36   1HD1  LEU   5          1HD1      LEU   5   0.429  -3.833  -4.800
   37   2HD1  LEU   5          2HD1      LEU   5   1.705  -3.396  -5.936
   38   3HD1  LEU   5          3HD1      LEU   5   0.224  -2.443  -5.864
   39   1HD2  LEU   5          1HD2      LEU   5   0.478  -0.493  -3.348
   40   2HD2  LEU   5          2HD2      LEU   5   0.742  -1.863  -2.269
   41   3HD2  LEU   5          3HD2      LEU   5  -0.462  -1.971  -3.554
   42    H    LEU   6           H        LEU   6   3.762  -2.828  -0.400
   43    HA   LEU   6           HA       LEU   6   1.739  -1.340   0.803
   44   1HB   LEU   6          1HB       LEU   6   3.419  -3.305   1.583
   45   2HB   LEU   6          2HB       LEU   6   4.049  -1.969   2.510
   46    HG   LEU   6           HG       LEU   6   2.449  -3.260   3.818
   47   1HD1  LEU   6          1HD1      LEU   6   2.621  -0.877   4.258
   48   2HD1  LEU   6          2HD1      LEU   6   0.968  -1.438   4.502
   49   3HD1  LEU   6          3HD1      LEU   6   1.389  -0.548   3.040
   50   1HD2  LEU   6          1HD2      LEU   6   0.105  -3.380   3.210
   51   2HD2  LEU   6          2HD2      LEU   6   1.103  -4.115   1.954
   52   3HD2  LEU   6          3HD2      LEU   6   0.427  -2.503   1.714
   53    H    GLY   7           H        GLY   7   5.241  -0.670   0.675
   54   1HA   GLY   7          1HA       GLY   7   5.183   1.680   2.221
   55   2HA   GLY   7          2HA       GLY   7   6.400   1.281   1.027
   56    H    GLN   8           H        GLN   8   4.431   1.071  -1.136
   57    HA   GLN   8           HA       GLN   8   4.357   3.877  -1.868
   58   1HB   GLN   8          1HB       GLN   8   3.847   1.286  -3.226
   59   2HB   GLN   8          2HB       GLN   8   2.933   2.660  -3.829
   60   1HG   GLN   8          1HG       GLN   8   4.954   2.380  -5.108
   61   2HG   GLN   8          2HG       GLN   8   5.024   3.883  -4.190
   62   1HE2  GLN   8          1HE2      GLN   8   6.535   4.118  -2.575
   63   2HE2  GLN   8          2HE2      GLN   8   7.815   2.985  -2.311
   64    H    TRP   9           H        TRP   9   2.147   1.329  -0.979
   65    HA   TRP   9           HA       TRP   9  -0.306   2.685  -1.289
   66   1HB   TRP   9          1HB       TRP   9  -0.019   0.229  -1.099
   67   2HB   TRP   9          2HB       TRP   9   0.461   0.431   0.577
   68    HD1  TRP   9           HD1      TRP   9  -2.585   1.826  -1.365
   69    HE1  TRP   9           HE1      TRP   9  -4.702   1.250  -0.004
   70    HE3  TRP   9           HE3      TRP   9  -0.394  -0.751   2.429
   71    HZ2  TRP   9           HZ2      TRP   9  -5.329  -0.120   2.395
   72    HZ3  TRP   9           HZ3      TRP   9  -1.804  -1.655   4.230
   73    HH2  TRP   9           HH2      TRP   9  -4.223  -1.336   4.207
   74    H    LEU  10           H        LEU  10   1.965   2.295   1.370
   75    HA   LEU  10           HA       LEU  10   0.397   3.622   3.343
   76   1HB   LEU  10          1HB       LEU  10   2.474   2.028   3.558
   77   2HB   LEU  10          2HB       LEU  10   3.381   3.526   3.478
   78    HG   LEU  10           HG       LEU  10   1.723   4.253   5.403
   79   1HD1  LEU  10          1HD1      LEU  10   0.384   2.195   5.275
   80   2HD1  LEU  10          2HD1      LEU  10   1.124   2.414   6.860
   81   3HD1  LEU  10          3HD1      LEU  10   1.808   1.255   5.719
   82   1HD2  LEU  10          1HD2      LEU  10   4.133   4.170   5.623
   83   2HD2  LEU  10          2HD2      LEU  10   4.082   2.415   5.796
   84   3HD2  LEU  10          3HD2      LEU  10   3.374   3.445   7.040
   85    H    LYS  11           H        LYS  11   2.817   4.686   1.015
   86    HA   LYS  11           HA       LYS  11   3.403   7.221   1.983
   87   1HB   LYS  11          1HB       LYS  11   4.159   5.833  -0.195
   88   2HB   LYS  11          2HB       LYS  11   3.033   6.950  -0.953
   89   1HG   LYS  11          1HG       LYS  11   4.287   8.833  -0.237
   90   2HG   LYS  11          2HG       LYS  11   5.291   7.840   0.821
   91   1HD   LYS  11          1HD       LYS  11   6.433   6.872  -0.976
   92   2HD   LYS  11          2HD       LYS  11   5.193   7.351  -2.138
   93   1HE   LYS  11          1HE       LYS  11   5.932   9.773  -1.265
   94   2HE   LYS  11          2HE       LYS  11   7.443   8.903  -1.003
   95   1HZ   LYS  11          1HZ       LYS  11   7.397   8.217  -3.330
   96   2HZ   LYS  11          2HZ       LYS  11   7.390   9.903  -3.191
   97   3HZ   LYS  11          3HZ       LYS  11   5.962   9.081  -3.573
   98    H    ASP  12           H        ASP  12   0.695   6.167  -0.054
   99    HA   ASP  12           HA       ASP  12  -0.441   8.778  -0.317
  100   1HB   ASP  12          1HB       ASP  12  -0.778   6.744  -1.858
  101   2HB   ASP  12          2HB       ASP  12  -1.944   6.184  -0.667
  102    H    GLY  13           H        GLY  13  -0.970   6.017   1.823
  103   1HA   GLY  13          1HA       GLY  13  -1.596   6.992   4.146
  104   2HA   GLY  13          2HA       GLY  13  -3.034   7.517   3.285
  105    H    GLY  14           H        GLY  14  -1.253   4.456   3.001
  106   1HA   GLY  14          1HA       GLY  14  -2.029   2.301   2.978
  107   2HA   GLY  14          2HA       GLY  14  -2.585   2.747   4.581
  108    HA   PRO  15           HA       PRO  15  -6.440   1.142   2.806
  109   1HB   PRO  15          1HB       PRO  15  -7.248   2.090   5.511
  110   2HB   PRO  15          2HB       PRO  15  -7.624   0.575   4.700
  111   1HG   PRO  15          1HG       PRO  15  -5.796   0.657   6.624
  112   2HG   PRO  15          2HG       PRO  15  -5.529  -0.333   5.176
  113   1HD   PRO  15          1HD       PRO  15  -4.334   2.307   5.908
  114   2HD   PRO  15          2HD       PRO  15  -3.604   0.938   5.053
  115    H    SER  16           H        SER  16  -6.131   4.165   4.657
  116    HA   SER  16           HA       SER  16  -8.537   5.304   3.739
  117   1HB   SER  16          1HB       SER  16  -7.090   5.988   5.761
  118   2HB   SER  16          2HB       SER  16  -6.157   6.935   4.603
  119    HG   SER  16           HG       SER  16  -7.761   8.309   4.417
  120    H    SER  17           H        SER  17  -5.400   5.056   2.269
  121    HA   SER  17           HA       SER  17  -5.172   7.200   0.606
  122   1HB   SER  17          1HB       SER  17  -3.852   5.853  -0.847
  123   2HB   SER  17          2HB       SER  17  -3.631   5.185   0.768
  124    HG   SER  17           HG       SER  17  -4.150   3.734  -1.150
  125    H    GLY  18           H        GLY  18  -7.246   4.366   0.075
  126   1HA   GLY  18          1HA       GLY  18  -9.426   5.352  -1.032
  127   2HA   GLY  18          2HA       GLY  18  -8.313   5.556  -2.377
  128    H    ARG  19           H        ARG  19  -6.800   3.194  -2.013
  129    HA   ARG  19           HA       ARG  19  -8.809   1.156  -2.712
  130   1HB   ARG  19          1HB       ARG  19  -7.060   0.120  -4.106
  131   2HB   ARG  19          2HB       ARG  19  -7.421   1.763  -4.613
  132   1HG   ARG  19          1HG       ARG  19  -5.348   2.489  -4.172
  133   2HG   ARG  19          2HG       ARG  19  -5.228   1.551  -2.682
  134   1HD   ARG  19          1HD       ARG  19  -3.597   0.794  -4.333
  135   2HD   ARG  19          2HD       ARG  19  -4.776  -0.466  -3.977
  136    HE   ARG  19           HE       ARG  19  -5.502  -0.365  -6.146
  137   1HH1  ARG  19          1HH1      ARG  19  -3.526   2.456  -5.501
  138   2HH1  ARG  19          2HH1      ARG  19  -3.488   2.959  -7.156
  139   1HH2  ARG  19          1HH2      ARG  19  -5.448   0.305  -8.324
  140   2HH2  ARG  19          2HH2      ARG  19  -4.580   1.739  -8.759
  141    HA   PRO  20           HA       PRO  20  -7.406  -1.487   0.530
  142   1HB   PRO  20          1HB       PRO  20  -7.375  -3.805  -1.277
  143   2HB   PRO  20          2HB       PRO  20  -8.429  -3.473   0.100
  144   1HG   PRO  20          1HG       PRO  20  -9.331  -3.392  -2.433
  145   2HG   PRO  20          2HG       PRO  20  -9.955  -2.309  -1.175
  146   1HD   PRO  20          1HD       PRO  20  -7.959  -1.749  -3.339
  147   2HD   PRO  20          2HD       PRO  20  -9.298  -0.739  -2.752
  148    HA   PRO  21           HA       PRO  21  -3.069  -2.308   0.435
  149   1HB   PRO  21          1HB       PRO  21  -2.872  -4.821   1.552
  150   2HB   PRO  21          2HB       PRO  21  -3.078  -3.329   2.471
  151   1HG   PRO  21          1HG       PRO  21  -5.120  -5.353   1.657
  152   2HG   PRO  21          2HG       PRO  21  -4.961  -4.473   3.189
  153   1HD   PRO  21          1HD       PRO  21  -6.774  -3.770   1.336
  154   2HD   PRO  21          2HD       PRO  21  -5.944  -2.558   2.337
  155    HA   PRO  22           HA       PRO  22  -1.792  -4.535  -3.144
  156   1HB   PRO  22          1HB       PRO  22   0.547  -5.720  -2.237
  157   2HB   PRO  22          2HB       PRO  22   0.407  -4.061  -2.822
  158   1HG   PRO  22          1HG       PRO  22   0.420  -5.087  -0.018
  159   2HG   PRO  22          2HG       PRO  22   1.182  -3.631  -0.685
  160   1HD   PRO  22          1HD       PRO  22  -1.090  -3.488   0.722
  161   2HD   PRO  22          2HD       PRO  22  -0.811  -2.441  -0.682
  162    H    SER  23           H        SER  23  -3.526  -6.022  -3.114
  163    HA   SER  23           HA       SER  23  -2.670  -8.761  -2.753
  164   1HB   SER  23          1HB       SER  23  -3.763  -7.868  -0.556
  165   2HB   SER  23          2HB       SER  23  -5.275  -8.029  -1.449
  166    HG   SER  23           HG       SER  23  -5.071 -10.162  -1.451
  Start of MODEL    4
    1    H    ALA   1           H        ALA   1   3.995  -8.990  -5.125
    2    HA   ALA   1           HA       ALA   1   5.833  -8.556  -3.692
    3   1HB   ALA   1          1HB       ALA   1   5.991  -5.904  -5.122
    4   2HB   ALA   1          2HB       ALA   1   7.153  -7.222  -5.269
    5   3HB   ALA   1          3HB       ALA   1   6.948  -6.395  -3.725
    6    H    LEU   2           H        LEU   2   4.911  -8.251  -1.777
    7    HA   LEU   2           HA       LEU   2   2.528  -6.569  -1.593
    8   1HB   LEU   2          1HB       LEU   2   3.306  -9.031  -0.445
    9   2HB   LEU   2          2HB       LEU   2   3.196  -7.880   0.872
   10    HG   LEU   2           HG       LEU   2   0.875  -7.349  -0.418
   11   1HD1  LEU   2          1HD1      LEU   2  -0.168  -9.446  -1.061
   12   2HD1  LEU   2          2HD1      LEU   2   1.339 -10.309  -0.754
   13   3HD1  LEU   2          3HD1      LEU   2   1.248  -9.127  -2.061
   14   1HD2  LEU   2          1HD2      LEU   2   1.339  -9.486   1.659
   15   2HD2  LEU   2          2HD2      LEU   2  -0.207  -8.711   1.307
   16   3HD2  LEU   2          3HD2      LEU   2   1.127  -7.762   1.965
   17    H    GLN   3           H        GLN   3   5.633  -7.030   0.096
   18    HA   GLN   3           HA       GLN   3   5.339  -4.893   1.905
   19   1HB   GLN   3          1HB       GLN   3   7.122  -6.880   1.688
   20   2HB   GLN   3          2HB       GLN   3   8.068  -5.596   0.949
   21   1HG   GLN   3          1HG       GLN   3   6.762  -5.295   3.636
   22   2HG   GLN   3          2HG       GLN   3   8.377  -5.970   3.431
   23   1HE2  GLN   3          1HE2      GLN   3   6.562  -3.156   3.787
   24   2HE2  GLN   3          2HE2      GLN   3   7.808  -2.007   3.436
   25    H    GLU   4           H        GLU   4   6.941  -5.055  -1.272
   26    HA   GLU   4           HA       GLU   4   7.912  -2.425  -1.325
   27   1HB   GLU   4          1HB       GLU   4   7.134  -4.314  -3.545
   28   2HB   GLU   4          2HB       GLU   4   7.854  -2.739  -3.847
   29   1HG   GLU   4          1HG       GLU   4   9.839  -3.384  -2.607
   30   2HG   GLU   4          2HG       GLU   4   9.116  -4.947  -2.235
   31    H    LEU   5           H        LEU   5   4.831  -3.773  -2.481
   32    HA   LEU   5           HA       LEU   5   3.822  -1.327  -3.509
   33   1HB   LEU   5          1HB       LEU   5   3.016  -3.984  -3.501
   34   2HB   LEU   5          2HB       LEU   5   1.755  -3.131  -2.630
   35    HG   LEU   5           HG       LEU   5   1.388  -3.358  -5.093
   36   1HD1  LEU   5          1HD1      LEU   5   0.214  -1.686  -3.767
   37   2HD1  LEU   5          2HD1      LEU   5   0.568  -1.086  -5.387
   38   3HD1  LEU   5          3HD1      LEU   5   1.544  -0.556  -4.018
   39   1HD2  LEU   5          1HD2      LEU   5   2.638  -2.163  -6.658
   40   2HD2  LEU   5          2HD2      LEU   5   3.848  -2.891  -5.601
   41   3HD2  LEU   5          3HD2      LEU   5   3.422  -1.189  -5.415
   42    H    LEU   6           H        LEU   6   3.770  -2.817  -0.339
   43    HA   LEU   6           HA       LEU   6   1.724  -1.320   0.868
   44   1HB   LEU   6          1HB       LEU   6   3.725  -3.161   1.649
   45   2HB   LEU   6          2HB       LEU   6   3.799  -1.813   2.753
   46    HG   LEU   6           HG       LEU   6   2.347  -3.762   3.457
   47   1HD1  LEU   6          1HD1      LEU   6   0.418  -2.185   4.104
   48   2HD1  LEU   6          2HD1      LEU   6   1.379  -0.934   3.315
   49   3HD1  LEU   6          3HD1      LEU   6   2.042  -1.822   4.687
   50   1HD2  LEU   6          1HD2      LEU   6   1.366  -4.056   1.148
   51   2HD2  LEU   6          2HD2      LEU   6   0.380  -2.634   1.484
   52   3HD2  LEU   6          3HD2      LEU   6   0.218  -4.076   2.486
   53    H    GLY   7           H        GLY   7   5.218  -0.687   0.593
   54   1HA   GLY   7          1HA       GLY   7   5.258   1.659   2.160
   55   2HA   GLY   7          2HA       GLY   7   6.430   1.236   0.926
   56    H    GLN   8           H        GLN   8   4.573   1.096  -1.246
   57    HA   GLN   8           HA       GLN   8   4.455   3.896  -1.934
   58   1HB   GLN   8          1HB       GLN   8   4.930   2.206  -3.653
   59   2HB   GLN   8          2HB       GLN   8   3.364   1.459  -3.370
   60   1HG   GLN   8          1HG       GLN   8   3.322   2.798  -5.382
   61   2HG   GLN   8          2HG       GLN   8   2.250   3.481  -4.162
   62   1HE2  GLN   8          1HE2      GLN   8   2.542   5.541  -3.528
   63   2HE2  GLN   8          2HE2      GLN   8   3.838   6.558  -4.057
   64    H    TRP   9           H        TRP   9   2.224   1.352  -1.081
   65    HA   TRP   9           HA       TRP   9  -0.224   2.706  -1.357
   66   1HB   TRP   9          1HB       TRP   9   0.091   0.255  -1.155
   67   2HB   TRP   9          2HB       TRP   9   0.563   0.472   0.520
   68    HD1  TRP   9           HD1      TRP   9  -2.500   1.872  -1.396
   69    HE1  TRP   9           HE1      TRP   9  -4.607   1.234  -0.051
   70    HE3  TRP   9           HE3      TRP   9  -0.269  -0.793   2.311
   71    HZ2  TRP   9           HZ2      TRP   9  -5.214  -0.214   2.314
   72    HZ3  TRP   9           HZ3      TRP   9  -1.663  -1.766   4.088
   73    HH2  TRP   9           HH2      TRP   9  -4.085  -1.472   4.084
   74    H    LEU  10           H        LEU  10   2.069   2.364   1.285
   75    HA   LEU  10           HA       LEU  10   0.517   3.657   3.280
   76   1HB   LEU  10          1HB       LEU  10   2.449   2.132   3.703
   77   2HB   LEU  10          2HB       LEU  10   3.520   3.403   3.146
   78    HG   LEU  10           HG       LEU  10   2.585   4.851   5.005
   79   1HD1  LEU  10          1HD1      LEU  10   0.549   3.632   5.459
   80   2HD1  LEU  10          2HD1      LEU  10   1.569   3.642   6.898
   81   3HD1  LEU  10          3HD1      LEU  10   1.472   2.194   5.896
   82   1HD2  LEU  10          1HD2      LEU  10   4.036   2.329   5.800
   83   2HD2  LEU  10          2HD2      LEU  10   4.014   3.850   6.694
   84   3HD2  LEU  10          3HD2      LEU  10   4.783   3.769   5.109
   85    H    LYS  11           H        LYS  11   2.866   4.810   0.907
   86    HA   LYS  11           HA       LYS  11   3.368   7.365   1.853
   87   1HB   LYS  11          1HB       LYS  11   4.274   6.116  -0.248
   88   2HB   LYS  11          2HB       LYS  11   2.924   6.878  -1.078
   89   1HG   LYS  11          1HG       LYS  11   3.766   9.082  -0.320
   90   2HG   LYS  11          2HG       LYS  11   5.173   8.265   0.365
   91   1HD   LYS  11          1HD       LYS  11   4.452   7.833  -2.505
   92   2HD   LYS  11          2HD       LYS  11   5.299   9.305  -2.026
   93   1HE   LYS  11          1HE       LYS  11   7.164   8.093  -2.287
   94   2HE   LYS  11          2HE       LYS  11   6.739   7.377  -0.734
   95   1HZ   LYS  11          1HZ       LYS  11   6.180   6.291  -3.436
   96   2HZ   LYS  11          2HZ       LYS  11   5.481   5.666  -2.026
   97   3HZ   LYS  11          3HZ       LYS  11   7.159   5.616  -2.232
   98    H    ASP  12           H        ASP  12   0.641   6.206  -0.091
   99    HA   ASP  12           HA       ASP  12  -0.602   8.776  -0.306
  100   1HB   ASP  12          1HB       ASP  12  -0.888   6.738  -1.857
  101   2HB   ASP  12          2HB       ASP  12  -2.008   6.129  -0.648
  102    H    GLY  13           H        GLY  13  -0.976   5.957   1.794
  103   1HA   GLY  13          1HA       GLY  13  -1.560   6.844   4.154
  104   2HA   GLY  13          2HA       GLY  13  -3.030   7.373   3.353
  105    H    GLY  14           H        GLY  14  -1.214   4.351   2.919
  106   1HA   GLY  14          1HA       GLY  14  -1.970   2.190   2.841
  107   2HA   GLY  14          2HA       GLY  14  -2.462   2.571   4.481
  108    HA   PRO  15           HA       PRO  15  -6.375   0.979   2.846
  109   1HB   PRO  15          1HB       PRO  15  -7.087   1.882   5.593
  110   2HB   PRO  15          2HB       PRO  15  -7.484   0.376   4.774
  111   1HG   PRO  15          1HG       PRO  15  -5.583   0.433   6.621
  112   2HG   PRO  15          2HG       PRO  15  -5.358  -0.516   5.138
  113   1HD   PRO  15          1HD       PRO  15  -4.182   2.130   5.885
  114   2HD   PRO  15          2HD       PRO  15  -3.453   0.789   4.989
  115    H    SER  16           H        SER  16  -6.050   3.997   4.719
  116    HA   SER  16           HA       SER  16  -8.510   5.071   3.793
  117   1HB   SER  16          1HB       SER  16  -7.953   7.042   4.993
  118   2HB   SER  16          2HB       SER  16  -7.282   5.708   5.931
  119    HG   SER  16           HG       SER  16  -5.996   7.726   4.534
  120    H    SER  17           H        SER  17  -5.435   4.830   2.317
  121    HA   SER  17           HA       SER  17  -5.172   7.137   0.818
  122   1HB   SER  17          1HB       SER  17  -3.763   5.908  -0.640
  123   2HB   SER  17          2HB       SER  17  -3.590   5.135   0.934
  124    HG   SER  17           HG       SER  17  -4.926   3.485   0.243
  125    H    GLY  18           H        GLY  18  -7.266   4.357   0.236
  126   1HA   GLY  18          1HA       GLY  18  -9.414   5.172  -0.908
  127   2HA   GLY  18          2HA       GLY  18  -8.314   5.653  -2.194
  128    H    ARG  19           H        ARG  19  -6.551   3.430  -2.014
  129    HA   ARG  19           HA       ARG  19  -8.222   1.399  -3.296
  130   1HB   ARG  19          1HB       ARG  19  -6.191   0.566  -4.289
  131   2HB   ARG  19          2HB       ARG  19  -6.233   2.310  -4.497
  132   1HG   ARG  19          1HG       ARG  19  -4.638   2.622  -2.736
  133   2HG   ARG  19          2HG       ARG  19  -4.696   0.909  -2.319
  134   1HD   ARG  19          1HD       ARG  19  -3.787   1.970  -4.989
  135   2HD   ARG  19          2HD       ARG  19  -2.699   1.593  -3.657
  136    HE   ARG  19           HE       ARG  19  -3.141  -0.689  -3.955
  137   1HH1  ARG  19          1HH1      ARG  19  -4.903   1.265  -6.274
  138   2HH1  ARG  19          2HH1      ARG  19  -5.240  -0.071  -7.321
  139   1HH2  ARG  19          1HH2      ARG  19  -3.592  -2.437  -5.343
  140   2HH2  ARG  19          2HH2      ARG  19  -4.499  -2.169  -6.794
  141    HA   PRO  20           HA       PRO  20  -7.795  -1.470   0.040
  142   1HB   PRO  20          1HB       PRO  20  -7.810  -3.845  -1.258
  143   2HB   PRO  20          2HB       PRO  20  -9.251  -2.831  -1.120
  144   1HG   PRO  20          1HG       PRO  20  -7.353  -3.122  -3.415
  145   2HG   PRO  20          2HG       PRO  20  -9.124  -3.037  -3.430
  146   1HD   PRO  20          1HD       PRO  20  -7.532  -0.910  -4.012
  147   2HD   PRO  20          2HD       PRO  20  -9.139  -0.743  -3.278
  148    HA   PRO  21           HA       PRO  21  -3.579  -2.503   0.851
  149   1HB   PRO  21          1HB       PRO  21  -4.549  -5.175   1.731
  150   2HB   PRO  21          2HB       PRO  21  -3.549  -3.998   2.590
  151   1HG   PRO  21          1HG       PRO  21  -6.125  -4.339   3.209
  152   2HG   PRO  21          2HG       PRO  21  -5.369  -2.738   3.254
  153   1HD   PRO  21          1HD       PRO  21  -7.243  -3.892   1.250
  154   2HD   PRO  21          2HD       PRO  21  -7.072  -2.216   1.805
  155    HA   PRO  22           HA       PRO  22  -2.125  -4.379  -2.915
  156   1HB   PRO  22          1HB       PRO  22   0.127  -5.065  -1.061
  157   2HB   PRO  22          2HB       PRO  22   0.183  -4.399  -2.699
  158   1HG   PRO  22          1HG       PRO  22   0.530  -2.824  -0.584
  159   2HG   PRO  22          2HG       PRO  22  -0.388  -2.266  -1.995
  160   1HD   PRO  22          1HD       PRO  22  -1.357  -3.063   0.694
  161   2HD   PRO  22          2HD       PRO  22  -2.060  -1.930  -0.473
  162    H    SER  23           H        SER  23  -3.594  -6.081  -3.050
  163    HA   SER  23           HA       SER  23  -3.252  -8.489  -1.514
  164   1HB   SER  23          1HB       SER  23  -5.026  -9.383  -3.099
  165   2HB   SER  23          2HB       SER  23  -5.493  -7.976  -2.145
  166    HG   SER  23           HG       SER  23  -5.684  -6.856  -3.917
  Start of MODEL    5
    1    H    ALA   1           H        ALA   1   4.042  -8.310  -5.702
    2    HA   ALA   1           HA       ALA   1   5.677  -8.480  -3.989
    3   1HB   ALA   1          1HB       ALA   1   7.452  -7.218  -5.097
    4   2HB   ALA   1          2HB       ALA   1   7.128  -6.585  -3.484
    5   3HB   ALA   1          3HB       ALA   1   6.521  -5.732  -4.903
    6    H    LEU   2           H        LEU   2   4.395  -8.380  -2.276
    7    HA   LEU   2           HA       LEU   2   2.281  -6.434  -2.091
    8   1HB   LEU   2          1HB       LEU   2   3.111  -8.431   0.010
    9   2HB   LEU   2          2HB       LEU   2   1.561  -7.628  -0.138
   10    HG   LEU   2           HG       LEU   2   2.678  -9.823  -1.870
   11   1HD1  LEU   2          1HD1      LEU   2   0.124  -9.601  -0.287
   12   2HD1  LEU   2          2HD1      LEU   2   1.572 -10.465   0.227
   13   3HD1  LEU   2          3HD1      LEU   2   0.680 -11.007  -1.195
   14   1HD2  LEU   2          1HD2      LEU   2   0.146  -9.350  -2.806
   15   2HD2  LEU   2          2HD2      LEU   2   1.641  -8.861  -3.603
   16   3HD2  LEU   2          3HD2      LEU   2   0.777  -7.720  -2.573
   17    H    GLN   3           H        GLN   3   5.192  -7.192  -0.180
   18    HA   GLN   3           HA       GLN   3   4.873  -5.099   1.692
   19   1HB   GLN   3          1HB       GLN   3   6.394  -7.175   1.823
   20   2HB   GLN   3          2HB       GLN   3   7.542  -6.232   0.883
   21   1HG   GLN   3          1HG       GLN   3   7.013  -4.462   2.817
   22   2HG   GLN   3          2HG       GLN   3   6.713  -5.958   3.702
   23   1HE2  GLN   3          1HE2      GLN   3   8.406  -7.226   4.298
   24   2HE2  GLN   3          2HE2      GLN   3  10.063  -6.817   4.014
   25    H    GLU   4           H        GLU   4   6.563  -5.287  -1.413
   26    HA   GLU   4           HA       GLU   4   7.886  -2.807  -1.278
   27   1HB   GLU   4          1HB       GLU   4   8.087  -4.801  -2.981
   28   2HB   GLU   4          2HB       GLU   4   6.887  -3.887  -3.885
   29   1HG   GLU   4          1HG       GLU   4   8.393  -1.945  -3.882
   30   2HG   GLU   4          2HG       GLU   4   9.602  -2.907  -3.033
   31    H    LEU   5           H        LEU   5   4.693  -3.703  -2.557
   32    HA   LEU   5           HA       LEU   5   4.036  -1.089  -3.473
   33   1HB   LEU   5          1HB       LEU   5   2.967  -3.561  -3.845
   34   2HB   LEU   5          2HB       LEU   5   1.816  -2.875  -2.715
   35    HG   LEU   5           HG       LEU   5   2.587  -1.650  -5.366
   36   1HD1  LEU   5          1HD1      LEU   5   1.237  -3.808  -5.393
   37   2HD1  LEU   5          2HD1      LEU   5   0.550  -2.419  -6.235
   38   3HD1  LEU   5          3HD1      LEU   5  -0.057  -2.873  -4.643
   39   1HD2  LEU   5          1HD2      LEU   5   0.600  -0.203  -4.913
   40   2HD2  LEU   5          2HD2      LEU   5   1.969   0.078  -3.838
   41   3HD2  LEU   5          3HD2      LEU   5   0.578  -0.845  -3.270
   42    H    LEU   6           H        LEU   6   3.763  -2.718  -0.397
   43    HA   LEU   6           HA       LEU   6   1.806  -1.211   0.880
   44   1HB   LEU   6          1HB       LEU   6   3.795  -3.073   1.587
   45   2HB   LEU   6          2HB       LEU   6   3.935  -1.742   2.705
   46    HG   LEU   6           HG       LEU   6   2.475  -3.636   3.470
   47   1HD1  LEU   6          1HD1      LEU   6   0.555  -2.062   4.120
   48   2HD1  LEU   6          2HD1      LEU   6   1.470  -0.822   3.262
   49   3HD1  LEU   6          3HD1      LEU   6   2.189  -1.650   4.642
   50   1HD2  LEU   6          1HD2      LEU   6   1.451  -4.101   1.269
   51   2HD2  LEU   6          2HD2      LEU   6   0.574  -2.576   1.386
   52   3HD2  LEU   6          3HD2      LEU   6   0.260  -3.864   2.548
   53    H    GLY   7           H        GLY   7   5.296  -0.555   0.585
   54   1HA   GLY   7          1HA       GLY   7   5.335   1.756   2.200
   55   2HA   GLY   7          2HA       GLY   7   6.500   1.367   0.950
   56    H    GLN   8           H        GLN   8   4.624   1.267  -1.210
   57    HA   GLN   8           HA       GLN   8   4.482   4.092  -1.812
   58   1HB   GLN   8          1HB       GLN   8   4.946   2.204  -3.487
   59   2HB   GLN   8          2HB       GLN   8   3.222   1.864  -3.419
   60   1HG   GLN   8          1HG       GLN   8   3.661   3.222  -5.331
   61   2HG   GLN   8          2HG       GLN   8   2.783   4.189  -4.148
   62   1HE2  GLN   8          1HE2      GLN   8   3.793   5.919  -3.165
   63   2HE2  GLN   8          2HE2      GLN   8   5.319   6.538  -3.700
   64    H    TRP   9           H        TRP   9   2.308   1.495  -1.002
   65    HA   TRP   9           HA       TRP   9  -0.170   2.799  -1.287
   66   1HB   TRP   9          1HB       TRP   9   0.195   0.348  -1.114
   67   2HB   TRP   9          2HB       TRP   9   0.644   0.558   0.569
   68    HD1  TRP   9           HD1      TRP   9  -2.418   1.918  -1.374
   69    HE1  TRP   9           HE1      TRP   9  -4.534   1.231  -0.062
   70    HE3  TRP   9           HE3      TRP   9  -0.195  -0.734   2.350
   71    HZ2  TRP   9           HZ2      TRP   9  -5.148  -0.249   2.278
   72    HZ3  TRP   9           HZ3      TRP   9  -1.600  -1.747   4.099
   73    HH2  TRP   9           HH2      TRP   9  -4.026  -1.495   4.059
   74    H    LEU  10           H        LEU  10   2.117   2.460   1.360
   75    HA   LEU  10           HA       LEU  10   0.525   3.707   3.357
   76   1HB   LEU  10          1HB       LEU  10   2.466   2.192   3.784
   77   2HB   LEU  10          2HB       LEU  10   3.532   3.479   3.258
   78    HG   LEU  10           HG       LEU  10   2.600   4.895   5.121
   79   1HD1  LEU  10          1HD1      LEU  10   1.360   2.266   5.915
   80   2HD1  LEU  10          2HD1      LEU  10   0.520   3.766   5.523
   81   3HD1  LEU  10          3HD1      LEU  10   1.511   3.666   6.977
   82   1HD2  LEU  10          1HD2      LEU  10   4.762   3.731   5.265
   83   2HD2  LEU  10          2HD2      LEU  10   3.945   2.325   5.946
   84   3HD2  LEU  10          3HD2      LEU  10   3.960   3.850   6.831
   85    H    LYS  11           H        LYS  11   2.905   4.908   1.041
   86    HA   LYS  11           HA       LYS  11   3.365   7.453   2.036
   87   1HB   LYS  11          1HB       LYS  11   3.448   6.203  -0.652
   88   2HB   LYS  11          2HB       LYS  11   3.393   7.960  -0.611
   89   1HG   LYS  11          1HG       LYS  11   5.348   7.815   1.019
   90   2HG   LYS  11          2HG       LYS  11   5.484   6.130   0.512
   91   1HD   LYS  11          1HD       LYS  11   6.403   6.684  -1.455
   92   2HD   LYS  11          2HD       LYS  11   5.249   7.992  -1.724
   93   1HE   LYS  11          1HE       LYS  11   6.618   9.242   0.084
   94   2HE   LYS  11          2HE       LYS  11   7.865   8.046  -0.266
   95   1HZ   LYS  11          1HZ       LYS  11   8.184  10.030  -1.585
   96   2HZ   LYS  11          2HZ       LYS  11   6.628   9.899  -2.232
   97   3HZ   LYS  11          3HZ       LYS  11   7.794   8.728  -2.595
   98    H    ASP  12           H        ASP  12   0.700   6.306  -0.006
   99    HA   ASP  12           HA       ASP  12  -0.547   8.872  -0.226
  100   1HB   ASP  12          1HB       ASP  12  -0.791   6.849  -1.805
  101   2HB   ASP  12          2HB       ASP  12  -1.940   6.227  -0.630
  102    H    GLY  13           H        GLY  13  -0.962   6.042   1.848
  103   1HA   GLY  13          1HA       GLY  13  -1.623   6.926   4.195
  104   2HA   GLY  13          2HA       GLY  13  -3.078   7.429   3.349
  105    H    GLY  14           H        GLY  14  -1.198   4.436   2.981
  106   1HA   GLY  14          1HA       GLY  14  -1.909   2.260   2.893
  107   2HA   GLY  14          2HA       GLY  14  -2.475   2.642   4.509
  108    HA   PRO  15           HA       PRO  15  -6.286   0.970   2.713
  109   1HB   PRO  15          1HB       PRO  15  -7.121   1.848   5.432
  110   2HB   PRO  15          2HB       PRO  15  -7.455   0.337   4.594
  111   1HG   PRO  15          1HG       PRO  15  -5.629   0.433   6.516
  112   2HG   PRO  15          2HG       PRO  15  -5.332  -0.516   5.047
  113   1HD   PRO  15          1HD       PRO  15  -4.223   2.146   5.835
  114   2HD   PRO  15          2HD       PRO  15  -3.447   0.818   4.959
  115    H    SER  16           H        SER  16  -6.120   3.978   4.627
  116    HA   SER  16           HA       SER  16  -8.553   5.017   3.637
  117   1HB   SER  16          1HB       SER  16  -8.065   6.978   4.841
  118   2HB   SER  16          2HB       SER  16  -7.272   5.702   5.762
  119    HG   SER  16           HG       SER  16  -5.323   6.357   5.010
  120    H    SER  17           H        SER  17  -5.393   4.891   2.261
  121    HA   SER  17           HA       SER  17  -5.185   7.134   0.695
  122   1HB   SER  17          1HB       SER  17  -3.716   5.915  -0.709
  123   2HB   SER  17          2HB       SER  17  -3.560   5.170   0.880
  124    HG   SER  17           HG       SER  17  -3.937   3.838  -1.189
  125    H    GLY  18           H        GLY  18  -7.111   4.230   0.040
  126   1HA   GLY  18          1HA       GLY  18  -9.282   5.088  -1.145
  127   2HA   GLY  18          2HA       GLY  18  -8.134   5.426  -2.432
  128    H    ARG  19           H        ARG  19  -6.467   3.219  -2.232
  129    HA   ARG  19           HA       ARG  19  -8.231   1.129  -3.265
  130   1HB   ARG  19          1HB       ARG  19  -6.193   0.149  -4.215
  131   2HB   ARG  19          2HB       ARG  19  -6.381   1.828  -4.699
  132   1HG   ARG  19          1HG       ARG  19  -4.605   2.541  -3.411
  133   2HG   ARG  19          2HG       ARG  19  -4.701   1.154  -2.325
  134   1HD   ARG  19          1HD       ARG  19  -2.842   0.605  -3.548
  135   2HD   ARG  19          2HD       ARG  19  -4.101  -0.192  -4.492
  136    HE   ARG  19           HE       ARG  19  -3.808   2.359  -5.539
  137   1HH1  ARG  19          1HH1      ARG  19  -1.836  -0.512  -5.175
  138   2HH1  ARG  19          2HH1      ARG  19  -0.886  -0.186  -6.584
  139   1HH2  ARG  19          1HH2      ARG  19  -2.552   2.782  -7.394
  140   2HH2  ARG  19          2HH2      ARG  19  -1.291   1.684  -7.844
  141    HA   PRO  20           HA       PRO  20  -7.777  -1.513   0.246
  142   1HB   PRO  20          1HB       PRO  20  -7.630  -3.829  -1.565
  143   2HB   PRO  20          2HB       PRO  20  -8.864  -3.415  -0.374
  144   1HG   PRO  20          1HG       PRO  20  -9.331  -3.244  -3.015
  145   2HG   PRO  20          2HG       PRO  20 -10.049  -2.105  -1.859
  146   1HD   PRO  20          1HD       PRO  20  -7.689  -1.735  -3.668
  147   2HD   PRO  20          2HD       PRO  20  -9.001  -0.602  -3.280
  148    HA   PRO  21           HA       PRO  21  -3.574  -2.572   1.067
  149   1HB   PRO  21          1HB       PRO  21  -4.552  -5.257   1.916
  150   2HB   PRO  21          2HB       PRO  21  -3.529  -4.107   2.783
  151   1HG   PRO  21          1HG       PRO  21  -6.095  -4.407   3.431
  152   2HG   PRO  21          2HG       PRO  21  -5.329  -2.808   3.450
  153   1HD   PRO  21          1HD       PRO  21  -7.224  -3.979   1.472
  154   2HD   PRO  21          2HD       PRO  21  -7.058  -2.301   2.020
  155    HA   PRO  22           HA       PRO  22  -2.358  -4.722  -2.664
  156   1HB   PRO  22          1HB       PRO  22   0.355  -4.579  -1.512
  157   2HB   PRO  22          2HB       PRO  22  -0.264  -3.895  -3.018
  158   1HG   PRO  22          1HG       PRO  22   0.329  -2.350  -0.907
  159   2HG   PRO  22          2HG       PRO  22  -1.025  -1.975  -1.989
  160   1HD   PRO  22          1HD       PRO  22  -1.062  -3.238   0.725
  161   2HD   PRO  22          2HD       PRO  22  -2.161  -2.035   0.026
  162    H    SER  23           H        SER  23  -3.453  -6.638  -1.710
  163    HA   SER  23           HA       SER  23  -1.563  -8.798  -1.429
  164   1HB   SER  23          1HB       SER  23  -2.765  -9.656   0.665
  165   2HB   SER  23          2HB       SER  23  -1.660  -8.299   0.886
  166    HG   SER  23           HG       SER  23  -3.310  -6.994   1.280
  Start of MODEL    6
    1    H    ALA   1           H        ALA   1   3.873  -8.290  -5.451
    2    HA   ALA   1           HA       ALA   1   6.211  -7.819  -3.726
    3   1HB   ALA   1          1HB       ALA   1   6.581  -6.483  -5.581
    4   2HB   ALA   1          2HB       ALA   1   5.689  -5.406  -4.506
    5   3HB   ALA   1          3HB       ALA   1   4.861  -6.197  -5.848
    6    H    LEU   2           H        LEU   2   5.377  -8.047  -1.726
    7    HA   LEU   2           HA       LEU   2   2.740  -6.939  -1.120
    8   1HB   LEU   2          1HB       LEU   2   4.444  -9.029   0.008
    9   2HB   LEU   2          2HB       LEU   2   3.749  -7.984   1.232
   10    HG   LEU   2           HG       LEU   2   2.385  -9.987   0.835
   11   1HD1  LEU   2          1HD1      LEU   2   0.297  -8.912   0.814
   12   2HD1  LEU   2          2HD1      LEU   2   0.893  -7.588  -0.186
   13   3HD1  LEU   2          3HD1      LEU   2   1.420  -7.733   1.491
   14   1HD2  LEU   2          1HD2      LEU   2   2.975 -10.205  -1.582
   15   2HD2  LEU   2          2HD2      LEU   2   1.873  -8.870  -1.917
   16   3HD2  LEU   2          3HD2      LEU   2   1.254 -10.373  -1.233
   17    H    GLN   3           H        GLN   3   5.994  -6.857   0.362
   18    HA   GLN   3           HA       GLN   3   5.432  -4.608   1.997
   19   1HB   GLN   3          1HB       GLN   3   7.239  -6.339   2.373
   20   2HB   GLN   3          2HB       GLN   3   8.164  -5.539   1.111
   21   1HG   GLN   3          1HG       GLN   3   7.178  -3.770   3.235
   22   2HG   GLN   3          2HG       GLN   3   8.350  -4.982   3.751
   23   1HE2  GLN   3          1HE2      GLN   3  10.414  -5.026   2.684
   24   2HE2  GLN   3          2HE2      GLN   3  11.056  -3.578   1.987
   25    H    GLU   4           H        GLU   4   7.016  -4.968  -1.159
   26    HA   GLU   4           HA       GLU   4   7.945  -2.351  -1.473
   27   1HB   GLU   4          1HB       GLU   4   6.956  -4.271  -3.591
   28   2HB   GLU   4          2HB       GLU   4   7.887  -2.815  -3.906
   29   1HG   GLU   4          1HG       GLU   4   9.814  -3.817  -3.431
   30   2HG   GLU   4          2HG       GLU   4   9.168  -4.548  -1.961
   31    H    LEU   5           H        LEU   5   4.831  -3.777  -2.469
   32    HA   LEU   5           HA       LEU   5   3.785  -1.341  -3.502
   33   1HB   LEU   5          1HB       LEU   5   3.037  -3.973  -3.630
   34   2HB   LEU   5          2HB       LEU   5   1.827  -3.308  -2.552
   35    HG   LEU   5           HG       LEU   5   2.440  -2.280  -5.325
   36   1HD1  LEU   5          1HD1      LEU   5   0.629  -3.429  -6.124
   37   2HD1  LEU   5          2HD1      LEU   5  -0.140  -3.543  -4.542
   38   3HD1  LEU   5          3HD1      LEU   5   1.236  -4.575  -4.929
   39   1HD2  LEU   5          1HD2      LEU   5   0.300  -1.495  -3.348
   40   2HD2  LEU   5          2HD2      LEU   5   0.424  -0.919  -5.011
   41   3HD2  LEU   5          3HD2      LEU   5   1.680  -0.512  -3.840
   42    H    LEU   6           H        LEU   6   3.732  -2.873  -0.341
   43    HA   LEU   6           HA       LEU   6   1.694  -1.385   0.883
   44   1HB   LEU   6          1HB       LEU   6   3.687  -3.222   1.653
   45   2HB   LEU   6          2HB       LEU   6   3.813  -1.863   2.737
   46    HG   LEU   6           HG       LEU   6   2.357  -3.746   3.539
   47   1HD1  LEU   6          1HD1      LEU   6   2.062  -1.734   4.664
   48   2HD1  LEU   6          2HD1      LEU   6   0.432  -2.160   4.146
   49   3HD1  LEU   6          3HD1      LEU   6   1.348  -0.939   3.262
   50   1HD2  LEU   6          1HD2      LEU   6   1.354  -4.177   1.273
   51   2HD2  LEU   6          2HD2      LEU   6   0.382  -2.725   1.512
   52   3HD2  LEU   6          3HD2      LEU   6   0.206  -4.094   2.608
   53    H    GLY   7           H        GLY   7   5.159  -0.706   0.508
   54   1HA   GLY   7          1HA       GLY   7   5.197   1.639   2.098
   55   2HA   GLY   7          2HA       GLY   7   6.370   1.215   0.868
   56    H    GLN   8           H        GLN   8   4.474   1.032  -1.284
   57    HA   GLN   8           HA       GLN   8   4.346   3.828  -1.997
   58   1HB   GLN   8          1HB       GLN   8   4.727   1.765  -3.556
   59   2HB   GLN   8          2HB       GLN   8   2.975   1.632  -3.535
   60   1HG   GLN   8          1HG       GLN   8   3.582   2.853  -5.474
   61   2HG   GLN   8          2HG       GLN   8   2.860   3.991  -4.337
   62   1HE2  GLN   8          1HE2      GLN   8   4.123   5.586  -3.417
   63   2HE2  GLN   8          2HE2      GLN   8   5.721   5.950  -3.972
   64    H    TRP   9           H        TRP   9   2.149   1.278  -1.081
   65    HA   TRP   9           HA       TRP   9  -0.312   2.620  -1.369
   66   1HB   TRP   9          1HB       TRP   9  -0.004   0.170  -1.167
   67   2HB   TRP   9          2HB       TRP   9   0.489   0.386   0.502
   68    HD1  TRP   9           HD1      TRP   9  -2.585   1.840  -1.353
   69    HE1  TRP   9           HE1      TRP   9  -4.682   1.198   0.009
   70    HE3  TRP   9           HE3      TRP   9  -0.343  -0.930   2.270
   71    HZ2  TRP   9           HZ2      TRP   9  -5.277  -0.291   2.345
   72    HZ3  TRP   9           HZ3      TRP   9  -1.728  -1.925   4.045
   73    HH2  TRP   9           HH2      TRP   9  -4.147  -1.601   4.075
   74    H    LEU  10           H        LEU  10   1.991   2.271   1.269
   75    HA   LEU  10           HA       LEU  10   0.438   3.594   3.250
   76   1HB   LEU  10          1HB       LEU  10   2.331   2.038   3.711
   77   2HB   LEU  10          2HB       LEU  10   3.437   3.274   3.141
   78    HG   LEU  10           HG       LEU  10   2.519   4.770   4.974
   79   1HD1  LEU  10          1HD1      LEU  10   0.460   3.608   5.443
   80   2HD1  LEU  10          2HD1      LEU  10   1.479   3.598   6.882
   81   3HD1  LEU  10          3HD1      LEU  10   1.346   2.149   5.887
   82   1HD2  LEU  10          1HD2      LEU  10   3.917   3.754   6.691
   83   2HD2  LEU  10          2HD2      LEU  10   4.698   3.664   5.112
   84   3HD2  LEU  10          3HD2      LEU  10   3.929   2.233   5.797
   85    H    LYS  11           H        LYS  11   2.760   4.685   0.842
   86    HA   LYS  11           HA       LYS  11   3.355   7.229   1.768
   87   1HB   LYS  11          1HB       LYS  11   4.111   5.894  -0.387
   88   2HB   LYS  11          2HB       LYS  11   2.834   6.830  -1.150
   89   1HG   LYS  11          1HG       LYS  11   4.498   8.296  -1.497
   90   2HG   LYS  11          2HG       LYS  11   4.118   8.795   0.153
   91   1HD   LYS  11          1HD       LYS  11   5.848   6.777   0.639
   92   2HD   LYS  11          2HD       LYS  11   6.467   7.360  -0.906
   93   1HE   LYS  11          1HE       LYS  11   6.714   9.586  -0.025
   94   2HE   LYS  11          2HE       LYS  11   5.935   9.116   1.486
   95   1HZ   LYS  11          1HZ       LYS  11   8.327   9.196   1.734
   96   2HZ   LYS  11          2HZ       LYS  11   8.532   8.085   0.475
   97   3HZ   LYS  11          3HZ       LYS  11   7.783   7.604   1.913
   98    H    ASP  12           H        ASP  12   0.582   6.150  -0.168
   99    HA   ASP  12           HA       ASP  12  -0.606   8.749  -0.335
  100   1HB   ASP  12          1HB       ASP  12  -0.961   6.826  -1.957
  101   2HB   ASP  12          2HB       ASP  12  -1.992   6.092  -0.743
  102    H    GLY  13           H        GLY  13  -0.953   5.955   1.787
  103   1HA   GLY  13          1HA       GLY  13  -1.548   6.848   4.134
  104   2HA   GLY  13          2HA       GLY  13  -3.022   7.370   3.335
  105    H    GLY  14           H        GLY  14  -1.217   4.342   2.901
  106   1HA   GLY  14          1HA       GLY  14  -1.966   2.178   2.860
  107   2HA   GLY  14          2HA       GLY  14  -2.464   2.580   4.494
  108    HA   PRO  15           HA       PRO  15  -6.361   0.962   2.826
  109   1HB   PRO  15          1HB       PRO  15  -7.078   1.823   5.585
  110   2HB   PRO  15          2HB       PRO  15  -7.465   0.326   4.746
  111   1HG   PRO  15          1HG       PRO  15  -5.563   0.381   6.596
  112   2HG   PRO  15          2HG       PRO  15  -5.341  -0.562   5.110
  113   1HD   PRO  15          1HD       PRO  15  -4.153   2.073   5.871
  114   2HD   PRO  15          2HD       PRO  15  -3.440   0.741   4.947
