*HEADER   BLOOD COAGULATION                       28-MAY-98   1BF9    
*TITLE    N-TERMINAL EGF-LIKE DOMAIN FROM HUMAN FACTOR VII, NMR,      
*TITLE   2 23 STRUCTURES                                              
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: FACTOR VII;                                      
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: N-TERMINAL EGF-LIKE DOMAIN;                      
*COMPND  5 EC: 3.4.21.21;                                             
*COMPND  6 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                         
*SOURCE  4 ORGANISM_COMMON: HUMAN                                     
*KEYWDS   BLOOD COAGULATION, EGF, HYDROLASE, SERINE PROTEASE          
*EXPDTA   NMR, 23 STRUCTURES                                          
*AUTHOR   A.MURANYI,B.E.FINN,G.P.GIPPERT,S.FORSEN,J.STENFLO,          
*AUTHOR  2 T.DRAKENBERG                                               
*REVDAT  1   16-FEB-99 1BF9    0                                      
 
!set message=off echo=off end
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assi (resid 68 and name HE# )    (resid 54 and name HB3 )        3.28 1.48 0.33
assi (resid 68 and name HE# )    (resid 54 and name HD# )        4.50 2.70 0.45
assi (resid 68 and name HN )     (resid 67 and name HA )         4.50 2.70 0.45
assi (resid 68 and name HN )     (resid 67 and name HB# )        3.04 1.24 0.30
assi (resid 68 and name HN )     (resid 68 and name HA )         3.38 1.58 0.34
assi (resid 68 and name HN )     (resid 68 and name HB2 )        4.50 2.70 0.45
assi (resid 68 and name HN )     (resid 68 and name HB3 )        3.59 1.79 0.36
assi (resid 69 and name HA )     (resid 69 and name HB )         2.96 1.16 0.30
assi (resid 69 and name HA )     (resid 69 and name HD1# )       2.99 1.19 0.60
assi (resid 69 and name HA )     (resid 69 and name HG1# )       2.82 1.02 0.28
assi (resid 69 and name HA )     (resid 69 and name HG2# )       3.46 1.66 0.65
assi (resid 69 and name HB )     (resid 69 and name HD1# )       2.71 0.91 0.57
assi (resid 69 and name HB )     (resid 69 and name HG2# )       2.48 0.68 0.55
assi (resid 69 and name HD1# )   (resid 69 and name HG1# )       2.42 0.62 0.54
assi (resid 69 and name HD1# )   (resid 69 and name HG2# )       4.50 2.70 0.45
assi (resid 69 and name HG1# )   (resid 69 and name HG2# )       2.77 0.97 0.58
assi (resid 69 and name HN )     (resid 64 and name HN )         4.22 2.42 0.42
assi (resid 69 and name HN )     (resid 68 and name HA )         2.53 0.73 0.25
assi (resid 69 and name HN )     (resid 68 and name HB2 )        2.77 0.97 0.28
assi (resid 69 and name HN )     (resid 68 and name HB3 )        3.78 1.98 0.38
assi (resid 69 and name HN )     (resid 68 and name HD# )        3.65 1.85 0.36
assi (resid 69 and name HN )     (resid 69 and name HA )         3.15 1.35 0.32
assi (resid 69 and name HN )     (resid 69 and name HB )         3.29 1.49 0.33
assi (resid 69 and name HN )     (resid 69 and name HD1# )       3.69 1.89 0.67
assi (resid 69 and name HN )     (resid 69 and name HG1# )       4.50 2.70 0.45
assi (resid 69 and name HN )     (resid 69 and name HG2# )       3.37 1.57 0.64
assi (resid 70 and name HA )     (resid 55 and name HB3 )        4.50 2.70 0.45
assi (resid 70 and name HA )     (resid 61 and name HA )         2.59 0.79 0.26
assi (resid 70 and name HA )     (resid 70 and name HB2 )        2.68 0.88 0.27
assi (resid 70 and name HA )     (resid 70 and name HB3 )        2.45 0.65 0.25
assi (resid 70 and name HB2 )    (resid 55 and name HB2 )        4.50 2.70 0.45
assi (resid 70 and name HB2 )    (resid 55 and name HB3 )        4.50 2.70 0.45
assi (resid 70 and name HB2 )    (resid 70 and name HB3 )        1.93 0.13 0.19
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assi (resid 70 and name HN )     (resid 68 and name HD# )        3.59 1.79 0.36
assi (resid 70 and name HN )     (resid 69 and name HA )         2.28 0.48 0.23
assi (resid 70 and name HN )     (resid 69 and name HB )         4.50 2.70 0.45
assi (resid 70 and name HN )     (resid 69 and name HG1# )       3.48 1.68 0.35
assi (resid 70 and name HN )     (resid 69 and name HG2# )       3.34 1.54 0.63
assi (resid 70 and name HN )     (resid 70 and name HA )         3.03 1.23 0.30
assi (resid 70 and name HN )     (resid 70 and name HB2 )        2.69 0.89 0.27
assi (resid 70 and name HN )     (resid 70 and name HB3 )        3.18 1.38 0.32
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assi (resid 71 and name HD# )    (resid 60 and name HB# )        3.60 1.80 0.36
assi (resid 71 and name HD# )    (resid 71 and name HB2 )        2.91 1.11 0.29
assi (resid 71 and name HD# )    (resid 71 and name HB3 )        2.97 1.17 0.30
assi ((resid 71 and name HD# ) or (resid 71 and name HE# ))      (resid 62 and name HB# )        2.92 1.12 0.29
assi ((resid 71 and name HD# ) or (resid 71 and name HE# ))      (resid 69 and name HD1# )       3.42 1.62 0.64
assi ((resid 71 and name HD# ) or (resid 71 and name HE# ))      (resid 69 and name HG1# )       4.45 2.65 0.45
assi (resid 71 and name HE# )    (resid 62 and name HD# )        3.17 1.37 0.32
assi (resid 71 and name HE# )    (resid 62 and name HG# )        3.13 1.33 0.31
assi (resid 71 and name HE# )    (resid 69 and name HG2# )       3.17 1.37 0.62
assi (resid 71 and name HN )     (resid 60 and name HB# )        4.27 2.47 0.43
assi (resid 71 and name HN )     (resid 60 and name HN )         3.10 1.30 0.31
assi (resid 71 and name HN )     (resid 61 and name HA )         4.50 2.70 0.45
assi (resid 71 and name HN )     (resid 70 and name HA )         2.33 0.53 0.23
assi (resid 71 and name HN )     (resid 70 and name HB2 )        4.39 2.59 0.44
assi (resid 71 and name HN )     (resid 70 and name HB3 )        3.51 1.71 0.35
assi (resid 71 and name HN )     (resid 71 and name HA )         4.50 2.70 0.45
assi (resid 71 and name HN )     (resid 71 and name HB2 )        2.74 0.94 0.27
assi (resid 71 and name HN )     (resid 71 and name HB3 )        3.92 2.12 0.39
assi (resid 71 and name HN )     (resid 71 and name HD# )        3.33 1.53 0.33
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assi (resid 72 and name HB3 )    (resid 72 and name HB2 )        3.36 1.56 0.34
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assi (resid 72 and name HN )     (resid 71 and name HB3 )        3.79 1.99 0.38
assi (resid 72 and name HN )     (resid 72 and name HA )         4.18 2.38 0.42
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assi (resid 72 and name HN )     (resid 72 and name HB3 )        3.50 1.70 0.35
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assi (resid 73 and name HB# )    ((resid 73 and name HG ) or (resid 73 and name HB# ))   4.50 2.70 0.45
assi (resid 73 and name HD1# )   (resid 58 and name HA# )        2.82 1.02 0.58
assi (resid 73 and name HD1# )   (resid 73 and name HA )         3.54 1.74 0.65
assi (resid 73 and name HD1# )   (resid 73 and name HB# )        2.98 1.18 0.60
assi (resid 73 and name HD2# )   (resid 73 and name HA )         3.14 1.34 0.61
assi (resid 73 and name HD2# )   (resid 73 and name HB# )        2.88 1.08 0.59
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assi ((resid 73 and name HG ) or (resid 73 and name HB# ))       (resid 73 and name HD2# )       4.50 2.70 0.45
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assi (resid 73 and name HN )     ((resid 73 and name HG ) or (resid 73 and name HB# ))   2.18 0.38 0.22
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assi (resid 73 and name HN )     (resid 72 and name HB3 )        2.97 1.17 0.30
assi (resid 73 and name HN )     (resid 73 and name HA )         3.98 2.18 0.40
assi (resid 73 and name HN )     (resid 73 and name HB# )        2.96 1.16 0.30
assi (resid 73 and name HN )     (resid 73 and name HD1# )       4.50 2.70 0.45
assi (resid 73 and name HN )     (resid 73 and name HD2# )       4.50 2.70 0.45
assi (resid 73 and name HN )     (resid 75 and name HB# )        3.45 1.65 0.65
assi (resid 73 and name HN )     (resid 76 and name HD# )        3.63 1.83 0.36
assi (resid 73 and name HN )     (resid 76 and name HE# )        4.32 2.52 0.43
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assi (resid 74 and name HA )     (resid 74 and name HG# )        3.40 1.60 0.34
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assi (resid 74 and name HD# )    ((resid 73 and name HD1# ) or (resid 73 and name HD2# ))        2.96 1.16 0.60
assi (resid 74 and name HD# )    (resid 74 and name HB2 )        2.87 1.07 0.29
assi (resid 74 and name HD# )    (resid 74 and name HB3 )        3.28 1.48 0.33
assi (resid 74 and name HD# )    (resid 74 and name HG# )        4.50 2.70 0.45
assi (resid 75 and name HA )     (resid 75 and name HB# )        2.41 0.61 0.54
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assi (resid 75 and name HA )     (resid 85 and name HB3 )        4.50 2.70 0.45
assi (resid 75 and name HA )     (resid 85 and name HD# )        2.56 0.76 0.26
assi (resid 75 and name HA )     (resid 85 and name HG# )        4.50 2.70 0.45
assi (resid 75 and name HN )     (resid 73 and name HB# )        3.31 1.51 0.33
assi (resid 75 and name HN )     (resid 74 and name HA )         3.06 1.26 0.31
assi (resid 75 and name HN )     (resid 74 and name HB2 )        3.13 1.33 0.31
assi (resid 75 and name HN )     (resid 74 and name HB3 )        4.48 2.68 0.45
assi (resid 75 and name HN )     (resid 74 and name HD# )        4.09 2.29 0.41
assi (resid 75 and name HN )     (resid 75 and name HA )         2.94 1.14 0.29
assi (resid 75 and name HN )     (resid 75 and name HB# )        2.51 0.71 0.55
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assi (resid 76 and name HA )     (resid 85 and name HG# )        3.03 1.23 0.30
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assi (resid 76 and name HB3 )    (resid 76 and name HB2 )        4.50 2.70 0.45
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assi (resid 76 and name HD# )    (resid 73 and name HA )         4.50 2.70 0.45
assi (resid 76 and name HD# )    (resid 73 and name HB# )        2.44 0.64 0.24
assi (resid 76 and name HD# )    (resid 73 and name HD1# )       2.99 1.19 0.60
assi (resid 76 and name HD# )    (resid 76 and name HA )         3.10 1.30 0.31
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assi (resid 76 and name HD# )    (resid 76 and name HB3 )        2.56 0.76 0.26
assi (resid 76 and name HD# )    (resid 84 and name HA )         3.27 1.47 0.33
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assi (resid 76 and name HE# )    ((resid 73 and name HG ) or (resid 73 and name HB# ))   3.57 1.77 0.36
assi (resid 76 and name HE# )    (resid 73 and name HB# )        4.45 2.65 0.45
assi (resid 76 and name HE# )    (resid 73 and name HD1# )       3.02 1.22 0.60
assi (resid 76 and name HE# )    (resid 76 and name HB3 )        4.50 2.70 0.45
assi (resid 76 and name HE# )    (resid 76 and name HD# )        2.25 0.45 0.23
assi (resid 76 and name HE# )    (resid 84 and name HA )         3.71 1.91 0.37
assi (resid 76 and name HE# )    (resid 84 and name HB# )        2.98 1.18 0.30
assi (resid 76 and name HN )     (resid 75 and name HA )         3.21 1.41 0.32
assi (resid 76 and name HN )     (resid 75 and name HB# )        3.74 1.94 0.67
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assi (resid 76 and name HN )     (resid 76 and name HA )         2.66 0.86 0.27
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assi (resid 76 and name HN )     (resid 76 and name HB3 )        4.50 2.70 0.45
assi (resid 76 and name HN )     (resid 76 and name HD# )        3.04 1.24 0.30
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assi (resid 77 and name HA )     ((resid 85 and name HG# ) or (resid 83 and name HG2# ))         4.50 2.70 0.45
assi (resid 77 and name HA )     (resid 72 and name HB2 )        4.50 2.70 0.45
assi (resid 77 and name HA )     (resid 72 and name HB3 )        4.50 2.70 0.45
assi (resid 77 and name HA )     (resid 77 and name HB# )        4.50 2.70 0.45
assi (resid 77 and name HA )     (resid 81 and name HA )         4.50 2.70 0.45
assi (resid 77 and name HA )     (resid 85 and name HE# )        4.50 2.70 0.45
assi ((resid 77 and name HB# ) or (resid 77 and name HG# ))      (resid 83 and name HG2# )       2.51 0.71 0.55
assi (resid 77 and name HN )     ((resid 83 and name HG2# ) or (resid 85 and name HG# ))         4.50 2.70 0.75
assi (resid 77 and name HN )     (resid 76 and name HA )         2.45 0.65 0.25
assi (resid 77 and name HN )     (resid 76 and name HB2 )        3.84 2.04 0.38
assi (resid 77 and name HN )     (resid 76 and name HB3 )        2.98 1.18 0.30
assi (resid 77 and name HN )     (resid 81 and name HA )         3.86 2.06 0.39
assi (resid 77 and name HN )     (resid 83 and name HB )         3.20 1.40 0.32
assi (resid 77 and name HN )     (resid 83 and name HN )         3.20 1.40 0.32
assi (resid 77 and name HN )     (resid 84 and name HA )         4.50 2.70 0.45
assi (resid 77 and name HN )     (resid 85 and name HN )         3.69 1.89 0.37
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assi (resid 79 and name HA )     (resid 79 and name HG# )        2.60 0.80 0.26
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assi (resid 79 and name HB# )    (resid 79 and name HG# )        4.50 2.70 0.45
assi (resid 79 and name HD# )    (resid 79 and name HB# )        2.82 1.02 0.28
assi (resid 79 and name HD# )    (resid 79 and name HG# )        2.61 0.81 0.26
assi (resid 79 and name HE )     (resid 79 and name HA )         4.50 2.70 0.45
assi (resid 79 and name HE )     (resid 79 and name HD# )        3.12 1.32 0.31
assi (resid 79 and name HE )     (resid 79 and name HG# )        3.30 1.50 0.33
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assi (resid 79 and name HN )     (resid 79 and name HA )         2.86 1.06 0.29
assi (resid 79 and name HN )     (resid 79 and name HB# )        2.70 0.90 0.27
assi (resid 79 and name HN )     (resid 79 and name HG# )        3.82 2.02 0.38
assi (resid 79 and name HN )     (resid 80 and name HN )         2.87 1.07 0.29
assi (resid 79 and name HN )     (resid 81 and name HN )         4.50 2.70 0.45
assi (resid 80 and name HA )     (resid 55 and name HA )         4.06 2.26 0.41
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assi (resid 80 and name HA )     (resid 70 and name HB3 )        3.50 1.70 0.35
assi (resid 80 and name HA )     (resid 80 and name HB# )        2.63 0.83 0.26
assi (resid 80 and name HB# )    (resid 82 and name HB3 )        2.89 1.09 0.29
assi (resid 80 and name HD21 )   (resid 54 and name HB2 )        3.77 1.97 0.38
assi (resid 80 and name HD21 )   (resid 80 and name HB# )        3.52 1.72 0.35
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assi (resid 80 and name HD22 )   (resid 80 and name HB# )        2.86 1.06 0.29
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assi (resid 80 and name HN )     (resid 79 and name HB# )        2.95 1.15 0.30
assi (resid 80 and name HN )     (resid 79 and name HG# )        3.80 2.00 0.38
assi (resid 80 and name HN )     (resid 80 and name HA )         2.93 1.13 0.29
assi (resid 80 and name HN )     (resid 80 and name HB# )        2.74 0.94 0.27
assi (resid 80 and name HN )     (resid 81 and name HN )         2.77 0.97 0.28
assi (resid 80 and name HN )     (resid 83 and name HN )         4.50 2.70 0.45
assi (resid 81 and name HA )     (resid 76 and name HB2 )        4.50 2.70 0.45
assi (resid 81 and name HA )     (resid 81 and name HB# )        2.27 0.47 0.23
assi (resid 81 and name HB# )    (resid 56 and name HB2 )        4.50 2.70 0.45
assi (resid 81 and name HB# )    (resid 57 and name HB# )        4.50 2.70 0.45
assi (resid 81 and name HB# )    (resid 72 and name HB3 )        4.50 2.70 0.45
assi (resid 81 and name HB# )    (resid 76 and name HB2 )        2.64 0.84 0.26
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assi (resid 81 and name HN )     (resid 79 and name HA )         4.12 2.32 0.41
assi (resid 81 and name HN )     (resid 80 and name HA )         3.44 1.64 0.34
assi (resid 81 and name HN )     (resid 81 and name HA )         2.38 0.58 0.24
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assi (resid 82 and name HA )     (resid 82 and name HG# )        2.67 0.87 0.27
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assi (resid 82 and name HN )     (resid 81 and name HN )         3.30 1.50 0.33
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assi (resid 82 and name HN )     (resid 82 and name HB3 )        2.88 1.08 0.29
assi (resid 82 and name HN )     (resid 82 and name HG# )        3.72 1.92 0.37
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assi (resid 83 and name HN )     (resid 81 and name HA )         3.87 2.07 0.39
assi (resid 83 and name HN )     (resid 82 and name HA )         3.77 1.97 0.38
assi (resid 83 and name HN )     (resid 82 and name HG# )        3.24 1.44 0.32
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assi (resid 83 and name HN )     (resid 83 and name HB )         2.73 0.93 0.27
assi (resid 83 and name HN )     (resid 83 and name HG2# )       3.54 1.74 0.65
assi (resid 84 and name HA )     (resid 84 and name HB# )        2.58 0.78 0.26
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assi (resid 84 and name HD2 )    (resid 76 and name HD# )        4.50 2.70 0.45
assi (resid 84 and name HD2 )    (resid 84 and name HA )         4.50 2.70 0.45
assi (resid 84 and name HD2 )    (resid 84 and name HB# )        3.69 1.89 0.37
assi (resid 84 and name HN )     (resid 83 and name HA )         2.64 0.84 0.26
assi (resid 84 and name HN )     (resid 83 and name HG2# )       3.23 1.43 0.62
assi (resid 84 and name HN )     (resid 84 and name HA )         2.94 1.14 0.29
assi (resid 84 and name HN )     (resid 84 and name HB# )        2.45 0.65 0.25
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assi (resid 85 and name HA )     (resid 85 and name HB3 )        4.50 2.70 0.45
assi (resid 85 and name HA )     (resid 85 and name HG# )        3.21 1.41 0.32
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assi (resid 85 and name HE# )    ((resid 77 and name HB# ) or (resid 77 and name HG# ))          2.55 0.75 0.26
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assi (resid 85 and name HE# )    (resid 85 and name HB3 )        4.50 2.70 0.45
assi (resid 85 and name HE# )    (resid 85 and name HD# )        2.62 0.82 0.26
assi (resid 85 and name HE# )    (resid 85 and name HG# )        2.87 1.07 0.29
assi (resid 85 and name HG# )    (resid 85 and name HD# )        3.08 1.28 0.31
assi (resid 85 and name HN )     (resid 75 and name HB# )        3.80 2.00 0.68
assi (resid 85 and name HN )     (resid 76 and name HA )         3.02 1.22 0.30
assi (resid 85 and name HN )     (resid 84 and name HA )         2.35 0.55 0.24
assi (resid 85 and name HN )     (resid 84 and name HB# )        3.89 2.09 0.39
assi (resid 85 and name HN )     (resid 85 and name HA )         2.92 1.12 0.29
assi (resid 85 and name HN )     (resid 85 and name HB2 )        2.64 0.84 0.26
assi (resid 85 and name HN )     (resid 85 and name HB3 )        4.50 2.70 0.45
assi (resid 85 and name HN )     (resid 85 and name HD# )        4.50 2.70 0.45
assi (resid 85 and name HN )     (resid 85 and name HG# )        2.76 0.96 0.28
assi ((resid 85 and name HN ) or (resid 47 and name HN )) ((resid 76 and name HB2 ) or (resid 48 and name HB# )) 3.89 2.09 0.39
assi (resid 71 and name HN )     (resid 60 and name O )          2.00 0.30 0.30
assi (resid 71 and name N )      (resid 60 and name O )          3.00 0.30 0.30
assi (resid 62 and name HN )     (resid 69 and name O )          2.00 0.30 0.30
assi (resid 62 and name N )      (resid 69 and name O )          3.00 0.30 0.30
assi (resid 69 and name HN )     (resid 62 and name O )          2.00 0.30 0.30
assi (resid 69 and name N )      (resid 62 and name O )          3.00 0.30 0.30
assi (resid 64 and name HN )     (resid 67 and name O )          2.00 0.30 0.30
assi (resid 64 and name N )      (resid 67 and name O )          3.00 0.30 0.30
assi (resid 76 and name HN )     (resid 73 and name O )          2.00 0.30 0.30
assi (resid 76 and name N )      (resid 73 and name O )          3.00 0.30 0.30
assi (resid 81 and name HN )     (resid 78 and name O )          2.00 0.30 0.30
assi (resid 81 and name N )      (resid 78 and name O )          3.00 0.30 0.30
set message=on echo=on end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    SER  45          3H        SER  45  15.829  -0.080   7.436
    2   2H    SER  45          2H        SER  45  15.714  -1.173   8.727
    3   3H    SER  45          1H        SER  45  17.218  -0.492   8.323
    4    HA   SER  45           HA       SER  45  17.522  -1.841   6.508
    5   1HB   SER  45          2HB       SER  45  16.460  -2.939   8.924
    6   2HB   SER  45          3HB       SER  45  15.864  -3.916   7.586
    7    HG   SER  45           HG       SER  45  18.561  -3.123   7.675
    8    H    ASP  46           H        ASP  46  16.567  -1.346   4.536
    9    HA   ASP  46           HA       ASP  46  15.004  -1.495   2.768
   10   1HB   ASP  46          2HB       ASP  46  14.801  -3.812   4.427
   11   2HB   ASP  46          3HB       ASP  46  13.168  -3.358   3.943
   12    H    GLY  47           H        GLY  47  13.811   0.392   2.678
   13   1HA   GLY  47          2HA       GLY  47  11.146   0.498   3.691
   14   2HA   GLY  47          3HA       GLY  47  12.188   1.442   4.757
   15    H    ASP  48           H        ASP  48  11.787   1.009   1.219
   16    HA   ASP  48           HA       ASP  48  11.910   4.000   0.977
   17   1HB   ASP  48          2HB       ASP  48  13.005   1.780  -0.779
   18   2HB   ASP  48          3HB       ASP  48  12.996   3.481  -1.246
   19    H    GLN  49           H        GLN  49  10.532   0.974  -0.275
   20    HA   GLN  49           HA       GLN  49   8.983   1.742  -2.411
   21   1HB   GLN  49          2HB       GLN  49   8.292   0.050  -0.017
   22   2HB   GLN  49          3HB       GLN  49   7.320   0.072  -1.483
   23   1HG   GLN  49          2HG       GLN  49  10.240  -0.718  -1.258
   24   2HG   GLN  49          3HG       GLN  49   8.883  -1.798  -1.587
   25   1HE2  GLN  49          1HE2      GLN  49   8.490   0.360  -4.760
   26   2HE2  GLN  49          2HE2      GLN  49   7.632   0.439  -3.294
   27    H    CYS  50           H        CYS  50   8.082   2.209   1.015
   28    HA   CYS  50           HA       CYS  50   5.690   3.757   0.290
   29   1HB   CYS  50          2HB       CYS  50   5.770   2.238   2.228
   30   2HB   CYS  50          3HB       CYS  50   7.089   3.180   2.923
   31    H    ALA  51           H        ALA  51   8.046   4.962  -0.773
   32    HA   ALA  51           HA       ALA  51   8.714   7.210   1.049
   33   1HB   ALA  51          1HB       ALA  51   9.771   5.970  -1.458
   34   2HB   ALA  51          2HB       ALA  51  10.133   7.672  -1.176
   35   3HB   ALA  51          3HB       ALA  51  10.638   6.457  -0.002
   36    H    SER  52           H        SER  52   6.593   6.457  -1.556
   37    HA   SER  52           HA       SER  52   5.899   9.360  -1.823
   38   1HB   SER  52          2HB       SER  52   6.037   9.216  -4.140
   39   2HB   SER  52          3HB       SER  52   7.300   8.074  -3.690
   40    HG   SER  52           HG       SER  52   4.797   7.648  -4.798
   41    H    SER  53           H        SER  53   4.701   7.058  -0.282
   42    HA   SER  53           HA       SER  53   2.563   6.128   0.116
   43   1HB   SER  53          2HB       SER  53   0.868   7.763  -0.078
   44   2HB   SER  53          3HB       SER  53   2.343   8.720   0.021
   45    HG   SER  53           HG       SER  53   1.227   9.485  -1.716
   46    HA   PRO  54           HA       PRO  54   2.365   4.505  -4.241
   47   1HB   PRO  54          2HB       PRO  54   3.048   1.925  -3.626
   48   2HB   PRO  54          3HB       PRO  54   4.243   3.175  -4.028
   49   1HG   PRO  54          2HG       PRO  54   3.475   2.070  -1.385
   50   2HG   PRO  54          3HG       PRO  54   5.050   2.632  -1.962
   51   1HD   PRO  54          2HD       PRO  54   3.379   4.071  -0.307
   52   2HD   PRO  54          3HD       PRO  54   4.645   4.781  -1.334
   53    H    CYS  55           H        CYS  55   0.785   4.189  -1.330
   54    HA   CYS  55           HA       CYS  55  -1.109   2.086  -2.278
   55   1HB   CYS  55          2HB       CYS  55  -1.095   3.498   0.396
   56   2HB   CYS  55          3HB       CYS  55  -1.693   1.881   0.017
   57    H    GLN  56           H        GLN  56  -3.498   2.646  -1.693
   58    HA   GLN  56           HA       GLN  56  -4.046   5.537  -2.223
   59   1HB   GLN  56          2HB       GLN  56  -5.252   3.058  -3.480
   60   2HB   GLN  56          3HB       GLN  56  -5.887   4.687  -3.719
   61   1HG   GLN  56          2HG       GLN  56  -3.848   5.418  -4.756
   62   2HG   GLN  56          3HG       GLN  56  -3.019   3.927  -4.307
   63   1HE2  GLN  56          1HE2      GLN  56  -6.018   3.126  -6.958
   64   2HE2  GLN  56          2HE2      GLN  56  -6.361   3.852  -5.452
   65    H    ASN  57           H        ASN  57  -6.434   6.028  -1.748
   66    HA   ASN  57           HA       ASN  57  -8.175   6.118  -0.152
   67   1HB   ASN  57          2HB       ASN  57  -7.546   3.158  -0.315
   68   2HB   ASN  57          3HB       ASN  57  -8.966   3.806   0.504
   69   1HD2  ASN  57          1HD2      ASN  57  -9.140   3.286  -3.450
   70   2HD2  ASN  57          2HD2      ASN  57  -7.968   2.564  -2.443
   71    H    GLY  58           H        GLY  58  -5.597   6.709   0.887
   72   1HA   GLY  58          2HA       GLY  58  -4.407   6.808   2.909
   73   2HA   GLY  58          3HA       GLY  58  -5.986   6.583   3.661
   74    H    GLY  59           H        GLY  59  -4.521   4.194   1.525
   75   1HA   GLY  59          2HA       GLY  59  -4.805   2.146   3.577
   76   2HA   GLY  59          3HA       GLY  59  -4.115   1.906   1.966
   77    H    SER  60           H        SER  60  -2.950   0.824   4.341
   78    HA   SER  60           HA       SER  60  -0.719   2.524   5.177
   79   1HB   SER  60          2HB       SER  60  -2.079   0.254   6.083
   80   2HB   SER  60          3HB       SER  60  -0.479  -0.346   5.658
   81    HG   SER  60           HG       SER  60  -1.209   1.058   7.789
   82    H    CYS  61           H        CYS  61   1.583   1.656   4.895
   83    HA   CYS  61           HA       CYS  61   1.925   0.311   2.236
   84   1HB   CYS  61          2HB       CYS  61   3.757   1.953   1.834
   85   2HB   CYS  61          3HB       CYS  61   2.200   2.750   2.051
   86    H    LYS  62           H        LYS  62   2.805  -1.664   2.874
   87    HA   LYS  62           HA       LYS  62   4.879  -1.647   5.028
   88   1HB   LYS  62          2HB       LYS  62   3.136  -3.227   5.394
   89   2HB   LYS  62          3HB       LYS  62   3.151  -3.744   3.709
   90   1HG   LYS  62          2HG       LYS  62   5.415  -4.681   4.012
   91   2HG   LYS  62          3HG       LYS  62   5.388  -4.182   5.704
   92   1HD   LYS  62          2HD       LYS  62   3.209  -5.554   5.879
   93   2HD   LYS  62          3HD       LYS  62   3.691  -6.272   4.343
   94   1HE   LYS  62          2HE       LYS  62   5.747  -7.119   5.295
   95   2HE   LYS  62          3HE       LYS  62   5.477  -6.219   6.800
   96   1HZ   LYS  62          3HZ       LYS  62   3.340  -7.427   7.019
   97   2HZ   LYS  62          1HZ       LYS  62   3.781  -8.392   5.692
   98   3HZ   LYS  62          2HZ       LYS  62   4.697  -8.445   7.118
   99    H    ASP  63           H        ASP  63   6.932  -2.686   4.638
  100    HA   ASP  63           HA       ASP  63   7.706  -2.738   1.747
  101   1HB   ASP  63          2HB       ASP  63   8.708  -1.139   3.526
  102   2HB   ASP  63          3HB       ASP  63   9.541  -2.568   4.139
  103    H    GLN  64           H        GLN  64   7.901  -4.789   0.957
  104    HA   GLN  64           HA       GLN  64   8.612  -6.994   2.850
  105   1HB   GLN  64          2HB       GLN  64   7.917  -7.937   0.228
  106   2HB   GLN  64          3HB       GLN  64   7.025  -8.147   1.729
  107   1HG   GLN  64          2HG       GLN  64   5.976  -5.905   1.370
  108   2HG   GLN  64          3HG       GLN  64   6.803  -5.804  -0.185
  109   1HE2  GLN  64          1HE2      GLN  64   3.790  -8.587   0.230
  110   2HE2  GLN  64          2HE2      GLN  64   4.666  -8.100   1.611
  111    H    LEU  65           H        LEU  65   9.657  -8.836   1.042
  112    HA   LEU  65           HA       LEU  65  12.318  -7.652   0.531
  113   1HB   LEU  65          2HB       LEU  65  11.192 -10.464   0.436
  114   2HB   LEU  65          3HB       LEU  65  12.896 -10.072   0.196
  115    HG   LEU  65           HG       LEU  65  12.015  -8.752   2.572
  116   1HD1  LEU  65          1HD1      LEU  65  11.112 -11.603   2.243
  117   2HD1  LEU  65          2HD1      LEU  65  11.602 -11.010   3.830
  118   3HD1  LEU  65          3HD1      LEU  65  10.257 -10.248   2.980
  119   1HD2  LEU  65          1HD2      LEU  65  14.317  -9.543   1.964
  120   2HD2  LEU  65          2HD2      LEU  65  13.811 -10.058   3.574
  121   3HD2  LEU  65          3HD2      LEU  65  13.775 -11.200   2.230
  122    H    GLN  66           H        GLN  66   9.497  -8.481  -1.220
  123    HA   GLN  66           HA       GLN  66  10.994  -8.608  -3.806
  124   1HB   GLN  66          2HB       GLN  66   8.056  -9.120  -3.281
  125   2HB   GLN  66          3HB       GLN  66   9.027  -9.692  -4.638
  126   1HG   GLN  66          2HG       GLN  66  10.370 -10.621  -2.360
  127   2HG   GLN  66          3HG       GLN  66   8.660 -10.889  -2.017
  128   1HE2  GLN  66          1HE2      GLN  66   8.476 -12.775  -5.296
  129   2HE2  GLN  66          2HE2      GLN  66   7.823 -11.292  -4.786
  130    H    SER  67           H        SER  67   8.830  -6.662  -1.909
  131    HA   SER  67           HA       SER  67   9.182  -4.305  -3.483
  132   1HB   SER  67          2HB       SER  67   7.896  -5.551  -5.142
  133   2HB   SER  67          3HB       SER  67   6.661  -5.934  -3.948
  134    HG   SER  67           HG       SER  67   6.807  -3.820  -5.518
  135    H    TYR  68           H        TYR  68   5.897  -4.460  -2.702
  136    HA   TYR  68           HA       TYR  68   6.154  -4.063   0.187
  137   1HB   TYR  68          2HB       TYR  68   5.361  -1.663  -0.010
  138   2HB   TYR  68          3HB       TYR  68   7.008  -1.949  -0.583
  139    HD1  TYR  68           HD1      TYR  68   7.515  -1.990  -2.994
  140    HD2  TYR  68           HD2      TYR  68   3.561  -1.140  -1.549
  141    HE1  TYR  68           HE1      TYR  68   6.885  -1.119  -5.230
  142    HE2  TYR  68           HE2      TYR  68   2.932  -0.267  -3.784
  143    HH   TYR  68           HH       TYR  68   4.628  -0.861  -6.532
  144    H    ILE  69           H        ILE  69   4.091  -4.135   1.196
  145    HA   ILE  69           HA       ILE  69   1.764  -4.516  -0.660
  146    HB   ILE  69           HB       ILE  69   2.785  -6.561   0.440
  147   1HG1  ILE  69          2HG1      ILE  69   0.046  -6.202   1.587
  148   2HG1  ILE  69          3HG1      ILE  69   0.238  -6.077  -0.163
  149   1HG2  ILE  69          3HG2      ILE  69   3.260  -5.242   2.592
  150   2HG2  ILE  69          1HG2      ILE  69   1.552  -5.464   2.971
  151   3HG2  ILE  69          2HG2      ILE  69   2.606  -6.868   2.791
  152   1HD1  ILE  69          3HD1      ILE  69   1.768  -8.313   0.727
  153   2HD1  ILE  69          1HD1      ILE  69   0.156  -8.445   1.432
  154   3HD1  ILE  69          2HD1      ILE  69   0.346  -8.315  -0.317
  155    H    CYS  70           H        CYS  70   0.383  -2.799  -0.337
  156    HA   CYS  70           HA       CYS  70   0.432  -1.250   2.132
  157   1HB   CYS  70          2HB       CYS  70  -1.395  -1.223  -0.278
  158   2HB   CYS  70          3HB       CYS  70  -1.289   0.043   0.944
  159    H    PHE  71           H        PHE  71  -1.147  -1.224   3.746
  160    HA   PHE  71           HA       PHE  71  -3.089  -3.497   3.716
  161   1HB   PHE  71          2HB       PHE  71  -1.706  -1.835   5.825
  162   2HB   PHE  71          3HB       PHE  71  -3.127  -2.806   6.228
  163    HD1  PHE  71           HD1      PHE  71   0.262  -3.015   4.662
  164    HD2  PHE  71           HD2      PHE  71  -2.929  -5.124   6.615
  165    HE1  PHE  71           HE1      PHE  71   1.683  -5.044   4.791
  166    HE2  PHE  71           HE2      PHE  71  -1.509  -7.153   6.744
  167    HZ   PHE  71           HZ       PHE  71   0.797  -7.113   5.833
  168    H    CYS  72           H        CYS  72  -4.596  -2.271   2.336
  169    HA   CYS  72           HA       CYS  72  -5.623   0.315   2.894
  170   1HB   CYS  72          2HB       CYS  72  -7.107  -2.077   1.765
  171   2HB   CYS  72          3HB       CYS  72  -7.426  -0.375   1.423
  172    H    LEU  73           H        LEU  73  -8.140   0.491   3.496
  173    HA   LEU  73           HA       LEU  73  -8.407  -0.739   6.198
  174   1HB   LEU  73          2HB       LEU  73 -10.095   1.426   4.926
  175   2HB   LEU  73          3HB       LEU  73  -9.823   1.131   6.643
  176    HG   LEU  73           HG       LEU  73  -7.638   1.948   4.705
  177   1HD1  LEU  73          1HD1      LEU  73  -9.199   3.627   6.697
  178   2HD1  LEU  73          2HD1      LEU  73  -7.817   4.181   5.751
  179   3HD1  LEU  73          3HD1      LEU  73  -9.321   3.743   4.941
  180   1HD2  LEU  73          1HD2      LEU  73  -7.119   0.670   6.887
  181   2HD2  LEU  73          2HD2      LEU  73  -6.275   2.198   6.638
  182   3HD2  LEU  73          3HD2      LEU  73  -7.663   2.124   7.724
  183    HA   PRO  74           HA       PRO  74 -11.884  -3.247   5.284
  184   1HB   PRO  74          2HB       PRO  74 -13.774  -1.610   6.863
  185   2HB   PRO  74          3HB       PRO  74 -13.253  -3.288   7.123
  186   1HG   PRO  74          2HG       PRO  74 -12.458  -1.254   8.702
  187   2HG   PRO  74          3HG       PRO  74 -11.455  -2.676   8.383
  188   1HD   PRO  74          2HD       PRO  74 -11.214   0.081   7.308
  189   2HD   PRO  74          3HD       PRO  74  -9.948  -1.116   7.661
  190    H    ALA  75           H        ALA  75 -12.004   0.106   4.641
  191    HA   ALA  75           HA       ALA  75 -14.558   0.137   3.214
  192   1HB   ALA  75          1HB       ALA  75 -12.193   2.004   3.513
  193   2HB   ALA  75          2HB       ALA  75 -13.607   2.418   2.541
  194   3HB   ALA  75          3HB       ALA  75 -13.778   2.142   4.275
  195    H    PHE  76           H        PHE  76 -11.138  -0.249   2.383
  196    HA   PHE  76           HA       PHE  76 -11.943  -0.639  -0.474
  197   1HB   PHE  76          2HB       PHE  76  -9.204   0.133   0.549
  198   2HB   PHE  76          3HB       PHE  76  -9.858   0.343  -1.079
  199    HD1  PHE  76           HD1      PHE  76 -10.027   1.550   2.422
  200    HD2  PHE  76           HD2      PHE  76 -11.263   2.216  -1.637
  201    HE1  PHE  76           HE1      PHE  76 -10.845   3.808   3.042
  202    HE2  PHE  76           HE2      PHE  76 -12.082   4.474  -1.017
  203    HZ   PHE  76           HZ       PHE  76 -11.872   5.269   1.323
  204    H    GLU  77           H        GLU  77  -9.805  -1.906  -1.491
  205    HA   GLU  77           HA       GLU  77  -8.762  -4.030   0.218
  206   1HB   GLU  77          2HB       GLU  77 -11.138  -4.680  -0.079
  207   2HB   GLU  77          3HB       GLU  77 -10.924  -4.633  -1.829
  208   1HG   GLU  77          2HG       GLU  77  -8.876  -6.253  -0.534
  209   2HG   GLU  77          3HG       GLU  77 -10.500  -6.845  -0.180
  210    H    GLY  78           H        GLY  78  -7.018  -5.050  -0.815
  211   1HA   GLY  78          2HA       GLY  78  -6.185  -5.826  -3.120
  212   2HA   GLY  78          3HA       GLY  78  -6.485  -4.161  -3.620
  213    H    ARG  79           H        ARG  79  -3.924  -5.321  -3.811
  214    HA   ARG  79           HA       ARG  79  -2.207  -4.800  -1.579
  215   1HB   ARG  79          2HB       ARG  79  -1.837  -6.125  -3.756
  216   2HB   ARG  79          3HB       ARG  79  -1.493  -4.568  -4.510
  217   1HG   ARG  79          2HG       ARG  79   0.606  -4.658  -3.713
  218   2HG   ARG  79          3HG       ARG  79  -0.033  -4.670  -2.067
  219   1HD   ARG  79          2HD       ARG  79   0.278  -6.927  -1.833
  220   2HD   ARG  79          3HD       ARG  79  -0.202  -7.261  -3.508
  221    HE   ARG  79           HE       ARG  79   2.407  -5.913  -3.004
  222   1HH1  ARG  79          1HH1      ARG  79   0.819  -7.461  -5.390
  223   2HH1  ARG  79          2HH1      ARG  79   1.990  -8.707  -5.670
  224   1HH2  ARG  79          1HH2      ARG  79   3.810  -8.005  -2.802
  225   2HH2  ARG  79          2HH2      ARG  79   3.684  -9.014  -4.204
  226    H    ASN  80           H        ASN  80  -3.801  -2.671  -3.787
  227    HA   ASN  80           HA       ASN  80  -2.211  -0.375  -2.697
  228   1HB   ASN  80          2HB       ASN  80  -1.647  -1.164  -5.074
  229   2HB   ASN  80          3HB       ASN  80  -3.256  -0.598  -5.530
  230   1HD2  ASN  80          1HD2      ASN  80  -0.517   2.127  -5.745
  231   2HD2  ASN  80          2HD2      ASN  80  -0.426   0.476  -6.164
  232    H    CYS  81           H        CYS  81  -5.001  -1.650  -2.224
  233    HA   CYS  81           HA       CYS  81  -7.156  -0.821  -1.718
  234   1HB   CYS  81          2HB       CYS  81  -5.852   1.878  -2.163
  235   2HB   CYS  81          3HB       CYS  81  -7.210   1.503  -1.103
  236    H    GLU  82           H        GLU  82  -5.902  -0.901  -4.652
  237    HA   GLU  82           HA       GLU  82  -7.301   1.005  -6.248
  238   1HB   GLU  82          2HB       GLU  82  -5.538  -0.182  -7.252
  239   2HB   GLU  82          3HB       GLU  82  -6.104  -1.734  -6.630
  240   1HG   GLU  82          2HG       GLU  82  -8.100  -1.547  -8.134
  241   2HG   GLU  82          3HG       GLU  82  -7.396  -0.083  -8.823
  242    H    THR  83           H        THR  83  -8.450  -1.714  -4.474
  243    HA   THR  83           HA       THR  83 -10.945  -1.871  -6.112
  244    HB   THR  83           HB       THR  83 -10.440  -3.676  -3.804
  245    HG1  THR  83           HG1      THR  83  -8.790  -3.495  -6.085
  246   1HG2  THR  83          3HG2      THR  83 -12.041  -3.620  -6.106
  247   2HG2  THR  83          1HG2      THR  83 -10.835  -4.871  -6.416
  248   3HG2  THR  83          2HG2      THR  83 -11.856  -4.968  -4.981
  249    H    HIS  84           H        HIS  84 -11.545   0.311  -5.132
  250    HA   HIS  84           HA       HIS  84 -12.067   0.542  -2.293
  251   1HB   HIS  84          2HB       HIS  84 -11.679   2.479  -3.697
  252   2HB   HIS  84          3HB       HIS  84 -13.015   2.033  -4.758
  253    HD1  HIS  84           HD1      HIS  84 -13.848   4.548  -4.012
  254    HD2  HIS  84           HD2      HIS  84 -14.037   1.566  -1.105
  255    HE1  HIS  84           HE1      HIS  84 -15.416   5.400  -2.214
  256    H    LYS  85           H        LYS  85 -13.657  -0.616  -1.275
  257    HA   LYS  85           HA       LYS  85 -15.718  -2.106  -2.504
  258   1HB   LYS  85          2HB       LYS  85 -15.660  -0.765   0.222
  259   2HB   LYS  85          3HB       LYS  85 -16.653  -2.157  -0.223
  260   1HG   LYS  85          2HG       LYS  85 -14.490  -3.358  -0.820
  261   2HG   LYS  85          3HG       LYS  85 -13.634  -2.024  -0.043
  262   1HD   LYS  85          2HD       LYS  85 -14.843  -2.455   2.056
  263   2HD   LYS  85          3HD       LYS  85 -15.730  -3.771   1.285
  264   1HE   LYS  85          2HE       LYS  85 -13.167  -4.513   0.712
  265   2HE   LYS  85          3HE       LYS  85 -12.941  -3.722   2.285
  266   1HZ   LYS  85          1HZ       LYS  85 -15.040  -5.740   1.690
  267   2HZ   LYS  85          2HZ       LYS  85 -13.590  -6.075   2.504
  268   3HZ   LYS  85          3HZ       LYS  85 -14.729  -5.022   3.199
   
  No H/Q in entry =         268
  Start of MODEL    2
    1   1H    SER  45          2H        SER  45  18.693   5.161  -6.388
    2   2H    SER  45          1H        SER  45  18.043   3.788  -5.625
    3   3H    SER  45          3H        SER  45  18.454   3.728  -7.269
    4    HA   SER  45           HA       SER  45  16.677   5.141  -7.888
    5   1HB   SER  45          2HB       SER  45  15.665   3.100  -7.705
    6   2HB   SER  45          3HB       SER  45  16.325   2.819  -6.096
    7    HG   SER  45           HG       SER  45  14.669   3.906  -5.215
    8    H    ASP  46           H        ASP  46  14.426   5.930  -6.722
    9    HA   ASP  46           HA       ASP  46  15.187   7.537  -4.309
   10   1HB   ASP  46          2HB       ASP  46  13.801   9.368  -5.483
   11   2HB   ASP  46          3HB       ASP  46  15.390   9.018  -6.166
   12    H    GLY  47           H        GLY  47  13.901   6.174  -2.945
   13   1HA   GLY  47          2HA       GLY  47  11.751   6.184  -1.791
   14   2HA   GLY  47          3HA       GLY  47  10.967   6.518  -3.336
   15    H    ASP  48           H        ASP  48  12.306   4.021  -1.292
   16    HA   ASP  48           HA       ASP  48  12.290   1.825  -3.108
   17   1HB   ASP  48          2HB       ASP  48  12.296   2.346  -0.205
   18   2HB   ASP  48          3HB       ASP  48  11.609   0.783  -0.651
   19    H    GLN  49           H        GLN  49   9.969   1.673  -0.483
   20    HA   GLN  49           HA       GLN  49   7.752   1.406  -2.482
   21   1HB   GLN  49          2HB       GLN  49   8.176  -0.227   0.019
   22   2HB   GLN  49          3HB       GLN  49   6.986  -0.520  -1.246
   23   1HG   GLN  49          2HG       GLN  49   8.634  -1.191  -2.802
   24   2HG   GLN  49          3HG       GLN  49   9.939  -0.464  -1.865
   25   1HE2  GLN  49          1HE2      GLN  49   9.964  -3.172   0.563
   26   2HE2  GLN  49          2HE2      GLN  49  10.119  -1.475   0.482
   27    H    CYS  50           H        CYS  50   8.264   1.565   1.062
   28    HA   CYS  50           HA       CYS  50   5.739   2.987   1.466
   29   1HB   CYS  50          2HB       CYS  50   7.945   1.787   3.037
   30   2HB   CYS  50          3HB       CYS  50   7.135   3.149   3.812
   31    H    ALA  51           H        ALA  51   8.556   4.036   0.167
   32    HA   ALA  51           HA       ALA  51   8.798   6.570   1.681
   33   1HB   ALA  51          1HB       ALA  51  10.250   5.147  -0.539
   34   2HB   ALA  51          2HB       ALA  51  10.566   6.857  -0.243
   35   3HB   ALA  51          3HB       ALA  51  10.867   5.671   1.027
   36    H    SER  52           H        SER  52   6.987   5.361  -0.938
   37    HA   SER  52           HA       SER  52   6.554   8.136  -1.998
   38   1HB   SER  52          2HB       SER  52   7.637   6.615  -3.587
   39   2HB   SER  52          3HB       SER  52   6.376   5.413  -3.329
   40    HG   SER  52           HG       SER  52   5.618   7.998  -4.071
   41    H    SER  53           H        SER  53   5.171   5.680  -0.184
   42    HA   SER  53           HA       SER  53   2.951   5.270   0.515
   43   1HB   SER  53          2HB       SER  53   3.163   7.731   0.870
   44   2HB   SER  53          3HB       SER  53   2.581   7.997  -0.770
   45    HG   SER  53           HG       SER  53   0.620   7.581  -0.124
   46    HA   PRO  54           HA       PRO  54   1.978   4.312  -3.999
   47   1HB   PRO  54          2HB       PRO  54   2.169   1.567  -3.677
   48   2HB   PRO  54          3HB       PRO  54   3.487   2.600  -4.266
   49   1HG   PRO  54          2HG       PRO  54   3.051   1.440  -1.572
   50   2HG   PRO  54          3HG       PRO  54   4.561   1.743  -2.444
   51   1HD   PRO  54          2HD       PRO  54   3.659   3.312  -0.409
   52   2HD   PRO  54          3HD       PRO  54   4.694   3.909  -1.724
   53    H    CYS  55           H        CYS  55   0.872   3.544  -0.848
   54    HA   CYS  55           HA       CYS  55  -1.495   2.012  -1.603
   55   1HB   CYS  55          2HB       CYS  55  -1.039   3.602   0.932
   56   2HB   CYS  55          3HB       CYS  55  -1.957   2.108   0.738
   57    H    GLN  56           H        GLN  56  -3.726   2.985  -0.893
   58    HA   GLN  56           HA       GLN  56  -3.895   5.908  -1.423
   59   1HB   GLN  56          2HB       GLN  56  -5.359   3.739  -2.961
   60   2HB   GLN  56          3HB       GLN  56  -5.588   5.474  -3.176
   61   1HG   GLN  56          2HG       GLN  56  -3.251   5.733  -3.843
   62   2HG   GLN  56          3HG       GLN  56  -2.965   4.014  -3.571
   63   1HE2  GLN  56          1HE2      GLN  56  -5.711   4.573  -6.547
   64   2HE2  GLN  56          2HE2      GLN  56  -5.988   5.207  -4.988
   65    H    ASN  57           H        ASN  57  -6.482   6.362  -1.450
   66    HA   ASN  57           HA       ASN  57  -8.343   6.580  -0.002
   67   1HB   ASN  57          2HB       ASN  57  -8.034   3.614   0.429
   68   2HB   ASN  57          3HB       ASN  57  -9.508   4.541   0.151
   69   1HD2  ASN  57          1HD2      ASN  57  -9.191   4.469  -3.407
   70   2HD2  ASN  57          2HD2      ASN  57  -9.974   5.221  -2.090
   71    H    GLY  58           H        GLY  58  -5.816   7.035   1.287
   72   1HA   GLY  58          2HA       GLY  58  -4.894   7.183   3.440
   73   2HA   GLY  58          3HA       GLY  58  -6.545   6.951   4.019
   74    H    GLY  59           H        GLY  59  -4.162   4.845   2.339
   75   1HA   GLY  59          2HA       GLY  59  -4.815   2.780   4.402
   76   2HA   GLY  59          3HA       GLY  59  -4.314   2.397   2.749
   77    H    SER  60           H        SER  60  -3.041   1.461   5.176
   78    HA   SER  60           HA       SER  60  -0.555   2.996   5.512
   79   1HB   SER  60          2HB       SER  60  -2.011   1.412   7.119
   80   2HB   SER  60          3HB       SER  60  -0.923   0.187   6.470
   81    HG   SER  60           HG       SER  60   0.667   1.044   7.557
   82    H    CYS  61           H        CYS  61   1.534   2.211   4.853
   83    HA   CYS  61           HA       CYS  61   1.421   0.267   2.581
   84   1HB   CYS  61          2HB       CYS  61   3.304   1.483   1.710
   85   2HB   CYS  61          3HB       CYS  61   2.157   2.693   2.283
   86    H    LYS  62           H        LYS  62   2.458  -1.667   2.839
   87    HA   LYS  62           HA       LYS  62   4.117  -2.058   5.289
   88   1HB   LYS  62          2HB       LYS  62   2.085  -3.479   4.632
   89   2HB   LYS  62          3HB       LYS  62   3.086  -4.123   3.330
   90   1HG   LYS  62          2HG       LYS  62   4.123  -5.517   4.755
   91   2HG   LYS  62          3HG       LYS  62   4.570  -4.168   5.801
   92   1HD   LYS  62          2HD       LYS  62   2.369  -4.259   6.889
   93   2HD   LYS  62          3HD       LYS  62   1.888  -5.581   5.826
   94   1HE   LYS  62          2HE       LYS  62   3.828  -6.923   6.729
   95   2HE   LYS  62          3HE       LYS  62   4.089  -5.630   7.916
   96   1HZ   LYS  62          3HZ       LYS  62   1.773  -5.849   8.601
   97   2HZ   LYS  62          1HZ       LYS  62   1.549  -7.119   7.498
   98   3HZ   LYS  62          2HZ       LYS  62   2.607  -7.314   8.814
   99    H    ASP  63           H        ASP  63   6.284  -2.678   5.127
  100    HA   ASP  63           HA       ASP  63   7.471  -2.592   2.382
  101   1HB   ASP  63          2HB       ASP  63   9.492  -1.893   3.561
  102   2HB   ASP  63          3HB       ASP  63   8.136  -0.917   4.128
  103    H    GLN  64           H        GLN  64   7.966  -4.591   1.577
  104    HA   GLN  64           HA       GLN  64   9.125  -6.612   3.449
  105   1HB   GLN  64          2HB       GLN  64   7.561  -7.925   1.427
  106   2HB   GLN  64          3HB       GLN  64   7.344  -7.972   3.172
  107   1HG   GLN  64          2HG       GLN  64   6.153  -5.689   2.887
  108   2HG   GLN  64          3HG       GLN  64   6.077  -6.096   1.175
  109   1HE2  GLN  64          1HE2      GLN  64   3.747  -8.154   3.841
  110   2HE2  GLN  64          2HE2      GLN  64   4.997  -7.138   4.407
  111    H    LEU  65           H        LEU  65  10.426  -8.247   2.308
  112    HA   LEU  65           HA       LEU  65  12.294  -7.253   0.486
  113   1HB   LEU  65          2HB       LEU  65  12.631  -9.266   1.771
  114   2HB   LEU  65          3HB       LEU  65  11.259 -10.049   0.983
  115    HG   LEU  65           HG       LEU  65  12.541  -9.659  -1.223
  116   1HD1  LEU  65          1HD1      LEU  65  14.705  -9.171   0.839
  117   2HD1  LEU  65          2HD1      LEU  65  15.049  -9.614  -0.833
  118   3HD1  LEU  65          3HD1      LEU  65  14.214  -8.102  -0.476
  119   1HD2  LEU  65          3HD2      LEU  65  12.750 -11.694   0.820
  120   2HD2  LEU  65          1HD2      LEU  65  12.776 -11.883  -0.933
  121   3HD2  LEU  65          2HD2      LEU  65  14.274 -11.567  -0.057
  122    H    GLN  66           H        GLN  66  10.292  -9.889  -0.613
  123    HA   GLN  66           HA       GLN  66  10.387  -9.646  -3.316
  124   1HB   GLN  66          2HB       GLN  66   8.164 -10.664  -3.344
  125   2HB   GLN  66          3HB       GLN  66   9.070 -11.285  -1.963
  126   1HG   GLN  66          2HG       GLN  66   7.962  -9.629  -0.497
  127   2HG   GLN  66          3HG       GLN  66   7.039  -9.035  -1.877
  128   1HE2  GLN  66          1HE2      GLN  66   4.533 -11.385  -1.082
  129   2HE2  GLN  66          2HE2      GLN  66   4.931  -9.759  -1.359
  130    H    SER  67           H        SER  67   8.570  -7.470  -1.193
  131    HA   SER  67           HA       SER  67   8.575  -5.260  -2.948
  132   1HB   SER  67          2HB       SER  67   6.870  -7.395  -3.785
  133   2HB   SER  67          3HB       SER  67   5.837  -6.063  -3.279
  134    HG   SER  67           HG       SER  67   6.690  -4.804  -4.807
  135    H    TYR  68           H        TYR  68   5.832  -4.378  -2.482
  136    HA   TYR  68           HA       TYR  68   5.760  -4.303   0.516
  137   1HB   TYR  68          2HB       TYR  68   5.221  -1.894   0.276
  138   2HB   TYR  68          3HB       TYR  68   6.776  -2.276  -0.471
  139    HD1  TYR  68           HD1      TYR  68   3.222  -1.480  -1.114
  140    HD2  TYR  68           HD2      TYR  68   7.070  -2.212  -2.875
  141    HE1  TYR  68           HE1      TYR  68   2.391  -0.621  -3.287
  142    HE2  TYR  68           HE2      TYR  68   6.240  -1.353  -5.047
  143    HH   TYR  68           HH       TYR  68   3.988   0.487  -5.556
  144    H    ILE  69           H        ILE  69   3.604  -4.021   1.400
  145    HA   ILE  69           HA       ILE  69   1.359  -4.312  -0.557
  146    HB   ILE  69           HB       ILE  69   2.216  -6.089   1.711
  147   1HG1  ILE  69          2HG1      ILE  69   1.295  -6.454  -1.148
  148   2HG1  ILE  69          3HG1      ILE  69   2.897  -6.782  -0.484
  149   1HG2  ILE  69          3HG2      ILE  69  -0.156  -5.400   2.142
  150   2HG2  ILE  69          1HG2      ILE  69  -0.581  -5.992   0.536
  151   3HG2  ILE  69          2HG2      ILE  69   0.003  -7.115   1.763
  152   1HD1  ILE  69          3HD1      ILE  69   1.326  -8.320   1.140
  153   2HD1  ILE  69          1HD1      ILE  69   0.449  -8.425  -0.387
  154   3HD1  ILE  69          2HD1      ILE  69   2.140  -8.919  -0.306
  155    H    CYS  70           H        CYS  70  -0.283  -2.912  -0.055
  156    HA   CYS  70           HA       CYS  70  -0.196  -1.453   2.514
  157   1HB   CYS  70          2HB       CYS  70  -2.023  -1.200   0.115
  158   2HB   CYS  70          3HB       CYS  70  -1.784  -0.006   1.387
  159    H    PHE  71           H        PHE  71  -2.270  -1.212   3.749
  160    HA   PHE  71           HA       PHE  71  -3.923  -3.713   3.590
  161   1HB   PHE  71          2HB       PHE  71  -2.782  -2.071   5.843
  162   2HB   PHE  71          3HB       PHE  71  -4.205  -3.081   6.122
  163    HD1  PHE  71           HD1      PHE  71  -0.922  -3.374   4.309
  164    HD2  PHE  71           HD2      PHE  71  -3.774  -5.210   6.947
  165    HE1  PHE  71           HE1      PHE  71   0.526  -5.383   4.477
  166    HE2  PHE  71           HE2      PHE  71  -2.325  -7.215   7.117
  167    HZ   PHE  71           HZ       PHE  71  -0.175  -7.302   5.882
  168    H    CYS  72           H        CYS  72  -3.925  -0.239   3.666
  169    HA   CYS  72           HA       CYS  72  -5.708   1.328   3.770
  170   1HB   CYS  72          2HB       CYS  72  -5.869  -0.531   1.683
  171   2HB   CYS  72          3HB       CYS  72  -7.522  -0.392   2.291
  172    H    LEU  73           H        LEU  73  -8.494   0.858   3.671
  173    HA   LEU  73           HA       LEU  73  -8.935  -0.329   6.383
  174   1HB   LEU  73          2HB       LEU  73 -10.654   1.582   4.765
  175   2HB   LEU  73          3HB       LEU  73 -10.791   1.233   6.487
  176    HG   LEU  73           HG       LEU  73  -8.150   2.234   5.513
  177   1HD1  LEU  73          3HD1      LEU  73  -9.856   3.680   4.375
  178   2HD1  LEU  73          1HD1      LEU  73 -10.526   4.066   5.961
  179   3HD1  LEU  73          2HD1      LEU  73  -8.880   4.553   5.555
  180   1HD2  LEU  73          1HD2      LEU  73  -8.738   1.591   7.906
  181   2HD2  LEU  73          2HD2      LEU  73  -8.086   3.217   7.707
  182   3HD2  LEU  73          3HD2      LEU  73  -9.819   2.984   7.929
  183    HA   PRO  74           HA       PRO  74 -11.756  -3.346   4.875
  184   1HB   PRO  74          2HB       PRO  74 -14.179  -2.138   6.038
  185   2HB   PRO  74          3HB       PRO  74 -13.375  -3.663   6.463
  186   1HG   PRO  74          2HG       PRO  74 -13.342  -1.494   8.067
  187   2HG   PRO  74          3HG       PRO  74 -12.023  -2.673   8.008
  188   1HD   PRO  74          2HD       PRO  74 -12.171   0.054   6.828
  189   2HD   PRO  74          3HD       PRO  74 -10.779  -0.808   7.522
  190    H    ALA  75           H        ALA  75 -12.219  -0.090   4.067
  191    HA   ALA  75           HA       ALA  75 -14.481  -0.506   2.221
  192   1HB   ALA  75          1HB       ALA  75 -12.786   1.728   3.264
  193   2HB   ALA  75          2HB       ALA  75 -13.655   1.987   1.750
  194   3HB   ALA  75          3HB       ALA  75 -14.544   1.587   3.220
  195    H    PHE  76           H        PHE  76 -11.190  -1.153   2.050
  196    HA   PHE  76           HA       PHE  76 -11.281  -1.064  -0.918
  197   1HB   PHE  76          2HB       PHE  76  -8.948   0.031   0.664
  198   2HB   PHE  76          3HB       PHE  76  -9.276   0.228  -1.060
  199    HD1  PHE  76           HD1      PHE  76 -10.395   1.187   2.350
  200    HD2  PHE  76           HD2      PHE  76 -10.761   1.930  -1.865
  201    HE1  PHE  76           HE1      PHE  76 -11.656   3.268   2.826
  202    HE2  PHE  76           HE2      PHE  76 -12.021   4.012  -1.389
  203    HZ   PHE  76           HZ       PHE  76 -12.469   4.681   0.956
  204    H    GLU  77           H        GLU  77  -9.023  -2.066  -1.711
  205    HA   GLU  77           HA       GLU  77  -7.632  -3.914  -0.008
  206   1HB   GLU  77          2HB       GLU  77  -8.765  -5.990  -0.769
  207   2HB   GLU  77          3HB       GLU  77  -9.877  -4.929   0.096
  208   1HG   GLU  77          2HG       GLU  77 -11.160  -5.421  -1.770
  209   2HG   GLU  77          3HG       GLU  77 -10.327  -3.974  -2.341
  210    H    GLY  78           H        GLY  78  -6.041  -5.121  -1.222
  211   1HA   GLY  78          2HA       GLY  78  -5.407  -5.924  -3.554
  212   2HA   GLY  78          3HA       GLY  78  -5.856  -4.307  -4.096
  213    H    ARG  79           H        ARG  79  -3.310  -5.154  -4.651
  214    HA   ARG  79           HA       ARG  79  -1.199  -4.843  -2.901
  215   1HB   ARG  79          2HB       ARG  79  -1.172  -5.233  -5.394
  216   2HB   ARG  79          3HB       ARG  79  -1.432  -3.502  -5.613
  217   1HG   ARG  79          2HG       ARG  79   0.645  -3.007  -4.420
  218   2HG   ARG  79          3HG       ARG  79   0.896  -4.722  -4.100
  219   1HD   ARG  79          2HD       ARG  79   0.492  -3.940  -6.954
  220   2HD   ARG  79          3HD       ARG  79   2.045  -3.514  -6.206
  221    HE   ARG  79           HE       ARG  79   1.287  -6.219  -5.529
  222   1HH1  ARG  79          1HH1      ARG  79   3.995  -4.986  -6.445
  223   2HH1  ARG  79          2HH1      ARG  79   4.273  -5.910  -7.884
  224   1HH2  ARG  79          1HH2      ARG  79   1.018  -7.092  -8.071
  225   2HH2  ARG  79          2HH2      ARG  79   2.587  -7.103  -8.805
  226    H    ASN  80           H        ASN  80  -2.982  -2.162  -4.468
  227    HA   ASN  80           HA       ASN  80  -1.771  -0.296  -2.453
  228   1HB   ASN  80          2HB       ASN  80  -3.001   0.336  -5.152
  229   2HB   ASN  80          3HB       ASN  80  -1.993   1.394  -4.163
  230   1HD2  ASN  80          1HD2      ASN  80   0.867  -1.005  -4.826
  231   2HD2  ASN  80          2HD2      ASN  80  -0.019  -0.626  -3.418
  232    H    CYS  81           H        CYS  81  -4.512  -2.017  -2.964
  233    HA   CYS  81           HA       CYS  81  -6.690  -1.807  -2.102
  234   1HB   CYS  81          2HB       CYS  81  -6.245  -0.988  -0.043
  235   2HB   CYS  81          3HB       CYS  81  -4.929   0.007  -0.647
  236    H    GLU  82           H        GLU  82  -5.401  -0.001  -4.472
  237    HA   GLU  82           HA       GLU  82  -7.089   2.234  -4.881
  238   1HB   GLU  82          2HB       GLU  82  -5.199   1.954  -6.275
  239   2HB   GLU  82          3HB       GLU  82  -5.620   0.281  -6.654
  240   1HG   GLU  82          2HG       GLU  82  -7.630   1.107  -7.882
  241   2HG   GLU  82          3HG       GLU  82  -7.097   2.762  -7.582
  242    H    THR  83           H        THR  83  -7.827  -1.141  -4.947
  243    HA   THR  83           HA       THR  83 -10.196  -0.854  -6.682
  244    HB   THR  83           HB       THR  83  -8.952  -3.083  -5.047
  245    HG1  THR  83           HG1      THR  83  -8.302  -3.794  -7.010
  246   1HG2  THR  83          1HG2      THR  83 -11.649  -2.849  -6.026
  247   2HG2  THR  83          2HG2      THR  83 -10.808  -4.118  -6.916
  248   3HG2  THR  83          3HG2      THR  83 -10.903  -4.190  -5.157
  249    H    HIS  84           H        HIS  84 -10.723   0.942  -4.818
  250    HA   HIS  84           HA       HIS  84 -11.646   0.346  -2.276
  251   1HB   HIS  84          2HB       HIS  84 -12.910   2.335  -2.494
  252   2HB   HIS  84          3HB       HIS  84 -11.624   2.528  -3.682
  253    HD1  HIS  84           HD1      HIS  84 -12.304   1.873  -6.223
  254    HD2  HIS  84           HD2      HIS  84 -15.467   2.406  -3.561
  255    HE1  HIS  84           HE1      HIS  84 -14.387   2.164  -7.636
  256    H    LYS  85           H        LYS  85 -12.990  -1.245  -1.590
  257    HA   LYS  85           HA       LYS  85 -14.546  -2.991  -3.085
  258   1HB   LYS  85          2HB       LYS  85 -14.580  -1.900  -0.299
  259   2HB   LYS  85          3HB       LYS  85 -15.930  -2.917  -0.802
  260   1HG   LYS  85          2HG       LYS  85 -14.599  -4.795  -1.075
  261   2HG   LYS  85          3HG       LYS  85 -13.149  -3.845  -1.404
  262   1HD   LYS  85          2HD       LYS  85 -13.769  -3.071   1.163
  263   2HD   LYS  85          3HD       LYS  85 -14.233  -4.773   1.168
  264   1HE   LYS  85          2HE       LYS  85 -11.580  -3.934   0.002
  265   2HE   LYS  85          3HE       LYS  85 -11.759  -4.196   1.749
  266   1HZ   LYS  85          1HZ       LYS  85 -12.647  -6.131  -0.324
  267   2HZ   LYS  85          2HZ       LYS  85 -11.162  -6.241   0.497
  268   3HZ   LYS  85          3HZ       LYS  85 -12.623  -6.373   1.354
   
