NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
8919 |
1n4c   |
4716 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
set message=off echo=off end ! Y182 assign (resid 182 and name HN )(resid 182 and name HB1 ) 4.57 1.01 1.30 assign (resid 182 and name HN )(resid 182 and name HB2 ) 4.00 0.89 1.14 assign (resid 182 and name HN )(resid 182 and name HD# ) 4.78 1.06 1.36 assign (resid 182 and name HD# )(resid 182 and name HN ) 4.79 1.07 1.38 assign (resid 182 and name HN )(resid 181 and name HN ) 4.23 0.94 1.21 assign (resid 181 and name HN )(resid 182 and name HN ) 4.27 0.94 1.21 assign (resid 182 and name HN )(resid 181 and name HA ) 3.00 0.66 0.84 assign (resid 181 and name HA )(resid 182 and name HN ) 3.32 0.73 0.95 assign (resid 182 and name HN )(resid 181 and name HB# ) 4.40 0.97 1.25 assign (resid 182 and name HN )(resid 181 and name HG ) 6.14 1.36 1.75 assign (resid 182 and name HN )((resid 181 and name HD1# ) or (resid 129 and name HG2# )) 4.98 1.11 1.42 assign (resid 182 and name HN )(resid 181 and name HD2# ) 6.34 1.41 1.81 assign (resid 182 and name HN )((resid 180 and name HA ) or (resid 179 and name HA )) 5.69 1.26 1.62 assign (resid 180 and name HA )(resid 182 and name HN ) 6.02 1.32 1.69 assign (resid 182 and name HN )(resid 180 and name HB1 ) 5.85 1.30 1.67 assign (resid 182 and name HN )(resid 180 and name HB2 ) 4.53 1.00 1.29 assign (resid 182 and name HN )(resid 180 and name HG# ) 6.37 1.41 1.82 assign (resid 182 and name HN )(resid 129 and name HA ) 8.65 1.92 2.47 assign (resid 182 and name HN )(resid 129 and name HB ) 9.06 2.01 2.58 assign (resid 182 and name HN )(resid 129 and name HG1# ) 8.85 1.96 2.52 assign (resid 182 and name HD# )(resid 181 and name HB1 ) 4.47 1.00 1.28 assign (resid 182 and name HD# )((resid 181 and name HB2 ) or (resid 181 and name HG )) 4.35 0.98 1.25 assign (resid 182 and name HD# )((resid 181 and name HD1# ) or (resid 129 and name HG2# )) 5.06 1.13 1.45 assign (resid 182 and name HD# )(resid 181 and name HD2# ) 5.52 1.23 1.58 assign (resid 182 and name HD# )(resid 129 and name HG1# ) 5.40 1.21 1.55 assign (resid 182 and name HE# )(resid 181 and name HD* ) 5.07 1.13 1.45 assign (resid 182 and name HE# )(resid 129 and name HG1# ) 6.22 1.39 1.79 assign (resid 129 and name HG1# )((resid 182 and name HE# ) or (resid 133 and name HE22 )) 5.01 1.10 1.41 ! L181 assign (resid 181 and name HN )(resid 181 and name HG ) 4.65 1.03 1.33 assign (resid 181 and name HN )((resid 181 and name HD1# ) or (resid 129 and name HG2# )) 4.81 1.07 1.37 assign (resid 181 and name HN )(resid 181 and name HD2# ) 5.87 1.30 1.67 assign (resid 181 and name HN )((resid 180 and name HA ) or (resid 179 and name HA )) 3.26 0.72 0.93 assign (resid 180 and name HA )(resid 181 and name HN ) 3.25 0.71 0.91 assign (resid 181 and name HN )(resid 180 and name HB1 ) 4.97 1.10 1.42 assign (resid 181 and name HN )(resid 