  115    H    SER  16           H        SER  16  -6.071   3.951   4.757
  116    HA   SER  16           HA       SER  16  -8.528   5.018   3.801
  117   1HB   SER  16          1HB       SER  16  -7.945   7.035   4.995
  118   2HB   SER  16          2HB       SER  16  -7.500   5.645   5.985
  119    HG   SER  16           HG       SER  16  -5.894   7.538   4.745
  120    H    SER  17           H        SER  17  -5.387   4.890   2.428
  121    HA   SER  17           HA       SER  17  -5.071   7.214   1.012
  122   1HB   SER  17          1HB       SER  17  -3.717   6.007  -0.521
  123   2HB   SER  17          2HB       SER  17  -3.538   5.189   1.025
  124    HG   SER  17           HG       SER  17  -4.776   3.536   0.301
  125    H    GLY  18           H        GLY  18  -7.036   4.410   0.051
  126   1HA   GLY  18          1HA       GLY  18  -9.218   5.494  -1.001
  127   2HA   GLY  18          2HA       GLY  18  -8.058   5.846  -2.273
  128    H    ARG  19           H        ARG  19  -6.541   3.397  -1.872
  129    HA   ARG  19           HA       ARG  19  -8.432   1.492  -3.082
  130   1HB   ARG  19          1HB       ARG  19  -6.428   0.486  -4.152
  131   2HB   ARG  19          2HB       ARG  19  -6.695   2.157  -4.627
  132   1HG   ARG  19          1HG       ARG  19  -4.627   2.654  -4.018
  133   2HG   ARG  19          2HG       ARG  19  -5.002   2.186  -2.361
  134   1HD   ARG  19          1HD       ARG  19  -3.157   0.867  -2.960
  135   2HD   ARG  19          2HD       ARG  19  -4.549  -0.204  -3.094
  136    HE   ARG  19           HE       ARG  19  -4.024   0.996  -5.592
  137   1HH1  ARG  19          1HH1      ARG  19  -2.716  -1.412  -3.411
  138   2HH1  ARG  19          2HH1      ARG  19  -1.968  -2.329  -4.674
  139   1HH2  ARG  19          1HH2      ARG  19  -3.036  -0.217  -7.254
  140   2HH2  ARG  19          2HH2      ARG  19  -2.149  -1.651  -6.856
  141    HA   PRO  20           HA       PRO  20  -7.799  -1.384   0.215
  142   1HB   PRO  20          1HB       PRO  20  -7.692  -3.595  -1.719
  143   2HB   PRO  20          2HB       PRO  20  -8.904  -3.245  -0.486
  144   1HG   PRO  20          1HG       PRO  20  -9.412  -2.946  -3.113
  145   2HG   PRO  20          2HG       PRO  20 -10.133  -1.891  -1.885
  146   1HD   PRO  20          1HD       PRO  20  -7.815  -1.372  -3.708
  147   2HD   PRO  20          2HD       PRO  20  -9.136  -0.287  -3.227
  148    HA   PRO  21           HA       PRO  21  -3.577  -2.578   0.712
  149   1HB   PRO  21          1HB       PRO  21  -3.770  -5.206   1.569
  150   2HB   PRO  21          2HB       PRO  21  -3.944  -3.787   2.605
  151   1HG   PRO  21          1HG       PRO  21  -6.053  -5.488   1.348
  152   2HG   PRO  21          2HG       PRO  21  -6.015  -4.754   2.962
  153   1HD   PRO  21          1HD       PRO  21  -7.483  -3.705   0.979
  154   2HD   PRO  21          2HD       PRO  21  -6.658  -2.674   2.167
  155    HA   PRO  22           HA       PRO  22  -2.118  -4.306  -3.092
  156   1HB   PRO  22          1HB       PRO  22   0.046  -5.415  -1.361
  157   2HB   PRO  22          2HB       PRO  22   0.170  -4.508  -2.873
  158   1HG   PRO  22          1HG       PRO  22   0.652  -3.316  -0.549
  159   2HG   PRO  22          2HG       PRO  22  -0.223  -2.469  -1.838
  160   1HD   PRO  22          1HD       PRO  22  -1.259  -3.671   0.685
  161   2HD   PRO  22          2HD       PRO  22  -1.810  -2.229  -0.191
  162    H    SER  23           H        SER  23  -1.940  -6.395  -0.240
  163    HA   SER  23           HA       SER  23  -3.354  -8.504  -1.574
  164   1HB   SER  23          1HB       SER  23  -0.460  -8.533  -1.586
  165   2HB   SER  23          2HB       SER  23  -1.091  -9.920  -0.699
  166    HG   SER  23           HG       SER  23  -0.871 -10.296  -2.972
  Start of MODEL    7
    1    H    ALA   1           H        ALA   1   3.212  -7.871  -5.628
    2    HA   ALA   1           HA       ALA   1   4.661  -8.645  -3.921
    3   1HB   ALA   1          1HB       ALA   1   6.205  -6.187  -4.665
    4   2HB   ALA   1          2HB       ALA   1   6.773  -7.847  -4.494
    5   3HB   ALA   1          3HB       ALA   1   6.346  -6.911  -3.062
    6    H    LEU   2           H        LEU   2   3.919  -8.299  -1.878
    7    HA   LEU   2           HA       LEU   2   1.882  -6.274  -1.557
    8   1HB   LEU   2          1HB       LEU   2   1.695  -8.664  -0.749
    9   2HB   LEU   2          2HB       LEU   2   2.847  -8.249   0.505
   10    HG   LEU   2           HG       LEU   2   0.474  -6.495   0.314
   11   1HD1  LEU   2          1HD1      LEU   2   0.228  -9.278   1.440
   12   2HD1  LEU   2          2HD1      LEU   2  -0.447  -8.768  -0.106
   13   3HD1  LEU   2          3HD1      LEU   2  -1.015  -8.028   1.390
   14   1HD2  LEU   2          1HD2      LEU   2   0.617  -6.683   2.766
   15   2HD2  LEU   2          2HD2      LEU   2   2.139  -6.162   2.043
   16   3HD2  LEU   2          3HD2      LEU   2   1.945  -7.829   2.585
   17    H    GLN   3           H        GLN   3   4.916  -7.135   0.113
   18    HA   GLN   3           HA       GLN   3   4.876  -4.941   1.898
   19   1HB   GLN   3          1HB       GLN   3   6.304  -7.192   1.823
   20   2HB   GLN   3          2HB       GLN   3   7.481  -6.120   1.077
   21   1HG   GLN   3          1HG       GLN   3   6.830  -4.613   3.174
   22   2HG   GLN   3          2HG       GLN   3   6.469  -6.199   3.854
   23   1HE2  GLN   3          1HE2      GLN   3   8.147  -7.704   4.105
   24   2HE2  GLN   3          2HE2      GLN   3   9.807  -7.219   4.102
   25    H    GLU   4           H        GLU   4   6.449  -5.416  -1.254
   26    HA   GLU   4           HA       GLU   4   7.915  -3.020  -1.299
   27   1HB   GLU   4          1HB       GLU   4   6.781  -4.661  -3.569
   28   2HB   GLU   4          2HB       GLU   4   7.892  -3.317  -3.792
   29   1HG   GLU   4          1HG       GLU   4   8.503  -5.779  -2.173
   30   2HG   GLU   4          2HG       GLU   4   8.968  -5.546  -3.857
   31    H    LEU   5           H        LEU   5   4.671  -3.762  -2.568
   32    HA   LEU   5           HA       LEU   5   4.190  -1.100  -3.484
   33   1HB   LEU   5          1HB       LEU   5   3.034  -3.508  -3.966
   34   2HB   LEU   5          2HB       LEU   5   1.863  -2.799  -2.873
   35    HG   LEU   5           HG       LEU   5   2.818  -1.482  -5.415
   36   1HD1  LEU   5          1HD1      LEU   5   0.687  -2.127  -6.376
   37   2HD1  LEU   5          2HD1      LEU   5   0.249  -2.972  -4.892
   38   3HD1  LEU   5          3HD1      LEU   5   1.590  -3.556  -5.877
   39   1HD2  LEU   5          1HD2      LEU   5   0.681  -0.156  -5.014
   40   2HD2  LEU   5          2HD2      LEU   5   2.052   0.194  -3.960
   41   3HD2  LEU   5          3HD2      LEU   5   0.721  -0.803  -3.373
   42    H    LEU   6           H        LEU   6   3.834  -2.709  -0.430
   43    HA   LEU   6           HA       LEU   6   1.832  -1.227   0.806
   44   1HB   LEU   6          1HB       LEU   6   3.701  -3.123   1.550
   45   2HB   LEU   6          2HB       LEU   6   4.061  -1.762   2.580
   46    HG   LEU   6           HG       LEU   6   2.522  -3.409   3.614
   47   1HD1  LEU   6          1HD1      LEU   6   1.517  -0.616   3.126
   48   2HD1  LEU   6          2HD1      LEU   6   2.458  -1.214   4.492
   49   3HD1  LEU   6          3HD1      LEU   6   0.781  -1.720   4.288
   50   1HD2  LEU   6          1HD2      LEU   6   0.565  -2.486   1.515
   51   2HD2  LEU   6          2HD2      LEU   6   0.238  -3.597   2.844
   52   3HD2  LEU   6          3HD2      LEU   6   1.343  -4.067   1.553
   53    H    GLY   7           H        GLY   7   5.312  -0.513   0.542
   54   1HA   GLY   7          1HA       GLY   7   5.291   1.816   2.134
   55   2HA   GLY   7          2HA       GLY   7   6.472   1.438   0.897
   56    H    GLN   8           H        GLN   8   4.503   1.245  -1.231
   57    HA   GLN   8           HA       GLN   8   4.353   4.059  -1.907
   58   1HB   GLN   8          1HB       GLN   8   4.465   1.693  -3.375
   59   2HB   GLN   8          2HB       GLN   8   2.819   2.259  -3.626
   60   1HG   GLN   8          1HG       GLN   8   4.138   3.136  -5.381
   61   2HG   GLN   8          2HG       GLN   8   3.771   4.473  -4.292
   62   1HE2  GLN   8          1HE2      GLN   8   5.412   5.492  -3.217
   63   2HE2  GLN   8          2HE2      GLN   8   7.087   5.150  -3.491
   64    H    TRP   9           H        TRP   9   2.208   1.462  -1.016
   65    HA   TRP   9           HA       TRP   9  -0.279   2.763  -1.262
   66   1HB   TRP   9          1HB       TRP   9   0.100   0.309  -1.080
   67   2HB   TRP   9          2HB       TRP   9   0.565   0.535   0.596
   68    HD1  TRP   9           HD1      TRP   9  -2.521   1.898  -1.306
   69    HE1  TRP   9           HE1      TRP   9  -4.619   1.204   0.026
   70    HE3  TRP   9           HE3      TRP   9  -0.253  -0.773   2.373
   71    HZ2  TRP   9           HZ2      TRP   9  -5.205  -0.289   2.364
   72    HZ3  TRP   9           HZ3      TRP   9  -1.633  -1.792   4.134
   73    HH2  TRP   9           HH2      TRP   9  -4.061  -1.543   4.125
   74    H    LEU  10           H        LEU  10   2.060   2.429   1.344
   75    HA   LEU  10           HA       LEU  10   0.500   3.705   3.357
   76   1HB   LEU  10          1HB       LEU  10   2.449   2.146   3.722
   77   2HB   LEU  10          2HB       LEU  10   3.503   3.470   3.261
   78    HG   LEU  10           HG       LEU  10   2.144   4.711   5.198
   79   1HD1  LEU  10          1HD1      LEU  10   2.140   1.820   6.052
   80   2HD1  LEU  10          2HD1      LEU  10   0.711   2.775   5.653
   81   3HD1  LEU  10          3HD1      LEU  10   1.700   3.207   7.048
   82   1HD2  LEU  10          1HD2      LEU  10   4.432   2.805   5.679
   83   2HD2  LEU  10          2HD2      LEU  10   3.986   4.175   6.695
   84   3HD2  LEU  10          3HD2      LEU  10   4.576   4.449   5.056
   85    H    LYS  11           H        LYS  11   2.857   4.835   0.992
   86    HA   LYS  11           HA       LYS  11   3.394   7.382   1.951
   87   1HB   LYS  11          1HB       LYS  11   4.377   6.182  -0.087
   88   2HB   LYS  11          2HB       LYS  11   2.981   6.777  -0.974
   89   1HG   LYS  11          1HG       LYS  11   3.676   9.098  -0.189
   90   2HG   LYS  11          2HG       LYS  11   5.204   8.350   0.282
   91   1HD   LYS  11          1HD       LYS  11   5.925   8.463  -1.817
   92   2HD   LYS  11          2HD       LYS  11   4.553   7.495  -2.357
   93   1HE   LYS  11          1HE       LYS  11   4.155   9.374  -3.575
   94   2HE   LYS  11          2HE       LYS  11   3.302   9.824  -2.100
   95   1HZ   LYS  11          1HZ       LYS  11   6.074  10.615  -2.820
   96   2HZ   LYS  11          2HZ       LYS  11   5.287  11.023  -1.380
   97   3HZ   LYS  11          3HZ       LYS  11   4.712  11.618  -2.855
   98    H    ASP  12           H        ASP  12   0.667   6.254  -0.014
   99    HA   ASP  12           HA       ASP  12  -0.538   8.841  -0.248
  100   1HB   ASP  12          1HB       ASP  12  -0.835   6.803  -1.800
  101   2HB   ASP  12          2HB       ASP  12  -1.984   6.219  -0.603
  102    H    GLY  13           H        GLY  13  -0.972   6.034   1.852
  103   1HA   GLY  13          1HA       GLY  13  -1.585   6.950   4.202
  104   2HA   GLY  13          2HA       GLY  13  -3.047   7.459   3.373
  105    H    GLY  14           H        GLY  14  -1.204   4.446   2.995
  106   1HA   GLY  14          1HA       GLY  14  -1.917   2.275   2.951
  107   2HA   GLY  14          2HA       GLY  14  -2.485   2.682   4.562
  108    HA   PRO  15           HA       PRO  15  -6.290   0.999   2.745
  109   1HB   PRO  15          1HB       PRO  15  -7.116   1.846   5.477
  110   2HB   PRO  15          2HB       PRO  15  -7.449   0.343   4.625
  111   1HG   PRO  15          1HG       PRO  15  -5.618   0.428   6.546
  112   2HG   PRO  15          2HG       PRO  15  -5.328  -0.514   5.071
  113   1HD   PRO  15          1HD       PRO  15  -4.206   2.137   5.871
  114   2HD   PRO  15          2HD       PRO  15  -3.442   0.815   4.974
  115    H    SER  16           H        SER  16  -6.029   3.996   4.637
  116    HA   SER  16           HA       SER  16  -8.488   5.074   3.768
  117   1HB   SER  16          1HB       SER  16  -7.062   5.753   5.804
  118   2HB   SER  16          2HB       SER  16  -6.152   6.750   4.667
  119    HG   SER  16           HG       SER  16  -7.772   8.009   5.515
  120    H    SER  17           H        SER  17  -5.359   4.937   2.277
  121    HA   SER  17           HA       SER  17  -5.234   7.145   0.661
  122   1HB   SER  17          1HB       SER  17  -3.813   5.906  -0.791
  123   2HB   SER  17          2HB       SER  17  -3.566   5.230   0.817
  124    HG   SER  17           HG       SER  17  -3.996   3.795  -1.158
  125    H    GLY  18           H        GLY  18  -7.132   4.201   0.099
  126   1HA   GLY  18          1HA       GLY  18  -9.355   5.009  -1.024
  127   2HA   GLY  18          2HA       GLY  18  -8.254   5.361  -2.349
  128    H    ARG  19           H        ARG  19  -6.538   3.189  -2.189
  129    HA   ARG  19           HA       ARG  19  -8.301   1.048  -3.123
  130   1HB   ARG  19          1HB       ARG  19  -6.296   0.117  -4.186
  131   2HB   ARG  19          2HB       ARG  19  -6.559   1.786  -4.671
  132   1HG   ARG  19          1HG       ARG  19  -4.598   2.446  -3.847
  133   2HG   ARG  19          2HG       ARG  19  -4.828   1.553  -2.343
  134   1HD   ARG  19          1HD       ARG  19  -4.035  -0.469  -3.338
  135   2HD   ARG  19          2HD       ARG  19  -4.023   0.260  -4.943
  136    HE   ARG  19           HE       ARG  19  -2.009   0.504  -2.908
  137   1HH1  ARG  19          1HH1      ARG  19  -3.376   1.996  -5.767
  138   2HH1  ARG  19          2HH1      ARG  19  -1.939   2.886  -6.138
  139   1HH2  ARG  19          1HH2      ARG  19  -0.121   1.684  -3.401
  140   2HH2  ARG  19          2HH2      ARG  19  -0.090   2.709  -4.797
  141    HA   PRO  20           HA       PRO  20  -7.489  -1.574   0.340
  142   1HB   PRO  20          1HB       PRO  20  -7.392  -3.915  -1.418
  143   2HB   PRO  20          2HB       PRO  20  -8.603  -3.475  -0.213
  144   1HG   PRO  20          1HG       PRO  20  -9.110  -3.400  -2.863
  145   2HG   PRO  20          2HG       PRO  20  -9.858  -2.271  -1.718
  146   1HD   PRO  20          1HD       PRO  20  -7.539  -1.840  -3.567
  147   2HD   PRO  20          2HD       PRO  20  -8.892  -0.754  -3.184
  148    HA   PRO  21           HA       PRO  21  -3.239  -2.621   0.910
  149   1HB   PRO  21          1HB       PRO  21  -4.068  -5.415   1.534
  150   2HB   PRO  21          2HB       PRO  21  -3.058  -4.305   2.466
  151   1HG   PRO  21          1HG       PRO  21  -5.586  -4.795   3.174
  152   2HG   PRO  21          2HG       PRO  21  -4.875  -3.182   3.350
  153   1HD   PRO  21          1HD       PRO  21  -6.830  -4.181   1.344
  154   2HD   PRO  21          2HD       PRO  21  -6.659  -2.562   2.048
  155    HA   PRO  22           HA       PRO  22  -1.820  -4.019  -3.071
  156   1HB   PRO  22          1HB       PRO  22   0.466  -4.918  -1.351
  157   2HB   PRO  22          2HB       PRO  22   0.493  -4.065  -2.899
  158   1HG   PRO  22          1HG       PRO  22   0.869  -2.749  -0.615
  159   2HG   PRO  22          2HG       PRO  22  -0.067  -2.031  -1.940
  160   1HD   PRO  22          1HD       PRO  22  -1.000  -3.125   0.652
  161   2HD   PRO  22          2HD       PRO  22  -1.727  -1.883  -0.382
  162    H    SER  23           H        SER  23  -3.307  -5.705  -3.366
  163    HA   SER  23           HA       SER  23  -2.142  -8.325  -3.329
  164   1HB   SER  23          1HB       SER  23  -3.884  -9.423  -1.986
  165   2HB   SER  23          2HB       SER  23  -2.999  -8.238  -1.026
  166    HG   SER  23           HG       SER  23  -5.642  -8.304  -1.723
  Start of MODEL    8
    1    H    ALA   1           H        ALA   1   4.649  -9.140  -5.053
    2    HA   ALA   1           HA       ALA   1   6.333  -7.693  -4.201
    3   1HB   ALA   1          1HB       ALA   1   6.219  -5.279  -4.895
    4   2HB   ALA   1          2HB       ALA   1   5.222  -5.793  -6.255
    5   3HB   ALA   1          3HB       ALA   1   6.878  -6.382  -6.103
    6    H    LEU   2           H        LEU   2   5.195  -8.052  -2.342
    7    HA   LEU   2           HA       LEU   2   2.634  -6.699  -1.957
    8   1HB   LEU   2          1HB       LEU   2   2.918  -9.092  -1.323
    9   2HB   LEU   2          2HB       LEU   2   4.079  -8.596  -0.106
   10    HG   LEU   2           HG       LEU   2   1.561  -7.167   0.161
   11   1HD1  LEU   2          1HD1      LEU   2   0.545  -9.147  -0.732
   12   2HD1  LEU   2          2HD1      LEU   2   0.291  -9.122   1.013
   13   3HD1  LEU   2          3HD1      LEU   2   1.520 -10.176   0.316
   14   1HD2  LEU   2          1HD2      LEU   2   3.312  -7.233   1.862
   15   2HD2  LEU   2          2HD2      LEU   2   3.108  -8.978   2.011
   16   3HD2  LEU   2          3HD2      LEU   2   1.797  -7.895   2.477
   17    H    GLN   3           H        GLN   3   5.711  -7.048  -0.168
   18    HA   GLN   3           HA       GLN   3   5.199  -4.979   1.676
   19   1HB   GLN   3          1HB       GLN   3   6.902  -6.760   1.991
   20   2HB   GLN   3          2HB       GLN   3   7.885  -6.009   0.741
   21   1HG   GLN   3          1HG       GLN   3   7.077  -4.219   2.924
   22   2HG   GLN   3          2HG       GLN   3   8.139  -5.545   3.394
   23   1HE2  GLN   3          1HE2      GLN   3  10.175  -5.756   2.264
   24   2HE2  GLN   3          2HE2      GLN   3  10.942  -4.347   1.617
   25    H    GLU   4           H        GLU   4   6.908  -5.001  -1.431
   26    HA   GLU   4           HA       GLU   4   7.895  -2.378  -1.359
   27   1HB   GLU   4          1HB       GLU   4   7.039  -3.943  -3.803
   28   2HB   GLU   4          2HB       GLU   4   8.126  -2.563  -3.782
   29   1HG   GLU   4          1HG       GLU   4   9.769  -4.057  -3.706
   30   2HG   GLU   4          2HG       GLU   4   9.321  -4.286  -2.016
   31    H    LEU   5           H        LEU   5   4.846  -3.655  -2.683
   32    HA   LEU   5           HA       LEU   5   3.870  -1.139  -3.569
   33   1HB   LEU   5          1HB       LEU   5   3.111  -3.727  -3.943
   34   2HB   LEU   5          2HB       LEU   5   1.876  -3.175  -2.828
   35    HG   LEU   5           HG       LEU   5   2.526  -1.927  -5.502
   36   1HD1  LEU   5          1HD1      LEU   5   1.182  -4.228  -5.114
   37   2HD1  LEU   5          2HD1      LEU   5   0.832  -3.093  -6.418
   38   3HD1  LEU   5          3HD1      LEU   5  -0.132  -3.064  -4.941
   39   1HD2  LEU   5          1HD2      LEU   5   0.534  -1.198  -3.366
   40   2HD2  LEU   5          2HD2      LEU   5   0.397  -0.655  -5.038
   41   3HD2  LEU   5          3HD2      LEU   5   1.795  -0.187  -4.070
   42    H    LEU   6           H        LEU   6   3.699  -2.863  -0.518
   43    HA   LEU   6           HA       LEU   6   1.610  -1.450   0.712
   44   1HB   LEU   6          1HB       LEU   6   3.279  -3.470   1.406
   45   2HB   LEU   6          2HB       LEU   6   3.859  -2.195   2.445
   46    HG   LEU   6           HG       LEU   6   2.206  -3.619   3.571
   47   1HD1  LEU   6          1HD1      LEU   6   1.278  -0.802   3.034
   48   2HD1  LEU   6          2HD1      LEU   6   2.397  -1.326   4.293
   49   3HD1  LEU   6          3HD1      LEU   6   0.706  -1.824   4.353
   50   1HD2  LEU   6          1HD2      LEU   6   0.180  -2.560   1.616
   51   2HD2  LEU   6          2HD2      LEU   6  -0.056  -3.767   2.880
   52   3HD2  LEU   6          3HD2      LEU   6   0.931  -4.148   1.469
   53    H    GLY   7           H        GLY   7   5.094  -0.781   0.543
   54   1HA   GLY   7          1HA       GLY   7   5.045   1.486   2.253
   55   2HA   GLY   7          2HA       GLY   7   6.292   1.106   1.082
   56    H    GLN   8           H        GLN   8   4.391   0.997  -1.143
   57    HA   GLN   8           HA       GLN   8   4.397   3.815  -1.806
   58   1HB   GLN   8          1HB       GLN   8   3.274   1.421  -3.289
   59   2HB   GLN   8          2HB       GLN   8   3.339   3.054  -3.937
   60   1HG   GLN   8          1HG       GLN   8   5.772   1.515  -3.068
   61   2HG   GLN   8          2HG       GLN   8   5.147   1.511  -4.716
   62   1HE2  GLN   8          1HE2      GLN   8   6.714   3.388  -2.240
   63   2HE2  GLN   8          2HE2      GLN   8   7.219   4.688  -3.264
   64    H    TRP   9           H        TRP   9   2.089   1.322  -1.013
   65    HA   TRP   9           HA       TRP   9  -0.306   2.784  -1.289
   66   1HB   TRP   9          1HB       TRP   9  -0.139   0.323  -1.220
   67   2HB   TRP   9          2HB       TRP   9   0.379   0.410   0.454
   68    HD1  TRP   9           HD1      TRP   9  -2.645   2.035  -1.340
   69    HE1  TRP   9           HE1      TRP   9  -4.760   1.449   0.023
   70    HE3  TRP   9           HE3      TRP   9  -0.484  -0.841   2.250
   71    HZ2  TRP   9           HZ2      TRP   9  -5.394  -0.046   2.347
   72    HZ3  TRP   9           HZ3      TRP   9  -1.895  -1.806   4.019
   73    HH2  TRP   9           HH2      TRP   9  -4.300  -1.402   4.060
   74    H    LEU  10           H        LEU  10   1.893   2.151   1.392
   75    HA   LEU  10           HA       LEU  10   0.378   3.426   3.418
   76   1HB   LEU  10          1HB       LEU  10   2.241   1.795   3.778
   77   2HB   LEU  10          2HB       LEU  10   3.370   3.056   3.322
   78    HG   LEU  10           HG       LEU  10   1.554   3.882   5.457
   79   1HD1  LEU  10          1HD1      LEU  10   2.602   2.519   7.200
   80   2HD1  LEU  10          2HD1      LEU  10   3.448   1.591   5.963
   81   3HD1  LEU  10          3HD1      LEU  10   1.689   1.529   6.060
   82   1HD2  LEU  10          1HD2      LEU  10   3.551   5.122   4.750
   83   2HD2  LEU  10          2HD2      LEU  10   4.562   3.765   5.246
   84   3HD2  LEU  10          3HD2      LEU  10   3.631   4.659   6.449
   85    H    LYS  11           H        LYS  11   2.749   4.598   1.100
   86    HA   LYS  11           HA       LYS  11   3.374   7.071   2.206
   87   1HB   LYS  11          1HB       LYS  11   4.233   5.867   0.037
   88   2HB   LYS  11          2HB       LYS  11   2.968   6.800  -0.751
   89   1HG   LYS  11          1HG       LYS  11   4.037   8.825   0.442
   90   2HG   LYS  11          2HG       LYS  11   5.431   7.762   0.643
   91   1HD   LYS  11          1HD       LYS  11   5.544   7.427  -1.767
   92   2HD   LYS  11          2HD       LYS  11   4.113   8.436  -1.988
   93   1HE   LYS  11          1HE       LYS  11   6.535   9.504  -0.585
   94   2HE   LYS  11          2HE       LYS  11   6.461   9.472  -2.346
   95   1HZ   LYS  11          1HZ       LYS  11   4.551  10.847  -0.533
   96   2HZ   LYS  11          2HZ       LYS  11   4.398  10.767  -2.216
   97   3HZ   LYS  11          3HZ       LYS  11   5.705  11.589  -1.524
   98    H    ASP  12           H        ASP  12   0.522   6.047   0.417
   99    HA   ASP  12           HA       ASP  12  -0.565   8.765   0.501
  100   1HB   ASP  12          1HB       ASP  12  -0.593   7.324  -1.613
  101   2HB   ASP  12          2HB       ASP  12  -1.833   6.360  -0.819
  102    H    GLY  13           H        GLY  13  -0.311   7.370   2.975
  103   1HA   GLY  13          1HA       GLY  13  -1.556   7.116   4.890
  104   2HA   GLY  13          2HA       GLY  13  -2.950   7.687   3.991
  105    H    GLY  14           H        GLY  14  -1.064   4.863   3.059
  106   1HA   GLY  14          1HA       GLY  14  -1.720   2.703   2.677
  107   2HA   GLY  14          2HA       GLY  14  -2.289   2.801   4.334
  108    HA   PRO  15           HA       PRO  15  -6.173   1.480   2.481
  109   1HB   PRO  15          1HB       PRO  15  -7.035   2.330   5.202
  110   2HB   PRO  15          2HB       PRO  15  -7.412   0.856   4.321
  111   1HG   PRO  15          1HG       PRO  15  -5.635   0.827   6.287
  112   2HG   PRO  15          2HG       PRO  15  -5.338  -0.097   4.804
  113   1HD   PRO  15          1HD       PRO  15  -4.152   2.501   5.684
  114   2HD   PRO  15          2HD       PRO  15  -3.394   1.162   4.805
  115    H    SER  16           H        SER  16  -5.815   4.451   4.389
  116    HA   SER  16           HA       SER  16  -8.199   5.675   3.681
  117   1HB   SER  16          1HB       SER  16  -6.458   6.412   5.420
  118   2HB   SER  16          2HB       SER  16  -5.639   7.219   4.083
  119    HG   SER  16           HG       SER  16  -7.170   8.684   4.019
  120    H    SER  17           H        SER  17  -5.275   5.282   1.820
  121    HA   SER  17           HA       SER  17  -5.380   7.315  -0.028
  122   1HB   SER  17          1HB       SER  17  -4.144   5.892  -1.519
  123   2HB   SER  17          2HB       SER  17  -3.636   5.501   0.122
  124    HG   SER  17           HG       SER  17  -4.896   3.658   0.048
  125    H    GLY  18           H        GLY  18  -7.220   4.276  -0.064
  126   1HA   GLY  18          1HA       GLY  18  -9.594   4.829  -0.949
  127   2HA   GLY  18          2HA       GLY  18  -8.710   5.215  -2.419
  128    H    ARG  19           H        ARG  19  -6.806   3.179  -2.406
  129    HA   ARG  19           HA       ARG  19  -8.467   0.932  -3.203
  130   1HB   ARG  19          1HB       ARG  19  -6.457   0.046  -4.244
  131   2HB   ARG  19          2HB       ARG  19  -6.675   1.728  -4.701
  132   1HG   ARG  19          1HG       ARG  19  -4.687   2.280  -3.892
  133   2HG   ARG  19          2HG       ARG  19  -5.038   1.520  -2.339
  134   1HD   ARG  19          1HD       ARG  19  -4.227  -0.568  -3.057
  135   2HD   ARG  19          2HD       ARG  19  -4.256  -0.089  -4.753
  136    HE   ARG  19           HE       ARG  19  -2.169   0.408  -2.845
  137   1HH1  ARG  19          1HH1      ARG  19  -3.624   1.512  -5.831
  138   2HH1  ARG  19          2HH1      ARG  19  -2.187   2.305  -6.381
  139   1HH2  ARG  19          1HH2      ARG  19  -0.278   1.459  -3.573
  140   2HH2  ARG  19          2HH2      ARG  19  -0.287   2.274  -5.100
  141    HA   PRO  20           HA       PRO  20  -7.739  -1.570   0.363
  142   1HB   PRO  20          1HB       PRO  20  -7.558  -3.940  -1.362
  143   2HB   PRO  20          2HB       PRO  20  -8.782  -3.520  -0.162
  144   1HG   PRO  20          1HG       PRO  20  -9.299  -3.481  -2.804
  145   2HG   PRO  20          2HG       PRO  20 -10.053  -2.338  -1.677
  146   1HD   PRO  20          1HD       PRO  20  -7.745  -1.921  -3.542
  147   2HD   PRO  20          2HD       PRO  20  -9.104  -0.839  -3.170
  148    HA   PRO  21           HA       PRO  21  -3.472  -2.564   0.927
  149   1HB   PRO  21          1HB       PRO  21  -3.574  -5.027   2.165
  150   2HB   PRO  21          2HB       PRO  21  -3.828  -3.485   2.985
  151   1HG   PRO  21          1HG       PRO  21  -5.843  -5.436   1.949
  152   2HG   PRO  21          2HG       PRO  21  -5.851  -4.511   3.463
  153   1HD   PRO  21          1HD       PRO  21  -7.346  -3.771   1.366
  154   2HD   PRO  21          2HD       PRO  21  -6.570  -2.568   2.418
  155    HA   PRO  22           HA       PRO  22  -2.493  -4.950  -2.739
  156   1HB   PRO  22          1HB       PRO  22   0.293  -4.614  -1.807
  157   2HB   PRO  22          2HB       PRO  22  -0.454  -4.108  -3.324
  158   1HG   PRO  22          1HG       PRO  22   0.206  -2.328  -1.442
  159   2HG   PRO  22          2HG       PRO  22  -1.260  -2.136  -2.422
  160   1HD   PRO  22          1HD       PRO  22  -0.978  -3.137   0.386
  161   2HD   PRO  22          2HD       PRO  22  -2.194  -2.043  -0.302
  162    H    SER  23           H        SER  23  -3.437  -6.811  -1.500
  163    HA   SER  23           HA       SER  23  -1.410  -8.858  -1.185
  164   1HB   SER  23          1HB       SER  23  -2.479  -9.638   0.986
  165   2HB   SER  23          2HB       SER  23  -1.525  -8.159   1.093
  166    HG   SER  23           HG       SER  23  -3.321  -6.992   1.356
  Start of MODEL    9
    1    H    ALA   1           H        ALA   1   6.657  -7.752  -5.882
    2    HA   ALA   1           HA       ALA   1   5.699  -8.747  -3.965
    3   1HB   ALA   1          1HB       ALA   1   7.570  -6.494  -3.247
    4   2HB   ALA   1          2HB       ALA   1   8.057  -8.035  -3.951
    5   3HB   ALA   1          3HB       ALA   1   7.329  -7.990  -2.346
    6    H    LEU   2           H        LEU   2   4.695  -8.558  -1.922
    7    HA   LEU   2           HA       LEU   2   2.612  -6.620  -1.811
    8   1HB   LEU   2          1HB       LEU   2   3.477  -8.417   0.449
    9   2HB   LEU   2          2HB       LEU   2   1.893  -7.712   0.185
   10    HG   LEU   2           HG       LEU   2   3.162  -9.854  -1.529
   11   1HD1  LEU   2          1HD1      LEU   2   0.889 -10.029   0.443
   12   2HD1  LEU   2          2HD1      LEU   2   2.520 -10.644   0.705
   13   3HD1  LEU   2          3HD1      LEU   2   1.508 -11.340  -0.561
   14   1HD2  LEU   2          1HD2      LEU   2   0.323  -8.866  -1.610
   15   2HD2  LEU   2          2HD2      LEU   2   1.140  -9.938  -2.747
   16   3HD2  LEU   2          3HD2      LEU   2   1.585  -8.233  -2.665
   17    H    GLN   3           H        GLN   3   5.609  -7.095   0.033
   18    HA   GLN   3           HA       GLN   3   5.212  -4.974   1.857
   19   1HB   GLN   3          1HB       GLN   3   6.862  -6.888   2.069
   20   2HB   GLN   3          2HB       GLN   3   7.883  -6.029   0.926
   21   1HG   GLN   3          1HG       GLN   3   7.419  -4.078   2.733
   22   2HG   GLN   3          2HG       GLN   3   7.363  -5.504   3.768
   23   1HE2  GLN   3          1HE2      GLN   3   9.219  -6.782   3.995
   24   2HE2  GLN   3          2HE2      GLN   3  10.787  -6.194   3.561
   25    H    GLU   4           H        GLU   4   6.904  -5.147  -1.263
   26    HA   GLU   4           HA       GLU   4   7.977  -2.555  -1.257
   27   1HB   GLU   4          1HB       GLU   4   7.393  -4.604  -3.330
   28   2HB   GLU   4          2HB       GLU   4   7.652  -2.957  -3.888
   29   1HG   GLU   4          1HG       GLU   4   9.726  -4.137  -3.979
   30   2HG   GLU   4          2HG       GLU   4   9.816  -2.935  -2.694
   31    H    LEU   5           H        LEU   5   4.898  -3.768  -2.580
   32    HA   LEU   5           HA       LEU   5   4.015  -1.241  -3.530
   33   1HB   LEU   5          1HB       LEU   5   3.173  -3.818  -3.834
   34   2HB   LEU   5          2HB       LEU   5   1.923  -3.146  -2.805
   35    HG   LEU   5           HG       LEU   5   1.639  -3.059  -5.370
   36   1HD1  LEU   5          1HD1      LEU   5   0.811  -1.330  -3.253
   37   2HD1  LEU   5          2HD1      LEU   5  -0.074  -1.832  -4.692
   38   3HD1  LEU   5          3HD1      LEU   5   0.966  -0.409  -4.749
   39   1HD2  LEU   5          1HD2      LEU   5   2.642  -1.340  -6.572
   40   2HD2  LEU   5          2HD2      LEU   5   3.962  -2.001  -5.607
   41   3HD2  LEU   5          3HD2      LEU   5   3.171  -0.504  -5.112
   42    H    LEU   6           H        LEU   6   3.833  -2.846  -0.433
   43    HA   LEU   6           HA       LEU   6   1.738  -1.412   0.758
   44   1HB   LEU   6          1HB       LEU   6   3.508  -3.359   1.521
   45   2HB   LEU   6          2HB       LEU   6   3.960  -2.024   2.548
   46    HG   LEU   6           HG       LEU   6   2.357  -3.534   3.638
   47   1HD1  LEU   6          1HD1      LEU   6   2.353  -1.287   4.403
   48   2HD1  LEU   6          2HD1      LEU   6   0.669  -1.789   4.256
   49   3HD1  LEU   6          3HD1      LEU   6   1.391  -0.752   3.025
   50   1HD2  LEU   6          1HD2      LEU   6   0.105  -3.769   2.869
   51   2HD2  LEU   6          2HD2      LEU   6   1.185  -4.208   1.546
   52   3HD2  LEU   6          3HD2      LEU   6   0.384  -2.637   1.547
   53    H    GLY   7           H        GLY   7   5.245  -0.741   0.683
   54   1HA   GLY   7          1HA       GLY   7   5.167   1.588   2.265
   55   2HA   GLY   7          2HA       GLY   7   6.404   1.200   1.086
   56    H    GLN   8           H        GLN   8   4.526   1.031  -1.137
   57    HA   GLN   8           HA       GLN   8   4.467   3.835  -1.841
   58   1HB   GLN   8          1HB       GLN   8   4.667   1.568  -3.325
   59   2HB   GLN   8          2HB       GLN   8   2.948   1.895  -3.497
   60   1HG   GLN   8          1HG       GLN   8   5.155   3.839  -4.138
   61   2HG   GLN   8          2HG       GLN   8   4.293   2.850  -5.315
   62   1HE2  GLN   8          1HE2      GLN   8   4.271   5.712  -3.450
   63   2HE2  GLN   8          2HE2      GLN   8   2.731   6.310  -3.966
   64    H    TRP   9           H        TRP   9   2.184   1.311  -1.041
   65    HA   TRP   9           HA       TRP   9  -0.232   2.723  -1.327
   66   1HB   TRP   9          1HB       TRP   9   0.002   0.264  -1.179
   67   2HB   TRP   9          2HB       TRP   9   0.491   0.425   0.498
   68    HD1  TRP   9           HD1      TRP   9  -2.542   1.966  -1.356
   69    HE1  TRP   9           HE1      TRP   9  -4.658   1.356  -0.010
   70    HE3  TRP   9           HE3      TRP   9  -0.372  -0.868   2.258
   71    HZ2  TRP   9           HZ2      TRP   9  -5.295  -0.143   2.313
   72    HZ3  TRP   9           HZ3      TRP   9  -1.783  -1.851   4.018
   73    HH2  TRP   9           HH2      TRP   9  -4.194  -1.484   4.038
   74    H    LEU  10           H        LEU  10   2.004   2.247   1.352
   75    HA   LEU  10           HA       LEU  10   0.463   3.522   3.355
   76   1HB   LEU  10          1HB       LEU  10   2.402   1.975   3.731
   77   2HB   LEU  10          2HB       LEU  10   3.468   3.279   3.244
   78    HG   LEU  10           HG       LEU  10   2.540   4.640   5.143
   79   1HD1  LEU  10          1HD1      LEU  10   0.448   3.533   5.509
   80   2HD1  LEU  10          2HD1      LEU  10   1.432   3.358   6.961
   81   3HD1  LEU  10          3HD1      LEU  10   1.261   2.004   5.844
   82   1HD2  LEU  10          1HD2      LEU  10   3.879   3.539   6.832
   83   2HD2  LEU  10          2HD2      LEU  10   4.691   3.449   5.269
   84   3HD2  LEU  10          3HD2      LEU  10   3.852   2.036   5.911
   85    H    LYS  11           H        LYS  11   2.734   4.723   0.955
   86    HA   LYS  11           HA       LYS  11   3.288   7.249   1.985
   87   1HB   LYS  11          1HB       LYS  11   4.306   6.163  -0.061
   88   2HB   LYS  11          2HB       LYS  11   2.860   6.635  -0.942
   89   1HG   LYS  11          1HG       LYS  11   4.141   8.416  -1.461
   90   2HG   LYS  11          2HG       LYS  11   3.515   9.011   0.078
   91   1HD   LYS  11          1HD       LYS  11   5.601   7.805   1.076
   92   2HD   LYS  11          2HD       LYS  11   6.218   7.907  -0.574
   93   1HE   LYS  11          1HE       LYS  11   7.025   9.863   0.329
   94   2HE   LYS  11          2HE       LYS  11   5.507  10.412  -0.376
   95   1HZ   LYS  11          1HZ       LYS  11   5.950   9.713   2.477
   96   2HZ   LYS  11          2HZ       LYS  11   4.474  10.200   1.812
   97   3HZ   LYS  11          3HZ       LYS  11   5.778  11.276   1.851
   98    H    ASP  12           H        ASP  12   0.452   6.065   0.268
   99    HA   ASP  12           HA       ASP  12  -0.751   8.731   0.289
  100   1HB   ASP  12          1HB       ASP  12  -0.778   7.187  -1.752
  101   2HB   ASP  12          2HB       ASP  12  -1.953   6.214  -0.875
  102    H    GLY  13           H        GLY  13  -0.341   7.221   2.784
  103   1HA   GLY  13          1HA       GLY  13  -1.511   7.022   4.756
  104   2HA   GLY  13          2HA       GLY  13  -2.942   7.592   3.914
  105    H    GLY  14           H        GLY  14  -1.062   4.767   2.959
  106   1HA   GLY  14          1HA       GLY  14  -1.724   2.605   2.590
  107   2HA   GLY  14          2HA       GLY  14  -2.237   2.706   4.266
  108    HA   PRO  15           HA       PRO  15  -6.168   1.347   2.538
  109   1HB   PRO  15          1HB       PRO  15  -6.951   2.178   5.289
  110   2HB   PRO  15          2HB       PRO  15  -7.334   0.700   4.417
  111   1HG   PRO  15          1HG       PRO  15  -5.496   0.693   6.327
  112   2HG   PRO  15          2HG       PRO  15  -5.237  -0.228   4.834
  113   1HD   PRO  15          1HD       PRO  15  -4.051   2.383   5.676
  114   2HD   PRO  15          2HD       PRO  15  -3.309   1.052   4.772
  115    H    SER  16           H        SER  16  -5.824   4.286   4.511
  116    HA   SER  16           HA       SER  16  -8.225   5.500   3.841
  117   1HB   SER  16          1HB       SER  16  -6.469   6.202   5.593
  118   2HB   SER  16          2HB       SER  16  -5.698   7.083   4.275
  119    HG   SER  16           HG       SER  16  -7.263   8.509   4.302
  120    H    SER  17           H        SER  17  -5.308   5.191   1.959
  121    HA   SER  17           HA       SER  17  -5.411   7.280   0.188
  122   1HB   SER  17          1HB       SER  17  -4.183   5.919  -1.353
  123   2HB   SER  17          2HB       SER  17  -3.697   5.417   0.264
  124    HG   SER  17           HG       SER  17  -4.954   3.598   0.064
  125    H    GLY  18           H        GLY  18  -7.312   4.288   0.077
  126   1HA   GLY  18          1HA       GLY  18  -9.675   4.915  -0.783
  127   2HA   GLY  18          2HA       GLY  18  -8.790   5.317  -2.247
  128    H    ARG  19           H        ARG  19  -6.924   3.245  -2.282
  129    HA   ARG  19           HA       ARG  19  -8.651   1.022  -3.048
  130   1HB   ARG  19          1HB       ARG  19  -6.716   0.157  -4.245
  131   2HB   ARG  19          2HB       ARG  19  -6.994   1.837  -4.675
  132   1HG   ARG  19          1HG       ARG  19  -4.984   2.462  -3.948
  133   2HG   ARG  19          2HG       ARG  19  -5.145   1.548  -2.447
  134   1HD   ARG  19          1HD       ARG  19  -4.567  -0.512  -3.677
  135   2HD   ARG  19          2HD       ARG  19  -4.340   0.446  -5.139
  136    HE   ARG  19           HE       ARG  19  -2.526   0.199  -2.926
  137   1HH1  ARG  19          1HH1      ARG  19  -3.497   2.245  -5.601
  138   2HH1  ARG  19          2HH1      ARG  19  -1.965   3.042  -5.704
  139   1HH2  ARG  19          1HH2      ARG  19  -0.511   1.254  -3.072
  140   2HH2  ARG  19          2HH2      ARG  19  -0.270   2.482  -4.269
  141    HA   PRO  20           HA       PRO  20  -7.669  -1.472   0.464
  142   1HB   PRO  20          1HB       PRO  20  -7.726  -3.840  -1.279
  143   2HB   PRO  20          2HB       PRO  20  -8.798  -3.406   0.054
  144   1HG   PRO  20          1HG       PRO  20  -9.613  -3.329  -2.507
  145   2HG   PRO  20          2HG       PRO  20 -10.200  -2.174  -1.297
  146   1HD   PRO  20          1HD       PRO  20  -8.118  -1.806  -3.419
  147   2HD   PRO  20          2HD       PRO  20  -9.390  -0.688  -2.881
  148    HA   PRO  21           HA       PRO  21  -3.408  -2.578   0.797
  149   1HB   PRO  21          1HB       PRO  21  -4.246  -5.369   1.433
  150   2HB   PRO  21          2HB       PRO  21  -3.155  -4.293   2.312
  151   1HG   PRO  21          1HG       PRO  21  -5.649  -4.746   3.167
  152   2HG   PRO  21          2HG       PRO  21  -4.883  -3.157   3.337
  153   1HD   PRO  21          1HD       PRO  21  -7.007  -4.042   1.462
  154   2HD   PRO  21          2HD       PRO  21  -6.705  -2.438   2.154
  155    HA   PRO  22           HA       PRO  22  -2.399  -4.360  -3.150
  156   1HB   PRO  22          1HB       PRO  22   0.287  -4.660  -2.794
  157   2HB   PRO  22          2HB       PRO  22  -0.483  -3.104  -3.115
  158   1HG   PRO  22          1HG       PRO  22   0.410  -4.272  -0.510
  159   2HG   PRO  22          2HG       PRO  22   0.586  -2.613  -1.113
  160   1HD   PRO  22          1HD       PRO  22  -1.329  -3.311   0.660
  161   2HD   PRO  22          2HD       PRO  22  -1.582  -2.051  -0.562
  162    H    SER  23           H        SER  23  -3.648  -6.298  -2.403
  163    HA   SER  23           HA       SER  23  -2.228  -8.524  -1.291
  164   1HB   SER  23          1HB       SER  23  -4.716  -8.112  -1.062
  165   2HB   SER  23          2HB       SER  23  -4.876  -8.608  -2.747
  166    HG   SER  23           HG       SER  23  -4.946 -10.555  -1.977
  Start of MODEL   10
    1    H    ALA   1           H        ALA   1   5.905  -9.042  -4.889
    2    HA   ALA   1           HA       ALA   1   6.839  -6.879  -4.903
    3   1HB   ALA   1          1HB       ALA   1   6.232  -5.190  -6.361
    4   2HB   ALA   1          2HB       ALA   1   4.697  -5.953  -6.774
    5   3HB   ALA   1          3HB       ALA   1   6.206  -6.610  -7.406
    6    H    LEU   2           H        LEU   2   5.705  -7.845  -2.937
    7    HA   LEU   2           HA       LEU   2   3.101  -6.597  -2.424
    8   1HB   LEU   2          1HB       LEU   2   3.491  -9.058  -1.998
    9   2HB   LEU   2          2HB       LEU   2   4.563  -8.585  -0.693
   10    HG   LEU   2           HG       LEU   2   2.351  -7.199   0.005
   11   1HD1  LEU   2          1HD1      LEU   2   0.872  -7.914  -1.659
   12   2HD1  LEU   2          2HD1      LEU   2   0.470  -8.906  -0.257
   13   3HD1  LEU   2          3HD1      LEU   2   1.434  -9.584  -1.568
   14   1HD2  LEU   2          1HD2      LEU   2   2.914 -10.088   0.661
   15   2HD2  LEU   2          2HD2      LEU   2   1.920  -8.983   1.612
   16   3HD2  LEU   2          3HD2      LEU   2   3.650  -8.688   1.438
   17    H    GLN   3           H        GLN   3   6.318  -6.942  -0.927
   18    HA   GLN   3           HA       GLN   3   5.881  -5.218   1.243
   19   1HB   GLN   3          1HB       GLN   3   8.392  -6.054  -0.199
   20   2HB   GLN   3          2HB       GLN   3   8.427  -4.993   1.203
   21   1HG   GLN   3          1HG       GLN   3   7.640  -6.663   2.634
   22   2HG   GLN   3          2HG       GLN   3   7.072  -7.663   1.298
   23   1HE2  GLN   3          1HE2      GLN   3   8.659  -8.711  -0.033
   24   2HE2  GLN   3          2HE2      GLN   3  10.210  -9.108   0.623
   25    H    GLU   4           H        GLU   4   7.312  -4.560  -1.956
   26    HA   GLU   4           HA       GLU   4   7.779  -1.811  -1.478