  No H/Q in entry =         268
  Start of MODEL    3
    1   1H    SER  45          3H        SER  45  16.575   4.826  -3.872
    2   2H    SER  45          2H        SER  45  16.516   4.465  -5.531
    3   3H    SER  45          1H        SER  45  16.047   3.298  -4.394
    4    HA   SER  45           HA       SER  45  18.267   2.815  -5.275
    5   1HB   SER  45          2HB       SER  45  19.896   4.727  -4.258
    6   2HB   SER  45          3HB       SER  45  19.210   4.821  -5.878
    7    HG   SER  45           HG       SER  45  18.886   6.529  -3.949
    8    H    ASP  46           H        ASP  46  16.628   3.561  -2.444
    9    HA   ASP  46           HA       ASP  46  18.653   2.079  -0.799
   10   1HB   ASP  46          2HB       ASP  46  16.795   4.258   0.185
   11   2HB   ASP  46          3HB       ASP  46  18.212   3.597   1.002
   12    H    GLY  47           H        GLY  47  16.351   0.977  -2.243
   13   1HA   GLY  47          2HA       GLY  47  14.400  -0.292  -1.866
   14   2HA   GLY  47          3HA       GLY  47  15.255  -0.788  -0.404
   15    H    ASP  48           H        ASP  48  13.313   1.951  -1.643
   16    HA   ASP  48           HA       ASP  48  12.350   2.422   1.150
   17   1HB   ASP  48          2HB       ASP  48  12.780   4.042  -1.326
   18   2HB   ASP  48          3HB       ASP  48  11.500   4.557  -0.225
   19    H    GLN  49           H        GLN  49  11.405   1.087  -1.838
   20    HA   GLN  49           HA       GLN  49   9.316   0.533  -2.789
   21   1HB   GLN  49          2HB       GLN  49   9.068   0.021   0.163
   22   2HB   GLN  49          3HB       GLN  49   7.937  -0.620  -1.028
   23   1HG   GLN  49          2HG       GLN  49   9.355  -2.349  -1.332
   24   2HG   GLN  49          3HG       GLN  49  10.501  -1.206  -2.029
   25   1HE2  GLN  49          1HE2      GLN  49  10.936  -2.024   1.989
   26   2HE2  GLN  49          2HE2      GLN  49   9.366  -1.949   1.327
   27    H    CYS  50           H        CYS  50   7.917   1.597   0.285
   28    HA   CYS  50           HA       CYS  50   5.924   3.209  -1.125
   29   1HB   CYS  50          2HB       CYS  50   6.492   2.990   1.841
   30   2HB   CYS  50          3HB       CYS  50   4.956   3.386   1.072
   31    H    ALA  51           H        ALA  51   8.550   4.294  -1.570
   32    HA   ALA  51           HA       ALA  51   9.247   6.398   0.244
   33   1HB   ALA  51          1HB       ALA  51   9.870   5.465  -2.479
   34   2HB   ALA  51          2HB       ALA  51  10.066   7.205  -2.267
   35   3HB   ALA  51          3HB       ALA  51  10.954   6.085  -1.234
   36    H    SER  52           H        SER  52   6.548   6.047  -1.809
   37    HA   SER  52           HA       SER  52   5.985   8.986  -1.605
   38   1HB   SER  52          2HB       SER  52   4.989   7.387  -3.924
   39   2HB   SER  52          3HB       SER  52   5.486   9.076  -3.863
   40    HG   SER  52           HG       SER  52   7.299   8.357  -4.638
   41    H    SER  53           H        SER  53   5.068   6.019  -0.560
   42    HA   SER  53           HA       SER  53   3.077   5.278   0.489
   43   1HB   SER  53          2HB       SER  53   3.122   7.910   0.852
   44   2HB   SER  53          3HB       SER  53   1.766   7.866  -0.270
   45    HG   SER  53           HG       SER  53   0.630   7.284   1.390
   46    HA   PRO  54           HA       PRO  54   1.407   4.376  -3.695
   47   1HB   PRO  54          2HB       PRO  54   1.351   1.660  -3.332
   48   2HB   PRO  54          3HB       PRO  54   2.787   2.533  -3.908
   49   1HG   PRO  54          2HG       PRO  54   2.170   1.475  -1.207
   50   2HG   PRO  54          3HG       PRO  54   3.717   1.558  -2.061
   51   1HD   PRO  54          2HD       PRO  54   2.963   3.292  -0.074
   52   2HD   PRO  54          3HD       PRO  54   4.142   3.681  -1.344
   53    H    CYS  55           H        CYS  55   0.545   2.475  -0.770
   54    HA   CYS  55           HA       CYS  55  -2.071   1.759  -1.281
   55   1HB   CYS  55          2HB       CYS  55  -0.403   1.818   0.870
   56   2HB   CYS  55          3HB       CYS  55  -1.577   3.047   1.350
   57    H    GLN  56           H        GLN  56  -4.135   2.812  -1.030
   58    HA   GLN  56           HA       GLN  56  -4.072   5.792  -0.847
   59   1HB   GLN  56          2HB       GLN  56  -5.541   4.031  -2.836
   60   2HB   GLN  56          3HB       GLN  56  -5.730   5.781  -2.717
   61   1HG   GLN  56          2HG       GLN  56  -3.611   6.210  -3.548
   62   2HG   GLN  56          3HG       GLN  56  -2.972   4.659  -3.003
   63   1HE2  GLN  56          1HE2      GLN  56  -5.484   4.016  -6.136
   64   2HE2  GLN  56          2HE2      GLN  56  -6.057   4.666  -4.666
   65    H    ASN  57           H        ASN  57  -6.577   6.495  -0.790
   66    HA   ASN  57           HA       ASN  57  -8.555   6.498   0.503
   67   1HB   ASN  57          2HB       ASN  57  -8.263   3.496   0.584
   68   2HB   ASN  57          3HB       ASN  57  -9.732   4.454   0.409
   69   1HD2  ASN  57          1HD2      ASN  57  -9.348   4.876  -3.123
   70   2HD2  ASN  57          2HD2      ASN  57 -10.123   5.483  -1.730
   71    H    GLY  58           H        GLY  58  -6.026   6.707   1.899
   72   1HA   GLY  58          2HA       GLY  58  -5.358   6.797   4.154
   73   2HA   GLY  58          3HA       GLY  58  -6.931   6.129   4.588
   74    H    GLY  59           H        GLY  59  -5.041   4.394   2.246
   75   1HA   GLY  59          2HA       GLY  59  -4.841   2.134   4.122
   76   2HA   GLY  59          3HA       GLY  59  -4.405   2.103   2.407
   77    H    SER  60           H        SER  60  -2.884   1.292   4.921
   78    HA   SER  60           HA       SER  60  -0.616   3.181   4.978
   79   1HB   SER  60          2HB       SER  60  -1.485   0.675   6.387
   80   2HB   SER  60          3HB       SER  60   0.200   1.177   6.500
   81    HG   SER  60           HG       SER  60  -1.761   3.121   6.882
   82    H    CYS  61           H        CYS  61   1.623   1.699   5.009
   83    HA   CYS  61           HA       CYS  61   1.551   0.011   2.536
   84   1HB   CYS  61          2HB       CYS  61   2.370   2.526   2.452
   85   2HB   CYS  61          3HB       CYS  61   3.852   1.837   3.120
   86    H    LYS  62           H        LYS  62   2.990  -1.746   2.548
   87    HA   LYS  62           HA       LYS  62   4.357  -2.252   5.170
   88   1HB   LYS  62          2HB       LYS  62   2.534  -3.776   4.349
   89   2HB   LYS  62          3HB       LYS  62   3.551  -4.168   2.965
   90   1HG   LYS  62          2HG       LYS  62   5.357  -4.725   4.772
   91   2HG   LYS  62          3HG       LYS  62   3.974  -4.843   5.861
   92   1HD   LYS  62          2HD       LYS  62   2.995  -6.302   3.850
   93   2HD   LYS  62          3HD       LYS  62   4.710  -6.565   3.536
   94   1HE   LYS  62          2HE       LYS  62   4.607  -8.189   5.127
   95   2HE   LYS  62          3HE       LYS  62   4.468  -6.875   6.311
   96   1HZ   LYS  62          3HZ       LYS  62   2.024  -6.838   5.644
   97   2HZ   LYS  62          1HZ       LYS  62   2.301  -8.368   4.959
   98   3HZ   LYS  62          2HZ       LYS  62   2.536  -8.125   6.624
   99    H    ASP  63           H        ASP  63   6.556  -2.686   5.181
  100    HA   ASP  63           HA       ASP  63   7.977  -2.487   2.548
  101   1HB   ASP  63          2HB       ASP  63   8.907  -1.831   5.363
  102   2HB   ASP  63          3HB       ASP  63   9.792  -1.503   3.873
  103    H    GLN  64           H        GLN  64   8.466  -4.582   1.957
  104    HA   GLN  64           HA       GLN  64   9.478  -6.444   4.071
  105   1HB   GLN  64          2HB       GLN  64   9.051  -7.731   1.537
  106   2HB   GLN  64          3HB       GLN  64   8.170  -7.970   3.040
  107   1HG   GLN  64          2HG       GLN  64   6.721  -6.021   2.469
  108   2HG   GLN  64          3HG       GLN  64   7.574  -5.869   0.931
  109   1HE2  GLN  64          1HE2      GLN  64   5.430  -8.212  -0.574
  110   2HE2  GLN  64          2HE2      GLN  64   6.353  -6.785  -0.716
  111    H    LEU  65           H        LEU  65  11.094  -8.131   2.877
  112    HA   LEU  65           HA       LEU  65  13.374  -6.484   2.014
  113   1HB   LEU  65          2HB       LEU  65  12.904  -9.380   2.724
  114   2HB   LEU  65          3HB       LEU  65  14.466  -8.813   2.134
  115    HG   LEU  65           HG       LEU  65  13.303  -7.164   4.288
  116   1HD1  LEU  65          1HD1      LEU  65  13.784 -10.096   4.601
  117   2HD1  LEU  65          2HD1      LEU  65  14.328  -9.033   5.900
  118   3HD1  LEU  65          3HD1      LEU  65  12.628  -9.054   5.430
  119   1HD2  LEU  65          3HD2      LEU  65  15.978  -8.401   3.609
  120   2HD2  LEU  65          1HD2      LEU  65  15.533  -6.695   3.591
  121   3HD2  LEU  65          2HD2      LEU  65  15.706  -7.546   5.127
  122    H    GLN  66           H        GLN  66  10.935  -8.376   0.533
  123    HA   GLN  66           HA       GLN  66  12.541  -8.724  -1.962
  124   1HB   GLN  66          2HB       GLN  66  10.747 -10.299  -2.550
  125   2HB   GLN  66          3HB       GLN  66  11.347 -10.657  -0.930
  126   1HG   GLN  66          2HG       GLN  66   9.421  -9.928   0.099
  127   2HG   GLN  66          3HG       GLN  66   9.087  -8.725  -1.146
  128   1HE2  GLN  66          1HE2      GLN  66   7.028 -12.068  -1.340
  129   2HE2  GLN  66          2HE2      GLN  66   7.681 -11.372   0.064
  130    H    SER  67           H        SER  67   9.961  -6.881  -0.564
  131    HA   SER  67           HA       SER  67   9.831  -5.002  -2.722
  132   1HB   SER  67          2HB       SER  67   8.748  -7.317  -3.500
  133   2HB   SER  67          3HB       SER  67   7.350  -6.682  -2.638
  134    HG   SER  67           HG       SER  67   7.766  -4.705  -3.921
  135    H    TYR  68           H        TYR  68   6.730  -4.971  -2.208
  136    HA   TYR  68           HA       TYR  68   6.547  -4.306   0.644
  137   1HB   TYR  68          2HB       TYR  68   6.190  -1.915   0.272
  138   2HB   TYR  68          3HB       TYR  68   7.733  -2.384  -0.440
  139    HD1  TYR  68           HD1      TYR  68   4.126  -1.860  -1.268
  140    HD2  TYR  68           HD2      TYR  68   8.160  -2.030  -2.733
  141    HE1  TYR  68           HE1      TYR  68   3.356  -1.042  -3.479
  142    HE2  TYR  68           HE2      TYR  68   7.391  -1.214  -4.946
  143    HH   TYR  68           HH       TYR  68   5.594  -0.082  -5.961
  144    H    ILE  69           H        ILE  69   4.336  -4.115   1.282
  145    HA   ILE  69           HA       ILE  69   2.311  -4.423  -0.907
  146    HB   ILE  69           HB       ILE  69   2.934  -6.134   1.479
  147   1HG1  ILE  69          2HG1      ILE  69   2.262  -6.548  -1.441
  148   2HG1  ILE  69          3HG1      ILE  69   3.782  -6.909  -0.620
  149   1HG2  ILE  69          3HG2      ILE  69   0.540  -5.412   1.700
  150   2HG2  ILE  69          1HG2      ILE  69   0.238  -6.059   0.087
  151   3HG2  ILE  69          2HG2      ILE  69   0.719  -7.140   1.396
  152   1HD1  ILE  69          3HD1      ILE  69   2.589  -8.610   0.761
  153   2HD1  ILE  69          1HD1      ILE  69   1.126  -8.298  -0.171
  154   3HD1  ILE  69          2HD1      ILE  69   2.544  -8.984  -0.963
  155    H    CYS  70           H        CYS  70   0.750  -2.897  -0.689
  156    HA   CYS  70           HA       CYS  70   0.537  -1.258   1.694
  157   1HB   CYS  70          2HB       CYS  70   0.003   0.065  -0.056
  158   2HB   CYS  70          3HB       CYS  70  -0.205  -1.328  -1.069
  159    H    PHE  71           H        PHE  71  -1.620  -0.869   2.668
  160    HA   PHE  71           HA       PHE  71  -3.450  -3.220   2.723
  161   1HB   PHE  71          2HB       PHE  71  -2.039  -1.899   5.066
  162   2HB   PHE  71          3HB       PHE  71  -3.357  -3.062   5.240
  163    HD1  PHE  71           HD1      PHE  71  -2.823  -5.020   3.155
  164    HD2  PHE  71           HD2      PHE  71  -0.077  -2.981   5.747
  165    HE1  PHE  71           HE1      PHE  71  -1.212  -6.891   2.916
  166    HE2  PHE  71           HE2      PHE  71   1.536  -4.852   5.513
  167    HZ   PHE  71           HZ       PHE  71   0.968  -6.807   4.095
  168    H    CYS  72           H        CYS  72  -5.556  -2.471   2.662
  169    HA   CYS  72           HA       CYS  72  -5.990   0.443   3.170
  170   1HB   CYS  72          2HB       CYS  72  -7.910  -1.468   1.850
  171   2HB   CYS  72          3HB       CYS  72  -7.749   0.269   1.602
  172    H    LEU  73           H        LEU  73  -8.780   0.309   3.500
  173    HA   LEU  73           HA       LEU  73  -8.983  -0.948   6.212
  174   1HB   LEU  73          2HB       LEU  73 -10.743   1.225   5.058
  175   2HB   LEU  73          3HB       LEU  73 -10.401   0.880   6.752
  176    HG   LEU  73           HG       LEU  73  -8.317   1.853   4.778
  177   1HD1  LEU  73          1HD1      LEU  73  -9.962   3.359   6.834
  178   2HD1  LEU  73          2HD1      LEU  73  -8.533   4.017   6.037
  179   3HD1  LEU  73          3HD1      LEU  73  -9.965   3.612   5.088
  180   1HD2  LEU  73          1HD2      LEU  73  -7.669   0.507   6.880
  181   2HD2  LEU  73          2HD2      LEU  73  -6.897   2.080   6.674
  182   3HD2  LEU  73          3HD2      LEU  73  -8.241   1.898   7.802
  183    HA   PRO  74           HA       PRO  74 -12.479  -3.380   5.130
  184   1HB   PRO  74          2HB       PRO  74 -14.493  -1.733   6.524
  185   2HB   PRO  74          3HB       PRO  74 -13.965  -3.392   6.871
  186   1HG   PRO  74          2HG       PRO  74 -13.329  -1.299   8.445
  187   2HG   PRO  74          3HG       PRO  74 -12.284  -2.714   8.249
  188   1HD   PRO  74          2HD       PRO  74 -12.007   0.010   7.094
  189   2HD   PRO  74          3HD       PRO  74 -10.751  -1.139   7.609
  190    H    ALA  75           H        ALA  75 -12.483  -0.069   4.334
  191    HA   ALA  75           HA       ALA  75 -14.942  -0.155   2.702
  192   1HB   ALA  75          1HB       ALA  75 -12.805   1.873   3.366
  193   2HB   ALA  75          2HB       ALA  75 -14.044   2.207   2.155
  194   3HB   ALA  75          3HB       ALA  75 -14.508   1.891   3.828
  195    H    PHE  76           H        PHE  76 -11.457  -0.443   2.269
  196    HA   PHE  76           HA       PHE  76 -11.919  -0.723  -0.676
  197   1HB   PHE  76          2HB       PHE  76  -9.341   0.176   0.622
  198   2HB   PHE  76          3HB       PHE  76  -9.870   0.420  -1.046
  199    HD1  PHE  76           HD1      PHE  76 -10.504   1.408   2.485
  200    HD2  PHE  76           HD2      PHE  76 -11.239   2.277  -1.657
  201    HE1  PHE  76           HE1      PHE  76 -11.518   3.580   3.121
  202    HE2  PHE  76           HE2      PHE  76 -12.255   4.447  -1.022
  203    HZ   PHE  76           HZ       PHE  76 -12.394   5.100   1.369
  204    H    GLU  77           H        GLU  77  -9.916  -2.002  -1.647
  205    HA   GLU  77           HA       GLU  77  -8.622  -3.950   0.084
  206   1HB   GLU  77          2HB       GLU  77 -11.271  -4.422  -0.393
  207   2HB   GLU  77          3HB       GLU  77 -10.533  -5.296  -1.735
  208   1HG   GLU  77          2HG       GLU  77  -8.961  -5.891   0.535
  209   2HG   GLU  77          3HG       GLU  77 -10.641  -6.030   1.055
  210    H    GLY  78           H        GLY  78  -6.704  -4.059  -1.022
  211   1HA   GLY  78          2HA       GLY  78  -6.292  -5.332  -3.447
  212   2HA   GLY  78          3HA       GLY  78  -6.550  -3.646  -3.896
  213    H    ARG  79           H        ARG  79  -4.093  -4.778  -4.420
  214    HA   ARG  79           HA       ARG  79  -2.109  -4.552  -2.387
  215   1HB   ARG  79          2HB       ARG  79  -1.977  -4.094  -5.386
  216   2HB   ARG  79          3HB       ARG  79  -0.588  -4.416  -4.346
  217   1HG   ARG  79          2HG       ARG  79  -1.234  -6.626  -3.941
  218   2HG   ARG  79          3HG       ARG  79  -2.923  -6.309  -4.341
  219   1HD   ARG  79          2HD       ARG  79  -2.031  -5.809  -6.742
  220   2HD   ARG  79          3HD       ARG  79  -0.589  -6.699  -6.213
  221    HE   ARG  79           HE       ARG  79  -3.231  -7.960  -5.718
  222   1HH1  ARG  79          1HH2      ARG  79  -1.243  -9.867  -5.367
  223   2HH1  ARG  79          2HH2      ARG  79  -0.934 -10.547  -6.929
  224   1HH2  ARG  79          1HH1      ARG  79  -2.419  -7.931  -8.653
  225   2HH2  ARG  79          2HH1      ARG  79  -1.600  -9.450  -8.790
  226    H    ASN  80           H        ASN  80  -4.006  -2.101  -3.801
  227    HA   ASN  80           HA       ASN  80  -2.299  -0.004  -2.563
  228   1HB   ASN  80          2HB       ASN  80  -2.860  -0.436  -5.491
  229   2HB   ASN  80          3HB       ASN  80  -2.707   1.216  -4.892
  230   1HD2  ASN  80          1HD2      ASN  80   0.602  -1.219  -4.899
  231   2HD2  ASN  80          2HD2      ASN  80  -0.950  -1.913  -5.030
  232    H    CYS  81           H        CYS  81  -5.153  -1.322  -2.501
  233    HA   CYS  81           HA       CYS  81  -7.328  -0.549  -1.978
  234   1HB   CYS  81          2HB       CYS  81  -6.047   2.196  -2.019
  235   2HB   CYS  81          3HB       CYS  81  -7.458   1.679  -1.094
  236    H    GLU  82           H        GLU  82  -5.928  -0.329  -4.805
  237    HA   GLU  82           HA       GLU  82  -7.239   1.756  -6.260
  238   1HB   GLU  82          2HB       GLU  82  -5.424   0.765  -7.331
  239   2HB   GLU  82          3HB       GLU  82  -5.884  -0.862  -6.823
  240   1HG   GLU  82          2HG       GLU  82  -7.830  -0.748  -8.395
  241   2HG   GLU  82          3HG       GLU  82  -7.239   0.815  -8.959
  242    H    THR  83           H        THR  83  -8.533  -1.024  -4.774
  243    HA   THR  83           HA       THR  83 -10.930  -0.952  -6.580
  244    HB   THR  83           HB       THR  83  -9.583  -3.131  -4.971
  245    HG1  THR  83           HG1      THR  83 -10.475  -3.355  -7.603
  246   1HG2  THR  83          1HG2      THR  83 -12.407  -2.798  -5.541
  247   2HG2  THR  83          2HG2      THR  83 -11.769  -4.238  -6.337
  248   3HG2  THR  83          3HG2      THR  83 -11.602  -4.048  -4.592
  249    H    HIS  84           H        HIS  84 -11.567   0.931  -5.087
  250    HA   HIS  84           HA       HIS  84 -12.093   0.493  -2.297
  251   1HB   HIS  84          2HB       HIS  84 -13.044   2.643  -2.421
  252   2HB   HIS  84          3HB       HIS  84 -11.905   2.648  -3.763
  253    HD1  HIS  84           HD1      HIS  84 -12.911   2.405  -6.185
  254    HD2  HIS  84           HD2      HIS  84 -15.759   2.777  -3.162
  255    HE1  HIS  84           HE1      HIS  84 -15.111   2.914  -7.332
  256    H    LYS  85           H        LYS  85 -13.548  -0.971  -1.527
  257    HA   LYS  85           HA       LYS  85 -15.494  -2.384  -2.978
  258   1HB   LYS  85          2HB       LYS  85 -15.348  -1.539  -0.066
  259   2HB   LYS  85          3HB       LYS  85 -16.457  -2.771  -0.674
  260   1HG   LYS  85          2HG       LYS  85 -14.813  -4.323  -0.886
  261   2HG   LYS  85          3HG       LYS  85 -13.659  -3.147  -1.519
  262   1HD   LYS  85          2HD       LYS  85 -12.658  -3.069   0.491
  263   2HD   LYS  85          3HD       LYS  85 -14.154  -2.459   1.197
  264   1HE   LYS  85          2HE       LYS  85 -13.233  -4.639   2.211
  265   2HE   LYS  85          3HE       LYS  85 -14.929  -4.689   1.690
  266   1HZ   LYS  85          1HZ       LYS  85 -12.960  -5.239  -0.371
  267   2HZ   LYS  85          2HZ       LYS  85 -13.083  -6.423   0.842
  268   3HZ   LYS  85          3HZ       LYS  85 -14.451  -5.990  -0.069
   
  No H/Q in entry =         268
  Start of MODEL    4
    1   1H    SER  45          1H        SER  45   9.475   8.264   7.081
    2   2H    SER  45          3H        SER  45   8.373   7.013   7.410
    3   3H    SER  45          2H        SER  45   9.620   7.362   8.510
    4    HA   SER  45           HA       SER  45  11.267   6.446   7.153
    5   1HB   SER  45          2HB       SER  45   8.631   5.031   7.284
    6   2HB   SER  45          3HB       SER  45   9.935   4.272   6.376
    7    HG   SER  45           HG       SER  45  10.720   3.702   8.228
    8    H    ASP  46           H        ASP  46  12.164   6.658   5.138
    9    HA   ASP  46           HA       ASP  46  10.379   6.608   2.745
   10   1HB   ASP  46          2HB       ASP  46  11.859   8.861   3.918
   11   2HB   ASP  46          3HB       ASP  46  12.198   8.622   2.203
   12    H    GLY  47           H        GLY  47  11.253   5.007   1.487
   13   1HA   GLY  47          2HA       GLY  47  14.213   4.983   1.126
   14   2HA   GLY  47          3HA       GLY  47  13.371   3.475   1.489
   15    H    ASP  48           H        ASP  48  11.189   3.450  -0.050
   16    HA   ASP  48           HA       ASP  48  11.528   4.441  -2.742
   17   1HB   ASP  48          2HB       ASP  48  12.979   2.069  -1.890
   18   2HB   ASP  48          3HB       ASP  48  11.891   1.700  -3.228
   19    H    GLN  49           H        GLN  49  10.586   1.114  -1.992
   20    HA   GLN  49           HA       GLN  49   8.120   1.079  -3.260
   21   1HB   GLN  49          2HB       GLN  49   8.619  -0.190  -0.574
   22   2HB   GLN  49          3HB       GLN  49   7.619  -0.812  -1.873
   23   1HG   GLN  49          2HG       GLN  49  10.633  -0.689  -1.716
   24   2HG   GLN  49          3HG       GLN  49   9.606  -2.091  -2.001
   25   1HE2  GLN  49          1HE2      GLN  49   8.783  -0.500  -5.353
   26   2HE2  GLN  49          2HE2      GLN  49   7.862  -0.683  -3.936
   27    H    CYS  50           H        CYS  50   8.498   1.678   0.245
   28    HA   CYS  50           HA       CYS  50   5.800   2.796   0.453
   29   1HB   CYS  50          2HB       CYS  50   8.100   2.078   2.180
   30   2HB   CYS  50          3HB       CYS  50   7.099   3.398   2.782
   31    H    ALA  51           H        ALA  51   8.903   3.992  -0.392
   32    HA   ALA  51           HA       ALA  51   8.774   6.669   0.624
   33   1HB   ALA  51          1HB       ALA  51  10.081   5.444  -1.830
   34   2HB   ALA  51          2HB       ALA  51  10.460   7.047  -1.197
   35   3HB   ALA  51          3HB       ALA  51  10.808   5.613  -0.232
   36    H    SER  52           H        SER  52   7.213   5.083  -2.073
   37    HA   SER  52           HA       SER  52   6.334   7.690  -3.219
   38   1HB   SER  52          2HB       SER  52   7.308   5.623  -4.486
   39   2HB   SER  52          3HB       SER  52   5.705   4.930  -4.258
   40    HG   SER  52           HG       SER  52   6.285   6.364  -6.210
   41    H    SER  53           H        SER  53   5.277   5.281  -1.057
   42    HA   SER  53           HA       SER  53   3.209   5.036   0.071
   43   1HB   SER  53          2HB       SER  53   2.041   7.275  -1.519
   44   2HB   SER  53          3HB       SER  53   1.974   6.982   0.217
   45    HG   SER  53           HG       SER  53   3.396   8.749  -0.676
   46    HA   PRO  54           HA       PRO  54   1.728   2.969  -3.820
   47   1HB   PRO  54          2HB       PRO  54   1.534   0.487  -2.601
   48   2HB   PRO  54          3HB       PRO  54   2.963   1.058  -3.486
   49   1HG   PRO  54          2HG       PRO  54   2.474   0.932  -0.564
   50   2HG   PRO  54          3HG       PRO  54   3.976   0.704  -1.472
   51   1HD   PRO  54          2HD       PRO  54   3.387   2.972  -0.084
   52   2HD   PRO  54          3HD       PRO  54   4.446   2.941  -1.511
   53    H    CYS  55           H        CYS  55   0.701   1.845  -0.569
   54    HA   CYS  55           HA       CYS  55  -2.018   1.368  -1.156
   55   1HB   CYS  55          2HB       CYS  55  -0.348   1.195   0.990
   56   2HB   CYS  55          3HB       CYS  55  -1.345   2.568   1.473
   57    H    GLN  56           H        GLN  56  -3.885   2.715  -0.994
   58    HA   GLN  56           HA       GLN  56  -3.428   5.641  -0.661
   59   1HB   GLN  56          2HB       GLN  56  -4.854   4.205  -2.921
   60   2HB   GLN  56          3HB       GLN  56  -4.847   5.956  -2.701
   61   1HG   GLN  56          2HG       GLN  56  -2.491   6.089  -3.041
   62   2HG   GLN  56          3HG       GLN  56  -2.303   4.341  -2.897
   63   1HE2  GLN  56          1HE2      GLN  56  -3.804   3.769  -6.195
   64   2HE2  GLN  56          2HE2      GLN  56  -3.911   3.148  -4.609
   65    H    ASN  57           H        ASN  57  -5.795   6.699  -0.819
   66    HA   ASN  57           HA       ASN  57  -7.893   6.928   0.242
   67   1HB   ASN  57          2HB       ASN  57  -7.862   3.908  -0.065
   68   2HB   ASN  57          3HB       ASN  57  -9.289   4.936   0.074
   69   1HD2  ASN  57          1HD2      ASN  57  -8.052   4.213  -3.573
   70   2HD2  ASN  57          2HD2      ASN  57  -7.908   3.186  -2.218
   71    H    GLY  58           H        GLY  58  -5.604   6.770   1.966
   72   1HA   GLY  58          2HA       GLY  58  -5.342   6.716   4.315
   73   2HA   GLY  58          3HA       GLY  58  -6.938   5.978   4.442
   74    H    GLY  59           H        GLY  59  -4.968   4.381   2.176
   75   1HA   GLY  59          2HA       GLY  59  -4.737   2.077   3.998
   76   2HA   GLY  59          3HA       GLY  59  -4.353   2.078   2.273
   77    H    SER  60           H        SER  60  -2.758   1.209   4.712
   78    HA   SER  60           HA       SER  60  -0.468   3.093   4.670
   79   1HB   SER  60          2HB       SER  60  -0.885   0.460   6.120
   80   2HB   SER  60          3HB       SER  60   0.326   1.683   6.495
   81    HG   SER  60           HG       SER  60  -2.267   1.533   7.238
   82    H    CYS  61           H        CYS  61   1.768   1.967   4.454
   83    HA   CYS  61           HA       CYS  61   1.643  -0.113   2.294
   84   1HB   CYS  61          2HB       CYS  61   3.388   1.083   1.160
   85   2HB   CYS  61          3HB       CYS  61   2.201   2.295   1.642
   86    H    LYS  62           H        LYS  62   3.021  -1.860   2.579
   87    HA   LYS  62           HA       LYS  62   4.661  -1.884   5.076
   88   1HB   LYS  62          2HB       LYS  62   2.882  -3.592   4.682
   89   2HB   LYS  62          3HB       LYS  62   3.743  -4.116   3.236
   90   1HG   LYS  62          2HG       LYS  62   5.781  -4.421   4.804
   91   2HG   LYS  62          3HG       LYS  62   4.601  -4.354   6.114
   92   1HD   LYS  62          2HD       LYS  62   3.306  -6.138   4.728
   93   2HD   LYS  62          3HD       LYS  62   4.846  -6.382   3.902
   94   1HE   LYS  62          2HE       LYS  62   5.846  -6.574   6.310
   95   2HE   LYS  62          3HE       LYS  62   4.167  -6.876   6.798
   96   1HZ   LYS  62          3HZ       LYS  62   4.112  -8.479   4.847
   97   2HZ   LYS  62          1HZ       LYS  62   5.808  -8.382   4.849
   98   3HZ   LYS  62          2HZ       LYS  62   4.993  -8.974   6.213
   99    H    ASP  63           H        ASP  63   6.880  -2.371   4.983
  100    HA   ASP  63           HA       ASP  63   8.087  -2.408   2.238
  101   1HB   ASP  63          2HB       ASP  63   8.950  -1.257   4.900
  102   2HB   ASP  63          3HB       ASP  63  10.063  -1.416   3.541
  103    H    GLN  64           H        GLN  64   8.642  -4.522   1.824
  104    HA   GLN  64           HA       GLN  64   9.828  -6.138   4.048
  105   1HB   GLN  64          2HB       GLN  64   9.309  -7.681   1.681
  106   2HB   GLN  64          3HB       GLN  64   8.514  -7.791   3.246
  107   1HG   GLN  64          2HG       GLN  64   6.988  -5.935   2.559
  108   2HG   GLN  64          3HG       GLN  64   7.746  -5.943   0.966
  109   1HE2  GLN  64          1HE2      GLN  64   5.486  -8.420  -0.103
  110   2HE2  GLN  64          2HE2      GLN  64   6.296  -6.956  -0.435
  111    H    LEU  65           H        LEU  65  11.390  -7.921   2.857
  112    HA   LEU  65           HA       LEU  65  13.584  -6.298   1.739
  113   1HB   LEU  65          2HB       LEU  65  13.577  -8.188   3.569
  114   2HB   LEU  65          3HB       LEU  65  13.623  -9.269   2.176
  115    HG   LEU  65           HG       LEU  65  15.519  -7.144   1.778
  116   1HD1  LEU  65          1HD1      LEU  65  15.730  -8.651   4.400
  117   2HD1  LEU  65          2HD1      LEU  65  17.055  -7.747   3.667
  118   3HD1  LEU  65          3HD1      LEU  65  15.599  -6.905   4.195
  119   1HD2  LEU  65          3HD2      LEU  65  15.498 -10.136   2.006
  120   2HD2  LEU  65          1HD2      LEU  65  15.952  -9.125   0.634
  121   3HD2  LEU  65          2HD2      LEU  65  17.049  -9.297   2.004
  122    H    GLN  66           H        GLN  66  11.096  -8.341   0.586
  123    HA   GLN  66           HA       GLN  66  12.541  -8.871  -1.977
  124   1HB   GLN  66          2HB       GLN  66  10.841 -10.575  -2.288
  125   2HB   GLN  66          3HB       GLN  66  11.436 -10.705  -0.632
  126   1HG   GLN  66          2HG       GLN  66   9.519  -9.381   0.170
  127   2HG   GLN  66          3HG       GLN  66   8.923  -9.236  -1.484
  128   1HE2  GLN  66          1HE2      GLN  66   8.330 -12.917  -1.581
  129   2HE2  GLN  66          2HE2      GLN  66   9.256 -11.818  -2.484
  130    H    SER  67           H        SER  67   9.963  -7.013  -0.561
  131    HA   SER  67           HA       SER  67   9.645  -5.321  -2.855
  132   1HB   SER  67          2HB       SER  67   8.623  -7.688  -3.427
  133   2HB   SER  67          3HB       SER  67   7.273  -7.125  -2.446
  134    HG   SER  67           HG       SER  67   8.140  -6.314  -4.938
  135    H    TYR  68           H        TYR  68   6.557  -5.436  -2.073
  136    HA   TYR  68           HA       TYR  68   6.594  -4.428   0.686
  137   1HB   TYR  68          2HB       TYR  68   5.885  -2.145  -0.014
  138   2HB   TYR  68          3HB       TYR  68   7.497  -2.546  -0.615
  139    HD1  TYR  68           HD1      TYR  68   3.935  -2.152  -1.530
  140    HD2  TYR  68           HD2      TYR  68   7.910  -2.903  -2.974
  141    HE1  TYR  68           HE1      TYR  68   3.160  -1.781  -3.857
  142    HE2  TYR  68           HE2      TYR  68   7.133  -2.536  -5.302
  143    HH   TYR  68           HH       TYR  68   4.764  -0.997  -6.226
  144    H    ILE  69           H        ILE  69   4.395  -4.159   1.488
  145    HA   ILE  69           HA       ILE  69   2.235  -4.937  -0.429
  146    HB   ILE  69           HB       ILE  69   3.176  -6.267   2.089
  147   1HG1  ILE  69          2HG1      ILE  69   2.257  -7.118  -0.665
  148   2HG1  ILE  69          3HG1      ILE  69   3.879  -7.251   0.017
  149   1HG2  ILE  69          3HG2      ILE  69   0.769  -5.661   2.449
  150   2HG2  ILE  69          1HG2      ILE  69   0.368  -6.524   0.964
  151   3HG2  ILE  69          2HG2      ILE  69   1.032  -7.401   2.344
  152   1HD1  ILE  69          3HD1      ILE  69   2.848  -8.753   1.809
  153   2HD1  ILE  69          1HD1      ILE  69   1.408  -8.804   0.793
  154   3HD1  ILE  69          2HD1      ILE  69   2.937  -9.435   0.185
  155    H    CYS  70           H        CYS  70   0.693  -3.390  -0.311
  156    HA   CYS  70           HA       CYS  70   0.503  -1.550   1.931
  157   1HB   CYS  70          2HB       CYS  70  -0.088  -0.403   0.080
  158   2HB   CYS  70          3HB       CYS  70  -0.340  -1.883  -0.801
  159    H    PHE  71           H        PHE  71  -1.747  -1.153   2.860
  160    HA   PHE  71           HA       PHE  71  -3.455  -3.561   3.126
  161   1HB   PHE  71          2HB       PHE  71  -1.851  -2.220   5.322
  162   2HB   PHE  71          3HB       PHE  71  -3.238  -3.261   5.667
  163    HD1  PHE  71           HD1      PHE  71  -3.208  -5.571   4.288
  164    HD2  PHE  71           HD2      PHE  71   0.248  -3.221   5.281
  165    HE1  PHE  71           HE1      PHE  71  -1.769  -7.576   4.028
  166    HE2  PHE  71           HE2      PHE  71   1.686  -5.226   5.022
  167    HZ   PHE  71           HZ       PHE  71   0.677  -7.403   4.395
  168    H    CYS  72           H        CYS  72  -5.200  -2.349   2.261
  169    HA   CYS  72           HA       CYS  72  -5.840   0.345   3.143
  170   1HB   CYS  72          2HB       CYS  72  -7.669  -1.659   1.810
  171   2HB   CYS  72          3HB       CYS  72  -7.683   0.096   1.645
  172    H    LEU  73           H        LEU  73  -8.637   0.119   3.499
  173    HA   LEU  73           HA       LEU  73  -8.789  -1.236   6.173
  174   1HB   LEU  73          2HB       LEU  73 -10.475   1.089   5.231
  175   2HB   LEU  73          3HB       LEU  73 -10.094   0.614   6.885
  176    HG   LEU  73           HG       LEU  73  -7.588   1.056   5.833
  177   1HD1  LEU  73          3HD1      LEU  73  -8.651   1.973   3.761
  178   2HD1  LEU  73          1HD1      LEU  73  -9.442   3.203   4.748
  179   3HD1  LEU  73          2HD1      LEU  73  -7.683   3.173   4.617
  180   1HD2  LEU  73          3HD2      LEU  73  -9.465   2.966   7.265
  181   2HD2  LEU  73          1HD2      LEU  73  -8.327   1.843   8.012
  182   3HD2  LEU  73          2HD2      LEU  73  -7.729   3.229   7.100
  183    HA   PRO  74           HA       PRO  74 -12.430  -3.415   5.025
  184   1HB   PRO  74          2HB       PRO  74 -14.311  -1.819   6.640
  185   2HB   PRO  74          3HB       PRO  74 -13.830  -3.517   6.832
  186   1HG   PRO  74          2HG       PRO  74 -13.054  -1.570   8.532
  187   2HG   PRO  74          3HG       PRO  74 -12.081  -3.009   8.195
  188   1HD   PRO  74          2HD       PRO  74 -11.721  -0.220   7.235
  189   2HD   PRO  74          3HD       PRO  74 -10.503  -1.459   7.610
  190    H    ALA  75           H        ALA  75 -12.298  -0.050   4.537
  191    HA   ALA  75           HA       ALA  75 -14.816   0.144   3.009
  192   1HB   ALA  75          1HB       ALA  75 -12.518   2.020   3.636
  193   2HB   ALA  75          2HB       ALA  75 -13.938   2.501   2.707
  194   3HB   ALA  75          3HB       ALA  75 -14.112   2.003   4.390
  195    H    PHE  76           H        PHE  76 -11.338  -0.135   2.404
  196    HA   PHE  76           HA       PHE  76 -11.922  -0.159  -0.532
  197   1HB   PHE  76          2HB       PHE  76  -9.328   0.529   0.875
  198   2HB   PHE  76          3HB       PHE  76  -9.723   0.799  -0.826
  199    HD1  PHE  76           HD1      PHE  76 -10.352   1.901   2.643
  200    HD2  PHE  76           HD2      PHE  76 -11.186   2.607  -1.511
  201    HE1  PHE  76           HE1      PHE  76 -11.317   4.112   3.212
  202    HE2  PHE  76           HE2      PHE  76 -12.152   4.817  -0.944
  203    HZ   PHE  76           HZ       PHE  76 -12.216   5.572   1.421
  204    H    GLU  77           H        GLU  77  -9.872  -1.344  -1.629
  205    HA   GLU  77           HA       GLU  77  -8.763  -3.603  -0.166
  206   1HB   GLU  77          2HB       GLU  77 -11.339  -3.955  -0.710
  207   2HB   GLU  77          3HB       GLU  77 -10.719  -4.370  -2.309
  208   1HG   GLU  77          2HG       GLU  77  -9.018  -5.834  -0.864
  209   2HG   GLU  77          3HG       GLU  77 -10.347  -5.786   0.295
  210    H    GLY  78           H        GLY  78  -7.300  -4.839  -1.555
  211   1HA   GLY  78          2HA       GLY  78  -6.571  -5.228  -3.948
  212   2HA   GLY  78          3HA       GLY  78  -6.767  -3.489  -4.173
  213    H    ARG  79           H        ARG  79  -4.318  -4.748  -4.693
  214    HA   ARG  79           HA       ARG  79  -2.429  -4.808  -2.583
  215   1HB   ARG  79          2HB       ARG  79  -2.043  -5.655  -4.844
  216   2HB   ARG  79          3HB       ARG  79  -2.173  -4.023  -5.502
  217   1HG   ARG  79          2HG       ARG  79  -0.215  -3.347  -4.103
  218   2HG   ARG  79          3HG       ARG  79  -0.050  -5.025  -3.583
  219   1HD   ARG  79          2HD       ARG  79  -0.247  -4.988  -6.450
  220   2HD   ARG  79          3HD       ARG  79   1.014  -3.846  -5.945
  221    HE   ARG  79           HE       ARG  79   0.936  -6.733  -5.180
  222   1HH1  ARG  79          1HH1      ARG  79   2.779  -4.339  -6.582
  223   2HH1  ARG  79          2HH1      ARG  79   4.216  -4.646  -5.668
  224   1HH2  ARG  79          1HH2      ARG  79   2.675  -6.857  -3.485
  225   2HH2  ARG  79          2HH2      ARG  79   4.158  -6.071  -3.914
  226    H    ASN  80           H        ASN  80  -4.120  -2.102  -3.857
  227    HA   ASN  80           HA       ASN  80  -2.451  -0.271  -2.220
  228   1HB   ASN  80          2HB       ASN  80  -2.956   0.059  -5.201
  229   2HB   ASN  80          3HB       ASN  80  -2.094   1.207  -4.173
  230   1HD2  ASN  80          1HD2      ASN  80   0.728  -1.091  -3.733
  231   2HD2  ASN  80          2HD2      ASN  80  -0.254  -0.064  -2.789
  232    H    CYS  81           H        CYS  81  -5.310  -1.322  -2.326
  233    HA   CYS  81           HA       CYS  81  -7.450  -0.409  -1.872
  234   1HB   CYS  81          2HB       CYS  81  -6.068   2.281  -1.975
  235   2HB   CYS  81          3HB       CYS  81  -7.471   1.815  -1.015
  236    H    GLU  82           H        GLU  82  -5.855  -0.198  -4.670
  237    HA   GLU  82           HA       GLU  82  -7.117   1.875  -6.173
  238   1HB   GLU  82          2HB       GLU  82  -5.243   0.889  -7.152
  239   2HB   GLU  82          3HB       GLU  82  -5.742  -0.743  -6.702
  240   1HG   GLU  82          2HG       GLU  82  -7.604  -0.578  -8.370
  241   2HG   GLU  82          3HG       GLU  82  -6.966   0.988  -8.873
  242    H    THR  83           H        THR  83  -8.441  -0.955  -4.795
  243    HA   THR  83           HA       THR  83 -10.730  -0.933  -6.730
  244    HB   THR  83           HB       THR  83  -9.917  -3.050  -4.717
  245    HG1  THR  83           HG1      THR  83  -8.283  -3.173  -6.064
  246   1HG2  THR  83          1HG2      THR  83 -12.176  -2.694  -6.428
  247   2HG2  THR  83          2HG2      THR  83 -11.228  -4.048  -7.045
  248   3HG2  THR  83          3HG2      THR  83 -11.807  -4.063  -5.379
  249    H    HIS  84           H        HIS  84 -11.246   1.110  -5.264
  250    HA   HIS  84           HA       HIS  84 -12.025   1.017  -2.585
  251   1HB   HIS  84          2HB       HIS  84 -12.086   3.067  -3.799
  252   2HB   HIS  84          3HB       HIS  84 -13.159   2.395  -5.027
  253    HD1  HIS  84           HD1      HIS  84 -15.527   3.089  -4.743
  254    HD2  HIS  84           HD2      HIS  84 -13.534   2.961  -1.084
  255    HE1  HIS  84           HE1      HIS  84 -17.200   3.824  -2.989
  256    H    LYS  85           H        LYS  85 -13.678   0.000  -1.475
  257    HA   LYS  85           HA       LYS  85 -15.299  -2.010  -2.793
  258   1HB   LYS  85          2HB       LYS  85 -15.535  -0.780  -0.027
  259   2HB   LYS  85          3HB       LYS  85 -16.135  -2.364  -0.528
  260   1HG   LYS  85          2HG       LYS  85 -13.798  -3.055  -1.041
  261   2HG   LYS  85          3HG       LYS  85 -13.229  -1.496  -0.439
  262   1HD   LYS  85          2HD       LYS  85 -13.412  -2.159   1.712
  263   2HD   LYS  85          3HD       LYS  85 -15.031  -2.806   1.448
  264   1HE   LYS  85          2HE       LYS  85 -13.629  -4.696   0.140
  265   2HE   LYS  85          3HE       LYS  85 -12.398  -4.199   1.317
  266   1HZ   LYS  85          3HZ       LYS  85 -14.136  -4.357   3.053
  267   2HZ   LYS  85          1HZ       LYS  85 -15.193  -5.017   1.903
  268   3HZ   LYS  85          2HZ       LYS  85 -13.778  -5.853   2.333
   
  No H/Q in entry =         268
  Start of MODEL    5
    1   1H    SER  45          1H        SER  45  10.856   5.877   5.158
    2   2H    SER  45          3H        SER  45   9.967   6.894   6.185
    3   3H    SER  45          2H        SER  45  10.251   7.353   4.574
    4    HA   SER  45           HA       SER  45  11.878   8.594   5.557
    5   1HB   SER  45          2HB       SER  45  10.962   7.413   7.738
    6   2HB   SER  45          3HB       SER  45  12.428   6.448   7.585
    7    HG   SER  45           HG       SER  45  12.384   9.283   7.514
    8    H    ASP  46           H        ASP  46  12.488   7.328   3.341
    9    HA   ASP  46           HA       ASP  46  15.273   6.680   3.514
   10   1HB   ASP  46          2HB       ASP  46  14.837   4.179   2.851
   11   2HB   ASP  46          3HB       ASP  46  14.724   4.641   4.548
   12    H    GLY  47           H        GLY  47  13.523   4.566   1.400
   13   1HA   GLY  47          2HA       GLY  47  12.737   6.106  -0.751
   14   2HA   GLY  47          3HA       GLY  47  14.490   6.021  -0.929
   15    H    ASP  48           H        ASP  48  11.529   4.325  -1.359
   16    HA   ASP  48           HA       ASP  48  12.761   2.270  -2.960
   17   1HB   ASP  48          2HB       ASP  48  12.623   1.927  -0.073
   18   2HB   ASP  48          3HB       ASP  48  11.739   0.649  -0.907
   19    H    GLN  49           H        GLN  49  10.136   1.657  -0.667
   20    HA   GLN  49           HA       GLN  49   8.207   1.755  -2.961
   21   1HB   GLN  49          2HB       GLN  49   8.153   0.020  -0.490
   22   2HB   GLN  49          3HB       GLN  49   7.114  -0.132  -1.906
   23   1HG   GLN  49          2HG       GLN  49   8.691  -1.262  -3.073
   24   2HG   GLN  49          3HG       GLN  49   9.971  -0.156  -2.569
   25   1HE2  GLN  49          1HE2      GLN  49  10.239  -2.083   0.652
   26   2HE2  GLN  49          2HE2      GLN  49   9.794  -0.483   0.262
   27    H    CYS  50           H        CYS  50   8.199   1.785   0.624
   28    HA   CYS  50           HA       CYS  50   5.749   3.382   0.708
   29   1HB   CYS  50          2HB       CYS  50   7.764   2.450   2.776
   30   2HB   CYS  50          3HB       CYS  50   6.248   3.258   3.175
   31    H    ALA  51           H        ALA  51   8.757   4.279  -0.171
   32    HA   ALA  51           HA       ALA  51   9.204   6.612   1.522
   33   1HB   ALA  51          3HB       ALA  51  10.956   5.308   0.302
   34   2HB   ALA  51          1HB       ALA  51  10.276   5.876  -1.223
   35   3HB   ALA  51          2HB       ALA  51  10.998   7.026  -0.097
   36    H    SER  52           H        SER  52   6.814   5.999  -0.670
   37    HA   SER  52           HA       SER  52   6.397   8.897  -1.180
   38   1HB   SER  52          2HB       SER  52   6.464   6.769  -3.343
   39   2HB   SER  52          3HB       SER  52   6.143   8.483  -3.588
   40    HG   SER  52           HG       SER  52   8.531   7.205  -2.777
   41    H    SER  53           H        SER  53   5.130   6.395   0.224
   42    HA   SER  53           HA       SER  53   2.935   5.614   0.628
   43   1HB   SER  53          2HB       SER  53   2.870   8.204   0.792
   44   2HB   SER  53          3HB       SER  53   2.086   8.146  -0.784
   45    HG   SER  53           HG       SER  53   1.241   6.944   1.645
   46    HA   PRO  54           HA       PRO  54   2.510   4.401  -3.835
   47   1HB   PRO  54          2HB       PRO  54   3.006   1.737  -3.476
   48   2HB   PRO  54          3HB       PRO  54   4.295   2.927  -3.756
   49   1HG   PRO  54          2HG       PRO  54   3.421   1.642  -1.226
   50   2HG   PRO  54          3HG       PRO  54   5.044   2.107  -1.756
   51   1HD   PRO  54          2HD       PRO  54   3.512   3.537   0.031
   52   2HD   PRO  54          3HD       PRO  54   4.835   4.221  -0.939
   53    H    CYS  55           H        CYS  55   0.938   3.983  -0.943
   54    HA   CYS  55           HA       CYS  55  -1.081   2.046  -1.954
   55   1HB   CYS  55          2HB       CYS  55  -1.057   3.454   0.718
   56   2HB   CYS  55          3HB       CYS  55  -1.719   1.868   0.322
   57    H    GLN  56           H        GLN  56  -3.430   2.698  -1.589
   58    HA   GLN  56           HA       GLN  56  -3.829   5.633  -2.000
   59   1HB   GLN  56          2HB       GLN  56  -5.025   3.260  -3.454
   60   2HB   GLN  56          3HB       GLN  56  -5.603   4.916  -3.651
   61   1HG   GLN  56          2HG       GLN  56  -3.377   5.623  -4.404
   62   2HG   GLN  56          3HG       GLN  56  -2.766   3.984  -4.172
   63   1HE2  GLN  56          1HE2      GLN  56  -5.175   2.884  -6.884
   64   2HE2  GLN  56          2HE2      GLN  56  -5.111   2.591  -5.204
   65    H    ASN  57           H        ASN  57  -6.239   6.187  -1.677
   66    HA   ASN  57           HA       ASN  57  -8.089   6.266  -0.209
   67   1HB   ASN  57          2HB       ASN  57  -7.509   3.297  -0.392
   68   2HB   ASN  57          3HB       ASN  57  -8.974   3.963   0.327
   69   1HD2  ASN  57          1HD2      ASN  57  -8.784   3.580  -3.661
   70   2HD2  ASN  57          2HD2      ASN  57  -7.658   2.863  -2.600
   71    H    GLY  58           H        GLY  58  -5.520   6.714   0.989
   72   1HA   GLY  58          2HA       GLY  58  -4.506   6.795   3.102
   73   2HA   GLY  58          3HA       GLY  58  -6.127   6.524   3.741
   74    H    GLY  59           H        GLY  59  -4.555   4.211   1.610
   75   1HA   GLY  59          2HA       GLY  59  -4.869   2.127   3.635
   76   2HA   GLY  59          3HA       GLY  59  -4.204   1.901   2.012
   77    H    SER  60           H        SER  60  -3.052   0.835   4.448
   78    HA   SER  60           HA       SER  60  -0.765   2.503   5.193
   79   1HB   SER  60          2HB       SER  60  -2.185   0.352   6.234
   80   2HB   SER  60          3HB       SER  60  -0.643  -0.367   5.774
   81    HG   SER  60           HG       SER  60   0.366   1.352   6.950
   82    H    CYS  61           H        CYS  61   1.504   1.576   4.940
   83    HA   CYS  61           HA       CYS  61   1.811   0.184   2.297
   84   1HB   CYS  61          2HB       CYS  61   2.284   2.653   2.301
   85   2HB   CYS  61          3HB       CYS  61   3.542   2.366   3.502
   86    H    LYS  62           H        LYS  62   2.587  -1.845   2.829
   87    HA   LYS  62           HA       LYS  62   4.371  -2.180   5.174
   88   1HB   LYS  62          2HB       LYS  62   2.449  -3.709   4.629
   89   2HB   LYS  62          3HB       LYS  62   3.316  -4.194   3.170
   90   1HG   LYS  62          2HG       LYS  62   5.239  -4.908   4.581
   91   2HG   LYS  62          3HG       LYS  62   4.293  -4.519   6.020
   92   1HD   LYS  62          2HD       LYS  62   2.498  -6.089   4.975
   93   2HD   LYS  62          3HD       LYS  62   3.831  -6.692   3.991
   94   1HE   LYS  62          2HE       LYS  62   4.654  -7.893   5.730
   95   2HE   LYS  62          3HE       LYS  62   4.599  -6.478   6.800
   96   1HZ   LYS  62          1HZ       LYS  62   2.110  -7.830   5.981
   97   2HZ   LYS  62          2HZ       LYS  62   3.020  -8.442   7.278
   98   3HZ   LYS  62          3HZ       LYS  62   2.398  -6.862   7.343
   99    H    ASP  63           H        ASP  63   6.519  -2.937   4.992
  100    HA   ASP  63           HA       ASP  63   7.715  -2.733   2.248
  101   1HB   ASP  63          2HB       ASP  63   8.353  -0.971   3.859
  102   2HB   ASP  63          3HB       ASP  63   8.884  -2.206   5.002
  103    H    GLN  64           H        GLN  64   8.030  -4.822   1.547
  104    HA   GLN  64           HA       GLN  64   9.009  -6.851   3.517
  105   1HB   GLN  64          2HB       GLN  64   8.378  -7.978   0.953
  106   2HB   GLN  64          3HB       GLN  64   7.544  -8.223   2.481
  107   1HG   GLN  64          2HG       GLN  64   6.231  -6.139   2.060
  108   2HG   GLN  64          3HG       GLN  64   7.019  -5.997   0.487
  109   1HE2  GLN  64          1HE2      GLN  64   4.110  -8.827   1.039
  110   2HE2  GLN  64          2HE2      GLN  64   4.758  -7.994   2.380
  111    H    LEU  65           H        LEU  65  10.436  -8.589   2.162
  112    HA   LEU  65           HA       LEU  65  12.804  -7.083   1.295
  113   1HB   LEU  65          2HB       LEU  65  12.115  -9.988   1.764
  114   2HB   LEU  65          3HB       LEU  65  13.703  -9.480   1.191
  115    HG   LEU  65           HG       LEU  65  13.819  -7.929   3.191
  116   1HD1  LEU  65          1HD1      LEU  65  11.224  -9.339   3.711
  117   2HD1  LEU  65          2HD1      LEU  65  12.237  -8.883   5.082
  118   3HD1  LEU  65          3HD1      LEU  65  11.645  -7.647   3.971
  119   1HD2  LEU  65          3HD2      LEU  65  13.556 -10.915   3.663
  120   2HD2  LEU  65          1HD2      LEU  65  15.022 -10.051   3.200
  121   3HD2  LEU  65          2HD2      LEU  65  14.311  -9.791   4.793
  122    H    GLN  66           H        GLN  66  10.135  -8.615  -0.201
  123    HA   GLN  66           HA       GLN  66  11.579  -8.920  -2.796
  124   1HB   GLN  66          2HB       GLN  66   9.459 -10.133  -3.400
  125   2HB   GLN  66          3HB       GLN  66  10.274 -10.819  -1.995
  126   1HG   GLN  66          2HG       GLN  66   8.429  -8.687  -1.248
  127   2HG   GLN  66          3HG       GLN  66   7.613  -9.999  -2.101
  128   1HE2  GLN  66          1HE2      GLN  66   8.873 -12.426   0.426
  129   2HE2  GLN  66          2HE2      GLN  66   8.988 -12.257  -1.259
  130    H    SER  67           H        SER  67   9.220  -6.969  -1.140
  131    HA   SER  67           HA       SER  67   9.257  -4.863  -3.072
  132   1HB   SER  67          2HB       SER  67   6.934  -5.280  -3.987
  133   2HB   SER  67          3HB       SER  67   8.126  -6.472  -4.495
  134    HG   SER  67           HG       SER  67   6.703  -6.916  -2.127
  135    H    TYR  68           H        TYR  68   6.059  -4.949  -2.368
  136    HA   TYR  68           HA       TYR  68   6.153  -4.340   0.499
  137   1HB   TYR  68          2HB       TYR  68   5.451  -1.953   0.090
  138   2HB   TYR  68          3HB       TYR  68   7.101  -2.310  -0.433
  139    HD1  TYR  68           HD1      TYR  68   7.534  -2.809  -2.879
  140    HD2  TYR  68           HD2      TYR  68   3.793  -1.250  -1.460
  141    HE1  TYR  68           HE1      TYR  68   6.955  -2.100  -5.184
  142    HE2  TYR  68           HE2      TYR  68   3.214  -0.539  -3.763
  143    HH   TYR  68           HH       TYR  68   4.211  -0.070  -5.846
  144    H    ILE  69           H        ILE  69   4.007  -4.192   1.377
  145    HA   ILE  69           HA       ILE  69   1.791  -4.617  -0.595
  146    HB   ILE  69           HB       ILE  69   2.963  -6.570   0.929
  147   1HG1  ILE  69          2HG1      ILE  69   0.009  -6.645   0.360
  148   2HG1  ILE  69          3HG1      ILE  69   1.181  -6.597  -0.957
  149   1HG2  ILE  69          1HG2      ILE  69   0.584  -5.515   2.480
  150   2HG2  ILE  69          2HG2      ILE  69   1.253  -7.132   2.696
  151   3HG2  ILE  69          3HG2      ILE  69   2.235  -5.715   3.065
  152   1HD1  ILE  69          3HD1      ILE  69   2.248  -8.527   0.689
  153   2HD1  ILE  69          1HD1      ILE  69   0.514  -8.799   0.876
  154   3HD1  ILE  69          2HD1      ILE  69   1.248  -8.854  -0.727
  155    H    CYS  70           H        CYS  70   0.386  -2.932  -0.322
  156    HA   CYS  70           HA       CYS  70   0.328  -1.369   2.140
  157   1HB   CYS  70          2HB       CYS  70  -1.307  -1.371  -0.404
  158   2HB   CYS  70          3HB       CYS  70  -1.423  -0.135   0.847
  159    H    PHE  71           H        PHE  71  -1.243  -1.426   3.738
  160    HA   PHE  71           HA       PHE  71  -3.244  -3.642   3.577
  161   1HB   PHE  71          2HB       PHE  71  -1.808  -2.136   5.756
  162   2HB   PHE  71          3HB       PHE  71  -3.301  -3.003   6.126
  163    HD1  PHE  71           HD1      PHE  71  -3.172  -5.357   4.411
  164    HD2  PHE  71           HD2      PHE  71  -0.041  -3.417   6.621
  165    HE1  PHE  71           HE1      PHE  71  -1.913  -7.490   4.499
  166    HE2  PHE  71           HE2      PHE  71   1.219  -5.551   6.709
  167    HZ   PHE  71           HZ       PHE  71   0.283  -7.588   5.648
  168    H    CYS  72           H        CYS  72  -4.727  -2.339   2.247
  169    HA   CYS  72           HA       CYS  72  -5.691   0.251   2.903
  170   1HB   CYS  72          2HB       CYS  72  -7.217  -2.055   1.659
  171   2HB   CYS  72          3HB       CYS  72  -7.498  -0.333   1.391
  172    H    LEU  73           H        LEU  73  -8.175   0.498   3.522
  173    HA   LEU  73           HA       LEU  73  -8.510  -0.846   6.157
  174   1HB   LEU  73          2HB       LEU  73 -10.159   1.390   4.960
  175   2HB   LEU  73          3HB       LEU  73  -9.881   1.035   6.664
  176    HG   LEU  73           HG       LEU  73  -7.711   1.901   4.732
  177   1HD1  LEU  73          1HD1      LEU  73  -9.211   3.493   6.839
  178   2HD1  LEU  73          2HD1      LEU  73  -7.830   4.076   5.909
  179   3HD1  LEU  73          3HD1      LEU  73  -9.350   3.709   5.094
  180   1HD2  LEU  73          1HD2      LEU  73  -7.148   0.503   6.817
  181   2HD2  LEU  73          2HD2      LEU  73  -6.309   2.047   6.656
  182   3HD2  LEU  73          3HD2      LEU  73  -7.679   1.897   7.758
  183    HA   PRO  74           HA       PRO  74 -12.080  -3.180   5.125
  184   1HB   PRO  74          2HB       PRO  74 -13.990  -1.522   6.645
  185   2HB   PRO  74          3HB       PRO  74 -13.481  -3.198   6.936
  186   1HG   PRO  74          2HG       PRO  74 -12.733  -1.145   8.517
  187   2HG   PRO  74          3HG       PRO  74 -11.729  -2.578   8.253
  188   1HD   PRO  74          2HD       PRO  74 -11.446   0.160   7.129
  189   2HD   PRO  74          3HD       PRO  74 -10.193  -1.020   7.575
  190    H    ALA  75           H        ALA  75 -12.028   0.148   4.419
  191    HA   ALA  75           HA       ALA  75 -14.567   0.257   2.949
  192   1HB   ALA  75          1HB       ALA  75 -12.200   2.043   3.467
  193   2HB   ALA  75          2HB       ALA  75 -13.385   2.489   2.239
  194   3HB   ALA  75          3HB       ALA  75 -13.888   2.288   3.918
  195    H    PHE  76           H        PHE  76 -11.221  -0.506   2.262
  196    HA   PHE  76           HA       PHE  76 -11.924  -0.767  -0.637
  197   1HB   PHE  76          2HB       PHE  76  -9.175  -0.143   0.454
  198   2HB   PHE  76          3HB       PHE  76  -9.784   0.116  -1.184
  199    HD1  PHE  76           HD1      PHE  76 -10.163   1.230   2.357
  200    HD2  PHE  76           HD2      PHE  76 -10.858   2.145  -1.782
  201    HE1  PHE  76           HE1      PHE  76 -10.865   3.524   2.982
  202    HE2  PHE  76           HE2      PHE  76 -11.559   4.441  -1.157
  203    HZ   PHE  76           HZ       PHE  76 -11.562   5.130   1.225
  204    H    GLU  77           H        GLU  77  -9.875  -2.190  -1.605
  205    HA   GLU  77           HA       GLU  77  -8.961  -4.321   0.169
  206   1HB   GLU  77          2HB       GLU  77 -10.351  -6.059  -1.089
  207   2HB   GLU  77          3HB       GLU  77 -11.256  -5.009   0.001
  208   1HG   GLU  77          2HG       GLU  77 -12.560  -4.441  -1.743
  209   2HG   GLU  77          3HG       GLU  77 -11.162  -3.632  -2.451
  210    H    GLY  78           H        GLY  78  -6.937  -4.549  -0.710
  211   1HA   GLY  78          2HA       GLY  78  -6.205  -5.819  -2.987
  212   2HA   GLY  78          3HA       GLY  78  -6.527  -4.200  -3.607
  213    H    ARG  79           H        ARG  79  -3.952  -5.290  -3.743
  214    HA   ARG  79           HA       ARG  79  -2.252  -4.589  -1.535
  215   1HB   ARG  79          2HB       ARG  79  -1.635  -6.127  -3.344
  216   2HB   ARG  79          3HB       ARG  79  -1.758  -4.819  -4.522
  217   1HG   ARG  79          2HG       ARG  79  -0.044  -3.915  -2.440
  218   2HG   ARG  79          3HG       ARG  79   0.489  -5.535  -2.889
  219   1HD   ARG  79          2HD       ARG  79   0.127  -3.154  -4.742
  220   2HD   ARG  79          3HD       ARG  79   1.639  -4.006  -4.363
  221    HE   ARG  79           HE       ARG  79   0.104  -6.049  -5.292
  222   1HH1  ARG  79          1HH1      ARG  79   2.062  -3.923  -6.762
  223   2HH1  ARG  79          2HH1      ARG  79   1.236  -3.860  -8.284
  224   1HH2  ARG  79          1HH2      ARG  79  -1.581  -5.517  -7.124
  225   2HH2  ARG  79          2HH2      ARG  79  -0.827  -4.762  -8.488
  226    H    ASN  80           H        ASN  80  -4.022  -2.623  -3.657
  227    HA   ASN  80           HA       ASN  80  -2.370  -0.253  -2.888
  228   1HB   ASN  80          2HB       ASN  80  -3.467  -0.897  -5.645
  229   2HB   ASN  80          3HB       ASN  80  -2.540   0.541  -5.215
  230   1HD2  ASN  80          1HD2      ASN  80   0.557  -1.325  -4.840
  231   2HD2  ASN  80          2HD2      ASN  80  -0.300  -0.032  -4.128
  232    H    CYS  81           H        CYS  81  -5.122  -1.519  -2.201
  233    HA   CYS  81           HA       CYS  81  -7.304  -0.718  -1.752
  234   1HB   CYS  81          2HB       CYS  81  -6.002   1.990  -2.130
  235   2HB   CYS  81          3HB       CYS  81  -7.334   1.573  -1.053
  236    H    GLU  82           H        GLU  82  -6.159  -0.880  -4.658
  237    HA   GLU  82           HA       GLU  82  -7.376   1.118  -6.276
  238   1HB   GLU  82          2HB       GLU  82  -5.788  -0.267  -7.298
  239   2HB   GLU  82          3HB       GLU  82  -6.470  -1.733  -6.589
  240   1HG   GLU  82          2HG       GLU  82  -8.393  -0.365  -8.306
  241   2HG   GLU  82          3HG       GLU  82  -6.921  -0.790  -9.179
  242    H    THR  83           H        THR  83  -8.679  -1.910  -4.935
  243    HA   THR  83           HA       THR  83 -11.256  -1.540  -6.329
  244    HB   THR  83           HB       THR  83 -10.469  -3.530  -4.183
  245    HG1  THR  83           HG1      THR  83 -10.174  -4.729  -6.379
  246   1HG2  THR  83          1HG2      THR  83 -12.717  -3.178  -6.069
  247   2HG2  THR  83          2HG2      THR  83 -12.063  -4.813  -5.982
  248   3HG2  THR  83          3HG2      THR  83 -12.665  -4.025  -4.523
  249    H    HIS  84           H        HIS  84 -11.474   0.661  -5.142
  250    HA   HIS  84           HA       HIS  84 -11.968   0.729  -2.300
  251   1HB   HIS  84          2HB       HIS  84 -11.367   2.721  -3.506
  252   2HB   HIS  84          3HB       HIS  84 -12.690   2.499  -4.651
  253    HD1  HIS  84           HD1      HIS  84 -13.739   4.804  -4.003
  254    HD2  HIS  84           HD2      HIS  84 -13.486   2.106  -0.835
  255    HE1  HIS  84           HE1      HIS  84 -15.178   5.746  -2.143
  256    H    LYS  85           H        LYS  85 -13.601  -0.571  -1.490
  257    HA   LYS  85           HA       LYS  85 -15.848  -1.637  -2.683
  258   1HB   LYS  85          2HB       LYS  85 -15.649  -0.368   0.070
  259   2HB   LYS  85          3HB       LYS  85 -16.808  -1.615  -0.406
  260   1HG   LYS  85          2HG       LYS  85 -14.755  -3.024  -1.066
  261   2HG   LYS  85          3HG       LYS  85 -13.809  -1.856  -0.142
  262   1HD   LYS  85          2HD       LYS  85 -14.978  -2.362   1.879
  263   2HD   LYS  85          3HD       LYS  85 -16.218  -3.271   1.014
  264   1HE   LYS  85          2HE       LYS  85 -14.220  -4.778   0.232
  265   2HE   LYS  85          3HE       LYS  85 -13.380  -4.072   1.628
  266   1HZ   LYS  85          1HZ       LYS  85 -16.135  -4.889   2.067
  267   2HZ   LYS  85          2HZ       LYS  85 -15.026  -6.155   1.831
  268   3HZ   LYS  85          3HZ       LYS  85 -14.787  -5.035   3.086
   