180 and name HB2 ) 4.62 1.03 1.32 assign (resid 181 and name HN )(resid 180 and name HD1 ) 7.28 1.61 2.08 assign (resid 181 and name HN )(resid 130 and name HA ) 7.35 1.63 2.10 assign (resid 181 and name HN )(resid 129 and name HA ) 5.30 1.18 1.51 assign (resid 181 and name HN )(resid 129 and name HB ) 7.46 1.66 2.13 assign (resid 181 and name HN )(resid 129 and name HG1# ) 7.34 1.63 2.09 ! P180 assign (resid 179 and name HN )(resid 180 and name HD1 ) 6.25 1.39 1.78 assign (resid 179 and name HN )(resid 180 and name HD2 ) 6.45 1.43 1.84 assign (resid 179 and name HA )(resid 180 and name HD1 ) 2.98 0.65 0.83 assign (resid 179 and name HA )(resid 180 and name HD2 ) 3.15 0.69 0.88 assign (resid 178 and name HN )(resid 180 and name HD2 ) 7.36 1.64 2.10 ! K179 assign (resid 179 and name HN )(resid 179 and name HB1 ) 4.49 1.00 1.28 assign (resid 179 and name HN )(resid 179 and name HB2 ) 3.75 0.83 1.07 assign (resid 179 and name HN )(resid 179 and name HG# ) 4.48 0.99 1.28 assign (resid 179 and name HN )(resid 178 and name HN ) 4.33 0.96 1.24 assign (resid 178 and name HN )(resid 179 and name HN ) 3.80 0.84 1.08 assign (resid 179 and name HN )(resid 178 and name HA ) 3.34 0.74 0.95 assign (resid 178 and name HA )(resid 179 and name HN ) 2.70 0.59 0.77 assign (resid 179 and name HN )(resid 178 and name HB# ) 4.95 1.10 1.41 assign (resid 179 and name HN )(resid 178 and name HG1 ) 5.97 1.32 1.70 assign (resid 177 and name HN )((resid 179 or resid 171) and name HN ) 5.33 1.19 1.52 assign (resid 179 and name HN )(resid 176 and name HA ) 7.44 1.66 2.12 assign (resid 179 and name HN )(resid 173 and name HN ) 7.35 1.63 2.10 assign (resid 179 and name HN )(resid 173 and name HD# ) 6.88 1.53 1.96 assign (resid 173 and name HD# )(resid 179 and name HN ) 5.52 1.23 1.58 assign (resid 179 and name HN )(resid 173 and name HE# ) 5.79 1.03 1.65 assign (resid 173 and name HE# )(resid 179 and name HN ) 5.23 1.17 1.50 ! Q178 assign (resid 178 and name HN )(resid 178 and name HA ) 3.23 0.71 0.92 assign (resid 178 and name HA )(resid 178 and name HN ) 2.60 0.57 0.73 assign (resid 178 and name HN )(resid 178 and name HG1 ) 3.87 0.86 1.10 assign (resid 178 and name HE21 )(resid 178 and name HG1 ) 3.44 0.77 0.99 assign (resid 178 and name HE21 )(resid 178 and (name HG2 or name HB# )) 3.70 0.82 1.06 assign (resid 178 and name HE22 )(resid 178 and name HG1 ) 4.23 0.94 1.20 assign (resid 178 and name HE22 )(resid 178 and (name HG2 or name HB# )) 4.35 0.97 1.24 assign (resid 178 and name HN )(resid 177 and name HA1 ) 4.09 0.91 1.17 assign (resid 178 and name HN )(resid 177 and name HA1 ) 3.99 0.88 1.14 assign (resid 178 and name HN )((resid 176 and name HA ) or (resid 173 and name HA )) 5.62 1.25 1.60 assign (resid 178 and name HN )(resid 175 and name HA ) 5.58 1.24 1.59 assign (resid 178 and name HN )(resid 174 and name HN ) 6.15 1.37 1.75 assign (resid 174 