   27   1HB   GLU   4          1HB       GLU   4   8.125  -1.623  -3.892
   28   2HB   GLU   4          2HB       GLU   4   8.960  -3.021  -3.236
   29   1HG   GLU   4          1HG       GLU   4   8.054  -3.827  -5.198
   30   2HG   GLU   4          2HG       GLU   4   6.882  -4.346  -3.991
   31    H    LEU   5           H        LEU   5   4.901  -3.549  -2.256
   32    HA   LEU   5           HA       LEU   5   3.503  -1.320  -3.415
   33   1HB   LEU   5          1HB       LEU   5   3.100  -3.934  -3.622
   34   2HB   LEU   5          2HB       LEU   5   2.057  -3.647  -2.244
   35    HG   LEU   5           HG       LEU   5   1.816  -2.215  -4.890
   36   1HD1  LEU   5          1HD1      LEU   5   0.627  -4.736  -3.856
   37   2HD1  LEU   5          2HD1      LEU   5   1.122  -4.305  -5.492
   38   3HD1  LEU   5          3HD1      LEU   5  -0.384  -3.667  -4.830
   39   1HD2  LEU   5          1HD2      LEU   5   0.778  -0.779  -3.461
   40   2HD2  LEU   5          2HD2      LEU   5   0.412  -2.038  -2.281
   41   3HD2  LEU   5          3HD2      LEU   5  -0.558  -1.895  -3.748
   42    H    LEU   6           H        LEU   6   3.590  -2.919  -0.251
   43    HA   LEU   6           HA       LEU   6   1.545  -1.443   0.991
   44   1HB   LEU   6          1HB       LEU   6   3.059  -3.513   1.701
   45   2HB   LEU   6          2HB       LEU   6   3.882  -2.271   2.607
   46    HG   LEU   6           HG       LEU   6   2.264  -3.372   4.024
   47   1HD1  LEU   6          1HD1      LEU   6   1.177  -0.663   3.285
   48   2HD1  LEU   6          2HD1      LEU   6   2.633  -0.916   4.248
   49   3HD1  LEU   6          3HD1      LEU   6   1.072  -1.477   4.846
   50   1HD2  LEU   6          1HD2      LEU   6   0.756  -4.193   2.295
   51   2HD2  LEU   6          2HD2      LEU   6   0.200  -2.549   1.987
   52   3HD2  LEU   6          3HD2      LEU   6  -0.127  -3.313   3.541
   53    H    GLY   7           H        GLY   7   5.056  -0.890   0.836
   54   1HA   GLY   7          1HA       GLY   7   5.073   1.425   2.464
   55   2HA   GLY   7          2HA       GLY   7   6.301   0.986   1.294
   56    H    GLN   8           H        GLN   8   4.352   0.879  -0.905
   57    HA   GLN   8           HA       GLN   8   4.417   3.698  -1.603
   58   1HB   GLN   8          1HB       GLN   8   4.762   1.626  -3.172
   59   2HB   GLN   8          2HB       GLN   8   3.005   1.595  -3.225
   60   1HG   GLN   8          1HG       GLN   8   3.753   2.804  -5.118
   61   2HG   GLN   8          2HG       GLN   8   3.068   3.972  -3.990
   62   1HE2  GLN   8          1HE2      GLN   8   4.393   5.482  -3.023
   63   2HE2  GLN   8          2HE2      GLN   8   6.032   5.741  -3.513
   64    H    TRP   9           H        TRP   9   2.113   1.228  -0.768
   65    HA   TRP   9           HA       TRP   9  -0.296   2.650  -1.129
   66   1HB   TRP   9          1HB       TRP   9  -0.047   0.179  -0.917
   67   2HB   TRP   9          2HB       TRP   9   0.352   0.396   0.778
   68    HD1  TRP   9           HD1      TRP   9  -2.568   1.859  -1.304
   69    HE1  TRP   9           HE1      TRP   9  -4.760   1.305  -0.060
   70    HE3  TRP   9           HE3      TRP   9  -0.618  -0.800   2.563
   71    HZ2  TRP   9           HZ2      TRP   9  -5.533  -0.085   2.288
   72    HZ3  TRP   9           HZ3      TRP   9  -2.132  -1.699   4.280
   73    HH2  TRP   9           HH2      TRP   9  -4.539  -1.334   4.140
   74    H    LEU  10           H        LEU  10   1.918   2.207   1.570
   75    HA   LEU  10           HA       LEU  10   0.351   3.589   3.508
   76   1HB   LEU  10          1HB       LEU  10   2.232   1.918   3.915
   77   2HB   LEU  10          2HB       LEU  10   3.340   3.234   3.580
   78    HG   LEU  10           HG       LEU  10   1.316   3.886   5.601
   79   1HD1  LEU  10          1HD1      LEU  10   2.314   2.557   7.371
   80   2HD1  LEU  10          2HD1      LEU  10   3.380   1.773   6.205
   81   3HD1  LEU  10          3HD1      LEU  10   1.637   1.514   6.120
   82   1HD2  LEU  10          1HD2      LEU  10   3.218   5.326   5.086
   83   2HD2  LEU  10          2HD2      LEU  10   4.329   4.035   5.546
   84   3HD2  LEU  10          3HD2      LEU  10   3.279   4.768   6.758
   85    H    LYS  11           H        LYS  11   2.867   4.559   1.235
   86    HA   LYS  11           HA       LYS  11   3.501   7.082   2.209
   87   1HB   LYS  11          1HB       LYS  11   4.467   5.753   0.193
   88   2HB   LYS  11          2HB       LYS  11   3.220   6.567  -0.739
   89   1HG   LYS  11          1HG       LYS  11   4.151   8.684  -0.342
   90   2HG   LYS  11          2HG       LYS  11   5.172   8.079   0.966
   91   1HD   LYS  11          1HD       LYS  11   6.382   6.691  -0.717
   92   2HD   LYS  11          2HD       LYS  11   5.441   7.487  -1.979
   93   1HE   LYS  11          1HE       LYS  11   6.347   9.650  -1.295
   94   2HE   LYS  11          2HE       LYS  11   7.271   8.866  -0.015
   95   1HZ   LYS  11          1HZ       LYS  11   8.637   9.308  -1.958
   96   2HZ   LYS  11          2HZ       LYS  11   7.605   8.383  -2.928
   97   3HZ   LYS  11          3HZ       LYS  11   8.498   7.642  -1.697
   98    H    ASP  12           H        ASP  12   0.842   6.098   0.073
   99    HA   ASP  12           HA       ASP  12  -0.196   8.742  -0.251
  100   1HB   ASP  12          1HB       ASP  12  -0.538   6.680  -1.774
  101   2HB   ASP  12          2HB       ASP  12  -1.796   6.217  -0.635
  102    H    GLY  13           H        GLY  13  -0.892   6.024   1.889
  103   1HA   GLY  13          1HA       GLY  13  -1.580   7.022   4.179
  104   2HA   GLY  13          2HA       GLY  13  -2.960   7.604   3.261
  105    H    GLY  14           H        GLY  14  -1.273   4.482   3.089
  106   1HA   GLY  14          1HA       GLY  14  -2.108   2.353   3.039
  107   2HA   GLY  14          2HA       GLY  14  -2.770   2.836   4.592
  108    HA   PRO  15           HA       PRO  15  -6.516   1.308   2.524
  109   1HB   PRO  15          1HB       PRO  15  -7.483   2.254   5.178
  110   2HB   PRO  15          2HB       PRO  15  -7.842   0.757   4.328
  111   1HG   PRO  15          1HG       PRO  15  -6.148   0.771   6.369
  112   2HG   PRO  15          2HG       PRO  15  -5.808  -0.209   4.931
  113   1HD   PRO  15          1HD       PRO  15  -4.598   2.390   5.775
  114   2HD   PRO  15          2HD       PRO  15  -3.848   1.013   4.951
  115    H    SER  16           H        SER  16  -6.241   4.322   4.390
  116    HA   SER  16           HA       SER  16  -8.567   5.518   3.362
  117   1HB   SER  16          1HB       SER  16  -7.183   6.183   5.433
  118   2HB   SER  16          2HB       SER  16  -6.182   7.096   4.303
  119    HG   SER  16           HG       SER  16  -7.761   8.494   4.011
  120    H    SER  17           H        SER  17  -5.376   5.187   2.020
  121    HA   SER  17           HA       SER  17  -5.080   7.321   0.338
  122   1HB   SER  17          1HB       SER  17  -3.698   5.947  -1.050
  123   2HB   SER  17          2HB       SER  17  -3.505   5.360   0.600
  124    HG   SER  17           HG       SER  17  -4.323   4.020  -1.556
  125    H    GLY  18           H        GLY  18  -6.938   4.363  -0.373
  126   1HA   GLY  18          1HA       GLY  18  -9.129   5.377  -1.568
  127   2HA   GLY  18          2HA       GLY  18  -7.939   5.470  -2.858
  128    H    ARG  19           H        ARG  19  -6.513   3.089  -2.149
  129    HA   ARG  19           HA       ARG  19  -8.475   1.079  -3.021
  130   1HB   ARG  19          1HB       ARG  19  -6.568  -0.135  -3.966
  131   2HB   ARG  19          2HB       ARG  19  -6.649   1.502  -4.601
  132   1HG   ARG  19          1HG       ARG  19  -4.539   1.803  -4.006
  133   2HG   ARG  19          2HG       ARG  19  -5.013   1.622  -2.318
  134   1HD   ARG  19          1HD       ARG  19  -3.503  -0.067  -2.414
  135   2HD   ARG  19          2HD       ARG  19  -4.917  -0.953  -2.977
  136    HE   ARG  19           HE       ARG  19  -3.520   0.226  -5.149
  137   1HH1  ARG  19          1HH1      ARG  19  -3.380  -2.456  -2.902
  138   2HH1  ARG  19          2HH1      ARG  19  -2.471  -3.466  -3.974
  139   1HH2  ARG  19          1HH2      ARG  19  -2.321  -1.109  -6.558
  140   2HH2  ARG  19          2HH2      ARG  19  -1.870  -2.703  -6.050
  141    HA   PRO  20           HA       PRO  20  -7.868  -1.279   0.674
  142   1HB   PRO  20          1HB       PRO  20  -7.968  -3.791  -0.805
  143   2HB   PRO  20          2HB       PRO  20  -9.174  -3.090   0.276
  144   1HG   PRO  20          1HG       PRO  20  -9.548  -3.302  -2.401
  145   2HG   PRO  20          2HG       PRO  20 -10.262  -2.004  -1.427
  146   1HD   PRO  20          1HD       PRO  20  -7.833  -1.941  -3.180
  147   2HD   PRO  20          2HD       PRO  20  -9.118  -0.728  -2.989
  148    HA   PRO  21           HA       PRO  21  -3.734  -2.686   1.332
  149   1HB   PRO  21          1HB       PRO  21  -4.748  -5.325   2.246
  150   2HB   PRO  21          2HB       PRO  21  -3.696  -4.171   3.073
  151   1HG   PRO  21          1HG       PRO  21  -6.262  -4.467   3.773
  152   2HG   PRO  21          2HG       PRO  21  -5.466  -2.885   3.814
  153   1HD   PRO  21          1HD       PRO  21  -7.423  -3.973   1.850
  154   2HD   PRO  21          2HD       PRO  21  -7.208  -2.310   2.429
  155    HA   PRO  22           HA       PRO  22  -2.692  -4.997  -2.317
  156   1HB   PRO  22          1HB       PRO  22  -0.047  -5.401  -1.792
  157   2HB   PRO  22          2HB       PRO  22  -0.704  -3.866  -2.367
  158   1HG   PRO  22          1HG       PRO  22   0.026  -4.693   0.410
  159   2HG   PRO  22          2HG       PRO  22   0.300  -3.144  -0.406
  160   1HD   PRO  22          1HD       PRO  22  -1.709  -3.527   1.371
  161   2HD   PRO  22          2HD       PRO  22  -1.846  -2.409   0.001
  162    H    SER  23           H        SER  23  -1.988  -6.200   0.895
  163    HA   SER  23           HA       SER  23  -1.353  -8.867   0.046
  164   1HB   SER  23          1HB       SER  23  -1.555  -9.377   2.520
  165   2HB   SER  23          2HB       SER  23  -0.372  -8.138   2.104
  166    HG   SER  23           HG       SER  23  -2.255  -7.887   3.837
  Start of MODEL   11
    1    H    ALA   1           H        ALA   1   4.928  -9.078  -5.746
    2    HA   ALA   1           HA       ALA   1   5.707  -7.919  -3.829
    3   1HB   ALA   1          1HB       ALA   1   4.487  -6.246  -6.017
    4   2HB   ALA   1          2HB       ALA   1   6.129  -6.885  -5.932
    5   3HB   ALA   1          3HB       ALA   1   5.617  -5.617  -4.819
    6    H    LEU   2           H        LEU   2   4.520  -8.204  -1.930
    7    HA   LEU   2           HA       LEU   2   2.132  -6.576  -1.528
    8   1HB   LEU   2          1HB       LEU   2   2.872  -9.082  -0.629
    9   2HB   LEU   2          2HB       LEU   2   3.125  -8.070   0.780
   10    HG   LEU   2           HG       LEU   2   0.532  -8.163  -0.760
   11   1HD1  LEU   2          1HD1      LEU   2  -0.311  -9.554   1.076
   12   2HD1  LEU   2          2HD1      LEU   2   1.316  -9.636   1.750
   13   3HD1  LEU   2          3HD1      LEU   2   0.977 -10.356   0.176
   14   1HD2  LEU   2          1HD2      LEU   2   1.302  -7.010   1.917
   15   2HD2  LEU   2          2HD2      LEU   2  -0.356  -7.160   1.333
   16   3HD2  LEU   2          3HD2      LEU   2   0.789  -6.124   0.481
   17    H    GLN   3           H        GLN   3   5.240  -7.123   0.147
   18    HA   GLN   3           HA       GLN   3   4.971  -4.887   1.873
   19   1HB   GLN   3          1HB       GLN   3   7.399  -6.490   1.057
   20   2HB   GLN   3          2HB       GLN   3   7.416  -5.251   2.305
   21   1HG   GLN   3          1HG       GLN   3   5.300  -7.146   2.775
   22   2HG   GLN   3          2HG       GLN   3   6.854  -7.961   2.611
   23   1HE2  GLN   3          1HE2      GLN   3   8.436  -7.640   4.145
   24   2HE2  GLN   3          2HE2      GLN   3   8.139  -6.828   5.644
   25    H    GLU   4           H        GLU   4   6.611  -5.362  -1.232
   26    HA   GLU   4           HA       GLU   4   7.991  -2.932  -1.347
   27   1HB   GLU   4          1HB       GLU   4   6.833  -4.584  -3.600
   28   2HB   GLU   4          2HB       GLU   4   7.976  -3.267  -3.815
   29   1HG   GLU   4          1HG       GLU   4   9.712  -4.560  -3.322
   30   2HG   GLU   4          2HG       GLU   4   8.918  -5.221  -1.892
   31    H    LEU   5           H        LEU   5   4.757  -3.765  -2.596
   32    HA   LEU   5           HA       LEU   5   4.202  -1.111  -3.495
   33   1HB   LEU   5          1HB       LEU   5   3.124  -3.530  -4.035
   34   2HB   LEU   5          2HB       LEU   5   1.938  -2.913  -2.903
   35    HG   LEU   5           HG       LEU   5   2.806  -1.389  -5.354
   36   1HD1  LEU   5          1HD1      LEU   5   1.836  -3.513  -6.046
   37   2HD1  LEU   5          2HD1      LEU   5   0.750  -2.172  -6.411
   38   3HD1  LEU   5          3HD1      LEU   5   0.430  -3.215  -5.025
   39   1HD2  LEU   5          1HD2      LEU   5   0.645  -1.072  -3.303
   40   2HD2  LEU   5          2HD2      LEU   5   0.479  -0.377  -4.915
   41   3HD2  LEU   5          3HD2      LEU   5   1.819   0.112  -3.877
   42    H    LEU   6           H        LEU   6   3.797  -2.801  -0.475
   43    HA   LEU   6           HA       LEU   6   1.779  -1.329   0.749
   44   1HB   LEU   6          1HB       LEU   6   3.645  -3.244   1.494
   45   2HB   LEU   6          2HB       LEU   6   3.932  -1.914   2.584
   46    HG   LEU   6           HG       LEU   6   2.361  -3.644   3.460
   47   1HD1  LEU   6          1HD1      LEU   6   0.597  -1.970   4.152
   48   2HD1  LEU   6          2HD1      LEU   6   1.430  -0.808   3.119
   49   3HD1  LEU   6          3HD1      LEU   6   2.270  -1.528   4.491
   50   1HD2  LEU   6          1HD2      LEU   6   0.139  -3.825   2.594
   51   2HD2  LEU   6          2HD2      LEU   6   1.267  -4.107   1.268
   52   3HD2  LEU   6          3HD2      LEU   6   0.443  -2.554   1.409
   53    H    GLY   7           H        GLY   7   5.259  -0.629   0.533
   54   1HA   GLY   7          1HA       GLY   7   5.234   1.655   2.199
   55   2HA   GLY   7          2HA       GLY   7   6.435   1.295   0.975
   56    H    GLN   8           H        GLN   8   4.513   1.174  -1.196
   57    HA   GLN   8           HA       GLN   8   4.403   4.002  -1.807
   58   1HB   GLN   8          1HB       GLN   8   4.904   2.313  -3.557
   59   2HB   GLN   8          2HB       GLN   8   3.295   1.640  -3.352
   60   1HG   GLN   8          1HG       GLN   8   3.570   3.142  -5.324
   61   2HG   GLN   8          2HG       GLN   8   2.270   3.593  -4.224
   62   1HE2  GLN   8          1HE2      GLN   8   5.643   4.293  -5.026
   63   2HE2  GLN   8          2HE2      GLN   8   5.588   5.962  -4.574
   64    H    TRP   9           H        TRP   9   2.194   1.405  -1.047
   65    HA   TRP   9           HA       TRP   9  -0.261   2.758  -1.290
   66   1HB   TRP   9          1HB       TRP   9   0.031   0.303  -1.183
   67   2HB   TRP   9          2HB       TRP   9   0.537   0.448   0.490
   68    HD1  TRP   9           HD1      TRP   9  -2.555   1.904  -1.336
   69    HE1  TRP   9           HE1      TRP   9  -4.642   1.249   0.036
   70    HE3  TRP   9           HE3      TRP   9  -0.274  -0.829   2.290
   71    HZ2  TRP   9           HZ2      TRP   9  -5.214  -0.242   2.383
   72    HZ3  TRP   9           HZ3      TRP   9  -1.641  -1.829   4.073
   73    HH2  TRP   9           HH2      TRP   9  -4.061  -1.528   4.112
   74    H    LEU  10           H        LEU  10   2.019   2.296   1.350
   75    HA   LEU  10           HA       LEU  10   0.457   3.532   3.377
   76   1HB   LEU  10          1HB       LEU  10   2.395   1.955   3.717
   77   2HB   LEU  10          2HB       LEU  10   3.460   3.289   3.312
   78    HG   LEU  10           HG       LEU  10   2.461   4.558   5.243
   79   1HD1  LEU  10          1HD1      LEU  10   0.384   3.385   5.507
   80   2HD1  LEU  10          2HD1      LEU  10   1.337   3.184   6.977
   81   3HD1  LEU  10          3HD1      LEU  10   1.229   1.867   5.810
   82   1HD2  LEU  10          1HD2      LEU  10   3.783   3.406   6.917
   83   2HD2  LEU  10          2HD2      LEU  10   4.632   3.410   5.370
   84   3HD2  LEU  10          3HD2      LEU  10   3.812   1.950   5.923
   85    H    LYS  11           H        LYS  11   2.749   4.752   1.005
   86    HA   LYS  11           HA       LYS  11   3.267   7.271   2.119
   87   1HB   LYS  11          1HB       LYS  11   3.352   6.133  -0.639
   88   2HB   LYS  11          2HB       LYS  11   3.435   7.880  -0.464
   89   1HG   LYS  11          1HG       LYS  11   5.447   7.782   0.722
   90   2HG   LYS  11          2HG       LYS  11   5.264   6.060   1.063
   91   1HD   LYS  11          1HD       LYS  11   6.881   6.148  -0.629
   92   2HD   LYS  11          2HD       LYS  11   5.388   5.733  -1.474
   93   1HE   LYS  11          1HE       LYS  11   5.174   7.855  -2.399
   94   2HE   LYS  11          2HE       LYS  11   6.231   8.593  -1.195
   95   1HZ   LYS  11          1HZ       LYS  11   7.235   8.354  -3.436
   96   2HZ   LYS  11          2HZ       LYS  11   7.170   6.674  -3.257
   97   3HZ   LYS  11          3HZ       LYS  11   8.125   7.599  -2.210
   98    H    ASP  12           H        ASP  12   0.517   6.034   0.350
   99    HA   ASP  12           HA       ASP  12  -0.708   8.688   0.223
  100   1HB   ASP  12          1HB       ASP  12  -0.642   6.871  -1.688
  101   2HB   ASP  12          2HB       ASP  12  -2.029   6.212  -0.829
  102    H    GLY  13           H        GLY  13  -0.349   7.200   2.776
  103   1HA   GLY  13          1HA       GLY  13  -1.575   7.088   4.725
  104   2HA   GLY  13          2HA       GLY  13  -2.986   7.617   3.823
  105    H    GLY  14           H        GLY  14  -1.040   4.772   3.061
  106   1HA   GLY  14          1HA       GLY  14  -1.673   2.593   2.732
  107   2HA   GLY  14          2HA       GLY  14  -2.237   2.747   4.387
  108    HA   PRO  15           HA       PRO  15  -6.076   1.253   2.549
  109   1HB   PRO  15          1HB       PRO  15  -6.942   2.066   5.279
  110   2HB   PRO  15          2HB       PRO  15  -7.272   0.581   4.400
  111   1HG   PRO  15          1HG       PRO  15  -5.476   0.618   6.352
  112   2HG   PRO  15          2HG       PRO  15  -5.164  -0.299   4.866
  113   1HD   PRO  15          1HD       PRO  15  -4.052   2.337   5.731
  114   2HD   PRO  15          2HD       PRO  15  -3.265   1.025   4.838
  115    H    SER  16           H        SER  16  -5.794   4.235   4.456
  116    HA   SER  16           HA       SER  16  -8.237   5.365   3.722
  117   1HB   SER  16          1HB       SER  16  -6.567   6.117   5.542
  118   2HB   SER  16          2HB       SER  16  -5.782   7.027   4.250
  119    HG   SER  16           HG       SER  16  -7.421   8.380   4.188
  120    H    SER  17           H        SER  17  -5.304   5.038   1.906
  121    HA   SER  17           HA       SER  17  -5.316   7.143   0.148
  122   1HB   SER  17          1HB       SER  17  -4.157   5.710  -1.423
  123   2HB   SER  17          2HB       SER  17  -3.631   5.294   0.207
  124    HG   SER  17           HG       SER  17  -4.355   3.572  -1.438
  125    H    GLY  18           H        GLY  18  -7.339   4.243   0.037
  126   1HA   GLY  18          1HA       GLY  18  -9.650   4.949  -0.894
  127   2HA   GLY  18          2HA       GLY  18  -8.715   5.279  -2.347
  128    H    ARG  19           H        ARG  19  -6.927   3.138  -2.253
  129    HA   ARG  19           HA       ARG  19  -8.717   0.933  -2.961
  130   1HB   ARG  19          1HB       ARG  19  -6.792   0.003  -4.161
  131   2HB   ARG  19          2HB       ARG  19  -7.120   1.651  -4.673
  132   1HG   ARG  19          1HG       ARG  19  -5.223   2.490  -3.632
  133   2HG   ARG  19          2HG       ARG  19  -5.080   1.100  -2.555
  134   1HD   ARG  19          1HD       ARG  19  -3.521   0.370  -3.980
  135   2HD   ARG  19          2HD       ARG  19  -4.870  -0.049  -5.034
  136    HE   ARG  19           HE       ARG  19  -3.042   2.193  -5.326
  137   1HH1  ARG  19          1HH1      ARG  19  -5.989   0.639  -6.418
  138   2HH1  ARG  19          2HH1      ARG  19  -6.018   1.487  -7.925
  139   1HH2  ARG  19          1HH2      ARG  19  -3.093   3.304  -7.315
  140   2HH2  ARG  19          2HH2      ARG  19  -4.377   2.998  -8.435
  141    HA   PRO  20           HA       PRO  20  -7.550  -1.508   0.531
  142   1HB   PRO  20          1HB       PRO  20  -7.686  -4.020  -0.476
  143   2HB   PRO  20          2HB       PRO  20  -9.123  -3.038  -0.166
  144   1HG   PRO  20          1HG       PRO  20  -7.683  -3.527  -2.745
  145   2HG   PRO  20          2HG       PRO  20  -9.427  -3.510  -2.423
  146   1HD   PRO  20          1HD       PRO  20  -8.120  -1.407  -3.528
  147   2HD   PRO  20          2HD       PRO  20  -9.544  -1.212  -2.487
  148    HA   PRO  21           HA       PRO  21  -3.284  -2.598   0.814
  149   1HB   PRO  21          1HB       PRO  21  -4.063  -5.418   1.390
  150   2HB   PRO  21          2HB       PRO  21  -2.984  -4.341   2.282
  151   1HG   PRO  21          1HG       PRO  21  -5.456  -4.855   3.154
  152   2HG   PRO  21          2HG       PRO  21  -4.726  -3.252   3.341
  153   1HD   PRO  21          1HD       PRO  21  -6.839  -4.162   1.463
  154   2HD   PRO  21          2HD       PRO  21  -6.584  -2.565   2.190
  155    HA   PRO  22           HA       PRO  22  -2.368  -4.340  -3.189
  156   1HB   PRO  22          1HB       PRO  22   0.322  -4.115  -3.097
  157   2HB   PRO  22          2HB       PRO  22  -0.735  -2.713  -3.293
  158   1HG   PRO  22          1HG       PRO  22   0.619  -3.736  -0.828
  159   2HG   PRO  22          2HG       PRO  22   0.445  -2.067  -1.399
  160   1HD   PRO  22          1HD       PRO  22  -1.136  -3.158   0.533
  161   2HD   PRO  22          2HD       PRO  22  -1.680  -1.870  -0.555
  162    H    SER  23           H        SER  23  -3.179  -6.422  -2.064
  163    HA   SER  23           HA       SER  23  -0.952  -8.328  -1.898
  164   1HB   SER  23          1HB       SER  23  -2.510  -9.688  -0.405
  165   2HB   SER  23          2HB       SER  23  -1.842  -8.218   0.301
  166    HG   SER  23           HG       SER  23  -3.773  -7.291   0.252
  Start of MODEL   12
    1    H    ALA   1           H        ALA   1   5.367  -6.120  -6.840
    2    HA   ALA   1           HA       ALA   1   6.207  -7.982  -4.720
    3   1HB   ALA   1          1HB       ALA   1   8.047  -6.611  -5.528
    4   2HB   ALA   1          2HB       ALA   1   7.552  -6.099  -3.915
    5   3HB   ALA   1          3HB       ALA   1   7.071  -5.156  -5.326
    6    H    LEU   2           H        LEU   2   4.483  -8.190  -3.424
    7    HA   LEU   2           HA       LEU   2   2.486  -6.168  -3.122
    8   1HB   LEU   2          1HB       LEU   2   2.999  -8.641  -1.465
    9   2HB   LEU   2          2HB       LEU   2   1.560  -7.645  -1.382
   10    HG   LEU   2           HG       LEU   2   2.450  -9.290  -3.753
   11   1HD1  LEU   2          1HD1      LEU   2   1.562 -10.635  -1.934
   12   2HD1  LEU   2          2HD1      LEU   2   0.431 -10.593  -3.286
   13   3HD1  LEU   2          3HD1      LEU   2   0.130  -9.609  -1.854
   14   1HD2  LEU   2          1HD2      LEU   2   0.055  -8.642  -4.504
   15   2HD2  LEU   2          2HD2      LEU   2   1.374  -7.496  -4.745
   16   3HD2  LEU   2          3HD2      LEU   2   0.258  -7.284  -3.396
   17    H    GLN   3           H        GLN   3   5.124  -7.363  -1.051
   18    HA   GLN   3           HA       GLN   3   4.610  -5.707   1.163
   19   1HB   GLN   3          1HB       GLN   3   6.568  -7.614   0.421
   20   2HB   GLN   3          2HB       GLN   3   7.433  -6.153   0.875
   21   1HG   GLN   3          1HG       GLN   3   7.291  -7.105   2.917
   22   2HG   GLN   3          2HG       GLN   3   5.748  -6.253   2.923
   23   1HE2  GLN   3          1HE2      GLN   3   7.309  -9.270   3.090
   24   2HE2  GLN   3          2HE2      GLN   3   5.895 -10.265   3.129
   25    H    GLU   4           H        GLU   4   6.646  -5.226  -1.704
   26    HA   GLU   4           HA       GLU   4   7.741  -2.739  -0.939
   27   1HB   GLU   4          1HB       GLU   4   8.457  -4.321  -2.849
   28   2HB   GLU   4          2HB       GLU   4   7.209  -3.523  -3.796
   29   1HG   GLU   4          1HG       GLU   4   8.318  -1.363  -3.388
   30   2HG   GLU   4          2HG       GLU   4   9.594  -2.209  -2.515
   31    H    LEU   5           H        LEU   5   4.786  -3.630  -2.658
   32    HA   LEU   5           HA       LEU   5   3.997  -1.049  -3.461
   33   1HB   LEU   5          1HB       LEU   5   3.058  -3.456  -4.023
   34   2HB   LEU   5          2HB       LEU   5   1.963  -3.098  -2.702
   35    HG   LEU   5           HG       LEU   5   2.292  -1.338  -5.133
   36   1HD1  LEU   5          1HD1      LEU   5   1.416  -3.549  -5.743
   37   2HD1  LEU   5          2HD1      LEU   5   0.208  -2.279  -5.933
   38   3HD1  LEU   5          3HD1      LEU   5   0.137  -3.362  -4.543
   39   1HD2  LEU   5          1HD2      LEU   5  -0.092  -0.694  -4.210
   40   2HD2  LEU   5          2HD2      LEU   5   1.371   0.053  -3.567
   41   3HD2  LEU   5          3HD2      LEU   5   0.595  -1.265  -2.688
   42    H    LEU   6           H        LEU   6   3.639  -2.790  -0.428
   43    HA   LEU   6           HA       LEU   6   1.665  -1.320   0.845
   44   1HB   LEU   6          1HB       LEU   6   3.167  -3.354   1.553
   45   2HB   LEU   6          2HB       LEU   6   4.079  -2.124   2.386
   46    HG   LEU   6           HG       LEU   6   2.499  -3.192   3.897
   47   1HD1  LEU   6          1HD1      LEU   6   1.594  -1.264   4.874
   48   2HD1  LEU   6          2HD1      LEU   6   1.424  -0.449   3.320
   49   3HD1  LEU   6          3HD1      LEU   6   3.026  -0.705   4.011
   50   1HD2  LEU   6          1HD2      LEU   6   0.102  -3.021   3.574
   51   2HD2  LEU   6          2HD2      LEU   6   0.844  -3.873   2.219
   52   3HD2  LEU   6          3HD2      LEU   6   0.349  -2.191   2.039
   53    H    GLY   7           H        GLY   7   5.179  -0.679   0.799
   54   1HA   GLY   7          1HA       GLY   7   5.103   1.635   2.396
   55   2HA   GLY   7          2HA       GLY   7   6.349   1.251   1.228
   56    H    GLN   8           H        GLN   8   4.418   1.102  -0.981
   57    HA   GLN   8           HA       GLN   8   4.394   3.925  -1.658
   58   1HB   GLN   8          1HB       GLN   8   4.274   1.437  -3.091
   59   2HB   GLN   8          2HB       GLN   8   2.889   2.418  -3.549
   60   1HG   GLN   8          1HG       GLN   8   4.723   2.812  -5.058
   61   2HG   GLN   8          2HG       GLN   8   4.395   4.266  -4.115
   62   1HE2  GLN   8          1HE2      GLN   8   5.946   5.068  -2.774
   63   2HE2  GLN   8          2HE2      GLN   8   7.542   4.409  -2.649
   64    H    TRP   9           H        TRP   9   2.171   1.392  -0.811
   65    HA   TRP   9           HA       TRP   9  -0.284   2.727  -1.172
   66   1HB   TRP   9          1HB       TRP   9   0.037   0.272  -0.950
   67   2HB   TRP   9          2HB       TRP   9   0.473   0.503   0.733
   68    HD1  TRP   9           HD1      TRP   9  -2.546   1.738  -1.346
   69    HE1  TRP   9           HE1      TRP   9  -4.688   1.166  -0.024
   70    HE3  TRP   9           HE3      TRP   9  -0.400  -0.552   2.651
   71    HZ2  TRP   9           HZ2      TRP   9  -5.350  -0.094   2.433
   72    HZ3  TRP   9           HZ3      TRP   9  -1.837  -1.399   4.456
   73    HH2  TRP   9           HH2      TRP   9  -4.261  -1.164   4.343
   74    H    LEU  10           H        LEU  10   1.933   2.357   1.538
   75    HA   LEU  10           HA       LEU  10   0.330   3.703   3.466
   76   1HB   LEU  10          1HB       LEU  10   2.539   2.153   3.608
   77   2HB   LEU  10          2HB       LEU  10   3.267   3.736   3.801
   78    HG   LEU  10           HG       LEU  10   2.761   2.633   5.952
   79   1HD1  LEU  10          1HD1      LEU  10   1.998   4.550   7.033
   80   2HD1  LEU  10          2HD1      LEU  10   0.976   5.024   5.677
   81   3HD1  LEU  10          3HD1      LEU  10   2.730   5.162   5.550
   82   1HD2  LEU  10          1HD2      LEU  10   0.657   1.521   5.048
   83   2HD2  LEU  10          2HD2      LEU  10  -0.147   3.064   5.334
   84   3HD2  LEU  10          3HD2      LEU  10   0.572   2.182   6.680
   85    H    LYS  11           H        LYS  11   2.837   4.755   1.211
   86    HA   LYS  11           HA       LYS  11   3.373   7.297   2.183
   87   1HB   LYS  11          1HB       LYS  11   3.405   6.085  -0.553
   88   2HB   LYS  11          2HB       LYS  11   3.643   7.818  -0.386
   89   1HG   LYS  11          1HG       LYS  11   5.276   6.035   1.331
   90   2HG   LYS  11          2HG       LYS  11   5.660   6.106  -0.390
   91   1HD   LYS  11          1HD       LYS  11   5.255   8.670   1.063
   92   2HD   LYS  11          2HD       LYS  11   6.749   7.776   1.356
   93   1HE   LYS  11          1HE       LYS  11   7.525   8.835  -0.456
   94   2HE   LYS  11          2HE       LYS  11   6.548   7.689  -1.371
   95   1HZ   LYS  11          1HZ       LYS  11   4.763   9.277  -1.451
   96   2HZ   LYS  11          2HZ       LYS  11   6.173  10.009  -2.030
   97   3HZ   LYS  11          3HZ       LYS  11   5.616  10.363  -0.473
   98    H    ASP  12           H        ASP  12   0.750   6.234   0.038
   99    HA   ASP  12           HA       ASP  12  -0.371   8.843  -0.280
  100   1HB   ASP  12          1HB       ASP  12  -0.672   6.799  -1.813
  101   2HB   ASP  12          2HB       ASP  12  -1.874   6.253  -0.651
  102    H    GLY  13           H        GLY  13  -1.018   6.092   1.841
  103   1HA   GLY  13          1HA       GLY  13  -1.707   7.102   4.144
  104   2HA   GLY  13          2HA       GLY  13  -3.116   7.612   3.227
  105    H    GLY  14           H        GLY  14  -1.295   4.565   3.083
  106   1HA   GLY  14          1HA       GLY  14  -2.054   2.402   3.049
  107   2HA   GLY  14          2HA       GLY  14  -2.693   2.869   4.615
  108    HA   PRO  15           HA       PRO  15  -6.455   1.219   2.708
  109   1HB   PRO  15          1HB       PRO  15  -7.410   2.248   5.334
  110   2HB   PRO  15          2HB       PRO  15  -7.731   0.703   4.555
  111   1HG   PRO  15          1HG       PRO  15  -6.011   0.857   6.567
  112   2HG   PRO  15          2HG       PRO  15  -5.656  -0.168   5.164
  113   1HD   PRO  15          1HD       PRO  15  -4.540   2.513   5.877
  114   2HD   PRO  15          2HD       PRO  15  -3.739   1.125   5.124
  115    H    SER  16           H        SER  16  -6.307   4.305   4.497
  116    HA   SER  16           HA       SER  16  -8.661   5.364   3.367
  117   1HB   SER  16          1HB       SER  16  -8.153   7.366   4.484
  118   2HB   SER  16          2HB       SER  16  -7.394   6.128   5.483
  119    HG   SER  16           HG       SER  16  -6.249   8.123   3.951
  120    H    SER  17           H        SER  17  -5.479   5.057   2.076
  121    HA   SER  17           HA       SER  17  -5.216   7.216   0.379
  122   1HB   SER  17          1HB       SER  17  -3.663   5.935  -0.855
  123   2HB   SER  17          2HB       SER  17  -3.589   5.269   0.774
  124    HG   SER  17           HG       SER  17  -4.754   3.516   0.107
  125    H    GLY  18           H        GLY  18  -7.185   4.318  -0.046
  126   1HA   GLY  18          1HA       GLY  18  -9.282   5.032  -1.390
  127   2HA   GLY  18          2HA       GLY  18  -8.098   5.295  -2.664
  128    H    ARG  19           H        ARG  19  -6.414   3.118  -2.218
  129    HA   ARG  19           HA       ARG  19  -8.120   0.935  -3.162
  130   1HB   ARG  19          1HB       ARG  19  -6.074  -0.060  -4.028
  131   2HB   ARG  19          2HB       ARG  19  -6.208   1.607  -4.568
  132   1HG   ARG  19          1HG       ARG  19  -4.479   2.326  -3.205
  133   2HG   ARG  19          2HG       ARG  19  -4.623   0.940  -2.122
  134   1HD   ARG  19          1HD       ARG  19  -3.871   0.489  -4.972
  135   2HD   ARG  19          2HD       ARG  19  -2.657   1.101  -3.852
  136    HE   ARG  19           HE       ARG  19  -2.772  -0.916  -2.650
  137   1HH1  ARG  19          1HH1      ARG  19  -4.880  -0.958  -5.455
  138   2HH1  ARG  19          2HH1      ARG  19  -5.049  -2.679  -5.448
  139   1HH2  ARG  19          1HH2      ARG  19  -3.006  -3.179  -2.655
  140   2HH2  ARG  19          2HH2      ARG  19  -3.988  -3.939  -3.862
  141    HA   PRO  20           HA       PRO  20  -7.510  -1.508   0.473
  142   1HB   PRO  20          1HB       PRO  20  -7.466  -4.023  -0.485
  143   2HB   PRO  20          2HB       PRO  20  -8.928  -3.031  -0.530
  144   1HG   PRO  20          1HG       PRO  20  -6.964  -3.611  -2.712
  145   2HG   PRO  20          2HG       PRO  20  -8.736  -3.563  -2.784
  146   1HD   PRO  20          1HD       PRO  20  -7.132  -1.508  -3.605
  147   2HD   PRO  20          2HD       PRO  20  -8.786  -1.282  -3.006
  148    HA   PRO  21           HA       PRO  21  -3.297  -2.472   1.339
  149   1HB   PRO  21          1HB       PRO  21  -4.068  -5.087   2.476
  150   2HB   PRO  21          2HB       PRO  21  -3.251  -3.718   3.236
  151   1HG   PRO  21          1HG       PRO  21  -5.812  -4.324   3.784
  152   2HG   PRO  21          2HG       PRO  21  -5.228  -2.651   3.750
  153   1HD   PRO  21          1HD       PRO  21  -6.840  -4.139   1.731
  154   2HD   PRO  21          2HD       PRO  21  -6.926  -2.434   2.210
  155    HA   PRO  22           HA       PRO  22  -2.096  -5.153  -2.025
  156   1HB   PRO  22          1HB       PRO  22   0.529  -4.563  -2.015
  157   2HB   PRO  22          2HB       PRO  22  -0.687  -3.426  -2.609
  158   1HG   PRO  22          1HG       PRO  22   0.746  -3.476   0.009
  159   2HG   PRO  22          2HG       PRO  22   0.298  -2.090  -0.999
  160   1HD   PRO  22          1HD       PRO  22  -1.095  -2.924   1.232
  161   2HD   PRO  22          2HD       PRO  22  -1.786  -1.955  -0.078
  162    H    SER  23           H        SER  23  -0.399  -5.155   1.069
  163    HA   SER  23           HA       SER  23  -0.062  -8.053   0.837
  164   1HB   SER  23          1HB       SER  23   2.171  -7.775   2.023
  165   2HB   SER  23          2HB       SER  23   2.125  -7.249   0.343
  166    HG   SER  23           HG       SER  23   2.112  -5.150   0.994
  Start of MODEL   13
    1    H    ALA   1           H        ALA   1   4.310  -7.294  -6.155
    2    HA   ALA   1           HA       ALA   1   5.516  -8.372  -4.422
    3   1HB   ALA   1          1HB       ALA   1   7.676  -7.590  -4.460
    4   2HB   ALA   1          2HB       ALA   1   7.027  -6.726  -3.068
    5   3HB   ALA   1          3HB       ALA   1   7.181  -5.905  -4.621
    6    H    LEU   2           H        LEU   2   4.474  -8.370  -2.491
    7    HA   LEU   2           HA       LEU   2   2.312  -6.552  -2.128
    8   1HB   LEU   2          1HB       LEU   2   3.392  -8.503  -0.099
    9   2HB   LEU   2          2HB       LEU   2   1.781  -7.816  -0.154
   10    HG   LEU   2           HG       LEU   2   2.945  -9.793  -2.119
   11   1HD1  LEU   2          1HD1      LEU   2   0.842 -10.044   0.021
   12   2HD1  LEU   2          2HD1      LEU   2   2.403 -10.861  -0.049
   13   3HD1  LEU   2          3HD1      LEU   2   1.148 -11.257  -1.222
   14   1HD2  LEU   2          1HD2      LEU   2   0.435  -9.818  -2.819
   15   2HD2  LEU   2          2HD2      LEU   2   1.514  -8.578  -3.457
   16   3HD2  LEU   2          3HD2      LEU   2   0.420  -8.196  -2.127
   17    H    GLN   3           H        GLN   3   5.359  -7.088  -0.361
   18    HA   GLN   3           HA       GLN   3   4.931  -5.013   1.531
   19   1HB   GLN   3          1HB       GLN   3   7.302  -6.637   0.685
   20   2HB   GLN   3          2HB       GLN   3   7.534  -5.242   1.728
   21   1HG   GLN   3          1HG       GLN   3   7.366  -7.095   3.157
   22   2HG   GLN   3          2HG       GLN   3   5.817  -6.261   3.269
   23   1HE2  GLN   3          1HE2      GLN   3   7.481  -9.018   1.859
   24   2HE2  GLN   3          2HE2      GLN   3   6.065  -9.984   1.620
   25    H    GLU   4           H        GLU   4   6.602  -5.150  -1.586
   26    HA   GLU   4           HA       GLU   4   7.821  -2.625  -1.505
   27   1HB   GLU   4          1HB       GLU   4   8.146  -4.549  -3.188
   28   2HB   GLU   4          2HB       GLU   4   6.766  -3.865  -4.034
   29   1HG   GLU   4          1HG       GLU   4   7.906  -1.953  -4.629
   30   2HG   GLU   4          2HG       GLU   4   9.083  -2.124  -3.328
   31    H    LEU   5           H        LEU   5   4.638  -3.616  -2.757
   32    HA   LEU   5           HA       LEU   5   3.887  -0.994  -3.586
   33   1HB   LEU   5          1HB       LEU   5   2.919  -3.470  -4.094
   34   2HB   LEU   5          2HB       LEU   5   1.752  -2.921  -2.907
   35    HG   LEU   5           HG       LEU   5   2.422  -1.477  -5.474
   36   1HD1  LEU   5          1HD1      LEU   5  -0.144  -2.891  -4.829
   37   2HD1  LEU   5          2HD1      LEU   5   1.195  -3.704  -5.637
   38   3HD1  LEU   5          3HD1      LEU   5   0.432  -2.304  -6.388
   39   1HD2  LEU   5          1HD2      LEU   5   1.708   0.164  -3.968
   40   2HD2  LEU   5          2HD2      LEU   5   0.516  -0.904  -3.227
   41   3HD2  LEU   5          3HD2      LEU   5   0.247  -0.275  -4.853
   42    H    LEU   6           H        LEU   6   3.597  -2.799  -0.597
   43    HA   LEU   6           HA       LEU   6   1.613  -1.361   0.724
   44   1HB   LEU   6          1HB       LEU   6   3.597  -3.264   1.366
   45   2HB   LEU   6          2HB       LEU   6   3.689  -2.004   2.567
   46    HG   LEU   6           HG       LEU   6   2.209  -4.001   3.102
   47   1HD1  LEU   6          1HD1      LEU   6   1.981  -2.181   4.519
   48   2HD1  LEU   6          2HD1      LEU   6   0.338  -2.442   3.935
   49   3HD1  LEU   6          3HD1      LEU   6   1.321  -1.148   3.252
   50   1HD2  LEU   6          1HD2      LEU   6   1.173  -4.138   0.853
   51   2HD2  LEU   6          2HD2      LEU   6   0.332  -2.626   1.190
   52   3HD2  LEU   6          3HD2      LEU   6  -0.003  -4.056   2.164
   53    H    GLY   7           H        GLY   7   5.110  -0.715   0.523
   54   1HA   GLY   7          1HA       GLY   7   5.111   1.517   2.261
   55   2HA   GLY   7          2HA       GLY   7   6.324   1.164   1.047
   56    H    GLN   8           H        GLN   8   4.539   1.178  -1.192
   57    HA   GLN   8           HA       GLN   8   4.481   4.015  -1.711
   58   1HB   GLN   8          1HB       GLN   8   3.307   1.749  -3.347
   59   2HB   GLN   8          2HB       GLN   8   3.581   3.392  -3.906
   60   1HG   GLN   8          1HG       GLN   8   5.587   1.252  -3.307
   61   2HG   GLN   8          2HG       GLN   8   5.345   2.158  -4.799
   62   1HE2  GLN   8          1HE2      GLN   8   5.753   4.546  -4.610
   63   2HE2  GLN   8          2HE2      GLN   8   7.105   5.040  -3.651
   64    H    TRP   9           H        TRP   9   2.208   1.478  -1.013
   65    HA   TRP   9           HA       TRP   9  -0.216   2.880  -1.302
   66   1HB   TRP   9          1HB       TRP   9  -0.004   0.436  -1.281
   67   2HB   TRP   9          2HB       TRP   9   0.549   0.487   0.382
   68    HD1  TRP   9           HD1      TRP   9  -2.573   1.937  -1.385
   69    HE1  TRP   9           HE1      TRP   9  -4.635   1.297   0.033
   70    HE3  TRP   9           HE3      TRP   9  -0.209  -0.673   2.281
   71    HZ2  TRP   9           HZ2      TRP   9  -5.156  -0.142   2.424
   72    HZ3  TRP   9           HZ3      TRP   9  -1.542  -1.639   4.108
   73    HH2  TRP   9           HH2      TRP   9  -3.965  -1.362   4.172
   74    H    LEU  10           H        LEU  10   1.934   2.240   1.420
   75    HA   LEU  10           HA       LEU  10   0.344   3.451   3.428
   76   1HB   LEU  10          1HB       LEU  10   2.427   1.853   3.569
   77   2HB   LEU  10          2HB       LEU  10   3.321   3.359   3.639
   78    HG   LEU  10           HG       LEU  10   1.423   3.802   5.540
   79   1HD1  LEU  10          1HD1      LEU  10   0.542   1.521   5.294
   80   2HD1  LEU  10          2HD1      LEU  10   1.213   1.809   6.900
   81   3HD1  LEU  10          3HD1      LEU  10   2.129   0.876   5.716
   82   1HD2  LEU  10          1HD2      LEU  10   3.811   4.201   5.774
   83   2HD2  LEU  10          2HD2      LEU  10   4.104   2.465   5.904
   84   3HD2  LEU  10          3HD2      LEU  10   3.194   3.304   7.161
   85    H    LYS  11           H        LYS  11   2.788   4.728   1.231
   86    HA   LYS  11           HA       LYS  11   3.285   7.179   2.482
   87   1HB   LYS  11          1HB       LYS  11   4.514   7.657   0.643
   88   2HB   LYS  11          2HB       LYS  11   4.221   5.972   0.244
   89   1HG   LYS  11          1HG       LYS  11   2.152   6.839  -1.009
   90   2HG   LYS  11          2HG       LYS  11   2.914   8.424  -0.875
   91   1HD   LYS  11          1HD       LYS  11   4.841   7.673  -2.084
   92   2HD   LYS  11          2HD       LYS  11   4.272   6.002  -2.050
   93   1HE   LYS  11          1HE       LYS  11   2.176   7.057  -3.257
   94   2HE   LYS  11          2HE       LYS  11   3.346   8.298  -3.705
   95   1HZ   LYS  11          1HZ       LYS  11   4.727   6.610  -4.710
   96   2HZ   LYS  11          2HZ       LYS  11   3.172   6.535  -5.371
   97   3HZ   LYS  11          3HZ       LYS  11   3.659   5.389  -4.227
   98    H    ASP  12           H        ASP  12   0.572   6.095   0.578
   99    HA   ASP  12           HA       ASP  12  -0.573   8.789   0.510
  100   1HB   ASP  12          1HB       ASP  12  -0.465   7.110  -1.501
  101   2HB   ASP  12          2HB       ASP  12  -1.864   6.374  -0.727
  102    H    GLY  13           H        GLY  13  -0.363   7.404   3.033
  103   1HA   GLY  13          1HA       GLY  13  -1.680   7.215   4.914
  104   2HA   GLY  13          2HA       GLY  13  -3.063   7.684   3.938
  105    H    GLY  14           H        GLY  14  -1.083   4.954   3.019