  No H/Q in entry =         268
  Start of MODEL    6
    1   1H    SER  45          2H        SER  45  20.937   3.621  -3.504
    2   2H    SER  45          1H        SER  45  20.347   2.789  -2.146
    3   3H    SER  45          3H        SER  45  20.800   1.928  -3.535
    4    HA   SER  45           HA       SER  45  18.981   2.850  -4.790
    5   1HB   SER  45          2HB       SER  45  18.491   1.652  -2.064
    6   2HB   SER  45          3HB       SER  45  17.157   1.941  -3.177
    7    HG   SER  45           HG       SER  45  18.289  -0.182  -3.254
    8    H    ASP  46           H        ASP  46  17.969   4.784  -5.149
    9    HA   ASP  46           HA       ASP  46  18.061   7.092  -3.640
   10   1HB   ASP  46          2HB       ASP  46  16.360   5.925  -5.725
   11   2HB   ASP  46          3HB       ASP  46  15.521   7.142  -4.763
   12    H    GLY  47           H        GLY  47  15.307   4.788  -3.534
   13   1HA   GLY  47          2HA       GLY  47  14.956   5.470  -0.660
   14   2HA   GLY  47          3HA       GLY  47  13.573   5.639  -1.742
   15    H    ASP  48           H        ASP  48  12.294   3.868  -1.947
   16    HA   ASP  48           HA       ASP  48  13.265   1.176  -2.174
   17   1HB   ASP  48          2HB       ASP  48  13.887   1.616   0.171
   18   2HB   ASP  48          3HB       ASP  48  12.220   2.056   0.538
   19    H    GLN  49           H        GLN  49  10.545   1.497  -0.053
   20    HA   GLN  49           HA       GLN  49   8.669   1.336  -2.379
   21   1HB   GLN  49          2HB       GLN  49   8.395  -0.218   0.177
   22   2HB   GLN  49          3HB       GLN  49   7.603  -0.523  -1.359
   23   1HG   GLN  49          2HG       GLN  49  10.529  -0.914  -0.686
   24   2HG   GLN  49          3HG       GLN  49   9.358  -2.155  -1.134
   25   1HE2  GLN  49          1HE2      GLN  49   9.272  -0.307  -4.503
   26   2HE2  GLN  49          2HE2      GLN  49   8.174  -0.254  -3.205
   27    H    CYS  50           H        CYS  50   8.614   1.540   1.186
   28    HA   CYS  50           HA       CYS  50   6.202   3.208   1.158
   29   1HB   CYS  50          2HB       CYS  50   8.066   1.985   3.171
   30   2HB   CYS  50          3HB       CYS  50   6.933   3.229   3.698
   31    H    ALA  51           H        ALA  51   8.397   4.478  -0.245
   32    HA   ALA  51           HA       ALA  51   9.352   6.574   1.642
   33   1HB   ALA  51          1HB       ALA  51  10.060   5.711  -1.173
   34   2HB   ALA  51          2HB       ALA  51  10.750   7.150  -0.422
   35   3HB   ALA  51          3HB       ALA  51  11.047   5.559   0.280
   36    H    SER  52           H        SER  52   7.278   6.080  -1.168
   37    HA   SER  52           HA       SER  52   6.549   8.992  -1.080
   38   1HB   SER  52          2HB       SER  52   5.994   8.633  -3.496
   39   2HB   SER  52          3HB       SER  52   7.690   8.321  -3.135
   40    HG   SER  52           HG       SER  52   7.378   6.356  -3.778
   41    H    SER  53           H        SER  53   5.462   6.160   0.036
   42    HA   SER  53           HA       SER  53   3.319   5.340   0.601
   43   1HB   SER  53          2HB       SER  53   2.728   7.348   1.574
   44   2HB   SER  53          3HB       SER  53   3.074   8.273   0.115
   45    HG   SER  53           HG       SER  53   1.007   8.187  -0.218
   46    HA   PRO  54           HA       PRO  54   2.402   4.774  -3.914
   47   1HB   PRO  54          2HB       PRO  54   2.698   2.044  -3.888
   48   2HB   PRO  54          3HB       PRO  54   4.037   3.167  -4.203
   49   1HG   PRO  54          2HG       PRO  54   3.363   1.670  -1.733
   50   2HG   PRO  54          3HG       PRO  54   4.943   2.107  -2.396
   51   1HD   PRO  54          2HD       PRO  54   3.728   3.401  -0.298
   52   2HD   PRO  54          3HD       PRO  54   4.961   4.129  -1.350
   53    H    CYS  55           H        CYS  55   1.056   4.044  -0.948
   54    HA   CYS  55           HA       CYS  55  -1.142   2.327  -1.907
   55   1HB   CYS  55          2HB       CYS  55  -0.955   3.768   0.744
   56   2HB   CYS  55          3HB       CYS  55  -1.701   2.205   0.395
   57    H    GLN  56           H        GLN  56  -3.440   3.084  -1.472
   58    HA   GLN  56           HA       GLN  56  -3.749   6.036  -1.810
   59   1HB   GLN  56          2HB       GLN  56  -5.005   3.780  -3.399
   60   2HB   GLN  56          3HB       GLN  56  -5.482   5.473  -3.542
   61   1HG   GLN  56          2HG       GLN  56  -3.302   6.109  -4.319
   62   2HG   GLN  56          3HG       GLN  56  -2.638   4.520  -3.934
   63   1HE2  GLN  56          1HE2      GLN  56  -4.547   2.985  -6.713
   64   2HE2  GLN  56          2HE2      GLN  56  -4.349   2.718  -5.039
   65    H    ASN  57           H        ASN  57  -6.177   6.609  -1.546
   66    HA   ASN  57           HA       ASN  57  -8.064   6.658  -0.125
   67   1HB   ASN  57          2HB       ASN  57  -7.497   3.697  -0.419
   68   2HB   ASN  57          3HB       ASN  57  -8.961   4.328   0.334
   69   1HD2  ASN  57          1HD2      ASN  57  -8.882   4.038  -3.634
   70   2HD2  ASN  57          2HD2      ASN  57  -7.832   3.199  -2.584
   71    H    GLY  58           H        GLY  58  -5.546   7.070   1.170
   72   1HA   GLY  58          2HA       GLY  58  -4.594   7.073   3.314
   73   2HA   GLY  58          3HA       GLY  58  -6.232   6.778   3.894
   74    H    GLY  59           H        GLY  59  -4.624   4.535   1.725
   75   1HA   GLY  59          2HA       GLY  59  -4.952   2.400   3.706
   76   2HA   GLY  59          3HA       GLY  59  -4.322   2.203   2.064
   77    H    SER  60           H        SER  60  -3.206   1.202   4.643
   78    HA   SER  60           HA       SER  60  -0.810   2.794   5.188
   79   1HB   SER  60          2HB       SER  60  -2.285   0.575   6.281
   80   2HB   SER  60          3HB       SER  60  -0.589   0.122   6.137
   81    HG   SER  60           HG       SER  60  -0.689   1.171   8.037
   82    H    CYS  61           H        CYS  61   1.403   1.707   4.955
   83    HA   CYS  61           HA       CYS  61   1.510   0.103   2.425
   84   1HB   CYS  61          2HB       CYS  61   3.244   1.497   1.668
   85   2HB   CYS  61          3HB       CYS  61   2.185   2.631   2.500
   86    H    LYS  62           H        LYS  62   2.609  -1.813   2.615
   87    HA   LYS  62           HA       LYS  62   4.124  -2.299   5.147
   88   1HB   LYS  62          2HB       LYS  62   2.214  -3.773   4.479
   89   2HB   LYS  62          3HB       LYS  62   3.114  -4.216   3.029
   90   1HG   LYS  62          2HG       LYS  62   5.026  -4.835   4.687
   91   2HG   LYS  62          3HG       LYS  62   3.740  -4.865   5.896
   92   1HD   LYS  62          2HD       LYS  62   2.556  -6.300   3.930
   93   2HD   LYS  62          3HD       LYS  62   4.245  -6.705   3.623
   94   1HE   LYS  62          2HE       LYS  62   4.541  -7.535   5.871
   95   2HE   LYS  62          3HE       LYS  62   2.953  -6.915   6.363
   96   1HZ   LYS  62          1HZ       LYS  62   3.186  -8.726   4.051
   97   2HZ   LYS  62          2HZ       LYS  62   3.147  -9.368   5.624
   98   3HZ   LYS  62          3HZ       LYS  62   1.846  -8.439   5.050
   99    H    ASP  63           H        ASP  63   6.298  -2.833   5.079
  100    HA   ASP  63           HA       ASP  63   7.620  -2.729   2.391
  101   1HB   ASP  63          2HB       ASP  63   9.547  -1.870   3.657
  102   2HB   ASP  63          3HB       ASP  63   8.110  -0.916   4.028
  103    H    GLN  64           H        GLN  64   8.008  -4.831   1.767
  104    HA   GLN  64           HA       GLN  64   8.958  -6.769   3.840
  105   1HB   GLN  64          2HB       GLN  64   8.414  -8.000   1.300
  106   2HB   GLN  64          3HB       GLN  64   7.551  -8.212   2.818
  107   1HG   GLN  64          2HG       GLN  64   6.194  -6.187   2.301
  108   2HG   GLN  64          3HG       GLN  64   7.025  -6.053   0.751
  109   1HE2  GLN  64          1HE2      GLN  64   4.228  -9.006   1.284
  110   2HE2  GLN  64          2HE2      GLN  64   4.847  -8.172   2.637
  111    H    LEU  65           H        LEU  65  10.256  -8.587   2.167
  112    HA   LEU  65           HA       LEU  65  12.709  -7.055   1.500
  113   1HB   LEU  65          2HB       LEU  65  12.508  -9.138   3.020
  114   2HB   LEU  65          3HB       LEU  65  12.326 -10.046   1.518
  115    HG   LEU  65           HG       LEU  65  14.578  -8.116   1.592
  116   1HD1  LEU  65          3HD1      LEU  65  14.573  -9.163   3.884
  117   2HD1  LEU  65          1HD1      LEU  65  14.720 -10.739   3.106
  118   3HD1  LEU  65          2HD1      LEU  65  16.005  -9.544   2.927
  119   1HD2  LEU  65          3HD2      LEU  65  14.089 -10.939   0.615
  120   2HD2  LEU  65          1HD2      LEU  65  14.335  -9.485  -0.353
  121   3HD2  LEU  65          2HD2      LEU  65  15.680 -10.179   0.552
  122    H    GLN  66           H        GLN  66  10.077  -8.583  -0.056
  123    HA   GLN  66           HA       GLN  66  11.590  -8.848  -2.623
  124   1HB   GLN  66          2HB       GLN  66   8.821  -9.802  -1.820
  125   2HB   GLN  66          3HB       GLN  66   9.710 -10.273  -3.268
  126   1HG   GLN  66          2HG       GLN  66  10.894 -10.704  -0.531
  127   2HG   GLN  66          3HG       GLN  66   9.771 -11.876  -1.223
  128   1HE2  GLN  66          1HE2      GLN  66  13.538 -12.214  -2.296
  129   2HE2  GLN  66          2HE2      GLN  66  12.964 -11.562  -0.837
  130    H    SER  67           H        SER  67   9.099  -7.023  -1.007
  131    HA   SER  67           HA       SER  67   9.058  -4.943  -2.989
  132   1HB   SER  67          2HB       SER  67   7.903  -6.982  -4.086
  133   2HB   SER  67          3HB       SER  67   6.581  -6.680  -2.963
  134    HG   SER  67           HG       SER  67   6.717  -5.597  -5.201
  135    H    TYR  68           H        TYR  68   5.953  -4.840  -2.368
  136    HA   TYR  68           HA       TYR  68   5.921  -4.364   0.528
  137   1HB   TYR  68          2HB       TYR  68   5.447  -1.916   0.205
  138   2HB   TYR  68          3HB       TYR  68   7.082  -2.381  -0.274
  139    HD1  TYR  68           HD1      TYR  68   7.703  -2.549  -2.647
  140    HD2  TYR  68           HD2      TYR  68   3.786  -1.261  -1.444
  141    HE1  TYR  68           HE1      TYR  68   7.282  -1.691  -4.937
  142    HE2  TYR  68           HE2      TYR  68   3.366  -0.399  -3.732
  143    HH   TYR  68           HH       TYR  68   4.132  -0.635  -5.952
  144    H    ILE  69           H        ILE  69   3.769  -4.175   1.295
  145    HA   ILE  69           HA       ILE  69   1.613  -4.241  -0.786
  146    HB   ILE  69           HB       ILE  69   2.351  -6.167   1.380
  147   1HG1  ILE  69          2HG1      ILE  69   0.815  -7.008  -0.983
  148   2HG1  ILE  69          3HG1      ILE  69   2.330  -6.190  -1.370
  149   1HG2  ILE  69          1HG2      ILE  69  -0.386  -5.181   0.876
  150   2HG2  ILE  69          2HG2      ILE  69  -0.216  -6.933   0.798
  151   3HG2  ILE  69          3HG2      ILE  69   0.254  -6.067   2.259
  152   1HD1  ILE  69          1HD1      ILE  69   2.245  -8.358   0.720
  153   2HD1  ILE  69          2HD1      ILE  69   2.391  -8.763  -0.990
  154   3HD1  ILE  69          3HD1      ILE  69   3.627  -7.776  -0.209
  155    H    CYS  70           H        CYS  70   0.204  -2.609  -0.374
  156    HA   CYS  70           HA       CYS  70   0.208  -1.203   2.187
  157   1HB   CYS  70          2HB       CYS  70  -1.512  -0.981  -0.290
  158   2HB   CYS  70          3HB       CYS  70  -1.438   0.205   1.011
  159    H    PHE  71           H        PHE  71  -1.299  -1.398   3.820
  160    HA   PHE  71           HA       PHE  71  -3.374  -3.520   3.525
  161   1HB   PHE  71          2HB       PHE  71  -2.207  -2.023   5.898
  162   2HB   PHE  71          3HB       PHE  71  -3.421  -3.301   6.020
  163    HD1  PHE  71           HD1      PHE  71  -2.427  -5.106   3.817
  164    HD2  PHE  71           HD2      PHE  71  -0.339  -3.054   6.960
  165    HE1  PHE  71           HE1      PHE  71  -0.634  -6.818   3.742
  166    HE2  PHE  71           HE2      PHE  71   1.453  -4.767   6.886
  167    HZ   PHE  71           HZ       PHE  71   1.305  -6.647   5.278
  168    H    CYS  72           H        CYS  72  -4.799  -2.113   2.231
  169    HA   CYS  72           HA       CYS  72  -5.719   0.461   2.965
  170   1HB   CYS  72          2HB       CYS  72  -7.290  -1.790   1.675
  171   2HB   CYS  72          3HB       CYS  72  -7.562  -0.058   1.464
  172    H    LEU  73           H        LEU  73  -8.310   0.602   3.469
  173    HA   LEU  73           HA       LEU  73  -8.598  -0.576   6.180
  174   1HB   LEU  73          2HB       LEU  73 -10.423   1.385   4.776
  175   2HB   LEU  73          3HB       LEU  73 -10.151   1.201   6.508
  176    HG   LEU  73           HG       LEU  73  -8.027   2.110   4.544
  177   1HD1  LEU  73          1HD1      LEU  73  -9.736   3.718   6.471
  178   2HD1  LEU  73          2HD1      LEU  73  -8.384   4.355   5.534
  179   3HD1  LEU  73          3HD1      LEU  73  -9.832   3.776   4.711
  180   1HD2  LEU  73          1HD2      LEU  73  -7.457   0.950   6.807
  181   2HD2  LEU  73          2HD2      LEU  73  -6.665   2.482   6.434
  182   3HD2  LEU  73          3HD2      LEU  73  -8.036   2.445   7.543
  183    HA   PRO  74           HA       PRO  74 -11.895  -3.331   5.296
  184   1HB   PRO  74          2HB       PRO  74 -13.995  -1.723   6.611
  185   2HB   PRO  74          3HB       PRO  74 -13.360  -3.321   7.056
  186   1HG   PRO  74          2HG       PRO  74 -12.834  -1.096   8.481
  187   2HG   PRO  74          3HG       PRO  74 -11.700  -2.449   8.354
  188   1HD   PRO  74          2HD       PRO  74 -11.627   0.208   7.021
  189   2HD   PRO  74          3HD       PRO  74 -10.288  -0.818   7.585
  190    H    ALA  75           H        ALA  75 -12.149  -0.085   4.292
  191    HA   ALA  75           HA       ALA  75 -14.632  -0.368   2.756
  192   1HB   ALA  75          1HB       ALA  75 -12.461   1.687   3.131
  193   2HB   ALA  75          2HB       ALA  75 -13.673   1.895   1.866
  194   3HB   ALA  75          3HB       ALA  75 -14.169   1.800   3.556
  195    H    PHE  76           H        PHE  76 -11.143  -0.492   2.117
  196    HA   PHE  76           HA       PHE  76 -11.743  -1.188  -0.730
  197   1HB   PHE  76          2HB       PHE  76  -9.095  -0.294   0.423
  198   2HB   PHE  76          3HB       PHE  76  -9.634  -0.215  -1.257
  199    HD1  PHE  76           HD1      PHE  76 -10.261   1.159   2.153
  200    HD2  PHE  76           HD2      PHE  76 -10.822   1.670  -2.074
  201    HE1  PHE  76           HE1      PHE  76 -11.148   3.441   2.548
  202    HE2  PHE  76           HE2      PHE  76 -11.711   3.953  -1.679
  203    HZ   PHE  76           HZ       PHE  76 -11.872   4.837   0.631
  204    H    GLU  77           H        GLU  77  -9.490  -2.490  -1.478
  205    HA   GLU  77           HA       GLU  77  -8.685  -4.507   0.504
  206   1HB   GLU  77          2HB       GLU  77 -11.081  -4.850  -0.829
  207   2HB   GLU  77          3HB       GLU  77  -9.955  -5.769  -1.831
  208   1HG   GLU  77          2HG       GLU  77  -9.200  -6.468   0.738
  209   2HG   GLU  77          3HG       GLU  77 -10.956  -6.355   0.861
  210    H    GLY  78           H        GLY  78  -8.777  -3.477  -2.896
  211   1HA   GLY  78          2HA       GLY  78  -6.863  -5.076  -4.085
  212   2HA   GLY  78          3HA       GLY  78  -6.991  -3.352  -4.435
  213    H    ARG  79           H        ARG  79  -4.504  -4.703  -4.435
  214    HA   ARG  79           HA       ARG  79  -3.041  -4.557  -1.994
  215   1HB   ARG  79          2HB       ARG  79  -2.387  -5.667  -4.150
  216   2HB   ARG  79          3HB       ARG  79  -2.093  -4.069  -4.836
  217   1HG   ARG  79          2HG       ARG  79  -0.718  -4.067  -2.389
  218   2HG   ARG  79          3HG       ARG  79  -0.392  -5.651  -3.096
  219   1HD   ARG  79          2HD       ARG  79  -0.127  -3.089  -4.697
  220   2HD   ARG  79          3HD       ARG  79   1.227  -3.799  -3.796
  221    HE   ARG  79           HE       ARG  79  -0.246  -5.201  -5.992
  222   1HH1  ARG  79          1HH1      ARG  79   2.723  -4.099  -4.887
  223   2HH1  ARG  79          2HH1      ARG  79   3.596  -5.552  -5.245
  224   1HH2  ARG  79          1HH2      ARG  79   0.755  -7.376  -6.039
  225   2HH2  ARG  79          2HH2      ARG  79   2.481  -7.407  -5.897
  226    H    ASN  80           H        ASN  80  -4.206  -2.065  -4.107
  227    HA   ASN  80           HA       ASN  80  -2.609  -0.036  -2.576
  228   1HB   ASN  80          2HB       ASN  80  -2.616  -0.673  -5.327
  229   2HB   ASN  80          3HB       ASN  80  -3.506   0.843  -5.186
  230   1HD2  ASN  80          1HD2      ASN  80   0.251   0.985  -3.524
  231   2HD2  ASN  80          2HD2      ASN  80  -0.785  -0.316  -3.145
  232    H    CYS  81           H        CYS  81  -5.452  -1.224  -2.324
  233    HA   CYS  81           HA       CYS  81  -7.551  -0.354  -1.660
  234   1HB   CYS  81          2HB       CYS  81  -6.276   2.371  -1.961
  235   2HB   CYS  81          3HB       CYS  81  -7.522   1.870  -0.821
  236    H    GLU  82           H        GLU  82  -6.282  -0.187  -4.610
  237    HA   GLU  82           HA       GLU  82  -7.866   1.824  -5.958
  238   1HB   GLU  82          2HB       GLU  82  -5.895   1.120  -7.030
  239   2HB   GLU  82          3HB       GLU  82  -6.216  -0.586  -6.703
  240   1HG   GLU  82          2HG       GLU  82  -8.146  -0.489  -8.280
  241   2HG   GLU  82          3HG       GLU  82  -7.726   1.183  -8.654
  242    H    THR  83           H        THR  83  -8.612  -1.303  -4.703
  243    HA   THR  83           HA       THR  83 -10.972  -1.577  -6.516
  244    HB   THR  83           HB       THR  83  -9.624  -3.458  -4.551
  245    HG1  THR  83           HG1      THR  83  -9.197  -4.517  -6.653
  246   1HG2  THR  83          1HG2      THR  83 -12.229  -3.531  -5.803
  247   2HG2  THR  83          2HG2      THR  83 -11.236  -4.872  -6.374
  248   3HG2  THR  83          3HG2      THR  83 -11.522  -4.659  -4.646
  249    H    HIS  84           H        HIS  84 -11.702   0.420  -5.065
  250    HA   HIS  84           HA       HIS  84 -12.427   0.242  -2.370
  251   1HB   HIS  84          2HB       HIS  84 -12.636   2.193  -3.941
  252   2HB   HIS  84          3HB       HIS  84 -14.061   1.424  -4.640
  253    HD1  HIS  84           HD1      HIS  84 -15.277   3.677  -3.688
  254    HD2  HIS  84           HD2      HIS  84 -13.956   0.939  -0.836
  255    HE1  HIS  84           HE1      HIS  84 -16.483   4.248  -1.535
  256    H    LYS  85           H        LYS  85 -13.396  -1.581  -1.513
  257    HA   LYS  85           HA       LYS  85 -14.978  -3.526  -2.657
  258   1HB   LYS  85          2HB       LYS  85 -15.254  -2.152   0.036
  259   2HB   LYS  85          3HB       LYS  85 -15.997  -3.706  -0.360
  260   1HG   LYS  85          2HG       LYS  85 -13.880  -4.760  -0.651
  261   2HG   LYS  85          3HG       LYS  85 -13.030  -3.214  -0.671
  262   1HD   LYS  85          2HD       LYS  85 -12.633  -3.739   1.523
  263   2HD   LYS  85          3HD       LYS  85 -14.234  -3.032   1.743
  264   1HE   LYS  85          2HE       LYS  85 -13.670  -5.991   1.322
  265   2HE   LYS  85          3HE       LYS  85 -14.120  -5.233   2.861
  266   1HZ   LYS  85          3HZ       LYS  85 -16.065  -4.268   1.559
  267   2HZ   LYS  85          1HZ       LYS  85 -15.718  -5.442   0.382
  268   3HZ   LYS  85          2HZ       LYS  85 -16.145  -5.919   1.953
   
  No H/Q in entry =         268
  Start of MODEL    7
    1   1H    SER  45          1H        SER  45  17.235  -1.923  -5.887
    2   2H    SER  45          3H        SER  45  17.897  -2.786  -4.586
    3   3H    SER  45          2H        SER  45  18.205  -3.287  -6.180
    4    HA   SER  45           HA       SER  45  16.549  -4.758  -5.743
    5   1HB   SER  45          2HB       SER  45  14.816  -4.119  -3.991
    6   2HB   SER  45          3HB       SER  45  16.478  -4.165  -3.410
    7    HG   SER  45           HG       SER  45  14.758  -2.023  -3.787
    8    H    ASP  46           H        ASP  46  15.148  -1.456  -5.559
    9    HA   ASP  46           HA       ASP  46  13.968  -1.713  -8.232
   10   1HB   ASP  46          2HB       ASP  46  12.617  -3.064  -6.422
   11   2HB   ASP  46          3HB       ASP  46  12.036  -1.471  -5.938
   12    H    GLY  47           H        GLY  47  13.937   0.002  -5.105
   13   1HA   GLY  47          2HA       GLY  47  14.798   2.442  -5.543
   14   2HA   GLY  47          3HA       GLY  47  13.351   2.541  -6.548
   15    H    ASP  48           H        ASP  48  13.650   0.841  -3.448
   16    HA   ASP  48           HA       ASP  48  12.488   1.128  -1.437
   17   1HB   ASP  48          2HB       ASP  48  12.944   3.863  -2.545
   18   2HB   ASP  48          3HB       ASP  48  11.891   3.685  -1.140
   19    H    GLN  49           H        GLN  49  10.510   0.335  -1.317
   20    HA   GLN  49           HA       GLN  49   8.399   0.877  -3.226
   21   1HB   GLN  49          2HB       GLN  49   8.274  -0.422  -0.509
   22   2HB   GLN  49          3HB       GLN  49   7.151  -0.670  -1.839
   23   1HG   GLN  49          2HG       GLN  49  10.089  -1.422  -1.795
   24   2HG   GLN  49          3HG       GLN  49   8.722  -2.536  -1.757
   25   1HE2  GLN  49          1HE2      GLN  49   7.938  -1.016  -5.218
   26   2HE2  GLN  49          2HE2      GLN  49   7.255  -0.644  -3.704
   27    H    CYS  50           H        CYS  50   8.568   1.482   0.302
   28    HA   CYS  50           HA       CYS  50   6.328   3.369   0.177
   29   1HB   CYS  50          2HB       CYS  50   7.335   1.682   2.040
   30   2HB   CYS  50          3HB       CYS  50   8.115   3.179   2.549
   31    H    ALA  51           H        ALA  51   7.620   4.763  -1.470
   32    HA   ALA  51           HA       ALA  51   9.673   6.482  -0.157
   33   1HB   ALA  51          3HB       ALA  51   9.362   5.313  -2.680
   34   2HB   ALA  51          1HB       ALA  51   9.011   7.020  -2.948
   35   3HB   ALA  51          2HB       ALA  51  10.554   6.537  -2.243
   36    H    SER  52           H        SER  52   6.583   6.724  -1.944
   37    HA   SER  52           HA       SER  52   6.131   9.368  -0.609
   38   1HB   SER  52          2HB       SER  52   6.583   8.753  -3.390
   39   2HB   SER  52          3HB       SER  52   4.950   9.385  -3.192
   40    HG   SER  52           HG       SER  52   5.780  11.270  -2.801
   41    H    SER  53           H        SER  53   5.028   7.006   0.379
   42    HA   SER  53           HA       SER  53   2.938   6.079   0.979
   43   1HB   SER  53          2HB       SER  53   1.930   8.588  -0.396
   44   2HB   SER  53          3HB       SER  53   1.081   7.648   0.829
   45    HG   SER  53           HG       SER  53   3.597   8.921   1.191
   46    HA   PRO  54           HA       PRO  54   2.393   4.618  -3.380
   47   1HB   PRO  54          2HB       PRO  54   2.881   1.976  -2.821
   48   2HB   PRO  54          3HB       PRO  54   4.158   3.133  -3.249
   49   1HG   PRO  54          2HG       PRO  54   3.393   2.054  -0.595
   50   2HG   PRO  54          3HG       PRO  54   4.987   2.502  -1.218
   51   1HD   PRO  54          2HD       PRO  54   3.495   4.037   0.512
   52   2HD   PRO  54          3HD       PRO  54   4.769   4.667  -0.555
   53    H    CYS  55           H        CYS  55   0.862   4.351  -0.432
   54    HA   CYS  55           HA       CYS  55  -1.245   2.484  -1.446
   55   1HB   CYS  55          2HB       CYS  55  -0.985   3.589   1.354
   56   2HB   CYS  55          3HB       CYS  55  -1.724   2.072   0.837
   57    H    GLN  56           H        GLN  56  -3.530   3.161  -0.922
   58    HA   GLN  56           HA       GLN  56  -3.900   6.108  -0.703
   59   1HB   GLN  56          2HB       GLN  56  -5.033   4.284  -2.846
   60   2HB   GLN  56          3HB       GLN  56  -5.433   5.991  -2.656
   61   1HG   GLN  56          2HG       GLN  56  -3.161   6.651  -3.098
   62   2HG   GLN  56          3HG       GLN  56  -2.612   4.974  -3.062
   63   1HE2  GLN  56          1HE2      GLN  56  -4.264   4.235  -6.259
   64   2HE2  GLN  56          2HE2      GLN  56  -4.125   3.549  -4.704
   65    H    ASN  57           H        ASN  57  -6.515   6.391  -0.832
   66    HA   ASN  57           HA       ASN  57  -8.517   6.071   0.386
   67   1HB   ASN  57          2HB       ASN  57  -7.783   3.142   0.306
   68   2HB   ASN  57          3HB       ASN  57  -9.378   3.876   0.151
   69   1HD2  ASN  57          1HD2      ASN  57  -8.894   4.748  -3.317
   70   2HD2  ASN  57          2HD2      ASN  57  -9.710   5.238  -1.901
   71    H    GLY  58           H        GLY  58  -6.168   6.596   1.962
   72   1HA   GLY  58          2HA       GLY  58  -5.467   6.510   4.198
   73   2HA   GLY  58          3HA       GLY  58  -7.082   5.901   4.562
   74    H    GLY  59           H        GLY  59  -4.828   4.274   2.387
   75   1HA   GLY  59          2HA       GLY  59  -4.971   1.894   4.139
   76   2HA   GLY  59          3HA       GLY  59  -4.336   1.926   2.489
   77    H    SER  60           H        SER  60  -3.075   0.876   4.979
   78    HA   SER  60           HA       SER  60  -0.911   2.723   5.662
   79   1HB   SER  60          2HB       SER  60  -2.094   0.295   6.604
   80   2HB   SER  60          3HB       SER  60  -0.373  -0.001   6.366
   81    HG   SER  60           HG       SER  60  -0.278   2.226   7.478
   82    H    CYS  61           H        CYS  61   1.428   1.782   5.450
   83    HA   CYS  61           HA       CYS  61   1.759   0.539   2.738
   84   1HB   CYS  61          2HB       CYS  61   2.247   2.900   2.615
   85   2HB   CYS  61          3HB       CYS  61   3.209   2.831   4.091
   86    H    LYS  62           H        LYS  62   2.384  -1.543   3.359
   87    HA   LYS  62           HA       LYS  62   4.276  -1.942   5.590
   88   1HB   LYS  62          2HB       LYS  62   2.289  -3.412   4.991
   89   2HB   LYS  62          3HB       LYS  62   3.199  -3.926   3.570
   90   1HG   LYS  62          2HG       LYS  62   4.364  -5.394   4.807
   91   2HG   LYS  62          3HG       LYS  62   4.903  -4.097   5.874
   92   1HD   LYS  62          2HD       LYS  62   2.521  -4.293   6.921
   93   2HD   LYS  62          3HD       LYS  62   2.489  -5.876   6.141
   94   1HE   LYS  62          2HE       LYS  62   5.032  -5.547   7.454
   95   2HE   LYS  62          3HE       LYS  62   3.726  -5.213   8.610
   96   1HZ   LYS  62          1HZ       LYS  62   3.534  -7.488   6.739
   97   2HZ   LYS  62          2HZ       LYS  62   4.387  -7.652   8.199
   98   3HZ   LYS  62          3HZ       LYS  62   2.738  -7.257   8.221
   99    H    ASP  63           H        ASP  63   6.449  -2.509   5.330
  100    HA   ASP  63           HA       ASP  63   7.513  -2.391   2.528
  101   1HB   ASP  63          2HB       ASP  63   8.034  -0.596   4.310
  102   2HB   ASP  63          3HB       ASP  63   9.021  -1.835   5.087
  103    H    GLN  64           H        GLN  64   7.961  -4.467   1.877
  104    HA   GLN  64           HA       GLN  64   9.076  -6.376   3.896
  105   1HB   GLN  64          2HB       GLN  64   8.452  -7.623   1.384
  106   2HB   GLN  64          3HB       GLN  64   7.669  -7.862   2.940
  107   1HG   GLN  64          2HG       GLN  64   6.224  -5.883   2.490
  108   2HG   GLN  64          3HG       GLN  64   6.976  -5.723   0.903
  109   1HE2  GLN  64          1HE2      GLN  64   4.388  -8.846   1.574
  110   2HE2  GLN  64          2HE2      GLN  64   5.101  -8.047   2.902
  111    H    LEU  65           H        LEU  65  10.546  -8.096   2.531
  112    HA   LEU  65           HA       LEU  65  12.826  -6.496   1.588
  113   1HB   LEU  65          2HB       LEU  65  12.293  -9.420   2.143
  114   2HB   LEU  65          3HB       LEU  65  13.846  -8.844   1.534
  115    HG   LEU  65           HG       LEU  65  13.521  -7.113   3.571
  116   1HD1  LEU  65          1HD1      LEU  65  11.811  -9.502   4.152
  117   2HD1  LEU  65          2HD1      LEU  65  12.731  -8.786   5.475
  118   3HD1  LEU  65          3HD1      LEU  65  11.558  -7.812   4.589
  119   1HD2  LEU  65          1HD2      LEU  65  15.411  -8.737   3.091
  120   2HD2  LEU  65          2HD2      LEU  65  15.079  -8.477   4.803
  121   3HD2  LEU  65          3HD2      LEU  65  14.509  -9.944   4.007
  122    H    GLN  66           H        GLN  66  10.212  -8.201   0.183
  123    HA   GLN  66           HA       GLN  66  11.628  -8.483  -2.433
  124   1HB   GLN  66          2HB       GLN  66   8.867  -9.433  -1.623
  125   2HB   GLN  66          3HB       GLN  66   9.861 -10.028  -2.954
  126   1HG   GLN  66          2HG       GLN  66  11.558 -10.791  -1.275
  127   2HG   GLN  66          3HG       GLN  66  10.440 -10.323   0.007
  128   1HE2  GLN  66          1HE2      GLN  66   9.601 -13.635  -2.273
  129   2HE2  GLN  66          2HE2      GLN  66  10.723 -12.494  -2.838
  130    H    SER  67           H        SER  67   8.876  -6.914  -0.864
  131    HA   SER  67           HA       SER  67   8.820  -4.795  -2.875
  132   1HB   SER  67          2HB       SER  67   6.607  -6.866  -2.692
  133   2HB   SER  67          3HB       SER  67   6.499  -5.376  -3.624
  134    HG   SER  67           HG       SER  67   7.895  -7.710  -4.121
  135    H    TYR  68           H        TYR  68   5.716  -4.870  -1.997
  136    HA   TYR  68           HA       TYR  68   5.923  -4.177   0.846
  137   1HB   TYR  68          2HB       TYR  68   5.324  -1.808   0.473
  138   2HB   TYR  68          3HB       TYR  68   6.851  -2.204  -0.321
  139    HD1  TYR  68           HD1      TYR  68   6.729  -2.921  -2.815
  140    HD2  TYR  68           HD2      TYR  68   3.555  -0.881  -0.761
  141    HE1  TYR  68           HE1      TYR  68   5.779  -2.207  -4.993
  142    HE2  TYR  68           HE2      TYR  68   2.607  -0.164  -2.938
  143    HH   TYR  68           HH       TYR  68   4.123  -0.002  -5.638
  144    H    ILE  69           H        ILE  69   3.806  -3.957   1.798
  145    HA   ILE  69           HA       ILE  69   1.522  -4.469  -0.069
  146    HB   ILE  69           HB       ILE  69   2.768  -6.309   1.606
  147   1HG1  ILE  69          2HG1      ILE  69  -0.132  -6.489   0.793
  148   2HG1  ILE  69          3HG1      ILE  69   1.172  -6.551  -0.393
  149   1HG2  ILE  69          1HG2      ILE  69   0.254  -5.264   2.934
  150   2HG2  ILE  69          2HG2      ILE  69   0.945  -6.851   3.273
  151   3HG2  ILE  69          3HG2      ILE  69   1.864  -5.392   3.642
  152   1HD1  ILE  69          3HD1      ILE  69   2.120  -8.339   1.387
  153   2HD1  ILE  69          1HD1      ILE  69   0.391  -8.546   1.666
  154   3HD1  ILE  69          2HD1      ILE  69   1.060  -8.795   0.054
  155    H    CYS  70           H        CYS  70   0.157  -2.745   0.166
  156    HA   CYS  70           HA       CYS  70   0.160  -1.091   2.573
  157   1HB   CYS  70          2HB       CYS  70  -1.555  -1.166   0.081
  158   2HB   CYS  70          3HB       CYS  70  -1.569   0.134   1.272
  159    H    PHE  71           H        PHE  71  -1.441  -1.032   4.168
  160    HA   PHE  71           HA       PHE  71  -3.358  -3.317   4.189
  161   1HB   PHE  71          2HB       PHE  71  -1.995  -1.547   6.186
  162   2HB   PHE  71          3HB       PHE  71  -3.528  -2.298   6.644
  163    HD1  PHE  71           HD1      PHE  71  -0.396  -3.295   4.816
  164    HD2  PHE  71           HD2      PHE  71  -3.360  -4.333   7.746
  165    HE1  PHE  71           HE1      PHE  71   0.778  -5.438   5.243
  166    HE2  PHE  71           HE2      PHE  71  -2.186  -6.476   8.173
  167    HZ   PHE  71           HZ       PHE  71  -0.117  -7.028   6.921
  168    H    CYS  72           H        CYS  72  -4.861  -2.261   2.676
  169    HA   CYS  72           HA       CYS  72  -6.003   0.340   3.152
  170   1HB   CYS  72          2HB       CYS  72  -7.252  -2.033   1.743
  171   2HB   CYS  72          3HB       CYS  72  -7.519  -0.321   1.403
  172    H    LEU  73           H        LEU  73  -8.564   0.395   3.446
  173    HA   LEU  73           HA       LEU  73  -9.122  -0.953   6.038
  174   1HB   LEU  73          2HB       LEU  73 -10.789   1.106   4.575
  175   2HB   LEU  73          3HB       LEU  73 -10.724   0.794   6.309
  176    HG   LEU  73           HG       LEU  73  -8.376   1.824   4.693
  177   1HD1  LEU  73          1HD1      LEU  73 -10.400   3.291   6.412
  178   2HD1  LEU  73          2HD1      LEU  73  -8.880   3.996   5.859
  179   3HD1  LEU  73          3HD1      LEU  73 -10.112   3.523   4.687
  180   1HD2  LEU  73          1HD2      LEU  73  -8.040   0.534   6.901
  181   2HD2  LEU  73          2HD2      LEU  73  -7.306   2.135   6.797
  182   3HD2  LEU  73          3HD2      LEU  73  -8.814   1.912   7.685
  183    HA   PRO  74           HA       PRO  74 -12.254  -3.673   4.619
  184   1HB   PRO  74          2HB       PRO  74 -14.475  -2.202   5.901
  185   2HB   PRO  74          3HB       PRO  74 -13.868  -3.837   6.238
  186   1HG   PRO  74          2HG       PRO  74 -13.476  -1.765   7.914
  187   2HG   PRO  74          3HG       PRO  74 -12.327  -3.100   7.747
  188   1HD   PRO  74          2HD       PRO  74 -12.157  -0.322   6.705
  189   2HD   PRO  74          3HD       PRO  74 -10.863  -1.409   7.258
  190    H    ALA  75           H        ALA  75 -12.512  -0.334   3.954
  191    HA   ALA  75           HA       ALA  75 -14.831  -0.467   2.177
  192   1HB   ALA  75          1HB       ALA  75 -12.656   1.558   2.767
  193   2HB   ALA  75          2HB       ALA  75 -13.973   1.873   1.637
  194   3HB   ALA  75          3HB       ALA  75 -14.325   1.579   3.340
  195    H    PHE  76           H        PHE  76 -11.301  -0.526   1.829
  196    HA   PHE  76           HA       PHE  76 -11.654  -0.997  -1.105
  197   1HB   PHE  76          2HB       PHE  76  -9.137  -0.101   0.313
  198   2HB   PHE  76          3HB       PHE  76  -9.555   0.091  -1.392
  199    HD1  PHE  76           HD1      PHE  76 -10.512   1.158   2.054
  200    HD2  PHE  76           HD2      PHE  76 -10.731   2.005  -2.151
  201    HE1  PHE  76           HE1      PHE  76 -11.521   3.367   2.553
  202    HE2  PHE  76           HE2      PHE  76 -11.741   4.215  -1.653
  203    HZ   PHE  76           HZ       PHE  76 -12.135   4.896   0.700
  204    H    GLU  77           H        GLU  77  -9.791  -2.420  -1.995
  205    HA   GLU  77           HA       GLU  77  -8.609  -4.338  -0.105
  206   1HB   GLU  77          2HB       GLU  77 -11.103  -4.894  -0.547
  207   2HB   GLU  77          3HB       GLU  77 -10.567  -5.368  -2.160
  208   1HG   GLU  77          2HG       GLU  77  -8.889  -6.897  -1.089
  209   2HG   GLU  77          3HG       GLU  77  -9.600  -6.507   0.477
  210    H    GLY  78           H        GLY  78  -6.673  -3.538  -1.227
  211   1HA   GLY  78          2HA       GLY  78  -5.956  -5.160  -3.516
  212   2HA   GLY  78          3HA       GLY  78  -6.182  -3.470  -3.968
  213    H    ARG  79           H        ARG  79  -3.665  -4.649  -4.208
  214    HA   ARG  79           HA       ARG  79  -1.906  -4.433  -2.003
  215   1HB   ARG  79          2HB       ARG  79  -1.499  -5.359  -4.324
  216   2HB   ARG  79          3HB       ARG  79  -1.350  -3.695  -4.892
  217   1HG   ARG  79          2HG       ARG  79   0.879  -4.308  -4.450
  218   2HG   ARG  79          3HG       ARG  79   0.405  -3.439  -2.990
  219   1HD   ARG  79          2HD       ARG  79   1.390  -5.396  -2.115
  220   2HD   ARG  79          3HD       ARG  79  -0.330  -5.830  -2.147
  221    HE   ARG  79           HE       ARG  79   0.753  -6.451  -4.695
  222   1HH1  ARG  79          1HH1      ARG  79   2.490  -7.189  -2.008
  223   2HH1  ARG  79          2HH1      ARG  79   2.286  -8.907  -2.089
  224   1HH2  ARG  79          1HH2      ARG  79  -0.155  -8.767  -4.549
  225   2HH2  ARG  79          2HH2      ARG  79   0.789  -9.801  -3.528
  226    H    ASN  80           H        ASN  80  -3.449  -1.941  -3.905
  227    HA   ASN  80           HA       ASN  80  -1.968   0.127  -2.314
  228   1HB   ASN  80          2HB       ASN  80  -2.864   0.350  -5.203
  229   2HB   ASN  80          3HB       ASN  80  -1.809   1.459  -4.324
  230   1HD2  ASN  80          1HD2      ASN  80   0.905  -1.056  -4.279
  231   2HD2  ASN  80          2HD2      ASN  80   0.082  -0.085  -3.143
  232    H    CYS  81           H        CYS  81  -4.724  -1.218  -2.125
  233    HA   CYS  81           HA       CYS  81  -6.904  -0.512  -1.546
  234   1HB   CYS  81          2HB       CYS  81  -5.629   2.238  -1.571
  235   2HB   CYS  81          3HB       CYS  81  -7.017   1.710  -0.618
  236    H    GLU  82           H        GLU  82  -5.602  -0.131  -4.442
  237    HA   GLU  82           HA       GLU  82  -7.159   1.946  -5.708
  238   1HB   GLU  82          2HB       GLU  82  -5.167   1.188  -6.761
  239   2HB   GLU  82          3HB       GLU  82  -5.640  -0.508  -6.609
  240   1HG   GLU  82          2HG       GLU  82  -7.486  -0.140  -8.203
  241   2HG   GLU  82          3HG       GLU  82  -7.023   1.555  -8.353
  242    H    THR  83           H        THR  83  -7.867  -1.320  -4.732
  243    HA   THR  83           HA       THR  83 -10.156  -1.633  -6.557
  244    HB   THR  83           HB       THR  83  -9.073  -3.206  -4.198
  245    HG1  THR  83           HG1      THR  83  -8.547  -4.623  -6.037
  246   1HG2  THR  83          1HG2      THR  83 -11.540  -3.473  -5.786
  247   2HG2  THR  83          2HG2      THR  83 -10.577  -4.947  -5.686
  248   3HG2  THR  83          3HG2      THR  83 -11.134  -4.156  -4.211
  249    H    HIS  84           H        HIS  84 -11.281   0.383  -5.783
  250    HA   HIS  84           HA       HIS  84 -12.209   0.644  -3.061
  251   1HB   HIS  84          2HB       HIS  84 -12.066   2.549  -4.528
  252   2HB   HIS  84          3HB       HIS  84 -13.081   1.765  -5.738
  253    HD1  HIS  84           HD1      HIS  84 -15.642   1.525  -5.177
  254    HD2  HIS  84           HD2      HIS  84 -13.477   3.768  -2.409
  255    HE1  HIS  84           HE1      HIS  84 -17.345   2.740  -3.748
  256    H    LYS  85           H        LYS  85 -13.517  -0.937  -2.190
  257    HA   LYS  85           HA       LYS  85 -15.248  -2.661  -3.703
  258   1HB   LYS  85          2HB       LYS  85 -15.301  -1.862  -0.773
  259   2HB   LYS  85          3HB       LYS  85 -16.012  -3.326  -1.464
  260   1HG   LYS  85          2HG       LYS  85 -13.930  -4.296  -1.888
  261   2HG   LYS  85          3HG       LYS  85 -13.097  -2.742  -1.904
  262   1HD   LYS  85          2HD       LYS  85 -12.460  -3.341   0.202
  263   2HD   LYS  85          3HD       LYS  85 -14.067  -2.764   0.642
  264   1HE   LYS  85          2HE       LYS  85 -14.979  -5.000   0.565
  265   2HE   LYS  85          3HE       LYS  85 -13.484  -5.639  -0.145
  266   1HZ   LYS  85          3HZ       LYS  85 -12.509  -4.379   1.974
  267   2HZ   LYS  85          1HZ       LYS  85 -14.027  -4.820   2.596
  268   3HZ   LYS  85          2HZ       LYS  85 -12.973  -6.012   2.012
   
  No H/Q in entry =         268
  Start of MODEL    8
    1   1H    SER  45          1H        SER  45  17.249   2.276  -1.221
    2   2H    SER  45          3H        SER  45  17.183   0.777  -0.424
    3   3H    SER  45          2H        SER  45  18.289   1.963   0.081
    4    HA   SER  45           HA       SER  45  19.585   1.736  -1.890
    5   1HB   SER  45          2HB       SER  45  20.505  -0.217  -1.130
    6   2HB   SER  45          3HB       SER  45  19.258  -0.099   0.107
    7    HG   SER  45           HG       SER  45  18.023  -1.524  -0.995
    8    H    ASP  46           H        ASP  46  16.774  -0.487  -1.996
    9    HA   ASP  46           HA       ASP  46  17.104  -0.805  -4.924
   10   1HB   ASP  46          2HB       ASP  46  16.296  -2.415  -2.827
   11   2HB   ASP  46          3HB       ASP  46  14.761  -1.970  -3.574
   12    H    GLY  47           H        GLY  47  15.166   0.982  -2.637
   13   1HA   GLY  47          2HA       GLY  47  14.147   2.931  -4.222
   14   2HA   GLY  47          3HA       GLY  47  13.067   1.591  -4.609
   15    H    ASP  48           H        ASP  48  13.575   0.640  -1.707
   16    HA   ASP  48           HA       ASP  48  12.600   0.982   0.430
   17   1HB   ASP  48          2HB       ASP  48  13.513   3.361  -0.215
   18   2HB   ASP  48          3HB       ASP  48  11.811   3.738  -0.481
   19    H    GLN  49           H        GLN  49  11.038   0.918  -2.468
   20    HA   GLN  49           HA       GLN  49   8.794   0.700  -3.148
   21   1HB   GLN  49          2HB       GLN  49   8.988  -0.524  -0.414
   22   2HB   GLN  49          3HB       GLN  49   7.541  -0.680  -1.402
   23   1HG   GLN  49          2HG       GLN  49   8.837  -2.615  -1.895
   24   2HG   GLN  49          3HG       GLN  49   9.107  -1.524  -3.256
   25   1HE2  GLN  49          1HE2      GLN  49  12.155  -1.624  -0.487
   26   2HE2  GLN  49          2HE2      GLN  49  10.538  -1.563   0.057
   27    H    CYS  50           H        CYS  50   7.915   1.054   0.253
   28    HA   CYS  50           HA       CYS  50   5.985   3.148  -0.401
   29   1HB   CYS  50          2HB       CYS  50   5.408   1.515   1.243
   30   2HB   CYS  50          3HB       CYS  50   6.930   1.739   2.102
   31    H    ALA  51           H        ALA  51   7.735   4.676  -1.222
   32    HA   ALA  51           HA       ALA  51   9.279   6.014   0.951
   33   1HB   ALA  51          3HB       ALA  51   9.813   5.255  -1.685
   34   2HB   ALA  51          1HB       ALA  51   9.584   7.002  -1.784
   35   3HB   ALA  51          2HB       ALA  51  10.803   6.332  -0.700
   36    H    SER  52           H        SER  52   6.734   6.570  -1.447
   37    HA   SER  52           HA       SER  52   6.234   9.252  -0.193
   38   1HB   SER  52          2HB       SER  52   7.167   8.876  -2.676
   39   2HB   SER  52          3HB       SER  52   5.455   8.638  -3.015
   40    HG   SER  52           HG       SER  52   5.361  10.696  -1.590
   41    H    SER  53           H        SER  53   5.066   6.507   0.356
   42    HA   SER  53           HA       SER  53   2.908   5.738   0.964
   43   1HB   SER  53          2HB       SER  53   2.789   8.387   1.213
   44   2HB   SER  53          3HB       SER  53   1.716   8.239  -0.176
   45    HG   SER  53           HG       SER  53   1.472   7.120   2.408
   46    HA   PRO  54           HA       PRO  54   2.334   4.825  -3.557
   47   1HB   PRO  54          2HB       PRO  54   2.710   2.112  -3.292
   48   2HB   PRO  54          3HB       PRO  54   4.025   3.255  -3.632
   49   1HG   PRO  54          2HG       PRO  54   3.273   1.938  -1.086
   50   2HG   PRO  54          3HG       PRO  54   4.869   2.388  -1.700
   51   1HD   PRO  54          2HD       PRO  54   3.499   3.789   0.222
   52   2HD   PRO  54          3HD       PRO  54   4.749   4.489  -0.829
   53    H    CYS  55           H        CYS  55   0.825   4.225  -0.629
   54    HA   CYS  55           HA       CYS  55  -1.283   2.438  -1.702
   55   1HB   CYS  55          2HB       CYS  55  -1.262   3.757   1.007
   56   2HB   CYS  55          3HB       CYS  55  -1.880   2.167   0.559
   57    H    GLN  56           H        GLN  56  -3.614   3.165  -1.118
   58    HA   GLN  56           HA       GLN  56  -3.954   6.108  -1.487
   59   1HB   GLN  56          2HB       GLN  56  -5.268   3.839  -3.011
   60   2HB   GLN  56          3HB       GLN  56  -5.711   5.538  -3.176
   61   1HG   GLN  56          2HG       GLN  56  -3.669   6.109  -4.169
   62   2HG   GLN  56          3HG       GLN  56  -2.851   4.684  -3.528
   63   1HE2  GLN  56          1HE2      GLN  56  -3.365   3.020  -6.585
   64   2HE2  GLN  56          2HE2      GLN  56  -2.298   3.427  -5.318
   65    H    ASN  57           H        ASN  57  -6.554   6.454  -1.367
   66    HA   ASN  57           HA       ASN  57  -8.327   6.572   0.204
   67   1HB   ASN  57          2HB       ASN  57  -7.745   3.615  -0.121
   68   2HB   ASN  57          3HB       ASN  57  -9.198   4.235   0.663
   69   1HD2  ASN  57          1HD2      ASN  57  -9.129   4.021  -3.330
   70   2HD2  ASN  57          2HD2      ASN  57  -8.007   3.227  -2.321
   71    H    GLY  58           H        GLY  58  -5.980   7.186   1.520
   72   1HA   GLY  58          2HA       GLY  58  -4.885   7.094   3.602
   73   2HA   GLY  58          3HA       GLY  58  -6.512   6.800   4.219
   74    H    GLY  59           H        GLY  59  -4.489   4.727   2.136
   75   1HA   GLY  59          2HA       GLY  59  -4.952   2.515   4.063
   76   2HA   GLY  59          3HA       GLY  59  -4.363   2.327   2.407
   77    H    SER  60           H        SER  60  -3.168   1.311   4.931
   78    HA   SER  60           HA       SER  60  -0.777   2.922   5.440
   79   1HB   SER  60          2HB       SER  60  -2.230   0.814   6.635
   80   2HB   SER  60          3HB       SER  60  -0.640   0.149   6.274
   81    HG   SER  60           HG       SER  60  -1.170   1.537   8.319
   82    H    CYS  61           H        CYS  61   1.439   1.827   5.157
   83    HA   CYS  61           HA       CYS  61   1.497   0.257   2.605
   84   1HB   CYS  61          2HB       CYS  61   3.178   1.688   1.792
   85   2HB   CYS  61          3HB       CYS  61   2.112   2.796   2.648
   86    H    LYS  62           H        LYS  62   2.625  -1.635   2.763
   87    HA   LYS  62           HA       LYS  62   4.221  -2.117   5.240
   88   1HB   LYS  62          2HB       LYS  62   2.330  -3.621   4.493
   89   2HB   LYS  62          3HB       LYS  62   3.309  -4.041   3.087
   90   1HG   LYS  62          2HG       LYS  62   5.156  -4.558   4.888
   91   2HG   LYS  62          3HG       LYS  62   3.773  -4.703   5.975
   92   1HD   LYS  62          2HD       LYS  62   2.745  -6.263   4.234
   93   2HD   LYS  62          3HD       LYS  62   4.330  -6.285   3.460
   94   1HE   LYS  62          2HE       LYS  62   3.984  -8.195   5.074
   95   2HE   LYS  62          3HE       LYS  62   5.357  -7.159   5.514
   96   1HZ   LYS  62          1HZ       LYS  62   2.656  -6.505   6.487
   97   2HZ   LYS  62          2HZ       LYS  62   3.564  -7.691   7.290
   98   3HZ   LYS  62          3HZ       LYS  62   4.164  -6.106   7.159
   99    H    ASP  63           H        ASP  63   6.414  -2.544   5.128
  100    HA   ASP  63           HA       ASP  63   7.681  -2.394   2.414
  101   1HB   ASP  63          2HB       ASP  63   8.283  -0.507   3.734
  102   2HB   ASP  63          3HB       ASP  63   8.490  -1.491   5.184
  103    H    GLN  64           H        GLN  64   8.093  -4.518   1.849
  104    HA   GLN  64           HA       GLN  64   9.255  -6.324   3.932
  105   1HB   GLN  64          2HB       GLN  64   8.626  -7.679   1.476
  106   2HB   GLN  64          3HB       GLN  64   7.865  -7.870   3.050
  107   1HG   GLN  64          2HG       GLN  64   6.379  -5.935   2.541
  108   2HG   GLN  64          3HG       GLN  64   7.112  -5.821   0.941
  109   1HE2  GLN  64          1HE2      GLN  64   4.842  -8.179  -0.339
  110   2HE2  GLN  64          2HE2      GLN  64   5.743  -6.750  -0.577
  111    H    LEU  65           H        LEU  65  10.812  -8.020   2.752
  112    HA   LEU  65           HA       LEU  65  12.998  -6.417   1.619
  113   1HB   LEU  65          2HB       LEU  65  12.931  -8.420   3.362
  114   2HB   LEU  65          3HB       LEU  65  13.043  -9.397   1.898
  115    HG   LEU  65           HG       LEU  65  14.971  -7.655   1.312
  116   1HD1  LEU  65          1HD1      LEU  65  14.548  -7.452   4.274
  117   2HD1  LEU  65          2HD1      LEU  65  16.195  -7.392   3.646
  118   3HD1  LEU  65          3HD1      LEU  65  15.008  -6.198   3.122
  119   1HD2  LEU  65          3HD2      LEU  65  14.951 -10.173   2.918
  120   2HD2  LEU  65          1HD2      LEU  65  15.691  -9.848   1.350
  121   3HD2  LEU  65          2HD2      LEU  65  16.471  -9.284   2.828
  122    H    GLN  66           H        GLN  66  10.472  -8.401   0.423
  123    HA   GLN  66           HA       GLN  66  11.877  -8.887  -2.163
  124   1HB   GLN  66          2HB       GLN  66   9.862 -10.339  -2.550
  125   2HB   GLN  66          3HB       GLN  66  10.751 -10.769  -1.089
  126   1HG   GLN  66          2HG       GLN  66   8.711  -8.716  -0.623
  127   2HG   GLN  66          3HG       GLN  66   8.039 -10.240  -1.204
  128   1HE2  GLN  66          1HE2      GLN  66   9.701 -11.998   1.655
  129   2HE2  GLN  66          2HE2      GLN  66   9.827 -12.093  -0.034
  130    H    SER  67           H        SER  67   9.426  -6.919  -0.688
  131    HA   SER  67           HA       SER  67   9.228  -5.099  -2.886
  132   1HB   SER  67          2HB       SER  67   8.054  -7.425  -3.531
  133   2HB   SER  67          3HB       SER  67   6.710  -6.699  -2.657
  134    HG   SER  67           HG       SER  67   7.665  -6.147  -5.120
  135    H    TYR  68           H        TYR  68   6.167  -4.956  -2.254
  136    HA   TYR  68           HA       TYR  68   6.110  -4.258   0.595
  137   1HB   TYR  68          2HB       TYR  68   5.878  -1.876   0.257
  138   2HB   TYR  68          3HB       TYR  68   7.322  -2.398  -0.612
  139    HD1  TYR  68           HD1      TYR  68   7.312  -2.605  -3.067
  140    HD2  TYR  68           HD2      TYR  68   3.898  -1.121  -0.927
  141    HE1  TYR  68           HE1      TYR  68   6.375  -1.712  -5.184
  142    HE2  TYR  68           HE2      TYR  68   2.961  -0.224  -3.042
  143    HH   TYR  68           HH       TYR  68   3.213  -0.058  -5.237
  144    H    ILE  69           H        ILE  69   3.950  -3.990   1.320
  145    HA   ILE  69           HA       ILE  69   1.805  -4.170  -0.762
  146    HB   ILE  69           HB       ILE  69   2.537  -6.042   1.463
  147   1HG1  ILE  69          2HG1      ILE  69   1.584  -6.264  -1.400
  148   2HG1  ILE  69          3HG1      ILE  69   3.174  -6.685  -0.759
  149   1HG2  ILE  69          1HG2      ILE  69  -0.265  -5.588   0.391
  150   2HG2  ILE  69          2HG2      ILE  69   0.226  -7.018   1.300
  151   3HG2  ILE  69          3HG2      ILE  69   0.264  -5.430   2.067
  152   1HD1  ILE  69          3HD1      ILE  69   1.939  -8.369   0.737
  153   2HD1  ILE  69          1HD1      ILE  69   0.548  -8.104  -0.314
  154   3HD1  ILE  69          2HD1      ILE  69   2.043  -8.761  -0.979
  155    H    CYS  70           H        CYS  70   0.340  -2.575  -0.359
  156    HA   CYS  70           HA       CYS  70   0.322  -1.136   2.182
  157   1HB   CYS  70          2HB       CYS  70  -1.325  -1.021  -0.348
  158   2HB   CYS  70          3HB       CYS  70  -1.491   0.122   0.982
  159    H    PHE  71           H        PHE  71  -1.333  -1.154   3.733
  160    HA   PHE  71           HA       PHE  71  -3.288  -3.413   3.522
  161   1HB   PHE  71          2HB       PHE  71  -2.040  -1.911   5.846
  162   2HB   PHE  71          3HB       PHE  71  -3.311  -3.123   6.039
  163    HD1  PHE  71           HD1      PHE  71  -2.544  -5.079   3.932
  164    HD2  PHE  71           HD2      PHE  71  -0.130  -2.953   6.779
  165    HE1  PHE  71           HE1      PHE  71  -0.842  -6.880   3.834
  166    HE2  PHE  71           HE2      PHE  71   1.571  -4.755   6.682
  167    HZ   PHE  71           HZ       PHE  71   1.214  -6.718   5.210
  168    H    CYS  72           H        CYS  72  -4.744  -2.022   2.242
  169    HA   CYS  72           HA       CYS  72  -5.712   0.526   3.055
  170   1HB   CYS  72          2HB       CYS  72  -7.212  -1.680   1.612
  171   2HB   CYS  72          3HB       CYS  72  -7.481   0.058   1.462
  172    H    LEU  73           H        LEU  73  -8.364   0.523   3.431
  173    HA   LEU  73           HA       LEU  73  -8.688  -0.764   6.095
  174   1HB   LEU  73          2HB       LEU  73 -10.529   1.206   4.726
  175   2HB   LEU  73          3HB       LEU  73 -10.295   0.954   6.455
  176    HG   LEU  73           HG       LEU  73  -8.151   2.011   4.591
  177   1HD1  LEU  73          1HD1      LEU  73  -9.952   3.485   6.541
  178   2HD1  LEU  73          2HD1      LEU  73  -8.603   4.200   5.658
  179   3HD1  LEU  73          3HD1      LEU  73 -10.016   3.610   4.782
  180   1HD2  LEU  73          1HD2      LEU  73  -7.560   0.777   6.785
  181   2HD2  LEU  73          2HD2      LEU  73  -6.872   2.386   6.558
  182   3HD2  LEU  73          3HD2      LEU  73  -8.272   2.165   7.608
  183    HA   PRO  74           HA       PRO  74 -11.875  -3.564   4.976
  184   1HB   PRO  74          2HB       PRO  74 -14.055  -2.089   6.316
  185   2HB   PRO  74          3HB       PRO  74 -13.382  -3.687   6.697
  186   1HG   PRO  74          2HG       PRO  74 -12.962  -1.520   8.243
  187   2HG   PRO  74          3HG       PRO  74 -11.788  -2.833   8.084
  188   1HD   PRO  74          2HD       PRO  74 -11.750  -0.113   6.888
  189   2HD   PRO  74          3HD       PRO  74 -10.400  -1.132   7.436
  190    H    ALA  75           H        ALA  75 -12.207  -0.270   4.163
  191    HA   ALA  75           HA       ALA  75 -14.628  -0.535   2.527
  192   1HB   ALA  75          1HB       ALA  75 -12.520   1.572   3.030
  193   2HB   ALA  75          2HB       ALA  75 -13.797   1.813   1.839
  194   3HB   ALA  75          3HB       ALA  75 -14.209   1.579   3.537
  195    H    PHE  76           H        PHE  76 -11.140  -0.721   2.058
  196    HA   PHE  76           HA       PHE  76 -11.613  -1.192  -0.860
  197   1HB   PHE  76          2HB       PHE  76  -9.053  -0.213   0.421
  198   2HB   PHE  76          3HB       PHE  76  -9.541  -0.086  -1.272
  199    HD1  PHE  76           HD1      PHE  76 -10.143   1.195   2.151
  200    HD2  PHE  76           HD2      PHE  76 -11.022   1.661  -2.028
  201    HE1  PHE  76           HE1      PHE  76 -11.173   3.402   2.615
  202    HE2  PHE  76           HE2      PHE  76 -12.054   3.869  -1.564
  203    HZ   PHE  76           HZ       PHE  76 -12.128   4.739   0.757
  204    H    GLU  77           H        GLU  77  -9.993  -2.719  -1.836
  205    HA   GLU  77           HA       GLU  77  -8.620  -4.540   0.060
  206   1HB   GLU  77          2HB       GLU  77 -11.043  -5.224  -0.177
  207   2HB   GLU  77          3HB       GLU  77 -10.738  -5.494  -1.893
  208   1HG   GLU  77          2HG       GLU  77  -8.654  -6.825  -0.549
  209   2HG   GLU  77          3HG       GLU  77 -10.116  -7.210   0.358
  210    H    GLY  78           H        GLY  78  -6.917  -3.335  -1.340
  211   1HA   GLY  78          2HA       GLY  78  -6.134  -5.130  -3.527
  212   2HA   GLY  78          3HA       GLY  78  -6.474  -3.473  -4.027
  213    H    ARG  79           H        ARG  79  -3.913  -4.471  -4.361
  214    HA   ARG  79           HA       ARG  79  -2.094  -4.052  -2.206
  215   1HB   ARG  79          2HB       ARG  79  -1.748  -5.150  -4.480
  216   2HB   ARG  79          3HB       ARG  79  -1.628  -3.524  -5.154
  217   1HG   ARG  79          2HG       ARG  79   0.557  -3.553  -4.611
  218   2HG   ARG  79          3HG       ARG  79   0.064  -3.500  -2.918
  219   1HD   ARG  79          2HD       ARG  79   1.603  -5.444  -3.532
  220   2HD   ARG  79          3HD       ARG  79   0.074  -5.924  -2.771
  221    HE   ARG  79           HE       ARG  79  -0.712  -6.696  -4.899
  222   1HH1  ARG  79          1HH1      ARG  79   0.474  -4.349  -6.458
  223   2HH1  ARG  79          2HH1      ARG  79   1.624  -5.167  -7.461
  224   1HH2  ARG  79          1HH2      ARG  79   1.576  -8.087  -5.592
  225   2HH2  ARG  79          2HH2      ARG  79   2.249  -7.283  -6.971
  226    H    ASN  80           H        ASN  80  -4.001  -1.804  -3.951
  227    HA   ASN  80           HA       ASN  80  -2.467   0.453  -2.732
  228   1HB   ASN  80          2HB       ASN  80  -3.533   0.411  -5.570
  229   2HB   ASN  80          3HB       ASN  80  -2.471   1.619  -4.845
  230   1HD2  ASN  80          1HD2      ASN  80   0.455  -0.466  -5.062
  231   2HD2  ASN  80          2HD2      ASN  80  -0.247   0.800  -4.160
  232    H    CYS  81           H        CYS  81  -5.139  -0.997  -2.285
  233    HA   CYS  81           HA       CYS  81  -7.316  -0.344  -1.632
  234   1HB   CYS  81          2HB       CYS  81  -6.242   2.467  -1.986
  235   2HB   CYS  81          3HB       CYS  81  -7.498   1.924  -0.874
  236    H    GLU  82           H        GLU  82  -6.182  -0.150  -4.623
  237    HA   GLU  82           HA       GLU  82  -7.905   1.717  -5.982
  238   1HB   GLU  82          2HB       GLU  82  -5.955   0.943  -7.089
  239   2HB   GLU  82          3HB       GLU  82  -6.321  -0.747  -6.726
  240   1HG   GLU  82          2HG       GLU  82  -8.333  -0.579  -8.202
  241   2HG   GLU  82          3HG       GLU  82  -7.839   1.058  -8.633
  242    H    THR  83           H        THR  83  -8.416  -1.463  -4.659
  243    HA   THR  83           HA       THR  83 -10.815  -2.003  -6.290
  244    HB   THR  83           HB       THR  83  -9.657  -3.399  -3.855
  245    HG1  THR  83           HG1      THR  83  -8.111  -3.511  -5.366
  246   1HG2  THR  83          1HG2      THR  83 -11.935  -3.898  -5.647
  247   2HG2  THR  83          2HG2      THR  83 -10.860  -5.283  -5.452
  248   3HG2  THR  83          3HG2      THR  83 -11.606  -4.540  -4.037
  249    H    HIS  84           H        HIS  84 -11.803   0.138  -5.469
  250    HA   HIS  84           HA       HIS  84 -12.575   0.522  -2.747
  251   1HB   HIS  84          2HB       HIS  84 -14.100   1.350  -5.231
  252   2HB   HIS  84          3HB       HIS  84 -14.024   2.196  -3.685
  253    HD1  HIS  84           HD1      HIS  84 -12.428   2.056  -6.951
  254    HD2  HIS  84           HD2      HIS  84 -11.252   3.172  -3.111
  255    HE1  HIS  84           HE1      HIS  84 -10.319   3.432  -7.221
  256    H    LYS  85           H        LYS  85 -13.486  -1.363  -1.816
  257    HA   LYS  85           HA       LYS  85 -15.297  -3.186  -2.919
  258   1HB   LYS  85          2HB       LYS  85 -15.157  -2.015  -0.119
  259   2HB   LYS  85          3HB       LYS  85 -15.972  -3.526  -0.539
  260   1HG   LYS  85          2HG       LYS  85 -13.969  -4.630  -1.017
  261   2HG   LYS  85          3HG       LYS  85 -13.096  -3.126  -1.313
  262   1HD   LYS  85          2HD       LYS  85 -12.280  -3.494   0.788
  263   2HD   LYS  85          3HD       LYS  85 -13.811  -2.769   1.286
  264   1HE   LYS  85          2HE       LYS  85 -13.709  -5.726   0.740
  265   2HE   LYS  85          3HE       LYS  85 -13.124  -5.100   2.295
  266   1HZ   LYS  85          1HZ       LYS  85 -15.627  -4.008   1.263
  267   2HZ   LYS  85          2HZ       LYS  85 -15.678  -5.595   1.867
  268   3HZ   LYS  85          3HZ       LYS  85 -15.163  -4.320   2.864
   