and name HN )((resid 178 or resid 177) and name HN ) 4.61 1.02 1.32 assign (resid 178 and name HN )(resid 174 and name HA ) 4.61 1.02 1.32 assign (resid 178 and name HN )((resid 178 and name HE22 ) or (resid 173 and name HD# )) 6.02 1.34 1.74 assign (resid 174 and name HA )(resid 178 and name HG1 ) 3.32 0.73 0.93 assign (resid 174 and name HA )(resid 178 and (name HG2 or name HB# )) 3.09 0.68 0.87 assign (resid 178 and name HE21 )(resid 174 and name HA ) 5.62 1.25 1.60 assign (resid 178 and name HE21 )(resid 174 and name HG1 ) 6.83 1.52 1.95 assign (resid 178 and name HE21 )(resid 174 and (name HG2 or name HB# )) 5.70 1.27 1.63 assign (resid 178 and name HE21 )((resid 173 and name HA ) or (resid 131 and name HD1 )) 7.31 1.62 2.08 assign (resid 178 and name HE22 )(resid 174 and name HA ) 6.75 1.50 1.93 assign (resid 178 and name HE22 )(resid 174 and name HG1 ) 7.69 1.71 2.19 assign (resid 178 and name HE22 )(resid 174 and (name HG2 or name HB# )) 6.63 1.47 1.89 assign (resid 178 and name HE22 )((resid 173 and name HA ) or (resid 131 and name HD1 )) 6.80 1.51 1.94 assign (resid 178 and name HE21 )(resid 131 and name HB1 ) 7.95 1.77 2.27 assign (resid 131 and name HG2 )(resid 178 and name HE22 ) 5.95 1.32 1.70 ! G177 assign (resid 177 and name HN )(resid 177 and name HA1 ) 3.07 0.68 0.88 assign (resid 177 and name HN )(resid 177 and name HA2 ) 2.95 0.65 0.84 assign (resid 177 and name HN )(resid 176 and name HN ) 3.34 0.74 0.95 assign (resid 177 and name HN )(resid 176 and name HA ) 3.57 0.79 1.02 assign (resid 176 and name HN )(resid 177 and name HA1 ) 5.94 1.32 1.69 assign (resid 177 and name HN )((resid 176 and name HB1 ) or (resid 178 and name HG1 )) 3.67 0.82 1.05 assign (resid 177 and name HN )((resid 176 and name HB2 ) or (resid 178 and (name HG2 or name HB# ))) 3.84 0.85 1.10 assign (resid 177 and name HN )(resid 176 and name HG1 ) 5.76 1.28 1.64 assign (resid 177 and name HN )(resid 176 and name HG2 ) 6.05 1.34 1.73 assign (resid 177 and name HN )(resid 175 and name HA ) 4.87 1.08 1.39 assign (resid 177 and name HN )(resid 175 and name HB# ) 5.46 1.21 1.56 assign (resid 177 and name HN )(resid 174 and name HA ) 5.01 1.11 1.43 assign (resid 177 and name HN )(resid 174 and (name HB# or name HG2 )) 6.09 1.35 1.74 assign (resid 177 and name HN )(resid 172 and name HN ) 7.72 1.71 2.20 assign (resid 172 and name HN )(resid 177 and name HN ) 5.58 1.24 1.59 ! Q176 assign (resid 176 and name HN )((resid 176 or resid 172) and name HA ) 2.91 0.65 0.83 assign (resid 176 and name HN )(resid 176 and name HB1 ) 3.23 0.72 0.92 assign (resid 176 and name HN )(resid 176 and name HG1 ) 3.32 0.74 0.95 assign (resid 176 and name HN )(resid 176 and name HG2 ) 3.55 0.79 1.01 assign (resid 176 and name HN )((resid 176 and name HE22 ) or (resid 173 and name HD# )) 5.71 1.27 1.63 assign (resid 176 and name HE21 )((resid 176 or resid 172) and name HA ) 5.49 1.22 1.57 assign (resid 176 and name HE21 )(resid 176 and name HB1 ) 5.91 1.31 1.69 assign (resid 176 and name HE21 )(resid 176 and name HB2 ) 6.11 1.35 1.74 assign (resid 176 and name HE21 )((resid 176 or resid 172) and name HG1 ) 3.79 0.97 1.11 assign (resid 176 and name HE21 )(resid 176 and name HG2 ) 4.07 0.92 1.18 assign (resid 176 and name HE21 )(resid 172 and name HG2 ) 5.02 1.11 1.43 assign (resid 176 and name HE22 )((resid 176 or resid 172) and name HA ) 5.96 1.32 1.70 assign (resid 176 and name HE22 )(resid 176 and name HB1 ) 6.36 1.41 1.74 assign (resid 176 and name HE22 )(resid 176 and name HB2 ) 6.03 1.34 1.72 assign (resid 176 and name HE22 )((resid 176 or resid 172) and name HG1 ) 4.36 1.08 1.27 assign (resid 176 and name HE22 )(resid 176 and name HG2 ) 4.73 1.08 1.38 assign (resid 176 and name HE22 )(resid 172 and name HG2 ) 6.19 1.37 1.77 assign (resid 176 and name HN )(resid 175 and name HN ) 2.89 0.64 0.82 assign (resid 175 and name HN )((resid 176 or resid 173 ) and name HN ) 2.94 0.65 0.84 assign (resid 176 and name HN )(resid 175 and name HA ) 3.45 0.77 0.98 assign (resid 175 and name HA )(resid 176 and name HN ) 3.16 0.69 0.88 assign (resid 176 and name HN )(resid 175 and name HB# ) 3.24 0.72 0.92 assign (resid 176 and name HN )(resid 174 and name HA ) 4.89 1.09 1.40 assign (resid 173 and name HA )(resid 176 and name HB2 ) 3.05 0.67 0.85 assign (resid 173 and name HA )(resid 176 and name HG2 ) 3.76 0.82 1.05 assign (resid 175 and name HN )(resid 176 and name HG1 ) 5.44 1.21 1.55 assign (resid 104 and name HN )((resid 176 and name HE22 ) or (resid 173 and name HD# )) 4.58 1.02 1.31 assign (resid 103 and name HN )((resid 176 and name HE22 ) or (resid 173 and name HD# )) 4.94 1.10 1.41 ! N175 assign (resid 175 and name HN )(resid 175 and name HA ) 2.82 0.63 0.80 assign (resid 175 and name HN )(resid 175 and name HB# ) 2.48 0.55 0.71 assign (resid 175 and name HN )((resid 175 and name HD21 ) or (resid 172 and name HN )) 4.32 0.96 1.23 assign (resid 172 and name HN )(resid 175 and name HN ) 4.44 0.99 1.27 assign (resid 175 and name HD21 )(resid 175 and name HN ) 6.30 1.40 1.80 assign (resid 175 and name HN )(resid 175 and name HD22 ) 5.04 1.12 1.44 assign (resid 175 and name HD21 )(resid 175 and name HA ) 5.38 1.19 1.53 assign (resid 175 and name HD21 )(resid 175 and name HB# ) 3.41 0.76 0.97 assign (resid 175 and name HD22 )(resid 175 and name HA ) 5.74 1.28 1.64 assign (resid 175 and name HD22 )(resid 175 and name HB# ) 3.87 0.86 1.12 assign (resid 175 and name HN )(resid 174 and name HN ) 3.20 0.71 0.91 assign (resid 174 and name HN )(resid 175 and name HN ) 3.30 0.73 0.94 assign (resid 175 and name HN )(resid 174 and name HA ) 3.50 0.78 1.00 assign (resid 174 and name HA )(resid 175 and name HN ) 3.45 0.76 0.97 assign (resid 175 and name HN )(resid 174 and (name HB# or name HG2 )) 2.90 0.64 0.83 