  106   1HA   GLY  14          1HA       GLY  14  -1.611   2.752   2.713
  107   2HA   GLY  14          2HA       GLY  14  -2.205   2.853   4.362
  108    HA   PRO  15           HA       PRO  15  -6.011   1.345   2.507
  109   1HB   PRO  15          1HB       PRO  15  -6.940   2.227   5.195
  110   2HB   PRO  15          2HB       PRO  15  -7.244   0.715   4.350
  111   1HG   PRO  15          1HG       PRO  15  -5.493   0.806   6.334
  112   2HG   PRO  15          2HG       PRO  15  -5.130  -0.130   4.871
  113   1HD   PRO  15          1HD       PRO  15  -4.093   2.549   5.708
  114   2HD   PRO  15          2HD       PRO  15  -3.250   1.225   4.886
  115    H    SER  16           H        SER  16  -5.800   4.399   4.319
  116    HA   SER  16           HA       SER  16  -8.247   5.453   3.483
  117   1HB   SER  16          1HB       SER  16  -7.534   7.524   4.363
  118   2HB   SER  16          2HB       SER  16  -6.686   6.317   5.329
  119    HG   SER  16           HG       SER  16  -5.696   8.191   3.571
  120    H    SER  17           H        SER  17  -5.247   5.140   1.774
  121    HA   SER  17           HA       SER  17  -5.289   7.172  -0.076
  122   1HB   SER  17          1HB       SER  17  -3.974   5.767  -1.514
  123   2HB   SER  17          2HB       SER  17  -3.533   5.376   0.146
  124    HG   SER  17           HG       SER  17  -4.233   3.674  -1.635
  125    H    GLY  18           H        GLY  18  -7.132   4.143  -0.166
  126   1HA   GLY  18          1HA       GLY  18  -9.452   4.709  -1.184
  127   2HA   GLY  18          2HA       GLY  18  -8.485   5.041  -2.615
  128    H    ARG  19           H        ARG  19  -6.639   3.018  -2.561
  129    HA   ARG  19           HA       ARG  19  -8.270   0.758  -3.345
  130   1HB   ARG  19          1HB       ARG  19  -6.192  -0.192  -4.208
  131   2HB   ARG  19          2HB       ARG  19  -6.391   1.465  -4.761
  132   1HG   ARG  19          1HG       ARG  19  -4.748   2.259  -3.243
  133   2HG   ARG  19          2HG       ARG  19  -4.695   0.714  -2.393
  134   1HD   ARG  19          1HD       ARG  19  -2.766   0.838  -3.791
  135   2HD   ARG  19          2HD       ARG  19  -3.874  -0.333  -4.506
  136    HE   ARG  19           HE       ARG  19  -4.234   2.280  -5.593
  137   1HH1  ARG  19          1HH1      ARG  19  -2.196  -0.561  -5.774
  138   2HH1  ARG  19          2HH1      ARG  19  -1.718  -0.263  -7.411
  139   1HH2  ARG  19          1HH2      ARG  19  -3.603   2.667  -7.749
  140   2HH2  ARG  19          2HH2      ARG  19  -2.516   1.570  -8.533
  141    HA   PRO  20           HA       PRO  20  -7.745  -1.635   0.330
  142   1HB   PRO  20          1HB       PRO  20  -7.733  -4.161  -0.665
  143   2HB   PRO  20          2HB       PRO  20  -9.193  -3.169  -0.585
  144   1HG   PRO  20          1HG       PRO  20  -7.383  -3.692  -2.911
  145   2HG   PRO  20          2HG       PRO  20  -9.156  -3.651  -2.858
  146   1HD   PRO  20          1HD       PRO  20  -7.673  -1.574  -3.769
  147   2HD   PRO  20          2HD       PRO  20  -9.232  -1.350  -2.950
  148    HA   PRO  21           HA       PRO  21  -3.520  -2.534   1.217
  149   1HB   PRO  21          1HB       PRO  21  -4.427  -5.151   2.307
  150   2HB   PRO  21          2HB       PRO  21  -3.442  -3.893   3.063
  151   1HG   PRO  21          1HG       PRO  21  -6.006  -4.223   3.730
  152   2HG   PRO  21          2HG       PRO  21  -5.281  -2.609   3.632
  153   1HD   PRO  21          1HD       PRO  21  -7.144  -3.967   1.752
  154   2HD   PRO  21          2HD       PRO  21  -7.006  -2.248   2.159
  155    HA   PRO  22           HA       PRO  22  -2.580  -5.078  -2.398
  156   1HB   PRO  22          1HB       PRO  22   0.137  -4.038  -2.029
  157   2HB   PRO  22          2HB       PRO  22  -0.969  -3.817  -3.386
  158   1HG   PRO  22          1HG       PRO  22  -0.335  -1.811  -1.695
  159   2HG   PRO  22          2HG       PRO  22  -1.924  -1.935  -2.474
  160   1HD   PRO  22          1HD       PRO  22  -1.117  -2.670   0.314
  161   2HD   PRO  22          2HD       PRO  22  -2.586  -1.854  -0.254
  162    H    SER  23           H        SER  23  -2.890  -6.860  -0.745
  163    HA   SER  23           HA       SER  23  -0.363  -8.275  -0.422
  164   1HB   SER  23          1HB       SER  23  -0.969  -7.072   1.744
  165   2HB   SER  23          2HB       SER  23  -2.344  -8.171   1.854
  166    HG   SER  23           HG       SER  23  -1.031  -9.803   2.277
  Start of MODEL   14
    1    H    ALA   1           H        ALA   1   8.630  -7.705  -3.925
    2    HA   ALA   1           HA       ALA   1   6.690  -6.771  -4.852
    3   1HB   ALA   1          1HB       ALA   1   6.894  -9.058  -5.311
    4   2HB   ALA   1          2HB       ALA   1   5.227  -8.848  -4.776
    5   3HB   ALA   1          3HB       ALA   1   6.432  -9.509  -3.670
    6    H    LEU   2           H        LEU   2   5.595  -8.449  -1.953
    7    HA   LEU   2           HA       LEU   2   3.208  -6.916  -1.743
    8   1HB   LEU   2          1HB       LEU   2   4.576  -8.799   0.174
    9   2HB   LEU   2          2HB       LEU   2   3.047  -8.018   0.533
   10    HG   LEU   2           HG       LEU   2   3.400  -9.722  -1.920
   11   1HD1  LEU   2          1HD1      LEU   2   2.476 -11.595  -0.669
   12   2HD1  LEU   2          2HD1      LEU   2   2.513 -10.637   0.811
   13   3HD1  LEU   2          3HD1      LEU   2   4.020 -11.082   0.011
   14   1HD2  LEU   2          1HD2      LEU   2   1.456  -8.289  -1.913
   15   2HD2  LEU   2          2HD2      LEU   2   1.006  -8.855  -0.304
   16   3HD2  LEU   2          3HD2      LEU   2   0.954  -9.963  -1.675
   17    H    GLN   3           H        GLN   3   6.204  -6.978   0.191
   18    HA   GLN   3           HA       GLN   3   5.478  -4.820   1.871
   19   1HB   GLN   3          1HB       GLN   3   7.932  -4.727   2.413
   20   2HB   GLN   3          2HB       GLN   3   7.178  -6.295   2.651
   21   1HG   GLN   3          1HG       GLN   3   9.134  -6.896   1.636
   22   2HG   GLN   3          2HG       GLN   3   8.068  -6.770   0.241
   23   1HE2  GLN   3          1HE2      GLN   3  10.064  -4.567   2.205
   24   2HE2  GLN   3          2HE2      GLN   3  10.809  -3.778   0.858
   25    H    GLU   4           H        GLU   4   6.964  -4.967  -1.295
   26    HA   GLU   4           HA       GLU   4   7.966  -2.304  -1.335
   27   1HB   GLU   4          1HB       GLU   4   8.574  -4.290  -2.874
   28   2HB   GLU   4          2HB       GLU   4   7.138  -3.845  -3.784
   29   1HG   GLU   4          1HG       GLU   4   8.088  -1.565  -4.050
   30   2HG   GLU   4          2HG       GLU   4   9.565  -2.143  -3.280
   31    H    LEU   5           H        LEU   5   4.988  -3.819  -2.553
   32    HA   LEU   5           HA       LEU   5   3.882  -1.436  -3.624
   33   1HB   LEU   5          1HB       LEU   5   3.252  -4.084  -3.778
   34   2HB   LEU   5          2HB       LEU   5   1.994  -3.499  -2.706
   35    HG   LEU   5           HG       LEU   5   2.578  -2.480  -5.487
   36   1HD1  LEU   5          1HD1      LEU   5   0.936  -3.798  -6.257
   37   2HD1  LEU   5          2HD1      LEU   5  -0.061  -3.571  -4.820
   38   3HD1  LEU   5          3HD1      LEU   5   1.252  -4.748  -4.806
   39   1HD2  LEU   5          1HD2      LEU   5   0.400  -1.232  -5.091
   40   2HD2  LEU   5          2HD2      LEU   5   1.832  -0.612  -4.270
   41   3HD2  LEU   5          3HD2      LEU   5   0.647  -1.562  -3.376
   42    H    LEU   6           H        LEU   6   3.798  -2.928  -0.447
   43    HA   LEU   6           HA       LEU   6   1.664  -1.469   0.669
   44   1HB   LEU   6          1HB       LEU   6   3.183  -3.466   1.526
   45   2HB   LEU   6          2HB       LEU   6   3.987  -2.171   2.377
   46    HG   LEU   6           HG       LEU   6   2.354  -3.210   3.826
   47   1HD1  LEU   6          1HD1      LEU   6   1.192  -1.289   4.566
   48   2HD1  LEU   6          2HD1      LEU   6   1.206  -0.572   2.955
   49   3HD1  LEU   6          3HD1      LEU   6   2.708  -0.717   3.867
   50   1HD2  LEU   6          1HD2      LEU   6   0.291  -2.480   1.752
   51   2HD2  LEU   6          2HD2      LEU   6  -0.014  -3.239   3.313
   52   3HD2  LEU   6          3HD2      LEU   6   0.887  -4.110   2.072
   53    H    GLY   7           H        GLY   7   5.138  -0.770   0.436
   54   1HA   GLY   7          1HA       GLY   7   5.064   1.606   1.993
   55   2HA   GLY   7          2HA       GLY   7   6.307   1.175   0.833
   56    H    GLN   8           H        GLN   8   4.243   0.843  -1.289
   57    HA   GLN   8           HA       GLN   8   4.194   3.609  -2.181
   58   1HB   GLN   8          1HB       GLN   8   4.615   1.537  -3.658
   59   2HB   GLN   8          2HB       GLN   8   2.880   1.273  -3.569
   60   1HG   GLN   8          1HG       GLN   8   3.259   2.422  -5.581
   61   2HG   GLN   8          2HG       GLN   8   2.600   3.614  -4.462
   62   1HE2  GLN   8          1HE2      GLN   8   3.869   5.310  -3.785
   63   2HE2  GLN   8          2HE2      GLN   8   5.416   5.663  -4.474
   64    H    TRP   9           H        TRP   9   2.106   1.258  -0.784
   65    HA   TRP   9           HA       TRP   9  -0.381   2.613  -1.248
   66   1HB   TRP   9          1HB       TRP   9  -0.121   0.141  -1.054
   67   2HB   TRP   9          2HB       TRP   9   0.326   0.355   0.630
   68    HD1  TRP   9           HD1      TRP   9  -2.626   1.860  -1.354
   69    HE1  TRP   9           HE1      TRP   9  -4.793   1.320  -0.060
   70    HE3  TRP   9           HE3      TRP   9  -0.609  -0.880   2.418
   71    HZ2  TRP   9           HZ2      TRP   9  -5.520  -0.087   2.291
   72    HZ3  TRP   9           HZ3      TRP   9  -2.088  -1.782   4.164
   73    HH2  TRP   9           HH2      TRP   9  -4.495  -1.382   4.096
   74    H    LEU  10           H        LEU  10   1.927   2.187   1.369
   75    HA   LEU  10           HA       LEU  10   0.395   3.497   3.377
   76   1HB   LEU  10          1HB       LEU  10   2.273   1.844   3.727
   77   2HB   LEU  10          2HB       LEU  10   3.384   3.145   3.346
   78    HG   LEU  10           HG       LEU  10   2.361   4.436   5.269
   79   1HD1  LEU  10          1HD1      LEU  10   1.126   1.742   5.815
   80   2HD1  LEU  10          2HD1      LEU  10   0.281   3.258   5.507
   81   3HD1  LEU  10          3HD1      LEU  10   1.221   3.057   6.985
   82   1HD2  LEU  10          1HD2      LEU  10   3.721   1.821   5.912
   83   2HD2  LEU  10          2HD2      LEU  10   3.654   3.242   6.954
   84   3HD2  LEU  10          3HD2      LEU  10   4.530   3.311   5.425
   85    H    LYS  11           H        LYS  11   2.885   4.606   1.113
   86    HA   LYS  11           HA       LYS  11   3.404   7.110   2.227
   87   1HB   LYS  11          1HB       LYS  11   4.245   7.772   0.070
   88   2HB   LYS  11          2HB       LYS  11   4.690   6.097   0.357
   89   1HG   LYS  11          1HG       LYS  11   3.910   5.723  -1.694
   90   2HG   LYS  11          2HG       LYS  11   2.309   5.845  -0.965
   91   1HD   LYS  11          1HD       LYS  11   2.534   8.372  -1.396
   92   2HD   LYS  11          2HD       LYS  11   3.849   7.923  -2.484
   93   1HE   LYS  11          1HE       LYS  11   1.814   6.195  -3.185
   94   2HE   LYS  11          2HE       LYS  11   0.967   7.702  -2.839
   95   1HZ   LYS  11          1HZ       LYS  11   1.678   7.478  -5.176
   96   2HZ   LYS  11          2HZ       LYS  11   3.292   7.476  -4.673
   97   3HZ   LYS  11          3HZ       LYS  11   2.330   8.844  -4.420
   98    H    ASP  12           H        ASP  12   0.729   6.024   0.223
   99    HA   ASP  12           HA       ASP  12  -0.351   8.668  -0.159
  100   1HB   ASP  12          1HB       ASP  12  -0.631   6.569  -1.679
  101   2HB   ASP  12          2HB       ASP  12  -1.910   6.126  -0.558
  102    H    GLY  13           H        GLY  13  -0.865   5.951   2.015
  103   1HA   GLY  13          1HA       GLY  13  -1.591   6.858   4.297
  104   2HA   GLY  13          2HA       GLY  13  -2.985   7.454   3.410
  105    H    GLY  14           H        GLY  14  -1.296   4.342   3.100
  106   1HA   GLY  14          1HA       GLY  14  -2.146   2.217   2.988
  107   2HA   GLY  14          2HA       GLY  14  -2.727   2.638   4.590
  108    HA   PRO  15           HA       PRO  15  -6.591   1.223   2.682
  109   1HB   PRO  15          1HB       PRO  15  -7.427   2.127   5.395
  110   2HB   PRO  15          2HB       PRO  15  -7.841   0.651   4.533
  111   1HG   PRO  15          1HG       PRO  15  -6.059   0.597   6.493
  112   2HG   PRO  15          2HG       PRO  15  -5.785  -0.345   5.014
  113   1HD   PRO  15          1HD       PRO  15  -4.538   2.237   5.868
  114   2HD   PRO  15          2HD       PRO  15  -3.818   0.872   5.001
  115    H    SER  16           H        SER  16  -6.164   4.206   4.567
  116    HA   SER  16           HA       SER  16  -8.530   5.446   3.664
  117   1HB   SER  16          1HB       SER  16  -7.071   6.039   5.707
  118   2HB   SER  16          2HB       SER  16  -6.099   6.974   4.572
  119    HG   SER  16           HG       SER  16  -7.661   8.402   4.388
  120    H    SER  17           H        SER  17  -5.422   5.063   2.184
  121    HA   SER  17           HA       SER  17  -5.105   7.244   0.564
  122   1HB   SER  17          1HB       SER  17  -3.835   5.862  -0.920
  123   2HB   SER  17          2HB       SER  17  -3.606   5.210   0.702
  124    HG   SER  17           HG       SER  17  -4.187   3.751  -1.202
  125    H    GLY  18           H        GLY  18  -7.316   4.525   0.054
  126   1HA   GLY  18          1HA       GLY  18  -9.444   5.526  -1.063
  127   2HA   GLY  18          2HA       GLY  18  -8.329   5.785  -2.397
  128    H    ARG  19           H        ARG  19  -6.840   3.323  -1.869
  129    HA   ARG  19           HA       ARG  19  -8.827   1.369  -2.827
  130   1HB   ARG  19          1HB       ARG  19  -6.873   0.295  -4.006
  131   2HB   ARG  19          2HB       ARG  19  -7.345   1.869  -4.628
  132   1HG   ARG  19          1HG       ARG  19  -5.347   2.743  -4.200
  133   2HG   ARG  19          2HG       ARG  19  -5.325   2.086  -2.563
  134   1HD   ARG  19          1HD       ARG  19  -4.592  -0.072  -3.430
  135   2HD   ARG  19          2HD       ARG  19  -4.638   0.563  -5.074
  136    HE   ARG  19           HE       ARG  19  -2.933   2.251  -4.068
  137   1HH1  ARG  19          1HH1      ARG  19  -3.117  -1.182  -3.360
  138   2HH1  ARG  19          2HH1      ARG  19  -1.431  -1.316  -2.997
  139   1HH2  ARG  19          1HH2      ARG  19  -0.719   2.058  -3.589
  140   2HH2  ARG  19          2HH2      ARG  19  -0.071   0.521  -3.126
  141    HA   PRO  20           HA       PRO  20  -7.795  -1.366   0.479
  142   1HB   PRO  20          1HB       PRO  20  -7.657  -3.630  -1.401
  143   2HB   PRO  20          2HB       PRO  20  -8.790  -3.338  -0.080
  144   1HG   PRO  20          1HG       PRO  20  -9.542  -3.149  -2.650
  145   2HG   PRO  20          2HG       PRO  20 -10.213  -2.086  -1.398
  146   1HD   PRO  20          1HD       PRO  20  -8.084  -1.518  -3.430
  147   2HD   PRO  20          2HD       PRO  20  -9.426  -0.488  -2.884
  148    HA   PRO  21           HA       PRO  21  -3.495  -2.334   0.749
  149   1HB   PRO  21          1HB       PRO  21  -3.451  -4.921   1.697
  150   2HB   PRO  21          2HB       PRO  21  -3.727  -3.494   2.699
  151   1HG   PRO  21          1HG       PRO  21  -5.709  -5.403   1.532
  152   2HG   PRO  21          2HG       PRO  21  -5.686  -4.652   3.138
  153   1HD   PRO  21          1HD       PRO  21  -7.298  -3.754   1.189
  154   2HD   PRO  21          2HD       PRO  21  -6.538  -2.645   2.350
  155    HA   PRO  22           HA       PRO  22  -2.290  -4.454  -2.949
  156   1HB   PRO  22          1HB       PRO  22   0.363  -4.730  -2.508
  157   2HB   PRO  22          2HB       PRO  22  -0.384  -3.168  -2.852
  158   1HG   PRO  22          1HG       PRO  22   0.444  -4.333  -0.225
  159   2HG   PRO  22          2HG       PRO  22   0.641  -2.678  -0.829
  160   1HD   PRO  22          1HD       PRO  22  -1.336  -3.418   0.896
  161   2HD   PRO  22          2HD       PRO  22  -1.501  -2.085  -0.261
  162    H    SER  23           H        SER  23  -3.607  -6.325  -1.965
  163    HA   SER  23           HA       SER  23  -1.834  -8.579  -1.335
  164   1HB   SER  23          1HB       SER  23  -3.991  -9.639  -0.434
  165   2HB   SER  23          2HB       SER  23  -3.292  -8.322   0.506
  166    HG   SER  23           HG       SER  23  -4.942  -7.072   0.010
  Start of MODEL   15
    1    H    ALA   1           H        ALA   1   3.154  -8.861  -5.020
    2    HA   ALA   1           HA       ALA   1   5.537  -7.778  -3.673
    3   1HB   ALA   1          1HB       ALA   1   5.468  -7.094  -5.984
    4   2HB   ALA   1          2HB       ALA   1   5.010  -5.732  -4.961
    5   3HB   ALA   1          3HB       ALA   1   3.772  -6.635  -5.835
    6    H    LEU   2           H        LEU   2   4.509  -8.109  -1.631
    7    HA   LEU   2           HA       LEU   2   2.056  -6.567  -1.160
    8   1HB   LEU   2          1HB       LEU   2   3.400  -8.288   0.897
    9   2HB   LEU   2          2HB       LEU   2   1.715  -7.823   0.784
   10    HG   LEU   2           HG       LEU   2   3.075  -9.735  -1.117
   11   1HD1  LEU   2          1HD1      LEU   2   1.256 -10.328   1.213
   12   2HD1  LEU   2          2HD1      LEU   2   2.992 -10.639   1.159
   13   3HD1  LEU   2          3HD1      LEU   2   1.907 -11.503   0.069
   14   1HD2  LEU   2          1HD2      LEU   2   0.166  -9.054  -0.694
   15   2HD2  LEU   2          2HD2      LEU   2   0.789 -10.288  -1.790
   16   3HD2  LEU   2          3HD2      LEU   2   1.152  -8.586  -2.080
   17    H    GLN   3           H        GLN   3   5.256  -7.071   0.342
   18    HA   GLN   3           HA       GLN   3   5.051  -4.801   2.047
   19   1HB   GLN   3          1HB       GLN   3   6.490  -6.761   2.531
   20   2HB   GLN   3          2HB       GLN   3   7.525  -6.311   1.184
   21   1HG   GLN   3          1HG       GLN   3   7.112  -4.138   3.077
   22   2HG   GLN   3          2HG       GLN   3   7.854  -5.563   3.802
   23   1HE2  GLN   3          1HE2      GLN   3   8.292  -2.863   1.745
   24   2HE2  GLN   3          2HE2      GLN   3   9.950  -3.154   1.342
   25    H    GLU   4           H        GLU   4   6.694  -5.396  -1.046
   26    HA   GLU   4           HA       GLU   4   8.033  -2.957  -1.281
   27   1HB   GLU   4          1HB       GLU   4   7.032  -4.975  -3.255
   28   2HB   GLU   4          2HB       GLU   4   7.674  -3.446  -3.839
   29   1HG   GLU   4          1HG       GLU   4   9.422  -5.064  -3.879
   30   2HG   GLU   4          2HG       GLU   4   9.768  -3.909  -2.593
   31    H    LEU   5           H        LEU   5   4.791  -3.871  -2.443
   32    HA   LEU   5           HA       LEU   5   4.199  -1.280  -3.480
   33   1HB   LEU   5          1HB       LEU   5   3.152  -3.617  -4.024
   34   2HB   LEU   5          2HB       LEU   5   2.078  -3.235  -2.693
   35    HG   LEU   5           HG       LEU   5   2.433  -1.312  -4.970
   36   1HD1  LEU   5          1HD1      LEU   5   0.482  -2.329  -6.051
   37   2HD1  LEU   5          2HD1      LEU   5   0.515  -3.635  -4.866
   38   3HD1  LEU   5          3HD1      LEU   5   1.855  -3.436  -5.994
   39   1HD2  LEU   5          1HD2      LEU   5  -0.179  -1.294  -4.071
   40   2HD2  LEU   5          2HD2      LEU   5   1.083  -0.142  -3.637
   41   3HD2  LEU   5          3HD2      LEU   5   0.766  -1.534  -2.601
   42    H    LEU   6           H        LEU   6   3.829  -2.807  -0.359
   43    HA   LEU   6           HA       LEU   6   1.854  -1.280   0.832
   44   1HB   LEU   6          1HB       LEU   6   3.723  -3.137   1.641
   45   2HB   LEU   6          2HB       LEU   6   4.104  -1.737   2.609
   46    HG   LEU   6           HG       LEU   6   2.572  -3.305   3.748
   47   1HD1  LEU   6          1HD1      LEU   6   0.841  -1.603   4.352
   48   2HD1  LEU   6          2HD1      LEU   6   1.503  -0.571   3.084
   49   3HD1  LEU   6          3HD1      LEU   6   2.508  -1.037   4.457
   50   1HD2  LEU   6          1HD2      LEU   6   0.269  -3.529   3.001
   51   2HD2  LEU   6          2HD2      LEU   6   1.381  -4.125   1.768
   52   3HD2  LEU   6          3HD2      LEU   6   0.617  -2.546   1.579
   53    H    GLY   7           H        GLY   7   5.331  -0.540   0.563
   54   1HA   GLY   7          1HA       GLY   7   5.273   1.842   2.068
   55   2HA   GLY   7          2HA       GLY   7   6.466   1.437   0.850
   56    H    GLN   8           H        GLN   8   4.500   1.151  -1.276
   57    HA   GLN   8           HA       GLN   8   4.334   3.933  -2.059
   58   1HB   GLN   8          1HB       GLN   8   4.767   1.914  -3.606
   59   2HB   GLN   8          2HB       GLN   8   3.038   1.615  -3.496
   60   1HG   GLN   8          1HG       GLN   8   3.423   2.831  -5.490
   61   2HG   GLN   8          2HG       GLN   8   2.664   3.935  -4.344
   62   1HE2  GLN   8          1HE2      GLN   8   3.801   5.685  -3.585
   63   2HE2  GLN   8          2HE2      GLN   8   5.339   6.159  -4.218
   64    H    TRP   9           H        TRP   9   2.186   1.358  -1.097
   65    HA   TRP   9           HA       TRP   9  -0.298   2.657  -1.373
   66   1HB   TRP   9          1HB       TRP   9   0.063   0.212  -1.145
   67   2HB   TRP   9          2HB       TRP   9   0.553   0.461   0.520
   68    HD1  TRP   9           HD1      TRP   9  -2.551   1.811  -1.362
   69    HE1  TRP   9           HE1      TRP   9  -4.635   1.160   0.013
   70    HE3  TRP   9           HE3      TRP   9  -0.251  -0.818   2.325
   71    HZ2  TRP   9           HZ2      TRP   9  -5.199  -0.287   2.390
   72    HZ3  TRP   9           HZ3      TRP   9  -1.610  -1.801   4.123
   73    HH2  TRP   9           HH2      TRP   9  -4.034  -1.531   4.149
   74    H    LEU  10           H        LEU  10   2.046   2.397   1.232
   75    HA   LEU  10           HA       LEU  10   0.491   3.679   3.236
   76   1HB   LEU  10          1HB       LEU  10   2.418   2.194   3.696
   77   2HB   LEU  10          2HB       LEU  10   3.492   3.419   3.045
   78    HG   LEU  10           HG       LEU  10   2.663   4.970   4.855
   79   1HD1  LEU  10          1HD1      LEU  10   0.586   3.879   5.407
   80   2HD1  LEU  10          2HD1      LEU  10   1.634   3.894   6.825
   81   3HD1  LEU  10          3HD1      LEU  10   1.443   2.414   5.885
   82   1HD2  LEU  10          1HD2      LEU  10   4.007   2.435   5.783
   83   2HD2  LEU  10          2HD2      LEU  10   4.093   4.017   6.558
   84   3HD2  LEU  10          3HD2      LEU  10   4.814   3.774   4.967
   85    H    LYS  11           H        LYS  11   2.733   4.851   0.785
   86    HA   LYS  11           HA       LYS  11   3.233   7.417   1.723
   87   1HB   LYS  11          1HB       LYS  11   4.228   6.272  -0.317
   88   2HB   LYS  11          2HB       LYS  11   2.772   6.743  -1.183
   89   1HG   LYS  11          1HG       LYS  11   3.259   9.076  -0.827
   90   2HG   LYS  11          2HG       LYS  11   4.652   8.664   0.175
   91   1HD   LYS  11          1HD       LYS  11   5.962   8.256  -1.607
   92   2HD   LYS  11          2HD       LYS  11   4.673   7.434  -2.487
   93   1HE   LYS  11          1HE       LYS  11   5.115   9.334  -3.770
   94   2HE   LYS  11          2HE       LYS  11   3.681   9.767  -2.842
   95   1HZ   LYS  11          1HZ       LYS  11   6.460  10.515  -2.104
   96   2HZ   LYS  11          2HZ       LYS  11   5.045  11.000  -1.314
   97   3HZ   LYS  11          3HZ       LYS  11   5.360  11.536  -2.886
   98    H    ASP  12           H        ASP  12   0.489   6.216  -0.179
   99    HA   ASP  12           HA       ASP  12  -0.790   8.775  -0.357
  100   1HB   ASP  12          1HB       ASP  12  -1.072   6.823  -1.970
  101   2HB   ASP  12          2HB       ASP  12  -2.095   6.078  -0.755
  102    H    GLY  13           H        GLY  13  -0.934   6.035   1.836
  103   1HA   GLY  13          1HA       GLY  13  -1.580   6.878   4.157
  104   2HA   GLY  13          2HA       GLY  13  -3.069   7.375   3.370
  105    H    GLY  14           H        GLY  14  -1.231   4.377   2.878
  106   1HA   GLY  14          1HA       GLY  14  -1.948   2.202   2.843
  107   2HA   GLY  14          2HA       GLY  14  -2.417   2.585   4.490
  108    HA   PRO  15           HA       PRO  15  -6.335   0.944   2.910
  109   1HB   PRO  15          1HB       PRO  15  -7.019   1.811   5.676
  110   2HB   PRO  15          2HB       PRO  15  -7.393   0.302   4.853
  111   1HG   PRO  15          1HG       PRO  15  -5.467   0.407   6.682
  112   2HG   PRO  15          2HG       PRO  15  -5.259  -0.558   5.208
  113   1HD   PRO  15          1HD       PRO  15  -4.082   2.096   5.912
  114   2HD   PRO  15          2HD       PRO  15  -3.373   0.759   4.992
  115    H    SER  16           H        SER  16  -6.008   3.923   4.839
  116    HA   SER  16           HA       SER  16  -8.481   5.018   4.001
  117   1HB   SER  16          1HB       SER  16  -7.079   5.626   6.075
  118   2HB   SER  16          2HB       SER  16  -6.164   6.669   4.988
  119    HG   SER  16           HG       SER  16  -7.810   8.001   4.863
  120    H    SER  17           H        SER  17  -5.377   4.891   2.489
  121    HA   SER  17           HA       SER  17  -5.190   7.169   0.980
  122   1HB   SER  17          1HB       SER  17  -3.828   5.963  -0.532
  123   2HB   SER  17          2HB       SER  17  -3.610   5.164   1.019
  124    HG   SER  17           HG       SER  17  -3.978   3.744  -0.817
  125    H    GLY  18           H        GLY  18  -7.192   4.324   0.288
  126   1HA   GLY  18          1HA       GLY  18  -9.418   5.184  -0.733
  127   2HA   GLY  18          2HA       GLY  18  -8.355   5.699  -2.036
  128    H    ARG  19           H        ARG  19  -6.580   3.484  -1.956
  129    HA   ARG  19           HA       ARG  19  -8.291   1.455  -3.197
  130   1HB   ARG  19          1HB       ARG  19  -6.206   0.630  -4.228
  131   2HB   ARG  19          2HB       ARG  19  -6.505   2.321  -4.602
  132   1HG   ARG  19          1HG       ARG  19  -4.546   2.914  -3.753
  133   2HG   ARG  19          2HG       ARG  19  -4.907   2.111  -2.227
  134   1HD   ARG  19          1HD       ARG  19  -2.860   1.254  -3.311
  135   2HD   ARG  19          2HD       ARG  19  -4.086   0.014  -3.074
  136    HE   ARG  19           HE       ARG  19  -3.304   1.224  -5.632
  137   1HH1  ARG  19          1HH1      ARG  19  -5.114  -1.227  -3.887
  138   2HH1  ARG  19          2HH1      ARG  19  -5.433  -2.166  -5.304
  139   1HH2  ARG  19          1HH2      ARG  19  -3.736  -0.025  -7.486
  140   2HH2  ARG  19          2HH2      ARG  19  -4.654  -1.486  -7.343
  141    HA   PRO  20           HA       PRO  20  -7.562  -1.483   0.021
  142   1HB   PRO  20          1HB       PRO  20  -7.596  -3.825  -1.325
  143   2HB   PRO  20          2HB       PRO  20  -9.050  -2.846  -1.094
  144   1HG   PRO  20          1HG       PRO  20  -7.259  -3.042  -3.486
  145   2HG   PRO  20          2HG       PRO  20  -9.031  -3.012  -3.415
  146   1HD   PRO  20          1HD       PRO  20  -7.535  -0.826  -4.026
  147   2HD   PRO  20          2HD       PRO  20  -9.109  -0.724  -3.210
  148    HA   PRO  21           HA       PRO  21  -3.297  -2.498   0.576
  149   1HB   PRO  21          1HB       PRO  21  -4.149  -5.261   1.282
  150   2HB   PRO  21          2HB       PRO  21  -3.150  -4.123   2.193
  151   1HG   PRO  21          1HG       PRO  21  -5.687  -4.599   2.884
  152   2HG   PRO  21          2HG       PRO  21  -4.980  -2.980   3.026
  153   1HD   PRO  21          1HD       PRO  21  -6.896  -4.042   1.011
  154   2HD   PRO  21          2HD       PRO  21  -6.762  -2.410   1.693
  155    HA   PRO  22           HA       PRO  22  -1.922  -4.377  -3.195
  156   1HB   PRO  22          1HB       PRO  22   0.605  -5.120  -2.393
  157   2HB   PRO  22          2HB       PRO  22   0.154  -3.489  -2.894
  158   1HG   PRO  22          1HG       PRO  22   0.417  -4.619  -0.138
  159   2HG   PRO  22          2HG       PRO  22   0.932  -3.038  -0.755
  160   1HD   PRO  22          1HD       PRO  22  -1.307  -3.303   0.692
  161   2HD   PRO  22          2HD       PRO  22  -1.217  -2.166  -0.668
  162    H    SER  23           H        SER  23  -3.417  -6.127  -3.031
  163    HA   SER  23           HA       SER  23  -2.105  -8.684  -2.798
  164   1HB   SER  23          1HB       SER  23  -3.938  -9.585  -1.272
  165   2HB   SER  23          2HB       SER  23  -2.742  -8.537  -0.511
  166    HG   SER  23           HG       SER  23  -4.212  -6.991  -0.279
  Start of MODEL   16
    1    H    ALA   1           H        ALA   1   4.964  -7.015  -6.110
    2    HA   ALA   1           HA       ALA   1   6.037  -8.302  -4.433
    3   1HB   ALA   1          1HB       ALA   1   7.633  -6.949  -2.920
    4   2HB   ALA   1          2HB       ALA   1   7.845  -5.918  -4.335
    5   3HB   ALA   1          3HB       ALA   1   8.258  -7.630  -4.422
    6    H    LEU   2           H        LEU   2   4.969  -8.352  -2.504
    7    HA   LEU   2           HA       LEU   2   2.858  -6.523  -2.079
    8   1HB   LEU   2          1HB       LEU   2   3.948  -8.895  -0.682
    9   2HB   LEU   2          2HB       LEU   2   3.008  -7.787   0.300
   10    HG   LEU   2           HG       LEU   2   1.266  -8.015  -1.665
   11   1HD1  LEU   2          1HD1      LEU   2   1.260 -10.247  -2.637
   12   2HD1  LEU   2          2HD1      LEU   2   2.795 -10.607  -1.846
   13   3HD1  LEU   2          3HD1      LEU   2   2.716  -9.364  -3.095
   14   1HD2  LEU   2          1HD2      LEU   2   1.730 -10.110   0.454
   15   2HD2  LEU   2          2HD2      LEU   2   0.227  -9.889  -0.443
   16   3HD2  LEU   2          3HD2      LEU   2   0.810  -8.616   0.628
   17    H    GLN   3           H        GLN   3   5.986  -6.958  -0.444
   18    HA   GLN   3           HA       GLN   3   5.605  -5.029   1.570
   19   1HB   GLN   3          1HB       GLN   3   7.994  -6.339   0.336
   20   2HB   GLN   3          2HB       GLN   3   8.237  -4.957   1.395
   21   1HG   GLN   3          1HG       GLN   3   6.919  -6.166   3.140
   22   2HG   GLN   3          2HG       GLN   3   6.931  -7.577   2.082
   23   1HE2  GLN   3          1HE2      GLN   3   8.934  -5.388   3.958
   24   2HE2  GLN   3          2HE2      GLN   3  10.285  -6.459   4.112
   25    H    GLU   4           H        GLU   4   7.027  -4.781  -1.676
   26    HA   GLU   4           HA       GLU   4   7.808  -2.073  -1.482
   27   1HB   GLU   4          1HB       GLU   4   7.102  -3.682  -3.945
   28   2HB   GLU   4          2HB       GLU   4   7.948  -2.142  -3.944
   29   1HG   GLU   4          1HG       GLU   4   8.917  -4.792  -2.924
   30   2HG   GLU   4          2HG       GLU   4   9.589  -3.807  -4.221
   31    H    LEU   5           H        LEU   5   4.841  -3.613  -2.678
   32    HA   LEU   5           HA       LEU   5   3.596  -1.235  -3.578
   33   1HB   LEU   5          1HB       LEU   5   3.025  -3.813  -3.911
   34   2HB   LEU   5          2HB       LEU   5   1.944  -3.496  -2.567
   35    HG   LEU   5           HG       LEU   5   1.926  -1.921  -5.142
   36   1HD1  LEU   5          1HD1      LEU   5   1.307  -4.144  -5.711
   37   2HD1  LEU   5          2HD1      LEU   5  -0.180  -3.203  -5.591
   38   3HD1  LEU   5          3HD1      LEU   5   0.285  -4.292  -4.282
   39   1HD2  LEU   5          1HD2      LEU   5   0.736  -0.517  -3.872
   40   2HD2  LEU   5          2HD2      LEU   5   0.545  -1.699  -2.579
   41   3HD2  LEU   5          3HD2      LEU   5  -0.542  -1.728  -3.966
   42    H    LEU   6           H        LEU   6   3.635  -2.904  -0.471
   43    HA   LEU   6           HA       LEU   6   1.592  -1.502   0.836
   44   1HB   LEU   6          1HB       LEU   6   3.260  -3.500   1.486
   45   2HB   LEU   6          2HB       LEU   6   3.978  -2.215   2.419
   46    HG   LEU   6           HG       LEU   6   2.413  -3.529   3.761
   47   1HD1  LEU   6          1HD1      LEU   6   1.089  -1.700   4.655
   48   2HD1  LEU   6          2HD1      LEU   6   1.389  -0.751   3.198
   49   3HD1  LEU   6          3HD1      LEU   6   2.724  -1.161   4.274
   50   1HD2  LEU   6          1HD2      LEU   6   0.032  -3.521   3.299
   51   2HD2  LEU   6          2HD2      LEU   6   0.917  -4.229   1.948
   52   3HD2  LEU   6          3HD2      LEU   6   0.300  -2.581   1.832
   53    H    GLY   7           H        GLY   7   5.070  -0.804   0.587
   54   1HA   GLY   7          1HA       GLY   7   5.037   1.496   2.239
   55   2HA   GLY   7          2HA       GLY   7   6.254   1.115   1.038
   56    H    GLN   8           H        GLN   8   4.283   0.954  -1.127
   57    HA   GLN   8           HA       GLN   8   4.236   3.768  -1.817
   58   1HB   GLN   8          1HB       GLN   8   4.391   1.491  -3.311
   59   2HB   GLN   8          2HB       GLN   8   2.682   1.869  -3.474
   60   1HG   GLN   8          1HG       GLN   8   4.925   3.779  -4.088
   61   2HG   GLN   8          2HG       GLN   8   4.083   2.794  -5.282
   62   1HE2  GLN   8          1HE2      GLN   8   3.988   5.620  -3.332
   63   2HE2  GLN   8          2HE2      GLN   8   2.480   6.237  -3.913
   64    H    TRP   9           H        TRP   9   1.986   1.240  -0.966
   65    HA   TRP   9           HA       TRP   9  -0.444   2.635  -1.203
   66   1HB   TRP   9          1HB       TRP   9  -0.234   0.188  -1.075
   67   2HB   TRP   9          2HB       TRP   9   0.367   0.319   0.568
   68    HD1  TRP   9           HD1      TRP   9  -2.793   1.716  -1.177
   69    HE1  TRP   9           HE1      TRP   9  -4.818   1.170   0.329
   70    HE3  TRP   9           HE3      TRP   9  -0.353  -0.748   2.539
   71    HZ2  TRP   9           HZ2      TRP   9  -5.284  -0.142   2.803
   72    HZ3  TRP   9           HZ3      TRP   9  -1.639  -1.607   4.449
   73    HH2  TRP   9           HH2      TRP   9  -4.055  -1.297   4.572
   74    H    LEU  10           H        LEU  10   1.822   2.116   1.451
   75    HA   LEU  10           HA       LEU  10   0.311   3.449   3.456
   76   1HB   LEU  10          1HB       LEU  10   2.272   1.795   3.708
   77   2HB   LEU  10          2HB       LEU  10   3.304   3.193   3.478
   78    HG   LEU  10           HG       LEU  10   1.458   3.924   5.474
   79   1HD1  LEU  10          1HD1      LEU  10   0.920   1.557   5.755
   80   2HD1  LEU  10          2HD1      LEU  10   1.770   2.195   7.162
   81   3HD1  LEU  10          3HD1      LEU  10   2.629   1.194   5.992
   82   1HD2  LEU  10          1HD2      LEU  10   3.448   4.013   6.882
   83   2HD2  LEU  10          2HD2      LEU  10   3.777   4.671   5.279
   84   3HD2  LEU  10          3HD2      LEU  10   4.337   3.052   5.700
   85    H    LYS  11           H        LYS  11   2.641   4.533   1.066
   86    HA   LYS  11           HA       LYS  11   3.275   7.045   2.139
   87   1HB   LYS  11          1HB       LYS  11   4.430   5.935   0.214
   88   2HB   LYS  11          2HB       LYS  11   3.046   6.336  -0.791
   89   1HG   LYS  11          1HG       LYS  11   3.835   8.733   0.439
   90   2HG   LYS  11          2HG       LYS  11   5.315   7.938  -0.102
   91   1HD   LYS  11          1HD       LYS  11   4.755   9.086  -2.004
   92   2HD   LYS  11          2HD       LYS  11   3.913   7.566  -2.302
   93   1HE   LYS  11          1HE       LYS  11   2.353   9.528  -0.785
   94   2HE   LYS  11          2HE       LYS  11   2.779  10.051  -2.413
   95   1HZ   LYS  11          1HZ       LYS  11   1.672   8.233  -3.354
   96   2HZ   LYS  11          2HZ       LYS  11   0.625   8.784  -2.147
   97   3HZ   LYS  11          3HZ       LYS  11   1.565   7.403  -1.885
   98    H    ASP  12           H        ASP  12   0.501   5.932   0.292
   99    HA   ASP  12           HA       ASP  12  -0.574   8.636   0.081
  100   1HB   ASP  12          1HB       ASP  12  -0.635   6.754  -1.742
  101   2HB   ASP  12          2HB       ASP  12  -2.030   6.180  -0.838
  102    H    GLY  13           H        GLY  13  -0.362   6.930   2.664
  103   1HA   GLY  13          1HA       GLY  13  -1.625   7.215   4.618
  104   2HA   GLY  13          2HA       GLY  13  -3.012   7.653   3.634
  105    H    GLY  14           H        GLY  14  -1.149   4.763   2.979
  106   1HA   GLY  14          1HA       GLY  14  -1.819   2.578   2.824
  107   2HA   GLY  14          2HA       GLY  14  -2.251   2.826   4.506
  108    HA   PRO  15           HA       PRO  15  -6.232   1.257   3.100
  109   1HB   PRO  15          1HB       PRO  15  -6.853   2.355   5.800
  110   2HB   PRO  15          2HB       PRO  15  -7.319   0.817   5.086
  111   1HG   PRO  15          1HG       PRO  15  -5.361   0.909   6.860
  112   2HG   PRO  15          2HG       PRO  15  -5.192  -0.106   5.414
  113   1HD   PRO  15          1HD       PRO  15  -3.961   2.552   6.013
  114   2HD   PRO  15          2HD       PRO  15  -3.270   1.163   5.159
  115    H    SER  16           H        SER  16  -5.717   4.451   4.556
  116    HA   SER  16           HA       SER  16  -8.235   5.399   3.489
  117   1HB   SER  16          1HB       SER  16  -7.099   6.053   5.764
  118   2HB   SER  16          2HB       SER  16  -6.222   7.215   4.770
  119    HG   SER  16           HG       SER  16  -8.364   7.822   5.770
  120    H    SER  17           H        SER  17  -5.976   4.596   1.669
  121    HA   SER  17           HA       SER  17  -5.177   7.101   0.425
  122   1HB   SER  17          1HB       SER  17  -3.817   5.719  -1.049
  123   2HB   SER  17          2HB       SER  17  -3.559   5.224   0.622
  124    HG   SER  17           HG       SER  17  -4.349   3.732  -1.417
  125    H    GLY  18           H        GLY  18  -7.216   4.296  -0.256
  126   1HA   GLY  18          1HA       GLY  18  -9.307   5.209  -1.527
  127   2HA   GLY  18          2HA       GLY  18  -8.107   5.500  -2.780
  128    H    ARG  19           H        ARG  19  -6.515   3.225  -2.430
  129    HA   ARG  19           HA       ARG  19  -8.309   1.165  -3.491
  130   1HB   ARG  19          1HB       ARG  19  -6.298   0.140  -4.429
  131   2HB   ARG  19          2HB       ARG  19  -6.422   1.824  -4.915
  132   1HG   ARG  19          1HG       ARG  19  -4.714   2.477  -3.399
  133   2HG   ARG  19          2HG       ARG  19  -4.720   0.896  -2.615
  134   1HD   ARG  19          1HD       ARG  19  -2.820   0.963  -4.043
  135   2HD   ARG  19          2HD       ARG  19  -4.011  -0.090  -4.806
  136    HE   ARG  19           HE       ARG  19  -4.124   2.646  -5.697
  137   1HH1  ARG  19          1HH1      ARG  19  -2.625  -0.477  -6.216
  138   2HH1  ARG  19          2HH1      ARG  19  -2.228  -0.147  -7.868
  139   1HH2  ARG  19          1HH2      ARG  19  -3.598   3.073  -7.872
  140   2HH2  ARG  19          2HH2      ARG  19  -2.779   1.868  -8.809
  141    HA   PRO  20           HA       PRO  20  -7.894  -1.449   0.039
  142   1HB   PRO  20          1HB       PRO  20  -7.848  -3.924  -1.095
  143   2HB   PRO  20          2HB       PRO  20  -9.311  -2.940  -0.977
  144   1HG   PRO  20          1HG       PRO  20  -7.464  -3.314  -3.303
  145   2HG   PRO  20          2HG       PRO  20  -9.237  -3.288  -3.275
  146   1HD   PRO  20          1HD       PRO  20  -7.777  -1.152  -4.046
  147   2HD   PRO  20          2HD       PRO  20  -9.328  -0.982  -3.199
  148    HA   PRO  21           HA       PRO  21  -3.671  -2.365   0.946
  149   1HB   PRO  21          1HB       PRO  21  -4.617  -4.901   2.167
  150   2HB   PRO  21          2HB       PRO  21  -3.659  -3.598   2.878
  151   1HG   PRO  21          1HG       PRO  21  -6.240  -3.925   3.499
  152   2HG   PRO  21          2HG       PRO  21  -5.518  -2.313   3.357
  153   1HD   PRO  21          1HD       PRO  21  -7.319  -3.757   1.475
  154   2HD   PRO  21          2HD       PRO  21  -7.217  -2.023   1.836
  155    HA   PRO  22           HA       PRO  22  -2.485  -5.195  -2.294
  156   1HB   PRO  22          1HB       PRO  22   0.192  -5.021  -2.005
  157   2HB   PRO  22          2HB       PRO  22  -0.770  -3.702  -2.679
  158   1HG   PRO  22          1HG       PRO  22   0.321  -4.030   0.085
  159   2HG   PRO  22          2HG       PRO  22   0.271  -2.580  -0.932
  160   1HD   PRO  22          1HD       PRO  22  -1.516  -3.083   1.075
  161   2HD   PRO  22          2HD       PRO  22  -1.895  -2.102  -0.351
  162    H    SER  23           H        SER  23  -3.498  -6.868  -0.773
  163    HA   SER  23           HA       SER  23  -1.500  -8.898  -0.236
  164   1HB   SER  23          1HB       SER  23  -3.255  -7.710   1.902
  165   2HB   SER  23          2HB       SER  23  -2.647  -9.360   2.032
  166    HG   SER  23           HG       SER  23  -0.982  -8.376   2.879
  Start of MODEL   17
    1    H    ALA   1           H        ALA   1   4.974  -5.745  -6.877
    2    HA   ALA   1           HA       ALA   1   5.416  -7.706  -5.619
    3   1HB   ALA   1          1HB       ALA   1   7.391  -5.990  -4.118
    4   2HB   ALA   1          2HB       ALA   1   7.801  -7.296  -5.230
    5   3HB   ALA   1          3HB       ALA   1   6.945  -7.651  -3.729
    6    H    LEU   2           H        LEU   2   4.279  -8.095  -3.657
    7    HA   LEU   2           HA       LEU   2   2.260  -6.216  -3.081
    8   1HB   LEU   2          1HB       LEU   2   3.107  -8.833  -1.947
    9   2HB   LEU   2          2HB       LEU   2   2.044  -7.835  -0.973
   10    HG   LEU   2           HG       LEU   2   0.474  -7.756  -2.952
   11   1HD1  LEU   2          1HD1      LEU   2   2.364  -9.878  -3.950
   12   2HD1  LEU   2          2HD1      LEU   2   1.954  -8.352  -4.732
   13   3HD1  LEU   2          3HD1      LEU   2   0.738  -9.621  -4.583
   14   1HD2  LEU   2          1HD2      LEU   2  -0.258 -10.176  -2.596
   15   2HD2  LEU   2          2HD2      LEU   2  -0.169  -9.138  -1.175
   16   3HD2  LEU   2          3HD2      LEU   2   1.116 -10.303  -1.498
   17    H    GLN   3           H        GLN   3   4.968  -7.338  -1.028