  No H/Q in entry =         268
  Start of MODEL    9
    1   1H    SER  45          2H        SER  45  17.586   8.996  -0.379
    2   2H    SER  45          1H        SER  45  17.490   8.164   1.099
    3   3H    SER  45          3H        SER  45  18.837   7.946   0.091
    4    HA   SER  45           HA       SER  45  17.601   6.744  -1.505
    5   1HB   SER  45          2HB       SER  45  16.702   4.949   0.000
    6   2HB   SER  45          3HB       SER  45  18.288   5.532   0.499
    7    HG   SER  45           HG       SER  45  15.899   6.661   1.497
    8    H    ASP  46           H        ASP  46  15.603   6.337  -2.525
    9    HA   ASP  46           HA       ASP  46  13.022   6.807  -1.378
   10   1HB   ASP  46          2HB       ASP  46  12.598   9.001  -2.590
   11   2HB   ASP  46          3HB       ASP  46  13.732   9.110  -1.245
   12    H    GLY  47           H        GLY  47  13.372   4.719  -2.803
   13   1HA   GLY  47          2HA       GLY  47  11.898   5.120  -5.274
   14   2HA   GLY  47          3HA       GLY  47  13.579   4.670  -5.571
   15    H    ASP  48           H        ASP  48  11.919   3.515  -2.722
   16    HA   ASP  48           HA       ASP  48  12.225   0.736  -3.721
   17   1HB   ASP  48          2HB       ASP  48  11.794   2.114  -1.079
   18   2HB   ASP  48          3HB       ASP  48  11.502   0.381  -1.223
   19    H    GLN  49           H        GLN  49   9.753   1.477  -1.381
   20    HA   GLN  49           HA       GLN  49   7.614   1.132  -3.433
   21   1HB   GLN  49          2HB       GLN  49   7.753  -0.380  -0.828
   22   2HB   GLN  49          3HB       GLN  49   6.658  -0.672  -2.178
   23   1HG   GLN  49          2HG       GLN  49   8.194  -2.259  -2.749
   24   2HG   GLN  49          3HG       GLN  49   9.065  -0.886  -3.433
   25   1HE2  GLN  49          1HE2      GLN  49  10.290  -1.936   0.352
   26   2HE2  GLN  49          2HE2      GLN  49   8.622  -1.802   0.022
   27    H    CYS  50           H        CYS  50   7.947   1.386   0.128
   28    HA   CYS  50           HA       CYS  50   5.579   3.095   0.317
   29   1HB   CYS  50          2HB       CYS  50   7.711   2.127   2.242
   30   2HB   CYS  50          3HB       CYS  50   6.335   3.108   2.747
   31    H    ALA  51           H        ALA  51   8.541   3.802  -0.848
   32    HA   ALA  51           HA       ALA  51   9.223   6.200   0.662
   33   1HB   ALA  51          1HB       ALA  51  10.260   4.533  -1.452
   34   2HB   ALA  51          2HB       ALA  51  10.342   6.224  -1.947
   35   3HB   ALA  51          3HB       ALA  51  11.123   5.703  -0.454
   36    H    SER  52           H        SER  52   6.637   5.578  -1.299
   37    HA   SER  52           HA       SER  52   6.309   8.461  -1.949
   38   1HB   SER  52          2HB       SER  52   5.836   7.924  -4.290
   39   2HB   SER  52          3HB       SER  52   7.428   7.303  -3.863
   40    HG   SER  52           HG       SER  52   5.908   5.842  -5.005
   41    H    SER  53           H        SER  53   5.041   6.356  -0.141
   42    HA   SER  53           HA       SER  53   2.866   5.614   0.448
   43   1HB   SER  53          2HB       SER  53   3.017   8.393  -0.151
   44   2HB   SER  53          3HB       SER  53   1.464   7.820  -0.752
   45    HG   SER  53           HG       SER  53   1.523   6.679   1.464
   46    HA   PRO  54           HA       PRO  54   1.902   4.263  -3.889
   47   1HB   PRO  54          2HB       PRO  54   2.281   1.588  -3.467
   48   2HB   PRO  54          3HB       PRO  54   3.600   2.684  -3.934
   49   1HG   PRO  54          2HG       PRO  54   2.938   1.544  -1.276
   50   2HG   PRO  54          3HG       PRO  54   4.514   1.904  -1.991
   51   1HD   PRO  54          2HD       PRO  54   3.243   3.475  -0.111
   52   2HD   PRO  54          3HD       PRO  54   4.504   4.046  -1.227
   53    H    CYS  55           H        CYS  55   0.690   3.910  -0.778
   54    HA   CYS  55           HA       CYS  55  -1.575   2.149  -1.559
   55   1HB   CYS  55          2HB       CYS  55  -1.188   3.455   1.127
   56   2HB   CYS  55          3HB       CYS  55  -1.885   1.879   0.755
   57    H    GLN  56           H        GLN  56  -3.794   2.958  -0.733
   58    HA   GLN  56           HA       GLN  56  -4.081   5.915  -0.905
   59   1HB   GLN  56          2HB       GLN  56  -5.468   3.847  -2.640
   60   2HB   GLN  56          3HB       GLN  56  -5.844   5.570  -2.637
   61   1HG   GLN  56          2HG       GLN  56  -3.576   6.105  -3.351
   62   2HG   GLN  56          3HG       GLN  56  -3.119   4.404  -3.257
   63   1HE2  GLN  56          1HE2      GLN  56  -5.496   3.692  -6.079
   64   2HE2  GLN  56          2HE2      GLN  56  -5.410   3.207  -4.446
   65    H    ASN  57           H        ASN  57  -6.687   6.269  -0.776
   66    HA   ASN  57           HA       ASN  57  -8.461   6.269   0.798
   67   1HB   ASN  57          2HB       ASN  57  -8.006   3.283   0.533
   68   2HB   ASN  57          3HB       ASN  57  -9.535   4.105   0.844
   69   1HD2  ASN  57          1HD2      ASN  57  -8.846   3.333  -2.902
   70   2HD2  ASN  57          2HD2      ASN  57  -8.455   2.388  -1.538
   71    H    GLY  58           H        GLY  58  -6.345   6.906   2.266
   72   1HA   GLY  58          2HA       GLY  58  -5.250   6.671   4.339
   73   2HA   GLY  58          3HA       GLY  58  -6.837   6.127   4.879
   74    H    GLY  59           H        GLY  59  -4.719   4.485   2.543
   75   1HA   GLY  59          2HA       GLY  59  -4.840   2.082   4.285
   76   2HA   GLY  59          3HA       GLY  59  -4.352   2.095   2.586
   77    H    SER  60           H        SER  60  -2.972   1.153   5.164
   78    HA   SER  60           HA       SER  60  -0.646   2.907   5.443
   79   1HB   SER  60          2HB       SER  60  -1.412   0.141   6.409
   80   2HB   SER  60          3HB       SER  60   0.118   0.905   6.835
   81    HG   SER  60           HG       SER  60  -2.269   2.336   7.166
   82    H    CYS  61           H        CYS  61   1.593   2.032   5.004
   83    HA   CYS  61           HA       CYS  61   1.606   0.356   2.512
   84   1HB   CYS  61          2HB       CYS  61   2.209   2.799   2.330
   85   2HB   CYS  61          3HB       CYS  61   3.567   2.490   3.411
   86    H    LYS  62           H        LYS  62   2.277  -1.672   3.133
   87    HA   LYS  62           HA       LYS  62   4.137  -2.076   5.372
   88   1HB   LYS  62          2HB       LYS  62   2.261  -3.610   4.830
   89   2HB   LYS  62          3HB       LYS  62   3.012  -3.962   3.276
   90   1HG   LYS  62          2HG       LYS  62   3.664  -5.745   4.712
   91   2HG   LYS  62          3HG       LYS  62   5.076  -4.694   4.583
   92   1HD   LYS  62          2HD       LYS  62   4.767  -5.263   6.916
   93   2HD   LYS  62          3HD       LYS  62   4.345  -3.563   6.701
   94   1HE   LYS  62          2HE       LYS  62   1.950  -4.155   6.597
   95   2HE   LYS  62          3HE       LYS  62   2.365  -5.868   6.806
   96   1HZ   LYS  62          1HZ       LYS  62   3.419  -3.855   8.680
   97   2HZ   LYS  62          2HZ       LYS  62   1.842  -4.446   8.889
   98   3HZ   LYS  62          3HZ       LYS  62   3.161  -5.516   8.926
   99    H    ASP  63           H        ASP  63   6.311  -2.796   5.162
  100    HA   ASP  63           HA       ASP  63   7.460  -2.639   2.393
  101   1HB   ASP  63          2HB       ASP  63   7.941  -0.655   3.783
  102   2HB   ASP  63          3HB       ASP  63   8.603  -1.696   5.044
  103    H    GLN  64           H        GLN  64   7.958  -4.768   1.919
  104    HA   GLN  64           HA       GLN  64   9.326  -6.361   4.066
  105   1HB   GLN  64          2HB       GLN  64   8.496  -8.246   2.326
  106   2HB   GLN  64          3HB       GLN  64   7.466  -7.640   3.618
  107   1HG   GLN  64          2HG       GLN  64   6.223  -6.278   2.163
  108   2HG   GLN  64          3HG       GLN  64   7.488  -6.280   0.935
  109   1HE2  GLN  64          1HE2      GLN  64   5.181  -8.653  -0.535
  110   2HE2  GLN  64          2HE2      GLN  64   5.499  -6.978  -0.451
  111    H    LEU  65           H        LEU  65  10.753  -8.170   2.939
  112    HA   LEU  65           HA       LEU  65  12.794  -6.772   1.414
  113   1HB   LEU  65          2HB       LEU  65  12.647  -8.902   3.152
  114   2HB   LEU  65          3HB       LEU  65  12.922  -9.703   1.604
  115    HG   LEU  65           HG       LEU  65  15.070  -9.175   2.655
  116   1HD1  LEU  65          3HD1      LEU  65  14.826  -8.998   0.173
  117   2HD1  LEU  65          1HD1      LEU  65  14.501  -7.275   0.360
  118   3HD1  LEU  65          2HD1      LEU  65  16.074  -7.930   0.814
  119   1HD2  LEU  65          1HD2      LEU  65  13.812  -7.005   3.703
  120   2HD2  LEU  65          2HD2      LEU  65  15.566  -7.152   3.604
  121   3HD2  LEU  65          3HD2      LEU  65  14.686  -6.245   2.373
  122    H    GLN  66           H        GLN  66  10.080  -8.734   0.592
  123    HA   GLN  66           HA       GLN  66  11.127  -9.436  -2.086
  124   1HB   GLN  66          2HB       GLN  66   9.027 -10.665  -2.245
  125   2HB   GLN  66          3HB       GLN  66   9.718 -10.948  -0.646
  126   1HG   GLN  66          2HG       GLN  66   8.246  -9.280   0.339
  127   2HG   GLN  66          3HG       GLN  66   7.623  -8.841  -1.251
  128   1HE2  GLN  66          1HE2      GLN  66   6.226 -12.191   0.612
  129   2HE2  GLN  66          2HE2      GLN  66   7.521 -11.314   1.274
  130    H    SER  67           H        SER  67   8.844  -7.218  -0.576
  131    HA   SER  67           HA       SER  67   8.948  -5.285  -2.681
  132   1HB   SER  67          2HB       SER  67   7.794  -7.096  -3.910
  133   2HB   SER  67          3HB       SER  67   6.559  -7.166  -2.656
  134    HG   SER  67           HG       SER  67   6.602  -5.629  -4.780
  135    H    TYR  68           H        TYR  68   5.711  -5.425  -1.905
  136    HA   TYR  68           HA       TYR  68   5.870  -4.489   0.860
  137   1HB   TYR  68          2HB       TYR  68   5.080  -2.185   0.247
  138   2HB   TYR  68          3HB       TYR  68   6.715  -2.548  -0.316
  139    HD1  TYR  68           HD1      TYR  68   6.862  -3.603  -2.741
  140    HD2  TYR  68           HD2      TYR  68   3.523  -1.338  -1.266
  141    HE1  TYR  68           HE1      TYR  68   6.156  -3.126  -5.070
  142    HE2  TYR  68           HE2      TYR  68   2.819  -0.858  -3.595
  143    HH   TYR  68           HH       TYR  68   4.447  -0.862  -6.043
  144    H    ILE  69           H        ILE  69   3.626  -3.734   1.580
  145    HA   ILE  69           HA       ILE  69   1.395  -4.700  -0.124
  146    HB   ILE  69           HB       ILE  69   2.483  -5.984   2.356
  147   1HG1  ILE  69          2HG1      ILE  69   1.044  -7.701   0.593
  148   2HG1  ILE  69          3HG1      ILE  69   2.036  -6.621  -0.389
  149   1HG2  ILE  69          3HG2      ILE  69   0.174  -5.301   2.974
  150   2HG2  ILE  69          1HG2      ILE  69  -0.435  -6.107   1.528
  151   3HG2  ILE  69          2HG2      ILE  69   0.319  -7.051   2.813
  152   1HD1  ILE  69          3HD1      ILE  69   3.964  -7.178   1.198
  153   2HD1  ILE  69          1HD1      ILE  69   2.943  -8.470   1.828
  154   3HD1  ILE  69          2HD1      ILE  69   3.441  -8.487   0.136
  155    H    CYS  70           H        CYS  70   0.094  -2.917  -0.025
  156    HA   CYS  70           HA       CYS  70   0.032  -1.189   2.326
  157   1HB   CYS  70          2HB       CYS  70  -1.565  -1.319  -0.236
  158   2HB   CYS  70          3HB       CYS  70  -1.692  -0.018   0.944
  159    H    PHE  71           H        PHE  71  -1.269  -1.499   4.069
  160    HA   PHE  71           HA       PHE  71  -3.419  -3.536   3.946
  161   1HB   PHE  71          2HB       PHE  71  -1.968  -1.972   6.086
  162   2HB   PHE  71          3HB       PHE  71  -3.415  -2.912   6.469
  163    HD1  PHE  71           HD1      PHE  71  -0.056  -3.191   4.839
  164    HD2  PHE  71           HD2      PHE  71  -3.262  -5.230   6.844
  165    HE1  PHE  71           HE1      PHE  71   1.308  -5.263   4.914
  166    HE2  PHE  71           HE2      PHE  71  -1.899  -7.300   6.918
  167    HZ   PHE  71           HZ       PHE  71   0.386  -7.316   5.953
  168    H    CYS  72           H        CYS  72  -4.964  -2.311   2.663
  169    HA   CYS  72           HA       CYS  72  -5.855   0.341   3.398
  170   1HB   CYS  72          2HB       CYS  72  -7.382  -1.784   1.874
  171   2HB   CYS  72          3HB       CYS  72  -7.477  -0.034   1.671
  172    H    LEU  73           H        LEU  73  -8.625   0.146   3.496
  173    HA   LEU  73           HA       LEU  73  -9.052  -1.209   6.134
  174   1HB   LEU  73          2HB       LEU  73 -10.724   0.989   4.906
  175   2HB   LEU  73          3HB       LEU  73 -10.550   0.572   6.610
  176    HG   LEU  73           HG       LEU  73  -7.940   1.135   5.714
  177   1HD1  LEU  73          3HD1      LEU  73  -8.959   2.214   3.724
  178   2HD1  LEU  73          1HD1      LEU  73  -9.919   3.244   4.786
  179   3HD1  LEU  73          2HD1      LEU  73  -8.162   3.395   4.764
  180   1HD2  LEU  73          3HD2      LEU  73  -9.931   2.833   7.260
  181   2HD2  LEU  73          1HD2      LEU  73  -8.848   1.621   7.947
  182   3HD2  LEU  73          2HD2      LEU  73  -8.187   3.094   7.234
  183    HA   PRO  74           HA       PRO  74 -12.374  -3.666   4.653
  184   1HB   PRO  74          2HB       PRO  74 -14.507  -2.184   6.055
  185   2HB   PRO  74          3HB       PRO  74 -13.940  -3.847   6.314
  186   1HG   PRO  74          2HG       PRO  74 -13.457  -1.845   8.058
  187   2HG   PRO  74          3HG       PRO  74 -12.361  -3.215   7.829
  188   1HD   PRO  74          2HD       PRO  74 -12.105  -0.412   6.873
  189   2HD   PRO  74          3HD       PRO  74 -10.844  -1.560   7.378
  190    H    ALA  75           H        ALA  75 -12.435  -0.303   4.134
  191    HA   ALA  75           HA       ALA  75 -14.800  -0.275   2.378
  192   1HB   ALA  75          1HB       ALA  75 -12.669   1.690   3.240
  193   2HB   ALA  75          2HB       ALA  75 -13.898   2.112   2.046
  194   3HB   ALA  75          3HB       ALA  75 -14.376   1.675   3.687
  195    H    PHE  76           H        PHE  76 -11.270  -0.352   2.075
  196    HA   PHE  76           HA       PHE  76 -11.609  -0.594  -0.891
  197   1HB   PHE  76          2HB       PHE  76  -9.185   0.479   0.566
  198   2HB   PHE  76          3HB       PHE  76  -9.612   0.689  -1.136
  199    HD1  PHE  76           HD1      PHE  76 -10.395   1.706   2.331
  200    HD2  PHE  76           HD2      PHE  76 -11.262   2.323  -1.831
  201    HE1  PHE  76           HE1      PHE  76 -11.623   3.786   2.895
  202    HE2  PHE  76           HE2      PHE  76 -12.490   4.402  -1.268
  203    HZ   PHE  76           HZ       PHE  76 -12.671   5.134   1.096
  204    H    GLU  77           H        GLU  77  -9.339  -1.576  -1.744
  205    HA   GLU  77           HA       GLU  77  -8.060  -3.546  -0.030
  206   1HB   GLU  77          2HB       GLU  77 -10.128  -4.713  -0.195
  207   2HB   GLU  77          3HB       GLU  77 -10.313  -4.301  -1.900
  208   1HG   GLU  77          2HG       GLU  77  -8.700  -5.855  -2.587
  209   2HG   GLU  77          3HG       GLU  77  -7.947  -5.921  -0.993
  210    H    GLY  78           H        GLY  78  -6.370  -4.692  -1.210
  211   1HA   GLY  78          2HA       GLY  78  -5.500  -5.195  -3.558
  212   2HA   GLY  78          3HA       GLY  78  -5.809  -3.489  -3.891
  213    H    ARG  79           H        ARG  79  -3.237  -4.661  -4.154
  214    HA   ARG  79           HA       ARG  79  -1.513  -4.392  -1.920
  215   1HB   ARG  79          2HB       ARG  79  -0.853  -5.436  -4.005
  216   2HB   ARG  79          3HB       ARG  79  -1.125  -3.936  -4.893
  217   1HG   ARG  79          2HG       ARG  79   0.807  -2.950  -4.099
  218   2HG   ARG  79          3HG       ARG  79   0.777  -3.864  -2.590
  219   1HD   ARG  79          2HD       ARG  79   1.341  -5.154  -5.279
  220   2HD   ARG  79          3HD       ARG  79   2.616  -4.571  -4.191
  221    HE   ARG  79           HE       ARG  79   0.977  -6.101  -2.552
  222   1HH1  ARG  79          1HH1      ARG  79   3.569  -6.465  -4.643
  223   2HH1  ARG  79          2HH1      ARG  79   3.467  -8.190  -4.758
  224   1HH2  ARG  79          1HH2      ARG  79   0.450  -8.388  -3.060
  225   2HH2  ARG  79          2HH2      ARG  79   1.701  -9.279  -3.861
  226    H    ASN  80           H        ASN  80  -3.239  -1.962  -3.641
  227    HA   ASN  80           HA       ASN  80  -1.781   0.143  -2.121
  228   1HB   ASN  80          2HB       ASN  80  -2.176  -0.028  -5.120
  229   2HB   ASN  80          3HB       ASN  80  -1.727   1.468  -4.299
  230   1HD2  ASN  80          1HD2      ASN  80   1.138  -1.210  -5.118
  231   2HD2  ASN  80          2HD2      ASN  80  -0.428  -1.273  -5.793
  232    H    CYS  81           H        CYS  81  -4.443  -0.989  -1.767
  233    HA   CYS  81           HA       CYS  81  -6.726  -0.325  -1.669
  234   1HB   CYS  81          2HB       CYS  81  -5.426   2.404  -1.458
  235   2HB   CYS  81          3HB       CYS  81  -6.898   1.849  -0.663
  236    H    GLU  82           H        GLU  82  -5.365  -0.248  -4.395
  237    HA   GLU  82           HA       GLU  82  -6.497   2.051  -5.795
  238   1HB   GLU  82          2HB       GLU  82  -4.507   1.137  -6.681
  239   2HB   GLU  82          3HB       GLU  82  -5.090  -0.521  -6.509
  240   1HG   GLU  82          2HG       GLU  82  -6.797  -0.073  -8.263
  241   2HG   GLU  82          3HG       GLU  82  -6.134   1.548  -8.468
  242    H    THR  83           H        THR  83  -7.673  -1.048  -4.808
  243    HA   THR  83           HA       THR  83  -9.886  -0.954  -6.815
  244    HB   THR  83           HB       THR  83  -8.937  -3.091  -4.878
  245    HG1  THR  83           HG1      THR  83  -8.512  -2.553  -7.609
  246   1HG2  THR  83          3HG2      THR  83 -11.408  -2.805  -6.247
  247   2HG2  THR  83          1HG2      THR  83 -10.499  -4.066  -7.079
  248   3HG2  THR  83          2HG2      THR  83 -10.825  -4.208  -5.351
  249    H    HIS  84           H        HIS  84 -11.117   0.741  -5.745
  250    HA   HIS  84           HA       HIS  84 -11.849   0.703  -2.971
  251   1HB   HIS  84          2HB       HIS  84 -13.316   1.828  -5.380
  252   2HB   HIS  84          3HB       HIS  84 -13.502   2.359  -3.709
  253    HD1  HIS  84           HD1      HIS  84 -11.106   2.470  -6.605
  254    HD2  HIS  84           HD2      HIS  84 -11.391   3.990  -2.733
  255    HE1  HIS  84           HE1      HIS  84  -9.272   4.201  -6.378
  256    H    LYS  85           H        LYS  85 -13.288  -0.632  -1.938
  257    HA   LYS  85           HA       LYS  85 -14.634  -2.795  -3.233
  258   1HB   LYS  85          2HB       LYS  85 -15.205  -1.410  -0.590
  259   2HB   LYS  85          3HB       LYS  85 -15.686  -3.054  -1.021
  260   1HG   LYS  85          2HG       LYS  85 -13.272  -3.626  -1.337
  261   2HG   LYS  85          3HG       LYS  85 -12.850  -2.016  -0.756
  262   1HD   LYS  85          2HD       LYS  85 -12.934  -2.809   1.347
  263   2HD   LYS  85          3HD       LYS  85 -14.666  -3.066   1.132
  264   1HE   LYS  85          2HE       LYS  85 -13.657  -5.247  -0.183
  265   2HE   LYS  85          3HE       LYS  85 -12.468  -5.041   1.118
  266   1HZ   LYS  85          1HZ       LYS  85 -15.336  -4.757   1.709
  267   2HZ   LYS  85          2HZ       LYS  85 -14.666  -6.315   1.594
  268   3HZ   LYS  85          3HZ       LYS  85 -14.067  -5.218   2.741
   
  No H/Q in entry =         268
  Start of MODEL   10
    1   1H    SER  45          2H        SER  45  17.705   1.204   8.099
    2   2H    SER  45          1H        SER  45  17.608   2.338   9.360
    3   3H    SER  45          3H        SER  45  16.532   1.025   9.309
    4    HA   SER  45           HA       SER  45  15.358   2.972   8.567
    5   1HB   SER  45          2HB       SER  45  17.696   3.167   6.641
    6   2HB   SER  45          3HB       SER  45  16.327   4.274   6.705
    7    HG   SER  45           HG       SER  45  18.462   3.928   8.485
    8    H    ASP  46           H        ASP  46  17.106   1.616   5.768
    9    HA   ASP  46           HA       ASP  46  16.202   0.545   3.848
   10   1HB   ASP  46          2HB       ASP  46  15.512  -1.656   4.463
   11   2HB   ASP  46          3HB       ASP  46  16.598  -1.136   5.750
   12    H    GLY  47           H        GLY  47  13.766  -0.818   3.511
   13   1HA   GLY  47          2HA       GLY  47  11.505  -0.443   3.002
   14   2HA   GLY  47          3HA       GLY  47  11.469   0.663   4.376
   15    H    ASP  48           H        ASP  48  12.562   0.482   0.981
   16    HA   ASP  48           HA       ASP  48  12.403   3.452   0.802
   17   1HB   ASP  48          2HB       ASP  48  13.590   1.209  -0.829
   18   2HB   ASP  48          3HB       ASP  48  13.416   2.824  -1.515
   19    H    GLN  49           H        GLN  49  11.019   0.497  -0.624
   20    HA   GLN  49           HA       GLN  49   9.506   1.404  -2.735
   21   1HB   GLN  49          2HB       GLN  49   8.758  -0.429  -0.463
   22   2HB   GLN  49          3HB       GLN  49   7.830  -0.317  -1.952
   23   1HG   GLN  49          2HG       GLN  49  10.741  -1.127  -1.694
   24   2HG   GLN  49          3HG       GLN  49   9.393  -2.182  -2.123
   25   1HE2  GLN  49          1HE2      GLN  49   9.081   0.151  -5.175
   26   2HE2  GLN  49          2HE2      GLN  49   8.183   0.142  -3.730
   27    H    CYS  50           H        CYS  50   8.541   1.633   0.697
   28    HA   CYS  50           HA       CYS  50   6.183   3.261   0.034
   29   1HB   CYS  50          2HB       CYS  50   7.510   2.343   2.603
   30   2HB   CYS  50          3HB       CYS  50   5.986   3.232   2.553
   31    H    ALA  51           H        ALA  51   8.491   4.568  -0.894
   32    HA   ALA  51           HA       ALA  51   9.231   6.590   1.149
   33   1HB   ALA  51          3HB       ALA  51  10.928   5.506  -0.298
   34   2HB   ALA  51          1HB       ALA  51  10.101   6.132  -1.725
   35   3HB   ALA  51          2HB       ALA  51  10.864   7.244  -0.589
   36    H    SER  52           H        SER  52   6.477   6.410  -0.155
   37    HA   SER  52           HA       SER  52   6.035   9.231  -0.529
   38   1HB   SER  52          2HB       SER  52   5.825   9.316  -2.919
   39   2HB   SER  52          3HB       SER  52   7.357   8.511  -2.593
   40    HG   SER  52           HG       SER  52   6.572   6.718  -3.386
   41    H    SER  53           H        SER  53   4.829   6.869   0.798
   42    HA   SER  53           HA       SER  53   2.711   5.825   1.067
   43   1HB   SER  53          2HB       SER  53   1.040   7.502   1.266
   44   2HB   SER  53          3HB       SER  53   2.551   8.368   1.525
   45    HG   SER  53           HG       SER  53   2.365   9.295  -0.401
   46    HA   PRO  54           HA       PRO  54   2.228   5.122  -3.512
   47   1HB   PRO  54          2HB       PRO  54   2.899   2.466  -3.479
   48   2HB   PRO  54          3HB       PRO  54   4.092   3.765  -3.688
   49   1HG   PRO  54          2HG       PRO  54   3.455   2.152  -1.283
   50   2HG   PRO  54          3HG       PRO  54   5.006   2.803  -1.830
   51   1HD   PRO  54          2HD       PRO  54   3.472   3.894   0.182
   52   2HD   PRO  54          3HD       PRO  54   4.686   4.786  -0.763
   53    H    CYS  55           H        CYS  55   0.816   4.228  -0.634
   54    HA   CYS  55           HA       CYS  55  -1.017   2.159  -1.604
   55   1HB   CYS  55          2HB       CYS  55  -1.345   3.904   0.843
   56   2HB   CYS  55          3HB       CYS  55  -1.833   2.222   0.626
   57    H    GLN  56           H        GLN  56  -3.493   2.694  -1.191
   58    HA   GLN  56           HA       GLN  56  -4.085   5.393  -2.345
   59   1HB   GLN  56          2HB       GLN  56  -5.210   2.659  -3.002
   60   2HB   GLN  56          3HB       GLN  56  -5.898   4.166  -3.609
   61   1HG   GLN  56          2HG       GLN  56  -3.745   4.735  -4.661
   62   2HG   GLN  56          3HG       GLN  56  -3.048   3.233  -4.054
   63   1HE2  GLN  56          1HE2      GLN  56  -6.087   2.693  -6.776
   64   2HE2  GLN  56          2HE2      GLN  56  -6.297   3.801  -5.496
   65    H    ASN  57           H        ASN  57  -6.494   5.923  -2.047
   66    HA   ASN  57           HA       ASN  57  -8.113   6.528  -0.416
   67   1HB   ASN  57          2HB       ASN  57  -8.028   3.503  -0.202
   68   2HB   ASN  57          3HB       ASN  57  -9.404   4.531   0.194
   69   1HD2  ASN  57          1HD2      ASN  57  -8.695   3.538  -3.677
   70   2HD2  ASN  57          2HD2      ASN  57  -7.702   2.965  -2.414
   71    H    GLY  58           H        GLY  58  -5.897   7.172   0.859
   72   1HA   GLY  58          2HA       GLY  58  -4.705   7.158   2.899
   73   2HA   GLY  58          3HA       GLY  58  -6.330   7.025   3.569
   74    H    GLY  59           H        GLY  59  -4.123   4.771   1.848
   75   1HA   GLY  59          2HA       GLY  59  -4.833   2.741   3.923
   76   2HA   GLY  59          3HA       GLY  59  -4.243   2.356   2.301
   77    H    SER  60           H        SER  60  -3.018   1.339   4.668
   78    HA   SER  60           HA       SER  60  -0.630   2.948   5.253
   79   1HB   SER  60          2HB       SER  60  -1.759   1.523   6.924
   80   2HB   SER  60          3HB       SER  60  -1.446   0.102   5.933
   81    HG   SER  60           HG       SER  60   0.272   0.088   7.208
   82    H    CYS  61           H        CYS  61   1.581   1.979   4.897
   83    HA   CYS  61           HA       CYS  61   1.678   0.468   2.304
   84   1HB   CYS  61          2HB       CYS  61   2.467   2.931   2.531
   85   2HB   CYS  61          3HB       CYS  61   3.827   2.265   3.433
   86    H    LYS  62           H        LYS  62   2.645  -1.535   2.426
   87    HA   LYS  62           HA       LYS  62   4.344  -2.093   4.844
   88   1HB   LYS  62          2HB       LYS  62   2.496  -3.523   4.965
   89   2HB   LYS  62          3HB       LYS  62   2.378  -3.679   3.218
   90   1HG   LYS  62          2HG       LYS  62   4.545  -4.968   3.255
   91   2HG   LYS  62          3HG       LYS  62   4.462  -4.939   5.018
   92   1HD   LYS  62          2HD       LYS  62   1.933  -5.794   3.880
   93   2HD   LYS  62          3HD       LYS  62   3.254  -6.816   3.314
   94   1HE   LYS  62          2HE       LYS  62   3.784  -7.558   5.464
   95   2HE   LYS  62          3HE       LYS  62   3.095  -6.116   6.237
   96   1HZ   LYS  62          3HZ       LYS  62   0.898  -6.819   5.445
   97   2HZ   LYS  62          1HZ       LYS  62   1.579  -8.243   4.817
   98   3HZ   LYS  62          2HZ       LYS  62   1.585  -7.967   6.491
   99    H    ASP  63           H        ASP  63   6.262  -3.413   4.475
  100    HA   ASP  63           HA       ASP  63   7.245  -3.300   1.640
  101   1HB   ASP  63          2HB       ASP  63   8.460  -2.710   4.323
  102   2HB   ASP  63          3HB       ASP  63   9.509  -3.241   3.007
  103    H    GLN  64           H        GLN  64   7.735  -5.275   0.779
  104    HA   GLN  64           HA       GLN  64   8.017  -7.594   2.653
  105   1HB   GLN  64          2HB       GLN  64   7.684  -8.393  -0.084
  106   2HB   GLN  64          3HB       GLN  64   6.569  -8.620   1.257
  107   1HG   GLN  64          2HG       GLN  64   5.747  -6.259   0.856
  108   2HG   GLN  64          3HG       GLN  64   6.725  -6.241  -0.613
  109   1HE2  GLN  64          1HE2      GLN  64   3.582  -8.911  -0.502
  110   2HE2  GLN  64          2HE2      GLN  64   4.435  -8.580   0.937
  111    H    LEU  65           H        LEU  65  10.215  -5.753   1.950
  112    HA   LEU  65           HA       LEU  65  12.517  -5.979   1.511
  113   1HB   LEU  65          2HB       LEU  65  11.449  -8.621   1.946
  114   2HB   LEU  65          3HB       LEU  65  12.717  -8.684   0.722
  115    HG   LEU  65           HG       LEU  65  13.374  -6.954   3.004
  116   1HD1  LEU  65          3HD1      LEU  65  12.013  -8.858   4.035
  117   2HD1  LEU  65          1HD1      LEU  65  13.288  -9.941   3.477
  118   3HD1  LEU  65          2HD1      LEU  65  13.658  -8.669   4.642
  119   1HD2  LEU  65          3HD2      LEU  65  14.665  -9.163   1.402
  120   2HD2  LEU  65          1HD2      LEU  65  15.114  -7.460   1.484
  121   3HD2  LEU  65          2HD2      LEU  65  15.435  -8.523   2.853
  122    H    GLN  66           H        GLN  66  11.523  -8.509  -0.671
  123    HA   GLN  66           HA       GLN  66  12.919  -7.576  -2.938
  124   1HB   GLN  66          2HB       GLN  66  11.626  -9.230  -4.113
  125   2HB   GLN  66          3HB       GLN  66  11.829  -9.837  -2.469
  126   1HG   GLN  66          2HG       GLN  66   9.601  -8.911  -1.875
  127   2HG   GLN  66          3HG       GLN  66   9.394  -8.384  -3.545
  128   1HE2  GLN  66          1HE2      GLN  66   9.643 -12.463  -3.058
  129   2HE2  GLN  66          2HE2      GLN  66  10.740 -11.462  -2.237
  130    H    SER  67           H        SER  67   9.557  -6.979  -1.951
  131    HA   SER  67           HA       SER  67   9.519  -4.553  -3.676
  132   1HB   SER  67          2HB       SER  67   7.586  -5.288  -4.856
  133   2HB   SER  67          3HB       SER  67   8.633  -6.704  -4.819
  134    HG   SER  67           HG       SER  67   7.377  -7.009  -2.676
  135    H    TYR  68           H        TYR  68   6.474  -4.673  -3.137
  136    HA   TYR  68           HA       TYR  68   6.277  -4.444  -0.219
  137   1HB   TYR  68          2HB       TYR  68   5.748  -2.008  -0.319
  138   2HB   TYR  68          3HB       TYR  68   7.404  -2.361  -0.831
  139    HD1  TYR  68           HD1      TYR  68   7.853  -2.633  -3.349
  140    HD2  TYR  68           HD2      TYR  68   4.255  -0.897  -1.768
  141    HE1  TYR  68           HE1      TYR  68   7.400  -1.571  -5.544
  142    HE2  TYR  68           HE2      TYR  68   3.802   0.164  -3.963
  143    HH   TYR  68           HH       TYR  68   5.729   0.824  -6.116
  144    H    ILE  69           H        ILE  69   4.001  -3.621   0.357
  145    HA   ILE  69           HA       ILE  69   1.978  -3.896  -1.781
  146    HB   ILE  69           HB       ILE  69   2.702  -6.197  -0.948
  147   1HG1  ILE  69          2HG1      ILE  69   0.166  -6.759  -0.329
  148   2HG1  ILE  69          3HG1      ILE  69  -0.083  -5.106  -0.895
  149   1HG2  ILE  69          3HG2      ILE  69   2.947  -5.369   1.445
  150   2HG2  ILE  69          1HG2      ILE  69   1.186  -5.375   1.541
  151   3HG2  ILE  69          2HG2      ILE  69   2.059  -6.882   1.261
  152   1HD1  ILE  69          3HD1      ILE  69   1.635  -6.205  -2.791
  153   2HD1  ILE  69          1HD1      ILE  69   0.509  -7.514  -2.432
  154   3HD1  ILE  69          2HD1      ILE  69  -0.101  -5.955  -2.986
  155    H    CYS  70           H        CYS  70   0.553  -2.251  -1.298
  156    HA   CYS  70           HA       CYS  70   0.435  -1.200   1.457
  157   1HB   CYS  70          2HB       CYS  70  -0.552  -0.415  -1.265
  158   2HB   CYS  70          3HB       CYS  70  -1.213   0.369   0.171
  159    H    PHE  71           H        PHE  71  -1.891  -0.559   2.178
  160    HA   PHE  71           HA       PHE  71  -3.891  -2.679   1.535
  161   1HB   PHE  71          2HB       PHE  71  -2.936  -1.822   4.293
  162   2HB   PHE  71          3HB       PHE  71  -4.225  -2.989   3.976
  163    HD1  PHE  71           HD1      PHE  71  -3.391  -4.767   1.997
  164    HD2  PHE  71           HD2      PHE  71  -0.937  -2.817   4.935
  165    HE1  PHE  71           HE1      PHE  71  -1.709  -6.577   1.794
  166    HE2  PHE  71           HE2      PHE  71   0.745  -4.628   4.733
  167    HZ   PHE  71           HZ       PHE  71   0.358  -6.509   3.162
  168    H    CYS  72           H        CYS  72  -5.415  -1.559   3.940
  169    HA   CYS  72           HA       CYS  72  -5.880   1.247   3.537
  170   1HB   CYS  72          2HB       CYS  72  -6.898  -0.611   1.596
  171   2HB   CYS  72          3HB       CYS  72  -8.248   0.179   2.411
  172    H    LEU  73           H        LEU  73  -8.672   1.258   3.872
  173    HA   LEU  73           HA       LEU  73  -8.908   0.216   6.649
  174   1HB   LEU  73          2HB       LEU  73 -10.709   2.089   5.076
  175   2HB   LEU  73          3HB       LEU  73 -10.609   1.928   6.829
  176    HG   LEU  73           HG       LEU  73  -8.170   2.722   5.240
  177   1HD1  LEU  73          3HD1      LEU  73 -10.116   4.250   4.681
  178   2HD1  LEU  73          1HD1      LEU  73 -10.191   4.662   6.395
  179   3HD1  LEU  73          2HD1      LEU  73  -8.747   5.049   5.458
  180   1HD2  LEU  73          1HD2      LEU  73  -8.157   2.026   7.713
  181   2HD2  LEU  73          2HD2      LEU  73  -7.431   3.589   7.339
  182   3HD2  LEU  73          3HD2      LEU  73  -9.052   3.512   8.027
  183    HA   PRO  74           HA       PRO  74 -12.087  -2.705   5.780
  184   1HB   PRO  74          2HB       PRO  74 -14.346  -1.088   6.792
  185   2HB   PRO  74          3HB       PRO  74 -13.708  -2.632   7.395
  186   1HG   PRO  74          2HG       PRO  74 -13.366  -0.316   8.713
  187   2HG   PRO  74          3HG       PRO  74 -12.172  -1.622   8.749
  188   1HD   PRO  74          2HD       PRO  74 -12.111   0.950   7.257
  189   2HD   PRO  74          3HD       PRO  74 -10.776   0.032   7.992
  190    H    ALA  75           H        ALA  75 -12.337   0.399   4.416
  191    HA   ALA  75           HA       ALA  75 -14.701  -0.176   2.752
  192   1HB   ALA  75          1HB       ALA  75 -12.818   2.090   3.280
  193   2HB   ALA  75          2HB       ALA  75 -13.755   2.117   1.787
  194   3HB   ALA  75          3HB       ALA  75 -14.580   2.063   3.344
  195    H    PHE  76           H        PHE  76 -11.207  -0.442   2.473
  196    HA   PHE  76           HA       PHE  76 -11.571  -1.145  -0.417
  197   1HB   PHE  76          2HB       PHE  76  -8.989  -0.086   0.711
  198   2HB   PHE  76          3HB       PHE  76  -9.608   0.023  -0.937
  199    HD1  PHE  76           HD1      PHE  76 -10.202   1.244   2.546
  200    HD2  PHE  76           HD2      PHE  76 -10.835   1.912  -1.651
  201    HE1  PHE  76           HE1      PHE  76 -11.158   3.477   3.045
  202    HE2  PHE  76           HE2      PHE  76 -11.790   4.145  -1.152
  203    HZ   PHE  76           HZ       PHE  76 -11.951   4.928   1.196
  204    H    GLU  77           H        GLU  77  -9.441  -2.443  -1.122
  205    HA   GLU  77           HA       GLU  77  -8.021  -4.056   0.743
  206   1HB   GLU  77          2HB       GLU  77 -10.108  -4.941   1.470
  207   2HB   GLU  77          3HB       GLU  77 -10.722  -5.053  -0.180
  208   1HG   GLU  77          2HG       GLU  77  -9.763  -7.077  -0.509
  209   2HG   GLU  77          3HG       GLU  77  -8.240  -6.562   0.218
  210    H    GLY  78           H        GLY  78  -6.308  -4.620  -0.546
  211   1HA   GLY  78          2HA       GLY  78  -6.188  -6.364  -2.628
  212   2HA   GLY  78          3HA       GLY  78  -6.671  -4.881  -3.453
  213    H    ARG  79           H        ARG  79  -4.310  -5.801  -4.273
  214    HA   ARG  79           HA       ARG  79  -1.914  -5.375  -2.970
  215   1HB   ARG  79          2HB       ARG  79  -2.864  -4.694  -5.758
  216   2HB   ARG  79          3HB       ARG  79  -1.173  -4.504  -5.292
  217   1HG   ARG  79          2HG       ARG  79  -1.037  -6.865  -4.681
  218   2HG   ARG  79          3HG       ARG  79  -2.754  -7.079  -5.026
  219   1HD   ARG  79          2HD       ARG  79  -0.850  -6.052  -7.143
  220   2HD   ARG  79          3HD       ARG  79  -1.115  -7.789  -6.890
  221    HE   ARG  79           HE       ARG  79  -3.656  -7.047  -7.043
  222   1HH1  ARG  79          1HH2      ARG  79  -4.064  -4.659  -8.106
  223   2HH1  ARG  79          2HH2      ARG  79  -3.636  -4.697  -9.785
  224   1HH2  ARG  79          1HH1      ARG  79  -1.762  -7.601  -9.513
  225   2HH2  ARG  79          2HH1      ARG  79  -2.333  -6.363 -10.580
  226    H    ASN  80           H        ASN  80  -3.660  -2.791  -4.750
  227    HA   ASN  80           HA       ASN  80  -2.211  -0.775  -3.067
  228   1HB   ASN  80          2HB       ASN  80  -3.545  -0.670  -5.792
  229   2HB   ASN  80          3HB       ASN  80  -2.862   0.740  -4.982
  230   1HD2  ASN  80          1HD2      ASN  80   0.537  -0.298  -5.482
  231   2HD2  ASN  80          2HD2      ASN  80  -0.473   0.643  -4.482
  232    H    CYS  81           H        CYS  81  -4.953  -2.411  -2.852
  233    HA   CYS  81           HA       CYS  81  -7.015  -1.979  -1.807
  234   1HB   CYS  81          2HB       CYS  81  -6.156  -0.836  -0.040
  235   2HB   CYS  81          3HB       CYS  81  -5.107   0.139  -1.049
  236    H    GLU  82           H        GLU  82  -6.076  -0.732  -4.643
  237    HA   GLU  82           HA       GLU  82  -7.785   1.441  -5.256
  238   1HB   GLU  82          2HB       GLU  82  -6.121   0.819  -6.818
  239   2HB   GLU  82          3HB       GLU  82  -6.599  -0.880  -6.779
  240   1HG   GLU  82          2HG       GLU  82  -8.771  -0.242  -7.845
  241   2HG   GLU  82          3HG       GLU  82  -8.172   1.411  -7.993
  242    H    THR  83           H        THR  83  -8.550  -1.844  -4.516
  243    HA   THR  83           HA       THR  83 -11.089  -1.942  -5.972
  244    HB   THR  83           HB       THR  83  -9.691  -3.606  -3.867
  245    HG1  THR  83           HG1      THR  83 -10.234  -3.777  -6.623
  246   1HG2  THR  83          1HG2      THR  83 -12.515  -3.656  -4.742
  247   2HG2  THR  83          2HG2      THR  83 -11.693  -5.215  -4.770
  248   3HG2  THR  83          3HG2      THR  83 -11.780  -4.290  -3.271
  249    H    HIS  84           H        HIS  84 -11.826   0.213  -4.984
  250    HA   HIS  84           HA       HIS  84 -12.405   0.534  -2.212
  251   1HB   HIS  84          2HB       HIS  84 -12.420   2.372  -3.787
  252   2HB   HIS  84          3HB       HIS  84 -13.684   1.600  -4.746
  253    HD1  HIS  84           HD1      HIS  84 -15.450   3.434  -4.387
  254    HD2  HIS  84           HD2      HIS  84 -13.989   1.843  -0.822
  255    HE1  HIS  84           HE1      HIS  84 -16.962   4.296  -2.547
  256    H    LYS  85           H        LYS  85 -13.360  -1.418  -1.394
  257    HA   LYS  85           HA       LYS  85 -15.382  -3.016  -2.373
  258   1HB   LYS  85          2HB       LYS  85 -15.048  -1.859   0.416
  259   2HB   LYS  85          3HB       LYS  85 -16.019  -3.285   0.036
  260   1HG   LYS  85          2HG       LYS  85 -14.167  -4.595  -0.432
  261   2HG   LYS  85          3HG       LYS  85 -13.176  -3.213  -0.902
  262   1HD   LYS  85          2HD       LYS  85 -12.242  -3.399   1.153
  263   2HD   LYS  85          3HD       LYS  85 -13.736  -2.676   1.750
  264   1HE   LYS  85          2HE       LYS  85 -14.137  -5.508   1.303
  265   2HE   LYS  85          3HE       LYS  85 -12.748  -5.246   2.376
  266   1HZ   LYS  85          1HZ       LYS  85 -15.054  -3.521   2.793
  267   2HZ   LYS  85          2HZ       LYS  85 -15.260  -5.146   3.233
  268   3HZ   LYS  85          3HZ       LYS  85 -14.011  -4.229   3.930
   
  No H/Q in entry =         268
  Start of MODEL   11
    1   1H    SER  45          2H        SER  45  13.085   2.947 -10.679
    2   2H    SER  45          1H        SER  45  12.337   2.700 -12.185
    3   3H    SER  45          3H        SER  45  13.254   4.103 -11.908
    4    HA   SER  45           HA       SER  45  11.070   4.862 -11.695
    5   1HB   SER  45          2HB       SER  45  10.529   2.241 -11.582
    6   2HB   SER  45          3HB       SER  45  10.343   2.609  -9.869
    7    HG   SER  45           HG       SER  45   8.434   2.858 -11.301
    8    H    ASP  46           H        ASP  46  12.192   6.476 -10.442
    9    HA   ASP  46           HA       ASP  46  13.308   6.368  -7.919
   10   1HB   ASP  46          2HB       ASP  46  11.348   8.467  -8.897
   11   2HB   ASP  46          3HB       ASP  46  12.668   8.713  -7.754
   12    H    GLY  47           H        GLY  47  12.566   5.803  -5.904
   13   1HA   GLY  47          2HA       GLY  47  10.794   6.111  -4.177
   14   2HA   GLY  47          3HA       GLY  47   9.608   5.828  -5.454
   15    H    ASP  48           H        ASP  48  12.034   4.290  -3.414
   16    HA   ASP  48           HA       ASP  48  12.156   1.683  -4.305
   17   1HB   ASP  48          2HB       ASP  48  12.119   3.077  -1.693
   18   2HB   ASP  48          3HB       ASP  48  11.821   1.340  -1.615
   19    H    GLN  49           H        GLN  49  10.035   1.867  -1.530
   20    HA   GLN  49           HA       GLN  49   7.783   0.777  -3.173
   21   1HB   GLN  49          2HB       GLN  49   8.449  -0.253  -0.439
   22   2HB   GLN  49          3HB       GLN  49   7.563  -1.056  -1.726
   23   1HG   GLN  49          2HG       GLN  49  10.541  -0.485  -1.667
   24   2HG   GLN  49          3HG       GLN  49   9.771  -2.066  -1.534
   25   1HE2  GLN  49          1HE2      GLN  49   8.511  -1.214  -5.099
   26   2HE2  GLN  49          2HE2      GLN  49   7.698  -1.021  -3.618
   27    H    CYS  50           H        CYS  50   8.363   1.506   0.284
   28    HA   CYS  50           HA       CYS  50   5.709   2.712   0.550
   29   1HB   CYS  50          2HB       CYS  50   7.996   1.880   2.215
   30   2HB   CYS  50          3HB       CYS  50   7.140   3.294   2.832
   31    H    ALA  51           H        ALA  51   8.608   3.849  -0.689
   32    HA   ALA  51           HA       ALA  51   8.926   6.437   0.431
   33   1HB   ALA  51          1HB       ALA  51   9.472   5.113  -2.212
   34   2HB   ALA  51          2HB       ALA  51   9.781   6.840  -2.030
   35   3HB   ALA  51          3HB       ALA  51  10.620   5.680  -0.999
   36    H    SER  52           H        SER  52   6.908   5.369  -2.323
   37    HA   SER  52           HA       SER  52   5.688   8.071  -2.503
   38   1HB   SER  52          2HB       SER  52   6.479   6.725  -4.486
   39   2HB   SER  52          3HB       SER  52   5.217   5.551  -4.126
   40    HG   SER  52           HG       SER  52   4.491   8.239  -4.283
   41    H    SER  53           H        SER  53   5.158   5.231  -0.789
   42    HA   SER  53           HA       SER  53   3.318   4.543   0.533
   43   1HB   SER  53          2HB       SER  53   3.229   7.231   0.441
   44   2HB   SER  53          3HB       SER  53   1.727   6.885  -0.411
   45    HG   SER  53           HG       SER  53   2.457   5.734   2.079
   46    HA   PRO  54           HA       PRO  54   1.529   2.893  -3.405
   47   1HB   PRO  54          2HB       PRO  54   1.250   0.359  -2.239
   48   2HB   PRO  54          3HB       PRO  54   2.607   0.880  -3.258
   49   1HG   PRO  54          2HG       PRO  54   2.427   0.668  -0.310
   50   2HG   PRO  54          3HG       PRO  54   3.817   0.434  -1.380
   51   1HD   PRO  54          2HD       PRO  54   3.498   2.645   0.151
   52   2HD   PRO  54          3HD       PRO  54   4.333   2.670  -1.417
   53    H    CYS  55           H        CYS  55   0.505   1.574  -0.226
   54    HA   CYS  55           HA       CYS  55  -2.184   1.145  -0.647
   55   1HB   CYS  55          2HB       CYS  55  -0.497   1.228   1.478
   56   2HB   CYS  55          3HB       CYS  55  -1.485   2.653   1.817
   57    H    GLN  56           H        GLN  56  -4.114   2.514  -0.252
   58    HA   GLN  56           HA       GLN  56  -3.674   5.448  -0.477
   59   1HB   GLN  56          2HB       GLN  56  -5.309   3.715  -2.354
   60   2HB   GLN  56          3HB       GLN  56  -5.251   5.478  -2.404
   61   1HG   GLN  56          2HG       GLN  56  -2.846   5.418  -2.826
   62   2HG   GLN  56          3HG       GLN  56  -2.852   3.658  -2.705
   63   1HE2  GLN  56          1HE2      GLN  56  -5.003   5.100  -5.900
   64   2HE2  GLN  56          2HE2      GLN  56  -5.241   5.779  -4.354
   65    H    ASN  57           H        ASN  57  -6.029   6.484  -0.555
   66    HA   ASN  57           HA       ASN  57  -7.952   6.934   0.749
   67   1HB   ASN  57          2HB       ASN  57  -8.193   3.918   0.540
   68   2HB   ASN  57          3HB       ASN  57  -9.511   5.078   0.707
   69   1HD2  ASN  57          1HD2      ASN  57  -7.994   4.300  -2.965
   70   2HD2  ASN  57          2HD2      ASN  57  -7.454   3.472  -1.575
   71    H    GLY  58           H        GLY  58  -5.995   7.153   2.486
   72   1HA   GLY  58          2HA       GLY  58  -5.443   6.951   4.756
   73   2HA   GLY  58          3HA       GLY  58  -7.044   6.243   4.981
   74    H    GLY  59           H        GLY  59  -5.062   4.656   2.662
   75   1HA   GLY  59          2HA       GLY  59  -4.898   2.305   4.430
   76   2HA   GLY  59          3HA       GLY  59  -4.451   2.352   2.718
   77    H    SER  60           H        SER  60  -2.827   1.238   4.874
   78    HA   SER  60           HA       SER  60  -0.572   3.198   5.025
   79   1HB   SER  60          2HB       SER  60  -1.536   2.152   7.096
   80   2HB   SER  60          3HB       SER  60  -1.050   0.575   6.479
   81    HG   SER  60           HG       SER  60   0.796   1.019   7.372
   82    H    CYS  61           H        CYS  61   1.637   2.268   4.636
   83    HA   CYS  61           HA       CYS  61   1.536   0.058   2.610
   84   1HB   CYS  61          2HB       CYS  61   3.164   1.256   1.368
   85   2HB   CYS  61          3HB       CYS  61   2.059   2.503   1.938
   86    H    LYS  62           H        LYS  62   2.804  -1.706   3.056
   87    HA   LYS  62           HA       LYS  62   4.511  -1.611   5.492
   88   1HB   LYS  62          2HB       LYS  62   2.716  -3.345   5.081
   89   2HB   LYS  62          3HB       LYS  62   3.695  -3.950   3.745
   90   1HG   LYS  62          2HG       LYS  62   5.612  -4.114   5.465
   91   2HG   LYS  62          3HG       LYS  62   4.354  -3.942   6.689
   92   1HD   LYS  62          2HD       LYS  62   3.357  -5.855   4.895
   93   2HD   LYS  62          3HD       LYS  62   5.059  -6.270   5.106
   94   1HE   LYS  62          2HE       LYS  62   4.180  -5.632   7.692
   95   2HE   LYS  62          3HE       LYS  62   2.865  -6.594   6.988
   96   1HZ   LYS  62          3HZ       LYS  62   4.834  -7.994   6.063
   97   2HZ   LYS  62          1HZ       LYS  62   5.692  -7.312   7.362
   98   3HZ   LYS  62          2HZ       LYS  62   4.303  -8.239   7.658
   99    H    ASP  63           H        ASP  63   6.731  -1.955   5.396
  100    HA   ASP  63           HA       ASP  63   7.929  -2.150   2.653
  101   1HB   ASP  63          2HB       ASP  63   8.425  -0.041   3.644
  102   2HB   ASP  63          3HB       ASP  63   8.734  -0.770   5.220
  103    H    GLN  64           H        GLN  64   8.494  -4.299   2.411
  104    HA   GLN  64           HA       GLN  64   9.809  -5.676   4.719
  105   1HB   GLN  64          2HB       GLN  64   9.259  -7.437   2.518
  106   2HB   GLN  64          3HB       GLN  64   8.520  -7.431   4.115
  107   1HG   GLN  64          2HG       GLN  64   6.899  -5.710   3.332
  108   2HG   GLN  64          3HG       GLN  64   7.614  -5.800   1.722
  109   1HE2  GLN  64          1HE2      GLN  64   4.682  -8.153   1.880
  110   2HE2  GLN  64          2HE2      GLN  64   4.870  -6.477   2.142
  111    H    LEU  65           H        LEU  65  11.516  -7.358   3.853
  112    HA   LEU  65           HA       LEU  65  13.540  -5.824   2.392
  113   1HB   LEU  65          2HB       LEU  65  13.767  -7.402   4.440
  114   2HB   LEU  65          3HB       LEU  65  13.692  -8.708   3.256
  115    HG   LEU  65           HG       LEU  65  15.531  -6.622   2.406
  116   1HD1  LEU  65          3HD1      LEU  65  15.800  -6.297   4.845
  117   2HD1  LEU  65          1HD1      LEU  65  16.113  -8.021   5.036
  118   3HD1  LEU  65          2HD1      LEU  65  17.245  -7.014   4.133
  119   1HD2  LEU  65          1HD2      LEU  65  15.203  -9.213   1.859
  120   2HD2  LEU  65          2HD2      LEU  65  16.790  -8.452   1.749
  121   3HD2  LEU  65          3HD2      LEU  65  16.360  -9.393   3.177
  122    H    GLN  66           H        GLN  66  11.126  -8.106   1.594
  123    HA   GLN  66           HA       GLN  66  12.519  -8.927  -0.916
  124   1HB   GLN  66          2HB       GLN  66  10.582 -10.550  -0.989
  125   2HB   GLN  66          3HB       GLN  66  11.589 -10.702   0.451
  126   1HG   GLN  66          2HG       GLN  66   9.471  -8.735   0.824
  127   2HG   GLN  66          3HG       GLN  66   8.822 -10.323   0.411
  128   1HE2  GLN  66          1HE2      GLN  66  10.691 -11.778   3.314
  129   2HE2  GLN  66          2HE2      GLN  66  10.734 -12.013   1.633
  130    H    SER  67           H        SER  67   9.881  -6.984   0.297
  131    HA   SER  67           HA       SER  67   9.521  -5.578  -2.184
  132   1HB   SER  67          2HB       SER  67   7.518  -6.607  -2.991
  133   2HB   SER  67          3HB       SER  67   8.595  -7.945  -2.602
  134    HG   SER  67           HG       SER  67   6.434  -8.161  -1.758
  135    H    TYR  68           H        TYR  68   6.458  -5.605  -1.436
  136    HA   TYR  68           HA       TYR  68   6.435  -4.333   1.211
  137   1HB   TYR  68          2HB       TYR  68   5.708  -2.134   0.245
  138   2HB   TYR  68          3HB       TYR  68   7.364  -2.567  -0.200
  139    HD1  TYR  68           HD1      TYR  68   7.906  -3.323  -2.471
  140    HD2  TYR  68           HD2      TYR  68   3.909  -2.171  -1.396
  141    HE1  TYR  68           HE1      TYR  68   7.290  -3.217  -4.872
  142    HE2  TYR  68           HE2      TYR  68   3.295  -2.061  -3.796
  143    HH   TYR  68           HH       TYR  68   4.148  -1.997  -5.910
  144    H    ILE  69           H        ILE  69   4.248  -4.055   1.964
  145    HA   ILE  69           HA       ILE  69   2.084  -4.878   0.079
  146    HB   ILE  69           HB       ILE  69   3.066  -6.211   2.579
  147   1HG1  ILE  69          2HG1      ILE  69   2.075  -7.072  -0.149
  148   2HG1  ILE  69          3HG1      ILE  69   3.719  -7.186   0.481
  149   1HG2  ILE  69          3HG2      ILE  69   0.671  -5.605   2.995
  150   2HG2  ILE  69          1HG2      ILE  69   0.233  -6.460   1.516
  151   3HG2  ILE  69          2HG2      ILE  69   0.927  -7.345   2.875
  152   1HD1  ILE  69          3HD1      ILE  69   2.761  -8.684   2.315
  153   2HD1  ILE  69          1HD1      ILE  69   1.288  -8.754   1.349
  154   3HD1  ILE  69          2HD1      ILE  69   2.803  -9.377   0.693
  155    H    CYS  70           H        CYS  70   0.493  -3.374   0.235
  156    HA   CYS  70           HA       CYS  70   0.360  -1.497   2.450
  157   1HB   CYS  70          2HB       CYS  70  -0.313  -0.404   0.593
  158   2HB   CYS  70          3HB       CYS  70  -0.630  -1.907  -0.236
  159    H    PHE  71           H        PHE  71  -1.895  -1.111   3.427
  160    HA   PHE  71           HA       PHE  71  -3.519  -3.555   3.827
  161   1HB   PHE  71          2HB       PHE  71  -1.909  -2.100   5.941
  162   2HB   PHE  71          3HB       PHE  71  -3.239  -3.195   6.333
  163    HD1  PHE  71           HD1      PHE  71  -3.145  -5.564   5.189
  164    HD2  PHE  71           HD2      PHE  71   0.246  -2.976   5.691
  165    HE1  PHE  71           HE1      PHE  71  -1.625  -7.507   4.938
  166    HE2  PHE  71           HE2      PHE  71   1.766  -4.919   5.438
  167    HZ   PHE  71           HZ       PHE  71   0.831  -7.185   5.062
  168    H    CYS  72           H        CYS  72  -4.935  -1.965   2.634
  169    HA   CYS  72           HA       CYS  72  -5.771   0.515   3.846
  170   1HB   CYS  72          2HB       CYS  72  -6.063  -0.860   1.453
  171   2HB   CYS  72          3HB       CYS  72  -7.701  -0.852   2.115
  172    H    LEU  73           H        LEU  73  -8.636   0.106   3.597
  173    HA   LEU  73           HA       LEU  73  -9.136  -1.515   6.071
  174   1HB   LEU  73          2HB       LEU  73 -10.715   0.861   5.051
  175   2HB   LEU  73          3HB       LEU  73 -10.703   0.190   6.682
  176    HG   LEU  73           HG       LEU  73  -8.260   1.424   5.370
  177   1HD1  LEU  73          3HD1      LEU  73 -10.144   3.063   5.711
  178   2HD1  LEU  73          1HD1      LEU  73 -10.112   2.665   7.429
  179   3HD1  LEU  73          2HD1      LEU  73  -8.709   3.420   6.672
  180   1HD2  LEU  73          1HD2      LEU  73  -8.089  -0.281   7.307
  181   2HD2  LEU  73          2HD2      LEU  73  -7.267   1.264   7.522
  182   3HD2  LEU  73          3HD2      LEU  73  -8.819   0.974   8.308
  183    HA   PRO  74           HA       PRO  74 -12.370  -3.747   4.104
  184   1HB   PRO  74          2HB       PRO  74 -14.602  -2.407   5.498
  185   2HB   PRO  74          3HB       PRO  74 -14.069  -4.098   5.598
  186   1HG   PRO  74          2HG       PRO  74 -13.708  -2.336   7.603
  187   2HG   PRO  74          3HG       PRO  74 -12.592  -3.673   7.282
  188   1HD   PRO  74          2HD       PRO  74 -12.286  -0.773   6.693
  189   2HD   PRO  74          3HD       PRO  74 -11.058  -1.975   7.156
  190    H    ALA  75           H        ALA  75 -12.357  -0.358   3.889
  191    HA   ALA  75           HA       ALA  75 -14.596  -0.175   1.964
  192   1HB   ALA  75          1HB       ALA  75 -12.692   1.691   3.367
  193   2HB   ALA  75          2HB       ALA  75 -13.661   2.270   2.010
  194   3HB   ALA  75          3HB       ALA  75 -14.453   1.641   3.455
  195    H    PHE  76           H        PHE  76 -11.562  -1.343   1.650
  196    HA   PHE  76           HA       PHE  76 -11.394  -0.490  -1.185
  197   1HB   PHE  76          2HB       PHE  76  -9.063  -0.229   0.729
  198   2HB   PHE  76          3HB       PHE  76  -9.165   0.374  -0.928
  199    HD1  PHE  76           HD1      PHE  76 -10.618   2.298  -1.483
  200    HD2  PHE  76           HD2      PHE  76 -10.116   0.944   2.563
  201    HE1  PHE  76           HE1      PHE  76 -11.581   4.426  -0.651
  202    HE2  PHE  76           HE2      PHE  76 -11.078   3.073   3.394
  203    HZ   PHE  76           HZ       PHE  76 -11.811   4.814   1.789
  204    H    GLU  77           H        GLU  77  -9.307  -1.680  -2.147
  205    HA   GLU  77           HA       GLU  77  -8.383  -4.108  -0.917
  206   1HB   GLU  77          2HB       GLU  77 -10.994  -4.293  -1.458
  207   2HB   GLU  77          3HB       GLU  77 -10.383  -4.704  -3.062
  208   1HG   GLU  77          2HG       GLU  77  -9.508  -6.059  -0.493
  209   2HG   GLU  77          3HG       GLU  77 -10.705  -6.713  -1.612
  210    H    GLY  78           H        GLY  78  -6.656  -4.870  -2.137
  211   1HA   GLY  78          2HA       GLY  78  -6.034  -5.383  -4.609
  212   2HA   GLY  78          3HA       GLY  78  -6.301  -3.655  -4.841
  213    H    ARG  79           H        ARG  79  -3.823  -4.553  -5.476
  214    HA   ARG  79           HA       ARG  79  -1.782  -4.842  -3.637
  215   1HB   ARG  79          2HB       ARG  79  -1.858  -2.983  -6.038
  216   2HB   ARG  79          3HB       ARG  79  -0.399  -3.657  -5.310
  217   1HG   ARG  79          2HG       ARG  79  -1.478  -5.964  -5.725
  218   2HG   ARG  79          3HG       ARG  79  -2.590  -5.108  -6.795
  219   1HD   ARG  79          2HD       ARG  79   0.441  -5.181  -7.033
  220   2HD   ARG  79          3HD       ARG  79  -0.730  -5.912  -8.147
  221    HE   ARG  79           HE       ARG  79  -0.474  -2.962  -7.699
  222   1HH1  ARG  79          1HH2      ARG  79  -2.899  -2.880  -8.860
  223   2HH1  ARG  79          2HH2      ARG  79  -2.707  -3.220 -10.548
  224   1HH2  ARG  79          1HH1      ARG  79   0.438  -4.633 -10.176
  225   2HH2  ARG  79          2HH1      ARG  79  -0.817  -4.213 -11.292
  226    H    ASN  80           H        ASN  80  -3.328  -1.754  -4.564
  227    HA   ASN  80           HA       ASN  80  -2.063  -0.500  -2.144
  228   1HB   ASN  80          2HB       ASN  80  -2.977   0.747  -4.760
  229   2HB   ASN  80          3HB       ASN  80  -2.129   1.577  -3.456
  230   1HD2  ASN  80          1HD2      ASN  80   0.742  -0.858  -4.216
  231   2HD2  ASN  80          2HD2      ASN  80  -0.394  -0.855  -2.944
  232    H    CYS  81           H        CYS  81  -4.909  -1.754  -3.222
  233    HA   CYS  81           HA       CYS  81  -7.110  -1.536  -2.412
  234   1HB   CYS  81          2HB       CYS  81  -6.955  -1.051  -0.212
  235   2HB   CYS  81          3HB       CYS  81  -5.326  -0.455  -0.486
  236    H    GLU  82           H        GLU  82  -5.530   0.552  -4.311
  237    HA   GLU  82           HA       GLU  82  -6.957   2.992  -4.335
  238   1HB   GLU  82          2HB       GLU  82  -5.043   2.753  -5.713
  239   2HB   GLU  82          3HB       GLU  82  -5.644   1.253  -6.429
  240   1HG   GLU  82          2HG       GLU  82  -7.461   2.524  -7.534
  241   2HG   GLU  82          3HG       GLU  82  -6.820   4.018  -6.851
  242    H    THR  83           H        THR  83  -8.026  -0.206  -5.101
  243    HA   THR  83           HA       THR  83 -10.242   0.590  -6.843
  244    HB   THR  83           HB       THR  83  -9.308  -1.920  -5.446
  245    HG1  THR  83           HG1      THR  83  -8.273  -1.925  -7.264
  246   1HG2  THR  83          1HG2      THR  83 -11.998  -1.307  -6.297
  247   2HG2  THR  83          2HG2      THR  83 -11.327  -2.598  -7.294
  248   3HG2  THR  83          3HG2      THR  83 -11.384  -2.776  -5.540
  249    H    HIS  84           H        HIS  84 -11.015   2.256  -5.147
  250    HA   HIS  84           HA       HIS  84 -12.013   1.785  -2.615
  251   1HB   HIS  84          2HB       HIS  84 -12.083   3.909  -3.924
  252   2HB   HIS  84          3HB       HIS  84 -13.414   3.250  -4.875
  253    HD1  HIS  84           HD1      HIS  84 -13.863   5.776  -3.157
  254    HD2  HIS  84           HD2      HIS  84 -14.626   1.905  -1.813
  255    HE1  HIS  84           HE1      HIS  84 -15.540   5.991  -1.271
  256    H    LYS  85           H        LYS  85 -13.015  -0.157  -2.087
  257    HA   LYS  85           HA       LYS  85 -14.573  -1.877  -3.581
  258   1HB   LYS  85          2HB       LYS  85 -14.837  -0.926  -0.716
  259   2HB   LYS  85          3HB       LYS  85 -15.743  -2.305  -1.347
  260   1HG   LYS  85          2HG       LYS  85 -13.659  -3.442  -1.939
  261   2HG   LYS  85          3HG       LYS  85 -12.721  -2.047  -1.406
  262   1HD   LYS  85          2HD       LYS  85 -12.897  -2.622   0.778
  263   2HD   LYS  85          3HD       LYS  85 -14.608  -3.021   0.621
  264   1HE   LYS  85          2HE       LYS  85 -12.576  -4.861  -0.615
  265   2HE   LYS  85          3HE       LYS  85 -12.882  -4.951   1.130
  266   1HZ   LYS  85          3HZ       LYS  85 -15.296  -4.984   0.582
  267   2HZ   LYS  85          1HZ       LYS  85 -14.883  -5.153  -1.055
  268   3HZ   LYS  85          2HZ       LYS  85 -14.453  -6.363   0.058
   