assign (resid 172 and name HA )(resid 175 and name HB# ) 2.91 0.64 0.81 assign (resid 175 and name HN )((resid 173 and name HD# ) or (resid 176 and name HE22 )) 5.36 1.19 1.53 assign (resid 175 and name HN )((resid 172 or resid 173) and name HA ) 3.35 0.74 0.96 assign (resid 172 and name HA )(resid 175 and name HN ) 3.17 0.69 0.89 assign (resid 175 and name HD21 )(resid 174 and (name HB# or name HG2 )) 6.75 1.50 1.93 assign (resid 175 and name HD21 )(resid 174 and (name HB# or name HG2 )) 7.40 1.64 2.11 assign (resid 175 and name HD21 )(resid 172 and name HA ) 5.94 1.32 1.69 assign (resid 175 and name HD22 )(resid 172 and name HA ) 6.27 1.39 1.79 assign (resid 175 and name HD21 )(resid 171 and (name HA or name HB2 )) 7.12 1.58 2.03 assign (resid 175 and name HD22 )(resid 171 and (name HA or name HB2 )) 6.92 1.54 1.97 assign (resid 175 and name HN )(resid 171 and (name HA or name HB2 )) 4.11 0.91 1.17 ! E174 assign (resid 174 and name HN )(resid 174 and name HA ) 2.93 0.65 0.84 assign (resid 174 and name HA )(resid 174 and name HN ) 3.09 0.68 0.87 assign (resid 174 and name HN )(resid 174 and name HG1 ) 3.19 0.71 0.91 assign (resid 174 and name HN )(resid 173 and name HN ) 3.10 0.69 0.88 assign (resid 173 and name HN )(resid 174 and name HN ) 2.77 0.62 0.79 assign (resid 174 and name HN )((resid 173 or resid 170) and name HA ) 3.35 0.74 0.96 assign (resid 173 and name HA )(resid 174 and name HN ) 4.44 0.97 1.24 assign (resid 174 and name HN )(resid 173 and name HB1 ) 3.64 0.81 1.04 assign (resid 174 and name HN )((resid 173 and name HB2 ) or (resid 175 and name HB# )) 3.25 0.72 0.93 assign (resid 174 and name HN )(resid 173 and name HD# ) 3.53 0.78 1.01 assign (resid 173 and name HD# )(resid 174 and name HN ) 3.60 0.80 1.03 assign (resid 174 and name HN )(resid 173 and name HE# ) 5.32 1.18 1.52 assign (resid 173 and name HE# )(resid 174 and name HN ) 4.81 1.07 1.38 assign (resid 174 and name HN )((resid 172 and name HN ) or (resid 170 and name HZ2 )) 4.69 1.04 1.34 assign (resid 172 and name HN )(resid 174 and name HN ) 3.91 0.87 1.12 assign (resid 174 and name HN )(resid 171 and (name HA or name HB2 )) 3.70 0.82 1.06 assign (resid 174 and name HN )(resid 170 and name HN ) 7.01 1.56 2.00 assign (resid 174 and name HN )(resid 170 and name HD1 ) 6.81 1.51 1.94 assign (resid 174 and name HN )(resid 170 and (name HE3 or name HZ3 )) 5.94 1.32 1.69 assign (resid 174 and name HN )(resid 102 and name HG2# ) 5.11 1.13 1.46 assign (resid 170 and name HE1 )(resid 174 and name HN ) 6.56 1.46 1.87 assign (resid 170 and name HE1 )(resid 174 and name HA ) 7.25 1.61 2.07 assign (resid 170 and name HE1 )(resid 174 and name HG1 ) 4.47 0.99 1.28 assign (resid 170 and name HE1 )(resid 174 and (name HG2 or name HB# )) 4.10 0.91 1.17 assign (resid 170 and name HZ2 )(resid 174 and name HG1 ) 4.39 0.98 1.26 assign (resid 170 and name HZ2 )(resid 174 and (name HG2 or name HB# )) 4.79 1.07 1.38 ! F173 assign (resid 173 and name HA )(resid 173 and name HN ) 3.13 0.69 0.88 assign (resid 173 and name HN )(resid 173 and name HB1 ) 2.57 0.57 0.73 assign (resid 173 and name HN )(resid 173 and name HB2 ) 2.61 0.58 0.74 assign (resid 173 and name HN )(resid 173 and name HD# ) 3.34 0.75 0.96 assign (resid 173 and name HD# )(resid 173 and name HN ) 3.28 0.73 0.95 assign (resid 173 and name HA )(resid 173 and name HB1 ) 3.18 0.70 0.89 assign (resid 173 and name HA )(resid 173 and name HB2 ) 3.53 0.77 0.99 assign (resid 173 and name HN )(resid 173 and name HE# ) 4.84 1.08 1.38 assign (resid 173 and name HN )(resid 172 and name HN ) 2.79 0.62 0.80 assign (resid 172 and name HN )(resid 173 and name HN ) 3.02 0.67 0.86 assign (resid 172 and name HA )(resid 173 and name HN ) 3.69 0.81 1.03 assign (resid 173 and name HN )(resid 172 and name HB# ) 2.87 0.64 0.82 assign (resid 173 and name HN )(resid 172 and name HG1 ) 4.07 0.90 1.16 assign (resid 173 and name HN )(resid 172 and name HG2 ) 4.01 0.89 1.14 assign (resid 173 and name HN )((resid 179 or resid 171) and name HN ) 4.25 0.94 1.21 assign (resid 171 and name HN )(resid 173 and name HN ) 4.78 1.06 1.36 assign (resid 173 and name HN )(resid 170 and name HN ) 4.97 1.10 1.42 assign (resid 170 and name HN )(resid 173 and name HN ) 4.88 1.08 1.39 assign (resid 170 and name HE1 )(resid 173 and name HD# ) 5.93 1.32 1.69 assign (resid 170 and name HE1 )(resid 173 and name HE# ) 6.73 1.50 1.92 assign (resid 173 and name HD# )(resid 170 and name HZ2 ) 4.50 1.01 1.30 assign (resid 170 and name HZ2 )(resid 173 and name HD# ) 5.04 1.12 1.45 assign (resid 170 and name HH2 )(resid 173 and name HD# ) 3.45 0.77 0.99 assign (resid 173 and name HE# )(resid 170 and (name HZ3 or name HE3 )) 2.90 0.65 0.84 assign (resid 170 and name HZ3 )(resid 173 and name HE# ) 3.26 0.73 0.94 assign (resid 173 and name HN )(resid 170 and name HE3 ) 4.41 0.98 1.26 assign (resid 173 and name HN )((resid 171 and (name HA or name HB1 )) or (resid 169 and name HA )) 3.32 0.74 0.95 assign (resid 135 and name HN )(resid 173 and name HE# ) 4.93 1.09 1.41 assign (resid 134 and name HN )(resid 173 and name HE# ) 4.74 1.05 1.35 assign (resid 134 and name HN )(resid 173 and name HZ ) 4.82 1.07 1.38 assign (resid 173 and name HD# )(resid 134 and name HG2# ) 4.60 1.02 1.32 assign (resid 173 and name HE# )(resid 134 and name HA ) 4.85 1.07 1.39 assign (resid 173 and name HE# )(resid 134 and name HG1# ) 3.41 0.77 0.98 assign (resid 173 and name HE# )(resid 134 and name HG2# ) 3.91 0.88 1.13 assign (resid 134 and name HG2# )(resid 173 and name HE# ) 3.60 0.79 1.01 assign (resid 173 and name HZ )(resid 134 and name HG1# ) 3.62 0.81 1.04 assign (resid 134 and name HG1# )(resid 173 and name HZ ) 3.61 0.79 1.01 assign (resid 173 and name HZ )(resid 134 and name HG2# ) 3.35 0.75 0.97 assign (resid 132 