   18    HA   GLN   3           HA       GLN   3   4.552  -5.574   1.095
   19   1HB   GLN   3          1HB       GLN   3   6.268  -7.594   0.686
   20   2HB   GLN   3          2HB       GLN   3   7.361  -6.249   0.393
   21   1HG   GLN   3          1HG       GLN   3   7.537  -6.900   2.683
   22   2HG   GLN   3          2HG       GLN   3   6.748  -5.326   2.605
   23   1HE2  GLN   3          1HE2      GLN   3   6.293  -8.739   3.207
   24   2HE2  GLN   3          2HE2      GLN   3   4.776  -8.590   4.025
   25    H    GLU   4           H        GLU   4   6.368  -5.148  -1.909
   26    HA   GLU   4           HA       GLU   4   7.547  -2.662  -1.278
   27   1HB   GLU   4          1HB       GLU   4   8.347  -4.019  -3.135
   28   2HB   GLU   4          2HB       GLU   4   6.801  -3.858  -3.955
   29   1HG   GLU   4          1HG       GLU   4   8.014  -1.292  -3.312
   30   2HG   GLU   4          2HG       GLU   4   9.022  -2.295  -4.355
   31    H    LEU   5           H        LEU   5   4.480  -3.535  -2.831
   32    HA   LEU   5           HA       LEU   5   3.654  -0.920  -3.489
   33   1HB   LEU   5          1HB       LEU   5   2.693  -3.404  -4.001
   34   2HB   LEU   5          2HB       LEU   5   1.553  -2.871  -2.780
   35    HG   LEU   5           HG       LEU   5   2.133  -1.473  -5.394
   36   1HD1  LEU   5          1HD1      LEU   5  -0.450  -2.730  -4.533
   37   2HD1  LEU   5          2HD1      LEU   5   0.792  -3.644  -5.388
   38   3HD1  LEU   5          3HD1      LEU   5   0.055  -2.233  -6.148
   39   1HD2  LEU   5          1HD2      LEU   5   0.356  -0.748  -3.078
   40   2HD2  LEU   5          2HD2      LEU   5   0.110  -0.110  -4.704
   41   3HD2  LEU   5          3HD2      LEU   5   1.612   0.225  -3.841
   42    H    LEU   6           H        LEU   6   3.409  -2.806  -0.535
   43    HA   LEU   6           HA       LEU   6   1.468  -1.392   0.866
   44   1HB   LEU   6          1HB       LEU   6   3.313  -3.385   1.395
   45   2HB   LEU   6          2HB       LEU   6   3.710  -2.137   2.545
   46    HG   LEU   6           HG       LEU   6   2.140  -3.879   3.404
   47   1HD1  LEU   6          1HD1      LEU   6   0.452  -2.168   4.273
   48   2HD1  LEU   6          2HD1      LEU   6   1.361  -0.985   3.332
   49   3HD1  LEU   6          3HD1      LEU   6   2.159  -1.889   4.618
   50   1HD2  LEU   6          1HD2      LEU   6   0.150  -4.342   2.468
   51   2HD2  LEU   6          2HD2      LEU   6   0.888  -3.671   1.014
   52   3HD2  LEU   6          3HD2      LEU   6  -0.150  -2.662   2.022
   53    H    GLY   7           H        GLY   7   4.973  -0.776   0.671
   54   1HA   GLY   7          1HA       GLY   7   4.990   1.440   2.427
   55   2HA   GLY   7          2HA       GLY   7   6.210   1.078   1.222
   56    H    GLN   8           H        GLN   8   4.425   1.129  -1.029
   57    HA   GLN   8           HA       GLN   8   4.419   3.970  -1.529
   58   1HB   GLN   8          1HB       GLN   8   4.495   1.722  -3.140
   59   2HB   GLN   8          2HB       GLN   8   2.858   2.314  -3.386
   60   1HG   GLN   8          1HG       GLN   8   5.423   3.816  -3.848
   61   2HG   GLN   8          2HG       GLN   8   4.286   3.240  -5.065
   62   1HE2  GLN   8          1HE2      GLN   8   2.073   4.156  -4.939
   63   2HE2  GLN   8          2HE2      GLN   8   1.909   5.815  -4.480
   64    H    TRP   9           H        TRP   9   2.102   1.461  -0.871
   65    HA   TRP   9           HA       TRP   9  -0.307   2.870  -1.135
   66   1HB   TRP   9          1HB       TRP   9  -0.111   0.428  -1.062
   67   2HB   TRP   9          2HB       TRP   9   0.471   0.510   0.590
   68    HD1  TRP   9           HD1      TRP   9  -2.678   1.909  -1.168
   69    HE1  TRP   9           HE1      TRP   9  -4.718   1.306   0.295
   70    HE3  TRP   9           HE3      TRP   9  -0.257  -0.573   2.549
   71    HZ2  TRP   9           HZ2      TRP   9  -5.203  -0.049   2.738
   72    HZ3  TRP   9           HZ3      TRP   9  -1.565  -1.478   4.427
   73    HH2  TRP   9           HH2      TRP   9  -3.988  -1.203   4.512
   74    H    LEU  10           H        LEU  10   1.848   2.258   1.594
   75    HA   LEU  10           HA       LEU  10   0.289   3.548   3.576
   76   1HB   LEU  10          1HB       LEU  10   2.264   1.904   3.834
   77   2HB   LEU  10          2HB       LEU  10   3.281   3.323   3.685
   78    HG   LEU  10           HG       LEU  10   1.170   3.655   5.677
   79   1HD1  LEU  10          1HD1      LEU  10   3.246   1.513   6.121
   80   2HD1  LEU  10          2HD1      LEU  10   1.509   1.255   5.963
   81   3HD1  LEU  10          3HD1      LEU  10   2.145   2.158   7.338
   82   1HD2  LEU  10          1HD2      LEU  10   3.037   4.464   7.011
   83   2HD2  LEU  10          2HD2      LEU  10   3.080   5.168   5.395
   84   3HD2  LEU  10          3HD2      LEU  10   4.178   3.853   5.813
   85    H    LYS  11           H        LYS  11   2.733   4.714   1.324
   86    HA   LYS  11           HA       LYS  11   3.290   7.199   2.480
   87   1HB   LYS  11          1HB       LYS  11   3.395   6.137  -0.319
   88   2HB   LYS  11          2HB       LYS  11   3.651   7.854  -0.039
   89   1HG   LYS  11          1HG       LYS  11   5.634   7.519   1.070
   90   2HG   LYS  11          2HG       LYS  11   5.211   5.875   1.551
   91   1HD   LYS  11          1HD       LYS  11   6.665   5.338  -0.101
   92   2HD   LYS  11          2HD       LYS  11   5.236   5.561  -1.112
   93   1HE   LYS  11          1HE       LYS  11   5.985   7.532  -1.979
   94   2HE   LYS  11          2HE       LYS  11   6.887   7.955  -0.524
   95   1HZ   LYS  11          1HZ       LYS  11   8.343   7.441  -2.396
   96   2HZ   LYS  11          2HZ       LYS  11   7.695   5.882  -2.493
   97   3HZ   LYS  11          3HZ       LYS  11   8.571   6.348  -1.124
   98    H    ASP  12           H        ASP  12   0.559   6.116   0.572
   99    HA   ASP  12           HA       ASP  12  -0.527   8.836   0.463
  100   1HB   ASP  12          1HB       ASP  12  -0.435   7.163  -1.539
  101   2HB   ASP  12          2HB       ASP  12  -1.838   6.429  -0.773
  102    H    GLY  13           H        GLY  13  -0.409   7.699   3.017
  103   1HA   GLY  13          1HA       GLY  13  -1.749   7.532   4.875
  104   2HA   GLY  13          2HA       GLY  13  -3.116   7.950   3.855
  105    H    GLY  14           H        GLY  14  -1.084   5.190   3.144
  106   1HA   GLY  14          1HA       GLY  14  -1.581   2.971   2.939
  107   2HA   GLY  14          2HA       GLY  14  -2.257   3.157   4.549
  108    HA   PRO  15           HA       PRO  15  -5.939   1.494   2.584
  109   1HB   PRO  15          1HB       PRO  15  -7.018   2.457   5.182
  110   2HB   PRO  15          2HB       PRO  15  -7.237   0.905   4.390
  111   1HG   PRO  15          1HG       PRO  15  -5.592   1.145   6.456
  112   2HG   PRO  15          2HG       PRO  15  -5.143   0.137   5.068
  113   1HD   PRO  15          1HD       PRO  15  -4.184   2.868   5.813
  114   2HD   PRO  15          2HD       PRO  15  -3.290   1.523   5.086
  115    H    SER  16           H        SER  16  -5.847   4.634   4.243
  116    HA   SER  16           HA       SER  16  -8.287   5.598   3.307
  117   1HB   SER  16          1HB       SER  16  -7.625   7.719   4.082
  118   2HB   SER  16          2HB       SER  16  -6.729   6.594   5.103
  119    HG   SER  16           HG       SER  16  -5.155   7.890   4.459
  120    H    SER  17           H        SER  17  -5.233   5.287   1.667
  121    HA   SER  17           HA       SER  17  -5.325   7.185  -0.311
  122   1HB   SER  17          1HB       SER  17  -3.938   5.740  -1.643
  123   2HB   SER  17          2HB       SER  17  -3.503   5.489   0.046
  124    HG   SER  17           HG       SER  17  -4.549   3.555   0.032
  125    H    GLY  18           H        GLY  18  -6.908   3.989  -0.381
  126   1HA   GLY  18          1HA       GLY  18  -9.291   4.419  -1.405
  127   2HA   GLY  18          2HA       GLY  18  -8.321   4.739  -2.836
  128    H    ARG  19           H        ARG  19  -6.379   2.817  -2.672
  129    HA   ARG  19           HA       ARG  19  -7.854   0.468  -3.457
  130   1HB   ARG  19          1HB       ARG  19  -5.640  -0.442  -4.055
  131   2HB   ARG  19          2HB       ARG  19  -5.917   1.143  -4.761
  132   1HG   ARG  19          1HG       ARG  19  -4.018   1.853  -3.881
  133   2HG   ARG  19          2HG       ARG  19  -4.660   1.555  -2.265
  134   1HD   ARG  19          1HD       ARG  19  -2.581   0.373  -2.517
  135   2HD   ARG  19          2HD       ARG  19  -3.899  -0.791  -2.438
  136    HE   ARG  19           HE       ARG  19  -2.380  -0.059  -4.847
  137   1HH1  ARG  19          1HH1      ARG  19  -4.607  -2.228  -3.217
  138   2HH1  ARG  19          2HH1      ARG  19  -4.535  -3.424  -4.464
  139   1HH2  ARG  19          1HH2      ARG  19  -2.299  -1.642  -6.477
  140   2HH2  ARG  19          2HH2      ARG  19  -3.227  -3.095  -6.310
  141    HA   PRO  20           HA       PRO  20  -7.543  -1.824   0.304
  142   1HB   PRO  20          1HB       PRO  20  -7.388  -4.367  -0.615
  143   2HB   PRO  20          2HB       PRO  20  -8.871  -3.410  -0.707
  144   1HG   PRO  20          1HG       PRO  20  -6.830  -3.949  -2.830
  145   2HG   PRO  20          2HG       PRO  20  -8.599  -3.958  -2.951
  146   1HD   PRO  20          1HD       PRO  20  -7.077  -1.864  -3.769
  147   2HD   PRO  20          2HD       PRO  20  -8.723  -1.667  -3.133
  148    HA   PRO  21           HA       PRO  21  -3.344  -2.499   1.500
  149   1HB   PRO  21          1HB       PRO  21  -4.260  -5.016   2.788
  150   2HB   PRO  21          2HB       PRO  21  -3.371  -3.652   3.472
  151   1HG   PRO  21          1HG       PRO  21  -5.973  -4.032   3.989
  152   2HG   PRO  21          2HG       PRO  21  -5.282  -2.409   3.825
  153   1HD   PRO  21          1HD       PRO  21  -6.987  -3.941   1.935
  154   2HD   PRO  21          2HD       PRO  21  -6.886  -2.191   2.204
  155    HA   PRO  22           HA       PRO  22  -2.285  -5.502  -1.731
  156   1HB   PRO  22          1HB       PRO  22   0.208  -4.053  -1.995
  157   2HB   PRO  22          2HB       PRO  22  -1.144  -4.132  -3.124
  158   1HG   PRO  22          1HG       PRO  22  -0.442  -1.871  -1.757
  159   2HG   PRO  22          2HG       PRO  22  -2.087  -2.207  -2.325
  160   1HD   PRO  22          1HD       PRO  22  -0.916  -2.562   0.409
  161   2HD   PRO  22          2HD       PRO  22  -2.506  -1.921  -0.055
  162    H    SER  23           H        SER  23  -2.110  -6.888   0.333
  163    HA   SER  23           HA       SER  23   0.494  -8.066   0.379
  164   1HB   SER  23          1HB       SER  23  -0.257  -6.184   2.506
  165   2HB   SER  23          2HB       SER  23   0.272  -7.757   3.102
  166    HG   SER  23           HG       SER  23   1.688  -5.936   1.464
  Start of MODEL   18
    1    H    ALA   1           H        ALA   1   6.545  -5.374  -5.370
    2    HA   ALA   1           HA       ALA   1   6.315  -8.137  -4.377
    3   1HB   ALA   1          1HB       ALA   1   8.591  -7.285  -4.232
    4   2HB   ALA   1          2HB       ALA   1   7.864  -7.406  -2.630
    5   3HB   ALA   1          3HB       ALA   1   8.008  -5.833  -3.416
    6    H    LEU   2           H        LEU   2   5.337  -8.326  -2.310
    7    HA   LEU   2           HA       LEU   2   3.028  -6.756  -1.946
    8   1HB   LEU   2          1HB       LEU   2   3.411  -9.140  -1.183
    9   2HB   LEU   2          2HB       LEU   2   4.332  -8.481   0.155
   10    HG   LEU   2           HG       LEU   2   1.828  -7.144   0.122
   11   1HD1  LEU   2          1HD1      LEU   2   0.261  -8.959   0.348
   12   2HD1  LEU   2          2HD1      LEU   2   1.535 -10.142   0.054
   13   3HD1  LEU   2          3HD1      LEU   2   1.033  -9.047  -1.234
   14   1HD2  LEU   2          1HD2      LEU   2   2.883  -9.286   1.963
   15   2HD2  LEU   2          2HD2      LEU   2   1.612  -8.119   2.330
   16   3HD2  LEU   2          3HD2      LEU   2   3.267  -7.568   2.069
   17    H    GLN   3           H        GLN   3   6.067  -6.865  -0.074
   18    HA   GLN   3           HA       GLN   3   5.375  -4.827   1.748
   19   1HB   GLN   3          1HB       GLN   3   7.326  -6.549   1.813
   20   2HB   GLN   3          2HB       GLN   3   8.211  -5.336   0.899
   21   1HG   GLN   3          1HG       GLN   3   7.777  -3.709   2.704
   22   2HG   GLN   3          2HG       GLN   3   6.990  -4.988   3.628
   23   1HE2  GLN   3          1HE2      GLN   3  10.013  -3.747   2.433
   24   2HE2  GLN   3          2HE2      GLN   3  11.038  -4.746   3.407
   25    H    GLU   4           H        GLU   4   7.057  -4.741  -1.373
   26    HA   GLU   4           HA       GLU   4   7.796  -2.032  -1.343
   27   1HB   GLU   4          1HB       GLU   4   8.732  -3.610  -2.948
   28   2HB   GLU   4          2HB       GLU   4   7.152  -3.837  -3.684
   29   1HG   GLU   4          1HG       GLU   4   8.360  -1.110  -3.579
   30   2HG   GLU   4          2HG       GLU   4   8.903  -2.269  -4.792
   31    H    LEU   5           H        LEU   5   4.929  -3.618  -2.758
   32    HA   LEU   5           HA       LEU   5   3.692  -1.287  -3.712
   33   1HB   LEU   5          1HB       LEU   5   3.152  -3.865  -4.021
   34   2HB   LEU   5          2HB       LEU   5   2.021  -3.547  -2.720
   35    HG   LEU   5           HG       LEU   5   2.065  -1.988  -5.301
   36   1HD1  LEU   5          1HD1      LEU   5  -0.131  -3.386  -5.599
   37   2HD1  LEU   5          2HD1      LEU   5   0.714  -4.538  -4.565
   38   3HD1  LEU   5          3HD1      LEU   5   1.429  -4.040  -6.098
   39   1HD2  LEU   5          1HD2      LEU   5   0.498  -1.882  -2.812
   40   2HD2  LEU   5          2HD2      LEU   5  -0.439  -1.800  -4.304
   41   3HD2  LEU   5          3HD2      LEU   5   0.837  -0.622  -3.999
   42    H    LEU   6           H        LEU   6   3.465  -2.928  -0.576
   43    HA   LEU   6           HA       LEU   6   1.406  -1.357   0.523
   44   1HB   LEU   6          1HB       LEU   6   3.292  -3.322   1.432
   45   2HB   LEU   6          2HB       LEU   6   3.119  -2.053   2.618
   46    HG   LEU   6           HG       LEU   6   0.504  -2.736   1.807
   47   1HD1  LEU   6          1HD1      LEU   6   1.673  -4.829   0.958
   48   2HD1  LEU   6          2HD1      LEU   6   0.320  -5.059   2.065
   49   3HD1  LEU   6          3HD1      LEU   6   1.977  -5.211   2.651
   50   1HD2  LEU   6          1HD2      LEU   6   2.001  -3.473   4.319
   51   2HD2  LEU   6          2HD2      LEU   6   0.250  -3.383   4.127
   52   3HD2  LEU   6          3HD2      LEU   6   1.227  -1.919   4.011
   53    H    GLY   7           H        GLY   7   4.937  -0.949   0.505
   54   1HA   GLY   7          1HA       GLY   7   5.050   1.276   2.235
   55   2HA   GLY   7          2HA       GLY   7   6.235   0.885   1.002
   56    H    GLN   8           H        GLN   8   4.422   0.965  -1.202
   57    HA   GLN   8           HA       GLN   8   4.426   3.802  -1.726
   58   1HB   GLN   8          1HB       GLN   8   4.725   1.762  -3.383
   59   2HB   GLN   8          2HB       GLN   8   2.970   1.831  -3.456
   60   1HG   GLN   8          1HG       GLN   8   3.750   3.098  -5.272
   61   2HG   GLN   8          2HG       GLN   8   3.208   4.264  -4.066
   62   1HE2  GLN   8          1HE2      GLN   8   4.681   5.612  -3.099
   63   2HE2  GLN   8          2HE2      GLN   8   6.329   5.735  -3.612
   64    H    TRP   9           H        TRP   9   2.123   1.292  -0.988
   65    HA   TRP   9           HA       TRP   9  -0.290   2.710  -1.281
   66   1HB   TRP   9          1HB       TRP   9  -0.047   0.244  -1.139
   67   2HB   TRP   9          2HB       TRP   9   0.403   0.407   0.549
   68    HD1  TRP   9           HD1      TRP   9  -2.580   1.894  -1.420
   69    HE1  TRP   9           HE1      TRP   9  -4.732   1.317  -0.119
   70    HE3  TRP   9           HE3      TRP   9  -0.508  -0.805   2.358
   71    HZ2  TRP   9           HZ2      TRP   9  -5.432  -0.100   2.231
   72    HZ3  TRP   9           HZ3      TRP   9  -1.971  -1.731   4.105
   73    HH2  TRP   9           HH2      TRP   9  -4.384  -1.374   4.038
   74    H    LEU  10           H        LEU  10   1.920   2.204   1.409
   75    HA   LEU  10           HA       LEU  10   0.351   3.530   3.379
   76   1HB   LEU  10          1HB       LEU  10   2.396   1.873   3.575
   77   2HB   LEU  10          2HB       LEU  10   3.321   3.362   3.602
   78    HG   LEU  10           HG       LEU  10   1.715   4.064   5.513
   79   1HD1  LEU  10          1HD1      LEU  10   0.109   2.254   5.215
   80   2HD1  LEU  10          2HD1      LEU  10   0.841   2.194   6.819
   81   3HD1  LEU  10          3HD1      LEU  10   1.366   1.069   5.567
   82   1HD2  LEU  10          1HD2      LEU  10   4.085   3.633   5.826
   83   2HD2  LEU  10          2HD2      LEU  10   3.779   1.897   5.895
   84   3HD2  LEU  10          3HD2      LEU  10   3.155   2.954   7.162
   85    H    LYS  11           H        LYS  11   2.825   4.593   1.107
   86    HA   LYS  11           HA       LYS  11   3.457   7.081   2.183
   87   1HB   LYS  11          1HB       LYS  11   4.351   5.793   0.057
   88   2HB   LYS  11          2HB       LYS  11   3.167   6.787  -0.780
   89   1HG   LYS  11          1HG       LYS  11   4.232   8.798  -0.020
   90   2HG   LYS  11          2HG       LYS  11   5.335   7.875   1.002
   91   1HD   LYS  11          1HD       LYS  11   6.762   7.812  -0.704
   92   2HD   LYS  11          2HD       LYS  11   5.607   6.800  -1.571
   93   1HE   LYS  11          1HE       LYS  11   5.284   9.772  -1.582
   94   2HE   LYS  11          2HE       LYS  11   6.475   9.018  -2.641
   95   1HZ   LYS  11          1HZ       LYS  11   4.826   7.869  -3.794
   96   2HZ   LYS  11          2HZ       LYS  11   4.153   9.402  -3.563
   97   3HZ   LYS  11          3HZ       LYS  11   3.661   8.109  -2.590
   98    H    ASP  12           H        ASP  12   0.783   6.144   0.054
   99    HA   ASP  12           HA       ASP  12  -0.284   8.788  -0.180
  100   1HB   ASP  12          1HB       ASP  12  -0.633   6.791  -1.769
  101   2HB   ASP  12          2HB       ASP  12  -1.839   6.239  -0.615
  102    H    GLY  13           H        GLY  13  -0.968   5.972   1.845
  103   1HA   GLY  13          1HA       GLY  13  -1.610   6.908   4.193
  104   2HA   GLY  13          2HA       GLY  13  -3.019   7.477   3.312
  105    H    GLY  14           H        GLY  14  -1.275   4.399   2.984
  106   1HA   GLY  14          1HA       GLY  14  -2.089   2.259   2.875
  107   2HA   GLY  14          2HA       GLY  14  -2.662   2.665   4.483
  108    HA   PRO  15           HA       PRO  15  -6.521   1.188   2.624
  109   1HB   PRO  15          1HB       PRO  15  -7.357   2.106   5.331
  110   2HB   PRO  15          2HB       PRO  15  -7.749   0.613   4.486
  111   1HG   PRO  15          1HG       PRO  15  -5.956   0.618   6.439
  112   2HG   PRO  15          2HG       PRO  15  -5.676  -0.340   4.971
  113   1HD   PRO  15          1HD       PRO  15  -4.463   2.270   5.784
  114   2HD   PRO  15          2HD       PRO  15  -3.729   0.905   4.926
  115    H    SER  16           H        SER  16  -6.204   4.195   4.516
  116    HA   SER  16           HA       SER  16  -8.582   5.344   3.491
  117   1HB   SER  16          1HB       SER  16  -8.022   7.286   4.707
  118   2HB   SER  16          2HB       SER  16  -7.346   5.961   5.652
  119    HG   SER  16           HG       SER  16  -6.073   7.988   4.277
  120    H    SER  17           H        SER  17  -5.420   5.049   2.160
  121    HA   SER  17           HA       SER  17  -5.072   7.303   0.622
  122   1HB   SER  17          1HB       SER  17  -3.636   6.025  -0.768
  123   2HB   SER  17          2HB       SER  17  -3.539   5.269   0.820
  124    HG   SER  17           HG       SER  17  -4.877   3.636   0.100
  125    H    GLY  18           H        GLY  18  -7.092   4.480  -0.099
  126   1HA   GLY  18          1HA       GLY  18  -9.195   5.532  -1.335
  127   2HA   GLY  18          2HA       GLY  18  -7.992   5.663  -2.610
  128    H    ARG  19           H        ARG  19  -6.606   3.224  -1.928
  129    HA   ARG  19           HA       ARG  19  -8.612   1.250  -2.806
  130   1HB   ARG  19          1HB       ARG  19  -6.770   0.100  -3.968
  131   2HB   ARG  19          2HB       ARG  19  -6.980   1.745  -4.551
  132   1HG   ARG  19          1HG       ARG  19  -4.887   2.267  -4.036
  133   2HG   ARG  19          2HG       ARG  19  -5.080   1.673  -2.387
  134   1HD   ARG  19          1HD       ARG  19  -3.324   0.419  -3.399
  135   2HD   ARG  19          2HD       ARG  19  -4.726  -0.640  -3.263
  136    HE   ARG  19           HE       ARG  19  -4.884  -0.704  -5.558
  137   1HH1  ARG  19          1HH1      ARG  19  -2.549   1.738  -4.632
  138   2HH1  ARG  19          2HH1      ARG  19  -1.950   1.948  -6.242
  139   1HH2  ARG  19          1HH2      ARG  19  -4.088  -0.421  -7.675
  140   2HH2  ARG  19          2HH2      ARG  19  -2.823   0.723  -7.969
  141    HA   PRO  20           HA       PRO  20  -7.578  -1.290   0.668
  142   1HB   PRO  20          1HB       PRO  20  -7.803  -3.792  -0.321
  143   2HB   PRO  20          2HB       PRO  20  -9.205  -2.738  -0.104
  144   1HG   PRO  20          1HG       PRO  20  -7.656  -3.339  -2.594
  145   2HG   PRO  20          2HG       PRO  20  -9.411  -3.232  -2.367
  146   1HD   PRO  20          1HD       PRO  20  -7.917  -1.213  -3.419
  147   2HD   PRO  20          2HD       PRO  20  -9.413  -0.939  -2.505
  148    HA   PRO  21           HA       PRO  21  -3.352  -2.574   0.835
  149   1HB   PRO  21          1HB       PRO  21  -3.446  -5.076   1.982
  150   2HB   PRO  21          2HB       PRO  21  -3.576  -3.560   2.878
  151   1HG   PRO  21          1HG       PRO  21  -5.738  -5.404   1.947
  152   2HG   PRO  21          2HG       PRO  21  -5.590  -4.536   3.486
  153   1HD   PRO  21          1HD       PRO  21  -7.221  -3.677   1.535
  154   2HD   PRO  21          2HD       PRO  21  -6.342  -2.542   2.580
  155    HA   PRO  22           HA       PRO  22  -2.585  -5.078  -2.748
  156   1HB   PRO  22          1HB       PRO  22   0.101  -5.253  -2.613
  157   2HB   PRO  22          2HB       PRO  22  -0.723  -3.742  -3.009
  158   1HG   PRO  22          1HG       PRO  22   0.471  -4.627  -0.420
  159   2HG   PRO  22          2HG       PRO  22   0.516  -3.030  -1.185
  160   1HD   PRO  22          1HD       PRO  22  -1.198  -3.718   0.848
  161   2HD   PRO  22          2HD       PRO  22  -1.523  -2.437  -0.334
  162    H    SER  23           H        SER  23  -3.727  -6.829  -1.373
  163    HA   SER  23           HA       SER  23  -2.043  -9.170  -1.409
  164   1HB   SER  23          1HB       SER  23  -1.764  -8.182   0.907
  165   2HB   SER  23          2HB       SER  23  -3.478  -8.510   1.169
  166    HG   SER  23           HG       SER  23  -1.331 -10.282   0.945
  Start of MODEL   19
    1    H    ALA   1           H        ALA   1   4.817  -6.517  -5.716
    2    HA   ALA   1           HA       ALA   1   5.630  -8.268  -4.342
    3   1HB   ALA   1          1HB       ALA   1   7.396  -8.012  -2.821
    4   2HB   ALA   1          2HB       ALA   1   7.412  -6.257  -3.000
    5   3HB   ALA   1          3HB       ALA   1   7.985  -7.284  -4.315
    6    H    LEU   2           H        LEU   2   5.062  -8.442  -1.997
    7    HA   LEU   2           HA       LEU   2   2.707  -6.994  -1.443
    8   1HB   LEU   2          1HB       LEU   2   3.075  -9.252  -0.598
    9   2HB   LEU   2          2HB       LEU   2   4.416  -8.693   0.381
   10    HG   LEU   2           HG       LEU   2   2.090  -9.132   1.474
   11   1HD1  LEU   2          1HD1      LEU   2   3.250  -6.494   2.233
   12   2HD1  LEU   2          2HD1      LEU   2   4.242  -7.946   2.368
   13   3HD1  LEU   2          3HD1      LEU   2   2.722  -7.832   3.253
   14   1HD2  LEU   2          1HD2      LEU   2   1.582  -6.259   0.904
   15   2HD2  LEU   2          2HD2      LEU   2   0.453  -7.549   1.317
   16   3HD2  LEU   2          3HD2      LEU   2   1.117  -7.448  -0.314
   17    H    GLN   3           H        GLN   3   5.843  -6.940   0.279
   18    HA   GLN   3           HA       GLN   3   5.183  -4.694   1.873
   19   1HB   GLN   3          1HB       GLN   3   7.256  -6.547   1.795
   20   2HB   GLN   3          2HB       GLN   3   8.040  -5.021   1.416
   21   1HG   GLN   3          1HG       GLN   3   8.142  -5.392   3.778
   22   2HG   GLN   3          2HG       GLN   3   7.053  -4.044   3.456
   23   1HE2  GLN   3          1HE2      GLN   3   7.254  -7.409   4.401
   24   2HE2  GLN   3          2HE2      GLN   3   5.675  -7.506   5.101
   25    H    GLU   4           H        GLU   4   6.865  -5.037  -1.222
   26    HA   GLU   4           HA       GLU   4   7.871  -2.449  -1.484
   27   1HB   GLU   4          1HB       GLU   4   8.544  -4.159  -3.032
   28   2HB   GLU   4          2HB       GLU   4   6.891  -4.396  -3.575
   29   1HG   GLU   4          1HG       GLU   4   8.116  -1.708  -3.906
   30   2HG   GLU   4          2HG       GLU   4   8.624  -3.006  -4.984
   31    H    LEU   5           H        LEU   5   4.765  -3.747  -2.678
   32    HA   LEU   5           HA       LEU   5   3.793  -1.243  -3.586
   33   1HB   LEU   5          1HB       LEU   5   3.026  -3.634  -4.201
   34   2HB   LEU   5          2HB       LEU   5   2.022  -3.525  -2.769
   35    HG   LEU   5           HG       LEU   5   1.869  -1.412  -4.894
   36   1HD1  LEU   5          1HD1      LEU   5   1.566  -3.883  -5.720
   37   2HD1  LEU   5          2HD1      LEU   5   0.450  -2.615  -6.229
   38   3HD1  LEU   5          3HD1      LEU   5  -0.006  -3.725  -4.936
   39   1HD2  LEU   5          1HD2      LEU   5   0.289  -0.605  -3.562
   40   2HD2  LEU   5          2HD2      LEU   5   0.586  -1.910  -2.415
   41   3HD2  LEU   5          3HD2      LEU   5  -0.612  -2.116  -3.693
   42    H    LEU   6           H        LEU   6   3.616  -2.920  -0.499
   43    HA   LEU   6           HA       LEU   6   1.558  -1.461   0.719
   44   1HB   LEU   6          1HB       LEU   6   3.169  -3.483   1.460
   45   2HB   LEU   6          2HB       LEU   6   3.851  -2.197   2.418
   46    HG   LEU   6           HG       LEU   6   2.212  -3.467   3.699
   47   1HD1  LEU   6          1HD1      LEU   6   2.489  -1.077   4.158
   48   2HD1  LEU   6          2HD1      LEU   6   0.845  -1.626   4.483
   49   3HD1  LEU   6          3HD1      LEU   6   1.197  -0.713   3.015
   50   1HD2  LEU   6          1HD2      LEU   6  -0.131  -3.503   3.106
   51   2HD2  LEU   6          2HD2      LEU   6   0.826  -4.202   1.800
   52   3HD2  LEU   6          3HD2      LEU   6   0.194  -2.562   1.650
   53    H    GLY   7           H        GLY   7   5.060  -0.838   0.577
   54   1HA   GLY   7          1HA       GLY   7   5.034   1.479   2.200
   55   2HA   GLY   7          2HA       GLY   7   6.264   1.070   1.019
   56    H    GLN   8           H        GLN   8   4.313   0.918  -1.169
   57    HA   GLN   8           HA       GLN   8   4.321   3.718  -1.903
   58   1HB   GLN   8          1HB       GLN   8   3.284   1.225  -3.266
   59   2HB   GLN   8          2HB       GLN   8   3.089   2.830  -3.957
   60   1HG   GLN   8          1HG       GLN   8   5.810   1.913  -3.168
   61   2HG   GLN   8          2HG       GLN   8   5.087   1.297  -4.652
   62   1HE2  GLN   8          1HE2      GLN   8   6.145   4.188  -2.966
   63   2HE2  GLN   8          2HE2      GLN   8   6.314   5.175  -4.376
   64    H    TRP   9           H        TRP   9   2.008   1.254  -1.017
   65    HA   TRP   9           HA       TRP   9  -0.382   2.729  -1.262
   66   1HB   TRP   9          1HB       TRP   9  -0.220   0.263  -1.136
   67   2HB   TRP   9          2HB       TRP   9   0.317   0.394   0.529
   68    HD1  TRP   9           HD1      TRP   9  -2.714   1.986  -1.284
   69    HE1  TRP   9           HE1      TRP   9  -4.816   1.467   0.121
   70    HE3  TRP   9           HE3      TRP   9  -0.539  -0.795   2.374
   71    HZ2  TRP   9           HZ2      TRP   9  -5.439   0.058   2.501
   72    HZ3  TRP   9           HZ3      TRP   9  -1.939  -1.688   4.190
   73    HH2  TRP   9           HH2      TRP   9  -4.338  -1.258   4.246
   74    H    LEU  10           H        LEU  10   1.873   2.145   1.384
   75    HA   LEU  10           HA       LEU  10   0.411   3.484   3.410
   76   1HB   LEU  10          1HB       LEU  10   2.304   1.837   3.722
   77   2HB   LEU  10          2HB       LEU  10   3.403   3.137   3.301
   78    HG   LEU  10           HG       LEU  10   2.430   4.438   5.246
   79   1HD1  LEU  10          1HD1      LEU  10   1.248   1.736   5.869
   80   2HD1  LEU  10          2HD1      LEU  10   0.367   3.231   5.553
   81   3HD1  LEU  10          3HD1      LEU  10   1.353   3.078   7.008
   82   1HD2  LEU  10          1HD2      LEU  10   3.811   3.306   6.879
   83   2HD2  LEU  10          2HD2      LEU  10   4.613   3.295   5.309
   84   3HD2  LEU  10          3HD2      LEU  10   3.813   1.839   5.900
   85    H    LYS  11           H        LYS  11   2.666   4.582   0.963
   86    HA   LYS  11           HA       LYS  11   3.335   7.091   2.014
   87   1HB   LYS  11          1HB       LYS  11   4.363   5.956   0.006
   88   2HB   LYS  11          2HB       LYS  11   2.946   6.443  -0.913
   89   1HG   LYS  11          1HG       LYS  11   3.483   8.728  -0.730
   90   2HG   LYS  11          2HG       LYS  11   4.672   8.425   0.538
   91   1HD   LYS  11          1HD       LYS  11   5.794   8.876  -1.566
   92   2HD   LYS  11          2HD       LYS  11   6.063   7.202  -1.082
   93   1HE   LYS  11          1HE       LYS  11   5.594   7.246  -3.432
   94   2HE   LYS  11          2HE       LYS  11   4.217   6.524  -2.601
   95   1HZ   LYS  11          1HZ       LYS  11   2.964   8.487  -2.871
   96   2HZ   LYS  11          2HZ       LYS  11   3.676   8.193  -4.375
   97   3HZ   LYS  11          3HZ       LYS  11   4.309   9.389  -3.362
   98    H    ASP  12           H        ASP  12   0.460   5.936   0.392
   99    HA   ASP  12           HA       ASP  12  -0.672   8.637   0.305
  100   1HB   ASP  12          1HB       ASP  12  -0.726   6.847  -1.631
  101   2HB   ASP  12          2HB       ASP  12  -2.103   6.217  -0.736
  102    H    GLY  13           H        GLY  13  -0.275   7.297   2.848
  103   1HA   GLY  13          1HA       GLY  13  -1.427   7.131   4.831
  104   2HA   GLY  13          2HA       GLY  13  -2.858   7.694   3.984
  105    H    GLY  14           H        GLY  14  -1.126   4.856   2.899
  106   1HA   GLY  14          1HA       GLY  14  -1.807   2.693   2.633
  107   2HA   GLY  14          2HA       GLY  14  -2.272   2.818   4.321
  108    HA   PRO  15           HA       PRO  15  -6.286   1.554   2.751
  109   1HB   PRO  15          1HB       PRO  15  -6.969   2.495   5.492
  110   2HB   PRO  15          2HB       PRO  15  -7.422   1.004   4.676
  111   1HG   PRO  15          1HG       PRO  15  -5.530   0.997   6.536
  112   2HG   PRO  15          2HG       PRO  15  -5.341   0.025   5.064
  113   1HD   PRO  15          1HD       PRO  15  -4.058   2.622   5.795
  114   2HD   PRO  15          2HD       PRO  15  -3.379   1.244   4.912
  115    H    SER  16           H        SER  16  -5.785   4.574   4.567
  116    HA   SER  16           HA       SER  16  -8.188   5.805   3.922
  117   1HB   SER  16          1HB       SER  16  -7.255   7.811   4.718
  118   2HB   SER  16          2HB       SER  16  -6.358   6.560   5.577
  119    HG   SER  16           HG       SER  16  -5.491   8.395   3.729
  120    H    SER  17           H        SER  17  -5.325   5.365   1.973
  121    HA   SER  17           HA       SER  17  -5.459   7.337   0.084
  122   1HB   SER  17          1HB       SER  17  -4.328   5.861  -1.422
  123   2HB   SER  17          2HB       SER  17  -3.794   5.430   0.201
  124    HG   SER  17           HG       SER  17  -4.421   3.649  -1.242
  125    H    GLY  18           H        GLY  18  -7.360   4.332   0.132
  126   1HA   GLY  18          1HA       GLY  18  -9.774   4.852  -0.581
  127   2HA   GLY  18          2HA       GLY  18  -9.009   5.376  -2.075
  128    H    ARG  19           H        ARG  19  -7.003   3.359  -2.172
  129    HA   ARG  19           HA       ARG  19  -8.641   1.114  -3.075
  130   1HB   ARG  19          1HB       ARG  19  -6.601   0.392  -4.258
  131   2HB   ARG  19          2HB       ARG  19  -7.057   2.037  -4.680
  132   1HG   ARG  19          1HG       ARG  19  -5.069   2.793  -4.066
  133   2HG   ARG  19          2HG       ARG  19  -5.256   2.095  -2.457
  134   1HD   ARG  19          1HD       ARG  19  -3.285   1.163  -3.413
  135   2HD   ARG  19          2HD       ARG  19  -4.519  -0.096  -3.414
  136    HE   ARG  19           HE       ARG  19  -4.466   1.334  -5.879
  137   1HH1  ARG  19          1HH1      ARG  19  -2.830  -1.187  -4.081
  138   2HH1  ARG  19          2HH1      ARG  19  -2.227  -1.976  -5.498
  139   1HH2  ARG  19          1HH2      ARG  19  -3.669   0.288  -7.744
  140   2HH2  ARG  19          2HH2      ARG  19  -2.702  -1.139  -7.578
  141    HA   PRO  20           HA       PRO  20  -7.379  -1.549   0.221
  142   1HB   PRO  20          1HB       PRO  20  -7.410  -3.972  -0.977
  143   2HB   PRO  20          2HB       PRO  20  -8.887  -3.070  -0.621
  144   1HG   PRO  20          1HG       PRO  20  -7.401  -3.330  -3.204
  145   2HG   PRO  20          2HG       PRO  20  -9.149  -3.369  -2.909
  146   1HD   PRO  20          1HD       PRO  20  -7.836  -1.166  -3.833
  147   2HD   PRO  20          2HD       PRO  20  -9.317  -1.081  -2.861
  148    HA   PRO  21           HA       PRO  21  -3.044  -2.382   0.153
  149   1HB   PRO  21          1HB       PRO  21  -2.858  -4.745   1.521
  150   2HB   PRO  21          2HB       PRO  21  -3.128  -3.181   2.292
  151   1HG   PRO  21          1HG       PRO  21  -5.099  -5.319   1.596
  152   2HG   PRO  21          2HG       PRO  21  -5.002  -4.317   3.056
  153   1HD   PRO  21          1HD       PRO  21  -6.765  -3.810   1.077
  154   2HD   PRO  21          2HD       PRO  21  -6.026  -2.514   2.038
  155    HA   PRO  22           HA       PRO  22  -1.927  -5.028  -3.191
  156   1HB   PRO  22          1HB       PRO  22   0.540  -5.925  -2.383
  157   2HB   PRO  22          2HB       PRO  22   0.239  -4.334  -3.085
  158   1HG   PRO  22          1HG       PRO  22   0.544  -5.113  -0.219
  159   2HG   PRO  22          2HG       PRO  22   1.156  -3.680  -1.062
  160   1HD   PRO  22          1HD       PRO  22  -1.023  -3.594   0.521
  161   2HD   PRO  22          2HD       PRO  22  -0.872  -2.582  -0.929
  162    H    SER  23           H        SER  23  -1.458  -6.390   0.030
  163    HA   SER  23           HA       SER  23  -2.040  -8.409   0.914
  164   1HB   SER  23          1HB       SER  23  -3.917  -8.231  -0.913
  165   2HB   SER  23          2HB       SER  23  -2.968  -9.473  -1.730
  166    HG   SER  23           HG       SER  23  -4.423  -9.608   0.641
  Start of MODEL   20
    1    H    ALA   1           H        ALA   1   4.657  -7.954  -6.538
    2    HA   ALA   1           HA       ALA   1   5.447  -7.596  -4.348
    3   1HB   ALA   1          1HB       ALA   1   5.773  -5.901  -6.178
    4   2HB   ALA   1          2HB       ALA   1   5.915  -5.277  -4.536
    5   3HB   ALA   1          3HB       ALA   1   4.446  -4.985  -5.465
    6    H    LEU   2           H        LEU   2   4.752  -7.835  -2.333
    7    HA   LEU   2           HA       LEU   2   2.168  -6.688  -1.554
    8   1HB   LEU   2          1HB       LEU   2   3.826  -8.595   0.079
    9   2HB   LEU   2          2HB       LEU   2   2.118  -8.238   0.239
   10    HG   LEU   2           HG       LEU   2   3.310  -9.654  -2.144
   11   1HD1  LEU   2          1HD1      LEU   2   1.942 -10.824   0.274
   12   2HD1  LEU   2          2HD1      LEU   2   3.653 -10.982  -0.128
   13   3HD1  LEU   2          3HD1      LEU   2   2.431 -11.711  -1.170
   14   1HD2  LEU   2          1HD2      LEU   2   0.449  -9.642  -1.235
   15   2HD2  LEU   2          2HD2      LEU   2   1.107 -10.109  -2.802
   16   3HD2  LEU   2          3HD2      LEU   2   1.086  -8.411  -2.325
   17    H    GLN   3           H        GLN   3   5.437  -7.090  -0.164
   18    HA   GLN   3           HA       GLN   3   5.017  -5.043   1.794
   19   1HB   GLN   3          1HB       GLN   3   7.374  -6.694   0.942
   20   2HB   GLN   3          2HB       GLN   3   7.599  -5.325   2.021
   21   1HG   GLN   3          1HG       GLN   3   7.280  -6.865   3.615
   22   2HG   GLN   3          2HG       GLN   3   5.575  -6.574   3.273
   23   1HE2  GLN   3          1HE2      GLN   3   8.178  -8.810   3.118
   24   2HE2  GLN   3          2HE2      GLN   3   7.281 -10.148   2.486
   25    H    GLU   4           H        GLU   4   6.749  -5.242  -1.297
   26    HA   GLU   4           HA       GLU   4   7.954  -2.702  -1.214
   27   1HB   GLU   4          1HB       GLU   4   7.264  -4.631  -3.391
   28   2HB   GLU   4          2HB       GLU   4   7.755  -3.002  -3.832
   29   1HG   GLU   4          1HG       GLU   4   9.818  -3.345  -2.462
   30   2HG   GLU   4          2HG       GLU   4   9.337  -5.031  -2.276
   31    H    LEU   5           H        LEU   5   4.816  -3.764  -2.501
   32    HA   LEU   5           HA       LEU   5   4.069  -1.202  -3.496
   33   1HB   LEU   5          1HB       LEU   5   3.129  -3.626  -3.983
   34   2HB   LEU   5          2HB       LEU   5   2.017  -3.214  -2.692
   35    HG   LEU   5           HG       LEU   5   2.396  -1.462  -5.113
   36   1HD1  LEU   5          1HD1      LEU   5   0.371  -2.491  -6.026
   37   2HD1  LEU   5          2HD1      LEU   5   0.376  -3.664  -4.709
   38   3HD1  LEU   5          3HD1      LEU   5   1.689  -3.653  -5.888
   39   1HD2  LEU   5          1HD2      LEU   5   1.172  -0.103  -3.829
   40   2HD2  LEU   5          2HD2      LEU   5   0.767  -1.389  -2.694
   41   3HD2  LEU   5          3HD2      LEU   5  -0.170  -1.193  -4.175
   42    H    LEU   6           H        LEU   6   3.762  -2.802  -0.396
   43    HA   LEU   6           HA       LEU   6   1.762  -1.303   0.820
   44   1HB   LEU   6          1HB       LEU   6   3.619  -3.203   1.586
   45   2HB   LEU   6          2HB       LEU   6   3.984  -1.836   2.606
   46    HG   LEU   6           HG       LEU   6   2.432  -3.449   3.661
   47   1HD1  LEU   6          1HD1      LEU   6   2.350  -1.240   4.495
   48   2HD1  LEU   6          2HD1      LEU   6   0.676  -1.748   4.272
   49   3HD1  LEU   6          3HD1      LEU   6   1.434  -0.669   3.102
   50   1HD2  LEU   6          1HD2      LEU   6   0.452  -2.561   1.570
   51   2HD2  LEU   6          2HD2      LEU   6   0.186  -3.717   2.875
   52   3HD2  LEU   6          3HD2      LEU   6   1.286  -4.115   1.555
   53    H    GLY   7           H        GLY   7   5.253  -0.620   0.601
   54   1HA   GLY   7          1HA       GLY   7   5.231   1.728   2.162
   55   2HA   GLY   7          2HA       GLY   7   6.427   1.324   0.946
   56    H    GLN   8           H        GLN   8   4.513   1.133  -1.217
   57    HA   GLN   8           HA       GLN   8   4.395   3.937  -1.929
   58   1HB   GLN   8          1HB       GLN   8   4.007   1.356  -3.293
   59   2HB   GLN   8          2HB       GLN   8   2.930   2.626  -3.854
   60   1HG   GLN   8          1HG       GLN   8   4.955   2.505  -5.197
   61   2HG   GLN   8          2HG       GLN   8   4.827   4.049  -4.355
   62   1HE2  GLN   8          1HE2      GLN   8   6.389   4.637  -2.932
   63   2HE2  GLN   8          2HE2      GLN   8   7.791   3.684  -2.585
   64    H    TRP   9           H        TRP   9   2.206   1.377  -1.036
   65    HA   TRP   9           HA       TRP   9  -0.261   2.699  -1.347
   66   1HB   TRP   9          1HB       TRP   9   0.063   0.252  -1.140
   67   2HB   TRP   9          2HB       TRP   9   0.546   0.473   0.531
   68    HD1  TRP   9           HD1      TRP   9  -2.533   1.849  -1.371
   69    HE1  TRP   9           HE1      TRP   9  -4.632   1.214  -0.008
   70    HE3  TRP   9           HE3      TRP   9  -0.276  -0.774   2.345
   71    HZ2  TRP   9           HZ2      TRP   9  -5.220  -0.222   2.369
   72    HZ3  TRP   9           HZ3      TRP   9  -1.653  -1.741   4.138
   73    HH2  TRP   9           HH2      TRP   9  -4.075  -1.459   4.144
   74    H    LEU  10           H        LEU  10   2.029   2.376   1.300
   75    HA   LEU  10           HA       LEU  10   0.458   3.647   3.294
   76   1HB   LEU  10          1HB       LEU  10   2.472   2.131   3.623
   77   2HB   LEU  10          2HB       LEU  10   3.466   3.521   3.230
   78    HG   LEU  10           HG       LEU  10   2.246   4.708   5.159
   79   1HD1  LEU  10          1HD1      LEU  10   1.593   1.840   5.821
   80   2HD1  LEU  10          2HD1      LEU  10   0.435   3.113   5.434
   81   3HD1  LEU  10          3HD1      LEU  10   1.399   3.214   6.908
   82   1HD2  LEU  10          1HD2      LEU  10   4.088   2.397   5.761
   83   2HD2  LEU  10          2HD2      LEU  10   3.801   3.798   6.794
   84   3HD2  LEU  10          3HD2      LEU  10   4.590   4.002   5.229
   85    H    LYS  11           H        LYS  11   2.755   4.841   0.902
   86    HA   LYS  11           HA       LYS  11   3.248   7.391   1.889
   87   1HB   LYS  11          1HB       LYS  11   4.284   6.264  -0.144
   88   2HB   LYS  11          2HB       LYS  11   2.855   6.764  -1.037
   89   1HG   LYS  11          1HG       LYS  11   3.375   9.040  -0.814
   90   2HG   LYS  11          2HG       LYS  11   4.561   8.729   0.456
   91   1HD   LYS  11          1HD       LYS  11   5.072   7.381  -2.113
   92   2HD   LYS  11          2HD       LYS  11   5.185   9.142  -2.147
   93   1HE   LYS  11          1HE       LYS  11   6.557   7.552  -0.008
   94   2HE   LYS  11          2HE       LYS  11   7.299   7.760  -1.594
   95   1HZ   LYS  11          1HZ       LYS  11   8.080   9.449  -0.092
   96   2HZ   LYS  11          2HZ       LYS  11   6.501   9.931   0.269