  No H/Q in entry =         268
  Start of MODEL   12
    1   1H    SER  45          1H        SER  45  15.651   4.521  -7.407
    2   2H    SER  45          3H        SER  45  14.469   3.386  -7.854
    3   3H    SER  45          2H        SER  45  14.485   4.928  -8.567
    4    HA   SER  45           HA       SER  45  13.603   5.965  -6.725
    5   1HB   SER  45          2HB       SER  45  12.601   3.102  -6.625
    6   2HB   SER  45          3HB       SER  45  11.712   4.532  -6.109
    7    HG   SER  45           HG       SER  45  11.311   3.683  -8.314
    8    H    ASP  46           H        ASP  46  12.577   4.197  -4.466
    9    HA   ASP  46           HA       ASP  46  15.058   4.329  -2.805
   10   1HB   ASP  46          2HB       ASP  46  12.108   4.234  -2.089
   11   2HB   ASP  46          3HB       ASP  46  13.431   4.473  -0.947
   12    H    GLY  47           H        GLY  47  14.522   2.641  -0.774
   13   1HA   GLY  47          2HA       GLY  47  14.324  -0.015  -2.123
   14   2HA   GLY  47          3HA       GLY  47  15.208   0.286  -0.627
   15    H    ASP  48           H        ASP  48  13.052   1.950   0.506
   16    HA   ASP  48           HA       ASP  48  11.525  -0.139   1.794
   17   1HB   ASP  48          2HB       ASP  48  11.105   2.867   1.687
   18   2HB   ASP  48          3HB       ASP  48  10.483   1.774   2.924
   19    H    GLN  49           H        GLN  49  11.080   1.710  -1.090
   20    HA   GLN  49           HA       GLN  49   9.446   1.589  -2.757
   21   1HB   GLN  49          2HB       GLN  49   9.043  -0.738  -1.045
   22   2HB   GLN  49          3HB       GLN  49   7.567  -0.224  -1.866
   23   1HG   GLN  49          2HG       GLN  49   8.369  -0.848  -3.894
   24   2HG   GLN  49          3HG       GLN  49   9.945  -0.119  -3.572
   25   1HE2  GLN  49          1HE2      GLN  49  10.911  -3.216  -1.683
   26   2HE2  GLN  49          2HE2      GLN  49  10.707  -1.578  -1.256
   27    H    CYS  50           H        CYS  50   8.350   2.028   0.584
   28    HA   CYS  50           HA       CYS  50   5.759   3.122  -0.214
   29   1HB   CYS  50          2HB       CYS  50   6.060   1.926   1.893
   30   2HB   CYS  50          3HB       CYS  50   7.327   3.050   2.384
   31    H    ALA  51           H        ALA  51   8.734   4.307  -0.720
   32    HA   ALA  51           HA       ALA  51   8.782   6.910   0.447
   33   1HB   ALA  51          3HB       ALA  51  10.581   5.565  -0.803
   34   2HB   ALA  51          1HB       ALA  51   9.820   6.135  -2.288
   35   3HB   ALA  51          2HB       ALA  51  10.516   7.292  -1.154
   36    H    SER  52           H        SER  52   6.882   5.590  -2.151
   37    HA   SER  52           HA       SER  52   6.081   8.329  -3.048
   38   1HB   SER  52          2HB       SER  52   6.799   6.024  -4.398
   39   2HB   SER  52          3HB       SER  52   5.040   5.966  -4.462
   40    HG   SER  52           HG       SER  52   5.470   8.387  -5.001
   41    H    SER  53           H        SER  53   5.090   5.876  -0.965
   42    HA   SER  53           HA       SER  53   3.071   5.601   0.241
   43   1HB   SER  53          2HB       SER  53   1.989   7.936  -1.324
   44   2HB   SER  53          3HB       SER  53   1.694   7.506   0.359
   45    HG   SER  53           HG       SER  53   3.567   8.375   0.922
   46    HA   PRO  54           HA       PRO  54   1.543   3.635  -3.724
   47   1HB   PRO  54          2HB       PRO  54   1.564   1.229  -2.012
   48   2HB   PRO  54          3HB       PRO  54   2.285   1.479  -3.609
   49   1HG   PRO  54          2HG       PRO  54   3.742   1.278  -1.351
   50   2HG   PRO  54          3HG       PRO  54   4.253   2.206  -2.768
   51   1HD   PRO  54          2HD       PRO  54   3.209   3.158  -0.170
   52   2HD   PRO  54          3HD       PRO  54   4.343   3.934  -1.294
   53    H    CYS  55           H        CYS  55   0.598   2.369  -0.497
   54    HA   CYS  55           HA       CYS  55  -2.126   1.903  -1.030
   55   1HB   CYS  55          2HB       CYS  55  -0.412   1.705   1.089
   56   2HB   CYS  55          3HB       CYS  55  -1.428   3.047   1.615
   57    H    GLN  56           H        GLN  56  -3.999   3.220  -0.807
   58    HA   GLN  56           HA       GLN  56  -3.573   6.144  -0.413
   59   1HB   GLN  56          2HB       GLN  56  -5.065   4.741  -2.652
   60   2HB   GLN  56          3HB       GLN  56  -5.062   6.486  -2.396
   61   1HG   GLN  56          2HG       GLN  56  -2.760   6.674  -2.884
   62   2HG   GLN  56          3HG       GLN  56  -2.488   4.944  -2.670
   63   1HE2  GLN  56          1HE2      GLN  56  -3.942   4.118  -5.900
   64   2HE2  GLN  56          2HE2      GLN  56  -3.873   3.536  -4.298
   65    H    ASN  57           H        ASN  57  -6.031   7.117  -0.565
   66    HA   ASN  57           HA       ASN  57  -8.078   7.283   0.601
   67   1HB   ASN  57          2HB       ASN  57  -7.973   4.265   0.306
   68   2HB   ASN  57          3HB       ASN  57  -9.420   5.262   0.458
   69   1HD2  ASN  57          1HD2      ASN  57  -8.155   4.535  -3.201
   70   2HD2  ASN  57          2HD2      ASN  57  -7.901   3.547  -1.834
   71    H    GLY  58           H        GLY  58  -5.698   7.163   2.221
   72   1HA   GLY  58          2HA       GLY  58  -5.278   7.074   4.540
   73   2HA   GLY  58          3HA       GLY  58  -6.901   6.421   4.763
   74    H    GLY  59           H        GLY  59  -4.867   4.820   2.460
   75   1HA   GLY  59          2HA       GLY  59  -4.821   2.445   4.221
   76   2HA   GLY  59          3HA       GLY  59  -4.385   2.472   2.508
   77    H    SER  60           H        SER  60  -2.912   1.530   5.027
   78    HA   SER  60           HA       SER  60  -0.584   3.321   5.184
   79   1HB   SER  60          2HB       SER  60  -1.819   1.552   6.859
   80   2HB   SER  60          3HB       SER  60  -0.481   0.568   6.273
   81    HG   SER  60           HG       SER  60   0.200   1.738   8.059
   82    H    CYS  61           H        CYS  61   1.644   2.034   5.024
   83    HA   CYS  61           HA       CYS  61   1.602   0.318   2.563
   84   1HB   CYS  61          2HB       CYS  61   3.472   1.622   1.722
   85   2HB   CYS  61          3HB       CYS  61   2.188   2.743   2.176
   86    H    LYS  62           H        LYS  62   2.940  -1.483   2.715
   87    HA   LYS  62           HA       LYS  62   4.640  -1.686   5.180
   88   1HB   LYS  62          2HB       LYS  62   2.597  -3.183   4.776
   89   2HB   LYS  62          3HB       LYS  62   3.531  -3.919   3.475
   90   1HG   LYS  62          2HG       LYS  62   4.621  -5.201   4.961
   91   2HG   LYS  62          3HG       LYS  62   5.202  -3.756   5.790
   92   1HD   LYS  62          2HD       LYS  62   2.858  -3.670   6.872
   93   2HD   LYS  62          3HD       LYS  62   2.692  -5.339   6.325
   94   1HE   LYS  62          2HE       LYS  62   5.253  -4.751   7.691
   95   2HE   LYS  62          3HE       LYS  62   3.811  -4.653   8.723
   96   1HZ   LYS  62          1HZ       LYS  62   3.937  -6.856   6.814
   97   2HZ   LYS  62          2HZ       LYS  62   4.972  -6.956   8.153
   98   3HZ   LYS  62          3HZ       LYS  62   3.294  -6.819   8.386
   99    H    ASP  63           H        ASP  63   6.797  -2.311   4.929
  100    HA   ASP  63           HA       ASP  63   7.804  -2.463   2.114
  101   1HB   ASP  63          2HB       ASP  63   8.621  -0.612   3.506
  102   2HB   ASP  63          3HB       ASP  63   9.130  -1.753   4.752
  103    H    GLN  64           H        GLN  64   7.908  -4.651   1.595
  104    HA   GLN  64           HA       GLN  64   9.074  -6.501   3.640
  105   1HB   GLN  64          2HB       GLN  64   7.971  -7.880   1.378
  106   2HB   GLN  64          3HB       GLN  64   7.393  -7.883   3.040
  107   1HG   GLN  64          2HG       GLN  64   6.254  -5.639   2.460
  108   2HG   GLN  64          3HG       GLN  64   6.570  -6.060   0.776
  109   1HE2  GLN  64          1HE2      GLN  64   3.946  -8.423   2.904
  110   2HE2  GLN  64          2HE2      GLN  64   5.179  -7.590   3.742
  111    H    LEU  65           H        LEU  65  10.302  -8.388   2.489
  112    HA   LEU  65           HA       LEU  65  12.631  -7.372   1.225
  113   1HB   LEU  65          2HB       LEU  65  11.343 -10.044   1.636
  114   2HB   LEU  65          3HB       LEU  65  12.781  -9.935   0.619
  115    HG   LEU  65           HG       LEU  65  13.455  -8.395   2.822
  116   1HD1  LEU  65          1HD1      LEU  65  11.628 -10.649   3.596
  117   2HD1  LEU  65          2HD1      LEU  65  12.981 -10.234   4.647
  118   3HD1  LEU  65          3HD1      LEU  65  11.748  -9.029   4.281
  119   1HD2  LEU  65          3HD2      LEU  65  13.978 -11.345   2.326
  120   2HD2  LEU  65          1HD2      LEU  65  14.894 -10.008   1.629
  121   3HD2  LEU  65          2HD2      LEU  65  14.941 -10.297   3.368
  122    H    GLN  66           H        GLN  66  10.575  -9.743  -0.345
  123    HA   GLN  66           HA       GLN  66  11.254  -9.450  -2.977
  124   1HB   GLN  66          2HB       GLN  66   8.855 -10.050  -3.451
  125   2HB   GLN  66          3HB       GLN  66   9.582 -11.022  -2.172
  126   1HG   GLN  66          2HG       GLN  66   8.562  -9.566  -0.469
  127   2HG   GLN  66          3HG       GLN  66   7.848  -8.572  -1.738
  128   1HE2  GLN  66          1HE2      GLN  66   5.955 -11.925  -0.586
  129   2HE2  GLN  66          2HE2      GLN  66   7.289 -11.292   0.251
  130    H    SER  67           H        SER  67   9.083  -7.265  -1.190
  131    HA   SER  67           HA       SER  67   9.751  -4.989  -2.817
  132   1HB   SER  67          2HB       SER  67   8.471  -6.441  -4.427
  133   2HB   SER  67          3HB       SER  67   7.069  -6.296  -3.371
  134    HG   SER  67           HG       SER  67   6.732  -4.576  -4.553
  135    H    TYR  68           H        TYR  68   6.434  -4.806  -2.376
  136    HA   TYR  68           HA       TYR  68   6.458  -4.223   0.511
  137   1HB   TYR  68          2HB       TYR  68   6.078  -1.851   0.225
  138   2HB   TYR  68          3HB       TYR  68   7.515  -2.275  -0.705
  139    HD1  TYR  68           HD1      TYR  68   7.454  -2.366  -3.156
  140    HD2  TYR  68           HD2      TYR  68   3.974  -1.293  -0.879
  141    HE1  TYR  68           HE1      TYR  68   6.369  -1.519  -5.216
  142    HE2  TYR  68           HE2      TYR  68   2.888  -0.445  -2.940
  143    HH   TYR  68           HH       TYR  68   3.009  -0.612  -5.283
  144    H    ILE  69           H        ILE  69   4.315  -4.082   1.333
  145    HA   ILE  69           HA       ILE  69   2.123  -4.427  -0.679
  146    HB   ILE  69           HB       ILE  69   2.862  -6.552   0.339
  147   1HG1  ILE  69          2HG1      ILE  69   0.233  -5.783   1.603
  148   2HG1  ILE  69          3HG1      ILE  69   0.397  -5.965  -0.146
  149   1HG2  ILE  69          3HG2      ILE  69   3.714  -5.537   2.452
  150   2HG2  ILE  69          1HG2      ILE  69   2.046  -5.267   2.959
  151   3HG2  ILE  69          2HG2      ILE  69   2.646  -6.909   2.740
  152   1HD1  ILE  69          1HD1      ILE  69   1.666  -8.172   1.205
  153   2HD1  ILE  69          2HD1      ILE  69  -0.008  -8.018   1.741
  154   3HD1  ILE  69          3HD1      ILE  69   0.355  -8.203   0.025
  155    H    CYS  70           H        CYS  70   0.579  -2.883  -0.389
  156    HA   CYS  70           HA       CYS  70   0.580  -1.148   1.935
  157   1HB   CYS  70          2HB       CYS  70  -0.122   0.119   0.213
  158   2HB   CYS  70          3HB       CYS  70  -0.349  -1.302  -0.763
  159    H    PHE  71           H        PHE  71  -1.671  -0.688   2.930
  160    HA   PHE  71           HA       PHE  71  -3.344  -3.120   3.284
  161   1HB   PHE  71          2HB       PHE  71  -1.602  -1.735   5.311
  162   2HB   PHE  71          3HB       PHE  71  -3.098  -2.512   5.844
  163    HD1  PHE  71           HD1      PHE  71  -3.480  -4.963   5.236
  164    HD2  PHE  71           HD2      PHE  71   0.328  -3.018   4.834
  165    HE1  PHE  71           HE1      PHE  71  -2.360  -7.174   5.167
  166    HE2  PHE  71           HE2      PHE  71   1.450  -5.229   4.765
  167    HZ   PHE  71           HZ       PHE  71   0.105  -7.307   4.931
  168    H    CYS  72           H        CYS  72  -5.138  -2.015   2.406
  169    HA   CYS  72           HA       CYS  72  -5.835   0.701   3.224
  170   1HB   CYS  72          2HB       CYS  72  -7.590  -1.329   1.838
  171   2HB   CYS  72          3HB       CYS  72  -7.595   0.423   1.645
  172    H    LEU  73           H        LEU  73  -8.643   0.388   3.457
  173    HA   LEU  73           HA       LEU  73  -8.847  -0.839   6.183
  174   1HB   LEU  73          2HB       LEU  73 -10.693   1.215   4.950
  175   2HB   LEU  73          3HB       LEU  73 -10.393   0.902   6.659
  176    HG   LEU  73           HG       LEU  73  -8.294   1.975   4.753
  177   1HD1  LEU  73          1HD1      LEU  73 -10.152   3.392   6.684
  178   2HD1  LEU  73          2HD1      LEU  73  -8.690   4.129   6.030
  179   3HD1  LEU  73          3HD1      LEU  73 -10.002   3.664   4.947
  180   1HD2  LEU  73          1HD2      LEU  73  -7.653   0.696   6.898
  181   2HD2  LEU  73          2HD2      LEU  73  -6.970   2.311   6.703
  182   3HD2  LEU  73          3HD2      LEU  73  -8.347   2.059   7.776
  183    HA   PRO  74           HA       PRO  74 -12.151  -3.508   5.062
  184   1HB   PRO  74          2HB       PRO  74 -14.289  -1.940   6.374
  185   2HB   PRO  74          3HB       PRO  74 -13.703  -3.574   6.747
  186   1HG   PRO  74          2HG       PRO  74 -13.195  -1.458   8.329
  187   2HG   PRO  74          3HG       PRO  74 -12.074  -2.815   8.152
  188   1HD   PRO  74          2HD       PRO  74 -11.922  -0.079   7.000
  189   2HD   PRO  74          3HD       PRO  74 -10.616  -1.156   7.545
  190    H    ALA  75           H        ALA  75 -12.364  -0.206   4.224
  191    HA   ALA  75           HA       ALA  75 -14.764  -0.435   2.544
  192   1HB   ALA  75          1HB       ALA  75 -12.793   1.617   3.407
  193   2HB   ALA  75          2HB       ALA  75 -13.576   1.901   1.853
  194   3HB   ALA  75          3HB       ALA  75 -14.551   1.722   3.312
  195    H    PHE  76           H        PHE  76 -11.241  -0.411   2.099
  196    HA   PHE  76           HA       PHE  76 -11.660  -0.926  -0.818
  197   1HB   PHE  76          2HB       PHE  76  -9.104  -0.061   0.550
  198   2HB   PHE  76          3HB       PHE  76  -9.546   0.122  -1.150
  199    HD1  PHE  76           HD1      PHE  76 -10.221   1.327   2.291
  200    HD2  PHE  76           HD2      PHE  76 -10.917   1.949  -1.901
  201    HE1  PHE  76           HE1      PHE  76 -11.189   3.556   2.784
  202    HE2  PHE  76           HE2      PHE  76 -11.886   4.178  -1.410
  203    HZ   PHE  76           HZ       PHE  76 -12.021   4.982   0.933
  204    H    GLU  77           H        GLU  77  -9.648  -2.290  -1.679
  205    HA   GLU  77           HA       GLU  77  -8.457  -4.214   0.132
  206   1HB   GLU  77          2HB       GLU  77  -9.847  -6.149  -0.724
  207   2HB   GLU  77          3HB       GLU  77 -10.742  -5.005   0.278
  208   1HG   GLU  77          2HG       GLU  77 -11.822  -4.035  -1.584
  209   2HG   GLU  77          3HG       GLU  77 -10.651  -4.703  -2.721
  210    H    GLY  78           H        GLY  78  -6.793  -3.192  -1.400
  211   1HA   GLY  78          2HA       GLY  78  -6.321  -5.055  -3.630
  212   2HA   GLY  78          3HA       GLY  78  -6.516  -3.363  -4.093
  213    H    ARG  79           H        ARG  79  -4.109  -4.414  -4.686
  214    HA   ARG  79           HA       ARG  79  -2.074  -4.448  -2.728
  215   1HB   ARG  79          2HB       ARG  79  -2.089  -3.532  -5.621
  216   2HB   ARG  79          3HB       ARG  79  -0.622  -3.871  -4.700
  217   1HG   ARG  79          2HG       ARG  79  -2.847  -5.896  -5.022
  218   2HG   ARG  79          3HG       ARG  79  -1.487  -5.792  -6.141
  219   1HD   ARG  79          2HD       ARG  79   0.097  -6.314  -4.414
  220   2HD   ARG  79          3HD       ARG  79  -1.123  -6.099  -3.143
  221    HE   ARG  79           HE       ARG  79  -1.696  -8.137  -5.217
  222   1HH1  ARG  79          1HH1      ARG  79  -2.980  -7.822  -2.442
  223   2HH1  ARG  79          2HH1      ARG  79  -2.274  -9.166  -1.608
  224   1HH2  ARG  79          1HH2      ARG  79   0.217  -9.664  -3.968
  225   2HH2  ARG  79          2HH2      ARG  79  -0.464 -10.208  -2.472
  226    H    ASN  80           H        ASN  80  -3.949  -1.792  -3.873
  227    HA   ASN  80           HA       ASN  80  -2.414   0.068  -2.153
  228   1HB   ASN  80          2HB       ASN  80  -2.549   0.084  -5.151
  229   2HB   ASN  80          3HB       ASN  80  -2.503   1.631  -4.302
  230   1HD2  ASN  80          1HD2      ASN  80   0.948  -0.204  -4.842
  231   2HD2  ASN  80          2HD2      ASN  80  -0.445  -0.394  -5.807
  232    H    CYS  81           H        CYS  81  -5.165  -1.130  -2.287
  233    HA   CYS  81           HA       CYS  81  -7.355  -0.363  -1.809
  234   1HB   CYS  81          2HB       CYS  81  -6.221   2.431  -2.064
  235   2HB   CYS  81          3HB       CYS  81  -7.552   1.883  -1.047
  236    H    GLU  82           H        GLU  82  -5.777  -0.102  -4.633
  237    HA   GLU  82           HA       GLU  82  -7.363   1.729  -6.186
  238   1HB   GLU  82          2HB       GLU  82  -5.336   1.137  -7.156
  239   2HB   GLU  82          3HB       GLU  82  -5.454  -0.541  -6.623
  240   1HG   GLU  82          2HG       GLU  82  -7.286  -0.890  -8.295
  241   2HG   GLU  82          3HG       GLU  82  -7.021   0.755  -8.876
  242    H    THR  83           H        THR  83  -8.181  -1.209  -4.714
  243    HA   THR  83           HA       THR  83 -10.316  -1.785  -6.734
  244    HB   THR  83           HB       THR  83  -8.990  -3.415  -4.547
  245    HG1  THR  83           HG1      THR  83  -7.987  -3.003  -6.680
  246   1HG2  THR  83          3HG2      THR  83 -11.612  -3.682  -5.553
  247   2HG2  THR  83          1HG2      THR  83 -10.657  -4.933  -6.349
  248   3HG2  THR  83          2HG2      THR  83 -10.716  -4.854  -4.588
  249    H    HIS  84           H        HIS  84 -11.077   0.359  -5.358
  250    HA   HIS  84           HA       HIS  84 -12.094   0.291  -2.779
  251   1HB   HIS  84          2HB       HIS  84 -12.280   2.258  -4.113
  252   2HB   HIS  84          3HB       HIS  84 -13.175   1.408  -5.373
  253    HD1  HIS  84           HD1      HIS  84 -15.535   2.200  -5.329
  254    HD2  HIS  84           HD2      HIS  84 -13.998   1.765  -1.478
  255    HE1  HIS  84           HE1      HIS  84 -17.430   2.733  -3.737
  256    H    LYS  85           H        LYS  85 -13.373  -1.215  -1.788
  257    HA   LYS  85           HA       LYS  85 -14.738  -3.349  -3.024
  258   1HB   LYS  85          2HB       LYS  85 -15.301  -1.858  -0.438
  259   2HB   LYS  85          3HB       LYS  85 -15.910  -3.471  -0.822
  260   1HG   LYS  85          2HG       LYS  85 -13.663  -4.361  -0.941
  261   2HG   LYS  85          3HG       LYS  85 -12.967  -2.748  -0.780
  262   1HD   LYS  85          2HD       LYS  85 -13.102  -2.848   1.465
  263   2HD   LYS  85          3HD       LYS  85 -14.812  -3.270   1.389
  264   1HE   LYS  85          2HE       LYS  85 -13.320  -5.560   0.538
  265   2HE   LYS  85          3HE       LYS  85 -12.627  -4.984   2.068
  266   1HZ   LYS  85          1HZ       LYS  85 -15.541  -5.287   1.580
  267   2HZ   LYS  85          2HZ       LYS  85 -14.589  -6.464   2.353
  268   3HZ   LYS  85          3HZ       LYS  85 -14.782  -4.928   3.054
   
  No H/Q in entry =         268
  Start of MODEL   13
    1   1H    SER  45          2H        SER  45  13.936   5.925  -5.363
    2   2H    SER  45          1H        SER  45  15.090   6.255  -6.567
    3   3H    SER  45          3H        SER  45  14.966   4.693  -5.910
    4    HA   SER  45           HA       SER  45  16.793   5.496  -4.773
    5   1HB   SER  45          2HB       SER  45  16.770   7.675  -5.774
    6   2HB   SER  45          3HB       SER  45  15.248   8.091  -4.992
    7    HG   SER  45           HG       SER  45  17.568   8.676  -4.102
    8    H    ASP  46           H        ASP  46  14.734   3.999  -3.711
    9    HA   ASP  46           HA       ASP  46  14.471   5.153  -0.962
   10   1HB   ASP  46          2HB       ASP  46  12.429   4.537  -2.950
   11   2HB   ASP  46          3HB       ASP  46  12.160   3.647  -1.451
   12    H    GLY  47           H        GLY  47  13.173   2.157  -2.367
   13   1HA   GLY  47          2HA       GLY  47  14.290  -0.023  -2.166
   14   2HA   GLY  47          3HA       GLY  47  15.158   0.606  -0.765
   15    H    ASP  48           H        ASP  48  12.396   1.900  -0.053
   16    HA   ASP  48           HA       ASP  48  11.485  -0.429   1.553
   17   1HB   ASP  48          2HB       ASP  48  10.842   2.538   1.591
   18   2HB   ASP  48          3HB       ASP  48  10.250   1.369   2.771
   19    H    GLN  49           H        GLN  49  10.521   1.550  -1.136
   20    HA   GLN  49           HA       GLN  49   8.793   1.333  -2.668
   21   1HB   GLN  49          2HB       GLN  49   8.717  -1.152  -1.087
   22   2HB   GLN  49          3HB       GLN  49   7.262  -0.787  -2.005
   23   1HG   GLN  49          2HG       GLN  49  10.095  -0.990  -3.062
   24   2HG   GLN  49          3HG       GLN  49   8.768  -2.100  -3.399
   25   1HE2  GLN  49          1HE2      GLN  49   7.269   1.137  -4.990
   26   2HE2  GLN  49          2HE2      GLN  49   7.011   0.545  -3.419
   27    H    CYS  50           H        CYS  50   7.837   1.134   0.758
   28    HA   CYS  50           HA       CYS  50   5.123   2.067   0.231
   29   1HB   CYS  50          2HB       CYS  50   5.320   0.718   2.129
   30   2HB   CYS  50          3HB       CYS  50   6.877   1.405   2.580
   31    H    ALA  51           H        ALA  51   8.125   3.564   0.181
   32    HA   ALA  51           HA       ALA  51   7.662   6.028   1.564
   33   1HB   ALA  51          3HB       ALA  51   9.749   4.855   0.367
   34   2HB   ALA  51          1HB       ALA  51   9.262   5.908  -0.960
   35   3HB   ALA  51          2HB       ALA  51   9.693   6.602   0.603
   36    H    SER  52           H        SER  52   7.175   5.126  -1.868
   37    HA   SER  52           HA       SER  52   6.134   7.671  -2.705
   38   1HB   SER  52          2HB       SER  52   5.454   6.379  -4.679
   39   2HB   SER  52          3HB       SER  52   7.054   5.860  -4.155
   40    HG   SER  52           HG       SER  52   6.233   4.008  -3.434
   41    H    SER  53           H        SER  53   4.818   5.290  -0.673
   42    HA   SER  53           HA       SER  53   2.686   5.152   0.345
   43   1HB   SER  53          2HB       SER  53   3.074   7.735  -0.076
   44   2HB   SER  53          3HB       SER  53   1.829   7.514  -1.303
   45    HG   SER  53           HG       SER  53   0.420   7.436   0.243
   46    HA   PRO  54           HA       PRO  54   1.379   3.373  -3.814
   47   1HB   PRO  54          2HB       PRO  54   1.256   0.781  -2.786
   48   2HB   PRO  54          3HB       PRO  54   2.622   1.450  -3.702
   49   1HG   PRO  54          2HG       PRO  54   2.306   1.073  -0.781
   50   2HG   PRO  54          3HG       PRO  54   3.761   0.985  -1.785
   51   1HD   PRO  54          2HD       PRO  54   3.193   3.094  -0.169
   52   2HD   PRO  54          3HD       PRO  54   4.139   3.241  -1.668
   53    H    CYS  55           H        CYS  55   0.412   2.086  -0.603
   54    HA   CYS  55           HA       CYS  55  -2.216   1.354  -1.051
   55   1HB   CYS  55          2HB       CYS  55  -0.623   1.658   1.090
   56   2HB   CYS  55          3HB       CYS  55  -1.638   3.085   1.317
   57    H    GLN  56           H        GLN  56  -4.270   2.625  -0.583
   58    HA   GLN  56           HA       GLN  56  -4.035   5.527  -1.230
   59   1HB   GLN  56          2HB       GLN  56  -5.762   3.467  -2.638
   60   2HB   GLN  56          3HB       GLN  56  -5.809   5.204  -2.946
   61   1HG   GLN  56          2HG       GLN  56  -3.368   5.111  -3.505
   62   2HG   GLN  56          3HG       GLN  56  -3.449   3.353  -3.362
   63   1HE2  GLN  56          1HE2      GLN  56  -4.010   4.126  -6.953
   64   2HE2  GLN  56          2HE2      GLN  56  -2.720   4.270  -5.846
   65    H    ASN  57           H        ASN  57  -6.646   6.195  -1.392
   66    HA   ASN  57           HA       ASN  57  -8.403   6.812   0.088
   67   1HB   ASN  57          2HB       ASN  57  -8.550   3.875   0.710
   68   2HB   ASN  57          3HB       ASN  57  -9.852   4.987   0.295
   69   1HD2  ASN  57          1HD2      ASN  57  -9.495   4.506  -3.214
   70   2HD2  ASN  57          2HD2      ASN  57 -10.237   5.431  -1.988
   71    H    GLY  58           H        GLY  58  -6.123   7.338   1.457
   72   1HA   GLY  58          2HA       GLY  58  -5.241   7.533   3.623
   73   2HA   GLY  58          3HA       GLY  58  -6.851   7.082   4.189
   74    H    GLY  59           H        GLY  59  -4.675   5.116   2.181
   75   1HA   GLY  59          2HA       GLY  59  -4.835   3.022   4.292
   76   2HA   GLY  59          3HA       GLY  59  -4.446   2.727   2.594
   77    H    SER  60           H        SER  60  -2.759   1.607   4.364
   78    HA   SER  60           HA       SER  60  -0.397   3.449   4.513
   79   1HB   SER  60          2HB       SER  60  -1.003   0.888   6.026
   80   2HB   SER  60          3HB       SER  60   0.308   2.018   6.360
   81    HG   SER  60           HG       SER  60  -2.001   2.082   7.445
   82    H    CYS  61           H        CYS  61   1.727   2.324   4.131
   83    HA   CYS  61           HA       CYS  61   1.441   0.073   2.168
   84   1HB   CYS  61          2HB       CYS  61   3.621   1.188   1.234
   85   2HB   CYS  61          3HB       CYS  61   2.065   1.923   0.867
   86    H    LYS  62           H        LYS  62   2.756  -1.682   2.526
   87    HA   LYS  62           HA       LYS  62   4.483  -1.615   4.950
   88   1HB   LYS  62          2HB       LYS  62   2.636  -3.329   4.453
   89   2HB   LYS  62          3HB       LYS  62   3.715  -3.969   3.215
   90   1HG   LYS  62          2HG       LYS  62   4.815  -5.137   4.787
   91   2HG   LYS  62          3HG       LYS  62   5.252  -3.627   5.588
   92   1HD   LYS  62          2HD       LYS  62   3.078  -3.651   6.784
   93   2HD   LYS  62          3HD       LYS  62   2.689  -5.191   6.017
   94   1HE   LYS  62          2HE       LYS  62   3.719  -6.183   7.784
   95   2HE   LYS  62          3HE       LYS  62   5.247  -5.581   7.109
   96   1HZ   LYS  62          3HZ       LYS  62   4.862  -3.469   8.245
   97   2HZ   LYS  62          1HZ       LYS  62   3.438  -4.086   8.936
   98   3HZ   LYS  62          2HZ       LYS  62   4.940  -4.752   9.357
   99    H    ASP  63           H        ASP  63   6.699  -1.805   4.786
  100    HA   ASP  63           HA       ASP  63   7.848  -1.970   2.031
  101   1HB   ASP  63          2HB       ASP  63   9.797  -0.888   3.129
  102   2HB   ASP  63          3HB       ASP  63   8.315   0.032   3.390
  103    H    GLN  64           H        GLN  64   8.311  -4.118   1.599
  104    HA   GLN  64           HA       GLN  64   9.623  -5.717   3.768
  105   1HB   GLN  64          2HB       GLN  64   8.898  -7.296   1.482
  106   2HB   GLN  64          3HB       GLN  64   8.223  -7.361   3.105
  107   1HG   GLN  64          2HG       GLN  64   6.726  -5.420   2.456
  108   2HG   GLN  64          3HG       GLN  64   7.296  -5.628   0.799
  109   1HE2  GLN  64          1HE2      GLN  64   4.204  -7.683   1.153
  110   2HE2  GLN  64          2HE2      GLN  64   4.580  -6.021   1.235
  111    H    LEU  65           H        LEU  65  10.678  -7.667   1.895
  112    HA   LEU  65           HA       LEU  65  13.266  -6.647   1.405
  113   1HB   LEU  65          2HB       LEU  65  11.639  -8.912   0.235
  114   2HB   LEU  65          3HB       LEU  65  13.346  -8.685  -0.147
  115    HG   LEU  65           HG       LEU  65  13.382  -8.473   2.579
  116   1HD1  LEU  65          1HD1      LEU  65  11.100 -10.256   1.755
  117   2HD1  LEU  65          2HD1      LEU  65  12.024 -10.613   3.215
  118   3HD1  LEU  65          3HD1      LEU  65  11.167  -9.078   3.066
  119   1HD2  LEU  65          3HD2      LEU  65  13.712 -10.839   0.728
  120   2HD2  LEU  65          1HD2      LEU  65  14.967  -9.835   1.455
  121   3HD2  LEU  65          2HD2      LEU  65  14.055 -10.965   2.454
  122    H    GLN  66           H        GLN  66  12.375  -7.899  -1.586
  123    HA   GLN  66           HA       GLN  66  12.747  -5.272  -2.873
  124   1HB   GLN  66          2HB       GLN  66  12.847  -6.710  -4.909
  125   2HB   GLN  66          3HB       GLN  66  13.940  -7.276  -3.645
  126   1HG   GLN  66          2HG       GLN  66  12.832  -9.232  -3.429
  127   2HG   GLN  66          3HG       GLN  66  11.265  -8.423  -3.386
  128   1HE2  GLN  66          1HE2      GLN  66  12.662  -9.940  -6.911
  129   2HE2  GLN  66          2HE2      GLN  66  13.661  -9.903  -5.538
  130    H    SER  67           H        SER  67  10.210  -5.820  -1.394
  131    HA   SER  67           HA       SER  67   8.351  -5.057  -3.560
  132   1HB   SER  67          2HB       SER  67   6.884  -7.025  -2.351
  133   2HB   SER  67          3HB       SER  67   7.817  -7.260  -3.826
  134    HG   SER  67           HG       SER  67   9.148  -8.470  -2.744
  135    H    TYR  68           H        TYR  68   6.001  -4.995  -2.362
  136    HA   TYR  68           HA       TYR  68   6.161  -4.180   0.463
  137   1HB   TYR  68          2HB       TYR  68   5.558  -1.852  -0.012
  138   2HB   TYR  68          3HB       TYR  68   7.044  -2.260  -0.873
  139    HD1  TYR  68           HD1      TYR  68   7.013  -2.660  -3.314
  140    HD2  TYR  68           HD2      TYR  68   3.484  -1.445  -1.189
  141    HE1  TYR  68           HE1      TYR  68   5.926  -2.067  -5.461
  142    HE2  TYR  68           HE2      TYR  68   2.395  -0.852  -3.337
  143    HH   TYR  68           HH       TYR  68   3.946  -0.336  -6.102
  144    H    ILE  69           H        ILE  69   4.004  -3.912   1.367
  145    HA   ILE  69           HA       ILE  69   1.755  -4.580  -0.490
  146    HB   ILE  69           HB       ILE  69   2.831  -6.031   1.893
  147   1HG1  ILE  69          2HG1      ILE  69   1.593  -6.766  -0.770
  148   2HG1  ILE  69          3HG1      ILE  69   3.281  -6.941  -0.289
  149   1HG2  ILE  69          3HG2      ILE  69   0.500  -5.372   2.527
  150   2HG2  ILE  69          1HG2      ILE  69  -0.083  -6.148   1.054
  151   3HG2  ILE  69          2HG2      ILE  69   0.686  -7.112   2.315
  152   1HD1  ILE  69          3HD1      ILE  69   1.999  -8.327   1.696
  153   2HD1  ILE  69          1HD1      ILE  69   0.971  -8.670   0.304
  154   3HD1  ILE  69          2HD1      ILE  69   2.690  -9.066   0.251
  155    H    CYS  70           H        CYS  70   0.238  -3.008  -0.248
  156    HA   CYS  70           HA       CYS  70   0.153  -1.277   2.088
  157   1HB   CYS  70          2HB       CYS  70  -0.470  -0.042   0.308
  158   2HB   CYS  70          3HB       CYS  70  -0.815  -1.474  -0.629
  159    H    PHE  71           H        PHE  71  -2.206  -0.915   3.019
  160    HA   PHE  71           HA       PHE  71  -3.579  -3.549   3.389
  161   1HB   PHE  71          2HB       PHE  71  -2.360  -1.673   5.408
  162   2HB   PHE  71          3HB       PHE  71  -3.705  -2.724   5.871
  163    HD1  PHE  71           HD1      PHE  71  -0.348  -2.809   4.205
  164    HD2  PHE  71           HD2      PHE  71  -3.300  -4.956   6.472
  165    HE1  PHE  71           HE1      PHE  71   1.215  -4.725   4.427
  166    HE2  PHE  71           HE2      PHE  71  -1.737  -6.868   6.696
  167    HZ   PHE  71           HZ       PHE  71   0.520  -6.752   5.674
  168    H    CYS  72           H        CYS  72  -3.718  -0.013   3.645
  169    HA   CYS  72           HA       CYS  72  -5.574   1.453   3.651
  170   1HB   CYS  72          2HB       CYS  72  -5.663  -0.340   1.565
  171   2HB   CYS  72          3HB       CYS  72  -7.271  -0.519   2.275
  172    H    LEU  73           H        LEU  73  -8.349   0.769   3.644
  173    HA   LEU  73           HA       LEU  73  -8.619  -0.452   6.372
  174   1HB   LEU  73          2HB       LEU  73 -10.536   1.463   5.025
  175   2HB   LEU  73          3HB       LEU  73 -10.340   1.151   6.749
  176    HG   LEU  73           HG       LEU  73  -8.199   2.415   5.013
  177   1HD1  LEU  73          3HD1      LEU  73 -10.376   3.755   5.337
  178   2HD1  LEU  73          1HD1      LEU  73  -9.931   3.833   7.042
  179   3HD1  LEU  73          2HD1      LEU  73  -8.874   4.544   5.822
  180   1HD2  LEU  73          1HD2      LEU  73  -7.611   1.155   7.182
  181   2HD2  LEU  73          2HD2      LEU  73  -7.046   2.821   7.055
  182   3HD2  LEU  73          3HD2      LEU  73  -8.470   2.444   8.025
  183    HA   PRO  74           HA       PRO  74 -11.607  -3.340   4.929
  184   1HB   PRO  74          2HB       PRO  74 -13.961  -2.096   6.183
  185   2HB   PRO  74          3HB       PRO  74 -13.169  -3.636   6.573
  186   1HG   PRO  74          2HG       PRO  74 -13.055  -1.461   8.179
  187   2HG   PRO  74          3HG       PRO  74 -11.781  -2.687   8.103
  188   1HD   PRO  74          2HD       PRO  74 -11.838   0.049   6.944
  189   2HD   PRO  74          3HD       PRO  74 -10.468  -0.886   7.585
  190    H    ALA  75           H        ALA  75 -12.012  -0.049   4.213
  191    HA   ALA  75           HA       ALA  75 -14.316  -0.397   2.394
  192   1HB   ALA  75          1HB       ALA  75 -12.616   1.812   3.495
  193   2HB   ALA  75          2HB       ALA  75 -13.542   2.119   2.025
  194   3HB   ALA  75          3HB       ALA  75 -14.373   1.646   3.507
  195    H    PHE  76           H        PHE  76 -11.100  -1.139   2.152
  196    HA   PHE  76           HA       PHE  76 -11.157  -0.857  -0.798
  197   1HB   PHE  76          2HB       PHE  76  -8.846   0.143   0.886
  198   2HB   PHE  76          3HB       PHE  76  -9.105   0.394  -0.843
  199    HD1  PHE  76           HD1      PHE  76 -10.252   1.313   2.552
  200    HD2  PHE  76           HD2      PHE  76 -10.649   2.072  -1.657
  201    HE1  PHE  76           HE1      PHE  76 -11.527   3.381   3.045
  202    HE2  PHE  76           HE2      PHE  76 -11.924   4.140  -1.164
  203    HZ   PHE  76           HZ       PHE  76 -12.363   4.796   1.187
  204    H    GLU  77           H        GLU  77  -9.156  -2.011  -1.743
  205    HA   GLU  77           HA       GLU  77  -7.654  -3.873  -0.124
  206   1HB   GLU  77          2HB       GLU  77  -8.911  -5.913  -0.957
  207   2HB   GLU  77          3HB       GLU  77  -9.817  -4.913   0.179
  208   1HG   GLU  77          2HG       GLU  77 -11.196  -4.028  -1.495
  209   2HG   GLU  77          3HG       GLU  77 -10.047  -4.414  -2.778
  210    H    GLY  78           H        GLY  78  -6.091  -4.965  -1.410
  211   1HA   GLY  78          2HA       GLY  78  -5.633  -5.829  -3.782
  212   2HA   GLY  78          3HA       GLY  78  -6.119  -4.216  -4.306
  213    H    ARG  79           H        ARG  79  -3.680  -4.822  -5.130
  214    HA   ARG  79           HA       ARG  79  -1.394  -4.657  -3.592
  215   1HB   ARG  79          2HB       ARG  79  -2.084  -3.154  -6.139
  216   2HB   ARG  79          3HB       ARG  79  -0.443  -3.431  -5.555
  217   1HG   ARG  79          2HG       ARG  79  -0.444  -5.608  -6.212
  218   2HG   ARG  79          3HG       ARG  79  -2.112  -5.859  -5.694
  219   1HD   ARG  79          2HD       ARG  79  -1.384  -4.282  -8.183
  220   2HD   ARG  79          3HD       ARG  79  -1.781  -6.013  -8.205
  221    HE   ARG  79           HE       ARG  79  -3.660  -3.944  -7.120
  222   1HH1  ARG  79          1HH1      ARG  79  -3.037  -6.147  -9.603
  223   2HH1  ARG  79          2HH1      ARG  79  -4.623  -6.842  -9.611
  224   1HH2  ARG  79          1HH2      ARG  79  -5.672  -5.139  -6.779
  225   2HH2  ARG  79          2HH2      ARG  79  -6.115  -6.272  -8.012
  226    H    ASN  80           H        ASN  80  -3.300  -1.827  -4.699
  227    HA   ASN  80           HA       ASN  80  -2.022  -0.234  -2.497
  228   1HB   ASN  80          2HB       ASN  80  -3.235   0.764  -5.090
  229   2HB   ASN  80          3HB       ASN  80  -2.184   1.653  -3.986
  230   1HD2  ASN  80          1HD2      ASN  80   0.635  -0.634  -4.968
  231   2HD2  ASN  80          2HD2      ASN  80  -0.194  -0.332  -3.507
  232    H    CYS  81           H        CYS  81  -4.694  -1.905  -2.966
  233    HA   CYS  81           HA       CYS  81  -6.895  -1.752  -2.159
  234   1HB   CYS  81          2HB       CYS  81  -6.851  -0.860  -0.063
  235   2HB   CYS  81          3HB       CYS  81  -5.157  -0.532  -0.400
  236    H    GLU  82           H        GLU  82  -5.733   0.068  -4.470
  237    HA   GLU  82           HA       GLU  82  -7.307   2.436  -4.637
  238   1HB   GLU  82          2HB       GLU  82  -5.474   2.149  -6.116
  239   2HB   GLU  82          3HB       GLU  82  -6.022   0.543  -6.611
  240   1HG   GLU  82          2HG       GLU  82  -8.006   1.579  -7.693
  241   2HG   GLU  82          3HG       GLU  82  -7.391   3.173  -7.253
  242    H    THR  83           H        THR  83  -8.176  -0.900  -4.952
  243    HA   THR  83           HA       THR  83 -10.558  -0.466  -6.598
  244    HB   THR  83           HB       THR  83  -9.561  -2.766  -4.885
  245    HG1  THR  83           HG1      THR  83  -8.201  -2.530  -6.554
  246   1HG2  THR  83          3HG2      THR  83 -12.124  -2.494  -5.631
  247   2HG2  THR  83          1HG2      THR  83 -11.478  -3.164  -7.129
  248   3HG2  THR  83          2HG2      THR  83 -11.312  -4.059  -5.617
  249    H    HIS  84           H        HIS  84 -11.369   1.327  -5.081
  250    HA   HIS  84           HA       HIS  84 -12.157   1.083  -2.431
  251   1HB   HIS  84          2HB       HIS  84 -12.499   3.113  -3.644
  252   2HB   HIS  84          3HB       HIS  84 -13.500   2.305  -4.851
  253    HD1  HIS  84           HD1      HIS  84 -15.956   1.786  -4.227
  254    HD2  HIS  84           HD2      HIS  84 -13.834   3.684  -1.180
  255    HE1  HIS  84           HE1      HIS  84 -17.667   2.511  -2.505
  256    H    LYS  85           H        LYS  85 -13.039  -0.809  -1.612
  257    HA   LYS  85           HA       LYS  85 -14.548  -2.788  -2.796
  258   1HB   LYS  85          2HB       LYS  85 -14.587  -1.492  -0.077
  259   2HB   LYS  85          3HB       LYS  85 -15.685  -2.830  -0.431
  260   1HG   LYS  85          2HG       LYS  85 -13.833  -4.284  -0.992
  261   2HG   LYS  85          3HG       LYS  85 -12.688  -2.947  -0.868
  262   1HD   LYS  85          2HD       LYS  85 -12.602  -3.073   1.397
  263   2HD   LYS  85          3HD       LYS  85 -14.342  -3.329   1.537
  264   1HE   LYS  85          2HE       LYS  85 -13.726  -5.706   0.488
  265   2HE   LYS  85          3HE       LYS  85 -12.156  -5.348   1.235
  266   1HZ   LYS  85          3HZ       LYS  85 -13.294  -4.822   3.300
  267   2HZ   LYS  85          1HZ       LYS  85 -14.794  -5.178   2.595
  268   3HZ   LYS  85          2HZ       LYS  85 -13.649  -6.412   2.821
   
  No H/Q in entry =         268
  Start of MODEL   14
    1   1H    SER  45          2H        SER  45  21.405   3.019  -2.047
    2   2H    SER  45          1H        SER  45  21.076   4.664  -2.312
    3   3H    SER  45          3H        SER  45  20.822   3.980  -0.778
    4    HA   SER  45           HA       SER  45  18.675   4.090  -1.651
    5   1HB   SER  45          2HB       SER  45  19.391   4.817  -3.853
    6   2HB   SER  45          3HB       SER  45  20.093   3.238  -4.193
    7    HG   SER  45           HG       SER  45  17.472   4.089  -4.284
    8    H    ASP  46           H        ASP  46  17.244   2.127  -2.611
    9    HA   ASP  46           HA       ASP  46  18.243  -0.546  -2.533
   10   1HB   ASP  46          2HB       ASP  46  18.858  -0.143  -0.263
   11   2HB   ASP  46          3HB       ASP  46  17.348   0.706   0.072
   12    H    GLY  47           H        GLY  47  15.488   0.288  -0.526
   13   1HA   GLY  47          2HA       GLY  47  13.701  -0.788  -2.664
   14   2HA   GLY  47          3HA       GLY  47  13.345  -0.846  -0.937
   15    H    ASP  48           H        ASP  48  12.945   1.260   0.147
   16    HA   ASP  48           HA       ASP  48  12.015   3.441   0.242
   17   1HB   ASP  48          2HB       ASP  48  13.705   3.377  -1.966
   18   2HB   ASP  48          3HB       ASP  48  12.180   3.960  -2.632
   19    H    GLN  49           H        GLN  49  10.783   0.833  -1.389
   20    HA   GLN  49           HA       GLN  49   8.665   1.563  -2.985
   21   1HB   GLN  49          2HB       GLN  49   8.952  -0.444  -0.768
   22   2HB   GLN  49          3HB       GLN  49   7.475  -0.367  -1.727
   23   1HG   GLN  49          2HG       GLN  49   8.502  -1.169  -3.613
   24   2HG   GLN  49          3HG       GLN  49  10.028  -0.365  -3.247
   25   1HE2  GLN  49          1HE2      GLN  49  10.795  -3.075  -0.771
   26   2HE2  GLN  49          2HE2      GLN  49  10.564  -1.389  -0.664
   27    H    CYS  50           H        CYS  50   8.757   1.765   0.566
   28    HA   CYS  50           HA       CYS  50   6.048   2.903   0.715
   29   1HB   CYS  50          2HB       CYS  50   8.142   1.833   2.471
   30   2HB   CYS  50          3HB       CYS  50   7.322   3.233   3.161
   31    H    ALA  51           H        ALA  51   7.858   4.470  -0.916
   32    HA   ALA  51           HA       ALA  51   8.543   6.810   0.796
   33   1HB   ALA  51          3HB       ALA  51  10.197   5.815  -0.785
   34   2HB   ALA  51          1HB       ALA  51   9.108   6.185  -2.121
   35   3HB   ALA  51          2HB       ALA  51   9.829   7.493  -1.182
   36    H    SER  52           H        SER  52   6.981   6.217  -2.382
   37    HA   SER  52           HA       SER  52   5.620   8.812  -2.300
   38   1HB   SER  52          2HB       SER  52   4.685   7.931  -4.457
   39   2HB   SER  52          3HB       SER  52   6.442   7.850  -4.386
   40    HG   SER  52           HG       SER  52   6.342   5.701  -4.099
   41    H    SER  53           H        SER  53   5.055   5.969  -0.700
   42    HA   SER  53           HA       SER  53   3.155   5.190   0.476
   43   1HB   SER  53          2HB       SER  53   2.945   7.899   0.304
   44   2HB   SER  53          3HB       SER  53   1.478   7.417  -0.544
   45    HG   SER  53           HG       SER  53   2.307   6.764   2.087
   46    HA   PRO  54           HA       PRO  54   1.745   3.536  -3.629
   47   1HB   PRO  54          2HB       PRO  54   1.594   0.951  -2.541
   48   2HB   PRO  54          3HB       PRO  54   2.947   1.596  -3.493
   49   1HG   PRO  54          2HG       PRO  54   2.679   1.273  -0.565
   50   2HG   PRO  54          3HG       PRO  54   4.121   1.194  -1.587
   51   1HD   PRO  54          2HD       PRO  54   3.557   3.312   0.009
   52   2HD   PRO  54          3HD       PRO  54   4.459   3.463  -1.516
   53    H    CYS  55           H        CYS  55   0.668   2.158  -0.490
   54    HA   CYS  55           HA       CYS  55  -2.010   1.619  -1.169
   55   1HB   CYS  55          2HB       CYS  55  -0.424   1.387   1.013
   56   2HB   CYS  55          3HB       CYS  55  -1.408   2.764   1.515
   57    H    GLN  56           H        GLN  56  -3.950   2.900  -0.925
   58    HA   GLN  56           HA       GLN  56  -3.565   5.836  -0.586
   59   1HB   GLN  56          2HB       GLN  56  -4.998   4.369  -2.822
   60   2HB   GLN  56          3HB       GLN  56  -5.030   6.120  -2.599
   61   1HG   GLN  56          2HG       GLN  56  -2.695   6.318  -3.005
   62   2HG   GLN  56          3HG       GLN  56  -2.443   4.580  -2.836
   63   1HE2  GLN  56          1HE2      GLN  56  -4.092   3.946  -6.082
   64   2HE2  GLN  56          2HE2      GLN  56  -4.223   3.383  -4.477
   65    H    ASN  57           H        ASN  57  -5.989   6.810  -0.744
   66    HA   ASN  57           HA       ASN  57  -8.071   6.981   0.359
   67   1HB   ASN  57          2HB       ASN  57  -7.874   3.973  -0.010
   68   2HB   ASN  57          3HB       ASN  57  -9.359   4.863   0.330
   69   1HD2  ASN  57          1HD2      ASN  57  -8.294   4.484  -3.466
   70   2HD2  ASN  57          2HD2      ASN  57  -7.802   3.454  -2.198
   71    H    GLY  58           H        GLY  58  -5.735   6.914   2.032
   72   1HA   GLY  58          2HA       GLY  58  -5.404   6.899   4.371
   73   2HA   GLY  58          3HA       GLY  58  -6.992   6.156   4.553
   74    H    GLY  59           H        GLY  59  -4.982   4.557   2.286
   75   1HA   GLY  59          2HA       GLY  59  -4.728   2.283   4.155
   76   2HA   GLY  59          3HA       GLY  59  -4.380   2.244   2.422
   77    H    SER  60           H        SER  60  -2.729   1.459   4.862
   78    HA   SER  60           HA       SER  60  -0.463   3.360   4.748
   79   1HB   SER  60          2HB       SER  60  -1.504   1.980   6.756
   80   2HB   SER  60          3HB       SER  60  -0.455   0.702   6.149
   81    HG   SER  60           HG       SER  60   0.448   2.209   7.766
   82    H    CYS  61           H        CYS  61   1.788   2.256   4.478
   83    HA   CYS  61           HA       CYS  61   1.628   0.234   2.266
   84   1HB   CYS  61          2HB       CYS  61   3.371   1.442   1.164
   85   2HB   CYS  61          3HB       CYS  61   2.239   2.668   1.730
   86    H    LYS  62           H        LYS  62   2.893  -1.582   2.548
   87    HA   LYS  62           HA       LYS  62   4.595  -1.698   5.000
   88   1HB   LYS  62          2HB       LYS  62   2.673  -3.308   4.487
   89   2HB   LYS  62          3HB       LYS  62   3.684  -3.948   3.191
   90   1HG   LYS  62          2HG       LYS  62   4.910  -5.148   4.647
   91   2HG   LYS  62          3HG       LYS  62   5.203  -3.724   5.646
   92   1HD   LYS  62          2HD       LYS  62   3.342  -4.115   6.990
   93   2HD   LYS  62          3HD       LYS  62   2.514  -5.051   5.747
   94   1HE   LYS  62          2HE       LYS  62   3.250  -6.654   7.375
   95   2HE   LYS  62          3HE       LYS  62   4.410  -6.786   6.037
   96   1HZ   LYS  62          1HZ       LYS  62   4.902  -4.768   8.103
   97   2HZ   LYS  62          2HZ       LYS  62   5.225  -6.390   8.493
   98   3HZ   LYS  62          3HZ       LYS  62   6.012  -5.662   7.178
   99    H    ASP  63           H        ASP  63   6.794  -2.192   4.843
  100    HA   ASP  63           HA       ASP  63   7.921  -2.340   2.067
  101   1HB   ASP  63          2HB       ASP  63   8.389  -0.283   3.383
  102   2HB   ASP  63          3HB       ASP  63   9.115  -1.275   4.648
  103    H    GLN  64           H        GLN  64   8.463  -4.468   1.697
  104    HA   GLN  64           HA       GLN  64   9.634  -6.044   3.955
  105   1HB   GLN  64          2HB       GLN  64   9.127  -7.627   1.610
  106   2HB   GLN  64          3HB       GLN  64   8.324  -7.709   3.174
  107   1HG   GLN  64          2HG       GLN  64   6.797  -5.874   2.451
  108   2HG   GLN  64          3HG       GLN  64   7.568  -5.890   0.866
  109   1HE2  GLN  64          1HE2      GLN  64   4.910  -8.827   1.851
  110   2HE2  GLN  64          2HE2      GLN  64   5.410  -7.685   3.015
  111    H    LEU  65           H        LEU  65  11.246  -7.815   2.905
  112    HA   LEU  65           HA       LEU  65  13.447  -6.241   1.766
  113   1HB   LEU  65          2HB       LEU  65  13.027  -9.029   2.823
  114   2HB   LEU  65          3HB       LEU  65  14.531  -8.599   2.008
  115    HG   LEU  65           HG       LEU  65  13.538  -6.748   4.129
  116   1HD1  LEU  65          1HD1      LEU  65  14.484  -9.558   4.569
  117   2HD1  LEU  65          2HD1      LEU  65  14.995  -8.306   5.700
  118   3HD1  LEU  65          3HD1      LEU  65  13.279  -8.632   5.464
  119   1HD2  LEU  65          1HD2      LEU  65  15.765  -6.857   2.557
  120   2HD2  LEU  65          2HD2      LEU  65  15.718  -6.060   4.130
  121   3HD2  LEU  65          3HD2      LEU  65  16.339  -7.705   3.993
  122    H    GLN  66           H        GLN  66  10.978  -8.302   0.582
  123    HA   GLN  66           HA       GLN  66  12.466  -8.868  -1.943
  124   1HB   GLN  66          2HB       GLN  66   9.730  -9.811  -1.036
  125   2HB   GLN  66          3HB       GLN  66  10.748 -10.529  -2.284
  126   1HG   GLN  66          2HG       GLN  66  12.493 -10.724  -0.306
  127   2HG   GLN  66          3HG       GLN  66  11.044 -10.641   0.696
  128   1HE2  GLN  66          1HE2      GLN  66   9.759 -13.794  -0.483
  129   2HE2  GLN  66          2HE2      GLN  66   9.269 -12.278   0.100
  130    H    SER  67           H        SER  67   9.618  -7.209  -0.671
  131    HA   SER  67           HA       SER  67   9.532  -5.402  -2.965
  132   1HB   SER  67          2HB       SER  67   7.174  -7.245  -2.525
  133   2HB   SER  67          3HB       SER  67   7.485  -6.199  -3.907
  134    HG   SER  67           HG       SER  67   8.020  -8.632  -3.911
  135    H    TYR  68           H        TYR  68   6.442  -5.362  -2.223
  136    HA   TYR  68           HA       TYR  68   6.480  -4.365   0.535
  137   1HB   TYR  68          2HB       TYR  68   6.029  -2.049  -0.066
  138   2HB   TYR  68          3HB       TYR  68   7.513  -2.560  -0.876
  139    HD1  TYR  68           HD1      TYR  68   3.899  -1.881  -1.333
  140    HD2  TYR  68           HD2      TYR  68   7.620  -2.789  -3.274
  141    HE1  TYR  68           HE1      TYR  68   2.883  -1.342  -3.530
  142    HE2  TYR  68           HE2      TYR  68   6.606  -2.250  -5.472
  143    HH   TYR  68           HH       TYR  68   4.081  -0.505  -5.950
  144    H    ILE  69           H        ILE  69   4.311  -4.080   1.324
  145    HA   ILE  69           HA       ILE  69   2.129  -4.663  -0.639
  146    HB   ILE  69           HB       ILE  69   2.960  -6.130   1.849
  147   1HG1  ILE  69          2HG1      ILE  69   2.142  -6.837  -0.976
  148   2HG1  ILE  69          3HG1      ILE  69   3.721  -7.064  -0.222
  149   1HG2  ILE  69          3HG2      ILE  69   0.550  -5.441   2.107
  150   2HG2  ILE  69          1HG2      ILE  69   0.201  -6.280   0.596
  151   3HG2  ILE  69          2HG2      ILE  69   0.778  -7.185   1.995
  152   1HD1  ILE  69          3HD1      ILE  69   2.334  -8.515   1.500
  153   2HD1  ILE  69          1HD1      ILE  69   1.199  -8.633   0.155
  154   3HD1  ILE  69          2HD1      ILE  69   2.855  -9.209  -0.035
  155    H    CYS  70           H        CYS  70   0.568  -3.146  -0.430
  156    HA   CYS  70           HA       CYS  70   0.501  -1.313   1.821
  157   1HB   CYS  70          2HB       CYS  70  -0.178  -0.143   0.019
  158   2HB   CYS  70          3HB       CYS  70  -0.424  -1.614  -0.876
  159    H    PHE  71           H        PHE  71  -1.722  -0.877   2.824
  160    HA   PHE  71           HA       PHE  71  -3.404  -3.297   3.204
  161   1HB   PHE  71          2HB       PHE  71  -1.747  -1.851   5.285
  162   2HB   PHE  71          3HB       PHE  71  -3.143  -2.839   5.734
  163    HD1  PHE  71           HD1      PHE  71   0.247  -2.869   4.276
  164    HD2  PHE  71           HD2      PHE  71  -3.117  -5.257   5.473
  165    HE1  PHE  71           HE1      PHE  71   1.637  -4.916   4.100
  166    HE2  PHE  71           HE2      PHE  71  -1.726  -7.304   5.297
  167    HZ   PHE  71           HZ       PHE  71   0.651  -7.133   4.611
  168    H    CYS  72           H        CYS  72  -5.188  -2.158   2.325
  169    HA   CYS  72           HA       CYS  72  -5.861   0.557   3.126
  170   1HB   CYS  72          2HB       CYS  72  -7.644  -1.523   1.850
  171   2HB   CYS  72          3HB       CYS  72  -7.711   0.227   1.646
  172    H    LEU  73           H        LEU  73  -8.714   0.097   3.393
  173    HA   LEU  73           HA       LEU  73  -8.815  -1.057   6.163
  174   1HB   LEU  73          2HB       LEU  73 -10.604   1.120   5.066
  175   2HB   LEU  73          3HB       LEU  73 -10.228   0.761   6.749
  176    HG   LEU  73           HG       LEU  73  -8.186   1.761   4.744
  177   1HD1  LEU  73          1HD1      LEU  73  -9.839   3.233   6.815
  178   2HD1  LEU  73          2HD1      LEU  73  -8.392   3.907   6.067
  179   3HD1  LEU  73          3HD1      LEU  73  -9.800   3.526   5.076
  180   1HD2  LEU  73          1HD2      LEU  73  -7.490   0.404   6.825
  181   2HD2  LEU  73          2HD2      LEU  73  -6.735   1.984   6.618
  182   3HD2  LEU  73          3HD2      LEU  73  -8.058   1.783   7.766
  183    HA   PRO  74           HA       PRO  74 -12.325  -3.492   5.130
  184   1HB   PRO  74          2HB       PRO  74 -14.316  -1.858   6.574
  185   2HB   PRO  74          3HB       PRO  74 -13.781  -3.521   6.896
  186   1HG   PRO  74          2HG       PRO  74 -13.116  -1.442   8.476
  187   2HG   PRO  74          3HG       PRO  74 -12.074  -2.854   8.248
  188   1HD   PRO  74          2HD       PRO  74 -11.823  -0.118   7.114
  189   2HD   PRO  74          3HD       PRO  74 -10.556  -1.270   7.593
  190    H    ALA  75           H        ALA  75 -12.364  -0.172   4.367
  191    HA   ALA  75           HA       ALA  75 -14.857  -0.229   2.797
  192   1HB   ALA  75          1HB       ALA  75 -12.716   1.721   3.557
  193   2HB   ALA  75          2HB       ALA  75 -13.713   2.092   2.151
  194   3HB   ALA  75          3HB       ALA  75 -14.466   1.862   3.729
  195    H    PHE  76           H        PHE  76 -11.363  -0.411   2.226
  196    HA   PHE  76           HA       PHE  76 -11.925  -0.782  -0.691
  197   1HB   PHE  76          2HB       PHE  76  -9.283  -0.013   0.567
  198   2HB   PHE  76          3HB       PHE  76  -9.812   0.237  -1.099
  199    HD1  PHE  76           HD1      PHE  76 -10.509   1.242   2.429
  200    HD2  PHE  76           HD2      PHE  76 -10.934   2.219  -1.732
  201    HE1  PHE  76           HE1      PHE  76 -11.391   3.476   3.044
  202    HE2  PHE  76           HE2      PHE  76 -11.817   4.453  -1.117
  203    HZ   PHE  76           HZ       PHE  76 -12.044   5.083   1.272
  204    H    GLU  77           H        GLU  77  -9.965  -2.149  -1.677
  205    HA   GLU  77           HA       GLU  77  -8.765  -4.163   0.035
  206   1HB   GLU  77          2HB       GLU  77 -11.177  -4.786   0.086
  207   2HB   GLU  77          3HB       GLU  77 -11.155  -4.934  -1.671
  208   1HG   GLU  77          2HG       GLU  77 -10.685  -7.121  -1.198
  209   2HG   GLU  77          3HG       GLU  77  -9.038  -6.505  -1.049
  210    H    GLY  78           H        GLY  78  -6.928  -3.530  -1.283
  211   1HA   GLY  78          2HA       GLY  78  -6.577  -5.142  -3.655
  212   2HA   GLY  78          3HA       GLY  78  -6.768  -3.438  -4.073
  213    H    ARG  79           H        ARG  79  -4.373  -4.557  -4.697
  214    HA   ARG  79           HA       ARG  79  -2.324  -4.595  -2.748
  215   1HB   ARG  79          2HB       ARG  79  -2.332  -3.729  -5.656
  216   2HB   ARG  79          3HB       ARG  79  -0.874  -4.107  -4.736
  217   1HG   ARG  79          2HG       ARG  79  -1.775  -6.385  -4.296
  218   2HG   ARG  79          3HG       ARG  79  -3.173  -6.003  -5.302
  219   1HD   ARG  79          2HD       ARG  79  -1.493  -7.228  -6.630
  220   2HD   ARG  79          3HD       ARG  79  -1.613  -5.558  -7.219
  221    HE   ARG  79           HE       ARG  79   0.363  -5.923  -5.085
  222   1HH1  ARG  79          1HH1      ARG  79  -0.059  -4.337  -7.897
  223   2HH1  ARG  79          2HH1      ARG  79   1.461  -4.748  -8.619
  224   1HH2  ARG  79          1HH2      ARG  79   2.232  -7.164  -6.255
  225   2HH2  ARG  79          2HH2      ARG  79   2.758  -6.348  -7.688
  226    H    ASN  80           H        ASN  80  -4.170  -1.927  -3.899
  227    HA   ASN  80           HA       ASN  80  -2.551  -0.063  -2.257
  228   1HB   ASN  80          2HB       ASN  80  -2.834  -0.049  -5.258
  229   2HB   ASN  80          3HB       ASN  80  -2.623   1.475  -4.394
  230   1HD2  ASN  80          1HD2      ASN  80   0.624  -0.693  -5.129
  231   2HD2  ASN  80          2HD2      ASN  80  -0.853  -0.840  -5.970
  232    H    CYS  81           H        CYS  81  -5.340  -1.219  -2.322
  233    HA   CYS  81           HA       CYS  81  -7.509  -0.404  -1.826
  234   1HB   CYS  81          2HB       CYS  81  -6.283   2.354  -2.039
  235   2HB   CYS  81          3HB       CYS  81  -7.634   1.838  -1.030
  236    H    GLU  82           H        GLU  82  -5.973  -0.177  -4.661
  237    HA   GLU  82           HA       GLU  82  -7.451   1.753  -6.184
  238   1HB   GLU  82          2HB       GLU  82  -5.494   0.989  -7.183
  239   2HB   GLU  82          3HB       GLU  82  -5.759  -0.679  -6.667
  240   1HG   GLU  82          2HG       GLU  82  -7.639  -0.837  -8.309
  241   2HG   GLU  82          3HG       GLU  82  -7.244   0.787  -8.872
  242    H    THR  83           H        THR  83  -8.451  -1.145  -4.714
  243    HA   THR  83           HA       THR  83 -10.672  -1.540  -6.680
  244    HB   THR  83           HB       THR  83  -9.438  -3.241  -4.496
  245    HG1  THR  83           HG1      THR  83  -9.291  -4.574  -6.557
  246   1HG2  THR  83          3HG2      THR  83 -12.110  -3.297  -5.474
  247   2HG2  THR  83          1HG2      THR  83 -11.269  -4.692  -6.152
  248   3HG2  THR  83          2HG2      THR  83 -11.322  -4.458  -4.404
  249    H    HIS  84           H        HIS  84 -11.188   0.691  -5.302
  250    HA   HIS  84           HA       HIS  84 -12.215   0.661  -2.703
  251   1HB   HIS  84          2HB       HIS  84 -12.073   2.694  -3.946
  252   2HB   HIS  84          3HB       HIS  84 -13.067   2.050  -5.252
  253    HD1  HIS  84           HD1      HIS  84 -14.757   4.050  -4.904
  254    HD2  HIS  84           HD2      HIS  84 -14.406   1.490  -1.633
  255    HE1  HIS  84           HE1      HIS  84 -16.711   4.566  -3.377
  256    H    LYS  85           H        LYS  85 -13.745  -0.655  -1.799
  257    HA   LYS  85           HA       LYS  85 -15.457  -2.396  -3.318
  258   1HB   LYS  85          2HB       LYS  85 -15.458  -1.425  -0.443
  259   2HB   LYS  85          3HB       LYS  85 -16.478  -2.740  -1.032
  260   1HG   LYS  85          2HG       LYS  85 -14.716  -4.192  -1.258
  261   2HG   LYS  85          3HG       LYS  85 -13.578  -2.910  -1.677
  262   1HD   LYS  85          2HD       LYS  85 -12.840  -2.881   0.445
  263   2HD   LYS  85          3HD       LYS  85 -14.456  -2.438   0.994
  264   1HE   LYS  85          2HE       LYS  85 -13.471  -4.611   1.976
  265   2HE   LYS  85          3HE       LYS  85 -15.092  -4.743   1.264
  266   1HZ   LYS  85          1HZ       LYS  85 -12.901  -5.003  -0.611
  267   2HZ   LYS  85          2HZ       LYS  85 -13.006  -6.262   0.525
  268   3HZ   LYS  85          3HZ       LYS  85 -14.329  -5.909  -0.481
   