and name HN )(resid 173 and name HE# ) 5.58 1.24 1.59 assign (resid 132 and name HN )(resid 173 and name HZ ) 5.33 1.18 1.52 assign (resid 173 and name HE# )(resid 131 and name HA ) 3.12 0.69 0.90 assign (resid 131 and name HA )(resid 173 and name HE# ) 2.93 0.64 0.82 assign (resid 173 and name HE# )(resid 131 and name HB1 ) 3.99 0.89 1.15 assign (resid 173 and name HE# )(resid 131 and (name HB2 or name HG2 )) 3.11 0.70 0.90 assign (resid 173 and name HZ )(resid 131 and name HA ) 2.48 0.55 0.71 assign (resid 131 and name HA )(resid 173 and name HZ ) 2.72 0.60 0.76 assign (resid 173 and name HZ )(resid 131 and name HA ) 3.36 0.75 0.97 assign (resid 173 and name HZ )(resid 131 and (name HB2 or name HG2 )) 2.84 0.63 0.82 assign (resid 104 and name HN )(resid 173 and name HE# ) 5.56 1.23 1.59 assign (resid 103 and name HN )(resid 173 and name HE# ) 5.18 1.15 1.48 assign (resid 102 and name HN )((resid 173 or resid 101) and name HB1 ) 3.60 0.80 1.03 assign (resid 102 and name HN )((resid 173 and name HA ) or (resid 97 and name HA1 )) 3.70 0.82 1.06 assign (resid 173 and name HN )((resid 102 and name HG12 ) or (resid 169 and name HB# )) 4.50 1.00 1.28 assign (resid 173 and name HN )(resid 102 and name HG2# ) 3.47 0.77 0.99 assign (resid 102 and name HG2# )((resid 173 or resid 103) and name HN ) 2.59 0.57 0.73 assign (resid 102 and name HG2# )(resid 173 and name HB1 ) 2.77 0.61 0.77 assign (resid 102 and name HG2# )(resid 173 and name HB2 ) 3.23 0.71 0.91 assign (resid 173 and name HD# )(resid 102 and name HG2# ) 3.50 0.78 1.01 assign (resid 102 and name HN )((resid 173 and name HD# ) or (resid 176 and name HE22 )) 3.94 0.88 1.12 assign (resid 102 and name HG2# )(resid 173 and name HD# ) 2.92 0.64 0.82 ! E172 assign (resid 172 and name HN )(resid 172 and name HA ) 2.71 0.60 0.77 assign (resid 172 and name HA )(resid 172 and name HN ) 3.11 0.69 0.89 assign (resid 172 and name HN )(resid 172 and name HB# ) 2.59 0.58 0.74 assign (resid 172 and name HN )(resid 172 and name HG1 ) 3.50 0.78 1.00 assign (resid 172 and name HN )(resid 172 and name HG2 ) 3.68 0.82 1.05 assign (resid 172 and name HA )(resid 172 and name HG2 ) 3.11 0.69 0.89 assign (resid 172 and name HN )(((resid 173 or resid 170) and name HB1 ) or (resid 100 and name HD# )) 3.88 0.86 1.11 assign (resid 172 and name HN )((resid 173 and name HB2 ) or (resid 175 and name HB# )) 4.38 0.97 1.25 assign (resid 172 and name HN )(resid 171 and name HN ) 3.01 0.67 0.86 assign (resid 171 and name HN )(resid 172 and name HN ) 3.18 0.71 0.91 assign (resid 172 and name HN )((resid 171 and name HB1 ) or ((resid 170 or resid 173) and name HA )) 3.18 0.71 0.91 assign (resid 172 and name HN )((resid 171 and (name HB2 or name HA )) or (resid 169 and name HA )) 2.80 0.62 0.80 assign (resid 172 and name HN )(resid 170 and name HN ) 5.02 1.11 1.43 assign (resid 170 and name HN )(resid 172 and name