   97   3HZ   LYS  11          3HZ       LYS  11   7.123  10.174  -1.284
   98    H    ASP  12           H        ASP  12   0.567   6.252  -0.145
   99    HA   ASP  12           HA       ASP  12  -0.689   8.812  -0.322
  100   1HB   ASP  12          1HB       ASP  12  -0.945   6.871  -1.950
  101   2HB   ASP  12          2HB       ASP  12  -2.013   6.133  -0.769
  102    H    GLY  13           H        GLY  13  -0.893   6.093   1.881
  103   1HA   GLY  13          1HA       GLY  13  -1.610   6.943   4.174
  104   2HA   GLY  13          2HA       GLY  13  -3.076   7.436   3.343
  105    H    GLY  14           H        GLY  14  -1.223   4.435   2.925
  106   1HA   GLY  14          1HA       GLY  14  -1.948   2.263   2.867
  107   2HA   GLY  14          2HA       GLY  14  -2.444   2.648   4.506
  108    HA   PRO  15           HA       PRO  15  -6.344   0.999   2.879
  109   1HB   PRO  15          1HB       PRO  15  -7.046   1.921   5.626
  110   2HB   PRO  15          2HB       PRO  15  -7.447   0.409   4.819
  111   1HG   PRO  15          1HG       PRO  15  -5.535   0.479   6.654
  112   2HG   PRO  15          2HG       PRO  15  -5.318  -0.480   5.177
  113   1HD   PRO  15          1HD       PRO  15  -4.133   2.166   5.902
  114   2HD   PRO  15          2HD       PRO  15  -3.416   0.824   4.998
  115    H    SER  16           H        SER  16  -6.018   4.015   4.741
  116    HA   SER  16           HA       SER  16  -8.477   5.112   3.878
  117   1HB   SER  16          1HB       SER  16  -6.025   6.427   5.063
  118   2HB   SER  16          2HB       SER  16  -7.551   7.263   4.779
  119    HG   SER  16           HG       SER  16  -6.901   5.321   6.672
  120    H    SER  17           H        SER  17  -5.337   4.978   2.407
  121    HA   SER  17           HA       SER  17  -5.190   7.192   0.804
  122   1HB   SER  17          1HB       SER  17  -3.748   5.973  -0.612
  123   2HB   SER  17          2HB       SER  17  -3.560   5.224   0.968
  124    HG   SER  17           HG       SER  17  -3.883   3.808  -0.952
  125    H    GLY  18           H        GLY  18  -7.191   4.323   0.292
  126   1HA   GLY  18          1HA       GLY  18  -9.379   5.042  -0.838
  127   2HA   GLY  18          2HA       GLY  18  -8.313   5.557  -2.139
  128    H    ARG  19           H        ARG  19  -6.482   3.490  -2.181
  129    HA   ARG  19           HA       ARG  19  -8.075   1.391  -3.403
  130   1HB   ARG  19          1HB       ARG  19  -5.959   0.564  -4.287
  131   2HB   ARG  19          2HB       ARG  19  -6.107   2.290  -4.588
  132   1HG   ARG  19          1HG       ARG  19  -4.564   2.803  -2.844
  133   2HG   ARG  19          2HG       ARG  19  -4.556   1.130  -2.284
  134   1HD   ARG  19          1HD       ARG  19  -2.759   0.847  -3.566
  135   2HD   ARG  19          2HD       ARG  19  -3.854   0.920  -4.944
  136    HE   ARG  19           HE       ARG  19  -3.360   3.477  -4.680
  137   1HH1  ARG  19          1HH1      ARG  19  -1.082   0.831  -4.370
  138   2HH1  ARG  19          2HH1      ARG  19   0.272   1.779  -4.881
  139   1HH2  ARG  19          1HH2      ARG  19  -1.572   4.714  -5.356
  140   2HH2  ARG  19          2HH2      ARG  19  -0.006   3.982  -5.442
  141    HA   PRO  20           HA       PRO  20  -7.738  -1.498  -0.076
  142   1HB   PRO  20          1HB       PRO  20  -7.681  -3.860  -1.405
  143   2HB   PRO  20          2HB       PRO  20  -9.140  -2.868  -1.283
  144   1HG   PRO  20          1HG       PRO  20  -7.184  -3.095  -3.539
  145   2HG   PRO  20          2HG       PRO  20  -8.957  -3.043  -3.595
  146   1HD   PRO  20          1HD       PRO  20  -7.408  -0.878  -4.116
  147   2HD   PRO  20          2HD       PRO  20  -9.021  -0.751  -3.387
  148    HA   PRO  21           HA       PRO  21  -3.524  -2.477   0.823
  149   1HB   PRO  21          1HB       PRO  21  -4.486  -5.125   1.774
  150   2HB   PRO  21          2HB       PRO  21  -3.530  -3.903   2.618
  151   1HG   PRO  21          1HG       PRO  21  -6.116  -4.272   3.181
  152   2HG   PRO  21          2HG       PRO  21  -5.388  -2.656   3.197
  153   1HD   PRO  21          1HD       PRO  21  -7.177  -3.910   1.173
  154   2HD   PRO  21          2HD       PRO  21  -7.071  -2.218   1.693
  155    HA   PRO  22           HA       PRO  22  -2.325  -4.993  -2.664
  156   1HB   PRO  22          1HB       PRO  22   0.341  -4.705  -2.453
  157   2HB   PRO  22          2HB       PRO  22  -0.703  -3.372  -2.964
  158   1HG   PRO  22          1HG       PRO  22   0.510  -3.909  -0.283
  159   2HG   PRO  22          2HG       PRO  22   0.359  -2.373  -1.155
  160   1HD   PRO  22          1HD       PRO  22  -1.331  -3.166   0.855
  161   2HD   PRO  22          2HD       PRO  22  -1.789  -2.041  -0.435
  162    H    SER  23           H        SER  23  -3.226  -6.795  -1.192
  163    HA   SER  23           HA       SER  23  -1.089  -8.729  -0.769
  164   1HB   SER  23          1HB       SER  23  -2.283  -9.462   1.379
  165   2HB   SER  23          2HB       SER  23  -1.335  -7.978   1.461
  166    HG   SER  23           HG       SER  23  -4.109  -8.332   1.514
  Start of MODEL   21
    1    H    ALA   1           H        ALA   1   2.842  -8.372  -5.506
    2    HA   ALA   1           HA       ALA   1   4.931  -7.621  -4.643
    3   1HB   ALA   1          1HB       ALA   1   4.065  -4.796  -5.106
    4   2HB   ALA   1          2HB       ALA   1   4.954  -5.671  -6.354
    5   3HB   ALA   1          3HB       ALA   1   5.672  -5.434  -4.762
    6    H    LEU   2           H        LEU   2   4.774  -7.698  -2.494
    7    HA   LEU   2           HA       LEU   2   2.261  -6.837  -1.255
    8   1HB   LEU   2          1HB       LEU   2   3.865  -9.128  -0.961
    9   2HB   LEU   2          2HB       LEU   2   4.043  -8.228   0.533
   10    HG   LEU   2           HG       LEU   2   1.334  -8.860  -0.609
   11   1HD1  LEU   2          1HD1      LEU   2   2.593 -10.960  -0.329
   12   2HD1  LEU   2          2HD1      LEU   2   1.239 -10.820   0.794
   13   3HD1  LEU   2          3HD1      LEU   2   2.887 -10.535   1.358
   14   1HD2  LEU   2          1HD2      LEU   2   1.488  -7.115   1.114
   15   2HD2  LEU   2          2HD2      LEU   2   2.276  -8.265   2.194
   16   3HD2  LEU   2          3HD2      LEU   2   0.610  -8.534   1.685
   17    H    GLN   3           H        GLN   3   5.735  -6.853  -0.394
   18    HA   GLN   3           HA       GLN   3   5.410  -4.767   1.539
   19   1HB   GLN   3          1HB       GLN   3   7.215  -6.669   1.379
   20   2HB   GLN   3          2HB       GLN   3   8.074  -5.499   0.386
   21   1HG   GLN   3          1HG       GLN   3   8.131  -3.920   2.185
   22   2HG   GLN   3          2HG       GLN   3   7.093  -4.944   3.175
   23   1HE2  GLN   3          1HE2      GLN   3   7.953  -7.020   3.851
   24   2HE2  GLN   3          2HE2      GLN   3   9.659  -7.192   4.092
   25    H    GLU   4           H        GLU   4   6.810  -4.941  -1.726
   26    HA   GLU   4           HA       GLU   4   7.735  -2.318  -1.927
   27   1HB   GLU   4          1HB       GLU   4   7.204  -4.524  -3.742
   28   2HB   GLU   4          2HB       GLU   4   6.829  -2.976  -4.487
   29   1HG   GLU   4          1HG       GLU   4   9.431  -3.398  -3.075
   30   2HG   GLU   4          2HG       GLU   4   9.200  -3.953  -4.732
   31    H    LEU   5           H        LEU   5   4.530  -3.658  -2.664
   32    HA   LEU   5           HA       LEU   5   3.438  -1.201  -3.607
   33   1HB   LEU   5          1HB       LEU   5   2.632  -3.687  -3.914
   34   2HB   LEU   5          2HB       LEU   5   1.734  -3.362  -2.445
   35    HG   LEU   5           HG       LEU   5   1.506  -1.676  -4.936
   36   1HD1  LEU   5          1HD1      LEU   5  -0.328  -2.898  -5.633
   37   2HD1  LEU   5          2HD1      LEU   5  -0.557  -3.650  -4.055
   38   3HD1  LEU   5          3HD1      LEU   5   0.781  -4.155  -5.086
   39   1HD2  LEU   5          1HD2      LEU   5   0.480  -1.476  -2.233
   40   2HD2  LEU   5          2HD2      LEU   5  -0.814  -1.504  -3.432
   41   3HD2  LEU   5          3HD2      LEU   5   0.463  -0.292  -3.539
   42    H    LEU   6           H        LEU   6   3.463  -2.847  -0.475
   43    HA   LEU   6           HA       LEU   6   1.620  -1.331   0.929
   44   1HB   LEU   6          1HB       LEU   6   3.298  -3.330   1.533
   45   2HB   LEU   6          2HB       LEU   6   4.092  -2.028   2.376
   46    HG   LEU   6           HG       LEU   6   2.629  -3.201   3.899
   47   1HD1  LEU   6          1HD1      LEU   6   1.314  -1.366   4.729
   48   2HD1  LEU   6          2HD1      LEU   6   1.380  -0.561   3.161
   49   3HD1  LEU   6          3HD1      LEU   6   2.848  -0.750   4.118
   50   1HD2  LEU   6          1HD2      LEU   6   0.365  -2.508   2.035
   51   2HD2  LEU   6          2HD2      LEU   6   0.252  -3.385   3.560
   52   3HD2  LEU   6          3HD2      LEU   6   1.093  -4.107   2.188
   53    H    GLY   7           H        GLY   7   5.132  -0.716   0.626
   54   1HA   GLY   7          1HA       GLY   7   5.184   1.622   2.175
   55   2HA   GLY   7          2HA       GLY   7   6.332   1.219   0.921
   56    H    GLN   8           H        GLN   8   4.277   1.087  -1.158
   57    HA   GLN   8           HA       GLN   8   4.208   3.920  -1.807
   58   1HB   GLN   8          1HB       GLN   8   3.268   1.443  -3.264
   59   2HB   GLN   8          2HB       GLN   8   2.996   3.064  -3.886
   60   1HG   GLN   8          1HG       GLN   8   5.655   1.755  -3.367
   61   2HG   GLN   8          2HG       GLN   8   4.931   2.098  -4.937
   62   1HE2  GLN   8          1HE2      GLN   8   4.505   4.404  -5.410
   63   2HE2  GLN   8          2HE2      GLN   8   5.642   5.574  -4.834
   64    H    TRP   9           H        TRP   9   2.042   1.368  -0.882
   65    HA   TRP   9           HA       TRP   9  -0.429   2.710  -1.131
   66   1HB   TRP   9          1HB       TRP   9  -0.103   0.249  -0.996
   67   2HB   TRP   9          2HB       TRP   9   0.383   0.429   0.681
   68    HD1  TRP   9           HD1      TRP   9  -2.687   1.790  -1.243
   69    HE1  TRP   9           HE1      TRP   9  -4.792   1.173   0.116
   70    HE3  TRP   9           HE3      TRP   9  -0.448  -0.750   2.550
   71    HZ2  TRP   9           HZ2      TRP   9  -5.393  -0.218   2.512
   72    HZ3  TRP   9           HZ3      TRP   9  -1.842  -1.682   4.348
   73    HH2  TRP   9           HH2      TRP   9  -4.267  -1.407   4.324
   74    H    LEU  10           H        LEU  10   1.890   2.274   1.481
   75    HA   LEU  10           HA       LEU  10   0.323   3.577   3.485
   76   1HB   LEU  10          1HB       LEU  10   2.478   1.952   3.561
   77   2HB   LEU  10          2HB       LEU  10   3.260   3.503   3.801
   78    HG   LEU  10           HG       LEU  10   0.900   2.757   5.485
   79   1HD1  LEU  10          1HD1      LEU  10   2.586   0.876   5.481
   80   2HD1  LEU  10          2HD1      LEU  10   2.231   1.598   7.050
   81   3HD1  LEU  10          3HD1      LEU  10   3.722   2.015   6.205
   82   1HD2  LEU  10          1HD2      LEU  10   3.308   4.533   5.804
   83   2HD2  LEU  10          2HD2      LEU  10   2.221   4.133   7.134
   84   3HD2  LEU  10          3HD2      LEU  10   1.609   5.004   5.728
   85    H    LYS  11           H        LYS  11   2.859   4.614   1.257
   86    HA   LYS  11           HA       LYS  11   3.481   7.105   2.303
   87   1HB   LYS  11          1HB       LYS  11   3.577   5.862  -0.382
   88   2HB   LYS  11          2HB       LYS  11   3.598   7.620  -0.358
   89   1HG   LYS  11          1HG       LYS  11   5.592   7.683   0.889
   90   2HG   LYS  11          2HG       LYS  11   5.481   5.970   1.299
   91   1HD   LYS  11          1HD       LYS  11   6.404   5.320  -0.647
   92   2HD   LYS  11          2HD       LYS  11   5.523   6.531  -1.582
   93   1HE   LYS  11          1HE       LYS  11   7.763   7.164  -1.792
   94   2HE   LYS  11          2HE       LYS  11   7.128   8.233  -0.542
   95   1HZ   LYS  11          1HZ       LYS  11   8.093   6.788   1.137
   96   2HZ   LYS  11          2HZ       LYS  11   9.285   7.333   0.068
   97   3HZ   LYS  11          3HZ       LYS  11   8.694   5.753  -0.061
   98    H    ASP  12           H        ASP  12   0.826   6.202   0.127
   99    HA   ASP  12           HA       ASP  12  -0.224   8.840  -0.112
  100   1HB   ASP  12          1HB       ASP  12  -0.594   6.838  -1.682
  101   2HB   ASP  12          2HB       ASP  12  -1.805   6.304  -0.523
  102    H    GLY  13           H        GLY  13  -0.963   6.062   1.949
  103   1HA   GLY  13          1HA       GLY  13  -1.612   7.076   4.276
  104   2HA   GLY  13          2HA       GLY  13  -3.020   7.604   3.367
  105    H    GLY  14           H        GLY  14  -1.225   4.544   3.205
  106   1HA   GLY  14          1HA       GLY  14  -1.982   2.384   3.183
  107   2HA   GLY  14          2HA       GLY  14  -2.660   2.861   4.731
  108    HA   PRO  15           HA       PRO  15  -6.345   1.183   2.675
  109   1HB   PRO  15          1HB       PRO  15  -7.349   2.092   5.326
  110   2HB   PRO  15          2HB       PRO  15  -7.646   0.580   4.479
  111   1HG   PRO  15          1HG       PRO  15  -5.953   0.672   6.520
  112   2HG   PRO  15          2HG       PRO  15  -5.574  -0.298   5.084
  113   1HD   PRO  15          1HD       PRO  15  -4.471   2.352   5.920
  114   2HD   PRO  15          2HD       PRO  15  -3.666   1.004   5.101
  115    H    SER  16           H        SER  16  -6.207   4.225   4.521
  116    HA   SER  16           HA       SER  16  -8.584   5.274   3.401
  117   1HB   SER  16          1HB       SER  16  -8.158   7.218   4.624
  118   2HB   SER  16          2HB       SER  16  -7.338   5.976   5.569
  119    HG   SER  16           HG       SER  16  -5.396   6.669   4.800
  120    H    SER  17           H        SER  17  -5.421   4.984   2.114
  121    HA   SER  17           HA       SER  17  -5.111   7.227   0.525
  122   1HB   SER  17          1HB       SER  17  -3.597   5.951  -0.803
  123   2HB   SER  17          2HB       SER  17  -3.474   5.310   0.835
  124    HG   SER  17           HG       SER  17  -4.279   4.081  -1.458
  125    H    GLY  18           H        GLY  18  -7.118   4.377  -0.047
  126   1HA   GLY  18          1HA       GLY  18  -9.181   5.226  -1.396
  127   2HA   GLY  18          2HA       GLY  18  -7.966   5.458  -2.645
  128    H    ARG  19           H        ARG  19  -6.396   3.237  -2.363
  129    HA   ARG  19           HA       ARG  19  -8.217   1.128  -3.263
  130   1HB   ARG  19          1HB       ARG  19  -6.210   0.082  -4.223
  131   2HB   ARG  19          2HB       ARG  19  -6.405   1.735  -4.785
  132   1HG   ARG  19          1HG       ARG  19  -4.495   2.427  -3.824
  133   2HG   ARG  19          2HG       ARG  19  -4.732   1.427  -2.390
  134   1HD   ARG  19          1HD       ARG  19  -3.619  -0.342  -3.272
  135   2HD   ARG  19          2HD       ARG  19  -4.148   0.008  -4.917
  136    HE   ARG  19           HE       ARG  19  -2.240   1.879  -3.809
  137   1HH1  ARG  19          1HH1      ARG  19  -2.686  -1.045  -5.687
  138   2HH1  ARG  19          2HH1      ARG  19  -1.154  -0.911  -6.481
  139   1HH2  ARG  19          1HH2      ARG  19  -0.224   2.044  -4.859
  140   2HH2  ARG  19          2HH2      ARG  19   0.243   0.840  -6.012
  141    HA   PRO  20           HA       PRO  20  -7.508  -1.428   0.273
  142   1HB   PRO  20          1HB       PRO  20  -7.554  -3.919  -0.763
  143   2HB   PRO  20          2HB       PRO  20  -8.998  -2.904  -0.688
  144   1HG   PRO  20          1HG       PRO  20  -7.173  -3.435  -2.999
  145   2HG   PRO  20          2HG       PRO  20  -8.944  -3.366  -2.966
  146   1HD   PRO  20          1HD       PRO  20  -7.381  -1.304  -3.822
  147   2HD   PRO  20          2HD       PRO  20  -8.979  -1.074  -3.089
  148    HA   PRO  21           HA       PRO  21  -3.289  -2.589   0.895
  149   1HB   PRO  21          1HB       PRO  21  -3.464  -5.059   2.099
  150   2HB   PRO  21          2HB       PRO  21  -3.718  -3.524   2.932
  151   1HG   PRO  21          1HG       PRO  21  -5.730  -5.439   1.829
  152   2HG   PRO  21          2HG       PRO  21  -5.767  -4.526   3.348
  153   1HD   PRO  21          1HD       PRO  21  -7.191  -3.760   1.202
  154   2HD   PRO  21          2HD       PRO  21  -6.462  -2.579   2.309
  155    HA   PRO  22           HA       PRO  22  -1.960  -5.191  -2.434
  156   1HB   PRO  22          1HB       PRO  22   0.580  -5.708  -1.107
  157   2HB   PRO  22          2HB       PRO  22   0.242  -4.673  -2.493
  158   1HG   PRO  22          1HG       PRO  22   0.966  -3.709  -0.056
  159   2HG   PRO  22          2HG       PRO  22  -0.052  -2.810  -1.194
  160   1HD   PRO  22          1HD       PRO  22  -0.849  -4.392   1.221
  161   2HD   PRO  22          2HD       PRO  22  -1.458  -2.825   0.648
  162    H    SER  23           H        SER  23  -3.594  -6.814  -1.525
  163    HA   SER  23           HA       SER  23  -2.259  -9.354  -1.249
  164   1HB   SER  23          1HB       SER  23  -2.521  -8.401   1.114
  165   2HB   SER  23          2HB       SER  23  -4.255  -8.633   0.897
  166    HG   SER  23           HG       SER  23  -4.006 -10.728   1.081
  Start of MODEL   22
    1    H    ALA   1           H        ALA   1   7.576  -6.813  -2.899
    2    HA   ALA   1           HA       ALA   1   6.389  -6.329  -5.045
    3   1HB   ALA   1          1HB       ALA   1   5.421  -9.130  -4.528
    4   2HB   ALA   1          2HB       ALA   1   6.405  -8.612  -5.897
    5   3HB   ALA   1          3HB       ALA   1   4.756  -8.011  -5.717
    6    H    LEU   2           H        LEU   2   5.326  -8.319  -2.339
    7    HA   LEU   2           HA       LEU   2   2.937  -6.855  -1.867
    8   1HB   LEU   2          1HB       LEU   2   4.470  -8.690  -0.022
    9   2HB   LEU   2          2HB       LEU   2   2.848  -8.095   0.272
   10    HG   LEU   2           HG       LEU   2   3.502  -9.718  -2.174
   11   1HD1  LEU   2          1HD1      LEU   2   2.749 -11.700  -0.970
   12   2HD1  LEU   2          2HD1      LEU   2   2.618 -10.758   0.515
   13   3HD1  LEU   2          3HD1      LEU   2   4.197 -11.019  -0.228
   14   1HD2  LEU   2          1HD2      LEU   2   0.941  -9.257  -0.647
   15   2HD2  LEU   2          2HD2      LEU   2   1.119 -10.205  -2.124
   16   3HD2  LEU   2          3HD2      LEU   2   1.396  -8.463  -2.155
   17    H    GLN   3           H        GLN   3   6.081  -6.921  -0.192
   18    HA   GLN   3           HA       GLN   3   5.450  -4.879   1.669
   19   1HB   GLN   3          1HB       GLN   3   7.366  -6.643   1.696
   20   2HB   GLN   3          2HB       GLN   3   8.254  -5.453   0.754
   21   1HG   GLN   3          1HG       GLN   3   8.933  -4.831   2.817
   22   2HG   GLN   3          2HG       GLN   3   7.462  -3.864   2.726
   23   1HE2  GLN   3          1HE2      GLN   3   9.052  -6.532   4.233
   24   2HE2  GLN   3          2HE2      GLN   3   7.836  -6.863   5.420
   25    H    GLU   4           H        GLU   4   7.024  -4.853  -1.507
   26    HA   GLU   4           HA       GLU   4   7.846  -2.166  -1.512
   27   1HB   GLU   4          1HB       GLU   4   7.031  -3.871  -3.875
   28   2HB   GLU   4          2HB       GLU   4   7.963  -2.383  -3.955
   29   1HG   GLU   4          1HG       GLU   4   8.792  -5.037  -2.828
   30   2HG   GLU   4          2HG       GLU   4   9.507  -4.144  -4.169
   31    H    LEU   5           H        LEU   5   4.829  -3.675  -2.649
   32    HA   LEU   5           HA       LEU   5   3.660  -1.268  -3.591
   33   1HB   LEU   5          1HB       LEU   5   3.023  -3.757  -4.048
   34   2HB   LEU   5          2HB       LEU   5   2.029  -3.582  -2.615
   35    HG   LEU   5           HG       LEU   5   1.802  -1.744  -4.993
   36   1HD1  LEU   5          1HD1      LEU   5  -0.370  -3.620  -4.686
   37   2HD1  LEU   5          2HD1      LEU   5   1.160  -4.448  -4.977
   38   3HD1  LEU   5          3HD1      LEU   5   0.589  -3.227  -6.113
   39   1HD2  LEU   5          1HD2      LEU   5  -0.619  -1.925  -3.655
   40   2HD2  LEU   5          2HD2      LEU   5   0.533  -0.593  -3.569
   41   3HD2  LEU   5          3HD2      LEU   5   0.584  -1.879  -2.366
   42    H    LEU   6           H        LEU   6   3.621  -2.925  -0.473
   43    HA   LEU   6           HA       LEU   6   1.574  -1.483   0.784
   44   1HB   LEU   6          1HB       LEU   6   3.105  -3.512   1.507
   45   2HB   LEU   6          2HB       LEU   6   3.972  -2.259   2.354
   46    HG   LEU   6           HG       LEU   6   2.405  -3.319   3.857
   47   1HD1  LEU   6          1HD1      LEU   6   2.800  -0.829   3.950
   48   2HD1  LEU   6          2HD1      LEU   6   1.327  -1.411   4.728
   49   3HD1  LEU   6          3HD1      LEU   6   1.243  -0.641   3.144
   50   1HD2  LEU   6          1HD2      LEU   6   0.822  -4.155   2.192
   51   2HD2  LEU   6          2HD2      LEU   6   0.256  -2.510   1.903
   52   3HD2  LEU   6          3HD2      LEU   6   0.001  -3.265   3.476
   53    H    GLY   7           H        GLY   7   5.086  -0.862   0.703
   54   1HA   GLY   7          1HA       GLY   7   5.033   1.479   2.269
   55   2HA   GLY   7          2HA       GLY   7   6.273   1.062   1.103
   56    H    GLN   8           H        GLN   8   4.346   0.890  -1.106
   57    HA   GLN   8           HA       GLN   8   4.359   3.689  -1.851
   58   1HB   GLN   8          1HB       GLN   8   4.797   1.893  -3.511
   59   2HB   GLN   8          2HB       GLN   8   3.158   1.301  -3.283
   60   1HG   GLN   8          1HG       GLN   8   3.091   2.552  -5.255
   61   2HG   GLN   8          2HG       GLN   8   2.377   3.594  -4.026
   62   1HE2  GLN   8          1HE2      GLN   8   3.402   5.475  -3.448
   63   2HE2  GLN   8          2HE2      GLN   8   4.783   6.094  -4.286
   64    H    TRP   9           H        TRP   9   2.056   1.225  -0.969
   65    HA   TRP   9           HA       TRP   9  -0.345   2.666  -1.293
   66   1HB   TRP   9          1HB       TRP   9  -0.140   0.201  -1.121
   67   2HB   TRP   9          2HB       TRP   9   0.329   0.377   0.562
   68    HD1  TRP   9           HD1      TRP   9  -2.649   1.890  -1.399
   69    HE1  TRP   9           HE1      TRP   9  -4.795   1.376  -0.061
   70    HE3  TRP   9           HE3      TRP   9  -0.579  -0.792   2.390
   71    HZ2  TRP   9           HZ2      TRP   9  -5.490   0.006   2.321
   72    HZ3  TRP   9           HZ3      TRP   9  -2.033  -1.663   4.171
   73    HH2  TRP   9           HH2      TRP   9  -4.440  -1.262   4.132
   74    H    LEU  10           H        LEU  10   1.876   2.181   1.393
   75    HA   LEU  10           HA       LEU  10   0.327   3.521   3.363
   76   1HB   LEU  10          1HB       LEU  10   2.370   1.885   3.572
   77   2HB   LEU  10          2HB       LEU  10   3.305   3.366   3.523
   78    HG   LEU  10           HG       LEU  10   1.678   4.113   5.445
   79   1HD1  LEU  10          1HD1      LEU  10   0.225   2.142   5.262
   80   2HD1  LEU  10          2HD1      LEU  10   0.963   2.278   6.858
   81   3HD1  LEU  10          3HD1      LEU  10   1.588   1.109   5.696
   82   1HD2  LEU  10          1HD2      LEU  10   3.917   2.132   5.851
   83   2HD2  LEU  10          2HD2      LEU  10   3.260   3.205   7.086
   84   3HD2  LEU  10          3HD2      LEU  10   4.085   3.879   5.680
   85    H    LYS  11           H        LYS  11   2.750   4.592   1.044
   86    HA   LYS  11           HA       LYS  11   3.379   7.092   2.093
   87   1HB   LYS  11          1HB       LYS  11   4.288   5.820  -0.009
   88   2HB   LYS  11          2HB       LYS  11   3.044   6.722  -0.864
   89   1HG   LYS  11          1HG       LYS  11   4.049   8.771  -0.425
   90   2HG   LYS  11          2HG       LYS  11   5.000   8.125   0.913
   91   1HD   LYS  11          1HD       LYS  11   6.639   8.204  -0.661
   92   2HD   LYS  11          2HD       LYS  11   5.986   6.611  -1.045
   93   1HE   LYS  11          1HE       LYS  11   4.550   7.655  -2.767
   94   2HE   LYS  11          2HE       LYS  11   5.298   9.211  -2.413
   95   1HZ   LYS  11          1HZ       LYS  11   6.267   8.075  -4.356
   96   2HZ   LYS  11          2HZ       LYS  11   6.782   6.816  -3.351
   97   3HZ   LYS  11          3HZ       LYS  11   7.405   8.375  -3.141
   98    H    ASP  12           H        ASP  12   0.687   6.138  -0.017
   99    HA   ASP  12           HA       ASP  12  -0.391   8.779  -0.226
  100   1HB   ASP  12          1HB       ASP  12  -0.731   6.843  -1.857
  101   2HB   ASP  12          2HB       ASP  12  -1.890   6.199  -0.705
  102    H    GLY  13           H        GLY  13  -0.891   6.040   1.919
  103   1HA   GLY  13          1HA       GLY  13  -1.596   6.949   4.212
  104   2HA   GLY  13          2HA       GLY  13  -3.008   7.522   3.339
  105    H    GLY  14           H        GLY  14  -1.295   4.429   3.000
  106   1HA   GLY  14          1HA       GLY  14  -2.132   2.296   2.911
  107   2HA   GLY  14          2HA       GLY  14  -2.665   2.711   4.530
  108    HA   PRO  15           HA       PRO  15  -6.587   1.261   2.781
  109   1HB   PRO  15          1HB       PRO  15  -7.338   2.244   5.492
  110   2HB   PRO  15          2HB       PRO  15  -7.786   0.745   4.685
  111   1HG   PRO  15          1HG       PRO  15  -5.941   0.740   6.586
  112   2HG   PRO  15          2HG       PRO  15  -5.717  -0.243   5.126
  113   1HD   PRO  15          1HD       PRO  15  -4.434   2.352   5.873
  114   2HD   PRO  15          2HD       PRO  15  -3.748   0.965   5.014
  115    H    SER  16           H        SER  16  -6.177   4.273   4.630
  116    HA   SER  16           HA       SER  16  -8.542   5.486   3.675
  117   1HB   SER  16          1HB       SER  16  -6.057   6.656   4.936
  118   2HB   SER  16          2HB       SER  16  -7.488   7.611   4.546
  119    HG   SER  16           HG       SER  16  -7.452   6.826   6.726
  120    H    SER  17           H        SER  17  -5.401   5.124   2.263
  121    HA   SER  17           HA       SER  17  -5.113   7.321   0.631
  122   1HB   SER  17          1HB       SER  17  -3.657   6.029  -0.697
  123   2HB   SER  17          2HB       SER  17  -3.567   5.288   0.898
  124    HG   SER  17           HG       SER  17  -3.933   3.942  -1.145
  125    H    GLY  18           H        GLY  18  -7.185   4.497   0.120
  126   1HA   GLY  18          1HA       GLY  18  -9.302   5.385  -1.114
  127   2HA   GLY  18          2HA       GLY  18  -8.145   5.636  -2.411
  128    H    ARG  19           H        ARG  19  -6.577   3.392  -2.239
  129    HA   ARG  19           HA       ARG  19  -8.459   1.320  -3.099
  130   1HB   ARG  19          1HB       ARG  19  -6.538   0.284  -4.205
  131   2HB   ARG  19          2HB       ARG  19  -6.715   1.963  -4.694
  132   1HG   ARG  19          1HG       ARG  19  -4.739   2.565  -3.812
  133   2HG   ARG  19          2HG       ARG  19  -4.928   1.521  -2.404
  134   1HD   ARG  19          1HD       ARG  19  -3.487   0.100  -3.317
  135   2HD   ARG  19          2HD       ARG  19  -4.649  -0.193  -4.610
  136    HE   ARG  19           HE       ARG  19  -3.273   2.133  -5.255
  137   1HH1  ARG  19          1HH1      ARG  19  -2.552  -1.267  -4.821
  138   2HH1  ARG  19          2HH1      ARG  19  -1.229  -1.253  -5.938
  139   1HH2  ARG  19          1HH2      ARG  19  -1.531   2.144  -6.724
  140   2HH2  ARG  19          2HH2      ARG  19  -0.650   0.683  -7.019
  141    HA   PRO  20           HA       PRO  20  -7.643  -1.355   0.321
  142   1HB   PRO  20          1HB       PRO  20  -7.510  -3.703  -1.417
  143   2HB   PRO  20          2HB       PRO  20  -8.761  -3.242  -0.260
  144   1HG   PRO  20          1HG       PRO  20  -9.167  -3.195  -2.932
  145   2HG   PRO  20          2HG       PRO  20  -9.959  -2.057  -1.825
  146   1HD   PRO  20          1HD       PRO  20  -7.562  -1.640  -3.577
  147   2HD   PRO  20          2HD       PRO  20  -8.937  -0.555  -3.271
  148    HA   PRO  21           HA       PRO  21  -3.385  -2.456   0.747
  149   1HB   PRO  21          1HB       PRO  21  -3.469  -4.882   2.016
  150   2HB   PRO  21          2HB       PRO  21  -3.760  -3.338   2.822
  151   1HG   PRO  21          1HG       PRO  21  -5.732  -5.337   1.789
  152   2HG   PRO  21          2HG       PRO  21  -5.758  -4.419   3.306
  153   1HD   PRO  21          1HD       PRO  21  -7.256  -3.710   1.187
  154   2HD   PRO  21          2HD       PRO  21  -6.546  -2.503   2.278
  155    HA   PRO  22           HA       PRO  22  -2.248  -5.099  -2.630
  156   1HB   PRO  22          1HB       PRO  22   0.384  -5.425  -2.131
  157   2HB   PRO  22          2HB       PRO  22  -0.292  -3.879  -2.655
  158   1HG   PRO  22          1HG       PRO  22   0.458  -4.780   0.097
  159   2HG   PRO  22          2HG       PRO  22   0.749  -3.217  -0.686
  160   1HD   PRO  22          1HD       PRO  22  -1.285  -3.655   1.080
  161   2HD   PRO  22          2HD       PRO  22  -1.364  -2.452  -0.221
  162    H    SER  23           H        SER  23  -3.654  -6.773  -1.465
  163    HA   SER  23           HA       SER  23  -2.063  -9.171  -1.106
  164   1HB   SER  23          1HB       SER  23  -2.390  -8.119   1.185
  165   2HB   SER  23          2HB       SER  23  -4.111  -8.456   0.996
  166    HG   SER  23           HG       SER  23  -3.749 -10.527   1.283
  Start of MODEL   23
    1    H    ALA   1           H        ALA   1   4.830  -8.013  -6.128
    2    HA   ALA   1           HA       ALA   1   6.426  -8.122  -4.377
    3   1HB   ALA   1          1HB       ALA   1   8.176  -6.773  -5.351
    4   2HB   ALA   1          2HB       ALA   1   7.710  -6.099  -3.790
    5   3HB   ALA   1          3HB       ALA   1   7.154  -5.338  -5.280
    6    H    LEU   2           H        LEU   2   4.779  -8.294  -2.982
    7    HA   LEU   2           HA       LEU   2   2.714  -6.347  -2.715
    8   1HB   LEU   2          1HB       LEU   2   3.477  -8.725  -1.025
    9   2HB   LEU   2          2HB       LEU   2   2.079  -7.719  -0.694
   10    HG   LEU   2           HG       LEU   2   2.503  -9.282  -3.243
   11   1HD1  LEU   2          1HD1      LEU   2   0.834  -9.877  -0.808
   12   2HD1  LEU   2          2HD1      LEU   2   2.176 -10.826  -1.446
   13   3HD1  LEU   2          3HD1      LEU   2   0.669 -10.708  -2.354
   14   1HD2  LEU   2          1HD2      LEU   2   1.079  -7.605  -3.885
   15   2HD2  LEU   2          2HD2      LEU   2   0.394  -7.417  -2.271
   16   3HD2  LEU   2          3HD2      LEU   2  -0.076  -8.789  -3.275
   17    H    GLN   3           H        GLN   3   5.573  -7.180  -0.781
   18    HA   GLN   3           HA       GLN   3   5.098  -5.429   1.364
   19   1HB   GLN   3          1HB       GLN   3   6.980  -7.309   0.838
   20   2HB   GLN   3          2HB       GLN   3   7.919  -5.847   0.572
   21   1HG   GLN   3          1HG       GLN   3   6.362  -6.449   3.076
   22   2HG   GLN   3          2HG       GLN   3   8.089  -6.740   2.868
   23   1HE2  GLN   3          1HE2      GLN   3   9.428  -4.847   2.360
   24   2HE2  GLN   3          2HE2      GLN   3   8.989  -3.319   3.043
   25    H    GLU   4           H        GLU   4   6.881  -4.965  -1.676
   26    HA   GLU   4           HA       GLU   4   7.788  -2.349  -1.146
   27   1HB   GLU   4          1HB       GLU   4   7.329  -3.897  -3.686
   28   2HB   GLU   4          2HB       GLU   4   7.863  -2.222  -3.725
   29   1HG   GLU   4          1HG       GLU   4   9.786  -2.916  -2.261
   30   2HG   GLU   4          2HG       GLU   4   9.294  -4.584  -2.543
   31    H    LEU   5           H        LEU   5   4.858  -3.563  -2.738
   32    HA   LEU   5           HA       LEU   5   3.818  -1.065  -3.515
   33   1HB   LEU   5          1HB       LEU   5   3.096  -3.648  -3.922
   34   2HB   LEU   5          2HB       LEU   5   1.859  -3.131  -2.794
   35    HG   LEU   5           HG       LEU   5   1.580  -2.905  -5.424
   36   1HD1  LEU   5          1HD1      LEU   5   0.596  -1.094  -3.253
   37   2HD1  LEU   5          2HD1      LEU   5  -0.242  -2.422  -4.057
   38   3HD1  LEU   5          3HD1      LEU   5   0.052  -0.914  -4.921
   39   1HD2  LEU   5          1HD2      LEU   5   3.605  -1.387  -5.519
   40   2HD2  LEU   5          2HD2      LEU   5   2.600  -0.168  -4.733
   41   3HD2  LEU   5          3HD2      LEU   5   2.143  -0.803  -6.314
   42    H    LEU   6           H        LEU   6   3.772  -2.764  -0.464
   43    HA   LEU   6           HA       LEU   6   1.641  -1.399   0.780
   44   1HB   LEU   6          1HB       LEU   6   3.324  -3.422   1.452
   45   2HB   LEU   6          2HB       LEU   6   3.891  -2.152   2.505
   46    HG   LEU   6           HG       LEU   6   2.232  -3.623   3.590
   47   1HD1  LEU   6          1HD1      LEU   6   0.759  -1.832   4.434
   48   2HD1  LEU   6          2HD1      LEU   6   1.350  -0.774   3.153
   49   3HD1  LEU   6          3HD1      LEU   6   2.458  -1.362   4.392
   50   1HD2  LEU   6          1HD2      LEU   6   0.250  -2.475   1.636
   51   2HD2  LEU   6          2HD2      LEU   6  -0.055  -3.664   2.901
   52   3HD2  LEU   6          3HD2      LEU   6   0.939  -4.093   1.509
   53    H    GLY   7           H        GLY   7   5.146  -0.758   0.718
   54   1HA   GLY   7          1HA       GLY   7   5.074   1.503   2.412
   55   2HA   GLY   7          2HA       GLY   7   6.329   1.140   1.244
   56    H    GLN   8           H        GLN   8   4.456   1.064  -1.001
   57    HA   GLN   8           HA       GLN   8   4.448   3.896  -1.611
   58   1HB   GLN   8          1HB       GLN   8   3.289   1.580  -3.188
   59   2HB   GLN   8          2HB       GLN   8   3.533   3.213  -3.788
   60   1HG   GLN   8          1HG       GLN   8   5.597   1.148  -3.107
   61   2HG   GLN   8          2HG       GLN   8   5.299   1.937  -4.654
   62   1HE2  GLN   8          1HE2      GLN   8   5.740   4.268  -4.756
   63   2HE2  GLN   8          2HE2      GLN   8   7.044   4.905  -3.816
   64    H    TRP   9           H        TRP   9   2.158   1.365  -0.892
   65    HA   TRP   9           HA       TRP   9  -0.258   2.773  -1.199
   66   1HB   TRP   9          1HB       TRP   9  -0.039   0.318  -1.093
   67   2HB   TRP   9          2HB       TRP   9   0.464   0.439   0.583
   68    HD1  TRP   9           HD1      TRP   9  -2.589   1.910  -1.290
   69    HE1  TRP   9           HE1      TRP   9  -4.697   1.310   0.075
   70    HE3  TRP   9           HE3      TRP   9  -0.372  -0.738   2.439
   71    HZ2  TRP   9           HZ2      TRP   9  -5.309  -0.106   2.457
   72    HZ3  TRP   9           HZ3      TRP   9  -1.769  -1.672   4.235
   73    HH2  TRP   9           HH2      TRP   9  -4.187  -1.348   4.236
   74    H    LEU  10           H        LEU  10   1.911   2.211   1.525
   75    HA   LEU  10           HA       LEU  10   0.335   3.507   3.499
   76   1HB   LEU  10          1HB       LEU  10   2.363   1.876   3.724
   77   2HB   LEU  10          2HB       LEU  10   3.319   3.344   3.666
   78    HG   LEU  10           HG       LEU  10   1.673   4.103   5.588
   79   1HD1  LEU  10          1HD1      LEU  10   1.034   2.256   7.033
   80   2HD1  LEU  10          2HD1      LEU  10   1.655   1.100   5.855
   81   3HD1  LEU  10          3HD1      LEU  10   0.264   2.106   5.454
   82   1HD2  LEU  10          1HD2      LEU  10   3.297   3.284   7.218
   83   2HD2  LEU  10          2HD2      LEU  10   4.098   3.918   5.781
   84   3HD2  LEU  10          3HD2      LEU  10   3.954   2.175   6.013
   85    H    LYS  11           H        LYS  11   2.737   4.650   1.204
   86    HA   LYS  11           HA       LYS  11   3.308   7.151   2.332
   87   1HB   LYS  11          1HB       LYS  11   4.279   5.871   0.219
   88   2HB   LYS  11          2HB       LYS  11   3.116   6.876  -0.635
   89   1HG   LYS  11          1HG       LYS  11   4.149   8.879   0.318
   90   2HG   LYS  11          2HG       LYS  11   5.320   7.864   1.163
   91   1HD   LYS  11          1HD       LYS  11   6.588   8.255  -0.663
   92   2HD   LYS  11          2HD       LYS  11   5.622   6.954  -1.363
   93   1HE   LYS  11          1HE       LYS  11   5.422   8.575  -2.981
   94   2HE   LYS  11          2HE       LYS  11   3.997   8.901  -1.998
   95   1HZ   LYS  11          1HZ       LYS  11   5.205  10.657  -0.872
   96   2HZ   LYS  11          2HZ       LYS  11   5.208  10.928  -2.542
   97   3HZ   LYS  11          3HZ       LYS  11   6.594  10.328  -1.781
   98    H    ASP  12           H        ASP  12   0.571   6.016   0.468
   99    HA   ASP  12           HA       ASP  12  -0.546   8.719   0.324
  100   1HB   ASP  12          1HB       ASP  12  -0.470   6.971  -1.631
  101   2HB   ASP  12          2HB       ASP  12  -1.885   6.297  -0.835
  102    H    GLY  13           H        GLY  13  -0.354   7.428   2.888
  103   1HA   GLY  13          1HA       GLY  13  -1.660   7.286   4.775
  104   2HA   GLY  13          2HA       GLY  13  -3.031   7.793   3.801
  105    H    GLY  14           H        GLY  14  -1.061   4.954   3.119
  106   1HA   GLY  14          1HA       GLY  14  -1.664   2.768   2.811
  107   2HA   GLY  14          2HA       GLY  14  -2.314   2.939   4.432
  108    HA   PRO  15           HA       PRO  15  -6.069   1.453   2.440
  109   1HB   PRO  15          1HB       PRO  15  -7.089   2.339   5.091
  110   2HB   PRO  15          2HB       PRO  15  -7.363   0.828   4.236
  111   1HG   PRO  15          1HG       PRO  15  -5.691   0.930   6.293
  112   2HG   PRO  15          2HG       PRO  15  -5.292  -0.035   4.861
  113   1HD   PRO  15          1HD       PRO  15  -4.229   2.629   5.701
  114   2HD   PRO  15          2HD       PRO  15  -3.392   1.284   4.907
  115    H    SER  16           H        SER  16  -5.892   4.468   4.310
  116    HA   SER  16           HA       SER  16  -8.271   5.609   3.461
  117   1HB   SER  16          1HB       SER  16  -6.624   6.432   5.264
  118   2HB   SER  16          2HB       SER  16  -5.792   7.254   3.944
  119    HG   SER  16           HG       SER  16  -8.271   7.777   5.094
  120    H    SER  17           H        SER  17  -5.268   5.237   1.741
  121    HA   SER  17           HA       SER  17  -5.286   7.231  -0.137
  122   1HB   SER  17          1HB       SER  17  -4.020   5.774  -1.568
  123   2HB   SER  17          2HB       SER  17  -3.579   5.390   0.094
  124    HG   SER  17           HG       SER  17  -4.842   3.560  -0.010
  125    H    GLY  18           H        GLY  18  -7.105   4.176  -0.280
  126   1HA   GLY  18          1HA       GLY  18  -9.466   4.808  -1.236
  127   2HA   GLY  18          2HA       GLY  18  -8.508   5.102  -2.680
  128    H    ARG  19           H        ARG  19  -6.658   2.988  -2.370
  129    HA   ARG  19           HA       ARG  19  -8.353   0.751  -3.170
  130   1HB   ARG  19          1HB       ARG  19  -6.268  -0.237  -4.035
  131   2HB   ARG  19          2HB       ARG  19  -6.554   1.370  -4.688
  132   1HG   ARG  19          1HG       ARG  19  -4.536   1.985  -4.022
  133   2HG   ARG  19          2HG       ARG  19  -5.000   1.685  -2.349
  134   1HD   ARG  19          1HD       ARG  19  -3.069   0.379  -2.738
  135   2HD   ARG  19          2HD       ARG  19  -4.433  -0.737  -2.747
  136    HE   ARG  19           HE       ARG  19  -3.655   0.242  -5.349
  137   1HH1  ARG  19          1HH1      ARG  19  -3.183  -2.259  -2.942
  138   2HH1  ARG  19          2HH1      ARG  19  -2.589  -3.415  -4.083
  139   1HH2  ARG  19          1HH2      ARG  19  -2.871  -1.290  -6.847
  140   2HH2  ARG  19          2HH2      ARG  19  -2.412  -2.867  -6.299
  141    HA   PRO  20           HA       PRO  20  -7.737  -1.542   0.559
  142   1HB   PRO  20          1HB       PRO  20  -7.694  -4.026  -1.001
  143   2HB   PRO  20          2HB       PRO  20  -8.900  -3.451   0.154
  144   1HG   PRO  20          1HG       PRO  20  -9.391  -3.568  -2.496
  145   2HG   PRO  20          2HG       PRO  20 -10.094  -2.315  -1.456
  146   1HD   PRO  20          1HD       PRO  20  -7.744  -2.143  -3.311
  147   2HD   PRO  20          2HD       PRO  20  -9.054  -0.973  -3.038
  148    HA   PRO  21           HA       PRO  21  -3.538  -2.642   1.327
  149   1HB   PRO  21          1HB       PRO  21  -4.485  -5.310   2.254
  150   2HB   PRO  21          2HB       PRO  21  -3.447  -4.136   3.069
  151   1HG   PRO  21          1HG       PRO  21  -6.006  -4.445   3.774
  152   2HG   PRO  21          2HG       PRO  21  -5.230  -2.852   3.782
  153   1HD   PRO  21          1HD       PRO  21  -7.198  -3.988   1.867
  154   2HD   PRO  21          2HD       PRO  21  -6.958  -2.308   2.376
  155    HA   PRO  22           HA       PRO  22  -2.468  -4.748  -2.490
  156   1HB   PRO  22          1HB       PRO  22   0.239  -4.606  -1.284
  157   2HB   PRO  22          2HB       PRO  22  -0.315  -4.062  -2.870
  158   1HG   PRO  22          1HG       PRO  22   0.206  -2.315  -0.917
  159   2HG   PRO  22          2HG       PRO  22  -1.140  -2.063  -2.044
  160   1HD   PRO  22          1HD       PRO  22  -1.190  -3.000   0.788
  161   2HD   PRO  22          2HD       PRO  22  -2.334  -1.957  -0.074
  162    H    SER  23           H        SER  23  -0.783  -5.681   0.492
  163    HA   SER  23           HA       SER  23  -0.428  -8.394  -0.373
  164   1HB   SER  23          1HB       SER  23   0.419  -8.733   1.981
  165   2HB   SER  23          2HB       SER  23   1.264  -7.487   1.064
  166    HG   SER  23           HG       SER  23   0.722  -6.153   2.578
  Start of MODEL   24
    1    H    ALA   1           H        ALA   1   3.883  -7.287  -5.833
    2    HA   ALA   1           HA       ALA   1   5.581  -8.414  -3.709
    3   1HB   ALA   1          1HB       ALA   1   5.642  -5.621  -4.820
    4   2HB   ALA   1          2HB       ALA   1   6.658  -6.917  -5.452
    5   3HB   ALA   1          3HB       ALA   1   6.818  -6.412  -3.769
    6    H    LEU   2           H        LEU   2   4.717  -8.249  -1.756
    7    HA   LEU   2           HA       LEU   2   2.328  -6.637  -1.358
    8   1HB   LEU   2          1HB       LEU   2   3.636  -8.895   0.041
    9   2HB   LEU   2          2HB       LEU   2   2.752  -7.769   1.052