  No H/Q in entry =         268
  Start of MODEL   15
    1   1H    SER  45          1H        SER  45  13.995  11.076  -4.906
    2   2H    SER  45          3H        SER  45  14.885  12.377  -4.276
    3   3H    SER  45          2H        SER  45  15.653  10.893  -4.584
    4    HA   SER  45           HA       SER  45  15.331  10.934  -2.259
    5   1HB   SER  45          2HB       SER  45  13.884  12.685  -1.858
    6   2HB   SER  45          3HB       SER  45  12.842  12.267  -3.214
    7    HG   SER  45           HG       SER  45  13.034  10.544  -1.003
    8    H    ASP  46           H        ASP  46  12.055  10.119  -3.307
    9    HA   ASP  46           HA       ASP  46  11.863   7.587  -2.192
   10   1HB   ASP  46          2HB       ASP  46  10.151   7.202  -3.958
   11   2HB   ASP  46          3HB       ASP  46  10.042   8.831  -3.287
   12    H    GLY  47           H        GLY  47  11.815   5.434  -3.467
   13   1HA   GLY  47          2HA       GLY  47  13.108   4.797  -5.799
   14   2HA   GLY  47          3HA       GLY  47  14.451   5.045  -4.681
   15    H    ASP  48           H        ASP  48  12.581   4.064  -2.448
   16    HA   ASP  48           HA       ASP  48  13.285   1.214  -2.755
   17   1HB   ASP  48          2HB       ASP  48  11.961   2.730  -0.482
   18   2HB   ASP  48          3HB       ASP  48  12.749   1.155  -0.376
   19    H    GLN  49           H        GLN  49  10.574   1.472  -0.776
   20    HA   GLN  49           HA       GLN  49   8.702   0.807  -3.013
   21   1HB   GLN  49          2HB       GLN  49   8.855  -0.637  -0.370
   22   2HB   GLN  49          3HB       GLN  49   7.974  -1.128  -1.810
   23   1HG   GLN  49          2HG       GLN  49   9.928  -1.745  -2.956
   24   2HG   GLN  49          3HG       GLN  49  10.964  -0.779  -1.906
   25   1HE2  GLN  49          1HE2      GLN  49  10.852  -3.228   0.780
   26   2HE2  GLN  49          2HE2      GLN  49  10.833  -1.539   0.539
   27    H    CYS  50           H        CYS  50   8.646   1.128   0.558
   28    HA   CYS  50           HA       CYS  50   6.060   2.557   0.384
   29   1HB   CYS  50          2HB       CYS  50   7.759   1.227   2.458
   30   2HB   CYS  50          3HB       CYS  50   6.595   2.436   2.998
   31    H    ALA  51           H        ALA  51   8.655   3.822  -0.531
   32    HA   ALA  51           HA       ALA  51   8.989   5.994   1.483
   33   1HB   ALA  51          3HB       ALA  51  10.781   4.540   0.085
   34   2HB   ALA  51          1HB       ALA  51  10.546   5.865  -1.055
   35   3HB   ALA  51          2HB       ALA  51  11.102   6.201   0.586
   36    H    SER  52           H        SER  52   6.571   5.732  -0.297
   37    HA   SER  52           HA       SER  52   6.503   8.510  -1.226
   38   1HB   SER  52          2HB       SER  52   6.134   6.344  -3.295
   39   2HB   SER  52          3HB       SER  52   6.426   8.062  -3.551
   40    HG   SER  52           HG       SER  52   8.518   7.796  -2.932
   41    H    SER  53           H        SER  53   4.979   6.549   0.520
   42    HA   SER  53           HA       SER  53   2.730   5.878   0.898
   43   1HB   SER  53          2HB       SER  53   2.330   8.504  -0.566
   44   2HB   SER  53          3HB       SER  53   1.249   7.793   0.629
   45    HG   SER  53           HG       SER  53   3.229   9.428   1.074
   46    HA   PRO  54           HA       PRO  54   2.148   4.657  -3.579
   47   1HB   PRO  54          2HB       PRO  54   2.653   1.985  -3.263
   48   2HB   PRO  54          3HB       PRO  54   3.922   3.171  -3.633
   49   1HG   PRO  54          2HG       PRO  54   3.233   1.880  -1.053
   50   2HG   PRO  54          3HG       PRO  54   4.812   2.353  -1.694
   51   1HD   PRO  54          2HD       PRO  54   3.408   3.768   0.206
   52   2HD   PRO  54          3HD       PRO  54   4.654   4.462  -0.855
   53    H    CYS  55           H        CYS  55   0.758   4.203  -0.596
   54    HA   CYS  55           HA       CYS  55  -1.316   2.271  -1.489
   55   1HB   CYS  55          2HB       CYS  55  -1.188   3.713   1.159
   56   2HB   CYS  55          3HB       CYS  55  -1.829   2.106   0.812
   57    H    GLN  56           H        GLN  56  -3.625   2.891  -1.222
   58    HA   GLN  56           HA       GLN  56  -4.087   5.837  -1.451
   59   1HB   GLN  56          2HB       GLN  56  -5.173   3.545  -3.111
   60   2HB   GLN  56          3HB       GLN  56  -5.778   5.200  -3.214
   61   1HG   GLN  56          2HG       GLN  56  -3.636   6.020  -3.936
   62   2HG   GLN  56          3HG       GLN  56  -2.868   4.467  -3.605
   63   1HE2  GLN  56          1HE2      GLN  56  -3.891   3.006  -6.669
   64   2HE2  GLN  56          2HE2      GLN  56  -3.136   2.757  -5.160
   65    H    ASN  57           H        ASN  57  -6.525   6.301  -1.178
   66    HA   ASN  57           HA       ASN  57  -8.428   6.223   0.219
   67   1HB   ASN  57          2HB       ASN  57  -7.749   3.285  -0.105
   68   2HB   ASN  57          3HB       ASN  57  -9.269   3.878   0.565
   69   1HD2  ASN  57          1HD2      ASN  57  -8.879   3.677  -3.414
   70   2HD2  ASN  57          2HD2      ASN  57  -7.815   2.911  -2.321
   71    H    GLY  58           H        GLY  58  -5.934   6.692   1.547
   72   1HA   GLY  58          2HA       GLY  58  -5.057   6.729   3.721
   73   2HA   GLY  58          3HA       GLY  58  -6.654   6.211   4.259
   74    H    GLY  59           H        GLY  59  -4.862   4.265   1.975
   75   1HA   GLY  59          2HA       GLY  59  -4.895   2.024   3.862
   76   2HA   GLY  59          3HA       GLY  59  -4.298   1.970   2.198
   77    H    SER  60           H        SER  60  -3.051   1.066   4.809
   78    HA   SER  60           HA       SER  60  -0.786   2.863   5.261
   79   1HB   SER  60          2HB       SER  60  -1.114  -0.031   6.081
   80   2HB   SER  60          3HB       SER  60  -0.190   1.224   6.903
   81    HG   SER  60           HG       SER  60  -2.844   0.616   7.043
   82    H    CYS  61           H        CYS  61   1.500   1.940   5.037
   83    HA   CYS  61           HA       CYS  61   1.732   0.370   2.487
   84   1HB   CYS  61          2HB       CYS  61   2.340   2.874   2.564
   85   2HB   CYS  61          3HB       CYS  61   3.700   2.394   3.577
   86    H    LYS  62           H        LYS  62   2.570  -1.639   2.918
   87    HA   LYS  62           HA       LYS  62   4.222  -2.045   5.356
   88   1HB   LYS  62          2HB       LYS  62   2.255  -3.502   4.613
   89   2HB   LYS  62          3HB       LYS  62   3.295  -4.069   3.306
   90   1HG   LYS  62          2HG       LYS  62   4.336  -5.492   4.698
   91   2HG   LYS  62          3HG       LYS  62   4.752  -4.167   5.785
   92   1HD   LYS  62          2HD       LYS  62   2.452  -4.319   6.766
   93   2HD   LYS  62          3HD       LYS  62   2.163  -5.743   5.764
   94   1HE   LYS  62          2HE       LYS  62   4.619  -5.684   7.495
   95   2HE   LYS  62          3HE       LYS  62   3.050  -6.053   8.236
   96   1HZ   LYS  62          1HZ       LYS  62   4.112  -7.364   5.791
   97   2HZ   LYS  62          2HZ       LYS  62   4.161  -8.048   7.345
   98   3HZ   LYS  62          3HZ       LYS  62   2.667  -7.747   6.592
   99    H    ASP  63           H        ASP  63   6.404  -2.557   5.250
  100    HA   ASP  63           HA       ASP  63   7.657  -2.501   2.527
  101   1HB   ASP  63          2HB       ASP  63   9.638  -1.666   3.794
  102   2HB   ASP  63          3HB       ASP  63   8.221  -0.641   4.024
  103    H    GLN  64           H        GLN  64   8.059  -4.611   1.931
  104    HA   GLN  64           HA       GLN  64   9.075  -6.497   4.022
  105   1HB   GLN  64          2HB       GLN  64   8.507  -7.783   1.516
  106   2HB   GLN  64          3HB       GLN  64   7.670  -7.977   3.051
  107   1HG   GLN  64          2HG       GLN  64   6.322  -5.921   2.496
  108   2HG   GLN  64          3HG       GLN  64   7.073  -5.925   0.900
  109   1HE2  GLN  64          1HE2      GLN  64   4.643  -8.172  -0.286
  110   2HE2  GLN  64          2HE2      GLN  64   5.614  -6.799  -0.572
  111    H    LEU  65           H        LEU  65  10.614  -8.226   2.859
  112    HA   LEU  65           HA       LEU  65  12.900  -6.678   1.850
  113   1HB   LEU  65          2HB       LEU  65  12.756  -8.660   3.565
  114   2HB   LEU  65          3HB       LEU  65  12.759  -9.668   2.117
  115    HG   LEU  65           HG       LEU  65  14.796  -7.525   2.150
  116   1HD1  LEU  65          3HD1      LEU  65  14.596  -8.530   4.559
  117   2HD1  LEU  65          1HD1      LEU  65  15.330  -9.960   3.834
  118   3HD1  LEU  65          2HD1      LEU  65  16.188  -8.420   3.810
  119   1HD2  LEU  65          1HD2      LEU  65  14.324  -9.674   0.601
  120   2HD2  LEU  65          2HD2      LEU  65  15.948  -9.032   0.844
  121   3HD2  LEU  65          3HD2      LEU  65  15.399 -10.421   1.782
  122    H    GLN  66           H        GLN  66  10.341  -8.516   0.515
  123    HA   GLN  66           HA       GLN  66  11.826  -8.992  -2.032
  124   1HB   GLN  66          2HB       GLN  66   9.056  -9.892  -1.184
  125   2HB   GLN  66          3HB       GLN  66  10.043 -10.559  -2.486
  126   1HG   GLN  66          2HG       GLN  66  11.561 -10.605  -0.045
  127   2HG   GLN  66          3HG       GLN  66   9.994 -11.368   0.235
  128   1HE2  GLN  66          1HE2      GLN  66  12.549 -13.054  -2.516
  129   2HE2  GLN  66          2HE2      GLN  66  12.721 -11.412  -2.124
  130    H    SER  67           H        SER  67   9.338  -7.036  -0.591
  131    HA   SER  67           HA       SER  67   9.228  -5.182  -2.778
  132   1HB   SER  67          2HB       SER  67   6.979  -5.821  -3.634
  133   2HB   SER  67          3HB       SER  67   8.151  -7.115  -3.870
  134    HG   SER  67           HG       SER  67   5.999  -7.626  -2.887
  135    H    TYR  68           H        TYR  68   6.133  -5.054  -2.151
  136    HA   TYR  68           HA       TYR  68   6.093  -4.308   0.686
  137   1HB   TYR  68          2HB       TYR  68   5.759  -1.925   0.261
  138   2HB   TYR  68          3HB       TYR  68   7.274  -2.439  -0.486
  139    HD1  TYR  68           HD1      TYR  68   7.354  -2.894  -2.953
  140    HD2  TYR  68           HD2      TYR  68   3.925  -1.133  -1.057
  141    HE1  TYR  68           HE1      TYR  68   6.525  -2.129  -5.163
  142    HE2  TYR  68           HE2      TYR  68   3.099  -0.364  -3.266
  143    HH   TYR  68           HH       TYR  68   3.526  -0.219  -5.437
  144    H    ILE  69           H        ILE  69   3.933  -4.047   1.426
  145    HA   ILE  69           HA       ILE  69   1.776  -4.247  -0.638
  146    HB   ILE  69           HB       ILE  69   2.500  -6.091   1.615
  147   1HG1  ILE  69          2HG1      ILE  69   1.573  -6.350  -1.253
  148   2HG1  ILE  69          3HG1      ILE  69   3.154  -6.770  -0.591
  149   1HG2  ILE  69          1HG2      ILE  69  -0.291  -5.705   0.486
  150   2HG2  ILE  69          2HG2      ILE  69   0.205  -7.054   1.507
  151   3HG2  ILE  69          3HG2      ILE  69   0.204  -5.413   2.153
  152   1HD1  ILE  69          3HD1      ILE  69   1.774  -8.373   0.958
  153   2HD1  ILE  69          1HD1      ILE  69   0.535  -8.205  -0.287
  154   3HD1  ILE  69          2HD1      ILE  69   2.120  -8.860  -0.702
  155    H    CYS  70           H        CYS  70   0.333  -2.634  -0.247
  156    HA   CYS  70           HA       CYS  70   0.329  -1.177   2.287
  157   1HB   CYS  70          2HB       CYS  70  -1.297  -1.051  -0.257
  158   2HB   CYS  70          3HB       CYS  70  -1.471   0.098   1.067
  159    H    PHE  71           H        PHE  71  -1.300  -1.224   3.861
  160    HA   PHE  71           HA       PHE  71  -3.224  -3.501   3.674
  161   1HB   PHE  71          2HB       PHE  71  -1.827  -1.964   5.838
  162   2HB   PHE  71          3HB       PHE  71  -3.359  -2.758   6.224
  163    HD1  PHE  71           HD1      PHE  71  -0.351  -3.621   4.138
  164    HD2  PHE  71           HD2      PHE  71  -3.078  -4.836   7.226
  165    HE1  PHE  71           HE1      PHE  71   0.821  -5.800   4.316
  166    HE2  PHE  71           HE2      PHE  71  -1.907  -7.015   7.405
  167    HZ   PHE  71           HZ       PHE  71   0.043  -7.496   5.949
  168    H    CYS  72           H        CYS  72  -4.731  -2.269   2.299
  169    HA   CYS  72           HA       CYS  72  -5.817   0.286   2.968
  170   1HB   CYS  72          2HB       CYS  72  -7.191  -2.038   1.587
  171   2HB   CYS  72          3HB       CYS  72  -7.510  -0.319   1.343
  172    H    LEU  73           H        LEU  73  -8.401   0.310   3.401
  173    HA   LEU  73           HA       LEU  73  -8.769  -1.132   5.990
  174   1HB   LEU  73          2HB       LEU  73 -10.421   1.121   4.827
  175   2HB   LEU  73          3HB       LEU  73 -10.239   0.673   6.522
  176    HG   LEU  73           HG       LEU  73  -7.974   1.696   4.788
  177   1HD1  LEU  73          1HD1      LEU  73  -9.736   3.122   6.804
  178   2HD1  LEU  73          2HD1      LEU  73  -8.233   3.785   6.160
  179   3HD1  LEU  73          3HD1      LEU  73  -9.596   3.482   5.083
  180   1HD2  LEU  73          1HD2      LEU  73  -7.524   0.205   6.841
  181   2HD2  LEU  73          2HD2      LEU  73  -6.705   1.766   6.803
  182   3HD2  LEU  73          3HD2      LEU  73  -8.141   1.547   7.804
  183    HA   PRO  74           HA       PRO  74 -12.151  -3.589   4.675
  184   1HB   PRO  74          2HB       PRO  74 -14.157  -2.114   6.273
  185   2HB   PRO  74          3HB       PRO  74 -13.624  -3.801   6.419
  186   1HG   PRO  74          2HG       PRO  74 -12.954  -1.902   8.208
  187   2HG   PRO  74          3HG       PRO  74 -11.910  -3.279   7.828
  188   1HD   PRO  74          2HD       PRO  74 -11.656  -0.436   7.006
  189   2HD   PRO  74          3HD       PRO  74 -10.392  -1.644   7.330
  190    H    ALA  75           H        ALA  75 -12.293  -0.194   4.301
  191    HA   ALA  75           HA       ALA  75 -14.765  -0.080   2.740
  192   1HB   ALA  75          1HB       ALA  75 -12.458   1.779   3.349
  193   2HB   ALA  75          2HB       ALA  75 -13.783   2.256   2.287
  194   3HB   ALA  75          3HB       ALA  75 -14.106   1.855   3.975
  195    H    PHE  76           H        PHE  76 -11.316  -0.456   2.081
  196    HA   PHE  76           HA       PHE  76 -11.952  -0.583  -0.841
  197   1HB   PHE  76          2HB       PHE  76  -9.276   0.102   0.388
  198   2HB   PHE  76          3HB       PHE  76  -9.843   0.445  -1.249
  199    HD1  PHE  76           HD1      PHE  76 -10.294   1.321   2.336
  200    HD2  PHE  76           HD2      PHE  76 -11.129   2.399  -1.737
  201    HE1  PHE  76           HE1      PHE  76 -11.150   3.521   3.095
  202    HE2  PHE  76           HE2      PHE  76 -11.985   4.600  -0.979
  203    HZ   PHE  76           HZ       PHE  76 -11.996   5.161   1.438
  204    H    GLU  77           H        GLU  77  -9.751  -1.767  -1.832
  205    HA   GLU  77           HA       GLU  77  -8.840  -4.041  -0.231
  206   1HB   GLU  77          2HB       GLU  77 -11.210  -4.144  -1.993
  207   2HB   GLU  77          3HB       GLU  77 -10.050  -5.446  -2.256
  208   1HG   GLU  77          2HG       GLU  77 -10.064  -5.688   0.331
  209   2HG   GLU  77          3HG       GLU  77 -11.558  -4.753   0.259
  210    H    GLY  78           H        GLY  78  -7.061  -5.063  -1.247
  211   1HA   GLY  78          2HA       GLY  78  -5.958  -5.608  -3.458
  212   2HA   GLY  78          3HA       GLY  78  -6.294  -3.937  -3.912
  213    H    ARG  79           H        ARG  79  -3.672  -5.012  -3.911
  214    HA   ARG  79           HA       ARG  79  -2.213  -4.421  -1.497
  215   1HB   ARG  79          2HB       ARG  79  -1.202  -4.311  -4.349
  216   2HB   ARG  79          3HB       ARG  79  -0.311  -4.787  -2.904
  217   1HG   ARG  79          2HG       ARG  79  -2.497  -6.506  -2.917
  218   2HG   ARG  79          3HG       ARG  79  -2.047  -6.392  -4.618
  219   1HD   ARG  79          2HD       ARG  79   0.192  -7.129  -4.176
  220   2HD   ARG  79          3HD       ARG  79  -0.023  -6.934  -2.425
  221    HE   ARG  79           HE       ARG  79  -1.943  -8.753  -3.713
  222   1HH1  ARG  79          1HH2      ARG  79  -1.486  -9.145  -0.899
  223   2HH1  ARG  79          2HH2      ARG  79  -0.308 -10.413  -0.826
  224   1HH2  ARG  79          1HH1      ARG  79   0.676 -10.047  -4.131
  225   2HH2  ARG  79          2HH1      ARG  79   0.916 -10.923  -2.657
  226    H    ASN  80           H        ASN  80  -3.806  -2.364  -3.652
  227    HA   ASN  80           HA       ASN  80  -2.205  -0.034  -2.672
  228   1HB   ASN  80          2HB       ASN  80  -3.225  -0.419  -5.503
  229   2HB   ASN  80          3HB       ASN  80  -2.155   0.858  -4.924
  230   1HD2  ASN  80          1HD2      ASN  80   0.766  -1.144  -5.098
  231   2HD2  ASN  80          2HD2      ASN  80   0.096   0.350  -4.618
  232    H    CYS  81           H        CYS  81  -4.974  -1.337  -2.163
  233    HA   CYS  81           HA       CYS  81  -7.168  -0.563  -1.741
  234   1HB   CYS  81          2HB       CYS  81  -5.869   2.163  -2.001
  235   2HB   CYS  81          3HB       CYS  81  -7.243   1.716  -0.989
  236    H    GLU  82           H        GLU  82  -5.911  -0.587  -4.631
  237    HA   GLU  82           HA       GLU  82  -7.237   1.447  -6.162
  238   1HB   GLU  82          2HB       GLU  82  -5.413   0.275  -7.126
  239   2HB   GLU  82          3HB       GLU  82  -6.096  -1.299  -6.703
  240   1HG   GLU  82          2HG       GLU  82  -7.855  -1.050  -8.342
  241   2HG   GLU  82          3HG       GLU  82  -7.388   0.620  -8.662
  242    H    THR  83           H        THR  83  -8.374  -1.500  -4.699
  243    HA   THR  83           HA       THR  83 -10.821  -1.546  -6.393
  244    HB   THR  83           HB       THR  83 -10.213  -3.388  -4.094
  245    HG1  THR  83           HG1      THR  83  -8.655  -4.350  -5.182
  246   1HG2  THR  83          3HG2      THR  83 -12.171  -3.268  -6.060
  247   2HG2  THR  83          1HG2      THR  83 -11.048  -4.485  -6.669
  248   3HG2  THR  83          2HG2      THR  83 -11.781  -4.679  -5.077
  249    H    HIS  84           H        HIS  84 -11.355   0.657  -5.304
  250    HA   HIS  84           HA       HIS  84 -12.068   0.771  -2.517
  251   1HB   HIS  84          2HB       HIS  84 -11.634   2.772  -3.777
  252   2HB   HIS  84          3HB       HIS  84 -12.836   2.340  -4.992
  253    HD1  HIS  84           HD1      HIS  84 -14.468   4.261  -4.649
  254    HD2  HIS  84           HD2      HIS  84 -13.575   2.266  -1.099
  255    HE1  HIS  84           HE1      HIS  84 -16.067   5.157  -2.901
  256    H    LYS  85           H        LYS  85 -13.634  -0.575  -1.687
  257    HA   LYS  85           HA       LYS  85 -15.703  -1.861  -3.161
  258   1HB   LYS  85          2HB       LYS  85 -15.558  -1.065  -0.233
  259   2HB   LYS  85          3HB       LYS  85 -16.597  -2.326  -0.904
  260   1HG   LYS  85          2HG       LYS  85 -14.792  -3.739  -1.386
  261   2HG   LYS  85          3HG       LYS  85 -13.626  -2.416  -1.372
  262   1HD   LYS  85          2HD       LYS  85 -13.223  -2.729   0.819
  263   2HD   LYS  85          3HD       LYS  85 -14.941  -2.582   1.192
  264   1HE   LYS  85          2HE       LYS  85 -14.614  -5.118  -0.045
  265   2HE   LYS  85          3HE       LYS  85 -13.327  -4.968   1.168
  266   1HZ   LYS  85          1HZ       LYS  85 -16.157  -4.236   1.680
  267   2HZ   LYS  85          2HZ       LYS  85 -15.502  -5.753   2.075
  268   3HZ   LYS  85          3HZ       LYS  85 -14.901  -4.351   2.817
   
  No H/Q in entry =         268
  Start of MODEL   16
    1   1H    SER  45          3H        SER  45  19.954   3.848   0.981
    2   2H    SER  45          2H        SER  45  20.541   4.385   2.479
    3   3H    SER  45          1H        SER  45  19.654   2.939   2.384
    4    HA   SER  45           HA       SER  45  17.662   3.983   2.347
    5   1HB   SER  45          2HB       SER  45  19.739   5.805   3.540
    6   2HB   SER  45          3HB       SER  45  18.044   6.286   3.550
    7    HG   SER  45           HG       SER  45  18.674   3.689   4.350
    8    H    ASP  46           H        ASP  46  18.440   4.156  -0.280
    9    HA   ASP  46           HA       ASP  46  17.686   6.967  -1.013
   10   1HB   ASP  46          2HB       ASP  46  19.313   6.837  -2.817
   11   2HB   ASP  46          3HB       ASP  46  20.124   6.400  -1.312
   12    H    GLY  47           H        GLY  47  16.119   4.382  -0.762
   13   1HA   GLY  47          2HA       GLY  47  14.843   4.540  -3.422
   14   2HA   GLY  47          3HA       GLY  47  15.448   2.953  -2.941
   15    H    ASP  48           H        ASP  48  14.538   2.002  -0.959
   16    HA   ASP  48           HA       ASP  48  12.729   1.410   0.404
   17   1HB   ASP  48          2HB       ASP  48  12.730   4.393   0.255
   18   2HB   ASP  48          3HB       ASP  48  11.362   3.584   1.023
   19    H    GLN  49           H        GLN  49  11.152   0.288  -0.497
   20    HA   GLN  49           HA       GLN  49   9.847   0.705  -2.941
   21   1HB   GLN  49          2HB       GLN  49   9.196  -0.719  -0.386
   22   2HB   GLN  49          3HB       GLN  49   8.044  -0.745  -1.721
   23   1HG   GLN  49          2HG       GLN  49   9.750  -2.667  -1.622
   24   2HG   GLN  49          3HG       GLN  49   9.582  -1.834  -3.164
   25   1HE2  GLN  49          1HE2      GLN  49  12.892  -0.573  -3.138
   26   2HE2  GLN  49          2HE2      GLN  49  11.388  -0.608  -3.943
   27    H    CYS  50           H        CYS  50   8.793   1.720   0.317
   28    HA   CYS  50           HA       CYS  50   6.381   3.031  -0.704
   29   1HB   CYS  50          2HB       CYS  50   7.023   1.905   1.620
   30   2HB   CYS  50          3HB       CYS  50   7.578   3.535   1.998
   31    H    ALA  51           H        ALA  51   7.772   4.392  -2.279
   32    HA   ALA  51           HA       ALA  51   9.118   6.695  -0.947
   33   1HB   ALA  51          1HB       ALA  51   9.053   5.480  -3.706
   34   2HB   ALA  51          2HB       ALA  51   9.684   7.109  -3.461
   35   3HB   ALA  51          3HB       ALA  51  10.441   5.738  -2.650
   36    H    SER  52           H        SER  52   6.292   5.851  -2.861
   37    HA   SER  52           HA       SER  52   5.444   8.731  -2.777
   38   1HB   SER  52          2HB       SER  52   4.373   6.869  -4.840
   39   2HB   SER  52          3HB       SER  52   4.816   8.567  -4.986
   40    HG   SER  52           HG       SER  52   6.526   6.305  -4.879
   41    H    SER  53           H        SER  53   4.927   6.087  -1.116
   42    HA   SER  53           HA       SER  53   3.088   5.324   0.164
   43   1HB   SER  53          2HB       SER  53   2.722   7.990  -0.280
   44   2HB   SER  53          3HB       SER  53   1.267   7.338  -1.028
   45    HG   SER  53           HG       SER  53   2.179   6.628   1.564
   46    HA   PRO  54           HA       PRO  54   1.611   3.116  -3.576
   47   1HB   PRO  54          2HB       PRO  54   1.521   0.679  -2.253
   48   2HB   PRO  54          3HB       PRO  54   2.935   1.290  -3.138
   49   1HG   PRO  54          2HG       PRO  54   2.393   1.261  -0.222
   50   2HG   PRO  54          3HG       PRO  54   3.923   1.078  -1.091
   51   1HD   PRO  54          2HD       PRO  54   3.185   3.367   0.187
   52   2HD   PRO  54          3HD       PRO  54   4.271   3.335  -1.220
   53    H    CYS  55           H        CYS  55   0.560   2.126  -0.289
   54    HA   CYS  55           HA       CYS  55  -2.123   1.481  -0.976
   55   1HB   CYS  55          2HB       CYS  55  -0.500   1.369   1.220
   56   2HB   CYS  55          3HB       CYS  55  -1.599   2.669   1.685
   57    H    GLN  56           H        GLN  56  -4.044   2.730  -0.864
   58    HA   GLN  56           HA       GLN  56  -3.742   5.677  -0.505
   59   1HB   GLN  56          2HB       GLN  56  -5.083   4.162  -2.767
   60   2HB   GLN  56          3HB       GLN  56  -5.190   5.909  -2.544
   61   1HG   GLN  56          2HG       GLN  56  -2.824   6.177  -2.850
   62   2HG   GLN  56          3HG       GLN  56  -2.559   4.433  -2.780
   63   1HE2  GLN  56          1HE2      GLN  56  -3.853   3.886  -6.119
   64   2HE2  GLN  56          2HE2      GLN  56  -3.772   3.154  -4.579
   65    H    ASN  57           H        ASN  57  -6.137   6.625  -0.617
   66    HA   ASN  57           HA       ASN  57  -8.260   6.721   0.418
   67   1HB   ASN  57          2HB       ASN  57  -8.267   3.709   0.306
   68   2HB   ASN  57          3HB       ASN  57  -9.592   4.829  -0.005
   69   1HD2  ASN  57          1HD2      ASN  57  -8.797   5.205  -3.441
   70   2HD2  ASN  57          2HD2      ASN  57  -9.818   5.671  -2.154
   71    H    GLY  58           H        GLY  58  -5.960   6.645   2.145
   72   1HA   GLY  58          2HA       GLY  58  -5.664   6.553   4.486
   73   2HA   GLY  58          3HA       GLY  58  -7.261   5.816   4.617
   74    H    GLY  59           H        GLY  59  -5.293   4.237   2.332
   75   1HA   GLY  59          2HA       GLY  59  -5.129   1.877   4.056
   76   2HA   GLY  59          3HA       GLY  59  -4.584   1.976   2.378
   77    H    SER  60           H        SER  60  -3.214   0.992   4.914
   78    HA   SER  60           HA       SER  60  -1.016   2.896   5.338
   79   1HB   SER  60          2HB       SER  60  -1.988   1.433   7.103
   80   2HB   SER  60          3HB       SER  60  -1.432   0.018   6.212
   81    HG   SER  60           HG       SER  60   0.244   2.128   7.113
   82    H    CYS  61           H        CYS  61   1.287   2.049   5.083
   83    HA   CYS  61           HA       CYS  61   1.540   0.375   2.603
   84   1HB   CYS  61          2HB       CYS  61   1.988   2.651   2.033
   85   2HB   CYS  61          3HB       CYS  61   2.900   2.920   3.518
   86    H    LYS  62           H        LYS  62   2.855  -1.410   2.892
   87    HA   LYS  62           HA       LYS  62   4.581  -1.460   5.345
   88   1HB   LYS  62          2HB       LYS  62   2.562  -3.035   4.946
   89   2HB   LYS  62          3HB       LYS  62   3.592  -3.821   3.753
   90   1HG   LYS  62          2HG       LYS  62   4.720  -4.908   5.366
   91   2HG   LYS  62          3HG       LYS  62   5.074  -3.389   6.191
   92   1HD   LYS  62          2HD       LYS  62   3.050  -3.470   7.435
   93   2HD   LYS  62          3HD       LYS  62   2.379  -4.735   6.406
   94   1HE   LYS  62          2HE       LYS  62   4.888  -5.653   7.486
   95   2HE   LYS  62          3HE       LYS  62   3.847  -5.092   8.810
   96   1HZ   LYS  62          1HZ       LYS  62   2.861  -6.798   6.593
   97   2HZ   LYS  62          2HZ       LYS  62   3.439  -7.441   8.052
   98   3HZ   LYS  62          3HZ       LYS  62   2.073  -6.432   8.054
   99    H    ASP  63           H        ASP  63   6.753  -2.064   5.101
  100    HA   ASP  63           HA       ASP  63   7.726  -2.318   2.275
  101   1HB   ASP  63          2HB       ASP  63   8.588  -0.888   4.723
  102   2HB   ASP  63          3HB       ASP  63   9.893  -1.627   3.792
  103    H    GLN  64           H        GLN  64   8.300  -4.406   1.809
  104    HA   GLN  64           HA       GLN  64   9.646  -5.988   3.970
  105   1HB   GLN  64          2HB       GLN  64   8.292  -7.710   2.105
  106   2HB   GLN  64          3HB       GLN  64   8.018  -7.543   3.832
  107   1HG   GLN  64          2HG       GLN  64   6.327  -5.923   3.529
  108   2HG   GLN  64          3HG       GLN  64   6.839  -5.559   1.885
  109   1HE2  GLN  64          1HE2      GLN  64   4.364  -8.732   2.574
  110   2HE2  GLN  64          2HE2      GLN  64   5.067  -7.886   3.878
  111    H    LEU  65           H        LEU  65  11.199  -7.553   3.197
  112    HA   LEU  65           HA       LEU  65  13.092  -6.744   1.371
  113   1HB   LEU  65          2HB       LEU  65  12.211  -9.251   2.612
  114   2HB   LEU  65          3HB       LEU  65  13.127  -9.488   1.123
  115    HG   LEU  65           HG       LEU  65  14.973  -8.172   1.977
  116   1HD1  LEU  65          3HD1      LEU  65  13.439  -6.580   3.241
  117   2HD1  LEU  65          1HD1      LEU  65  13.383  -7.788   4.524
  118   3HD1  LEU  65          2HD1      LEU  65  14.917  -7.036   4.089
  119   1HD2  LEU  65          3HD2      LEU  65  13.859 -10.404   3.603
  120   2HD2  LEU  65          1HD2      LEU  65  15.409 -10.285   2.768
  121   3HD2  LEU  65          2HD2      LEU  65  15.183  -9.488   4.325
  122    H    GLN  66           H        GLN  66  11.417  -9.614   0.349
  123    HA   GLN  66           HA       GLN  66  11.688  -9.544  -2.349
  124   1HB   GLN  66          2HB       GLN  66   9.073 -10.098  -0.914
  125   2HB   GLN  66          3HB       GLN  66   9.587 -10.788  -2.454
  126   1HG   GLN  66          2HG       GLN  66  11.670 -11.610  -1.110
  127   2HG   GLN  66          3HG       GLN  66  10.654 -11.335   0.305
  128   1HE2  GLN  66          1HE2      GLN  66  10.036 -14.840  -0.753
  129   2HE2  GLN  66          2HE2      GLN  66  11.348 -13.962  -0.132
  130    H    SER  67           H        SER  67   9.543  -7.417  -0.522
  131    HA   SER  67           HA       SER  67   9.453  -5.355  -2.449
  132   1HB   SER  67          2HB       SER  67   8.220  -6.353  -4.073
  133   2HB   SER  67          3HB       SER  67   7.825  -7.713  -3.025
  134    HG   SER  67           HG       SER  67   5.914  -6.827  -3.017
  135    H    TYR  68           H        TYR  68   7.043  -4.198  -2.164
  136    HA   TYR  68           HA       TYR  68   6.650  -4.067   0.804
  137   1HB   TYR  68          2HB       TYR  68   6.038  -1.752   0.387
  138   2HB   TYR  68          3HB       TYR  68   7.545  -2.088  -0.470
  139    HD1  TYR  68           HD1      TYR  68   7.545  -2.433  -2.929
  140    HD2  TYR  68           HD2      TYR  68   3.981  -1.322  -0.802
  141    HE1  TYR  68           HE1      TYR  68   6.466  -1.793  -5.069
  142    HE2  TYR  68           HE2      TYR  68   2.904  -0.684  -2.942
  143    HH   TYR  68           HH       TYR  68   3.071  -0.988  -5.246
  144    H    ILE  69           H        ILE  69   4.444  -3.964   1.590
  145    HA   ILE  69           HA       ILE  69   2.343  -4.649  -0.428
  146    HB   ILE  69           HB       ILE  69   3.257  -6.648   0.688
  147   1HG1  ILE  69          2HG1      ILE  69   0.553  -6.060   1.890
  148   2HG1  ILE  69          3HG1      ILE  69   0.759  -6.330   0.157
  149   1HG2  ILE  69          3HG2      ILE  69   3.954  -5.400   2.765
  150   2HG2  ILE  69          1HG2      ILE  69   2.259  -5.389   3.254
  151   3HG2  ILE  69          2HG2      ILE  69   3.118  -6.919   3.082
  152   1HD1  ILE  69          1HD1      ILE  69   2.207  -8.321   1.653
  153   2HD1  ILE  69          2HD1      ILE  69   0.518  -8.294   2.162
  154   3HD1  ILE  69          3HD1      ILE  69   0.924  -8.548   0.464
  155    H    CYS  70           H        CYS  70   0.748  -3.146  -0.258
  156    HA   CYS  70           HA       CYS  70   0.482  -1.418   2.060
  157   1HB   CYS  70          2HB       CYS  70  -0.130  -0.193   0.269
  158   2HB   CYS  70          3HB       CYS  70  -0.278  -1.632  -0.700
  159    H    PHE  71           H        PHE  71  -1.797  -1.114   2.962
  160    HA   PHE  71           HA       PHE  71  -3.427  -3.592   3.105
  161   1HB   PHE  71          2HB       PHE  71  -1.821  -2.303   5.304
  162   2HB   PHE  71          3HB       PHE  71  -3.303  -3.181   5.700
  163    HD1  PHE  71           HD1      PHE  71  -3.544  -5.565   4.619
  164    HD2  PHE  71           HD2      PHE  71   0.185  -3.487   5.095
  165    HE1  PHE  71           HE1      PHE  71  -2.322  -7.715   4.435
  166    HE2  PHE  71           HE2      PHE  71   1.408  -5.637   4.910
  167    HZ   PHE  71           HZ       PHE  71   0.154  -7.751   4.580
  168    H    CYS  72           H        CYS  72  -5.214  -2.465   2.231
  169    HA   CYS  72           HA       CYS  72  -5.995   0.191   3.094
  170   1HB   CYS  72          2HB       CYS  72  -7.621  -1.959   1.717
  171   2HB   CYS  72          3HB       CYS  72  -7.863  -0.213   1.616
  172    H    LEU  73           H        LEU  73  -8.758  -0.106   3.427
  173    HA   LEU  73           HA       LEU  73  -8.937  -1.494   6.083
  174   1HB   LEU  73          2HB       LEU  73 -10.590   0.867   5.169
  175   2HB   LEU  73          3HB       LEU  73 -10.239   0.352   6.817
  176    HG   LEU  73           HG       LEU  73  -7.713   0.787   5.824
  177   1HD1  LEU  73          3HD1      LEU  73  -8.772   1.741   3.744
  178   2HD1  LEU  73          1HD1      LEU  73  -9.485   3.004   4.749
  179   3HD1  LEU  73          2HD1      LEU  73  -7.732   2.879   4.600
  180   1HD2  LEU  73          3HD2      LEU  73  -9.599   2.706   7.234
  181   2HD2  LEU  73          1HD2      LEU  73  -8.497   1.558   7.995
  182   3HD2  LEU  73          2HD2      LEU  73  -7.856   2.946   7.115
  183    HA   PRO  74           HA       PRO  74 -12.583  -3.640   4.898
  184   1HB   PRO  74          2HB       PRO  74 -14.460  -1.983   6.472
  185   2HB   PRO  74          3HB       PRO  74 -14.053  -3.701   6.655
  186   1HG   PRO  74          2HG       PRO  74 -13.233  -1.823   8.399
  187   2HG   PRO  74          3HG       PRO  74 -12.288  -3.274   8.035
  188   1HD   PRO  74          2HD       PRO  74 -11.864  -0.472   7.139
  189   2HD   PRO  74          3HD       PRO  74 -10.672  -1.741   7.505
  190    H    ALA  75           H        ALA  75 -12.441  -0.266   4.395
  191    HA   ALA  75           HA       ALA  75 -14.919  -0.087   2.806
  192   1HB   ALA  75          1HB       ALA  75 -12.638   1.746   3.562
  193   2HB   ALA  75          2HB       ALA  75 -13.875   2.248   2.408
  194   3HB   ALA  75          3HB       ALA  75 -14.326   1.841   4.064
  195    H    PHE  76           H        PHE  76 -11.423  -0.322   2.267
  196    HA   PHE  76           HA       PHE  76 -11.962  -0.546  -0.671
  197   1HB   PHE  76          2HB       PHE  76  -9.366   0.298   0.638
  198   2HB   PHE  76          3HB       PHE  76  -9.882   0.569  -1.029
  199    HD1  PHE  76           HD1      PHE  76 -10.718   1.427   2.513
  200    HD2  PHE  76           HD2      PHE  76 -11.049   2.535  -1.626
  201    HE1  PHE  76           HE1      PHE  76 -11.718   3.598   3.173
  202    HE2  PHE  76           HE2      PHE  76 -12.051   4.704  -0.964
  203    HZ   PHE  76           HZ       PHE  76 -12.384   5.235   1.436
  204    H    GLU  77           H        GLU  77  -9.954  -1.821  -1.703
  205    HA   GLU  77           HA       GLU  77  -8.685  -3.835  -0.033
  206   1HB   GLU  77          2HB       GLU  77 -11.007  -4.612   0.053
  207   2HB   GLU  77          3HB       GLU  77 -11.108  -4.569  -1.707
  208   1HG   GLU  77          2HG       GLU  77  -9.303  -6.261  -1.842
  209   2HG   GLU  77          3HG       GLU  77  -9.248  -6.328  -0.081
  210    H    GLY  78           H        GLY  78  -6.773  -3.697  -1.187
  211   1HA   GLY  78          2HA       GLY  78  -6.432  -5.016  -3.656
  212   2HA   GLY  78          3HA       GLY  78  -6.608  -3.298  -4.023
  213    H    ARG  79           H        ARG  79  -4.206  -4.453  -4.633
  214    HA   ARG  79           HA       ARG  79  -2.194  -4.530  -2.647
  215   1HB   ARG  79          2HB       ARG  79  -2.110  -3.600  -5.536
  216   2HB   ARG  79          3HB       ARG  79  -0.697  -4.069  -4.589
  217   1HG   ARG  79          2HG       ARG  79  -3.067  -5.897  -5.051
  218   2HG   ARG  79          3HG       ARG  79  -1.626  -5.902  -6.069
  219   1HD   ARG  79          2HD       ARG  79  -0.242  -6.679  -4.318
  220   2HD   ARG  79          3HD       ARG  79  -1.405  -6.198  -3.068
  221    HE   ARG  79           HE       ARG  79  -1.768  -8.503  -4.932
  222   1HH1  ARG  79          1HH1      ARG  79  -3.273  -6.419  -2.704
  223   2HH1  ARG  79          2HH1      ARG  79  -4.102  -7.677  -1.850
  224   1HH2  ARG  79          1HH2      ARG  79  -2.567 -10.243  -3.608
  225   2HH2  ARG  79          2HH2      ARG  79  -3.702  -9.843  -2.362
  226    H    ASN  80           H        ASN  80  -3.990  -1.836  -3.823
  227    HA   ASN  80           HA       ASN  80  -2.398   0.000  -2.121
  228   1HB   ASN  80          2HB       ASN  80  -2.735   0.172  -5.130
  229   2HB   ASN  80          3HB       ASN  80  -2.292   1.574  -4.154
  230   1HD2  ASN  80          1HD2      ASN  80   0.439  -1.447  -4.678
  231   2HD2  ASN  80          2HD2      ASN  80  -1.204  -1.726  -5.037
  232    H    CYS  81           H        CYS  81  -5.190  -1.132  -2.222
  233    HA   CYS  81           HA       CYS  81  -7.382  -0.326  -1.825
  234   1HB   CYS  81          2HB       CYS  81  -6.010   2.376  -1.788
  235   2HB   CYS  81          3HB       CYS  81  -7.500   1.924  -0.960
  236    H    GLU  82           H        GLU  82  -5.804  -0.059  -4.583
  237    HA   GLU  82           HA       GLU  82  -7.076   2.045  -6.056
  238   1HB   GLU  82          2HB       GLU  82  -5.170   1.155  -7.046
  239   2HB   GLU  82          3HB       GLU  82  -5.588  -0.502  -6.601
  240   1HG   GLU  82          2HG       GLU  82  -7.437  -0.436  -8.287
  241   2HG   GLU  82          3HG       GLU  82  -6.884   1.165  -8.782
  242    H    THR  83           H        THR  83  -8.394  -0.791  -4.724
  243    HA   THR  83           HA       THR  83 -10.621  -0.801  -6.734
  244    HB   THR  83           HB       THR  83  -9.376  -2.890  -4.940
  245    HG1  THR  83           HG1      THR  83  -8.536  -3.395  -6.774
  246   1HG2  THR  83          1HG2      THR  83 -12.153  -2.694  -5.927
  247   2HG2  THR  83          2HG2      THR  83 -11.351  -4.228  -6.269
  248   3HG2  THR  83          3HG2      THR  83 -11.492  -3.656  -4.606
  249    H    HIS  84           H        HIS  84 -11.325   1.154  -5.313
  250    HA   HIS  84           HA       HIS  84 -12.139   0.915  -2.611
  251   1HB   HIS  84          2HB       HIS  84 -12.081   3.044  -3.694
  252   2HB   HIS  84          3HB       HIS  84 -13.142   2.492  -4.992
  253    HD1  HIS  84           HD1      HIS  84 -15.107   4.058  -4.597
  254    HD2  HIS  84           HD2      HIS  84 -13.992   1.990  -1.154
  255    HE1  HIS  84           HE1      HIS  84 -16.905   4.516  -2.873
  256    H    LYS  85           H        LYS  85 -13.727  -0.323  -1.689
  257    HA   LYS  85           HA       LYS  85 -15.367  -2.141  -3.160
  258   1HB   LYS  85          2HB       LYS  85 -15.640  -0.969  -0.370
  259   2HB   LYS  85          3HB       LYS  85 -16.455  -2.429  -0.940
  260   1HG   LYS  85          2HG       LYS  85 -14.216  -3.428  -1.435
  261   2HG   LYS  85          3HG       LYS  85 -13.461  -2.005  -0.716
  262   1HD   LYS  85          2HD       LYS  85 -14.227  -2.525   1.436
  263   2HD   LYS  85          3HD       LYS  85 -15.521  -3.560   0.830
  264   1HE   LYS  85          2HE       LYS  85 -13.555  -5.025  -0.117
  265   2HE   LYS  85          3HE       LYS  85 -12.587  -4.175   1.104
  266   1HZ   LYS  85          1HZ       LYS  85 -15.232  -5.222   1.842
  267   2HZ   LYS  85          2HZ       LYS  85 -13.921  -6.301   1.762
  268   3HZ   LYS  85          3HZ       LYS  85 -13.863  -4.974   2.817
   
  No H/Q in entry =         268
  Start of MODEL   17
    1   1H    SER  45          2H        SER  45  10.738  -3.064  -4.894
    2   2H    SER  45          1H        SER  45  11.686  -1.947  -5.756
    3   3H    SER  45          3H        SER  45  10.716  -3.060  -6.593
    4    HA   SER  45           HA       SER  45  12.115  -4.839  -6.164
    5   1HB   SER  45          2HB       SER  45  13.070  -2.396  -7.173
    6   2HB   SER  45          3HB       SER  45  14.351  -2.978  -6.115
    7    HG   SER  45           HG       SER  45  14.707  -3.950  -8.045
    8    H    ASP  46           H        ASP  46  13.912  -2.296  -4.422
    9    HA   ASP  46           HA       ASP  46  13.545  -3.323  -1.778
   10   1HB   ASP  46          2HB       ASP  46  15.796  -4.514  -1.656
   11   2HB   ASP  46          3HB       ASP  46  14.565  -5.336  -2.616
   12    H    GLY  47           H        GLY  47  13.948  -1.394  -0.751
   13   1HA   GLY  47          2HA       GLY  47  16.400  -0.253  -0.276
   14   2HA   GLY  47          3HA       GLY  47  15.914   0.501  -1.794
   15    H    ASP  48           H        ASP  48  13.010   0.222  -0.868
   16    HA   ASP  48           HA       ASP  48  12.561   1.711   1.511
   17   1HB   ASP  48          2HB       ASP  48  13.845   3.167  -0.534
   18   2HB   ASP  48          3HB       ASP  48  12.174   3.731  -0.532
   19    H    GLN  49           H        GLN  49  11.591   1.013  -1.795
   20    HA   GLN  49           HA       GLN  49   9.474   0.761  -2.792
   21   1HB   GLN  49          2HB       GLN  49   9.249  -0.272   0.014
   22   2HB   GLN  49          3HB       GLN  49   7.906  -0.413  -1.113
   23   1HG   GLN  49          2HG       GLN  49   9.017  -2.417  -1.520
   24   2HG   GLN  49          3HG       GLN  49   9.776  -1.370  -2.720
   25   1HE2  GLN  49          1HE2      GLN  49  11.935  -2.421   0.625
   26   2HE2  GLN  49          2HE2      GLN  49  10.231  -2.470   0.684
   27    H    CYS  50           H        CYS  50   8.107   1.429   0.402
   28    HA   CYS  50           HA       CYS  50   6.339   3.462  -0.714
   29   1HB   CYS  50          2HB       CYS  50   6.894   2.709   2.171
   30   2HB   CYS  50          3HB       CYS  50   5.428   3.451   1.532
   31    H    ALA  51           H        ALA  51   8.023   5.019  -1.444
   32    HA   ALA  51           HA       ALA  51   9.446   6.467   0.741
   33   1HB   ALA  51          3HB       ALA  51  10.250   5.580  -1.698
   34   2HB   ALA  51          1HB       ALA  51   9.740   7.213  -2.121
   35   3HB   ALA  51          2HB       ALA  51  10.982   6.968  -0.894
   36    H    SER  52           H        SER  52   6.624   6.647  -1.170
   37    HA   SER  52           HA       SER  52   6.187   9.468  -0.302
   38   1HB   SER  52          2HB       SER  52   6.704  10.038  -2.453
   39   2HB   SER  52          3HB       SER  52   6.532   8.381  -3.024
   40    HG   SER  52           HG       SER  52   4.851  10.363  -3.343
   41    H    SER  53           H        SER  53   5.138   6.551   0.184
   42    HA   SER  53           HA       SER  53   3.037   5.695   0.865
   43   1HB   SER  53          2HB       SER  53   1.749   8.281   0.078
   44   2HB   SER  53          3HB       SER  53   1.485   7.296   1.514
   45    HG   SER  53           HG       SER  53   2.927   8.464   2.480
   46    HA   PRO  54           HA       PRO  54   2.095   5.208  -3.646
   47   1HB   PRO  54          2HB       PRO  54   2.518   2.500  -3.707
   48   2HB   PRO  54          3HB       PRO  54   3.808   3.688  -3.981
   49   1HG   PRO  54          2HG       PRO  54   3.194   2.085  -1.566
   50   2HG   PRO  54          3HG       PRO  54   4.756   2.605  -2.210
   51   1HD   PRO  54          2HD       PRO  54   3.482   3.784  -0.074
   52   2HD   PRO  54          3HD       PRO  54   4.694   4.589  -1.094
   53    H    CYS  55           H        CYS  55   0.836   4.292  -0.679
   54    HA   CYS  55           HA       CYS  55  -1.285   2.501  -1.648
   55   1HB   CYS  55          2HB       CYS  55  -1.229   3.947   0.999
   56   2HB   CYS  55          3HB       CYS  55  -1.831   2.328   0.641
   57    H    GLN  56           H        GLN  56  -3.622   3.142  -1.212
   58    HA   GLN  56           HA       GLN  56  -4.086   6.074  -1.516
   59   1HB   GLN  56          2HB       GLN  56  -5.184   3.802  -3.198
   60   2HB   GLN  56          3HB       GLN  56  -5.722   5.480  -3.318
   61   1HG   GLN  56          2HG       GLN  56  -3.610   6.222  -4.084
   62   2HG   GLN  56          3HG       GLN  56  -2.814   4.728  -3.581
   63   1HE2  GLN  56          1HE2      GLN  56  -3.337   3.217  -6.712
   64   2HE2  GLN  56          2HE2      GLN  56  -2.425   3.304  -5.272
   65    H    ASN  57           H        ASN  57  -6.548   6.498  -1.312
   66    HA   ASN  57           HA       ASN  57  -8.472   6.405   0.056
   67   1HB   ASN  57          2HB       ASN  57  -7.726   3.493  -0.311
   68   2HB   ASN  57          3HB       ASN  57  -9.238   4.010   0.437
   69   1HD2  ASN  57          1HD2      ASN  57  -9.063   3.872  -3.542
   70   2HD2  ASN  57          2HD2      ASN  57  -7.969   3.075  -2.505
   71    H    GLY  58           H        GLY  58  -5.984   6.886   1.415
   72   1HA   GLY  58          2HA       GLY  58  -5.171   6.974   3.613
   73   2HA   GLY  58          3HA       GLY  58  -6.761   6.407   4.121
   74    H    GLY  59           H        GLY  59  -4.857   4.511   1.879
   75   1HA   GLY  59          2HA       GLY  59  -4.797   2.319   3.849
   76   2HA   GLY  59          3HA       GLY  59  -4.313   2.199   2.153
   77    H    SER  60           H        SER  60  -2.915   1.533   4.820
   78    HA   SER  60           HA       SER  60  -0.613   3.351   4.888
   79   1HB   SER  60          2HB       SER  60  -1.804   1.879   6.734
   80   2HB   SER  60          3HB       SER  60  -0.716   0.626   6.147
   81    HG   SER  60           HG       SER  60  -0.203   2.838   7.657
   82    H    CYS  61           H        CYS  61   1.650   2.271   4.751
   83    HA   CYS  61           HA       CYS  61   1.701   0.390   2.413
   84   1HB   CYS  61          2HB       CYS  61   2.494   2.939   2.355
   85   2HB   CYS  61          3HB       CYS  61   3.961   2.244   3.042
   86    H    LYS  62           H        LYS  62   2.804  -1.491   2.750
   87    HA   LYS  62           HA       LYS  62   4.332  -1.789   5.302
   88   1HB   LYS  62          2HB       LYS  62   2.358  -3.265   4.628
   89   2HB   LYS  62          3HB       LYS  62   3.396  -3.914   3.358
   90   1HG   LYS  62          2HG       LYS  62   5.079  -4.166   5.440
   91   2HG   LYS  62          3HG       LYS  62   3.546  -4.299   6.304
   92   1HD   LYS  62          2HD       LYS  62   2.962  -5.940   4.291
   93   2HD   LYS  62          3HD       LYS  62   4.717  -6.107   4.231
   94   1HE   LYS  62          2HE       LYS  62   3.190  -6.388   6.832
   95   2HE   LYS  62          3HE       LYS  62   3.491  -7.771   5.760
   96   1HZ   LYS  62          1HZ       LYS  62   5.576  -5.915   6.786
   97   2HZ   LYS  62          2HZ       LYS  62   5.286  -7.475   7.385
   98   3HZ   LYS  62          3HZ       LYS  62   5.842  -7.268   5.793
   99    H    ASP  63           H        ASP  63   6.513  -2.385   5.248
  100    HA   ASP  63           HA       ASP  63   7.810  -2.373   2.552
  101   1HB   ASP  63          2HB       ASP  63   8.534  -0.608   4.025
  102   2HB   ASP  63          3HB       ASP  63   8.746  -1.738   5.364
  103    H    GLN  64           H        GLN  64   8.621  -4.299   1.840
  104    HA   GLN  64           HA       GLN  64   9.623  -6.277   3.825
  105   1HB   GLN  64          2HB       GLN  64   8.185  -7.683   1.774
  106   2HB   GLN  64          3HB       GLN  64   7.877  -7.673   3.506
  107   1HG   GLN  64          2HG       GLN  64   6.344  -5.870   3.336
  108   2HG   GLN  64          3HG       GLN  64   6.901  -5.438   1.720
  109   1HE2  GLN  64          1HE2      GLN  64   4.306  -8.592   2.164
  110   2HE2  GLN  64          2HE2      GLN  64   5.174  -8.020   3.516
  111    H    LEU  65           H        LEU  65  11.054  -7.872   2.833
  112    HA   LEU  65           HA       LEU  65  12.965  -6.914   1.050
  113   1HB   LEU  65          2HB       LEU  65  13.287  -8.877   2.415
  114   2HB   LEU  65          3HB       LEU  65  11.967  -9.714   1.598
  115    HG   LEU  65           HG       LEU  65  13.276  -9.515  -0.549
  116   1HD1  LEU  65          1HD1      LEU  65  14.991  -7.987   1.256
  117   2HD1  LEU  65          2HD1      LEU  65  15.879  -9.248   0.401
  118   3HD1  LEU  65          3HD1      LEU  65  14.981  -8.032  -0.507
  119   1HD2  LEU  65          3HD2      LEU  65  14.117 -11.091   1.845
  120   2HD2  LEU  65          1HD2      LEU  65  13.489 -11.653   0.296
  121   3HD2  LEU  65          2HD2      LEU  65  15.170 -11.137   0.431
  122    H    GLN  66           H        GLN  66  11.000  -9.601  -0.024
  123    HA   GLN  66           HA       GLN  66  11.226  -9.487  -2.730
  124   1HB   GLN  66          2HB       GLN  66   8.833 -10.307  -2.771
  125   2HB   GLN  66          3HB       GLN  66   9.857 -11.120  -1.588
  126   1HG   GLN  66          2HG       GLN  66   8.996  -9.678   0.193
  127   2HG   GLN  66          3HG       GLN  66   8.021  -8.785  -0.975
  128   1HE2  GLN  66          1HE2      GLN  66   6.839 -12.690  -0.792
  129   2HE2  GLN  66          2HE2      GLN  66   8.441 -12.298  -1.197
  130    H    SER  67           H        SER  67   9.268  -7.246  -0.800
  131    HA   SER  67           HA       SER  67   9.420  -5.076  -2.604
  132   1HB   SER  67          2HB       SER  67   7.774  -7.231  -3.505
  133   2HB   SER  67          3HB       SER  67   6.715  -5.878  -3.121
  134    HG   SER  67           HG       SER  67   8.203  -4.580  -4.395
  135    H    TYR  68           H        TYR  68   6.665  -4.163  -2.373
  136    HA   TYR  68           HA       TYR  68   6.306  -4.068   0.600
  137   1HB   TYR  68          2HB       TYR  68   6.090  -1.662   0.452
  138   2HB   TYR  68          3HB       TYR  68   7.567  -2.117  -0.393
  139    HD1  TYR  68           HD1      TYR  68   7.692  -2.082  -2.842
  140    HD2  TYR  68           HD2      TYR  68   4.138  -0.849  -0.769
  141    HE1  TYR  68           HE1      TYR  68   6.851  -1.018  -4.918
  142    HE2  TYR  68           HE2      TYR  68   3.298   0.219  -2.846
  143    HH   TYR  68           HH       TYR  68   4.313  -0.437  -5.786
  144    H    ILE  69           H        ILE  69   4.136  -3.884   1.266
  145    HA   ILE  69           HA       ILE  69   2.048  -3.832  -0.880
  146    HB   ILE  69           HB       ILE  69   2.652  -5.887   1.229
  147   1HG1  ILE  69          2HG1      ILE  69   1.899  -5.872  -1.702
  148   2HG1  ILE  69          3HG1      ILE  69   3.424  -6.391  -0.982
  149   1HG2  ILE  69          1HG2      ILE  69  -0.068  -5.380  -0.023
  150   2HG2  ILE  69          2HG2      ILE  69   0.361  -6.799   0.932
  151   3HG2  ILE  69          3HG2      ILE  69   0.332  -5.205   1.685
  152   1HD1  ILE  69          3HD1      ILE  69   2.133  -8.188   0.237
  153   2HD1  ILE  69          1HD1      ILE  69   0.728  -7.744  -0.733
  154   3HD1  ILE  69          2HD1      ILE  69   2.175  -8.380  -1.515
  155    H    CYS  70           H        CYS  70   0.495  -2.350  -0.370
  156    HA   CYS  70           HA       CYS  70   0.500  -1.012   2.223
  157   1HB   CYS  70          2HB       CYS  70  -1.230  -0.845  -0.249
  158   2HB   CYS  70          3HB       CYS  70  -1.353   0.261   1.116
  159    H    PHE  71           H        PHE  71  -1.250  -0.978   3.719
  160    HA   PHE  71           HA       PHE  71  -3.076  -3.352   3.568
  161   1HB   PHE  71          2HB       PHE  71  -1.922  -1.731   5.862
  162   2HB   PHE  71          3HB       PHE  71  -3.129  -3.001   6.075
  163    HD1  PHE  71           HD1      PHE  71  -1.484  -4.259   3.393
  164    HD2  PHE  71           HD2      PHE  71  -0.699  -3.369   7.524
  165    HE1  PHE  71           HE1      PHE  71   0.311  -5.966   3.420
  166    HE2  PHE  71           HE2      PHE  71   1.096  -5.078   7.547
  167    HZ   PHE  71           HZ       PHE  71   1.601  -6.376   5.497
  168    H    CYS  72           H        CYS  72  -4.595  -2.061   2.253
  169    HA   CYS  72           HA       CYS  72  -5.677   0.458   2.936
  170   1HB   CYS  72          2HB       CYS  72  -7.094  -1.932   1.720
  171   2HB   CYS  72          3HB       CYS  72  -7.506  -0.233   1.478
  172    H    LEU  73           H        LEU  73  -8.444   0.032   3.244
  173    HA   LEU  73           HA       LEU  73  -8.576  -1.042   6.044
  174   1HB   LEU  73          2HB       LEU  73 -10.408   1.010   4.784
  175   2HB   LEU  73          3HB       LEU  73 -10.092   0.736   6.497
  176    HG   LEU  73           HG       LEU  73  -8.011   1.722   4.524
  177   1HD1  LEU  73          1HD1      LEU  73  -9.727   3.218   6.530
  178   2HD1  LEU  73          2HD1      LEU  73  -8.314   3.906   5.730
  179   3HD1  LEU  73          3HD1      LEU  73  -9.720   3.431   4.778
  180   1HD2  LEU  73          1HD2      LEU  73  -7.325   0.450   6.652
  181   2HD2  LEU  73          2HD2      LEU  73  -6.626   2.056   6.438
  182   3HD2  LEU  73          3HD2      LEU  73  -7.975   1.823   7.549
  183    HA   PRO  74           HA       PRO  74 -11.943  -3.693   5.097
  184   1HB   PRO  74          2HB       PRO  74 -14.002  -2.103   6.495
  185   2HB   PRO  74          3HB       PRO  74 -13.392  -3.727   6.870
  186   1HG   PRO  74          2HG       PRO  74 -12.811  -1.573   8.378
  187   2HG   PRO  74          3HG       PRO  74 -11.703  -2.939   8.182
  188   1HD   PRO  74          2HD       PRO  74 -11.598  -0.231   6.958
  189   2HD   PRO  74          3HD       PRO  74 -10.271  -1.301   7.466
  190    H    ALA  75           H        ALA  75 -12.159  -0.400   4.238
  191    HA   ALA  75           HA       ALA  75 -14.647  -0.620   2.680
  192   1HB   ALA  75          1HB       ALA  75 -12.484   1.475   3.035
  193   2HB   ALA  75          2HB       ALA  75 -13.898   1.719   2.010
  194   3HB   ALA  75          3HB       ALA  75 -14.099   1.473   3.744
  195    H    PHE  76           H        PHE  76 -11.178  -0.878   2.139
  196    HA   PHE  76           HA       PHE  76 -11.708  -1.300  -0.777
  197   1HB   PHE  76          2HB       PHE  76  -9.099  -0.460   0.508
  198   2HB   PHE  76          3HB       PHE  76  -9.573  -0.306  -1.187
  199    HD1  PHE  76           HD1      PHE  76 -10.213   0.955   2.248
  200    HD2  PHE  76           HD2      PHE  76 -10.888   1.546  -1.953
  201    HE1  PHE  76           HE1      PHE  76 -11.144   3.206   2.714
  202    HE2  PHE  76           HE2      PHE  76 -11.818   3.797  -1.486
  203    HZ   PHE  76           HZ       PHE  76 -11.946   4.628   0.847
  204    H    GLU  77           H        GLU  77  -9.740  -2.699  -1.700
  205    HA   GLU  77           HA       GLU  77  -8.919  -4.813   0.231
  206   1HB   GLU  77          2HB       GLU  77 -11.089  -5.505  -0.652
  207   2HB   GLU  77          3HB       GLU  77 -10.541  -5.216  -2.303
  208   1HG   GLU  77          2HG       GLU  77 -10.224  -7.519  -2.104
  209   2HG   GLU  77          3HG       GLU  77  -8.630  -6.902  -1.667
  210    H    GLY  78           H        GLY  78  -8.808  -3.652  -3.147
  211   1HA   GLY  78          2HA       GLY  78  -6.696  -5.103  -4.186
  212   2HA   GLY  78          3HA       GLY  78  -6.924  -3.391  -4.547
  213    H    ARG  79           H        ARG  79  -4.354  -4.566  -4.349
  214    HA   ARG  79           HA       ARG  79  -3.086  -4.338  -1.816
  215   1HB   ARG  79          2HB       ARG  79  -2.409  -5.007  -4.383
  216   2HB   ARG  79          3HB       ARG  79  -1.582  -3.459  -4.209
  217   1HG   ARG  79          2HG       ARG  79  -0.071  -5.209  -3.477
  218   2HG   ARG  79          3HG       ARG  79  -0.593  -4.300  -2.058
  219   1HD   ARG  79          2HD       ARG  79  -0.957  -6.465  -1.287
  220   2HD   ARG  79          3HD       ARG  79  -2.527  -6.171  -2.061
  221    HE   ARG  79           HE       ARG  79  -0.456  -7.199  -3.872
  222   1HH1  ARG  79          1HH2      ARG  79  -2.701  -8.049  -5.026
  223   2HH1  ARG  79          2HH2      ARG  79  -3.206  -9.519  -4.261
  224   1HH2  ARG  79          1HH1      ARG  79  -1.248  -9.031  -1.440
  225   2HH2  ARG  79          2HH1      ARG  79  -2.382 -10.075  -2.230
  226    H    ASN  80           H        ASN  80  -3.621  -1.889  -4.360
  227    HA   ASN  80           HA       ASN  80  -2.519   0.220  -2.567
  228   1HB   ASN  80          2HB       ASN  80  -3.457   0.283  -5.455
  229   2HB   ASN  80          3HB       ASN  80  -2.544   1.548  -4.632
  230   1HD2  ASN  80          1HD2      ASN  80   0.454   0.035  -5.697
  231   2HD2  ASN  80          2HD2      ASN  80  -0.472   1.460  -5.542
  232    H    CYS  81           H        CYS  81  -5.276  -1.192  -2.380
  233    HA   CYS  81           HA       CYS  81  -7.432  -0.496  -1.690
  234   1HB   CYS  81          2HB       CYS  81  -6.364   2.324  -1.910
  235   2HB   CYS  81          3HB       CYS  81  -7.570   1.697  -0.788
  236    H    GLU  82           H        GLU  82  -6.164  -0.113  -4.638
  237    HA   GLU  82           HA       GLU  82  -7.801   1.817  -5.970
  238   1HB   GLU  82          2HB       GLU  82  -5.877   1.012  -7.077
  239   2HB   GLU  82          3HB       GLU  82  -6.282  -0.674  -6.741
  240   1HG   GLU  82          2HG       GLU  82  -8.078  -0.647  -8.337
  241   2HG   GLU  82          3HG       GLU  82  -7.968   1.104  -8.522
  242    H    THR  83           H        THR  83  -8.531  -1.333  -4.711
  243    HA   THR  83           HA       THR  83 -10.949  -1.625  -6.414
  244    HB   THR  83           HB       THR  83 -10.344  -3.496  -4.190
  245    HG1  THR  83           HG1      THR  83  -8.664  -3.276  -6.462
  246   1HG2  THR  83          3HG2      THR  83 -11.882  -3.546  -6.456
  247   2HG2  THR  83          1HG2      THR  83 -10.440  -4.409  -6.989
  248   3HG2  THR  83          2HG2      THR  83 -11.341  -4.982  -5.586
  249    H    HIS  84           H        HIS  84 -12.049   0.284  -5.440
  250    HA   HIS  84           HA       HIS  84 -12.633   0.471  -2.628
  251   1HB   HIS  84          2HB       HIS  84 -12.805   2.397  -4.041
  252   2HB   HIS  84          3HB       HIS  84 -13.876   1.559  -5.165
  253    HD1  HIS  84           HD1      HIS  84 -15.764   3.332  -4.804
  254    HD2  HIS  84           HD2      HIS  84 -14.667   1.291  -1.339
  255    HE1  HIS  84           HE1      HIS  84 -17.554   3.829  -3.083
  256    H    LYS  85           H        LYS  85 -13.582  -1.378  -1.729
  257    HA   LYS  85           HA       LYS  85 -15.334  -3.228  -2.835
  258   1HB   LYS  85          2HB       LYS  85 -15.319  -1.968  -0.073
  259   2HB   LYS  85          3HB       LYS  85 -16.146  -3.477  -0.472
  260   1HG   LYS  85          2HG       LYS  85 -14.085  -4.569  -1.013
  261   2HG   LYS  85          3HG       LYS  85 -13.193  -3.048  -0.976
  262   1HD   LYS  85          2HD       LYS  85 -12.721  -3.491   1.183
  263   2HD   LYS  85          3HD       LYS  85 -14.425  -3.196   1.531
  264   1HE   LYS  85          2HE       LYS  85 -14.898  -5.612   1.028
  265   2HE   LYS  85          3HE       LYS  85 -13.150  -5.872   0.866
  266   1HZ   LYS  85          3HZ       LYS  85 -13.022  -4.668   3.108
  267   2HZ   LYS  85          1HZ       LYS  85 -14.676  -5.028   3.250
  268   3HZ   LYS  85          2HZ       LYS  85 -13.541  -6.283   3.106
   