   10    HG   LEU   2           HG       LEU   2   1.410  -8.898  -1.369
   11   1HD1  LEU   2          1HD1      LEU   2   2.414 -10.827  -0.222
   12   2HD1  LEU   2          2HD1      LEU   2   0.654 -10.824  -0.109
   13   3HD1  LEU   2          3HD1      LEU   2   1.627 -10.330   1.276
   14   1HD2  LEU   2          1HD2      LEU   2  -0.569  -8.666   0.068
   15   2HD2  LEU   2          2HD2      LEU   2   0.296  -7.140  -0.119
   16   3HD2  LEU   2          3HD2      LEU   2   0.459  -8.068   1.371
   17    H    GLN   3           H        GLN   3   5.486  -7.042   0.269
   18    HA   GLN   3           HA       GLN   3   5.181  -4.818   1.987
   19   1HB   GLN   3          1HB       GLN   3   7.481  -6.529   1.138
   20   2HB   GLN   3          2HB       GLN   3   7.807  -5.037   2.009
   21   1HG   GLN   3          1HG       GLN   3   5.949  -6.034   3.626
   22   2HG   GLN   3          2HG       GLN   3   6.544  -7.546   2.941
   23   1HE2  GLN   3          1HE2      GLN   3   8.633  -8.219   3.390
   24   2HE2  GLN   3          2HE2      GLN   3   9.591  -7.500   4.638
   25    H    GLU   4           H        GLU   4   6.800  -5.184  -1.158
   26    HA   GLU   4           HA       GLU   4   7.946  -2.635  -1.305
   27   1HB   GLU   4          1HB       GLU   4   6.935  -4.401  -3.540
   28   2HB   GLU   4          2HB       GLU   4   7.957  -2.990  -3.765
   29   1HG   GLU   4          1HG       GLU   4   8.700  -5.460  -2.212
   30   2HG   GLU   4          2HG       GLU   4   9.227  -5.073  -3.850
   31    H    LEU   5           H        LEU   5   4.789  -3.776  -2.513
   32    HA   LEU   5           HA       LEU   5   3.978  -1.224  -3.477
   33   1HB   LEU   5          1HB       LEU   5   3.084  -3.564  -4.100
   34   2HB   LEU   5          2HB       LEU   5   2.078  -3.404  -2.674
   35    HG   LEU   5           HG       LEU   5   2.031  -1.212  -4.698
   36   1HD1  LEU   5          1HD1      LEU   5   1.713  -2.918  -6.225
   37   2HD1  LEU   5          2HD1      LEU   5   0.063  -2.552  -5.719
   38   3HD1  LEU   5          3HD1      LEU   5   0.900  -3.957  -5.055
   39   1HD2  LEU   5          1HD2      LEU   5   0.168  -0.585  -3.623
   40   2HD2  LEU   5          2HD2      LEU   5   0.739  -1.641  -2.333
   41   3HD2  LEU   5          3HD2      LEU   5  -0.439  -2.236  -3.503
   42    H    LEU   6           H        LEU   6   3.669  -2.874  -0.392
   43    HA   LEU   6           HA       LEU   6   1.665  -1.403   0.842
   44   1HB   LEU   6          1HB       LEU   6   3.749  -3.170   1.618
   45   2HB   LEU   6          2HB       LEU   6   3.719  -1.842   2.746
   46    HG   LEU   6           HG       LEU   6   2.351  -3.952   3.295
   47   1HD1  LEU   6          1HD1      LEU   6   0.450  -2.479   4.173
   48   2HD1  LEU   6          2HD1      LEU   6   1.339  -1.137   3.453
   49   3HD1  LEU   6          3HD1      LEU   6   2.092  -2.120   4.707
   50   1HD2  LEU   6          1HD2      LEU   6   0.364  -2.636   1.455
   51   2HD2  LEU   6          2HD2      LEU   6   0.170  -4.133   2.366
   52   3HD2  LEU   6          3HD2      LEU   6   1.307  -4.060   1.021
   53    H    GLY   7           H        GLY   7   5.153  -0.694   0.668
   54   1HA   GLY   7          1HA       GLY   7   5.116   1.630   2.249
   55   2HA   GLY   7          2HA       GLY   7   6.313   1.253   1.027
   56    H    GLN   8           H        GLN   8   4.538   1.139  -1.195
   57    HA   GLN   8           HA       GLN   8   4.378   3.944  -1.818
   58   1HB   GLN   8          1HB       GLN   8   4.597   1.688  -3.343
   59   2HB   GLN   8          2HB       GLN   8   2.887   2.050  -3.535
   60   1HG   GLN   8          1HG       GLN   8   5.142   3.965  -4.096
   61   2HG   GLN   8          2HG       GLN   8   4.271   3.027  -5.308
   62   1HE2  GLN   8          1HE2      GLN   8   4.251   5.808  -3.295
   63   2HE2  GLN   8          2HE2      GLN   8   2.746   6.465  -3.840
   64    H    TRP   9           H        TRP   9   2.148   1.363  -1.065
   65    HA   TRP   9           HA       TRP   9  -0.302   2.694  -1.343
   66   1HB   TRP   9          1HB       TRP   9  -0.048   0.264  -1.186
   67   2HB   TRP   9          2HB       TRP   9   0.555   0.416   0.452
   68    HD1  TRP   9           HD1      TRP   9  -2.653   1.702  -1.292
   69    HE1  TRP   9           HE1      TRP   9  -4.652   1.117   0.237
   70    HE3  TRP   9           HE3      TRP   9  -0.116  -0.642   2.436
   71    HZ2  TRP   9           HZ2      TRP   9  -5.063  -0.175   2.729
   72    HZ3  TRP   9           HZ3      TRP   9  -1.366  -1.514   4.366
   73    HH2  TRP   9           HH2      TRP   9  -3.789  -1.275   4.503
   74    H    LEU  10           H        LEU  10   1.907   2.269   1.374
   75    HA   LEU  10           HA       LEU  10   0.314   3.591   3.319
   76   1HB   LEU  10          1HB       LEU  10   2.838   2.270   3.228
   77   2HB   LEU  10          2HB       LEU  10   3.069   3.834   3.984
   78    HG   LEU  10           HG       LEU  10   1.188   3.253   5.555
   79   1HD1  LEU  10          1HD1      LEU  10   0.597   0.893   5.782
   80   2HD1  LEU  10          2HD1      LEU  10   1.563   0.513   4.355
   81   3HD1  LEU  10          3HD1      LEU  10   0.127   1.525   4.204
   82   1HD2  LEU  10          1HD2      LEU  10   3.538   3.088   6.205
   83   2HD2  LEU  10          2HD2      LEU  10   3.600   1.442   5.576
   84   3HD2  LEU  10          3HD2      LEU  10   2.574   1.819   6.959
   85    H    LYS  11           H        LYS  11   2.669   4.706   0.970
   86    HA   LYS  11           HA       LYS  11   3.220   7.244   2.018
   87   1HB   LYS  11          1HB       LYS  11   4.480   6.247   0.157
   88   2HB   LYS  11          2HB       LYS  11   3.069   6.385  -0.880
   89   1HG   LYS  11          1HG       LYS  11   3.793   8.925   0.318
   90   2HG   LYS  11          2HG       LYS  11   5.108   8.224  -0.625
   91   1HD   LYS  11          1HD       LYS  11   4.089   8.706  -2.548
   92   2HD   LYS  11          2HD       LYS  11   2.585   7.956  -2.007
   93   1HE   LYS  11          1HE       LYS  11   1.964  10.162  -2.372
   94   2HE   LYS  11          2HE       LYS  11   2.264  10.119  -0.636
   95   1HZ   LYS  11          1HZ       LYS  11   4.193  11.075  -2.683
   96   2HZ   LYS  11          2HZ       LYS  11   4.440  11.076  -1.010
   97   3HZ   LYS  11          3HZ       LYS  11   3.251  12.068  -1.688
   98    H    ASP  12           H        ASP  12   0.479   6.028   0.195
   99    HA   ASP  12           HA       ASP  12  -0.675   8.698  -0.056
  100   1HB   ASP  12          1HB       ASP  12  -0.679   6.799  -1.860
  101   2HB   ASP  12          2HB       ASP  12  -2.048   6.182  -0.946
  102    H    GLY  13           H        GLY  13  -0.397   7.043   2.544
  103   1HA   GLY  13          1HA       GLY  13  -1.661   7.291   4.500
  104   2HA   GLY  13          2HA       GLY  13  -3.068   7.672   3.521
  105    H    GLY  14           H        GLY  14  -1.109   4.856   2.850
  106   1HA   GLY  14          1HA       GLY  14  -1.686   2.644   2.719
  107   2HA   GLY  14          2HA       GLY  14  -2.139   2.882   4.398
  108    HA   PRO  15           HA       PRO  15  -6.069   1.228   2.948
  109   1HB   PRO  15          1HB       PRO  15  -6.778   2.242   5.656
  110   2HB   PRO  15          2HB       PRO  15  -7.131   0.685   4.919
  111   1HG   PRO  15          1HG       PRO  15  -5.220   0.899   6.743
  112   2HG   PRO  15          2HG       PRO  15  -4.974  -0.117   5.310
  113   1HD   PRO  15          1HD       PRO  15  -3.893   2.607   5.906
  114   2HD   PRO  15          2HD       PRO  15  -3.113   1.243   5.088
  115    H    SER  16           H        SER  16  -5.764   4.331   4.659
  116    HA   SER  16           HA       SER  16  -8.258   5.352   3.855
  117   1HB   SER  16          1HB       SER  16  -5.754   6.836   4.692
  118   2HB   SER  16          2HB       SER  16  -7.360   7.554   4.560
  119    HG   SER  16           HG       SER  16  -8.011   6.467   6.307
  120    H    SER  17           H        SER  17  -5.262   5.068   2.150
  121    HA   SER  17           HA       SER  17  -5.203   7.142   0.374
  122   1HB   SER  17          1HB       SER  17  -3.975   5.737  -1.111
  123   2HB   SER  17          2HB       SER  17  -3.603   5.173   0.516
  124    HG   SER  17           HG       SER  17  -4.249   3.599  -1.266
  125    H    GLY  18           H        GLY  18  -7.303   4.296   0.235
  126   1HA   GLY  18          1HA       GLY  18  -9.576   5.012  -0.728
  127   2HA   GLY  18          2HA       GLY  18  -8.624   5.402  -2.154
  128    H    ARG  19           H        ARG  19  -6.851   3.271  -2.182
  129    HA   ARG  19           HA       ARG  19  -8.645   1.085  -2.943
  130   1HB   ARG  19          1HB       ARG  19  -6.722   0.220  -4.220
  131   2HB   ARG  19          2HB       ARG  19  -7.137   1.862  -4.688
  132   1HG   ARG  19          1HG       ARG  19  -5.178   2.708  -3.969
  133   2HG   ARG  19          2HG       ARG  19  -5.087   1.615  -2.587
  134   1HD   ARG  19          1HD       ARG  19  -3.598   0.399  -3.696
  135   2HD   ARG  19          2HD       ARG  19  -4.844   0.008  -4.881
  136    HE   ARG  19           HE       ARG  19  -2.697   1.928  -5.165
  137   1HH1  ARG  19          1HH1      ARG  19  -5.769   0.794  -6.412
  138   2HH1  ARG  19          2HH1      ARG  19  -5.528   1.491  -7.976
  139   1HH2  ARG  19          1HH2      ARG  19  -2.388   2.841  -7.231
  140   2HH2  ARG  19          2HH2      ARG  19  -3.612   2.652  -8.443
  141    HA   PRO  20           HA       PRO  20  -7.330  -1.472   0.411
  142   1HB   PRO  20          1HB       PRO  20  -7.602  -3.942  -0.660
  143   2HB   PRO  20          2HB       PRO  20  -8.989  -2.929  -0.240
  144   1HG   PRO  20          1HG       PRO  20  -7.714  -3.384  -2.911
  145   2HG   PRO  20          2HG       PRO  20  -9.435  -3.322  -2.489
  146   1HD   PRO  20          1HD       PRO  20  -8.114  -1.229  -3.607
  147   2HD   PRO  20          2HD       PRO  20  -9.483  -1.023  -2.497
  148    HA   PRO  21           HA       PRO  21  -3.056  -2.576   0.309
  149   1HB   PRO  21          1HB       PRO  21  -3.808  -5.298   1.253
  150   2HB   PRO  21          2HB       PRO  21  -2.659  -4.146   1.939
  151   1HG   PRO  21          1HG       PRO  21  -5.048  -4.548   3.061
  152   2HG   PRO  21          2HG       PRO  21  -4.308  -2.939   3.018
  153   1HD   PRO  21          1HD       PRO  21  -6.550  -4.038   1.400
  154   2HD   PRO  21          2HD       PRO  21  -6.277  -2.385   1.977
  155    HA   PRO  22           HA       PRO  22  -2.032  -4.515  -3.525
  156   1HB   PRO  22          1HB       PRO  22   0.224  -5.945  -2.614
  157   2HB   PRO  22          2HB       PRO  22   0.210  -4.326  -3.312
  158   1HG   PRO  22          1HG       PRO  22   0.251  -5.157  -0.453
  159   2HG   PRO  22          2HG       PRO  22   1.021  -3.762  -1.232
  160   1HD   PRO  22          1HD       PRO  22  -1.169  -3.452   0.250
  161   2HD   PRO  22          2HD       PRO  22  -0.958  -2.532  -1.254
  162    H    SER  23           H        SER  23  -3.668  -5.948  -3.881
  163    HA   SER  23           HA       SER  23  -3.894  -8.440  -2.485
  164   1HB   SER  23          1HB       SER  23  -5.813  -7.142  -3.538
  165   2HB   SER  23          2HB       SER  23  -5.237  -7.730  -5.097
  166    HG   SER  23           HG       SER  23  -6.034  -9.632  -4.665
  Start of MODEL   25
    1    H    ALA   1           H        ALA   1   3.316  -9.015  -4.999
    2    HA   ALA   1           HA       ALA   1   5.663  -8.531  -3.292
    3   1HB   ALA   1          1HB       ALA   1   4.666  -7.132  -5.771
    4   2HB   ALA   1          2HB       ALA   1   6.181  -8.015  -5.580
    5   3HB   ALA   1          3HB       ALA   1   5.926  -6.506  -4.706
    6    H    LEU   2           H        LEU   2   4.133  -8.511  -1.500
    7    HA   LEU   2           HA       LEU   2   2.073  -6.488  -1.475
    8   1HB   LEU   2          1HB       LEU   2   1.729  -8.604  -0.304
    9   2HB   LEU   2          2HB       LEU   2   3.112  -8.278   0.723
   10    HG   LEU   2           HG       LEU   2   1.052  -6.182   0.784
   11   1HD1  LEU   2          1HD1      LEU   2  -0.627  -7.722   0.759
   12   2HD1  LEU   2          2HD1      LEU   2  -0.216  -7.759   2.472
   13   3HD1  LEU   2          3HD1      LEU   2   0.393  -9.014   1.392
   14   1HD2  LEU   2          1HD2      LEU   2   2.941  -6.150   2.288
   15   2HD2  LEU   2          2HD2      LEU   2   2.532  -7.759   2.886
   16   3HD2  LEU   2          3HD2      LEU   2   1.456  -6.397   3.207
   17    H    GLN   3           H        GLN   3   5.081  -7.043   0.370
   18    HA   GLN   3           HA       GLN   3   5.051  -4.618   1.774
   19   1HB   GLN   3          1HB       GLN   3   6.575  -6.806   1.931
   20   2HB   GLN   3          2HB       GLN   3   7.677  -5.787   1.018
   21   1HG   GLN   3          1HG       GLN   3   8.347  -5.204   3.088
   22   2HG   GLN   3          2HG       GLN   3   7.019  -4.056   2.932
   23   1HE2  GLN   3          1HE2      GLN   3   4.961  -4.646   3.884
   24   2HE2  GLN   3          2HE2      GLN   3   4.933  -5.675   5.275
   25    H    GLU   4           H        GLU   4   6.307  -5.418  -1.421
   26    HA   GLU   4           HA       GLU   4   7.841  -3.125  -1.890
   27   1HB   GLU   4          1HB       GLU   4   6.388  -5.038  -3.694
   28   2HB   GLU   4          2HB       GLU   4   7.198  -3.628  -4.361
   29   1HG   GLU   4          1HG       GLU   4   8.744  -5.366  -4.554
   30   2HG   GLU   4          2HG       GLU   4   9.280  -4.435  -3.157
   31    H    LEU   5           H        LEU   5   4.417  -3.756  -2.674
   32    HA   LEU   5           HA       LEU   5   4.013  -1.037  -3.557
   33   1HB   LEU   5          1HB       LEU   5   2.847  -3.263  -4.335
   34   2HB   LEU   5          2HB       LEU   5   1.755  -2.903  -3.013
   35    HG   LEU   5           HG       LEU   5   1.445  -2.035  -5.570
   36   1HD1  LEU   5          1HD1      LEU   5   0.008  -0.180  -4.323
   37   2HD1  LEU   5          2HD1      LEU   5   0.390  -1.200  -2.936
   38   3HD1  LEU   5          3HD1      LEU   5  -0.445  -1.884  -4.330
   39   1HD2  LEU   5          1HD2      LEU   5   2.542   0.331  -4.065
   40   2HD2  LEU   5          2HD2      LEU   5   1.901   0.312  -5.708
   41   3HD2  LEU   5          3HD2      LEU   5   3.405  -0.530  -5.339
   42    H    LEU   6           H        LEU   6   3.883  -2.675  -0.556
   43    HA   LEU   6           HA       LEU   6   1.830  -1.307   0.775
   44   1HB   LEU   6          1HB       LEU   6   3.686  -3.222   1.410
   45   2HB   LEU   6          2HB       LEU   6   4.150  -1.892   2.437
   46    HG   LEU   6           HG       LEU   6   2.645  -3.456   3.582
   47   1HD1  LEU   6          1HD1      LEU   6   2.610  -1.194   4.343
   48   2HD1  LEU   6          2HD1      LEU   6   0.948  -1.785   4.316
   49   3HD1  LEU   6          3HD1      LEU   6   1.525  -0.714   3.038
   50   1HD2  LEU   6          1HD2      LEU   6   0.552  -2.612   1.586
   51   2HD2  LEU   6          2HD2      LEU   6   0.366  -3.756   2.914
   52   3HD2  LEU   6          3HD2      LEU   6   1.400  -4.157   1.544
   53    H    GLY   7           H        GLY   7   5.343  -0.602   0.726
   54   1HA   GLY   7          1HA       GLY   7   5.236   1.717   2.288
   55   2HA   GLY   7          2HA       GLY   7   6.468   1.366   1.095
   56    H    GLN   8           H        GLN   8   4.629   1.230  -1.137
   57    HA   GLN   8           HA       GLN   8   4.515   4.044  -1.767
   58   1HB   GLN   8          1HB       GLN   8   4.516   1.630  -3.238
   59   2HB   GLN   8          2HB       GLN   8   2.979   2.406  -3.590
   60   1HG   GLN   8          1HG       GLN   8   5.655   3.757  -3.849
   61   2HG   GLN   8          2HG       GLN   8   4.802   2.972  -5.175
   62   1HE2  GLN   8          1HE2      GLN   8   4.920   5.715  -3.062
   63   2HE2  GLN   8          2HE2      GLN   8   3.721   6.659  -3.881
   64    H    TRP   9           H        TRP   9   2.266   1.473  -1.037
   65    HA   TRP   9           HA       TRP   9  -0.170   2.848  -1.312
   66   1HB   TRP   9          1HB       TRP   9   0.093   0.399  -1.225
   67   2HB   TRP   9          2HB       TRP   9   0.601   0.515   0.450
   68    HD1  TRP   9           HD1      TRP   9  -2.486   1.995  -1.365
   69    HE1  TRP   9           HE1      TRP   9  -4.575   1.324  -0.003
   70    HE3  TRP   9           HE3      TRP   9  -0.206  -0.766   2.243
   71    HZ2  TRP   9           HZ2      TRP   9  -5.151  -0.187   2.327
   72    HZ3  TRP   9           HZ3      TRP   9  -1.579  -1.784   4.014
   73    HH2  TRP   9           HH2      TRP   9  -3.998  -1.487   4.049
   74    H    LEU  10           H        LEU  10   2.032   2.333   1.391
   75    HA   LEU  10           HA       LEU  10   0.447   3.560   3.395
   76   1HB   LEU  10          1HB       LEU  10   2.577   2.028   3.538
   77   2HB   LEU  10          2HB       LEU  10   3.433   3.558   3.527
   78    HG   LEU  10           HG       LEU  10   1.231   3.417   5.472
   79   1HD1  LEU  10          1HD1      LEU  10   2.452   2.025   7.053
   80   2HD1  LEU  10          2HD1      LEU  10   3.683   1.699   5.832
   81   3HD1  LEU  10          3HD1      LEU  10   2.035   1.113   5.603
   82   1HD2  LEU  10          1HD2      LEU  10   2.933   4.442   6.910
   83   2HD2  LEU  10          2HD2      LEU  10   2.771   5.295   5.375
   84   3HD2  LEU  10          3HD2      LEU  10   4.137   4.212   5.641
   85    H    LYS  11           H        LYS  11   2.747   4.812   1.057
   86    HA   LYS  11           HA       LYS  11   3.284   7.320   2.146
   87   1HB   LYS  11          1HB       LYS  11   4.187   6.129  -0.009
   88   2HB   LYS  11          2HB       LYS  11   2.875   6.984  -0.806
   89   1HG   LYS  11          1HG       LYS  11   3.786   9.113   0.056
   90   2HG   LYS  11          2HG       LYS  11   5.140   8.217   0.749
   91   1HD   LYS  11          1HD       LYS  11   5.744   7.424  -1.502
   92   2HD   LYS  11          2HD       LYS  11   4.412   8.365  -2.178
   93   1HE   LYS  11          1HE       LYS  11   6.503   9.689  -0.494
   94   2HE   LYS  11          2HE       LYS  11   6.818   9.346  -2.194
   95   1HZ   LYS  11          1HZ       LYS  11   4.834  10.624  -2.767
   96   2HZ   LYS  11          2HZ       LYS  11   5.950  11.570  -1.918
   97   3HZ   LYS  11          3HZ       LYS  11   4.574  10.980  -1.132
   98    H    ASP  12           H        ASP  12   0.457   6.139   0.431
   99    HA   ASP  12           HA       ASP  12  -0.752   8.809   0.457
  100   1HB   ASP  12          1HB       ASP  12  -0.744   7.304  -1.617
  101   2HB   ASP  12          2HB       ASP  12  -1.927   6.311  -0.774
  102    H    GLY  13           H        GLY  13  -0.371   7.279   2.930
  103   1HA   GLY  13          1HA       GLY  13  -1.583   7.062   4.881
  104   2HA   GLY  13          2HA       GLY  13  -3.014   7.574   4.001
  105    H    GLY  14           H        GLY  14  -1.104   4.853   2.910
  106   1HA   GLY  14          1HA       GLY  14  -1.669   2.665   2.570
  107   2HA   GLY  14          2HA       GLY  14  -2.176   2.727   4.249
  108    HA   PRO  15           HA       PRO  15  -6.073   1.268   2.558
  109   1HB   PRO  15          1HB       PRO  15  -6.864   2.103   5.306
  110   2HB   PRO  15          2HB       PRO  15  -7.218   0.611   4.446
  111   1HG   PRO  15          1HG       PRO  15  -5.367   0.656   6.340
  112   2HG   PRO  15          2HG       PRO  15  -5.092  -0.259   4.845
  113   1HD   PRO  15          1HD       PRO  15  -3.978   2.386   5.676
  114   2HD   PRO  15          2HD       PRO  15  -3.201   1.075   4.774
  115    H    SER  16           H        SER  16  -5.814   4.269   4.464
  116    HA   SER  16           HA       SER  16  -8.278   5.351   3.737
  117   1HB   SER  16          1HB       SER  16  -7.537   7.387   4.662
  118   2HB   SER  16          2HB       SER  16  -6.633   6.158   5.544
  119    HG   SER  16           HG       SER  16  -4.963   7.276   4.929
  120    H    SER  17           H        SER  17  -5.287   5.183   1.953
  121    HA   SER  17           HA       SER  17  -5.439   7.237   0.149
  122   1HB   SER  17          1HB       SER  17  -4.088   5.937  -1.321
  123   2HB   SER  17          2HB       SER  17  -3.665   5.411   0.307
  124    HG   SER  17           HG       SER  17  -4.866   3.568   0.011
  125    H    GLY  18           H        GLY  18  -7.277   4.214   0.097
  126   1HA   GLY  18          1HA       GLY  18  -9.613   4.666  -0.833
  127   2HA   GLY  18          2HA       GLY  18  -8.746   5.179  -2.272
  128    H    ARG  19           H        ARG  19  -6.740   3.242  -2.342
  129    HA   ARG  19           HA       ARG  19  -8.265   0.974  -3.315
  130   1HB   ARG  19          1HB       ARG  19  -6.149   0.222  -4.286
  131   2HB   ARG  19          2HB       ARG  19  -6.474   1.896  -4.710
  132   1HG   ARG  19          1HG       ARG  19  -4.837   2.699  -3.212
  133   2HG   ARG  19          2HG       ARG  19  -4.691   1.131  -2.416
  134   1HD   ARG  19          1HD       ARG  19  -2.831   1.104  -3.754
  135   2HD   ARG  19          2HD       ARG  19  -4.004   0.323  -4.812
  136    HE   ARG  19           HE       ARG  19  -4.155   3.010  -5.390
  137   1HH1  ARG  19          1HH1      ARG  19  -1.661   0.556  -5.474
  138   2HH1  ARG  19          2HH1      ARG  19  -0.798   1.303  -6.775
  139   1HH2  ARG  19          1HH2      ARG  19  -3.016   3.990  -7.105
  140   2HH2  ARG  19          2HH2      ARG  19  -1.568   3.252  -7.703
  141    HA   PRO  20           HA       PRO  20  -7.595  -1.615   0.208
  142   1HB   PRO  20          1HB       PRO  20  -7.508  -3.926  -1.604
  143   2HB   PRO  20          2HB       PRO  20  -8.695  -3.522  -0.361
  144   1HG   PRO  20          1HG       PRO  20  -9.271  -3.370  -2.986
  145   2HG   PRO  20          2HG       PRO  20  -9.966  -2.249  -1.802
  146   1HD   PRO  20          1HD       PRO  20  -7.693  -1.826  -3.705
  147   2HD   PRO  20          2HD       PRO  20  -9.012  -0.722  -3.261
  148    HA   PRO  21           HA       PRO  21  -3.333  -2.615   0.799
  149   1HB   PRO  21          1HB       PRO  21  -4.225  -5.334   1.638
  150   2HB   PRO  21          2HB       PRO  21  -3.177  -4.185   2.476
  151   1HG   PRO  21          1HG       PRO  21  -5.708  -4.551   3.240
  152   2HG   PRO  21          2HG       PRO  21  -4.952  -2.949   3.289
  153   1HD   PRO  21          1HD       PRO  21  -6.959  -4.039   1.386
  154   2HD   PRO  21          2HD       PRO  21  -6.729  -2.377   1.957
  155    HA   PRO  22           HA       PRO  22  -2.224  -4.827  -2.907
  156   1HB   PRO  22          1HB       PRO  22   0.461  -4.831  -2.597
  157   2HB   PRO  22          2HB       PRO  22  -0.442  -3.372  -3.016
  158   1HG   PRO  22          1HG       PRO  22   0.602  -4.254  -0.354
  159   2HG   PRO  22          2HG       PRO  22   0.641  -2.642  -1.093
  160   1HD   PRO  22          1HD       PRO  22  -1.192  -3.371   0.781
  161   2HD   PRO  22          2HD       PRO  22  -1.526  -2.176  -0.486
  162    H    SER  23           H        SER  23  -3.312  -6.725  -1.749
  163    HA   SER  23           HA       SER  23  -1.881  -8.621  -0.274
  164   1HB   SER  23          1HB       SER  23  -4.393  -8.525  -0.625
  165   2HB   SER  23          2HB       SER  23  -4.120  -9.277  -2.197
  166    HG   SER  23           HG       SER  23  -4.589 -10.803  -0.532
  Start of MODEL   26
    1    H    ALA   1           H        ALA   1   4.345  -8.467  -5.525
    2    HA   ALA   1           HA       ALA   1   5.525  -9.056  -3.559
    3   1HB   ALA   1          1HB       ALA   1   7.765  -8.474  -4.255
    4   2HB   ALA   1          2HB       ALA   1   7.362  -7.613  -2.769
    5   3HB   ALA   1          3HB       ALA   1   7.334  -6.765  -4.315
    6    H    LEU   2           H        LEU   2   4.032  -8.520  -2.117
    7    HA   LEU   2           HA       LEU   2   2.533  -6.107  -2.273
    8   1HB   LEU   2          1HB       LEU   2   1.319  -6.902  -0.387
    9   2HB   LEU   2          2HB       LEU   2   1.640  -8.267  -1.436
   10    HG   LEU   2           HG       LEU   2   3.744  -8.470   0.255
   11   1HD1  LEU   2          1HD1      LEU   2   3.354  -6.870   1.839
   12   2HD1  LEU   2          2HD1      LEU   2   2.473  -8.222   2.548
   13   3HD1  LEU   2          3HD1      LEU   2   1.602  -6.966   1.668
   14   1HD2  LEU   2          1HD2      LEU   2   2.239 -10.269  -0.356
   15   2HD2  LEU   2          2HD2      LEU   2   0.970  -9.581   0.657
   16   3HD2  LEU   2          3HD2      LEU   2   2.442 -10.215   1.395
   17    H    GLN   3           H        GLN   3   5.333  -7.101  -0.417
   18    HA   GLN   3           HA       GLN   3   5.256  -5.202   1.632
   19   1HB   GLN   3          1HB       GLN   3   6.943  -7.225   0.982
   20   2HB   GLN   3          2HB       GLN   3   7.925  -5.839   0.532
   21   1HG   GLN   3          1HG       GLN   3   6.634  -6.171   3.228
   22   2HG   GLN   3          2HG       GLN   3   8.281  -6.675   2.853
   23   1HE2  GLN   3          1HE2      GLN   3   6.241  -4.087   3.715
   24   2HE2  GLN   3          2HE2      GLN   3   7.432  -2.832   3.693
   25    H    GLU   4           H        GLU   4   6.844  -5.022  -1.558
   26    HA   GLU   4           HA       GLU   4   7.852  -2.409  -1.264
   27   1HB   GLU   4          1HB       GLU   4   7.256  -4.156  -3.632
   28   2HB   GLU   4          2HB       GLU   4   7.749  -2.485  -3.871
   29   1HG   GLU   4          1HG       GLU   4   9.794  -3.414  -3.933
   30   2HG   GLU   4          2HG       GLU   4   9.669  -3.254  -2.183
   31    H    LEU   5           H        LEU   5   4.805  -3.620  -2.628
   32    HA   LEU   5           HA       LEU   5   3.812  -1.133  -3.515
   33   1HB   LEU   5          1HB       LEU   5   2.997  -3.702  -3.772
   34   2HB   LEU   5          2HB       LEU   5   1.855  -3.135  -2.569
   35    HG   LEU   5           HG       LEU   5   2.279  -1.930  -5.306
   36   1HD1  LEU   5          1HD1      LEU   5   0.369  -2.989  -6.011
   37   2HD1  LEU   5          2HD1      LEU   5  -0.258  -3.188  -4.374
   38   3HD1  LEU   5          3HD1      LEU   5   1.057  -4.216  -4.946
   39   1HD2  LEU   5          1HD2      LEU   5   1.664  -0.167  -3.847
   40   2HD2  LEU   5          2HD2      LEU   5   0.465  -1.168  -3.029
   41   3HD2  LEU   5          3HD2      LEU   5   0.194  -0.652  -4.693
   42    H    LEU   6           H        LEU   6   3.668  -2.778  -0.405
   43    HA   LEU   6           HA       LEU   6   1.705  -1.259   0.874
   44   1HB   LEU   6          1HB       LEU   6   3.578  -3.216   1.564
   45   2HB   LEU   6          2HB       LEU   6   3.846  -1.900   2.678
   46    HG   LEU   6           HG       LEU   6   2.296  -3.614   3.556
   47   1HD1  LEU   6          1HD1      LEU   6   2.075  -1.499   4.541
   48   2HD1  LEU   6          2HD1      LEU   6   0.432  -1.982   4.123
   49   3HD1  LEU   6          3HD1      LEU   6   1.292  -0.820   3.113
   50   1HD2  LEU   6          1HD2      LEU   6   1.281  -4.202   1.369
   51   2HD2  LEU   6          2HD2      LEU   6   0.410  -2.669   1.405
   52   3HD2  LEU   6          3HD2      LEU   6   0.095  -3.889   2.637
   53    H    GLY   7           H        GLY   7   5.205  -0.685   0.586
   54   1HA   GLY   7          1HA       GLY   7   5.276   1.604   2.250
   55   2HA   GLY   7          2HA       GLY   7   6.458   1.188   1.028
   56    H    GLN   8           H        GLN   8   4.594   1.133  -1.159
   57    HA   GLN   8           HA       GLN   8   4.575   3.953  -1.791
   58   1HB   GLN   8          1HB       GLN   8   4.604   1.589  -3.277
   59   2HB   GLN   8          2HB       GLN   8   3.011   2.263  -3.585
   60   1HG   GLN   8          1HG       GLN   8   4.450   3.064  -5.278
   61   2HG   GLN   8          2HG       GLN   8   4.132   4.414  -4.192
   62   1HE2  GLN   8          1HE2      GLN   8   5.796   5.336  -3.081
   63   2HE2  GLN   8          2HE2      GLN   8   7.453   4.877  -3.282
   64    H    TRP   9           H        TRP   9   2.263   1.447  -1.037
   65    HA   TRP   9           HA       TRP   9  -0.135   2.894  -1.326
   66   1HB   TRP   9          1HB       TRP   9   0.058   0.431  -1.247
   67   2HB   TRP   9          2HB       TRP   9   0.537   0.533   0.437
   68    HD1  TRP   9           HD1      TRP   9  -2.455   2.157  -1.409
   69    HE1  TRP   9           HE1      TRP   9  -4.594   1.556  -0.095
   70    HE3  TRP   9           HE3      TRP   9  -0.361  -0.770   2.179
   71    HZ2  TRP   9           HZ2      TRP   9  -5.274   0.030   2.198
   72    HZ3  TRP   9           HZ3      TRP   9  -1.805  -1.761   3.907
   73    HH2  TRP   9           HH2      TRP   9  -4.210  -1.357   3.911
   74    H    LEU  10           H        LEU  10   2.060   2.312   1.366
   75    HA   LEU  10           HA       LEU  10   0.512   3.532   3.393
   76   1HB   LEU  10          1HB       LEU  10   2.457   1.993   3.742
   77   2HB   LEU  10          2HB       LEU  10   3.519   3.312   3.288
   78    HG   LEU  10           HG       LEU  10   1.666   4.038   5.427
   79   1HD1  LEU  10          1HD1      LEU  10   2.751   2.726   7.167
   80   2HD1  LEU  10          2HD1      LEU  10   3.694   1.868   5.948
   81   3HD1  LEU  10          3HD1      LEU  10   1.941   1.678   6.001
   82   1HD2  LEU  10          1HD2      LEU  10   3.708   4.908   6.425
   83   2HD2  LEU  10          2HD2      LEU  10   3.589   5.389   4.733
   84   3HD2  LEU  10          3HD2      LEU  10   4.674   4.081   5.202
   85    H    LYS  11           H        LYS  11   2.791   4.819   1.048
   86    HA   LYS  11           HA       LYS  11   3.320   7.317   2.143
   87   1HB   LYS  11          1HB       LYS  11   4.145   6.139  -0.071
   88   2HB   LYS  11          2HB       LYS  11   2.843   7.068  -0.800
   89   1HG   LYS  11          1HG       LYS  11   3.829   9.131  -0.036
   90   2HG   LYS  11          2HG       LYS  11   5.081   8.243   0.837
   91   1HD   LYS  11          1HD       LYS  11   4.722   7.831  -2.105
   92   2HD   LYS  11          2HD       LYS  11   5.602   9.241  -1.513
   93   1HE   LYS  11          1HE       LYS  11   7.026   7.653  -0.176
   94   2HE   LYS  11          2HE       LYS  11   6.248   6.335  -1.052
   95   1HZ   LYS  11          1HZ       LYS  11   7.039   7.382  -3.133
   96   2HZ   LYS  11          2HZ       LYS  11   8.297   6.874  -2.123
   97   3HZ   LYS  11          3HZ       LYS  11   7.897   8.515  -2.213
   98    H    ASP  12           H        ASP  12   0.469   6.140   0.469
   99    HA   ASP  12           HA       ASP  12  -0.776   8.792   0.585
  100   1HB   ASP  12          1HB       ASP  12  -0.789   7.340  -1.527
  101   2HB   ASP  12          2HB       ASP  12  -1.931   6.303  -0.683
  102    H    GLY  13           H        GLY  13  -0.340   7.486   3.050
  103   1HA   GLY  13          1HA       GLY  13  -1.448   7.030   5.006
  104   2HA   GLY  13          2HA       GLY  13  -2.903   7.621   4.220
  105    H    GLY  14           H        GLY  14  -1.087   4.921   2.923
  106   1HA   GLY  14          1HA       GLY  14  -1.697   2.761   2.500
  107   2HA   GLY  14          2HA       GLY  14  -2.204   2.754   4.180
  108    HA   PRO  15           HA       PRO  15  -6.155   1.512   2.457
  109   1HB   PRO  15          1HB       PRO  15  -6.928   2.316   5.219
  110   2HB   PRO  15          2HB       PRO  15  -7.334   0.857   4.325
  111   1HG   PRO  15          1HG       PRO  15  -5.492   0.786   6.226
  112   2HG   PRO  15          2HG       PRO  15  -5.241  -0.100   4.710
  113   1HD   PRO  15          1HD       PRO  15  -4.043   2.486   5.612
  114   2HD   PRO  15          2HD       PRO  15  -3.301   1.167   4.689
  115    H    SER  16           H        SER  16  -5.744   4.475   4.388
  116    HA   SER  16           HA       SER  16  -8.165   5.679   3.801
  117   1HB   SER  16          1HB       SER  16  -7.235   7.708   4.578
  118   2HB   SER  16          2HB       SER  16  -6.350   6.450   5.441
  119    HG   SER  16           HG       SER  16  -5.469   8.265   3.563
  120    H    SER  17           H        SER  17  -5.290   5.413   1.814
  121    HA   SER  17           HA       SER  17  -5.603   7.408  -0.047
  122   1HB   SER  17          1HB       SER  17  -4.340   6.059  -1.572
  123   2HB   SER  17          2HB       SER  17  -3.755   5.683   0.046
  124    HG   SER  17           HG       SER  17  -4.102   3.794  -1.179
  125    H    GLY  18           H        GLY  18  -7.216   4.238  -0.012
  126   1HA   GLY  18          1HA       GLY  18  -9.666   4.566  -0.742
  127   2HA   GLY  18          2HA       GLY  18  -8.929   5.112  -2.243
  128    H    ARG  19           H        ARG  19  -6.820   3.305  -2.437
  129    HA   ARG  19           HA       ARG  19  -8.218   0.971  -3.385
  130   1HB   ARG  19          1HB       ARG  19  -6.050   0.283  -4.275
  131   2HB   ARG  19          2HB       ARG  19  -6.389   1.957  -4.694
  132   1HG   ARG  19          1HG       ARG  19  -4.969   2.614  -2.714
  133   2HG   ARG  19          2HG       ARG  19  -4.476   0.924  -2.617
  134   1HD   ARG  19          1HD       ARG  19  -4.061   2.821  -4.922
  135   2HD   ARG  19          2HD       ARG  19  -2.824   2.147  -3.864
  136    HE   ARG  19           HE       ARG  19  -4.032   0.890  -6.141
  137   1HH1  ARG  19          1HH1      ARG  19  -2.444   0.274  -3.079
  138   2HH1  ARG  19          2HH1      ARG  19  -1.879  -1.293  -3.550
  139   1HH2  ARG  19          1HH2      ARG  19  -3.288  -1.170  -6.753
  140   2HH2  ARG  19          2HH2      ARG  19  -2.357  -2.113  -5.639
  141    HA   PRO  20           HA       PRO  20  -7.605  -1.544   0.215
  142   1HB   PRO  20          1HB       PRO  20  -7.643  -3.895  -1.538
  143   2HB   PRO  20          2HB       PRO  20  -8.807  -3.400  -0.309
  144   1HG   PRO  20          1HG       PRO  20  -9.376  -3.297  -2.940
  145   2HG   PRO  20          2HG       PRO  20 -10.025  -2.117  -1.784
  146   1HD   PRO  20          1HD       PRO  20  -7.723  -1.842  -3.687
  147   2HD   PRO  20          2HD       PRO  20  -9.006  -0.676  -3.293
  148    HA   PRO  21           HA       PRO  21  -3.365  -2.752   0.518
  149   1HB   PRO  21          1HB       PRO  21  -3.520  -5.026   2.044
  150   2HB   PRO  21          2HB       PRO  21  -3.668  -3.391   2.694
  151   1HG   PRO  21          1HG       PRO  21  -5.812  -5.351   1.986
  152   2HG   PRO  21          2HG       PRO  21  -5.697  -4.274   3.391
  153   1HD   PRO  21          1HD       PRO  21  -7.270  -3.702   1.285
  154   2HD   PRO  21          2HD       PRO  21  -6.427  -2.433   2.196
  155    HA   PRO  22           HA       PRO  22  -2.675  -5.881  -2.571
  156   1HB   PRO  22          1HB       PRO  22  -0.004  -5.959  -2.542
  157   2HB   PRO  22          2HB       PRO  22  -0.868  -4.512  -3.073
  158   1HG   PRO  22          1HG       PRO  22   0.445  -5.078  -0.447
  159   2HG   PRO  22          2HG       PRO  22   0.452  -3.587  -1.405
  160   1HD   PRO  22          1HD       PRO  22  -1.199  -4.057   0.762
  161   2HD   PRO  22          2HD       PRO  22  -1.529  -2.879  -0.523
  162    H    SER  23           H        SER  23  -3.521  -7.057  -0.158
  163    HA   SER  23           HA       SER  23  -3.587  -9.082   0.853
  164   1HB   SER  23          1HB       SER  23  -2.927 -10.899  -0.345
  165   2HB   SER  23          2HB       SER  23  -2.674  -9.700  -1.610
  166    HG   SER  23           HG       SER  23  -0.539  -9.818  -1.324
  Start of MODEL   27
    1    H    ALA   1           H        ALA   1   6.724  -4.820  -5.650
    2    HA   ALA   1           HA       ALA   1   5.950  -7.654  -5.443
    3   1HB   ALA   1          1HB       ALA   1   7.445  -7.775  -3.580
    4   2HB   ALA   1          2HB       ALA   1   7.789  -6.047  -3.677
    5   3HB   ALA   1          3HB       ALA   1   8.339  -7.130  -4.957
    6    H    LEU   2           H        LEU   2   4.898  -8.163  -3.399
    7    HA   LEU   2           HA       LEU   2   2.736  -6.443  -2.832
    8   1HB   LEU   2          1HB       LEU   2   3.770  -9.001  -1.746
    9   2HB   LEU   2          2HB       LEU   2   2.711  -8.079  -0.696
   10    HG   LEU   2           HG       LEU   2   1.071  -8.034  -2.667
   11   1HD1  LEU   2          1HD1      LEU   2   1.316  -9.970  -4.205
   12   2HD1  LEU   2          2HD1      LEU   2   2.951 -10.201  -3.586
   13   3HD1  LEU   2          3HD1      LEU   2   2.532  -8.715  -4.439
   14   1HD2  LEU   2          1HD2      LEU   2   1.701 -10.678  -1.359
   15   2HD2  LEU   2          2HD2      LEU   2   0.156 -10.198  -2.062
   16   3HD2  LEU   2          3HD2      LEU   2   0.768  -9.372  -0.629
   17    H    GLN   3           H        GLN   3   5.696  -7.182  -0.997
   18    HA   GLN   3           HA       GLN   3   5.136  -5.560   1.232
   19   1HB   GLN   3          1HB       GLN   3   7.155  -7.292   0.526
   20   2HB   GLN   3          2HB       GLN   3   7.974  -5.736   0.510
   21   1HG   GLN   3          1HG       GLN   3   7.426  -5.330   2.783
   22   2HG   GLN   3          2HG       GLN   3   6.326  -6.707   2.828
   23   1HE2  GLN   3          1HE2      GLN   3   7.219  -8.830   2.754
   24   2HE2  GLN   3          2HE2      GLN   3   8.842  -9.118   3.278
   25    H    GLU   4           H        GLU   4   6.823  -4.872  -1.812
   26    HA   GLU   4           HA       GLU   4   7.617  -2.235  -1.160
   27   1HB   GLU   4          1HB       GLU   4   7.163  -3.583  -3.827
   28   2HB   GLU   4          2HB       GLU   4   7.832  -1.966  -3.657
   29   1HG   GLU   4          1HG       GLU   4   9.698  -2.891  -2.359
   30   2HG   GLU   4          2HG       GLU   4   9.036  -4.508  -2.585
   31    H    LEU   5           H        LEU   5   4.715  -3.571  -2.674
   32    HA   LEU   5           HA       LEU   5   3.542  -1.138  -3.471
   33   1HB   LEU   5          1HB       LEU   5   2.886  -3.528  -4.115
   34   2HB   LEU   5          2HB       LEU   5   1.997  -3.571  -2.607
   35    HG   LEU   5           HG       LEU   5   1.487  -1.392  -4.605
   36   1HD1  LEU   5          1HD1      LEU   5  -0.107  -3.922  -4.601
   37   2HD1  LEU   5          2HD1      LEU   5   1.344  -3.778  -5.594
   38   3HD1  LEU   5          3HD1      LEU   5  -0.002  -2.665  -5.834
   39   1HD2  LEU   5          1HD2      LEU   5  -0.764  -2.476  -3.157
   40   2HD2  LEU   5          2HD2      LEU   5  -0.154  -0.823  -3.216
   41   3HD2  LEU   5          3HD2      LEU   5   0.519  -1.970  -2.059
   42    H    LEU   6           H        LEU   6   3.489  -2.899  -0.413
   43    HA   LEU   6           HA       LEU   6   1.430  -1.493   0.874
   44   1HB   LEU   6          1HB       LEU   6   2.836  -3.585   1.541
   45   2HB   LEU   6          2HB       LEU   6   3.837  -2.425   2.373
   46    HG   LEU   6           HG       LEU   6   2.250  -3.422   3.913
   47   1HD1  LEU   6          1HD1      LEU   6   1.473  -1.476   4.941
   48   2HD1  LEU   6          2HD1      LEU   6   1.252  -0.641   3.405
   49   3HD1  LEU   6          3HD1      LEU   6   2.877  -0.947   4.014
   50   1HD2  LEU   6          1HD2      LEU   6   0.126  -2.366   2.054
   51   2HD2  LEU   6          2HD2      LEU   6  -0.166  -3.068   3.645
   52   3HD2  LEU   6          3HD2      LEU   6   0.511  -4.061   2.355
   53    H    GLY   7           H        GLY   7   4.954  -0.930   0.902
   54   1HA   GLY   7          1HA       GLY   7   4.885   1.364   2.539
   55   2HA   GLY   7          2HA       GLY   7   6.162   0.957   1.412
   56    H    GLN   8           H        GLN   8   4.282   0.872  -0.860
   57    HA   GLN   8           HA       GLN   8   4.387   3.687  -1.542
   58   1HB   GLN   8          1HB       GLN   8   4.197   1.216  -2.969
   59   2HB   GLN   8          2HB       GLN   8   2.811   2.201  -3.416
   60   1HG   GLN   8          1HG       GLN   8   4.628   2.576  -4.951
   61   2HG   GLN   8          2HG       GLN   8   4.321   4.036  -4.014
   62   1HE2  GLN   8          1HE2      GLN   8   5.915   4.873  -2.769
   63   2HE2  GLN   8          2HE2      GLN   8   7.500   4.192  -2.635
   64    H    TRP   9           H        TRP   9   2.015   1.262  -0.749
   65    HA   TRP   9           HA       TRP   9  -0.352   2.743  -1.110
   66   1HB   TRP   9          1HB       TRP   9  -0.237   0.289  -0.949
   67   2HB   TRP   9          2HB       TRP   9   0.289   0.420   0.720
   68    HD1  TRP   9           HD1      TRP   9  -2.723   1.921  -1.190
   69    HE1  TRP   9           HE1      TRP   9  -4.839   1.478   0.223
   70    HE3  TRP   9           HE3      TRP   9  -0.571  -0.600   2.666
   71    HZ2  TRP   9           HZ2      TRP   9  -5.479   0.217   2.677
   72    HZ3  TRP   9           HZ3      TRP   9  -1.987  -1.382   4.519
   73    HH2  TRP   9           HH2      TRP   9  -4.392  -0.968   4.517
   74    H    LEU  10           H        LEU  10   1.768   2.152   1.653
   75    HA   LEU  10           HA       LEU  10   0.227   3.562   3.573
   76   1HB   LEU  10          1HB       LEU  10   2.496   1.979   3.618
   77   2HB   LEU  10          2HB       LEU  10   3.099   3.560   4.077
   78    HG   LEU  10           HG       LEU  10   1.289   3.619   5.843
   79   1HD1  LEU  10          1HD1      LEU  10   0.071   1.731   6.403
   80   2HD1  LEU  10          2HD1      LEU  10   1.146   0.649   5.519
   81   3HD1  LEU  10          3HD1      LEU  10   0.036   1.701   4.641
   82   1HD2  LEU  10          1HD2      LEU  10   3.370   1.443   6.022
   83   2HD2  LEU  10          2HD2      LEU  10   2.541   2.194   7.386
   84   3HD2  LEU  10          3HD2      LEU  10   3.621   3.154   6.375
   85    H    LYS  11           H        LYS  11   2.664   4.555   1.256
   86    HA   LYS  11           HA       LYS  11   3.337   7.061   2.307
   87   1HB   LYS  11          1HB       LYS  11   4.353   5.770   0.309
   88   2HB   LYS  11          2HB       LYS  11   3.095   6.542  -0.647
   89   1HG   LYS  11          1HG       LYS  11   4.488   8.464   0.997
   90   2HG   LYS  11          2HG       LYS  11   5.603   7.563  -0.031
   91   1HD   LYS  11          1HD       LYS  11   4.210   8.110  -1.986
   92   2HD   LYS  11          2HD       LYS  11   3.140   9.051  -0.944
   93   1HE   LYS  11          1HE       LYS  11   6.079   9.632  -1.070
   94   2HE   LYS  11          2HE       LYS  11   4.975  10.279  -2.283
   95   1HZ   LYS  11          1HZ       LYS  11   4.822  10.734   0.649
   96   2HZ   LYS  11          2HZ       LYS  11   3.695  11.302  -0.476
   97   3HZ   LYS  11          3HZ       LYS  11   5.288  11.865  -0.519
   98    H    ASP  12           H        ASP  12   0.549   5.986   0.473
   99    HA   ASP  12           HA       ASP  12  -0.483   8.722   0.298
  100   1HB   ASP  12          1HB       ASP  12  -0.467   6.960  -1.641
  101   2HB   ASP  12          2HB       ASP  12  -1.888   6.316  -0.827
  102    H    GLY  13           H        GLY  13  -0.333   7.609   2.885
  103   1HA   GLY  13          1HA       GLY  13  -1.629   7.492   4.776
  104   2HA   GLY  13          2HA       GLY  13  -2.993   8.001   3.794
  105    H    GLY  14           H        GLY  14  -1.121   5.110   3.098
  106   1HA   GLY  14          1HA       GLY  14  -1.779   2.930   2.869
  107   2HA   GLY  14          2HA       GLY  14  -2.393   3.151   4.499
  108    HA   PRO  15           HA       PRO  15  -6.250   1.756   2.652
  109   1HB   PRO  15          1HB       PRO  15  -7.165   2.844   5.269
  110   2HB   PRO  15          2HB       PRO  15  -7.551   1.309   4.502
  111   1HG   PRO  15          1HG       PRO  15  -5.829   1.401   6.511
  112   2HG   PRO  15          2HG       PRO  15  -5.502   0.366   5.108
  113   1HD   PRO  15          1HD       PRO  15  -4.314   3.018   5.821
  114   2HD   PRO  15          2HD       PRO  15  -3.541   1.602   5.085
  115    H    SER  16           H        SER  16  -5.848   4.882   4.279
  116    HA   SER  16           HA       SER  16  -8.201   6.086   3.443
  117   1HB   SER  16          1HB       SER  16  -5.524   7.441   3.853
  118   2HB   SER  16          2HB       SER  16  -7.102   8.227   3.883
  119    HG   SER  16           HG       SER  16  -5.843   6.709   5.808
  120    H    SER  17           H        SER  17  -5.286   5.433   1.644
  121    HA   SER  17           HA       SER  17  -5.345   7.272  -0.399
  122   1HB   SER  17          1HB       SER  17  -4.140   5.676  -1.739
  123   2HB   SER  17          2HB       SER  17  -3.630   5.464  -0.066
  124    HG   SER  17           HG       SER  17  -4.723   3.671  -1.718
  125    H    GLY  18           H        GLY  18  -7.263   4.295  -0.112
  126   1HA   GLY  18          1HA       GLY  18  -9.618   4.792  -1.049
  127   2HA   GLY  18          2HA       GLY  18  -8.737   5.030  -2.551
  128    H    ARG  19           H        ARG  19  -6.900   2.995  -2.474
  129    HA   ARG  19           HA       ARG  19  -8.619   0.676  -2.900
  130   1HB   ARG  19          1HB       ARG  19  -6.696  -0.281  -4.081
  131   2HB   ARG  19          2HB       ARG  19  -7.091   1.315  -4.700
  132   1HG   ARG  19          1HG       ARG  19  -5.111   2.174  -4.101
  133   2HG   ARG  19          2HG       ARG  19  -5.093   1.319  -2.558
  134   1HD   ARG  19          1HD       ARG  19  -3.307   0.386  -3.726
  135   2HD   ARG  19          2HD       ARG  19  -4.609  -0.780  -3.954
  136    HE   ARG  19           HE       ARG  19  -4.814   0.854  -6.117
  137   1HH1  ARG  19          1HH1      ARG  19  -2.197  -1.027  -4.745
  138   2HH1  ARG  19          2HH1      ARG  19  -1.423  -1.286  -6.271
  139   1HH2  ARG  19          1HH2      ARG  19  -3.789   0.505  -8.123
  140   2HH2  ARG  19          2HH2      ARG  19  -2.324  -0.417  -8.188
  141    HA   PRO  20           HA       PRO  20  -7.197  -1.530   0.660
  142   1HB   PRO  20          1HB       PRO  20  -7.307  -4.092  -0.161
  143   2HB   PRO  20          2HB       PRO  20  -8.766  -3.120   0.064
  144   1HG   PRO  20          1HG       PRO  20  -7.303  -3.788  -2.461
  145   2HG   PRO  20          2HG       PRO  20  -9.049  -3.770  -2.150
  146   1HD   PRO  20          1HD       PRO  20  -7.718  -1.738  -3.398
  147   2HD   PRO  20          2HD       PRO  20  -9.205  -1.503  -2.459
  148    HA   PRO  21           HA       PRO  21  -2.879  -2.469   0.565
  149   1HB   PRO  21          1HB       PRO  21  -2.671  -4.716   2.116
  150   2HB   PRO  21          2HB       PRO  21  -2.903  -3.090   2.762
  151   1HG   PRO  21          1HG       PRO  21  -4.915  -5.253   2.306
  152   2HG   PRO  21          2HG       PRO  21  -4.762  -4.136   3.675
  153   1HD   PRO  21          1HD       PRO  21  -6.583  -3.770   1.721
  154   2HD   PRO  21          2HD       PRO  21  -5.795  -2.409   2.544
  155    HA   PRO  22           HA       PRO  22  -1.953  -5.416  -2.591
  156   1HB   PRO  22          1HB       PRO  22   0.630  -6.053  -1.978
  157   2HB   PRO  22          2HB       PRO  22   0.153  -4.535  -2.745
  158   1HG   PRO  22          1HG       PRO  22   0.765  -5.096   0.128
  159   2HG   PRO  22          2HG       PRO  22   1.227  -3.702  -0.864
  160   1HD   PRO  22          1HD       PRO  22  -0.819  -3.610   0.897
  161   2HD   PRO  22          2HD       PRO  22  -0.830  -2.685  -0.617
  162    H    SER  23           H        SER  23  -1.066  -6.353   0.694
  163    HA   SER  23           HA       SER  23  -1.226  -9.176   0.016
  164   1HB   SER  23          1HB       SER  23   0.550  -8.088   1.569
  165   2HB   SER  23          2HB       SER  23  -0.727  -8.116   2.785
  166    HG   SER  23           HG       SER  23   0.669 -10.223   1.612
  Start of MODEL   28
    1    H    ALA   1           H        ALA   1   4.778  -8.699  -5.442
    2    HA   ALA   1           HA       ALA   1   6.350  -7.231  -4.451
    3   1HB   ALA   1          1HB       ALA   1   5.371  -5.392  -6.598
    4   2HB   ALA   1          2HB       ALA   1   7.024  -5.755  -6.102
    5   3HB   ALA   1          3HB       ALA   1   6.000  -4.740  -5.085
    6    H    LEU   2           H        LEU   2   4.825  -8.058  -2.910
    7    HA   LEU   2           HA       LEU   2   2.351  -6.602  -2.489
    8   1HB   LEU   2          1HB       LEU   2   3.589  -8.753  -0.770
    9   2HB   LEU   2          2HB       LEU   2   1.939  -8.170  -0.691
   10    HG   LEU   2           HG       LEU   2   3.073  -9.552  -3.119
   11   1HD1  LEU   2          1HD1      LEU   2   1.918 -11.563  -2.336
   12   2HD1  LEU   2          2HD1      LEU   2   1.513 -10.741  -0.829
   13   3HD1  LEU   2          3HD1      LEU   2   3.200 -11.072  -1.228
   14   1HD2  LEU   2          1HD2      LEU   2   0.197  -9.302  -2.296
   15   2HD2  LEU   2          2HD2      LEU   2   0.865  -9.699  -3.880
   16   3HD2  LEU   2          3HD2      LEU   2   1.001  -8.056  -3.252
   17    H    GLN   3           H        GLN   3   5.306  -7.241  -0.588
   18    HA   GLN   3           HA       GLN   3   4.668  -5.358   1.447
   19   1HB   GLN   3          1HB       GLN   3   6.508  -7.383   1.183
   20   2HB   GLN   3          2HB       GLN   3   7.520  -5.948   1.084
   21   1HG   GLN   3          1HG       GLN   3   6.304  -5.181   3.204
   22   2HG   GLN   3          2HG       GLN   3   5.763  -6.854   3.334
   23   1HE2  GLN   3          1HE2      GLN   3   7.278  -8.478   3.750
   24   2HE2  GLN   3          2HE2      GLN   3   8.856  -8.120   4.361
   25    H    GLU   4           H        GLU   4   6.597  -5.211  -1.512
   26    HA   GLU   4           HA       GLU   4   7.801  -2.705  -1.079
   27   1HB   GLU   4          1HB       GLU   4   7.060  -4.113  -3.647
   28   2HB   GLU   4          2HB       GLU   4   8.032  -2.649  -3.577
   29   1HG   GLU   4          1HG       GLU   4   9.870  -3.734  -2.848
   30   2HG   GLU   4          2HG       GLU   4   8.944  -4.904  -1.909
   31    H    LEU   5           H        LEU   5   4.740  -3.603  -2.645
   32    HA   LEU   5           HA       LEU   5   4.012  -0.988  -3.437
   33   1HB   LEU   5          1HB       LEU   5   3.014  -3.064  -4.351
   34   2HB   LEU   5          2HB       LEU   5   2.206  -3.325  -2.819
   35    HG   LEU   5           HG       LEU   5   0.739  -1.517  -3.142
   36   1HD1  LEU   5          1HD1      LEU   5   2.478  -0.616  -5.435
   37   2HD1  LEU   5          2HD1      LEU   5   2.381   0.142  -3.846
   38   3HD1  LEU   5          3HD1      LEU   5   0.976   0.145  -4.912
   39   1HD2  LEU   5          1HD2      LEU   5   0.548  -3.576  -4.714
   40   2HD2  LEU   5          2HD2      LEU   5   0.995  -2.428  -5.976
   41   3HD2  LEU   5          3HD2      LEU   5  -0.455  -2.156  -5.011
   42    H    LEU   6           H        LEU   6   3.698  -2.732  -0.429
   43    HA   LEU   6           HA       LEU   6   1.700  -1.279   0.857
   44   1HB   LEU   6          1HB       LEU   6   3.311  -3.309   1.526
   45   2HB   LEU   6          2HB       LEU   6   4.049  -2.045   2.473
   46    HG   LEU   6           HG       LEU   6   2.462  -3.277   3.827
   47   1HD1  LEU   6          1HD1      LEU   6   1.101  -1.444   4.634
   48   2HD1  LEU   6          2HD1      LEU   6   1.370  -0.554   3.135
   49   3HD1  LEU   6          3HD1      LEU   6   2.718  -0.869   4.227
   50   1HD2  LEU   6          1HD2      LEU   6   1.028  -4.056   1.975
   51   2HD2  LEU   6          2HD2      LEU   6   0.354  -2.431   1.847
   52   3HD2  LEU   6          3HD2      LEU   6   0.108  -3.373   3.316
   53    H    GLY   7           H        GLY   7   5.205  -0.637   0.707
   54   1HA   GLY   7          1HA       GLY   7   5.173   1.651   2.364
   55   2HA   GLY   7          2HA       GLY   7   6.401   1.269   1.173
   56    H    GLN   8           H        GLN   8   4.467   1.158  -1.022
   57    HA   GLN   8           HA       GLN   8   4.434   3.992  -1.656
   58   1HB   GLN   8          1HB       GLN   8   4.644   1.738  -3.195
   59   2HB   GLN   8          2HB       GLN   8   2.948   2.141  -3.418
   60   1HG   GLN   8          1HG       GLN   8   5.295   3.947  -3.963
   61   2HG   GLN   8          2HG       GLN   8   4.304   3.122  -5.165
   62   1HE2  GLN   8          1HE2      GLN   8   4.601   5.838  -3.094
   63   2HE2  GLN   8          2HE2      GLN   8   3.133   6.630  -3.554
   64    H    TRP   9           H        TRP   9   2.206   1.434  -0.872
   65    HA   TRP   9           HA       TRP   9  -0.245   2.783  -1.186
   66   1HB   TRP   9          1HB       TRP   9   0.082   0.318  -0.999
   67   2HB   TRP   9          2HB       TRP   9   0.483   0.534   0.696
   68    HD1  TRP   9           HD1      TRP   9  -2.486   1.940  -1.354
   69    HE1  TRP   9           HE1      TRP   9  -4.653   1.320  -0.103
   70    HE3  TRP   9           HE3      TRP   9  -0.444  -0.716   2.467
   71    HZ2  TRP   9           HZ2      TRP   9  -5.378  -0.111   2.237
   72    HZ3  TRP   9           HZ3      TRP   9  -1.925  -1.667   4.186
   73    HH2  TRP   9           HH2      TRP   9  -4.341  -1.358   4.067
   74    H    LEU  10           H        LEU  10   2.003   2.387   1.488
   75    HA   LEU  10           HA       LEU  10   0.418   3.700   3.456
   76   1HB   LEU  10          1HB       LEU  10   2.313   2.102   3.888
   77   2HB   LEU  10          2HB       LEU  10   3.417   3.385   3.432
   78    HG   LEU  10           HG       LEU  10   2.051   4.689   5.327
   79   1HD1  LEU  10          1HD1      LEU  10   0.567   2.802   5.793
   80   2HD1  LEU  10          2HD1      LEU  10   1.561   3.208   7.193
   81   3HD1  LEU  10          3HD1      LEU  10   1.964   1.806   6.203
   82   1HD2  LEU  10          1HD2      LEU  10   4.472   4.393   5.237
   83   2HD2  LEU  10          2HD2      LEU  10   4.299   2.747   5.846
   84   3HD2  LEU  10          3HD2      LEU  10   3.857   4.116   6.866
   85    H    LYS  11           H        LYS  11   2.868   4.774   1.157
   86    HA   LYS  11           HA       LYS  11   3.423   7.312   2.133
   87   1HB   LYS  11          1HB       LYS  11   4.312   5.973   0.028
   88   2HB   LYS  11          2HB       LYS  11   3.104   6.932  -0.815
   89   1HG   LYS  11          1HG       LYS  11   4.960   8.252  -1.038
   90   2HG   LYS  11          2HG       LYS  11   4.240   8.929   0.423
   91   1HD   LYS  11          1HD       LYS  11   5.765   7.716   1.815
   92   2HD   LYS  11          2HD       LYS  11   6.383   6.808   0.434
   93   1HE   LYS  11          1HE       LYS  11   6.549   9.787   0.414
   94   2HE   LYS  11          2HE       LYS  11   7.697   8.870   1.388
   95   1HZ   LYS  11          1HZ       LYS  11   7.247   8.537  -1.530
   96   2HZ   LYS  11          2HZ       LYS  11   8.345   7.648  -0.598
   97   3HZ   LYS  11          3HZ       LYS  11   8.571   9.310  -0.815
   98    H    ASP  12           H        ASP  12   0.777   6.254   0.017
   99    HA   ASP  12           HA       ASP  12  -0.371   8.853  -0.263
  100   1HB   ASP  12          1HB       ASP  12  -0.656   6.782  -1.790
  101   2HB   ASP  12          2HB       ASP  12  -1.883   6.274  -0.636
  102    H    GLY  13           H        GLY  13  -0.884   6.117   1.896
  103   1HA   GLY  13          1HA       GLY  13  -1.580   7.044   4.195
  104   2HA   GLY  13          2HA       GLY  13  -2.992   7.608   3.314
  105    H    GLY  14           H        GLY  14  -1.228   4.535   3.057
  106   1HA   GLY  14          1HA       GLY  14  -2.010   2.386   2.978
  107   2HA   GLY  14          2HA       GLY  14  -2.656   2.821   4.550
  108    HA   PRO  15           HA       PRO  15  -6.407   1.258   2.522
  109   1HB   PRO  15          1HB       PRO  15  -7.349   2.148   5.205
  110   2HB   PRO  15          2HB       PRO  15  -7.697   0.658   4.338
  111   1HG   PRO  15          1HG       PRO  15  -5.972   0.665   6.351
  112   2HG   PRO  15          2HG       PRO  15  -5.632  -0.280   4.888
  113   1HD   PRO  15          1HD       PRO  15  -4.470   2.334   5.761
  114   2HD   PRO  15          2HD       PRO  15  -3.697   0.987   4.912
  115    H    SER  16           H        SER  16  -6.159   4.246   4.436
  116    HA   SER  16           HA       SER  16  -8.518   5.427   3.481
  117   1HB   SER  16          1HB       SER  16  -7.055   6.092   5.508
  118   2HB   SER  16          2HB       SER  16  -6.126   7.038   4.344
  119    HG   SER  16           HG       SER  16  -8.673   7.453   5.346
  120    H    SER  17           H        SER  17  -5.379   5.121   2.032
  121    HA   SER  17           HA       SER  17  -5.206   7.287   0.337
  122   1HB   SER  17          1HB       SER  17  -3.726   6.000  -1.003
  123   2HB   SER  17          2HB       SER  17  -3.535   5.386   0.638
  124    HG   SER  17           HG       SER  17  -4.765   3.611   0.097
  125    H    GLY  18           H        GLY  18  -7.266   4.454   0.045
  126   1HA   GLY  18          1HA       GLY  18  -9.398   4.877  -1.145
  127   2HA   GLY  18          2HA       GLY  18  -8.432   5.622  -2.409
  128    H    ARG  19           H        ARG  19  -7.296   2.720  -0.840
  129    HA   ARG  19           HA       ARG  19  -8.428   0.910  -2.758
  130   1HB   ARG  19          1HB       ARG  19  -6.229   0.202  -3.703
  131   2HB   ARG  19          2HB       ARG  19  -6.720   1.818  -4.188
  132   1HG   ARG  19          1HG       ARG  19  -5.257   2.592  -2.194
  133   2HG   ARG  19          2HG       ARG  19  -4.541   0.985  -2.324
  134   1HD   ARG  19          1HD       ARG  19  -4.458   1.701  -4.900
  135   2HD   ARG  19          2HD       ARG  19  -4.379   3.298  -4.163
  136    HE   ARG  19           HE       ARG  19  -2.477   1.138  -3.516
  137   1HH1  ARG  19          1HH1      ARG  19  -3.121   4.509  -4.268
  138   2HH1  ARG  19          2HH1      ARG  19  -1.467   4.981  -4.097
  139   1HH2  ARG  19          1HH2      ARG  19  -0.308   1.781  -3.297
  140   2HH2  ARG  19          2HH2      ARG  19   0.127   3.440  -3.547
  141    HA   PRO  20           HA       PRO  20  -7.597  -1.886   0.562
  142   1HB   PRO  20          1HB       PRO  20  -7.596  -4.263  -0.737
  143   2HB   PRO  20          2HB       PRO  20  -9.070  -3.329  -0.464
  144   1HG   PRO  20          1HG       PRO  20  -7.375  -3.512  -2.925
  145   2HG   PRO  20          2HG       PRO  20  -9.142  -3.532  -2.779
  146   1HD   PRO  20          1HD       PRO  20  -7.749  -1.316  -3.496
  147   2HD   PRO  20          2HD       PRO  20  -9.278  -1.243  -2.597
  148    HA   PRO  21           HA       PRO  21  -3.276  -2.664   1.051
  149   1HB   PRO  21          1HB       PRO  21  -4.030  -5.408   1.929
  150   2HB   PRO  21          2HB       PRO  21  -3.020  -4.202   2.733
  151   1HG   PRO  21          1HG       PRO  21  -5.533  -4.698   3.533
  152   2HG   PRO  21          2HG       PRO  21  -4.829  -3.075   3.608
  153   1HD   PRO  21          1HD       PRO  21  -6.854  -4.174   1.742
  154   2HD   PRO  21          2HD       PRO  21  -6.618  -2.509   2.302
  155    HA   PRO  22           HA       PRO  22  -2.153  -4.795  -2.684
  156   1HB   PRO  22          1HB       PRO  22   0.546  -4.817  -2.324
  157   2HB   PRO  22          2HB       PRO  22  -0.358  -3.388  -2.837
  158   1HG   PRO  22          1HG       PRO  22   0.666  -4.110  -0.127
  159   2HG   PRO  22          2HG       PRO  22   0.645  -2.532  -0.935
  160   1HD   PRO  22          1HD       PRO  22  -1.160  -3.251   0.966
  161   2HD   PRO  22          2HD       PRO  22  -1.541  -2.125  -0.348
  162    H    SER  23           H        SER  23  -0.738  -5.837   0.383
  163    HA   SER  23           HA       SER  23  -0.134  -8.473  -0.616
  164   1HB   SER  23          1HB       SER  23   1.137  -7.139   1.223
  165   2HB   SER  23          2HB       SER  23  -0.122  -7.743   2.299
  166    HG   SER  23           HG       SER  23   0.601  -9.756   2.048
  Start of MODEL   29
    1    H    ALA   1           H        ALA   1   5.022  -7.233  -4.909
    2    HA   ALA   1           HA       ALA   1   4.829  -9.275  -2.798
    3   1HB   ALA   1          1HB       ALA   1   7.078  -8.957  -2.900
    4   2HB   ALA   1          2HB       ALA   1   6.656  -7.584  -1.878
    5   3HB   ALA   1          3HB       ALA   1   6.936  -7.347  -3.603
    6    H    LEU   2           H        LEU   2   3.937  -8.624  -0.888
    7    HA   LEU   2           HA       LEU   2   2.095  -6.462  -0.952
    8   1HB   LEU   2          1HB       LEU   2   3.029  -8.310   1.229
    9   2HB   LEU   2          2HB       LEU   2   1.893  -7.013   1.548
   10    HG   LEU   2           HG       LEU   2   1.357  -9.091  -0.558
   11   1HD1  LEU   2          1HD1      LEU   2   0.569  -9.210   2.349
   12   2HD1  LEU   2          2HD1      LEU   2   1.751 -10.253   1.557
   13   3HD1  LEU   2          3HD1      LEU   2   0.054 -10.324   1.081
   14   1HD2  LEU   2          1HD2      LEU   2   0.009  -7.079  -0.669
   15   2HD2  LEU   2          2HD2      LEU   2  -0.416  -7.242   1.034
   16   3HD2  LEU   2          3HD2      LEU   2  -0.976  -8.440  -0.134
   17    H    GLN   3           H        GLN   3   5.120  -6.972   0.867
   18    HA   GLN   3           HA       GLN   3   5.130  -4.489   2.186
   19   1HB   GLN   3          1HB       GLN   3   6.528  -6.529   2.731
   20   2HB   GLN   3          2HB       GLN   3   7.582  -6.063   1.405
   21   1HG   GLN   3          1HG       GLN   3   7.038  -3.921   3.325
   22   2HG   GLN   3          2HG       GLN   3   7.897  -5.308   3.994
   23   1HE2  GLN   3          1HE2      GLN   3   8.137  -2.477   2.145
   24   2HE2  GLN   3          2HE2      GLN   3   9.784  -2.654   1.647
   25    H    GLU   4           H        GLU   4   6.497  -5.474  -0.934
   26    HA   GLU   4           HA       GLU   4   7.997  -3.188  -1.492
   27   1HB   GLU   4          1HB       GLU   4   6.890  -5.430  -3.024
   28   2HB   GLU   4          2HB       GLU   4   7.085  -3.959  -3.966
   29   1HG   GLU   4          1HG       GLU   4   9.059  -5.266  -4.202
   30   2HG   GLU   4          2HG       GLU   4   9.448  -3.858  -3.216
   31    H    LEU   5           H        LEU   5   4.629  -3.916  -2.407
   32    HA   LEU   5           HA       LEU   5   4.204  -1.298  -3.506
   33   1HB   LEU   5          1HB       LEU   5   3.050  -3.535  -4.117
   34   2HB   LEU   5          2HB       LEU   5   2.017  -3.198  -2.743
   35    HG   LEU   5           HG       LEU   5   2.340  -1.091  -4.831
   36   1HD1  LEU   5          1HD1      LEU   5   0.492  -3.457  -5.097
   37   2HD1  LEU   5          2HD1      LEU   5   1.926  -3.165  -6.081
   38   3HD1  LEU   5          3HD1      LEU   5   0.559  -2.052  -6.162
   39   1HD2  LEU   5          1HD2      LEU   5  -0.319  -1.447  -3.977
   40   2HD2  LEU   5          2HD2      LEU   5   0.792  -0.143  -3.554
   41   3HD2  LEU   5          3HD2      LEU   5   0.696  -1.583  -2.540
   42    H    LEU   6           H        LEU   6   3.845  -2.756  -0.374
   43    HA   LEU   6           HA       LEU   6   1.887  -1.203   0.818
   44   1HB   LEU   6          1HB       LEU   6   3.835  -3.017   1.636
   45   2HB   LEU   6          2HB       LEU   6   4.100  -1.601   2.618
   46    HG   LEU   6           HG       LEU   6   2.614  -3.304   3.665
   47   1HD1  LEU   6          1HD1      LEU   6   0.810  -1.654   4.277
   48   2HD1  LEU   6          2HD1      LEU   6   1.543  -0.551   3.113
   49   3HD1  LEU   6          3HD1      LEU   6   2.470  -1.104   4.507
   50   1HD2  LEU   6          1HD2      LEU   6   0.719  -2.510   1.455
   51   2HD2  LEU   6          2HD2      LEU   6   0.303  -3.490   2.860
   52   3HD2  LEU   6          3HD2      LEU   6   1.461  -4.094   1.676
   53    H    GLY   7           H        GLY   7   5.347  -0.465   0.417
   54   1HA   GLY   7          1HA       GLY   7   5.356   1.923   1.911
   55   2HA   GLY   7          2HA       GLY   7   6.485   1.519   0.633
   56    H    GLN   8           H        GLN   8   4.415   1.217  -1.385
   57    HA   GLN   8           HA       GLN   8   4.184   4.002  -2.152
   58   1HB   GLN   8          1HB       GLN   8   3.742   1.371  -3.439
   59   2HB   GLN   8          2HB       GLN   8   2.691   2.665  -3.998
   60   1HG   GLN   8          1HG       GLN   8   4.711   2.418  -5.368
   61   2HG   GLN   8          2HG       GLN   8   4.589   4.007  -4.615
   62   1HE2  GLN   8          1HE2      GLN   8   6.209   4.703  -3.346
   63   2HE2  GLN   8          2HE2      GLN   8   7.591   3.760  -2.908
   64    H    TRP   9           H        TRP   9   2.120   1.385  -1.112
   65    HA   TRP   9           HA       TRP   9  -0.393   2.655  -1.300
   66   1HB   TRP   9          1HB       TRP   9   0.016   0.210  -1.103
   67   2HB   TRP   9          2HB       TRP   9   0.535   0.458   0.554
   68    HD1  TRP   9           HD1      TRP   9  -2.622   1.779  -1.257
   69    HE1  TRP   9           HE1      TRP   9  -4.669   1.091   0.153
   70    HE3  TRP   9           HE3      TRP   9  -0.220  -0.844   2.370
   71    HZ2  TRP   9           HZ2      TRP   9  -5.170  -0.376   2.526
   72    HZ3  TRP   9           HZ3      TRP   9  -1.536  -1.853   4.188
   73    HH2  TRP   9           HH2      TRP   9  -3.963  -1.611   4.258
   74    H    LEU  10           H        LEU  10   2.053   2.413   1.208
   75    HA   LEU  10           HA       LEU  10   0.536   3.675   3.267
   76   1HB   LEU  10          1HB       LEU  10   2.457   2.164   3.678
   77   2HB   LEU  10          2HB       LEU  10   3.530   3.386   3.023
   78    HG   LEU  10           HG       LEU  10   2.735   4.926   4.861
   79   1HD1  LEU  10          1HD1      LEU  10   0.670   3.822   5.444
   80   2HD1  LEU  10          2HD1      LEU  10   1.746   3.837   6.841
   81   3HD1  LEU  10          3HD1      LEU  10   1.544   2.359   5.898
   82   1HD2  LEU  10          1HD2      LEU  10   4.200   3.960   6.523
   83   2HD2  LEU  10          2HD2      LEU  10   4.888   3.728   4.915
   84   3HD2  LEU  10          3HD2      LEU  10   4.097   2.383   5.739
   85    H    LYS  11           H        LYS  11   2.813   4.829   0.827
   86    HA   LYS  11           HA       LYS  11   3.324   7.388   1.762
   87   1HB   LYS  11          1HB       LYS  11   3.317   6.079  -0.893
   88   2HB   LYS  11          2HB       LYS  11   3.207   7.833  -0.910
   89   1HG   LYS  11          1HG       LYS  11   5.275   8.075   0.192
   90   2HG   LYS  11          2HG       LYS  11   5.326   6.367   0.631
   91   1HD   LYS  11          1HD       LYS  11   5.978   5.706  -1.461
   92   2HD   LYS  11          2HD       LYS  11   5.178   7.062  -2.257
   93   1HE   LYS  11          1HE       LYS  11   7.383   7.652  -2.508
   94   2HE   LYS  11          2HE       LYS  11   6.988   8.476  -1.000
   95   1HZ   LYS  11          1HZ       LYS  11   7.955   6.622   0.219
   96   2HZ   LYS  11          2HZ       LYS  11   9.088   7.306  -0.834
   97   3HZ   LYS  11          3HZ       LYS  11   8.342   5.841  -1.232
   98    H    ASP  12           H        ASP  12   0.567   6.191  -0.109
   99    HA   ASP  12           HA       ASP  12  -0.697   8.752  -0.324
  100   1HB   ASP  12          1HB       ASP  12  -0.999   6.685  -1.846
  101   2HB   ASP  12          2HB       ASP  12  -2.115   6.109  -0.617
  102    H    GLY  13           H        GLY  13  -0.996   5.959   1.816
  103   1HA   GLY  13          1HA       GLY  13  -1.552   6.870   4.174
  104   2HA   GLY  13          2HA       GLY  13  -3.044   7.366   3.391
  105    H    GLY  14           H        GLY  14  -1.172   4.369   3.011
  106   1HA   GLY  14          1HA       GLY  14  -1.886   2.189   2.976
  107   2HA   GLY  14          2HA       GLY  14  -2.387   2.597   4.607
  108    HA   PRO  15           HA       PRO  15  -6.261   0.895   2.970
  109   1HB   PRO  15          1HB       PRO  15  -6.978   1.764   5.726
  110   2HB   PRO  15          2HB       PRO  15  -7.343   0.255   4.901
  111   1HG   PRO  15          1HG       PRO  15  -5.436   0.351   6.741
  112   2HG   PRO  15          2HG       PRO  15  -5.200  -0.592   5.257
  113   1HD   PRO  15          1HD       PRO  15  -4.069   2.073   6.002
  114   2HD   PRO  15          2HD       PRO  15  -3.325   0.749   5.092
  115    H    SER  16           H        SER  16  -6.007   3.898   4.880
  116    HA   SER  16           HA       SER  16  -8.487   4.931   3.970
  117   1HB   SER  16          1HB       SER  16  -7.978   6.887   5.202
  118   2HB   SER  16          2HB       SER  16  -7.242   5.566   6.107
  119    HG   SER  16           HG       SER  16  -5.254   6.170   5.376
  120    H    SER  17           H        SER  17  -5.440   4.750   2.443
  121    HA   SER  17           HA       SER  17  -5.186   7.079   0.995
  122   1HB   SER  17          1HB       SER  17  -3.873   5.852  -0.572
  123   2HB   SER  17          2HB       SER  17  -3.620   5.085   0.993
  124    HG   SER  17           HG       SER  17  -4.089   3.696  -0.921
  125    H    GLY  18           H        GLY  18  -7.286   4.313   0.318
  126   1HA   GLY  18          1HA       GLY  18  -9.478   5.209  -0.707
  127   2HA   GLY  18          2HA       GLY  18  -8.411   5.730  -2.004
  128    H    ARG  19           H        ARG  19  -6.669   3.468  -1.926
  129    HA   ARG  19           HA       ARG  19  -8.434   1.451  -3.133
  130   1HB   ARG  19          1HB       ARG  19  -6.397   0.680  -4.321
  131   2HB   ARG  19          2HB       ARG  19  -6.799   2.354  -4.678
  132   1HG   ARG  19          1HG       ARG  19  -4.853   3.093  -3.894
  133   2HG   ARG  19          2HG       ARG  19  -4.977   2.119  -2.430
  134   1HD   ARG  19          1HD       ARG  19  -3.313   0.886  -3.251
  135   2HD   ARG  19          2HD       ARG  19  -4.478   0.260  -4.416
  136    HE   ARG  19           HE       ARG  19  -3.468   1.500  -6.059
  137   1HH1  ARG  19          1HH1      ARG  19  -2.306   2.616  -2.947
  138   2HH1  ARG  19          2HH1      ARG  19  -1.057   3.600  -3.630
  139   1HH2  ARG  19          1HH2      ARG  19  -1.822   2.800  -6.949
  140   2HH2  ARG  19          2HH2      ARG  19  -0.783   3.707  -5.900
  141    HA   PRO  20           HA       PRO  20  -7.493  -1.481   0.043
  142   1HB   PRO  20          1HB       PRO  20  -7.378  -3.600  -2.000
  143   2HB   PRO  20          2HB       PRO  20  -8.516  -3.390  -0.666
  144   1HG   PRO  20          1HG       PRO  20  -9.249  -3.001  -3.220
  145   2HG   PRO  20          2HG       PRO  20  -9.913  -2.025  -1.897
  146   1HD   PRO  20          1HD       PRO  20  -7.761  -1.337  -3.867
  147   2HD   PRO  20          2HD       PRO  20  -9.096  -0.332  -3.258
  148    HA   PRO  21           HA       PRO  21  -3.182  -2.413   0.244
  149   1HB   PRO  21          1HB       PRO  21  -3.164  -5.035   1.126
  150   2HB   PRO  21          2HB       PRO  21  -3.363  -3.620   2.163
  151   1HG   PRO  21          1HG       PRO  21  -5.434  -5.462   1.047
  152   2HG   PRO  21          2HG       PRO  21  -5.345  -4.713   2.652
  153   1HD   PRO  21          1HD       PRO  21  -6.990  -3.777   0.749
  154   2HD   PRO  21          2HD       PRO  21  -6.176  -2.688   1.891
  155    HA   PRO  22           HA       PRO  22  -1.814  -4.378  -3.459
  156   1HB   PRO  22          1HB       PRO  22   0.614  -5.376  -2.705
  157   2HB   PRO  22          2HB       PRO  22   0.311  -3.661  -3.002
  158   1HG   PRO  22          1HG       PRO  22   0.345  -5.150  -0.398
  159   2HG   PRO  22          2HG       PRO  22   1.112  -3.602  -0.808
  160   1HD   PRO  22          1HD       PRO  22  -1.198  -3.660   0.521
  161   2HD   PRO  22          2HD       PRO  22  -0.898  -2.450  -0.740
  162    H    SER  23           H        SER  23  -0.289  -6.538  -3.892
  163    HA   SER  23           HA       SER  23  -1.905  -8.766  -2.867
  164   1HB   SER  23          1HB       SER  23  -0.586  -8.374  -5.554
  165   2HB   SER  23          2HB       SER  23  -1.226  -9.927  -5.019
  166    HG   SER  23           HG       SER  23  -3.132  -9.243  -5.542
  Start of MODEL   30
    1    H    ALA   1           H        ALA   1   5.850  -6.637  -5.898
    2    HA   ALA   1           HA       ALA   1   4.800  -8.148  -4.400
    3   1HB   ALA   1          1HB       ALA   1   6.673  -8.476  -3.148
    4   2HB   ALA   1          2HB       ALA   1   6.809  -6.775  -2.701
    5   3HB   ALA   1          3HB       ALA   1   7.311  -7.308  -4.304
    6    H    LEU   2           H        LEU   2   4.562  -8.413  -1.885
    7    HA   LEU   2           HA       LEU   2   2.297  -6.920  -1.111
    8   1HB   LEU   2          1HB       LEU   2   2.759  -9.224  -0.356
    9   2HB   LEU   2          2HB       LEU   2   4.107  -8.638   0.596
   10    HG   LEU   2           HG       LEU   2   1.924  -9.146   1.822
   11   1HD1  LEU   2          1HD1      LEU   2   2.468  -7.667   3.477
   12   2HD1  LEU   2          2HD1      LEU   2   2.745  -6.336   2.354
   13   3HD1  LEU   2          3HD1      LEU   2   3.944  -7.619   2.513
   14   1HD2  LEU   2          1HD2      LEU   2   1.141  -6.499   0.610
   15   2HD2  LEU   2          2HD2      LEU   2   0.247  -7.390   1.841
   16   3HD2  LEU   2          3HD2      LEU   2   0.421  -8.061   0.220
   17    H    GLN   3           H        GLN   3   5.593  -6.944   0.283
   18    HA   GLN   3           HA       GLN   3   5.062  -4.634   1.897
   19   1HB   GLN   3          1HB       GLN   3   7.144  -6.613   1.672
   20   2HB   GLN   3          2HB       GLN   3   7.848  -5.003   1.724
   21   1HG   GLN   3          1HG       GLN   3   5.902  -6.116   3.734
   22   2HG   GLN   3          2HG       GLN   3   7.649  -6.021   3.944
   23   1HE2  GLN   3          1HE2      GLN   3   4.661  -4.310   4.013
   24   2HE2  GLN   3          2HE2      GLN   3   5.290  -2.800   4.575
   25    H    GLU   4           H        GLU   4   6.740  -5.237  -1.160
   26    HA   GLU   4           HA       GLU   4   7.993  -2.763  -1.473
   27   1HB   GLU   4          1HB       GLU   4   7.095  -4.915  -3.319
   28   2HB   GLU   4          2HB       GLU   4   7.477  -3.355  -4.032
   29   1HG   GLU   4          1HG       GLU   4   9.420  -4.734  -4.129
   30   2HG   GLU   4          2HG       GLU   4   9.702  -3.457  -2.947
   31    H    LEU   5           H        LEU   5   4.754  -3.798  -2.535
   32    HA   LEU   5           HA       LEU   5   4.064  -1.223  -3.574
   33   1HB   LEU   5          1HB       LEU   5   3.101  -3.572  -4.159
   34   2HB   LEU   5          2HB       LEU   5   2.042  -3.290  -2.791
   35    HG   LEU   5           HG       LEU   5   2.246  -1.288  -5.021
   36   1HD1  LEU   5          1HD1      LEU   5   1.736  -3.435  -6.060
   37   2HD1  LEU   5          2HD1      LEU   5   0.338  -2.359  -6.095
   38   3HD1  LEU   5          3HD1      LEU   5   0.409  -3.676  -4.923
   39   1HD2  LEU   5          1HD2      LEU   5   0.781  -0.201  -3.759
   40   2HD2  LEU   5          2HD2      LEU   5   0.775  -1.517  -2.583
   41   3HD2  LEU   5          3HD2      LEU   5  -0.348  -1.544  -3.942
   42    H    LEU   6           H        LEU   6   3.741  -2.823  -0.476
   43    HA   LEU   6           HA       LEU   6   1.745  -1.312   0.731
   44   1HB   LEU   6          1HB       LEU   6   3.448  -3.267   1.515
   45   2HB   LEU   6          2HB       LEU   6   4.046  -1.920   2.446
   46    HG   LEU   6           HG       LEU   6   2.460  -3.222   3.749
   47   1HD1  LEU   6          1HD1      LEU   6   1.305  -0.564   2.921
   48   2HD1  LEU   6          2HD1      LEU   6   2.566  -0.813   4.128
   49   3HD1  LEU   6          3HD1      LEU   6   0.942  -1.438   4.409
   50   1HD2  LEU   6          1HD2      LEU   6   1.169  -4.121   1.848
   51   2HD2  LEU   6          2HD2      LEU   6   0.426  -2.536   1.634
   52   3HD2  LEU   6          3HD2      LEU   6   0.144  -3.449   3.116
   53    H    GLY   7           H        GLY   7   5.243  -0.645   0.541
   54   1HA   GLY   7          1HA       GLY   7   5.215   1.707   2.090
   55   2HA   GLY   7          2HA       GLY   7   6.412   1.305   0.875
   56    H    GLN   8           H        GLN   8   4.407   1.090  -1.252
   57    HA   GLN   8           HA       GLN   8   4.331   3.887  -2.003
   58   1HB   GLN   8          1HB       GLN   8   4.725   1.962  -3.614
   59   2HB   GLN   8          2HB       GLN   8   3.023   1.560  -3.431
   60   1HG   GLN   8          1HG       GLN   8   3.078   2.809  -5.377
   61   2HG   GLN   8          2HG       GLN   8   2.581   3.980  -4.158
   62   1HE2  GLN   8          1HE2      GLN   8   4.011   5.602  -3.532
   63   2HE2  GLN   8          2HE2      GLN   8   5.426   5.985  -4.451
   64    H    TRP   9           H        TRP   9   2.101   1.365  -1.074
   65    HA   TRP   9           HA       TRP   9  -0.334   2.775  -1.311
   66   1HB   TRP   9          1HB       TRP   9  -0.066   0.307  -1.183
   67   2HB   TRP   9          2HB       TRP   9   0.415   0.471   0.498
   68    HD1  TRP   9           HD1      TRP   9  -2.609   2.001  -1.378
   69    HE1  TRP   9           HE1      TRP   9  -4.734   1.390  -0.048
   70    HE3  TRP   9           HE3      TRP   9  -0.462  -0.822   2.264
   71    HZ2  TRP   9           HZ2      TRP   9  -5.386  -0.100   2.274
   72    HZ3  TRP   9           HZ3      TRP   9  -1.886  -1.797   4.016
   73    HH2  TRP   9           HH2      TRP   9  -4.300  -1.433   4.015
   74    H    LEU  10           H        LEU  10   1.992   2.306   1.281
   75    HA   LEU  10           HA       LEU  10   0.483   3.580   3.329
   76   1HB   LEU  10          1HB       LEU  10   2.361   1.974   3.698
   77   2HB   LEU  10          2HB       LEU  10   3.475   3.224   3.175
   78    HG   LEU  10           HG       LEU  10   2.650   4.644   5.077
   79   1HD1  LEU  10          1HD1      LEU  10   0.517   3.636   5.498
   80   2HD1  LEU  10          2HD1      LEU  10   1.525   3.425   6.930
   81   3HD1  LEU  10          3HD1      LEU  10   1.268   2.073   5.826
   82   1HD2  LEU  10          1HD2      LEU  10   3.959   3.476   6.761
   83   2HD2  LEU  10          2HD2      LEU  10   4.748   3.381   5.186
   84   3HD2  LEU  10          3HD2      LEU  10   3.871   1.987   5.819
   85    H    LYS  11           H        LYS  11   2.781   4.724   0.923
   86    HA   LYS  11           HA       LYS  11   3.383   7.240   1.961
   87   1HB   LYS  11          1HB       LYS  11   4.364   6.098  -0.103
   88   2HB   LYS  11          2HB       LYS  11   2.959   6.690  -0.976
   89   1HG   LYS  11          1HG       LYS  11   3.962   8.920   0.355
   90   2HG   LYS  11          2HG       LYS  11   5.383   8.063  -0.243
   91   1HD   LYS  11          1HD       LYS  11   3.085   8.404  -2.098
   92   2HD   LYS  11          2HD       LYS  11   4.065   9.825  -1.731
   93   1HE   LYS  11          1HE       LYS  11   5.440   7.287  -2.469
   94   2HE   LYS  11          2HE       LYS  11   4.662   8.227  -3.741
   95   1HZ   LYS  11          1HZ       LYS  11   5.988  10.138  -3.096
   96   2HZ   LYS  11          2HZ       LYS  11   6.989   8.829  -3.477
   97   3HZ   LYS  11          3HZ       LYS  11   6.724   9.246  -1.860
   98    H    ASP  12           H        ASP  12   0.638   6.168  -0.004
   99    HA   ASP  12           HA       ASP  12  -0.562   8.760  -0.185
  100   1HB   ASP  12          1HB       ASP  12  -0.891   6.652  -1.706
  101   2HB   ASP  12          2HB       ASP  12  -2.099   6.200  -0.522
  102    H    GLY  13           H        GLY  13  -0.797   6.026   2.005
  103   1HA   GLY  13          1HA       GLY  13  -1.410   6.823   4.336
  104   2HA   GLY  13          2HA       GLY  13  -2.861   7.448   3.568
  105    H    GLY  14           H        GLY  14  -1.201   4.356   3.026
  106   1HA   GLY  14          1HA       GLY  14  -2.026   2.228   2.924
  107   2HA   GLY  14          2HA       GLY  14  -2.558   2.605   4.553
  108    HA   PRO  15           HA       PRO  15  -6.465   1.182   2.742
  109   1HB   PRO  15          1HB       PRO  15  -7.215   2.018   5.500
  110   2HB   PRO  15          2HB       PRO  15  -7.643   0.555   4.622
  111   1HG   PRO  15          1HG       PRO  15  -5.791   0.489   6.520
  112   2HG   PRO  15          2HG       PRO  15  -5.563  -0.426   5.016
  113   1HD   PRO  15          1HD       PRO  15  -4.302   2.146   5.873
  114   2HD   PRO  15          2HD       PRO  15  -3.610   0.808   4.944
  115    H    SER  16           H        SER  16  -5.996   4.131   4.660
  116    HA   SER  16           HA       SER  16  -8.416   5.361   3.927
  117   1HB   SER  16          1HB       SER  16  -5.828   6.609   4.879
  118   2HB   SER  16          2HB       SER  16  -7.375   7.448   4.780
  119    HG   SER  16           HG       SER  16  -6.494   5.541   6.592
  120    H    SER  17           H        SER  17  -5.375   5.095   2.249
  121    HA   SER  17           HA       SER  17  -5.332   7.309   0.613
  122   1HB   SER  17          1HB       SER  17  -4.687   4.535  -0.395
  123   2HB   SER  17          2HB       SER  17  -3.987   6.064  -0.909
  124    HG   SER  17           HG       SER  17  -2.897   4.556   0.762
  125    H    GLY  18           H        GLY  18  -7.249   4.354   0.204
  126   1HA   GLY  18          1HA       GLY  18  -9.528   5.112  -0.804
  127   2HA   GLY  18          2HA       GLY  18  -8.514   5.501  -2.186
  128    H    ARG  19           H        ARG  19  -6.783   3.412  -2.298
  129    HA   ARG  19           HA       ARG  19  -8.545   1.243  -3.131
  130   1HB   ARG  19          1HB       ARG  19  -6.571   0.364  -4.296
  131   2HB   ARG  19          2HB       ARG  19  -6.880   2.038  -4.733
  132   1HG   ARG  19          1HG       ARG  19  -4.917   2.737  -3.923
  133   2HG   ARG  19          2HG       ARG  19  -5.041   1.728  -2.481
  134   1HD   ARG  19          1HD       ARG  19  -3.280   0.698  -3.490
  135   2HD   ARG  19          2HD       ARG  19  -4.598  -0.200  -4.244
  136    HE   ARG  19           HE       ARG  19  -4.151   1.927  -5.911
  137   1HH1  ARG  19          1HH1      ARG  19  -2.191  -0.690  -4.657
  138   2HH1  ARG  19          2HH1      ARG  19  -1.152  -0.737  -6.042
  139   1HH2  ARG  19          1HH2      ARG  19  -2.782   1.857  -7.732
  140   2HH2  ARG  19          2HH2      ARG  19  -1.488   0.707  -7.788
  141    HA   PRO  20           HA       PRO  20  -7.570  -1.472   0.216
  142   1HB   PRO  20          1HB       PRO  20  -7.411  -3.744  -1.635
  143   2HB   PRO  20          2HB       PRO  20  -8.602  -3.410  -0.377
  144   1HG   PRO  20          1HG       PRO  20  -9.204  -3.251  -2.998
  145   2HG   PRO  20          2HG       PRO  20  -9.949  -2.188  -1.789
  146   1HD   PRO  20          1HD       PRO  20  -7.709  -1.616  -3.697
  147   2HD   PRO  20          2HD       PRO  20  -9.085  -0.591  -3.235
  148    HA   PRO  21           HA       PRO  21  -3.267  -2.442   0.506
  149   1HB   PRO  21          1HB       PRO  21  -3.234  -4.994   1.533
  150   2HB   PRO  21          2HB       PRO  21  -3.530  -3.541   2.493
  151   1HG   PRO  21          1HG       PRO  21  -5.491  -5.487   1.344
  152   2HG   PRO  21          2HG       PRO  21  -5.487  -4.708   2.937
  153   1HD   PRO  21          1HD       PRO  21  -7.079  -3.849   0.954
  154   2HD   PRO  21          2HD       PRO  21  -6.337  -2.718   2.105
  155    HA   PRO  22           HA       PRO  22  -2.041  -4.676  -3.116
  156   1HB   PRO  22          1HB       PRO  22   0.576  -5.124  -2.585
  157   2HB   PRO  22          2HB       PRO  22  -0.059  -3.520  -2.965
  158   1HG   PRO  22          1HG       PRO  22   0.590  -4.717  -0.301
  159   2HG   PRO  22          2HG       PRO  22   0.935  -3.087  -0.909
  160   1HD   PRO  22          1HD       PRO  22  -1.149  -3.637   0.746
  161   2HD   PRO  22          2HD       PRO  22  -1.189  -2.333  -0.457
  162    H    SER  23           H        SER  23  -3.508  -6.457  -2.174
  163    HA   SER  23           HA       SER  23  -2.261  -8.701  -0.916
  164   1HB   SER  23          1HB       SER  23  -4.937  -8.466  -2.317
  165   2HB   SER  23          2HB       SER  23  -4.419  -9.847  -1.352
  166    HG   SER  23           HG       SER  23  -5.146  -7.272  -0.541