  No H/Q in entry =         268
  Start of MODEL   18
    1   1H    SER  45          1H        SER  45   9.365   8.852  -4.304
    2   2H    SER  45          3H        SER  45   8.118   8.369  -5.348
    3   3H    SER  45          2H        SER  45   9.062   7.199  -4.555
    4    HA   SER  45           HA       SER  45   9.848   7.291  -6.788
    5   1HB   SER  45          2HB       SER  45   9.997   9.312  -7.939
    6   2HB   SER  45          3HB       SER  45   8.699   9.684  -6.809
    7    HG   SER  45           HG       SER  45  10.104  11.313  -6.531
    8    H    ASP  46           H        ASP  46  11.921   6.525  -6.722
    9    HA   ASP  46           HA       ASP  46  14.217   6.362  -6.169
   10   1HB   ASP  46          2HB       ASP  46  13.479   9.138  -6.280
   11   2HB   ASP  46          3HB       ASP  46  14.642   8.914  -4.973
   12    H    GLY  47           H        GLY  47  12.909   5.005  -4.380
   13   1HA   GLY  47          2HA       GLY  47  14.223   5.587  -1.842
   14   2HA   GLY  47          3HA       GLY  47  12.470   5.772  -1.771
   15    H    ASP  48           H        ASP  48  11.189   3.848  -2.565
   16    HA   ASP  48           HA       ASP  48  12.247   1.260  -2.975
   17   1HB   ASP  48          2HB       ASP  48  12.462   2.325  -0.261
   18   2HB   ASP  48          3HB       ASP  48  11.581   0.797  -0.302
   19    H    GLN  49           H        GLN  49   9.993   1.771  -0.313
   20    HA   GLN  49           HA       GLN  49   7.712   1.157  -2.154
   21   1HB   GLN  49          2HB       GLN  49   8.101   0.025   0.613
   22   2HB   GLN  49          3HB       GLN  49   6.948  -0.501  -0.608
   23   1HG   GLN  49          2HG       GLN  49   8.618  -1.509  -1.930
   24   2HG   GLN  49          3HG       GLN  49   9.913  -0.597  -1.156
   25   1HE2  GLN  49          1HE2      GLN  49  10.096  -2.769   1.691
   26   2HE2  GLN  49          2HE2      GLN  49  10.404  -1.177   1.162
   27    H    CYS  50           H        CYS  50   8.316   1.931   1.291
   28    HA   CYS  50           HA       CYS  50   5.888   3.582   1.421
   29   1HB   CYS  50          2HB       CYS  50   8.095   2.715   3.284
   30   2HB   CYS  50          3HB       CYS  50   6.933   3.941   3.788
   31    H    ALA  51           H        ALA  51   7.778   4.602  -0.492
   32    HA   ALA  51           HA       ALA  51   9.056   6.921   0.876
   33   1HB   ALA  51          3HB       ALA  51  10.183   5.326  -0.811
   34   2HB   ALA  51          1HB       ALA  51   9.205   6.131  -2.039
   35   3HB   ALA  51          2HB       ALA  51  10.379   7.055  -1.101
   36    H    SER  52           H        SER  52   7.266   6.447  -2.199
   37    HA   SER  52           HA       SER  52   6.127   9.185  -1.875
   38   1HB   SER  52          2HB       SER  52   7.088   7.504  -4.027
   39   2HB   SER  52          3HB       SER  52   5.443   8.035  -4.363
   40    HG   SER  52           HG       SER  52   6.371  10.180  -3.600
   41    H    SER  53           H        SER  53   5.110   6.829  -0.350
   42    HA   SER  53           HA       SER  53   3.061   5.705   0.075
   43   1HB   SER  53          2HB       SER  53   2.826   8.523  -0.219
   44   2HB   SER  53          3HB       SER  53   1.385   7.814  -0.941
   45    HG   SER  53           HG       SER  53   1.002   6.728   0.979
   46    HA   PRO  54           HA       PRO  54   2.355   4.520  -4.314
   47   1HB   PRO  54          2HB       PRO  54   2.644   1.834  -3.911
   48   2HB   PRO  54          3HB       PRO  54   4.027   2.912  -4.197
   49   1HG   PRO  54          2HG       PRO  54   3.029   1.748  -1.653
   50   2HG   PRO  54          3HG       PRO  54   4.689   2.060  -2.179
   51   1HD   PRO  54          2HD       PRO  54   3.283   3.649  -0.427
   52   2HD   PRO  54          3HD       PRO  54   4.659   4.201  -1.408
   53    H    CYS  55           H        CYS  55   0.747   4.311  -1.431
   54    HA   CYS  55           HA       CYS  55  -1.560   2.851  -2.664
   55   1HB   CYS  55          2HB       CYS  55  -0.494   2.885   0.174
   56   2HB   CYS  55          3HB       CYS  55  -1.963   2.030  -0.328
   57    H    GLN  56           H        GLN  56  -3.693   3.534  -1.450
   58    HA   GLN  56           HA       GLN  56  -3.608   6.437  -0.756
   59   1HB   GLN  56          2HB       GLN  56  -5.482   5.022  -2.680
   60   2HB   GLN  56          3HB       GLN  56  -5.545   6.734  -2.267
   61   1HG   GLN  56          2HG       GLN  56  -3.852   7.242  -3.676
   62   2HG   GLN  56          3HG       GLN  56  -2.891   5.865  -3.146
   63   1HE2  GLN  56          1HE2      GLN  56  -4.597   3.630  -5.533
   64   2HE2  GLN  56          2HE2      GLN  56  -4.210   3.643  -3.871
   65    H    ASN  57           H        ASN  57  -6.195   6.947  -0.312
   66    HA   ASN  57           HA       ASN  57  -7.919   6.675   1.277
   67   1HB   ASN  57          2HB       ASN  57  -7.254   3.778   0.644
   68   2HB   ASN  57          3HB       ASN  57  -8.743   4.333   1.411
   69   1HD2  ASN  57          1HD2      ASN  57  -8.488   4.428  -2.589
   70   2HD2  ASN  57          2HD2      ASN  57  -7.380   3.592  -1.599
   71    H    GLY  58           H        GLY  58  -5.182   6.949   2.192
   72   1HA   GLY  58          2HA       GLY  58  -3.951   6.770   4.174
   73   2HA   GLY  58          3HA       GLY  58  -5.485   6.381   4.952
   74    H    GLY  59           H        GLY  59  -4.090   4.435   2.332
   75   1HA   GLY  59          2HA       GLY  59  -4.308   2.048   3.968
   76   2HA   GLY  59          3HA       GLY  59  -3.563   2.135   2.363
   77    H    SER  60           H        SER  60  -2.710   1.098   5.214
   78    HA   SER  60           HA       SER  60  -0.276   2.644   5.744
   79   1HB   SER  60          2HB       SER  60  -1.050  -0.124   6.699
   80   2HB   SER  60          3HB       SER  60   0.033   1.017   7.491
   81    HG   SER  60           HG       SER  60  -2.759   0.994   7.310
   82    H    CYS  61           H        CYS  61   1.483   2.438   4.420
   83    HA   CYS  61           HA       CYS  61   1.738   0.172   2.600
   84   1HB   CYS  61          2HB       CYS  61   3.624   1.435   1.749
   85   2HB   CYS  61          3HB       CYS  61   2.325   2.571   2.106
   86    H    LYS  62           H        LYS  62   2.568  -1.742   3.223
   87    HA   LYS  62           HA       LYS  62   4.440  -1.835   5.549
   88   1HB   LYS  62          2HB       LYS  62   2.347  -3.233   5.407
   89   2HB   LYS  62          3HB       LYS  62   3.055  -4.050   4.016
   90   1HG   LYS  62          2HG       LYS  62   4.279  -5.380   5.353
   91   2HG   LYS  62          3HG       LYS  62   4.964  -3.978   6.176
   92   1HD   LYS  62          2HD       LYS  62   2.662  -3.871   7.396
   93   2HD   LYS  62          3HD       LYS  62   2.492  -5.546   6.869
   94   1HE   LYS  62          2HE       LYS  62   3.623  -6.006   8.814
   95   2HE   LYS  62          3HE       LYS  62   5.055  -5.552   7.868
   96   1HZ   LYS  62          1HZ       LYS  62   3.406  -3.457   9.113
   97   2HZ   LYS  62          2HZ       LYS  62   4.538  -4.295  10.063
   98   3HZ   LYS  62          3HZ       LYS  62   5.055  -3.423   8.703
   99    H    ASP  63           H        ASP  63   6.558  -2.597   5.285
  100    HA   ASP  63           HA       ASP  63   7.514  -2.811   2.474
  101   1HB   ASP  63          2HB       ASP  63   9.646  -2.251   3.428
  102   2HB   ASP  63          3HB       ASP  63   8.456  -1.233   4.241
  103    H    GLN  64           H        GLN  64   7.872  -4.822   1.636
  104    HA   GLN  64           HA       GLN  64   8.828  -6.967   3.483
  105   1HB   GLN  64          2HB       GLN  64   7.152  -8.107   1.442
  106   2HB   GLN  64          3HB       GLN  64   6.947  -8.173   3.186
  107   1HG   GLN  64          2HG       GLN  64   5.970  -5.753   2.905
  108   2HG   GLN  64          3HG       GLN  64   5.762  -6.229   1.219
  109   1HE2  GLN  64          1HE2      GLN  64   3.505  -8.065   4.115
  110   2HE2  GLN  64          2HE2      GLN  64   4.899  -7.188   4.561
  111    H    LEU  65           H        LEU  65   9.931  -8.734   2.304
  112    HA   LEU  65           HA       LEU  65  11.936  -7.923   0.549
  113   1HB   LEU  65          2HB       LEU  65  11.961 -10.015   1.764
  114   2HB   LEU  65          3HB       LEU  65  10.543 -10.587   0.884
  115    HG   LEU  65           HG       LEU  65  12.117 -10.075  -1.219
  116   1HD1  LEU  65          3HD1      LEU  65  13.857  -9.624   0.931
  117   2HD1  LEU  65          1HD1      LEU  65  14.292 -11.224   0.331
  118   3HD1  LEU  65          2HD1      LEU  65  14.312  -9.838  -0.760
  119   1HD2  LEU  65          1HD2      LEU  65  11.079 -12.250  -0.633
  120   2HD2  LEU  65          2HD2      LEU  65  12.740 -12.459  -1.189
  121   3HD2  LEU  65          3HD2      LEU  65  12.368 -12.541   0.533
  122    H    GLN  66           H        GLN  66   9.758 -10.286  -0.776
  123    HA   GLN  66           HA       GLN  66   9.940  -9.843  -3.446
  124   1HB   GLN  66          2HB       GLN  66   7.582 -10.621  -3.576
  125   2HB   GLN  66          3HB       GLN  66   8.501 -11.516  -2.364
  126   1HG   GLN  66          2HG       GLN  66   7.622  -9.661  -0.726
  127   2HG   GLN  66          3HG       GLN  66   6.389  -9.417  -1.965
  128   1HE2  GLN  66          1HE2      GLN  66   4.753 -11.960   0.005
  129   2HE2  GLN  66          2HE2      GLN  66   4.926 -10.277  -0.127
  130    H    SER  67           H        SER  67   8.270  -7.691  -1.197
  131    HA   SER  67           HA       SER  67   8.439  -5.376  -2.795
  132   1HB   SER  67          2HB       SER  67   6.547  -7.327  -3.736
  133   2HB   SER  67          3HB       SER  67   5.665  -5.898  -3.206
  134    HG   SER  67           HG       SER  67   6.242  -5.354  -5.207
  135    H    TYR  68           H        TYR  68   5.816  -4.275  -2.257
  136    HA   TYR  68           HA       TYR  68   5.800  -4.393   0.741
  137   1HB   TYR  68          2HB       TYR  68   5.342  -1.998   0.675
  138   2HB   TYR  68          3HB       TYR  68   6.765  -2.337  -0.310
  139    HD1  TYR  68           HD1      TYR  68   3.028  -2.090  -0.620
  140    HD2  TYR  68           HD2      TYR  68   6.850  -1.477  -2.481
  141    HE1  TYR  68           HE1      TYR  68   1.910  -1.057  -2.576
  142    HE2  TYR  68           HE2      TYR  68   5.730  -0.440  -4.436
  143    HH   TYR  68           HH       TYR  68   3.726  -0.157  -5.467
  144    H    ILE  69           H        ILE  69   3.745  -4.382   1.739
  145    HA   ILE  69           HA       ILE  69   1.401  -4.685  -0.111
  146    HB   ILE  69           HB       ILE  69   2.242  -6.774   0.954
  147   1HG1  ILE  69          2HG1      ILE  69  -0.360  -6.003   2.267
  148   2HG1  ILE  69          3HG1      ILE  69  -0.246  -6.224   0.519
  149   1HG2  ILE  69          3HG2      ILE  69   3.117  -5.624   3.008
  150   2HG2  ILE  69          1HG2      ILE  69   1.451  -5.431   3.552
  151   3HG2  ILE  69          2HG2      ILE  69   2.134  -7.044   3.359
  152   1HD1  ILE  69          1HD1      ILE  69   1.064  -8.380   1.965
  153   2HD1  ILE  69          2HD1      ILE  69  -0.637  -8.240   2.409
  154   3HD1  ILE  69          3HD1      ILE  69  -0.182  -8.467   0.720
  155    H    CYS  70           H        CYS  70  -0.099  -3.092   0.238
  156    HA   CYS  70           HA       CYS  70   0.065  -1.464   2.696
  157   1HB   CYS  70          2HB       CYS  70  -1.397  -1.278   0.073
  158   2HB   CYS  70          3HB       CYS  70  -1.605  -0.103   1.370
  159    H    PHE  71           H        PHE  71  -1.258  -1.893   4.408
  160    HA   PHE  71           HA       PHE  71  -3.566  -3.707   4.097
  161   1HB   PHE  71          2HB       PHE  71  -2.166  -2.291   6.377
  162   2HB   PHE  71          3HB       PHE  71  -3.649  -3.220   6.620
  163    HD1  PHE  71           HD1      PHE  71  -0.152  -3.454   5.343
  164    HD2  PHE  71           HD2      PHE  71  -3.608  -5.590   6.740
  165    HE1  PHE  71           HE1      PHE  71   1.168  -5.553   5.400
  166    HE2  PHE  71           HE2      PHE  71  -2.288  -7.688   6.796
  167    HZ   PHE  71           HZ       PHE  71   0.100  -7.670   6.126
  168    H    CYS  72           H        CYS  72  -4.707  -2.096   2.665
  169    HA   CYS  72           HA       CYS  72  -5.477   0.508   3.427
  170   1HB   CYS  72          2HB       CYS  72  -5.876  -1.183   1.321
  171   2HB   CYS  72          3HB       CYS  72  -7.494  -1.145   2.030
  172    H    LEU  73           H        LEU  73  -8.315   0.412   3.371
  173    HA   LEU  73           HA       LEU  73  -8.864  -0.577   6.142
  174   1HB   LEU  73          2HB       LEU  73 -10.333   1.503   4.494
  175   2HB   LEU  73          3HB       LEU  73 -10.424   1.260   6.238
  176    HG   LEU  73           HG       LEU  73  -7.795   1.927   4.898
  177   1HD1  LEU  73          1HD1      LEU  73  -9.928   3.841   5.904
  178   2HD1  LEU  73          2HD1      LEU  73  -8.267   4.305   5.538
  179   3HD1  LEU  73          3HD1      LEU  73  -9.321   3.715   4.253
  180   1HD2  LEU  73          1HD2      LEU  73  -8.027   1.045   7.307
  181   2HD2  LEU  73          2HD2      LEU  73  -7.134   2.553   7.102
  182   3HD2  LEU  73          3HD2      LEU  73  -8.801   2.587   7.678
  183    HA   PRO  74           HA       PRO  74 -12.149  -3.199   4.887
  184   1HB   PRO  74          2HB       PRO  74 -14.304  -1.541   6.039
  185   2HB   PRO  74          3HB       PRO  74 -13.765  -3.167   6.507
  186   1HG   PRO  74          2HG       PRO  74 -13.297  -0.990   8.021
  187   2HG   PRO  74          3HG       PRO  74 -12.198  -2.376   7.962
  188   1HD   PRO  74          2HD       PRO  74 -11.932   0.300   6.691
  189   2HD   PRO  74          3HD       PRO  74 -10.678  -0.769   7.360
  190    H    ALA  75           H        ALA  75 -12.172   0.053   3.893
  191    HA   ALA  75           HA       ALA  75 -14.531  -0.119   2.149
  192   1HB   ALA  75          1HB       ALA  75 -12.315   1.865   2.682
  193   2HB   ALA  75          2HB       ALA  75 -13.504   2.133   1.407
  194   3HB   ALA  75          3HB       ALA  75 -14.026   2.006   3.088
  195    H    PHE  76           H        PHE  76 -11.016  -0.431   1.843
  196    HA   PHE  76           HA       PHE  76 -11.382  -1.029  -1.066
  197   1HB   PHE  76          2HB       PHE  76  -8.834  -0.189   0.327
  198   2HB   PHE  76          3HB       PHE  76  -9.211  -0.093  -1.396
  199    HD1  PHE  76           HD1      PHE  76 -10.191   1.248   1.948
  200    HD2  PHE  76           HD2      PHE  76 -10.250   1.829  -2.307
  201    HE1  PHE  76           HE1      PHE  76 -11.098   3.533   2.274
  202    HE2  PHE  76           HE2      PHE  76 -11.160   4.113  -1.982
  203    HZ   PHE  76           HZ       PHE  76 -11.582   4.965   0.309
  204    H    GLU  77           H        GLU  77  -9.591  -2.595  -1.867
  205    HA   GLU  77           HA       GLU  77  -8.546  -4.481   0.137
  206   1HB   GLU  77          2HB       GLU  77 -11.142  -4.792  -0.686
  207   2HB   GLU  77          3HB       GLU  77 -10.288  -5.800  -1.854
  208   1HG   GLU  77          2HG       GLU  77  -9.371  -6.108   0.935
  209   2HG   GLU  77          3HG       GLU  77 -11.027  -6.641   0.641
  210    H    GLY  78           H        GLY  78  -6.744  -3.375  -1.274
  211   1HA   GLY  78          2HA       GLY  78  -5.923  -5.341  -3.291
  212   2HA   GLY  78          3HA       GLY  78  -6.206  -3.720  -3.928
  213    H    ARG  79           H        ARG  79  -3.650  -4.853  -4.035
  214    HA   ARG  79           HA       ARG  79  -1.874  -4.374  -1.913
  215   1HB   ARG  79          2HB       ARG  79  -1.594  -5.323  -4.333
  216   2HB   ARG  79          3HB       ARG  79  -1.243  -3.651  -4.771
  217   1HG   ARG  79          2HG       ARG  79   0.671  -3.562  -3.401
  218   2HG   ARG  79          3HG       ARG  79   0.169  -4.964  -2.455
  219   1HD   ARG  79          2HD       ARG  79   2.019  -5.495  -4.074
  220   2HD   ARG  79          3HD       ARG  79   0.548  -6.436  -4.392
  221    HE   ARG  79           HE       ARG  79  -0.001  -4.816  -6.188
  222   1HH1  ARG  79          1HH2      ARG  79   1.536  -2.449  -5.562
  223   2HH1  ARG  79          2HH2      ARG  79   2.951  -2.590  -6.550
  224   1HH2  ARG  79          1HH1      ARG  79   2.523  -5.980  -7.143
  225   2HH2  ARG  79          2HH1      ARG  79   3.510  -4.590  -7.445
  226    H    ASN  80           H        ASN  80  -3.517  -2.069  -3.989
  227    HA   ASN  80           HA       ASN  80  -2.239   0.155  -2.439
  228   1HB   ASN  80          2HB       ASN  80  -2.612  -0.183  -5.426
  229   2HB   ASN  80          3HB       ASN  80  -2.274   1.383  -4.688
  230   1HD2  ASN  80          1HD2      ASN  80   1.137   0.466  -5.227
  231   2HD2  ASN  80          2HD2      ASN  80  -0.155   1.420  -5.806
  232    H    CYS  81           H        CYS  81  -4.934  -1.242  -2.351
  233    HA   CYS  81           HA       CYS  81  -7.179  -0.576  -2.033
  234   1HB   CYS  81          2HB       CYS  81  -6.025   2.211  -2.325
  235   2HB   CYS  81          3HB       CYS  81  -7.470   1.738  -1.432
  236    H    GLU  82           H        GLU  82  -5.639  -0.474  -4.846
  237    HA   GLU  82           HA       GLU  82  -7.157   1.324  -6.497
  238   1HB   GLU  82          2HB       GLU  82  -5.149   0.557  -7.407
  239   2HB   GLU  82          3HB       GLU  82  -5.406  -1.094  -6.837
  240   1HG   GLU  82          2HG       GLU  82  -7.265  -1.324  -8.501
  241   2HG   GLU  82          3HG       GLU  82  -6.854   0.274  -9.125
  242    H    THR  83           H        THR  83  -8.057  -1.541  -4.886
  243    HA   THR  83           HA       THR  83 -10.238  -2.130  -6.844
  244    HB   THR  83           HB       THR  83  -8.981  -3.636  -4.534
  245    HG1  THR  83           HG1      THR  83  -7.955  -4.642  -6.071
  246   1HG2  THR  83          3HG2      THR  83 -11.633  -3.856  -5.538
  247   2HG2  THR  83          1HG2      THR  83 -10.732  -5.258  -6.117
  248   3HG2  THR  83          2HG2      THR  83 -10.817  -4.918  -4.388
  249    H    HIS  84           H        HIS  84 -10.882   0.161  -5.639
  250    HA   HIS  84           HA       HIS  84 -11.921   0.352  -3.080
  251   1HB   HIS  84          2HB       HIS  84 -12.004   2.206  -4.581
  252   2HB   HIS  84          3HB       HIS  84 -12.945   1.298  -5.766
  253    HD1  HIS  84           HD1      HIS  84 -15.478   0.863  -5.204
  254    HD2  HIS  84           HD2      HIS  84 -13.523   3.362  -2.499
  255    HE1  HIS  84           HE1      HIS  84 -17.285   1.972  -3.820
  256    H    LYS  85           H        LYS  85 -13.079  -1.255  -2.056
  257    HA   LYS  85           HA       LYS  85 -14.678  -3.255  -3.235
  258   1HB   LYS  85          2HB       LYS  85 -14.918  -1.860  -0.546
  259   2HB   LYS  85          3HB       LYS  85 -15.630  -3.430  -0.938
  260   1HG   LYS  85          2HG       LYS  85 -13.505  -4.456  -1.180
  261   2HG   LYS  85          3HG       LYS  85 -12.674  -2.902  -1.272
  262   1HD   LYS  85          2HD       LYS  85 -12.291  -3.119   0.943
  263   2HD   LYS  85          3HD       LYS  85 -14.010  -2.791   1.168
  264   1HE   LYS  85          2HE       LYS  85 -13.305  -5.595   0.456
  265   2HE   LYS  85          3HE       LYS  85 -12.853  -5.055   2.086
  266   1HZ   LYS  85          1HZ       LYS  85 -15.528  -4.618   0.869
  267   2HZ   LYS  85          2HZ       LYS  85 -15.171  -5.897   1.930
  268   3HZ   LYS  85          3HZ       LYS  85 -15.068  -4.293   2.472
   
  No H/Q in entry =         268
  Start of MODEL   19
    1   1H    SER  45          2H        SER  45  12.632   3.693   2.073
    2   2H    SER  45          1H        SER  45  12.368   2.793   3.490
    3   3H    SER  45          3H        SER  45  11.516   4.239   3.226
    4    HA   SER  45           HA       SER  45  13.172   4.858   4.741
    5   1HB   SER  45          2HB       SER  45  14.965   3.159   2.976
    6   2HB   SER  45          3HB       SER  45  15.482   3.999   4.434
    7    HG   SER  45           HG       SER  45  13.487   2.721   5.287
    8    H    ASP  46           H        ASP  46  12.119   6.461   2.878
    9    HA   ASP  46           HA       ASP  46  12.569   8.402   1.605
   10   1HB   ASP  46          2HB       ASP  46  14.853   7.833   3.327
   11   2HB   ASP  46          3HB       ASP  46  15.343   8.684   1.862
   12    H    GLY  47           H        GLY  47  12.355   6.132   0.067
   13   1HA   GLY  47          2HA       GLY  47  13.007   6.314  -2.398
   14   2HA   GLY  47          3HA       GLY  47  14.673   6.306  -1.817
   15    H    ASP  48           H        ASP  48  11.710   4.337  -1.347
   16    HA   ASP  48           HA       ASP  48  13.320   1.912  -1.988
   17   1HB   ASP  48          2HB       ASP  48  11.878   2.591   0.575
   18   2HB   ASP  48          3HB       ASP  48  12.162   0.911   0.115
   19    H    GLN  49           H        GLN  49  10.205   1.847  -0.380
   20    HA   GLN  49           HA       GLN  49   8.862   1.256  -2.989
   21   1HB   GLN  49          2HB       GLN  49   8.843  -0.299  -0.404
   22   2HB   GLN  49          3HB       GLN  49   7.717  -0.611  -1.727
   23   1HG   GLN  49          2HG       GLN  49   9.376  -1.432  -3.125
   24   2HG   GLN  49          3HG       GLN  49  10.650  -0.505  -2.331
   25   1HE2  GLN  49          1HE2      GLN  49  10.549  -2.907   0.539
   26   2HE2  GLN  49          2HE2      GLN  49  10.279  -1.232   0.361
   27    H    CYS  50           H        CYS  50   8.280   1.801   0.505
   28    HA   CYS  50           HA       CYS  50   5.568   2.794   0.026
   29   1HB   CYS  50          2HB       CYS  50   7.440   2.635   2.402
   30   2HB   CYS  50          3HB       CYS  50   5.806   3.290   2.523
   31    H    ALA  51           H        ALA  51   8.583   4.146  -0.454
   32    HA   ALA  51           HA       ALA  51   8.488   6.734   0.665
   33   1HB   ALA  51          3HB       ALA  51  10.004   5.261  -1.179
   34   2HB   ALA  51          1HB       ALA  51   9.467   6.680  -2.078
   35   3HB   ALA  51          2HB       ALA  51  10.375   6.878  -0.579
   36    H    SER  52           H        SER  52   7.284   5.701  -2.554
   37    HA   SER  52           HA       SER  52   6.005   8.256  -3.093
   38   1HB   SER  52          2HB       SER  52   5.481   7.232  -5.139
   39   2HB   SER  52          3HB       SER  52   6.910   6.331  -4.640
   40    HG   SER  52           HG       SER  52   4.928   5.123  -5.316
   41    H    SER  53           H        SER  53   5.179   5.598  -1.136
   42    HA   SER  53           HA       SER  53   3.215   5.162   0.111
   43   1HB   SER  53          2HB       SER  53   3.225   7.923  -0.624
   44   2HB   SER  53          3HB       SER  53   1.576   7.329  -0.802
   45    HG   SER  53           HG       SER  53   1.485   6.919   1.296
   46    HA   PRO  54           HA       PRO  54   1.476   3.545  -3.895
   47   1HB   PRO  54          2HB       PRO  54   1.392   0.935  -2.940
   48   2HB   PRO  54          3HB       PRO  54   2.727   1.620  -3.890
   49   1HG   PRO  54          2HG       PRO  54   2.519   1.174  -0.967
   50   2HG   PRO  54          3HG       PRO  54   3.929   1.070  -2.030
   51   1HD   PRO  54          2HD       PRO  54   3.478   3.162  -0.356
   52   2HD   PRO  54          3HD       PRO  54   4.367   3.315  -1.887
   53    H    CYS  55           H        CYS  55   0.720   2.277  -0.621
   54    HA   CYS  55           HA       CYS  55  -1.999   1.647  -1.028
   55   1HB   CYS  55          2HB       CYS  55  -0.191   1.606   1.019
   56   2HB   CYS  55          3HB       CYS  55  -1.258   2.912   1.546
   57    H    GLN  56           H        GLN  56  -3.913   2.882  -0.822
   58    HA   GLN  56           HA       GLN  56  -3.602   5.841  -0.592
   59   1HB   GLN  56          2HB       GLN  56  -5.201   4.224  -2.601
   60   2HB   GLN  56          3HB       GLN  56  -5.252   5.983  -2.466
   61   1HG   GLN  56          2HG       GLN  56  -3.156   6.253  -3.362
   62   2HG   GLN  56          3HG       GLN  56  -2.565   4.728  -2.701
   63   1HE2  GLN  56          1HE2      GLN  56  -5.044   3.903  -5.813
   64   2HE2  GLN  56          2HE2      GLN  56  -5.625   4.651  -4.394
   65    H    ASN  57           H        ASN  57  -6.010   6.772  -0.487
   66    HA   ASN  57           HA       ASN  57  -7.973   6.944   0.814
   67   1HB   ASN  57          2HB       ASN  57  -7.847   3.924   0.530
   68   2HB   ASN  57          3HB       ASN  57  -9.292   4.885   0.850
   69   1HD2  ASN  57          1HD2      ASN  57  -8.514   4.191  -2.924
   70   2HD2  ASN  57          2HD2      ASN  57  -8.160   3.180  -1.596
   71    H    GLY  58           H        GLY  58  -5.474   6.869   2.248
   72   1HA   GLY  58          2HA       GLY  58  -4.875   6.839   4.527
   73   2HA   GLY  58          3HA       GLY  58  -6.480   6.205   4.892
   74    H    GLY  59           H        GLY  59  -4.727   4.463   2.486
   75   1HA   GLY  59          2HA       GLY  59  -4.577   2.149   4.288
   76   2HA   GLY  59          3HA       GLY  59  -4.151   2.158   2.571
   77    H    SER  60           H        SER  60  -2.660   1.255   5.110
   78    HA   SER  60           HA       SER  60  -0.295   3.046   5.084
   79   1HB   SER  60          2HB       SER  60  -0.540   0.468   6.605
   80   2HB   SER  60          3HB       SER  60   0.231   1.975   7.093
   81    HG   SER  60           HG       SER  60  -1.592   2.453   8.003
   82    H    CYS  61           H        CYS  61   1.446   2.608   3.788
   83    HA   CYS  61           HA       CYS  61   1.543   0.168   2.174
   84   1HB   CYS  61          2HB       CYS  61   2.202   2.328   1.268
   85   2HB   CYS  61          3HB       CYS  61   3.383   2.550   2.557
   86    H    LYS  62           H        LYS  62   2.959  -1.577   2.465
   87    HA   LYS  62           HA       LYS  62   4.532  -1.579   5.021
   88   1HB   LYS  62          2HB       LYS  62   2.606  -3.187   4.673
   89   2HB   LYS  62          3HB       LYS  62   3.536  -3.905   3.358
   90   1HG   LYS  62          2HG       LYS  62   3.917  -5.193   5.388
   91   2HG   LYS  62          3HG       LYS  62   5.399  -4.343   4.952
   92   1HD   LYS  62          2HD       LYS  62   4.879  -2.570   6.574
   93   2HD   LYS  62          3HD       LYS  62   3.370  -3.381   6.992
   94   1HE   LYS  62          2HE       LYS  62   4.578  -4.447   8.603
   95   2HE   LYS  62          3HE       LYS  62   5.292  -5.387   7.278
   96   1HZ   LYS  62          3HZ       LYS  62   6.677  -3.160   7.033
   97   2HZ   LYS  62          1HZ       LYS  62   6.370  -3.076   8.702
   98   3HZ   LYS  62          2HZ       LYS  62   7.177  -4.420   8.057
   99    H    ASP  63           H        ASP  63   6.687  -2.363   4.962
  100    HA   ASP  63           HA       ASP  63   7.896  -2.543   2.223
  101   1HB   ASP  63          2HB       ASP  63   8.627  -0.613   3.506
  102   2HB   ASP  63          3HB       ASP  63   8.962  -1.623   4.912
  103    H    GLN  64           H        GLN  64   8.144  -4.730   1.800
  104    HA   GLN  64           HA       GLN  64   9.052  -6.495   4.035
  105   1HB   GLN  64          2HB       GLN  64   8.430  -7.939   1.628
  106   2HB   GLN  64          3HB       GLN  64   7.580  -7.969   3.167
  107   1HG   GLN  64          2HG       GLN  64   6.296  -5.948   2.468
  108   2HG   GLN  64          3HG       GLN  64   7.112  -6.004   0.903
  109   1HE2  GLN  64          1HE2      GLN  64   4.090  -8.626   1.700
  110   2HE2  GLN  64          2HE2      GLN  64   4.673  -7.576   2.913
  111    H    LEU  65           H        LEU  65  10.599  -8.288   3.254
  112    HA   LEU  65           HA       LEU  65  12.968  -7.032   2.145
  113   1HB   LEU  65          2HB       LEU  65  12.616  -8.915   3.936
  114   2HB   LEU  65          3HB       LEU  65  12.585  -9.987   2.535
  115    HG   LEU  65           HG       LEU  65  14.786  -7.984   2.643
  116   1HD1  LEU  65          1HD1      LEU  65  14.300 -10.024   4.718
  117   2HD1  LEU  65          2HD1      LEU  65  15.903 -10.099   3.989
  118   3HD1  LEU  65          3HD1      LEU  65  15.352  -8.610   4.756
  119   1HD2  LEU  65          3HD2      LEU  65  14.475 -10.885   1.822
  120   2HD2  LEU  65          1HD2      LEU  65  14.685  -9.490   0.763
  121   3HD2  LEU  65          2HD2      LEU  65  16.017 -10.032   1.784
  122    H    GLN  66           H        GLN  66  10.332  -8.764   0.791
  123    HA   GLN  66           HA       GLN  66  11.860  -9.507  -1.646
  124   1HB   GLN  66          2HB       GLN  66  10.458 -11.271  -1.319
  125   2HB   GLN  66          3HB       GLN  66   9.462 -10.357  -0.192
  126   1HG   GLN  66          2HG       GLN  66   8.079 -10.962  -2.077
  127   2HG   GLN  66          3HG       GLN  66   8.392  -9.228  -2.173
  128   1HE2  GLN  66          1HE2      GLN  66  10.548 -11.602  -4.764
  129   2HE2  GLN  66          2HE2      GLN  66  10.263 -12.155  -3.184
  130    H    SER  67           H        SER  67   9.499  -7.221  -0.454
  131    HA   SER  67           HA       SER  67   9.884  -5.350  -2.581
  132   1HB   SER  67          2HB       SER  67   7.698  -5.722  -3.742
  133   2HB   SER  67          3HB       SER  67   8.778  -7.103  -3.897
  134    HG   SER  67           HG       SER  67   7.535  -7.623  -1.739
  135    H    TYR  68           H        TYR  68   6.599  -5.290  -2.138
  136    HA   TYR  68           HA       TYR  68   6.517  -4.273   0.610
  137   1HB   TYR  68          2HB       TYR  68   5.897  -1.968  -0.165
  138   2HB   TYR  68          3HB       TYR  68   7.560  -2.416  -0.565
  139    HD1  TYR  68           HD1      TYR  68   4.169  -1.846  -1.897
  140    HD2  TYR  68           HD2      TYR  68   8.223  -2.885  -2.868
  141    HE1  TYR  68           HE1      TYR  68   3.691  -1.464  -4.301
  142    HE2  TYR  68           HE2      TYR  68   7.746  -2.504  -5.272
  143    HH   TYR  68           HH       TYR  68   4.728  -1.088  -6.343
  144    H    ILE  69           H        ILE  69   4.353  -4.138   1.338
  145    HA   ILE  69           HA       ILE  69   2.228  -4.690  -0.700
  146    HB   ILE  69           HB       ILE  69   3.029  -6.747   0.424
  147   1HG1  ILE  69          2HG1      ILE  69   0.505  -6.139  -0.120
  148   2HG1  ILE  69          3HG1      ILE  69   0.910  -7.628   0.729
  149   1HG2  ILE  69          3HG2      ILE  69   3.770  -5.642   2.518
  150   2HG2  ILE  69          1HG2      ILE  69   2.083  -5.397   2.967
  151   3HG2  ILE  69          2HG2      ILE  69   2.731  -7.031   2.831
  152   1HD1  ILE  69          1HD1      ILE  69   0.106  -5.029   2.075
  153   2HD1  ILE  69          2HD1      ILE  69  -0.960  -6.410   1.824
  154   3HD1  ILE  69          3HD1      ILE  69   0.440  -6.559   2.884
  155    H    CYS  70           H        CYS  70   0.675  -3.137  -0.525
  156    HA   CYS  70           HA       CYS  70   0.567  -1.358   1.764
  157   1HB   CYS  70          2HB       CYS  70   0.020  -0.157  -0.064
  158   2HB   CYS  70          3HB       CYS  70  -0.375  -1.602  -0.951
  159    H    PHE  71           H        PHE  71  -1.460  -0.949   2.901
  160    HA   PHE  71           HA       PHE  71  -3.284  -3.300   3.176
  161   1HB   PHE  71          2HB       PHE  71  -1.522  -1.930   5.190
  162   2HB   PHE  71          3HB       PHE  71  -3.057  -2.619   5.729
  163    HD1  PHE  71           HD1      PHE  71  -3.538  -5.072   4.744
  164    HD2  PHE  71           HD2      PHE  71   0.346  -3.308   5.238
  165    HE1  PHE  71           HE1      PHE  71  -2.518  -7.331   4.770
  166    HE2  PHE  71           HE2      PHE  71   1.368  -5.568   5.265
  167    HZ   PHE  71           HZ       PHE  71  -0.063  -7.580   5.032
  168    H    CYS  72           H        CYS  72  -5.169  -2.290   2.450
  169    HA   CYS  72           HA       CYS  72  -5.742   0.513   3.157
  170   1HB   CYS  72          2HB       CYS  72  -7.653  -1.413   1.860
  171   2HB   CYS  72          3HB       CYS  72  -7.453   0.310   1.557
  172    H    LEU  73           H        LEU  73  -8.584   0.215   3.403
  173    HA   LEU  73           HA       LEU  73  -8.771  -1.011   6.135
  174   1HB   LEU  73          2HB       LEU  73 -10.515   1.174   4.979
  175   2HB   LEU  73          3HB       LEU  73 -10.232   0.792   6.676
  176    HG   LEU  73           HG       LEU  73  -8.063   1.784   4.806
  177   1HD1  LEU  73          1HD1      LEU  73  -9.773   3.308   6.797
  178   2HD1  LEU  73          2HD1      LEU  73  -8.346   3.959   5.990
  179   3HD1  LEU  73          3HD1      LEU  73  -9.771   3.523   5.046
  180   1HD2  LEU  73          1HD2      LEU  73  -7.516   0.447   6.937
  181   2HD2  LEU  73          2HD2      LEU  73  -6.754   2.029   6.786
  182   3HD2  LEU  73          3HD2      LEU  73  -8.159   1.824   7.831
  183    HA   PRO  74           HA       PRO  74 -12.222  -3.463   4.959
  184   1HB   PRO  74          2HB       PRO  74 -14.246  -1.934   6.464
  185   2HB   PRO  74          3HB       PRO  74 -13.664  -3.590   6.731
  186   1HG   PRO  74          2HG       PRO  74 -13.061  -1.538   8.378
  187   2HG   PRO  74          3HG       PRO  74 -11.987  -2.920   8.119
  188   1HD   PRO  74          2HD       PRO  74 -11.786  -0.150   7.060
  189   2HD   PRO  74          3HD       PRO  74 -10.499  -1.287   7.518
  190    H    ALA  75           H        ALA  75 -12.276  -0.120   4.341
  191    HA   ALA  75           HA       ALA  75 -14.763  -0.122   2.756
  192   1HB   ALA  75          1HB       ALA  75 -12.590   1.865   3.445
  193   2HB   ALA  75          2HB       ALA  75 -13.899   2.264   2.331
  194   3HB   ALA  75          3HB       ALA  75 -14.262   1.848   4.007
  195    H    PHE  76           H        PHE  76 -11.262  -0.245   2.220
  196    HA   PHE  76           HA       PHE  76 -11.794  -0.402  -0.723
  197   1HB   PHE  76          2HB       PHE  76  -9.207   0.400   0.629
  198   2HB   PHE  76          3HB       PHE  76  -9.701   0.703  -1.040
  199    HD1  PHE  76           HD1      PHE  76 -11.528   2.334  -1.529
  200    HD2  PHE  76           HD2      PHE  76  -9.920   1.827   2.421
  201    HE1  PHE  76           HE1      PHE  76 -12.540   4.489  -0.841
  202    HE2  PHE  76           HE2      PHE  76 -10.931   3.984   3.110
  203    HZ   PHE  76           HZ       PHE  76 -12.241   5.315   1.480
  204    H    GLU  77           H        GLU  77 -10.110  -1.746  -1.893
  205    HA   GLU  77           HA       GLU  77  -9.011  -3.965  -0.214
  206   1HB   GLU  77          2HB       GLU  77 -11.350  -4.210  -1.507
  207   2HB   GLU  77          3HB       GLU  77 -10.273  -4.570  -2.856
  208   1HG   GLU  77          2HG       GLU  77 -10.932  -6.620  -1.604
  209   2HG   GLU  77          3HG       GLU  77  -9.191  -6.341  -1.564
  210    H    GLY  78           H        GLY  78  -8.470  -5.276  -2.950
  211   1HA   GLY  78          2HA       GLY  78  -6.658  -5.356  -4.440
  212   2HA   GLY  78          3HA       GLY  78  -6.826  -3.603  -4.540
  213    H    ARG  79           H        ARG  79  -4.317  -5.028  -4.527
  214    HA   ARG  79           HA       ARG  79  -3.051  -5.050  -1.960
  215   1HB   ARG  79          2HB       ARG  79  -2.044  -4.684  -4.797
  216   2HB   ARG  79          3HB       ARG  79  -0.981  -4.949  -3.414
  217   1HG   ARG  79          2HG       ARG  79  -2.246  -7.062  -2.924
  218   2HG   ARG  79          3HG       ARG  79  -3.138  -6.821  -4.426
  219   1HD   ARG  79          2HD       ARG  79  -1.351  -8.267  -5.044
  220   2HD   ARG  79          3HD       ARG  79  -0.780  -6.661  -5.537
  221    HE   ARG  79           HE       ARG  79  -0.058  -7.852  -2.885
  222   1HH1  ARG  79          1HH2      ARG  79   1.080  -5.448  -2.570
  223   2HH1  ARG  79          2HH2      ARG  79   2.519  -5.387  -3.532
  224   1HH2  ARG  79          1HH1      ARG  79   1.619  -8.081  -5.523
  225   2HH2  ARG  79          2HH1      ARG  79   2.823  -6.877  -5.204
  226    H    ASN  80           H        ASN  80  -3.805  -2.431  -4.171
  227    HA   ASN  80           HA       ASN  80  -2.272  -0.551  -2.392
  228   1HB   ASN  80          2HB       ASN  80  -2.929  -0.345  -5.351
  229   2HB   ASN  80          3HB       ASN  80  -1.934   0.782  -4.428
  230   1HD2  ASN  80          1HD2      ASN  80   0.973  -1.177  -4.766
  231   2HD2  ASN  80          2HD2      ASN  80   0.279   0.319  -4.331
  232    H    CYS  81           H        CYS  81  -5.222  -1.519  -2.415
  233    HA   CYS  81           HA       CYS  81  -7.290  -0.477  -1.903
  234   1HB   CYS  81          2HB       CYS  81  -5.772   2.132  -2.046
  235   2HB   CYS  81          3HB       CYS  81  -7.147   1.723  -1.021
  236    H    GLU  82           H        GLU  82  -5.761  -0.346  -4.746
  237    HA   GLU  82           HA       GLU  82  -6.972   1.795  -6.206
  238   1HB   GLU  82          2HB       GLU  82  -5.140   0.711  -7.196
  239   2HB   GLU  82          3HB       GLU  82  -5.764  -0.896  -6.814
  240   1HG   GLU  82          2HG       GLU  82  -7.620  -0.501  -8.454
  241   2HG   GLU  82          3HG       GLU  82  -6.845   1.020  -8.903
  242    H    THR  83           H        THR  83  -8.339  -1.056  -4.866
  243    HA   THR  83           HA       THR  83 -10.683  -0.901  -6.727
  244    HB   THR  83           HB       THR  83  -9.605  -3.068  -4.898
  245    HG1  THR  83           HG1      THR  83  -8.472  -3.274  -6.669
  246   1HG2  THR  83          3HG2      THR  83 -12.191  -2.841  -5.208
  247   2HG2  THR  83          1HG2      THR  83 -11.871  -3.438  -6.837
  248   3HG2  THR  83          2HG2      THR  83 -11.437  -4.419  -5.438
  249    H    HIS  84           H        HIS  84 -11.778   0.830  -5.614
  250    HA   HIS  84           HA       HIS  84 -12.239   0.848  -2.761
  251   1HB   HIS  84          2HB       HIS  84 -13.807   2.126  -5.025
  252   2HB   HIS  84          3HB       HIS  84 -13.776   2.656  -3.343
  253    HD1  HIS  84           HD1      HIS  84 -11.808   2.747  -6.509
  254    HD2  HIS  84           HD2      HIS  84 -11.307   3.904  -2.535
  255    HE1  HIS  84           HE1      HIS  84  -9.775   4.256  -6.453
  256    H    LYS  85           H        LYS  85 -13.624  -0.486  -1.661
  257    HA   LYS  85           HA       LYS  85 -15.296  -2.441  -2.891
  258   1HB   LYS  85          2HB       LYS  85 -15.442  -1.158  -0.140
  259   2HB   LYS  85          3HB       LYS  85 -16.132  -2.723  -0.585
  260   1HG   LYS  85          2HG       LYS  85 -13.846  -3.517  -1.191
  261   2HG   LYS  85          3HG       LYS  85 -13.192  -1.981  -0.622
  262   1HD   LYS  85          2HD       LYS  85 -13.491  -2.514   1.580
  263   2HD   LYS  85          3HD       LYS  85 -14.990  -3.390   1.269
  264   1HE   LYS  85          2HE       LYS  85 -12.678  -4.714   0.054
  265   2HE   LYS  85          3HE       LYS  85 -12.533  -4.574   1.817
  266   1HZ   LYS  85          3HZ       LYS  85 -14.989  -5.252   1.816
  267   2HZ   LYS  85          1HZ       LYS  85 -14.704  -5.808   0.237
  268   3HZ   LYS  85          2HZ       LYS  85 -13.836  -6.464   1.541
   
  No H/Q in entry =         268
  Start of MODEL   20
    1   1H    SER  45          3H        SER  45  16.841   3.665   6.073
    2   2H    SER  45          2H        SER  45  17.881   2.490   6.716
    3   3H    SER  45          1H        SER  45  18.523   3.905   6.029
    4    HA   SER  45           HA       SER  45  17.843   3.256   3.842
    5   1HB   SER  45          2HB       SER  45  19.565   1.769   5.636
    6   2HB   SER  45          3HB       SER  45  18.937   0.708   4.379
    7    HG   SER  45           HG       SER  45  19.615   2.344   2.864
    8    H    ASP  46           H        ASP  46  16.992   1.353   2.523
    9    HA   ASP  46           HA       ASP  46  15.258  -0.176   2.021
   10   1HB   ASP  46          2HB       ASP  46  16.372  -0.793   4.596
   11   2HB   ASP  46          3HB       ASP  46  14.635  -1.103   4.644
   12    H    GLY  47           H        GLY  47  13.815   1.657   1.539
   13   1HA   GLY  47          2HA       GLY  47  11.307   1.576   2.794
   14   2HA   GLY  47          3HA       GLY  47  12.187   2.894   3.569
   15    H    ASP  48           H        ASP  48  11.830   1.704   0.206
   16    HA   ASP  48           HA       ASP  48  11.453   4.557  -0.635
   17   1HB   ASP  48          2HB       ASP  48  12.264   2.135  -2.269
   18   2HB   ASP  48          3HB       ASP  48  12.388   3.828  -2.748
   19    H    GLN  49           H        GLN  49  10.329   1.228  -1.334
   20    HA   GLN  49           HA       GLN  49   8.223   1.802  -3.100
   21   1HB   GLN  49          2HB       GLN  49   8.500  -0.240  -0.897
   22   2HB   GLN  49          3HB       GLN  49   7.274  -0.327  -2.162
   23   1HG   GLN  49          2HG       GLN  49   8.802  -1.416  -3.415
   24   2HG   GLN  49          3HG       GLN  49   9.665   0.118  -3.538
   25   1HE2  GLN  49          1HE2      GLN  49  10.920  -2.219  -0.398
   26   2HE2  GLN  49          2HE2      GLN  49   9.251  -1.941  -0.624
   27    H    CYS  50           H        CYS  50   7.989   1.490   0.461
   28    HA   CYS  50           HA       CYS  50   5.267   2.567   0.495
   29   1HB   CYS  50          2HB       CYS  50   5.806   0.923   2.118
   30   2HB   CYS  50          3HB       CYS  50   7.340   1.696   2.511
   31    H    ALA  51           H        ALA  51   8.336   3.951   0.242
   32    HA   ALA  51           HA       ALA  51   8.018   6.283   1.929
   33   1HB   ALA  51          3HB       ALA  51  10.001   5.055   0.438
   34   2HB   ALA  51          1HB       ALA  51   9.679   6.522  -0.487
   35   3HB   ALA  51          2HB       ALA  51  10.149   6.634   1.209
   36    H    SER  52           H        SER  52   7.388   5.602  -1.516
   37    HA   SER  52           HA       SER  52   6.531   8.319  -2.127
   38   1HB   SER  52          2HB       SER  52   6.233   5.638  -3.513
   39   2HB   SER  52          3HB       SER  52   5.803   7.177  -4.251
   40    HG   SER  52           HG       SER  52   8.053   7.786  -3.671
   41    H    SER  53           H        SER  53   5.107   5.862  -0.340
   42    HA   SER  53           HA       SER  53   2.920   5.678   0.549
   43   1HB   SER  53          2HB       SER  53   3.264   8.259   0.262
   44   2HB   SER  53          3HB       SER  53   2.184   8.078  -1.116
   45    HG   SER  53           HG       SER  53   0.646   8.109   0.305
   46    HA   PRO  54           HA       PRO  54   1.865   3.948  -3.687
   47   1HB   PRO  54          2HB       PRO  54   1.773   1.330  -2.757
   48   2HB   PRO  54          3HB       PRO  54   3.184   2.074  -3.535
   49   1HG   PRO  54          2HG       PRO  54   2.641   1.594  -0.659
   50   2HG   PRO  54          3HG       PRO  54   4.173   1.558  -1.545
   51   1HD   PRO  54          2HD       PRO  54   3.431   3.614   0.072
   52   2HD   PRO  54          3HD       PRO  54   4.501   3.814  -1.333
   53    H    CYS  55           H        CYS  55   0.778   2.272  -0.710
   54    HA   CYS  55           HA       CYS  55  -1.837   1.662  -1.347
   55   1HB   CYS  55          2HB       CYS  55  -0.307   1.596   0.859
   56   2HB   CYS  55          3HB       CYS  55  -1.319   2.977   1.287
   57    H    GLN  56           H        GLN  56  -3.884   2.823  -1.032
   58    HA   GLN  56           HA       GLN  56  -3.676   5.795  -0.984
   59   1HB   GLN  56          2HB       GLN  56  -5.147   4.044  -2.976
   60   2HB   GLN  56          3HB       GLN  56  -5.268   5.802  -2.914
   61   1HG   GLN  56          2HG       GLN  56  -2.990   6.090  -3.511
   62   2HG   GLN  56          3HG       GLN  56  -2.606   4.402  -3.168
   63   1HE2  GLN  56          1HE2      GLN  56  -4.578   3.396  -6.195
   64   2HE2  GLN  56          2HE2      GLN  56  -4.708   3.085  -4.523
   65    H    ASN  57           H        ASN  57  -6.198   6.568  -1.116
   66    HA   ASN  57           HA       ASN  57  -8.206   6.722   0.121
   67   1HB   ASN  57          2HB       ASN  57  -7.794   3.718  -0.045
   68   2HB   ASN  57          3HB       ASN  57  -9.310   4.493   0.418
   69   1HD2  ASN  57          1HD2      ASN  57  -8.528   4.037  -3.471
   70   2HD2  ASN  57          2HD2      ASN  57  -7.713   3.197  -2.230
   71    H    GLY  58           H        GLY  58  -5.775   6.964   1.634
   72   1HA   GLY  58          2HA       GLY  58  -5.234   7.142   3.919
   73   2HA   GLY  58          3HA       GLY  58  -6.811   6.446   4.294
   74    H    GLY  59           H        GLY  59  -4.776   4.694   2.095
   75   1HA   GLY  59          2HA       GLY  59  -4.518   2.559   4.134
   76   2HA   GLY  59          3HA       GLY  59  -4.219   2.373   2.401
   77    H    SER  60           H        SER  60  -2.478   1.734   4.780
   78    HA   SER  60           HA       SER  60  -0.232   3.644   4.497
   79   1HB   SER  60          2HB       SER  60  -0.544   1.084   6.099
   80   2HB   SER  60          3HB       SER  60   0.711   2.299   6.321
   81    HG   SER  60           HG       SER  60  -2.071   2.828   6.511
   82    H    CYS  61           H        CYS  61   2.021   2.445   4.297
   83    HA   CYS  61           HA       CYS  61   1.789   0.364   2.146
   84   1HB   CYS  61          2HB       CYS  61   3.990   1.506   1.357
   85   2HB   CYS  61          3HB       CYS  61   2.469   2.343   1.057
   86    H    LYS  62           H        LYS  62   3.068  -1.438   2.418
   87    HA   LYS  62           HA       LYS  62   4.827  -1.501   4.839
   88   1HB   LYS  62          2HB       LYS  62   2.794  -3.037   4.480
   89   2HB   LYS  62          3HB       LYS  62   3.753  -3.824   3.225
   90   1HG   LYS  62          2HG       LYS  62   4.906  -4.985   4.768
   91   2HG   LYS  62          3HG       LYS  62   5.350  -3.498   5.606
   92   1HD   LYS  62          2HD       LYS  62   2.953  -3.554   6.573
   93   2HD   LYS  62          3HD       LYS  62   2.919  -5.233   6.034
   94   1HE   LYS  62          2HE       LYS  62   4.835  -5.788   7.415
   95   2HE   LYS  62          3HE       LYS  62   5.075  -4.081   7.839
   96   1HZ   LYS  62          3HZ       LYS  62   2.554  -4.290   8.483
   97   2HZ   LYS  62          1HZ       LYS  62   2.959  -5.924   8.688
   98   3HZ   LYS  62          2HZ       LYS  62   3.773  -4.730   9.581
   99    H    ASP  63           H        ASP  63   6.969  -2.322   4.629
  100    HA   ASP  63           HA       ASP  63   7.981  -2.470   1.809
  101   1HB   ASP  63          2HB       ASP  63   8.673  -0.894   4.060
  102   2HB   ASP  63          3HB       ASP  63  10.004  -2.027   3.820
  103    H    GLN  64           H        GLN  64   8.781  -4.442   1.202
  104    HA   GLN  64           HA       GLN  64   9.962  -6.224   3.273
  105   1HB   GLN  64          2HB       GLN  64   8.408  -7.818   1.455
  106   2HB   GLN  64          3HB       GLN  64   8.224  -7.665   3.199
  107   1HG   GLN  64          2HG       GLN  64   6.946  -5.473   2.673
  108   2HG   GLN  64          3HG       GLN  64   6.853  -6.083   1.022
  109   1HE2  GLN  64          1HE2      GLN  64   4.496  -8.635   1.808
  110   2HE2  GLN  64          2HE2      GLN  64   5.604  -8.063   0.644
  111    H    LEU  65           H        LEU  65  11.229  -8.003   2.256
  112    HA   LEU  65           HA       LEU  65  13.072  -7.166   0.327
  113   1HB   LEU  65          2HB       LEU  65  12.217  -9.629   1.650
  114   2HB   LEU  65          3HB       LEU  65  12.924  -9.921   0.060
  115    HG   LEU  65           HG       LEU  65  14.718  -8.149   0.967
  116   1HD1  LEU  65          3HD1      LEU  65  13.124  -8.524   3.219
  117   2HD1  LEU  65          1HD1      LEU  65  14.510  -9.575   3.511
  118   3HD1  LEU  65          2HD1      LEU  65  14.757  -7.856   3.209
  119   1HD2  LEU  65          3HD2      LEU  65  14.471 -11.108   1.137
  120   2HD2  LEU  65          1HD2      LEU  65  15.694 -10.126   0.329
  121   3HD2  LEU  65          2HD2      LEU  65  15.780 -10.383   2.072
  122    H    GLN  66           H        GLN  66  11.122  -9.922  -0.522
  123    HA   GLN  66           HA       GLN  66  11.164  -9.900  -3.233
  124   1HB   GLN  66          2HB       GLN  66   8.969 -10.970  -3.141
  125   2HB   GLN  66          3HB       GLN  66   9.908 -11.450  -1.725
  126   1HG   GLN  66          2HG       GLN  66   7.950 -10.852  -0.666
  127   2HG   GLN  66          3HG       GLN  66   8.740  -9.274  -0.694
  128   1HE2  GLN  66          1HE2      GLN  66   5.946  -9.883  -3.658
  129   2HE2  GLN  66          2HE2      GLN  66   7.030 -11.132  -3.276
  130    H    SER  67           H        SER  67   9.357  -7.581  -1.269
  131    HA   SER  67           HA       SER  67   9.268  -5.537  -3.210
  132   1HB   SER  67          2HB       SER  67   7.569  -7.770  -3.792
  133   2HB   SER  67          3HB       SER  67   6.543  -6.391  -3.413
  134    HG   SER  67           HG       SER  67   7.020  -5.733  -5.344
  135    H    TYR  68           H        TYR  68   6.544  -4.639  -2.760
  136    HA   TYR  68           HA       TYR  68   6.542  -4.296   0.223
  137   1HB   TYR  68          2HB       TYR  68   5.882  -1.943  -0.251
  138   2HB   TYR  68          3HB       TYR  68   7.449  -2.337  -0.964
  139    HD1  TYR  68           HD1      TYR  68   7.613  -2.860  -3.409
  140    HD2  TYR  68           HD2      TYR  68   3.990  -1.406  -1.618
  141    HE1  TYR  68           HE1      TYR  68   6.744  -2.261  -5.653
  142    HE2  TYR  68           HE2      TYR  68   3.120  -0.809  -3.863
  143    HH   TYR  68           HH       TYR  68   3.434  -1.223  -6.124
  144    H    ILE  69           H        ILE  69   4.411  -4.011   1.152
  145    HA   ILE  69           HA       ILE  69   2.133  -4.614  -0.697
  146    HB   ILE  69           HB       ILE  69   3.101  -5.996   1.787
  147   1HG1  ILE  69          2HG1      ILE  69   2.060  -6.785  -0.942
  148   2HG1  ILE  69          3HG1      ILE  69   3.679  -7.037  -0.287
  149   1HG2  ILE  69          3HG2      ILE  69   0.768  -5.299   2.286
  150   2HG2  ILE  69          1HG2      ILE  69   0.236  -6.038   0.776
  151   3HG2  ILE  69          2HG2      ILE  69   0.890  -7.046   2.068
  152   1HD1  ILE  69          3HD1      ILE  69   2.434  -8.413   1.561
  153   2HD1  ILE  69          1HD1      ILE  69   1.129  -8.481   0.377
  154   3HD1  ILE  69          2HD1      ILE  69   2.712  -9.151  -0.017
  155    H    CYS  70           H        CYS  70   0.635  -3.030  -0.497
  156    HA   CYS  70           HA       CYS  70   0.665  -1.148   1.714
  157   1HB   CYS  70          2HB       CYS  70  -0.053   0.015  -0.077
  158   2HB   CYS  70          3HB       CYS  70  -0.293  -1.463  -0.961
  159    H    PHE  71           H        PHE  71  -1.546  -0.633   2.730
  160    HA   PHE  71           HA       PHE  71  -3.249  -3.022   3.218
  161   1HB   PHE  71          2HB       PHE  71  -1.550  -1.505   5.210
  162   2HB   PHE  71          3HB       PHE  71  -2.967  -2.427   5.728
  163    HD1  PHE  71           HD1      PHE  71  -3.066  -4.885   5.368
  164    HD2  PHE  71           HD2      PHE  71   0.461  -2.604   4.470
  165    HE1  PHE  71           HE1      PHE  71  -1.734  -6.975   5.292
  166    HE2  PHE  71           HE2      PHE  71   1.793  -4.695   4.393
  167    HZ   PHE  71           HZ       PHE  71   0.695  -6.880   4.804
  168    H    CYS  72           H        CYS  72  -5.137  -2.038   2.476
  169    HA   CYS  72           HA       CYS  72  -5.744   0.769   3.086
  170   1HB   CYS  72          2HB       CYS  72  -7.651  -1.280   1.973
  171   2HB   CYS  72          3HB       CYS  72  -7.544   0.437   1.596
  172    H    LEU  73           H        LEU  73  -8.594   0.350   3.420
  173    HA   LEU  73           HA       LEU  73  -8.654  -0.688   6.237
  174   1HB   LEU  73          2HB       LEU  73 -10.463   1.436   5.072
  175   2HB   LEU  73          3HB       LEU  73 -10.056   1.152   6.764
  176    HG   LEU  73           HG       LEU  73  -7.579   1.615   5.657
  177   1HD1  LEU  73          3HD1      LEU  73  -8.723   2.251   3.511
  178   2HD1  LEU  73          1HD1      LEU  73  -9.520   3.564   4.378
  179   3HD1  LEU  73          2HD1      LEU  73  -7.765   3.557   4.209
  180   1HD2  LEU  73          3HD2      LEU  73  -9.548   3.576   6.882
  181   2HD2  LEU  73          1HD2      LEU  73  -8.375   2.583   7.748
  182   3HD2  LEU  73          2HD2      LEU  73  -7.822   3.890   6.699
  183    HA   PRO  74           HA       PRO  74 -12.174  -3.172   5.365
  184   1HB   PRO  74          2HB       PRO  74 -14.142  -1.472   6.765
  185   2HB   PRO  74          3HB       PRO  74 -13.608  -3.121   7.149
  186   1HG   PRO  74          2HG       PRO  74 -12.914  -0.981   8.631
  187   2HG   PRO  74          3HG       PRO  74 -11.876  -2.403   8.446
  188   1HD   PRO  74          2HD       PRO  74 -11.639   0.284   7.196
  189   2HD   PRO  74          3HD       PRO  74 -10.367  -0.851   7.702
  190    H    ALA  75           H        ALA  75 -12.224   0.113   4.459
  191    HA   ALA  75           HA       ALA  75 -14.729  -0.042   2.902
  192   1HB   ALA  75          1HB       ALA  75 -12.561   2.032   3.329
  193   2HB   ALA  75          2HB       ALA  75 -13.960   2.307   2.292
  194   3HB   ALA  75          3HB       ALA  75 -14.185   2.024   4.018
  195    H    PHE  76           H        PHE  76 -11.229  -0.140   2.351
  196    HA   PHE  76           HA       PHE  76 -11.766  -0.582  -0.560
  197   1HB   PHE  76          2HB       PHE  76  -9.226   0.389   0.777
  198   2HB   PHE  76          3HB       PHE  76  -9.613   0.441  -0.946
  199    HD1  PHE  76           HD1      PHE  76 -10.531   1.811   2.387
  200    HD2  PHE  76           HD2      PHE  76 -10.946   2.191  -1.872
  201    HE1  PHE  76           HE1      PHE  76 -11.601   4.029   2.688
  202    HE2  PHE  76           HE2      PHE  76 -12.016   4.406  -1.571
  203    HZ   PHE  76           HZ       PHE  76 -12.343   5.326   0.709
  204    H    GLU  77           H        GLU  77  -9.776  -1.886  -1.529
  205    HA   GLU  77           HA       GLU  77  -8.474  -3.817   0.210
  206   1HB   GLU  77          2HB       GLU  77  -9.815  -5.751  -0.434
  207   2HB   GLU  77          3HB       GLU  77 -10.887  -4.521   0.235
  208   1HG   GLU  77          2HG       GLU  77 -11.443  -3.762  -2.049
  209   2HG   GLU  77          3HG       GLU  77 -10.380  -5.002  -2.716
  210    H    GLY  78           H        GLY  78  -6.688  -4.539  -0.905
  211   1HA   GLY  78          2HA       GLY  78  -6.264  -5.613  -3.309
  212   2HA   GLY  78          3HA       GLY  78  -6.538  -3.943  -3.804
  213    H    ARG  79           H        ARG  79  -4.085  -5.099  -4.331
  214    HA   ARG  79           HA       ARG  79  -2.051  -4.848  -2.380
  215   1HB   ARG  79          2HB       ARG  79  -1.996  -5.809  -4.743
  216   2HB   ARG  79          3HB       ARG  79  -1.831  -4.149  -5.319
  217   1HG   ARG  79          2HG       ARG  79   0.222  -3.860  -4.049
  218   2HG   ARG  79          3HG       ARG  79   0.030  -5.450  -3.309
  219   1HD   ARG  79          2HD       ARG  79   0.813  -6.540  -5.164
  220   2HD   ARG  79          3HD       ARG  79  -0.007  -5.427  -6.279
  221    HE   ARG  79           HE       ARG  79   1.882  -3.795  -5.195
  222   1HH1  ARG  79          1HH2      ARG  79   4.081  -4.978  -4.521
  223   2HH1  ARG  79          2HH2      ARG  79   4.814  -5.737  -5.894
  224   1HH2  ARG  79          1HH1      ARG  79   1.930  -5.647  -7.817
  225   2HH2  ARG  79          2HH1      ARG  79   3.596  -6.116  -7.760
  226    H    ASN  80           H        ASN  80  -3.972  -2.377  -3.805
  227    HA   ASN  80           HA       ASN  80  -2.358  -0.301  -2.435
  228   1HB   ASN  80          2HB       ASN  80  -2.964  -0.309  -5.417
  229   2HB   ASN  80          3HB       ASN  80  -2.149   0.988  -4.540
  230   1HD2  ASN  80          1HD2      ASN  80   0.967  -0.720  -4.367
  231   2HD2  ASN  80          2HD2      ASN  80   0.055   0.604  -3.797
  232    H    CYS  81           H        CYS  81  -5.159  -1.538  -2.384
  233    HA   CYS  81           HA       CYS  81  -7.340  -0.716  -1.950
  234   1HB   CYS  81          2HB       CYS  81  -6.132   2.033  -2.318
  235   2HB   CYS  81          3HB       CYS  81  -7.481   1.569  -1.284
  236    H    GLU  82           H        GLU  82  -5.821  -0.657  -4.792
  237    HA   GLU  82           HA       GLU  82  -7.216   1.199  -6.443
  238   1HB   GLU  82          2HB       GLU  82  -5.331   0.207  -7.388
  239   2HB   GLU  82          3HB       GLU  82  -5.735  -1.393  -6.763
  240   1HG   GLU  82          2HG       GLU  82  -7.653  -1.477  -8.379
  241   2HG   GLU  82          3HG       GLU  82  -7.096   0.052  -9.058
  242    H    THR  83           H        THR  83  -8.393  -1.546  -4.773
  243    HA   THR  83           HA       THR  83 -10.720  -1.788  -6.645
  244    HB   THR  83           HB       THR  83 -10.285  -3.751  -4.463
  245    HG1  THR  83           HG1      THR  83  -8.164  -3.420  -5.037
  246   1HG2  THR  83          3HG2      THR  83 -11.669  -3.590  -6.892
  247   2HG2  THR  83          1HG2      THR  83 -10.352  -4.723  -7.198
  248   3HG2  THR  83          2HG2      THR  83 -11.484  -5.023  -5.880
  249    H    HIS  84           H        HIS  84 -11.525   0.264  -5.550
  250    HA   HIS  84           HA       HIS  84 -12.156   0.459  -2.789
  251   1HB   HIS  84          2HB       HIS  84 -12.284   2.373  -4.209
  252   2HB   HIS  84          3HB       HIS  84 -13.371   1.557  -5.333
  253    HD1  HIS  84           HD1      HIS  84 -15.751   0.765  -4.084
  254    HD2  HIS  84           HD2      HIS  84 -13.657   3.965  -2.425
  255    HE1  HIS  84           HE1      HIS  84 -17.398   2.018  -2.622
  256    H    LYS  85           H        LYS  85 -13.645  -0.641  -1.566
  257    HA   LYS  85           HA       LYS  85 -15.251  -2.771  -2.617
  258   1HB   LYS  85          2HB       LYS  85 -15.485  -1.186  -0.035
  259   2HB   LYS  85          3HB       LYS  85 -16.142  -2.802  -0.319
  260   1HG   LYS  85          2HG       LYS  85 -13.844  -3.642  -0.741
  261   2HG   LYS  85          3HG       LYS  85 -13.207  -2.035  -0.390
  262   1HD   LYS  85          2HD       LYS  85 -13.310  -2.405   1.829
  263   2HD   LYS  85          3HD       LYS  85 -14.997  -2.906   1.718
  264   1HE   LYS  85          2HE       LYS  85 -12.730  -4.750   0.917
  265   2HE   LYS  85          3HE       LYS  85 -13.375  -4.699   2.571
  266   1HZ   LYS  85          3HZ       LYS  85 -15.632  -4.915   1.524
  267   2HZ   LYS  85          1HZ       LYS  85 -14.850  -5.292   0.067
  268   3HZ   LYS  85          2HZ       LYS  85 -14.654  -6.300   1.420
   
  No H/Q in entry =         268
  Start of MODEL   21
    1   1H    SER  45          1H        SER  45  16.435  -2.822   0.534
    2   2H    SER  45          3H        SER  45  16.796  -1.516  -0.486
    3   3H    SER  45          2H        SER  45  17.673  -1.736   0.953
    4    HA   SER  45           HA       SER  45  16.167  -0.010   1.441
    5   1HB   SER  45          2HB       SER  45  14.124   0.125   0.383
    6   2HB   SER  45          3HB       SER  45  14.897  -0.997  -0.732
    7    HG   SER  45           HG       SER  45  12.941  -1.427   1.200
    8    H    ASP  46           H        ASP  46  14.440  -0.027   3.207
    9    HA   ASP  46           HA       ASP  46  14.171  -2.652   4.596
   10   1HB   ASP  46          2HB       ASP  46  16.267  -1.276   5.244
   11   2HB   ASP  46          3HB       ASP  46  15.135  -0.164   6.016
   12    H    GLY  47           H        GLY  47  12.572  -0.175   3.329
   13   1HA   GLY  47          2HA       GLY  47  10.083  -0.422   4.233
   14   2HA   GLY  47          3HA       GLY  47  10.791   0.376   5.639
   15    H    ASP  48           H        ASP  48  11.558   0.967   2.220
   16    HA   ASP  48           HA       ASP  48  10.494   3.754   2.573
   17   1HB   ASP  48          2HB       ASP  48  12.906   2.782   1.013
   18   2HB   ASP  48          3HB       ASP  48  12.409   4.462   1.214
   19    H    GLN  49           H        GLN  49  10.039   0.893   0.958
   20    HA   GLN  49           HA       GLN  49   9.780   1.212  -1.747
   21   1HB   GLN  49          2HB       GLN  49   7.516   0.320   0.031
   22   2HB   GLN  49          3HB       GLN  49   7.871  -0.254  -1.591
   23   1HG   GLN  49          2HG       GLN  49   8.997  -1.934  -0.567
   24   2HG   GLN  49          3HG       GLN  49  10.241  -0.725  -0.244
   25   1HE2  GLN  49          1HE2      GLN  49   7.530  -1.146   2.819
   26   2HE2  GLN  49          2HE2      GLN  49   6.966  -0.970   1.221
   27    H    CYS  50           H        CYS  50   7.386   2.367   0.597
   28    HA   CYS  50           HA       CYS  50   5.954   3.930  -1.435
   29   1HB   CYS  50          2HB       CYS  50   4.536   4.493   0.556
   30   2HB   CYS  50          3HB       CYS  50   4.762   2.758   0.344
   31    H    ALA  51           H        ALA  51   8.145   5.167  -1.805
   32    HA   ALA  51           HA       ALA  51   8.870   7.165   0.207
   33   1HB   ALA  51          1HB       ALA  51   9.580   6.666  -2.700
   34   2HB   ALA  51          2HB       ALA  51  10.312   7.949  -1.735
   35   3HB   ALA  51          3HB       ALA  51  10.546   6.260  -1.282
   36    H    SER  52           H        SER  52   6.536   6.911  -2.322
   37    HA   SER  52           HA       SER  52   5.949   9.842  -2.073
   38   1HB   SER  52          2HB       SER  52   6.598   8.167  -4.366
   39   2HB   SER  52          3HB       SER  52   5.035   8.954  -4.572
   40    HG   SER  52           HG       SER  52   6.399  10.854  -3.667
   41    H    SER  53           H        SER  53   4.863   7.130  -0.923
   42    HA   SER  53           HA       SER  53   2.720   6.453  -0.174
   43   1HB   SER  53          2HB       SER  53   2.583   9.114  -0.387
   44   2HB   SER  53          3HB       SER  53   1.473   8.709  -1.695
   45    HG   SER  53           HG       SER  53   1.210   8.415   1.036
   46    HA   PRO  54           HA       PRO  54   1.962   4.783  -4.399
   47   1HB   PRO  54          2HB       PRO  54   2.540   2.178  -3.800
   48   2HB   PRO  54          3HB       PRO  54   3.779   3.347  -4.301
   49   1HG   PRO  54          2HG       PRO  54   3.190   2.254  -1.625
   50   2HG   PRO  54          3HG       PRO  54   4.715   2.838  -2.300
   51   1HD   PRO  54          2HD       PRO  54   3.044   4.225  -0.529
   52   2HD   PRO  54          3HD       PRO  54   4.388   4.914  -1.462
   53    H    CYS  55           H        CYS  55   0.908   4.105  -1.185
   54    HA   CYS  55           HA       CYS  55  -1.331   2.359  -2.010
   55   1HB   CYS  55          2HB       CYS  55  -0.972   3.594   0.714
   56   2HB   CYS  55          3HB       CYS  55  -1.570   1.989   0.297
   57    H    GLN  56           H        GLN  56  -3.589   3.018  -1.467
   58    HA   GLN  56           HA       GLN  56  -3.982   5.977  -1.347
   59   1HB   GLN  56          2HB       GLN  56  -5.301   3.990  -3.227
   60   2HB   GLN  56          3HB       GLN  56  -5.703   5.704  -3.120
   61   1HG   GLN  56          2HG       GLN  56  -3.666   6.382  -4.032
   62   2HG   GLN  56          3HG       GLN  56  -2.856   4.875  -3.602
   63   1HE2  GLN  56          1HE2      GLN  56  -5.540   4.125  -6.564
   64   2HE2  GLN  56          2HE2      GLN  56  -6.050   4.669  -5.030
   65    H    ASN  57           H        ASN  57  -6.580   6.253  -1.202
   66    HA   ASN  57           HA       ASN  57  -8.435   6.015   0.243
   67   1HB   ASN  57          2HB       ASN  57  -7.731   3.079   0.203
   68   2HB   ASN  57          3HB       ASN  57  -9.330   3.821   0.195
   69   1HD2  ASN  57          1HD2      ASN  57  -9.180   4.609  -3.338
   70   2HD2  ASN  57          2HD2      ASN  57  -9.809   5.190  -1.862
   71    H    GLY  58           H        GLY  58  -5.915   6.564   1.530
   72   1HA   GLY  58          2HA       GLY  58  -5.027   6.611   3.700
   73   2HA   GLY  58          3HA       GLY  58  -6.572   5.959   4.243
   74    H    GLY  59           H        GLY  59  -4.497   4.317   1.905
   75   1HA   GLY  59          2HA       GLY  59  -4.313   2.046   3.810
   76   2HA   GLY  59          3HA       GLY  59  -3.963   1.966   2.078
   77    H    SER  60           H        SER  60  -2.334   1.325   4.622
   78    HA   SER  60           HA       SER  60  -0.082   3.214   4.476
   79   1HB   SER  60          2HB       SER  60  -1.133   1.701   6.428
   80   2HB   SER  60          3HB       SER  60   0.066   0.556   5.834
   81    HG   SER  60           HG       SER  60   1.413   2.690   5.933
   82    H    CYS  61           H        CYS  61   2.188   1.929   4.403
   83    HA   CYS  61           HA       CYS  61   2.118   0.143   1.990
   84   1HB   CYS  61          2HB       CYS  61   4.212   1.260   1.333
   85   2HB   CYS  61          3HB       CYS  61   2.946   2.461   1.586
   86    H    LYS  62           H        LYS  62   2.862  -1.876   2.493
   87    HA   LYS  62           HA       LYS  62   4.488  -2.279   4.950
   88   1HB   LYS  62          2HB       LYS  62   2.436  -3.620   4.409
   89   2HB   LYS  62          3HB       LYS  62   3.286  -4.264   3.003
   90   1HG   LYS  62          2HG       LYS  62   4.513  -5.690   4.250
   91   2HG   LYS  62          3HG       LYS  62   4.854  -4.459   5.468
   92   1HD   LYS  62          2HD       LYS  62   2.374  -4.783   6.171
   93   2HD   LYS  62          3HD       LYS  62   2.473  -6.293   5.266
   94   1HE   LYS  62          2HE       LYS  62   4.539  -5.580   7.360
   95   2HE   LYS  62          3HE       LYS  62   3.043  -6.439   7.775
   96   1HZ   LYS  62          1HZ       LYS  62   4.465  -7.375   5.416
   97   2HZ   LYS  62          2HZ       LYS  62   5.215  -7.691   6.904
   98   3HZ   LYS  62          3HZ       LYS  62   3.643  -8.261   6.609
   99    H    ASP  63           H        ASP  63   6.560  -3.202   4.910
  100    HA   ASP  63           HA       ASP  63   7.933  -3.195   2.256
  101   1HB   ASP  63          2HB       ASP  63   9.937  -2.823   3.590
  102   2HB   ASP  63          3HB       ASP  63   8.687  -1.713   4.150
  103    H    GLN  64           H        GLN  64   8.029  -5.231   1.388
  104    HA   GLN  64           HA       GLN  64   8.429  -7.546   3.251
  105   1HB   GLN  64          2HB       GLN  64   7.860  -8.345   0.548
  106   2HB   GLN  64          3HB       GLN  64   6.862  -8.565   1.982
  107   1HG   GLN  64          2HG       GLN  64   5.955  -6.264   1.667
  108   2HG   GLN  64          3HG       GLN  64   6.905  -6.124   0.186
  109   1HE2  GLN  64          1HE2      GLN  64   3.744  -8.771   0.205
  110   2HE2  GLN  64          2HE2      GLN  64   4.546  -8.427   1.671
  111    H    LEU  65           H        LEU  65   9.470  -9.368   1.382
  112    HA   LEU  65           HA       LEU  65  12.221  -8.293   1.082
  113   1HB   LEU  65          2HB       LEU  65  11.576 -10.450   2.287
  114   2HB   LEU  65          3HB       LEU  65  11.202 -11.113   0.696
  115    HG   LEU  65           HG       LEU  65  13.851  -9.781   1.047
  116   1HD1  LEU  65          3HD1      LEU  65  13.521 -11.247   3.073
  117   2HD1  LEU  65          1HD1      LEU  65  13.316 -12.615   1.978
  118   3HD1  LEU  65          2HD1      LEU  65  14.852 -11.751   2.031
  119   1HD2  LEU  65          3HD2      LEU  65  12.550 -11.855  -0.645
  120   2HD2  LEU  65          1HD2      LEU  65  13.715 -10.608  -1.091
  121   3HD2  LEU  65          2HD2      LEU  65  14.265 -12.087  -0.303
  122    H    GLN  66           H        GLN  66   9.478  -9.028  -0.822
  123    HA   GLN  66           HA       GLN  66  11.133  -9.193  -3.313
  124   1HB   GLN  66          2HB       GLN  66   9.219 -10.308  -4.258
  125   2HB   GLN  66          3HB       GLN  66   9.456 -10.997  -2.652
  126   1HG   GLN  66          2HG       GLN  66   7.832  -8.926  -2.023
  127   2HG   GLN  66          3HG       GLN  66   7.268  -9.263  -3.661
  128   1HE2  GLN  66          1HE2      GLN  66   6.522 -12.780  -2.648
  129   2HE2  GLN  66          2HE2      GLN  66   7.528 -12.050  -3.804
  130    H    SER  67           H        SER  67   8.823  -7.263  -1.570
  131    HA   SER  67           HA       SER  67   9.191  -4.955  -3.244
  132   1HB   SER  67          2HB       SER  67   7.021  -4.989  -4.389
  133   2HB   SER  67          3HB       SER  67   7.903  -6.465  -4.767
  134    HG   SER  67           HG       SER  67   6.683  -7.525  -3.179
  135    H    TYR  68           H        TYR  68   5.979  -4.771  -2.617
  136    HA   TYR  68           HA       TYR  68   6.053  -4.475   0.298
  137   1HB   TYR  68          2HB       TYR  68   5.581  -1.999   0.119
  138   2HB   TYR  68          3HB       TYR  68   7.216  -2.471  -0.359
  139    HD1  TYR  68           HD1      TYR  68   7.890  -2.465  -2.719
  140    HD2  TYR  68           HD2      TYR  68   3.939  -1.270  -1.527
  141    HE1  TYR  68           HE1      TYR  68   7.518  -1.465  -4.957
  142    HE2  TYR  68           HE2      TYR  68   3.570  -0.265  -3.766
  143    HH   TYR  68           HH       TYR  68   4.521   0.297  -5.707
  144    H    ILE  69           H        ILE  69   3.951  -4.371   1.147
  145    HA   ILE  69           HA       ILE  69   1.718  -4.336  -0.863
  146    HB   ILE  69           HB       ILE  69   2.437  -6.199   1.378
  147   1HG1  ILE  69          2HG1      ILE  69   1.406  -6.416  -1.457
  148   2HG1  ILE  69          3HG1      ILE  69   2.972  -6.937  -0.834
  149   1HG2  ILE  69          3HG2      ILE  69   0.153  -5.304   1.909
  150   2HG2  ILE  69          1HG2      ILE  69  -0.384  -5.837   0.315
  151   3HG2  ILE  69          2HG2      ILE  69   0.144  -7.022   1.509
  152   1HD1  ILE  69          3HD1      ILE  69   1.305  -8.351   0.785
  153   2HD1  ILE  69          1HD1      ILE  69   0.340  -8.285  -0.690
  154   3HD1  ILE  69          2HD1      ILE  69   1.960  -8.981  -0.727
  155    H    CYS  70           H        CYS  70   0.365  -2.645  -0.442
  156    HA   CYS  70           HA       CYS  70   0.543  -1.168   2.057
  157   1HB   CYS  70          2HB       CYS  70  -1.324  -1.013  -0.317
  158   2HB   CYS  70          3HB       CYS  70  -1.194   0.207   0.948
  159    H    PHE  71           H        PHE  71  -1.019  -1.037   3.688
  160    HA   PHE  71           HA       PHE  71  -3.020  -3.258   3.737
  161   1HB   PHE  71          2HB       PHE  71  -1.512  -1.628   5.778
  162   2HB   PHE  71          3HB       PHE  71  -2.962  -2.521   6.247
  163    HD1  PHE  71           HD1      PHE  71  -0.051  -3.206   3.971
  164    HD2  PHE  71           HD2      PHE  71  -2.458  -4.551   7.264
  165    HE1  PHE  71           HE1      PHE  71   1.272  -5.302   4.082
  166    HE2  PHE  71           HE2      PHE  71  -1.135  -6.647   7.375
  167    HZ   PHE  71           HZ       PHE  71   0.729  -7.022   5.784
  168    H    CYS  72           H        CYS  72  -4.719  -2.216   2.575
  169    HA   CYS  72           HA       CYS  72  -5.602   0.482   3.113
  170   1HB   CYS  72          2HB       CYS  72  -7.188  -1.823   1.952
  171   2HB   CYS  72          3HB       CYS  72  -7.368  -0.103   1.594
  172    H    LEU  73           H        LEU  73  -8.267   0.428   3.557
  173    HA   LEU  73           HA       LEU  73  -8.481  -0.728   6.309
  174   1HB   LEU  73          2HB       LEU  73 -10.200   1.408   5.029
  175   2HB   LEU  73          3HB       LEU  73  -9.933   1.115   6.745
  176    HG   LEU  73           HG       LEU  73  -7.378   1.540   5.551
  177   1HD1  LEU  73          3HD1      LEU  73  -8.601   2.657   3.711
  178   2HD1  LEU  73          1HD1      LEU  73  -9.415   3.691   4.886
  179   3HD1  LEU  73          2HD1      LEU  73  -7.672   3.820   4.658
  180   1HD2  LEU  73          1HD2      LEU  73  -8.027   2.025   7.890
  181   2HD2  LEU  73          2HD2      LEU  73  -7.349   3.456   7.113
  182   3HD2  LEU  73          3HD2      LEU  73  -9.093   3.313   7.325
  183    HA   PRO  74           HA       PRO  74 -11.958  -3.244   5.402
  184   1HB   PRO  74          2HB       PRO  74 -13.935  -1.545   6.800
  185   2HB   PRO  74          3HB       PRO  74 -13.409  -3.199   7.174
  186   1HG   PRO  74          2HG       PRO  74 -12.709  -1.084   8.680
  187   2HG   PRO  74          3HG       PRO  74 -11.666  -2.498   8.468
  188   1HD   PRO  74          2HD       PRO  74 -11.452   0.205   7.247
  189   2HD   PRO  74          3HD       PRO  74 -10.168  -0.920   7.745
  190    H    ALA  75           H        ALA  75 -12.048   0.048   4.509
  191    HA   ALA  75           HA       ALA  75 -14.552  -0.077   2.976
  192   1HB   ALA  75          1HB       ALA  75 -12.304   1.889   3.403
  193   2HB   ALA  75          2HB       ALA  75 -13.547   2.191   2.190
  194   3HB   ALA  75          3HB       ALA  75 -13.993   2.032   3.889
  195    H    PHE  76           H        PHE  76 -11.071  -0.293   2.339
  196    HA   PHE  76           HA       PHE  76 -11.692  -0.931  -0.518
  197   1HB   PHE  76          2HB       PHE  76  -9.070   0.052   0.633
  198   2HB   PHE  76          3HB       PHE  76  -9.591   0.084  -1.055
  199    HD1  PHE  76           HD1      PHE  76 -10.367   1.463   2.328
  200    HD2  PHE  76           HD2      PHE  76 -10.789   1.932  -1.921
  201    HE1  PHE  76           HE1      PHE  76 -11.352   3.713   2.673
  202    HE2  PHE  76           HE2      PHE  76 -11.774   4.181  -1.576
  203    HZ   PHE  76           HZ       PHE  76 -12.055   5.072   0.722
  204    H    GLU  77           H        GLU  77  -9.728  -2.343  -1.428
  205    HA   GLU  77           HA       GLU  77  -8.429  -4.153   0.440
  206   1HB   GLU  77          2HB       GLU  77 -11.154  -4.587  -0.162
  207   2HB   GLU  77          3HB       GLU  77 -10.262  -5.797  -1.084
  208   1HG   GLU  77          2HG       GLU  77  -8.940  -6.141   1.154
  209   2HG   GLU  77          3HG       GLU  77 -10.350  -5.378   1.890
  210    H    GLY  78           H        GLY  78  -6.685  -3.477  -1.041
  211   1HA   GLY  78          2HA       GLY  78  -6.294  -5.360  -3.209
  212   2HA   GLY  78          3HA       GLY  78  -6.598  -3.731  -3.814
  213    H    ARG  79           H        ARG  79  -4.149  -4.819  -4.362
  214    HA   ARG  79           HA       ARG  79  -2.030  -4.560  -2.556
  215   1HB   ARG  79          2HB       ARG  79  -2.422  -4.905  -5.287
  216   2HB   ARG  79          3HB       ARG  79  -1.493  -3.409  -5.197
  217   1HG   ARG  79          2HG       ARG  79   0.272  -4.871  -5.121
  218   2HG   ARG  79          3HG       ARG  79  -0.121  -4.882  -3.402
  219   1HD   ARG  79          2HD       ARG  79  -0.794  -7.052  -3.479
  220   2HD   ARG  79          3HD       ARG  79  -1.748  -6.777  -4.952
  221    HE   ARG  79           HE       ARG  79   1.221  -7.179  -4.967
  222   1HH1  ARG  79          1HH2      ARG  79   1.110  -6.389  -7.488
  223   2HH1  ARG  79          2HH2      ARG  79   0.318  -7.602  -8.437
  224   1HH2  ARG  79          1HH1      ARG  79  -1.115  -9.182  -5.702
  225   2HH2  ARG  79          2HH1      ARG  79  -0.942  -9.184  -7.425
  226    H    ASN  80           H        ASN  80  -3.519  -1.979  -4.535
  227    HA   ASN  80           HA       ASN  80  -2.137   0.034  -2.786
  228   1HB   ASN  80          2HB       ASN  80  -3.120   0.226  -5.655
  229   2HB   ASN  80          3HB       ASN  80  -2.241   1.483  -4.782
  230   1HD2  ASN  80          1HD2      ASN  80   0.776  -0.701  -4.667
  231   2HD2  ASN  80          2HD2      ASN  80  -0.208   0.085  -3.516
  232    H    CYS  81           H        CYS  81  -4.775  -1.301  -2.310
  233    HA   CYS  81           HA       CYS  81  -6.932  -0.651  -1.592
  234   1HB   CYS  81          2HB       CYS  81  -5.724   2.121  -1.848
  235   2HB   CYS  81          3HB       CYS  81  -7.065   1.644  -0.807
  236    H    GLU  82           H        GLU  82  -5.912  -0.400  -4.601
  237    HA   GLU  82           HA       GLU  82  -7.668   1.556  -5.818
  238   1HB   GLU  82          2HB       GLU  82  -5.759   0.913  -7.042
  239   2HB   GLU  82          3HB       GLU  82  -6.008  -0.803  -6.700
  240   1HG   GLU  82          2HG       GLU  82  -8.078  -0.730  -8.106
  241   2HG   GLU  82          3HG       GLU  82  -7.690   0.938  -8.529
  242    H    THR  83           H        THR  83  -8.179  -1.591  -4.513
  243    HA   THR  83           HA       THR  83 -10.525  -2.197  -6.199
  244    HB   THR  83           HB       THR  83  -9.154  -3.495  -3.829
  245    HG1  THR  83           HG1      THR  83  -8.555  -4.976  -5.411
  246   1HG2  THR  83          1HG2      THR  83 -11.842  -3.866  -4.775
  247   2HG2  THR  83          2HG2      THR  83 -10.900  -5.313  -5.133
  248   3HG2  THR  83          3HG2      THR  83 -11.006  -4.718  -3.477
  249    H    HIS  84           H        HIS  84 -11.241   0.140  -5.199
  250    HA   HIS  84           HA       HIS  84 -12.208   0.438  -2.582
  251   1HB   HIS  84          2HB       HIS  84 -12.217   2.258  -4.139
  252   2HB   HIS  84          3HB       HIS  84 -13.218   1.362  -5.281
  253    HD1  HIS  84           HD1      HIS  84 -15.078   3.202  -5.197
  254    HD2  HIS  84           HD2      HIS  84 -14.315   1.386  -1.523
  255    HE1  HIS  84           HE1      HIS  84 -16.983   3.858  -3.664
  256    H    LYS  85           H        LYS  85 -13.542  -0.948  -1.483
  257    HA   LYS  85           HA       LYS  85 -15.141  -2.996  -2.624
  258   1HB   LYS  85          2HB       LYS  85 -15.348  -1.466  -0.010
  259   2HB   LYS  85          3HB       LYS  85 -16.181  -2.990  -0.339
  260   1HG   LYS  85          2HG       LYS  85 -14.041  -4.121  -0.690
  261   2HG   LYS  85          3HG       LYS  85 -13.175  -2.602  -0.462
  262   1HD   LYS  85          2HD       LYS  85 -13.705  -2.500   1.832
  263   2HD   LYS  85          3HD       LYS  85 -15.031  -3.653   1.668
  264   1HE   LYS  85          2HE       LYS  85 -13.066  -5.269   0.860
  265   2HE   LYS  85          3HE       LYS  85 -12.088  -4.172   1.856
  266   1HZ   LYS  85          1HZ       LYS  85 -14.633  -5.419   2.748
  267   2HZ   LYS  85          2HZ       LYS  85 -13.096  -6.018   3.141
  268   3HZ   LYS  85          3HZ       LYS  85 -13.573  -4.482   3.688
   
  No H/Q in entry =         268
  Start of MODEL   22
    1   1H    SER  45          1H        SER  45   9.631   2.456  -7.883
    2   2H    SER  45          3H        SER  45   8.551   3.570  -7.195
    3   3H    SER  45          2H        SER  45   9.186   3.852  -8.746
    4    HA   SER  45           HA       SER  45  10.497   5.246  -7.470
    5   1HB   SER  45          2HB       SER  45   9.325   4.221  -5.427
    6   2HB   SER  45          3HB       SER  45  10.638   3.046  -5.394
    7    HG   SER  45           HG       SER  45  11.222   5.788  -5.567
    8    H    ASP  46           H        ASP  46  12.866   4.488  -6.195
    9    HA   ASP  46           HA       ASP  46  14.115   2.459  -8.002
   10   1HB   ASP  46          2HB       ASP  46  14.249   4.975  -8.706
   11   2HB   ASP  46          3HB       ASP  46  15.423   5.106  -7.397
   12    H    GLY  47           H        GLY  47  14.342   1.053  -6.161
   13   1HA   GLY  47          2HA       GLY  47  15.854   0.168  -4.540
   14   2HA   GLY  47          3HA       GLY  47  16.609   1.758  -4.414
   15    H    ASP  48           H        ASP  48  13.233   0.652  -3.983
   16    HA   ASP  48           HA       ASP  48  13.001   0.718  -1.216
   17   1HB   ASP  48          2HB       ASP  48  13.438   3.354  -2.430
   18   2HB   ASP  48          3HB       ASP  48  11.991   3.281  -1.423
   19    H    GLN  49           H        GLN  49  11.037  -0.157  -0.984
   20    HA   GLN  49           HA       GLN  49   9.037  -0.155  -3.080
   21   1HB   GLN  49          2HB       GLN  49   8.572  -0.926  -0.213
   22   2HB   GLN  49          3HB       GLN  49   7.916  -1.667  -1.668
   23   1HG   GLN  49          2HG       GLN  49   9.582  -3.177  -1.568
   24   2HG   GLN  49          3HG       GLN  49  10.711  -1.871  -1.930
   25   1HE2  GLN  49          1HE2      GLN  49  10.923  -1.367   1.852
   26   2HE2  GLN  49          2HE2      GLN  49  10.160  -0.443   0.639
   27    H    CYS  50           H        CYS  50   8.688   0.912   0.319
   28    HA   CYS  50           HA       CYS  50   6.467   2.687  -0.404
   29   1HB   CYS  50          2HB       CYS  50   6.968   1.238   1.743
   30   2HB   CYS  50          3HB       CYS  50   7.897   2.652   2.241
   31    H    ALA  51           H        ALA  51   7.261   4.423  -1.648
   32    HA   ALA  51           HA       ALA  51   9.646   5.913  -0.700
   33   1HB   ALA  51          1HB       ALA  51   8.268   5.373  -3.174
   34   2HB   ALA  51          2HB       ALA  51   8.402   7.117  -2.953
   35   3HB   ALA  51          3HB       ALA  51   9.851   6.112  -2.940
   36    H    SER  52           H        SER  52   6.514   7.057  -1.995
   37    HA   SER  52           HA       SER  52   6.402   9.010   0.285
   38   1HB   SER  52          2HB       SER  52   6.338   9.277  -2.638
   39   2HB   SER  52          3HB       SER  52   5.009  10.116  -1.842
   40    HG   SER  52           HG       SER  52   6.410  11.382  -0.806
   41    H    SER  53           H        SER  53   5.131   6.696   0.815
   42    HA   SER  53           HA       SER  53   3.003   5.873   1.446
   43   1HB   SER  53          2HB       SER  53   2.891   8.676   1.343
   44   2HB   SER  53          3HB       SER  53   1.468   8.140   0.454
   45    HG   SER  53           HG       SER  53   1.087   6.719   2.300
   46    HA   PRO  54           HA       PRO  54   2.256   4.948  -3.030
   47   1HB   PRO  54          2HB       PRO  54   2.633   2.242  -2.801
   48   2HB   PRO  54          3HB       PRO  54   3.953   3.384  -3.130
   49   1HG   PRO  54          2HG       PRO  54   3.203   2.036  -0.595
   50   2HG   PRO  54          3HG       PRO  54   4.801   2.472  -1.216
   51   1HD   PRO  54          2HD       PRO  54   3.447   3.872   0.729
   52   2HD   PRO  54          3HD       PRO  54   4.718   4.558  -0.307
   53    H    CYS  55           H        CYS  55   0.812   4.409  -0.076
   54    HA   CYS  55           HA       CYS  55  -1.312   2.582  -1.027
   55   1HB   CYS  55          2HB       CYS  55  -1.205   4.085   1.591
   56   2HB   CYS  55          3HB       CYS  55  -1.928   2.510   1.262
   57    H    GLN  56           H        GLN  56  -3.604   3.271  -0.863
   58    HA   GLN  56           HA       GLN  56  -3.975   6.221  -1.186
   59   1HB   GLN  56          2HB       GLN  56  -5.128   3.913  -2.778
   60   2HB   GLN  56          3HB       GLN  56  -5.633   5.593  -2.967
   61   1HG   GLN  56          2HG       GLN  56  -3.606   6.243  -3.899
   62   2HG   GLN  56          3HG       GLN  56  -2.715   4.933  -3.121
   63   1HE2  GLN  56          1HE2      GLN  56  -2.793   3.439  -6.356
   64   2HE2  GLN  56          2HE2      GLN  56  -1.823   4.269  -5.223
   65    H    ASN  57           H        ASN  57  -6.598   6.518  -1.224
   66    HA   ASN  57           HA       ASN  57  -8.441   6.620   0.268
   67   1HB   ASN  57          2HB       ASN  57  -7.815   3.669  -0.041
   68   2HB   ASN  57          3HB       ASN  57  -9.315   4.276   0.662
   69   1HD2  ASN  57          1HD2      ASN  57  -8.973   4.125  -3.335
   70   2HD2  ASN  57          2HD2      ASN  57  -7.864   3.376  -2.277
   71    H    GLY  58           H        GLY  58  -5.937   7.034   1.607
   72   1HA   GLY  58          2HA       GLY  58  -5.010   7.002   3.763
   73   2HA   GLY  58          3HA       GLY  58  -6.660   6.719   4.317
   74    H    GLY  59           H        GLY  59  -4.293   4.763   2.467
   75   1HA   GLY  59          2HA       GLY  59  -4.957   2.490   4.286
   76   2HA   GLY  59          3HA       GLY  59  -4.305   2.313   2.653
   77    H    SER  60           H        SER  60  -3.179   1.199   5.112
   78    HA   SER  60           HA       SER  60  -0.836   2.803   5.826
   79   1HB   SER  60          2HB       SER  60  -1.599  -0.091   6.334
   80   2HB   SER  60          3HB       SER  60  -0.309   0.779   7.159
   81    HG   SER  60           HG       SER  60  -2.868   0.702   7.777
   82    H    CYS  61           H        CYS  61   1.403   1.902   5.502
   83    HA   CYS  61           HA       CYS  61   1.637   0.543   2.834
   84   1HB   CYS  61          2HB       CYS  61   2.360   2.939   3.022
   85   2HB   CYS  61          3HB       CYS  61   3.534   2.451   4.242
   86    H    LYS  62           H        LYS  62   2.308  -1.561   3.122
   87    HA   LYS  62           HA       LYS  62   3.939  -2.254   5.516
   88   1HB   LYS  62          2HB       LYS  62   1.834  -3.487   4.698
   89   2HB   LYS  62          3HB       LYS  62   2.842  -4.092   3.381
   90   1HG   LYS  62          2HG       LYS  62   3.703  -5.665   4.731
   91   2HG   LYS  62          3HG       LYS  62   4.275  -4.417   5.840
   92   1HD   LYS  62          2HD       LYS  62   1.921  -4.335   6.787
   93   2HD   LYS  62          3HD       LYS  62   1.575  -5.784   5.841
   94   1HE   LYS  62          2HE       LYS  62   2.660  -7.110   7.332
   95   2HE   LYS  62          3HE       LYS  62   4.067  -6.028   7.364
   96   1HZ   LYS  62          3HZ       LYS  62   2.553  -4.462   8.651
   97   2HZ   LYS  62          1HZ       LYS  62   1.543  -5.806   8.893
   98   3HZ   LYS  62          2HZ       LYS  62   3.136  -5.819   9.484
   99    H    ASP  63           H        ASP  63   6.061  -2.968   5.340
  100    HA   ASP  63           HA       ASP  63   7.271  -2.919   2.594
  101   1HB   ASP  63          2HB       ASP  63   8.638  -2.465   5.259
  102   2HB   ASP  63          3HB       ASP  63   9.233  -2.034   3.655
  103    H    GLN  64           H        GLN  64   7.641  -5.009   1.943
  104    HA   GLN  64           HA       GLN  64   8.491  -6.999   4.019
  105   1HB   GLN  64          2HB       GLN  64   7.778  -8.227   1.526
  106   2HB   GLN  64          3HB       GLN  64   6.948  -8.348   3.073
  107   1HG   GLN  64          2HG       GLN  64   5.699  -6.271   2.559
  108   2HG   GLN  64          3HG       GLN  64   6.524  -6.169   1.002
  109   1HE2  GLN  64          1HE2      GLN  64   3.711  -9.129   1.545
  110   2HE2  GLN  64          2HE2      GLN  64   4.492  -8.463   2.909
  111    H    LEU  65           H        LEU  65  10.210  -5.038   2.512
  112    HA   LEU  65           HA       LEU  65  12.397  -5.082   1.637
  113   1HB   LEU  65          2HB       LEU  65  11.878  -7.660   2.838
  114   2HB   LEU  65          3HB       LEU  65  12.920  -7.844   1.428
  115    HG   LEU  65           HG       LEU  65  14.211  -5.804   2.435
  116   1HD1  LEU  65          3HD1      LEU  65  12.471  -5.383   4.185
  117   2HD1  LEU  65          1HD1      LEU  65  12.876  -6.938   4.912
  118   3HD1  LEU  65          2HD1      LEU  65  14.077  -5.646   4.864
  119   1HD2  LEU  65          3HD2      LEU  65  14.293  -8.692   3.008
  120   2HD2  LEU  65          1HD2      LEU  65  15.591  -7.609   2.507
  121   3HD2  LEU  65          2HD2      LEU  65  15.129  -7.706   4.207
  122    H    GLN  66           H        GLN  66  11.471  -8.175   0.328
  123    HA   GLN  66           HA       GLN  66  12.258  -7.707  -2.327
  124   1HB   GLN  66          2HB       GLN  66  10.648  -9.606  -2.808
  125   2HB   GLN  66          3HB       GLN  66  11.766  -9.916  -1.480
  126   1HG   GLN  66          2HG       GLN  66   9.832 -10.516  -0.404
  127   2HG   GLN  66          3HG       GLN  66   9.752  -8.784  -0.090
  128   1HE2  GLN  66          1HE2      GLN  66   7.500 -10.029  -3.300
  129   2HE2  GLN  66          2HE2      GLN  66   9.093 -10.592  -3.136
  130    H    SER  67           H        SER  67   9.032  -7.254  -0.878
  131    HA   SER  67           HA       SER  67   8.398  -5.297  -3.035
  132   1HB   SER  67          2HB       SER  67   7.631  -7.818  -3.367
  133   2HB   SER  67          3HB       SER  67   6.365  -7.356  -2.233
  134    HG   SER  67           HG       SER  67   6.830  -6.547  -4.847
  135    H    TYR  68           H        TYR  68   5.638  -5.071  -2.202
  136    HA   TYR  68           HA       TYR  68   5.616  -4.568   0.694
  137   1HB   TYR  68          2HB       TYR  68   5.464  -2.147   0.479
  138   2HB   TYR  68          3HB       TYR  68   6.925  -2.693  -0.350
  139    HD1  TYR  68           HD1      TYR  68   6.902  -2.954  -2.857
  140    HD2  TYR  68           HD2      TYR  68   3.678  -1.098  -0.708
  141    HE1  TYR  68           HE1      TYR  68   6.079  -1.940  -4.965
  142    HE2  TYR  68           HE2      TYR  68   2.857  -0.082  -2.816
  143    HH   TYR  68           HH       TYR  68   3.926  -1.070  -5.869
  144    H    ILE  69           H        ILE  69   3.470  -4.003   1.435
  145    HA   ILE  69           HA       ILE  69   1.317  -3.991  -0.631
  146    HB   ILE  69           HB       ILE  69   1.900  -6.023   1.499
  147   1HG1  ILE  69          2HG1      ILE  69   0.415  -6.888  -0.821
  148   2HG1  ILE  69          3HG1      ILE  69   1.799  -5.916  -1.320
  149   1HG2  ILE  69          1HG2      ILE  69  -0.814  -5.010   0.709
  150   2HG2  ILE  69          2HG2      ILE  69  -0.603  -6.730   1.033
  151   3HG2  ILE  69          3HG2      ILE  69  -0.241  -5.546   2.289
  152   1HD1  ILE  69          3HD1      ILE  69   2.766  -7.562   0.742
  153   2HD1  ILE  69          1HD1      ILE  69   1.756  -8.612  -0.250
  154   3HD1  ILE  69          2HD1      ILE  69   3.094  -7.729  -0.983
  155    H    CYS  70           H        CYS  70  -0.054  -2.345  -0.140
  156    HA   CYS  70           HA       CYS  70   0.088  -1.027   2.477
  157   1HB   CYS  70          2HB       CYS  70  -1.422  -0.593  -0.099
  158   2HB   CYS  70          3HB       CYS  70  -1.639   0.444   1.310
  159    H    PHE  71           H        PHE  71  -1.345  -1.349   4.143
  160    HA   PHE  71           HA       PHE  71  -3.518  -3.325   3.779
  161   1HB   PHE  71          2HB       PHE  71  -2.066  -1.974   6.037
  162   2HB   PHE  71          3HB       PHE  71  -3.634  -2.728   6.355
  163    HD1  PHE  71           HD1      PHE  71  -0.870  -3.709   4.024
  164    HD2  PHE  71           HD2      PHE  71  -3.212  -4.749   7.472
  165    HE1  PHE  71           HE1      PHE  71   0.210  -5.940   4.085
  166    HE2  PHE  71           HE2      PHE  71  -2.131  -6.981   7.533
  167    HZ   PHE  71           HZ       PHE  71  -0.420  -7.576   5.840
  168    H    CYS  72           H        CYS  72  -4.923  -1.940   2.454
  169    HA   CYS  72           HA       CYS  72  -5.854   0.647   3.241
  170   1HB   CYS  72          2HB       CYS  72  -7.320  -1.513   1.695
  171   2HB   CYS  72          3HB       CYS  72  -7.544   0.233   1.552
  172    H    LEU  73           H        LEU  73  -8.546   0.644   3.458
  173    HA   LEU  73           HA       LEU  73  -9.001  -0.596   6.119
  174   1HB   LEU  73          2HB       LEU  73 -10.806   1.268   4.562
  175   2HB   LEU  73          3HB       LEU  73 -10.704   1.064   6.310
  176    HG   LEU  73           HG       LEU  73  -8.450   2.144   4.594
  177   1HD1  LEU  73          1HD1      LEU  73 -10.502   3.577   6.310
  178   2HD1  LEU  73          2HD1      LEU  73  -9.056   4.336   5.646
  179   3HD1  LEU  73          3HD1      LEU  73 -10.305   3.723   4.563
  180   1HD2  LEU  73          1HD2      LEU  73  -7.985   0.984   6.850
  181   2HD2  LEU  73          2HD2      LEU  73  -7.352   2.618   6.652
  182   3HD2  LEU  73          3HD2      LEU  73  -8.821   2.350   7.589
  183    HA   PRO  74           HA       PRO  74 -11.989  -3.570   4.911
  184   1HB   PRO  74          2HB       PRO  74 -14.291  -2.144   6.094
  185   2HB   PRO  74          3HB       PRO  74 -13.589  -3.712   6.545
  186   1HG   PRO  74          2HG       PRO  74 -13.323  -1.507   8.067
  187   2HG   PRO  74          3HG       PRO  74 -12.095  -2.779   7.991
  188   1HD   PRO  74          2HD       PRO  74 -12.094  -0.079   6.750
  189   2HD   PRO  74          3HD       PRO  74 -10.737  -1.040   7.380
  190    H    ALA  75           H        ALA  75 -12.424  -0.312   3.997
  191    HA   ALA  75           HA       ALA  75 -14.738  -0.713   2.247
  192   1HB   ALA  75          1HB       ALA  75 -12.705   1.475   2.731
  193   2HB   ALA  75          2HB       ALA  75 -13.979   1.631   1.520
  194   3HB   ALA  75          3HB       ALA  75 -14.399   1.444   3.222
  195    H    PHE  76           H        PHE  76 -11.209  -0.547   1.881
  196    HA   PHE  76           HA       PHE  76 -11.526  -1.211  -1.016
  197   1HB   PHE  76          2HB       PHE  76  -9.057  -0.175   0.393
  198   2HB   PHE  76          3HB       PHE  76  -9.440  -0.094  -1.329
  199    HD1  PHE  76           HD1      PHE  76 -10.356   1.216   2.024
  200    HD2  PHE  76           HD2      PHE  76 -10.805   1.657  -2.225
  201    HE1  PHE  76           HE1      PHE  76 -11.439   3.421   2.368
  202    HE2  PHE  76           HE2      PHE  76 -11.888   3.862  -1.881
  203    HZ   PHE  76           HZ       PHE  76 -12.205   4.744   0.416
  204    H    GLU  77           H        GLU  77  -9.369  -2.472  -1.740
  205    HA   GLU  77           HA       GLU  77  -8.209  -4.309   0.184
  206   1HB   GLU  77          2HB       GLU  77 -10.797  -4.867  -0.457
  207   2HB   GLU  77          3HB       GLU  77  -9.956  -5.775  -1.714
  208   1HG   GLU  77          2HG       GLU  77  -9.128  -5.973   1.181
  209   2HG   GLU  77          3HG       GLU  77 -10.409  -6.990   0.521
  210    H    GLY  78           H        GLY  78  -6.701  -2.937  -1.458
  211   1HA   GLY  78          2HA       GLY  78  -5.818  -4.907  -3.487
  212   2HA   GLY  78          3HA       GLY  78  -6.192  -3.282  -4.062
  213    H    ARG  79           H        ARG  79  -3.612  -4.248  -4.360
  214    HA   ARG  79           HA       ARG  79  -1.726  -3.832  -2.332
  215   1HB   ARG  79          2HB       ARG  79  -1.576  -3.042  -5.261
  216   2HB   ARG  79          3HB       ARG  79  -0.196  -3.369  -4.212
  217   1HG   ARG  79          2HG       ARG  79  -2.216  -5.512  -4.239
  218   2HG   ARG  79          3HG       ARG  79  -1.425  -5.248  -5.793
  219   1HD   ARG  79          2HD       ARG  79   0.489  -5.177  -3.584
  220   2HD   ARG  79          3HD       ARG  79  -0.368  -6.728  -3.682
  221    HE   ARG  79           HE       ARG  79   1.332  -5.560  -5.809
  222   1HH1  ARG  79          1HH1      ARG  79  -1.277  -7.667  -5.110
  223   2HH1  ARG  79          2HH1      ARG  79  -0.769  -8.898  -6.217
  224   1HH2  ARG  79          1HH2      ARG  79   2.164  -7.268  -7.095
  225   2HH2  ARG  79          2HH2      ARG  79   1.180  -8.672  -7.341
  226    H    ASN  80           H        ASN  80  -3.562  -1.440  -4.158
  227    HA   ASN  80           HA       ASN  80  -2.327   0.701  -2.462
  228   1HB   ASN  80          2HB       ASN  80  -3.035   0.838  -5.413
  229   2HB   ASN  80          3HB       ASN  80  -2.275   2.118  -4.465
  230   1HD2  ASN  80          1HD2      ASN  80   0.937   0.843  -5.106
  231   2HD2  ASN  80          2HD2      ASN  80  -0.058   2.194  -4.796
  232    H    CYS  81           H        CYS  81  -4.843  -0.703  -2.035
  233    HA   CYS  81           HA       CYS  81  -7.126  -0.229  -1.634
  234   1HB   CYS  81          2HB       CYS  81  -6.172   2.640  -1.813
  235   2HB   CYS  81          3HB       CYS  81  -7.469   1.994  -0.806
  236    H    GLU  82           H        GLU  82  -5.931  -0.084  -4.520
  237    HA   GLU  82           HA       GLU  82  -7.665   1.818  -5.911
  238   1HB   GLU  82          2HB       GLU  82  -5.557   1.344  -6.889
  239   2HB   GLU  82          3HB       GLU  82  -5.750  -0.397  -6.660
  240   1HG   GLU  82          2HG       GLU  82  -7.567  -0.424  -8.320
  241   2HG   GLU  82          3HG       GLU  82  -7.404   1.319  -8.538
  242    H    THR  83           H        THR  83  -7.930  -1.462  -4.796
  243    HA   THR  83           HA       THR  83 -10.097  -2.164  -6.675
  244    HB   THR  83           HB       THR  83  -8.751  -3.511  -4.317
  245    HG1  THR  83           HG1      THR  83  -7.783  -3.198  -6.526
  246   1HG2  THR  83          3HG2      THR  83 -11.316  -4.055  -5.432
  247   2HG2  THR  83          1HG2      THR  83 -10.224  -5.339  -5.952
  248   3HG2  THR  83          2HG2      THR  83 -10.430  -4.999  -4.234
  249    H    HIS  84           H        HIS  84 -11.084   0.016  -5.522
  250    HA   HIS  84           HA       HIS  84 -12.222   0.078  -2.995
  251   1HB   HIS  84          2HB       HIS  84 -12.486   1.905  -4.509
  252   2HB   HIS  84          3HB       HIS  84 -13.264   0.884  -5.718
  253    HD1  HIS  84           HD1      HIS  84 -15.709   1.307  -5.802
  254    HD2  HIS  84           HD2      HIS  84 -14.234   1.695  -1.923
  255    HE1  HIS  84           HE1      HIS  84 -17.694   1.874  -4.334
  256    H    LYS  85           H        LYS  85 -13.219  -1.649  -1.998
  257    HA   LYS  85           HA       LYS  85 -14.473  -3.862  -3.180
  258   1HB   LYS  85          2HB       LYS  85 -15.076  -2.403  -0.584
  259   2HB   LYS  85          3HB       LYS  85 -15.584  -4.057  -0.947
  260   1HG   LYS  85          2HG       LYS  85 -13.314  -4.820  -1.070
  261   2HG   LYS  85          3HG       LYS  85 -12.691  -3.171  -1.043
  262   1HD   LYS  85          2HD       LYS  85 -12.609  -3.246   1.202
  263   2HD   LYS  85          3HD       LYS  85 -14.354  -3.498   1.250
  264   1HE   LYS  85          2HE       LYS  85 -12.329  -5.728   0.839
  265   2HE   LYS  85          3HE       LYS  85 -13.101  -5.344   2.391
  266   1HZ   LYS  85          3HZ       LYS  85 -15.264  -5.433   1.053
  267   2HZ   LYS  85          1HZ       LYS  85 -14.362  -6.278  -0.113
  268   3HZ   LYS  85          2HZ       LYS  85 -14.525  -6.909   1.453
   
  No H/Q in entry =         268
  Start of MODEL   23
    1   1H    SER  45          3H        SER  45  16.410  -4.998  -2.723
    2   2H    SER  45          2H        SER  45  17.499  -5.000  -4.027
    3   3H    SER  45          1H        SER  45  17.268  -3.586  -3.119
    4    HA   SER  45           HA       SER  45  16.022  -3.212  -5.056
    5   1HB   SER  45          2HB       SER  45  16.140  -6.025  -5.055
    6   2HB   SER  45          3HB       SER  45  14.422  -5.636  -5.023
    7    HG   SER  45           HG       SER  45  15.215  -5.689  -7.154
    8    H    ASP  46           H        ASP  46  15.561  -2.624  -2.290
    9    HA   ASP  46           HA       ASP  46  12.776  -1.918  -2.326
   10   1HB   ASP  46          2HB       ASP  46  12.132  -3.537  -0.453
   11   2HB   ASP  46          3HB       ASP  46  12.374  -4.268  -2.040
   12    H    GLY  47           H        GLY  47  12.098  -1.302   0.079
   13   1HA   GLY  47          2HA       GLY  47  13.014  -0.681   2.314
   14   2HA   GLY  47          3HA       GLY  47  14.518  -0.254   1.495
   15    H    ASP  48           H        ASP  48  12.423   0.785  -0.679
   16    HA   ASP  48           HA       ASP  48  11.868   3.397   0.688
   17   1HB   ASP  48          2HB       ASP  48  13.106   2.846  -2.027
   18   2HB   ASP  48          3HB       ASP  48  12.622   4.448  -1.470
   19    H    GLN  49           H        GLN  49  10.567   0.787  -0.898
   20    HA   GLN  49           HA       GLN  49   8.845   1.579  -2.888
   21   1HB   GLN  49          2HB       GLN  49   8.412  -0.151  -0.459
   22   2HB   GLN  49          3HB       GLN  49   7.242  -0.070  -1.776
   23   1HG   GLN  49          2HG       GLN  49   8.547  -1.310  -3.161
   24   2HG   GLN  49          3HG       GLN  49  10.016  -0.465  -2.674
   25   1HE2  GLN  49          1HE2      GLN  49  10.171  -2.671   0.368
   26   2HE2  GLN  49          2HE2      GLN  49   9.972  -0.994   0.130
   27    H    CYS  50           H        CYS  50   8.312   2.088   0.603
   28    HA   CYS  50           HA       CYS  50   5.847   3.620   0.125
   29   1HB   CYS  50          2HB       CYS  50   6.134   2.136   2.067
   30   2HB   CYS  50          3HB       CYS  50   7.534   3.072   2.591
   31    H    ALA  51           H        ALA  51   8.043   4.808  -1.225
   32    HA   ALA  51           HA       ALA  51   9.172   6.962   0.405
   33   1HB   ALA  51          1HB       ALA  51   9.559   5.698  -2.140
   34   2HB   ALA  51          2HB       ALA  51   9.383   7.433  -2.405
   35   3HB   ALA  51          3HB       ALA  51  10.630   6.830  -1.314
   36    H    SER  52           H        SER  52   7.111   7.028  -2.534
   37    HA   SER  52           HA       SER  52   6.071   9.685  -1.695
   38   1HB   SER  52          2HB       SER  52   6.993   8.909  -4.032
   39   2HB   SER  52          3HB       SER  52   5.390   8.206  -4.228
   40    HG   SER  52           HG       SER  52   4.802  10.496  -3.385
   41    H    SER  53           H        SER  53   5.243   7.084  -0.390
   42    HA   SER  53           HA       SER  53   3.235   6.100   0.377
   43   1HB   SER  53          2HB       SER  53   2.197   8.717  -0.758
   44   2HB   SER  53          3HB       SER  53   1.316   7.680   0.359
   45    HG   SER  53           HG       SER  53   2.676   8.207   1.943
   46    HA   PRO  54           HA       PRO  54   2.253   4.784  -3.954
   47   1HB   PRO  54          2HB       PRO  54   2.733   2.115  -3.498
   48   2HB   PRO  54          3HB       PRO  54   3.983   3.258  -4.033
   49   1HG   PRO  54          2HG       PRO  54   3.467   2.144  -1.332
   50   2HG   PRO  54          3HG       PRO  54   5.000   2.569  -2.109
   51   1HD   PRO  54          2HD       PRO  54   3.747   4.106  -0.208
   52   2HD   PRO  54          3HD       PRO  54   4.894   4.735  -1.411
   53    H    CYS  55           H        CYS  55   1.021   4.414  -0.864
   54    HA   CYS  55           HA       CYS  55  -1.177   2.571  -1.667
   55   1HB   CYS  55          2HB       CYS  55  -0.715   3.869   1.026
   56   2HB   CYS  55          3HB       CYS  55  -1.533   2.344   0.675
   57    H    GLN  56           H        GLN  56  -3.433   3.275  -1.141
   58    HA   GLN  56           HA       GLN  56  -3.799   6.234  -1.086
   59   1HB   GLN  56          2HB       GLN  56  -4.997   4.235  -3.028
   60   2HB   GLN  56          3HB       GLN  56  -5.460   5.935  -2.935
   61   1HG   GLN  56          2HG       GLN  56  -3.291   6.665  -3.598
   62   2HG   GLN  56          3HG       GLN  56  -2.599   5.060  -3.357
   63   1HE2  GLN  56          1HE2      GLN  56  -3.412   3.975  -6.607
   64   2HE2  GLN  56          2HE2      GLN  56  -2.566   3.684  -5.154
   65    H    ASN  57           H        ASN  57  -6.354   6.600  -0.979
   66    HA   ASN  57           HA       ASN  57  -8.289   6.381   0.356
   67   1HB   ASN  57          2HB       ASN  57  -7.437   3.500  -0.057
   68   2HB   ASN  57          3HB       ASN  57  -9.001   3.973   0.607
   69   1HD2  ASN  57          1HD2      ASN  57  -8.579   3.914  -3.359
   70   2HD2  ASN  57          2HD2      ASN  57  -7.519   3.134  -2.273
   71    H    GLY  58           H        GLY  58  -5.818   6.888   1.751
   72   1HA   GLY  58          2HA       GLY  58  -5.007   6.906   3.951
   73   2HA   GLY  58          3HA       GLY  58  -6.600   6.325   4.433
   74    H    GLY  59           H        GLY  59  -4.620   4.522   2.165
   75   1HA   GLY  59          2HA       GLY  59  -4.601   2.263   4.066
   76   2HA   GLY  59          3HA       GLY  59  -4.106   2.193   2.370
   77    H    SER  60           H        SER  60  -2.709   1.403   4.976
   78    HA   SER  60           HA       SER  60  -0.429   3.227   5.192
   79   1HB   SER  60          2HB       SER  60  -0.892   0.406   6.213
   80   2HB   SER  60          3HB       SER  60   0.342   1.522   6.792
   81    HG   SER  60           HG       SER  60  -2.403   1.481   7.224
   82    H    CYS  61           H        CYS  61   1.849   2.211   4.938
   83    HA   CYS  61           HA       CYS  61   1.926   0.569   2.426
   84   1HB   CYS  61          2HB       CYS  61   3.941   1.882   1.881
   85   2HB   CYS  61          3HB       CYS  61   2.580   2.957   2.191
   86    H    LYS  62           H        LYS  62   2.709  -1.458   2.893
   87    HA   LYS  62           HA       LYS  62   4.561  -1.779   5.215
   88   1HB   LYS  62          2HB       LYS  62   2.432  -3.110   4.964
   89   2HB   LYS  62          3HB       LYS  62   3.134  -3.846   3.524
   90   1HG   LYS  62          2HG       LYS  62   4.419  -5.240   4.740
   91   2HG   LYS  62          3HG       LYS  62   4.971  -3.927   5.784
   92   1HD   LYS  62          2HD       LYS  62   2.459  -4.124   6.694
   93   2HD   LYS  62          3HD       LYS  62   2.666  -5.785   6.135
   94   1HE   LYS  62          2HE       LYS  62   4.918  -5.731   7.433
   95   2HE   LYS  62          3HE       LYS  62   4.238  -4.309   8.251
   96   1HZ   LYS  62          3HZ       LYS  62   2.138  -5.905   8.305
   97   2HZ   LYS  62          1HZ       LYS  62   3.356  -7.090   8.330
   98   3HZ   LYS  62          2HZ       LYS  62   3.303  -5.905   9.542
   99    H    ASP  63           H        ASP  63   6.595  -2.791   4.936
  100    HA   ASP  63           HA       ASP  63   7.570  -2.912   2.106
  101   1HB   ASP  63          2HB       ASP  63   9.793  -2.540   3.213
  102   2HB   ASP  63          3HB       ASP  63   8.641  -1.242   3.534
  103    H    GLN  64           H        GLN  64   7.479  -5.051   1.462
  104    HA   GLN  64           HA       GLN  64   8.229  -7.156   3.447
  105   1HB   GLN  64          2HB       GLN  64   7.332  -8.233   0.936
  106   2HB   GLN  64          3HB       GLN  64   6.538  -8.316   2.503
  107   1HG   GLN  64          2HG       GLN  64   5.529  -6.072   2.074
  108   2HG   GLN  64          3HG       GLN  64   6.269  -6.078   0.472
  109   1HE2  GLN  64          1HE2      GLN  64   3.800  -8.174  -0.930
  110   2HE2  GLN  64          2HE2      GLN  64   5.197  -7.230  -1.185
  111    H    LEU  65           H        LEU  65   9.355  -9.116   2.196
  112    HA   LEU  65           HA       LEU  65  11.909  -8.085   1.249
  113   1HB   LEU  65          2HB       LEU  65  10.998 -10.310   2.571
  114   2HB   LEU  65          3HB       LEU  65  11.300 -10.953   0.957
  115    HG   LEU  65           HG       LEU  65  13.392  -9.165   2.085
  116   1HD1  LEU  65          1HD1      LEU  65  12.781 -11.938   3.133
  117   2HD1  LEU  65          2HD1      LEU  65  14.376 -11.201   3.270
  118   3HD1  LEU  65          3HD1      LEU  65  12.989 -10.453   4.062
  119   1HD2  LEU  65          1HD2      LEU  65  13.468 -10.315  -0.166
  120   2HD2  LEU  65          2HD2      LEU  65  14.845 -10.673   0.876
  121   3HD2  LEU  65          3HD2      LEU  65  13.548 -11.854   0.691
  122    H    GLN  66           H        GLN  66   9.006  -9.194  -0.247
  123    HA   GLN  66           HA       GLN  66  10.323  -9.686  -2.860
  124   1HB   GLN  66          2HB       GLN  66   7.401  -9.748  -2.034
  125   2HB   GLN  66          3HB       GLN  66   8.095 -10.460  -3.492
  126   1HG   GLN  66          2HG       GLN  66   9.368 -12.051  -2.189
  127   2HG   GLN  66          3HG       GLN  66   8.904 -11.259  -0.683
  128   1HE2  GLN  66          1HE2      GLN  66   6.592 -14.122  -1.025
  129   2HE2  GLN  66          2HE2      GLN  66   8.245 -13.889  -0.721
  130    H    SER  67           H        SER  67   8.380  -7.301  -1.191
  131    HA   SER  67           HA       SER  67   9.047  -5.155  -2.949
  132   1HB   SER  67          2HB       SER  67   7.700  -6.417  -4.554
  133   2HB   SER  67          3HB       SER  67   6.378  -6.536  -3.398
  134    HG   SER  67           HG       SER  67   6.282  -4.807  -5.054
  135    H    TYR  68           H        TYR  68   5.742  -4.864  -2.343
  136    HA   TYR  68           HA       TYR  68   5.904  -4.257   0.517
  137   1HB   TYR  68          2HB       TYR  68   5.507  -1.831   0.175
  138   2HB   TYR  68          3HB       TYR  68   7.056  -2.347  -0.501
  139    HD1  TYR  68           HD1      TYR  68   7.299  -2.686  -2.960
  140    HD2  TYR  68           HD2      TYR  68   3.721  -1.050  -1.234
  141    HE1  TYR  68           HE1      TYR  68   6.600  -1.858  -5.191
  142    HE2  TYR  68           HE2      TYR  68   3.025  -0.219  -3.465
  143    HH   TYR  68           HH       TYR  68   4.043   0.368  -5.607
  144    H    ILE  69           H        ILE  69   3.814  -4.104   1.402
  145    HA   ILE  69           HA       ILE  69   1.539  -4.210  -0.546
  146    HB   ILE  69           HB       ILE  69   2.219  -6.412   0.398
  147   1HG1  ILE  69          2HG1      ILE  69  -0.383  -5.620   1.687
  148   2HG1  ILE  69          3HG1      ILE  69  -0.225  -5.659  -0.070
  149   1HG2  ILE  69          3HG2      ILE  69   3.069  -5.449   2.561
  150   2HG2  ILE  69          1HG2      ILE  69   1.393  -5.218   3.057
  151   3HG2  ILE  69          2HG2      ILE  69   2.011  -6.844   2.768
  152   1HD1  ILE  69          1HD1      ILE  69   0.959  -8.025   1.059
  153   2HD1  ILE  69          2HD1      ILE  69  -0.693  -7.849   1.655
  154   3HD1  ILE  69          3HD1      ILE  69  -0.383  -7.900  -0.081
  155    H    CYS  70           H        CYS  70   0.177  -2.508  -0.156
  156    HA   CYS  70           HA       CYS  70   0.366  -0.953   2.303
  157   1HB   CYS  70          2HB       CYS  70  -1.518  -0.866  -0.063
  158   2HB   CYS  70          3HB       CYS  70  -1.357   0.396   1.157
  159    H    PHE  71           H        PHE  71  -1.013  -1.050   4.054
  160    HA   PHE  71           HA       PHE  71  -3.043  -3.213   4.093
  161   1HB   PHE  71          2HB       PHE  71  -1.534  -1.519   6.052
  162   2HB   PHE  71          3HB       PHE  71  -3.065  -2.234   6.571
  163    HD1  PHE  71           HD1      PHE  71   0.059  -3.203   4.722
  164    HD2  PHE  71           HD2      PHE  71  -3.018  -4.378   7.480
  165    HE1  PHE  71           HE1      PHE  71   1.188  -5.387   5.053
  166    HE2  PHE  71           HE2      PHE  71  -1.890  -6.561   7.810
  167    HZ   PHE  71           HZ       PHE  71   0.213  -7.066   6.595
  168    H    CYS  72           H        CYS  72  -4.538  -2.033   2.637
  169    HA   CYS  72           HA       CYS  72  -5.598   0.560   3.163
  170   1HB   CYS  72          2HB       CYS  72  -6.988  -1.840   1.935
  171   2HB   CYS  72          3HB       CYS  72  -7.324  -0.138   1.604
  172    H    LEU  73           H        LEU  73  -8.389   0.121   3.315
  173    HA   LEU  73           HA       LEU  73  -8.675  -0.874   6.131
  174   1HB   LEU  73          2HB       LEU  73 -10.401   1.171   4.718
  175   2HB   LEU  73          3HB       LEU  73 -10.212   0.921   6.452
  176    HG   LEU  73           HG       LEU  73  -7.626   1.415   5.714
  177   1HD1  LEU  73          3HD1      LEU  73  -8.706   1.961   3.386
  178   2HD1  LEU  73          1HD1      LEU  73  -9.197   3.464   4.168
  179   3HD1  LEU  73          2HD1      LEU  73  -7.486   3.051   4.044
  180   1HD2  LEU  73          3HD2      LEU  73  -9.801   3.370   6.529
  181   2HD2  LEU  73          1HD2      LEU  73  -8.731   2.467   7.603
  182   3HD2  LEU  73          2HD2      LEU  73  -8.078   3.742   6.576
  183    HA   PRO  74           HA       PRO  74 -12.000  -3.533   5.071
  184   1HB   PRO  74          2HB       PRO  74 -14.123  -1.883   6.299
  185   2HB   PRO  74          3HB       PRO  74 -13.561  -3.506   6.747
  186   1HG   PRO  74          2HG       PRO  74 -13.039  -1.330   8.240
  187   2HG   PRO  74          3HG       PRO  74 -11.933  -2.708   8.132
  188   1HD   PRO  74          2HD       PRO  74 -11.740  -0.028   6.859
  189   2HD   PRO  74          3HD       PRO  74 -10.450  -1.093   7.465
  190    H    ALA  75           H        ALA  75 -12.146  -0.270   4.089
  191    HA   ALA  75           HA       ALA  75 -14.544  -0.523   2.407
  192   1HB   ALA  75          1HB       ALA  75 -12.459   1.528   3.066
  193   2HB   ALA  75          2HB       ALA  75 -13.431   1.758   1.612
  194   3HB   ALA  75          3HB       ALA  75 -14.215   1.644   3.189
  195    H    PHE  76           H        PHE  76 -11.036  -0.736   2.027
  196    HA   PHE  76           HA       PHE  76 -11.439  -1.352  -0.873
  197   1HB   PHE  76          2HB       PHE  76  -8.932  -0.362   0.510
  198   2HB   PHE  76          3HB       PHE  76  -9.266  -0.380  -1.225
  199    HD1  PHE  76           HD1      PHE  76 -10.330   1.125   2.015
  200    HD2  PHE  76           HD2      PHE  76 -10.443   1.400  -2.270
  201    HE1  PHE  76           HE1      PHE  76 -11.348   3.379   2.187
  202    HE2  PHE  76           HE2      PHE  76 -11.462   3.654  -2.099
  203    HZ   PHE  76           HZ       PHE  76 -11.914   4.645   0.130
  204    H    GLU  77           H        GLU  77  -9.578  -2.845  -1.688
  205    HA   GLU  77           HA       GLU  77  -8.465  -4.688   0.326
  206   1HB   GLU  77          2HB       GLU  77 -11.028  -5.109  -0.539
  207   2HB   GLU  77          3HB       GLU  77 -10.114  -6.063  -1.708
  208   1HG   GLU  77          2HG       GLU  77  -9.446  -6.293   1.209
  209   2HG   GLU  77          3HG       GLU  77 -10.852  -7.150   0.577
  210    H    GLY  78           H        GLY  78  -7.764  -2.932  -2.151
  211   1HA   GLY  78          2HA       GLY  78  -6.493  -5.042  -3.829
  212   2HA   GLY  78          3HA       GLY  78  -6.723  -3.363  -4.317
  213    H    ARG  79           H        ARG  79  -4.213  -4.400  -4.618
  214    HA   ARG  79           HA       ARG  79  -2.381  -4.299  -2.494
  215   1HB   ARG  79          2HB       ARG  79  -2.087  -3.272  -5.337
  216   2HB   ARG  79          3HB       ARG  79  -0.761  -3.752  -4.278
  217   1HG   ARG  79          2HG       ARG  79  -2.877  -5.783  -4.538
  218   2HG   ARG  79          3HG       ARG  79  -2.030  -5.432  -6.045
  219   1HD   ARG  79          2HD       ARG  79  -0.383  -5.803  -3.566
  220   2HD   ARG  79          3HD       ARG  79  -1.053  -7.242  -4.360
  221    HE   ARG  79           HE       ARG  79  -0.015  -5.691  -6.438
  222   1HH1  ARG  79          1HH1      ARG  79   1.982  -4.949  -4.249
  223   2HH1  ARG  79          2HH1      ARG  79   3.219  -6.134  -4.514
  224   1HH2  ARG  79          1HH2      ARG  79   1.217  -8.168  -6.482
  225   2HH2  ARG  79          2HH2      ARG  79   2.785  -7.956  -5.778
  226    H    ASN  80           H        ASN  80  -3.336  -1.567  -4.616
  227    HA   ASN  80           HA       ASN  80  -2.212   0.324  -2.594
  228   1HB   ASN  80          2HB       ASN  80  -2.834   0.352  -5.536
  229   2HB   ASN  80          3HB       ASN  80  -2.714   1.882  -4.665
  230   1HD2  ASN  80          1HD2      ASN  80   0.716  -0.228  -4.094
  231   2HD2  ASN  80          2HD2      ASN  80  -0.782  -0.809  -3.521
  232    H    CYS  81           H        CYS  81  -4.800  -1.050  -2.185
  233    HA   CYS  81           HA       CYS  81  -6.986  -0.483  -1.482
  234   1HB   CYS  81          2HB       CYS  81  -5.934   2.353  -1.652
  235   2HB   CYS  81          3HB       CYS  81  -7.179   1.729  -0.570
  236    H    GLU  82           H        GLU  82  -5.949  -0.149  -4.460
  237    HA   GLU  82           HA       GLU  82  -7.806   1.786  -5.615
  238   1HB   GLU  82          2HB       GLU  82  -5.801   1.432  -6.798
  239   2HB   GLU  82          3HB       GLU  82  -5.877  -0.319  -6.584
  240   1HG   GLU  82          2HG       GLU  82  -7.890  -0.364  -8.071
  241   2HG   GLU  82          3HG       GLU  82  -7.671   1.362  -8.362
  242    H    THR  83           H        THR  83  -8.037  -1.480  -4.551
  243    HA   THR  83           HA       THR  83 -10.205  -2.243  -6.387
  244    HB   THR  83           HB       THR  83  -9.085  -3.512  -3.864
  245    HG1  THR  83           HG1      THR  83  -8.389  -3.565  -6.577
  246   1HG2  THR  83          3HG2      THR  83 -11.420  -4.124  -5.242
  247   2HG2  THR  83          1HG2      THR  83 -10.238  -5.255  -5.902
  248   3HG2  THR  83          2HG2      THR  83 -10.541  -5.209  -4.165
  249    H    HIS  84           H        HIS  84 -11.302  -0.066  -5.485
  250    HA   HIS  84           HA       HIS  84 -12.436   0.211  -2.953
  251   1HB   HIS  84          2HB       HIS  84 -12.689   1.893  -4.641
  252   2HB   HIS  84          3HB       HIS  84 -13.488   0.766  -5.738
  253    HD1  HIS  84           HD1      HIS  84 -15.972   0.916  -5.735
  254    HD2  HIS  84           HD2      HIS  84 -14.363   2.204  -2.111
  255    HE1  HIS  84           HE1      HIS  84 -17.923   1.698  -4.323
  256    H    LYS  85           H        LYS  85 -13.290  -1.571  -1.876
  257    HA   LYS  85           HA       LYS  85 -14.572  -3.828  -2.884
  258   1HB   LYS  85          2HB       LYS  85 -14.983  -2.185  -0.374
  259   2HB   LYS  85          3HB       LYS  85 -15.769  -3.749  -0.613
  260   1HG   LYS  85          2HG       LYS  85 -13.627  -4.860  -0.838
  261   2HG   LYS  85          3HG       LYS  85 -12.776  -3.316  -0.809
  262   1HD   LYS  85          2HD       LYS  85 -13.240  -2.960   1.473
  263   2HD   LYS  85          3HD       LYS  85 -14.558  -4.132   1.479
  264   1HE   LYS  85          2HE       LYS  85 -11.590  -4.748   1.243
  265   2HE   LYS  85          3HE       LYS  85 -12.667  -5.174   2.587
  266   1HZ   LYS  85          3HZ       LYS  85 -14.065  -6.170   0.603
  267   2HZ   LYS  85          1HZ       LYS  85 -12.529  -6.301  -0.109
  268   3HZ   LYS  85          2HZ       LYS  85 -12.851  -7.071   1.370
   
  No H/Q in entry =         268