HN ) 4.25 0.94 1.21 assign (resid 172 and name HN )(resid 170 and name HB2 ) 5.19 1.15 1.48 assign (resid 172 and name HN )(resid 169 and name HN ) 5.19 1.15 1.48 assign (resid 169 and name HA )(resid 172 and name HB# ) 2.87 0.63 0.80 assign (resid 172 and name HN )(resid 168 and name HA ) 4.30 0.95 1.23 assign (resid 171 and name HN )(resid 172 and name HB# ) 4.28 0.95 1.22 assign (resid 100 and name HE )(resid 172 and name HG2 ) 4.96 1.10 1.42 ! S171 assign (resid 171 and name HA )(resid 171 and name HN ) 3.17 0.69 0.89 assign (resid 171 and name HN )(resid 170 and name HN ) 3.21 0.71 0.92 assign (resid 170 and name HN )((resid 171 or resid 168) and name HN ) 2.74 0.61 0.78 assign (resid 171 and name HN )(resid 170 and name HB1 ) 3.12 0.69 0.89 assign (resid 171 and name HN )(resid 170 and name HB2 ) 3.44 0.76 0.98 assign (resid 171 and name HN )(resid 170 and name HD1 ) 3.67 0.81 1.05 assign (resid 170 and name HD1 )(resid 171 and name HN ) 4.17 0.93 1.20 assign (resid 171 and name HN )(resid 170 and name HE1 ) 6.17 1.37 1.76 assign (resid 170 and name HE1 )(resid 171 and name HN ) 6.46 1.43 1.84 assign (resid 170 and name HE1 )(resid 171 and (name HA or name HB2 )) 4.96 1.10 1.42 assign (resid 170 and name HE1 )((resid 170 and name HA) or (resid 171 and name HB1)) 5.97 1.32 1.70 assign (resid 171 and name HN )(resid 170 and name HE3 ) 5.44 1.21 1.55 assign (resid 171 and name HN )(resid 168 and name HA ) 3.32 0.74 0.95 assign (resid 171 and name HN )(resid 167 and name HA ) 4.01 0.89 1.14 assign (resid 171 and name HN )(resid 138 and name HE# ) 5.64 1.25 1.61 assign (resid 171 and name HN )(resid 102 and name HD# ) 5.22 1.16 1.49 assign (resid 168 and name HA )(resid 171 and name HB# ) 3.51 0.77 0.98 ! W170 assign (resid 170 and name HN )(resid 170 and name HA ) 2.68 0.60 0.77 assign (resid 170 and name HA )(resid 170 and name HN ) 3.16 0.69 0.88 assign (resid 170 and name HN )(resid 170 and name HB1 ) 2.54 0.56 0.73 assign (resid 170 and name HN )(resid 170 and name HB2 ) 2.63 0.58 0.75 assign (resid 170 and name HN )(resid 170 and name HD1 ) 3.51 0.78 1.00 assign (resid 170 and name HD1 )(resid 170 and name HN ) 5.16 1.16 1.48 assign (resid 170 and name HN )(resid 170 and name HE3 ) 3.59 0.80 1.02 assign (resid 170 and name HE3 )(resid 170 and name HN ) 3.94 0.88 1.13 assign (resid 170 and name HA )(resid 170 and name HE3 ) 3.11 0.68 0.87 assign (resid 170 and name HE1 )((resid 170 and name HB1 ) or (resid 135 and name HE# )) 4.76 1.06 1.36 assign (resid 170 and name HE1 )(resid 170 and name HB2 ) 6.20 1.38 1.77 assign (resid 170 and name HE1 )(resid 170 and name HA ) 5.97 1.32 1.70 assign (resid 170 and name HZ3 )(resid 170 and name HB1 ) 3.72 0.83 1.07 assign (resid 170 and name HE3 )(resid 170 and name HB1 ) 3.17 0.71 0.91 assign (resid 170 and name HN )(resid 169 and name HN ) 2.82 0.63 0.80 assign (resid 169 and name HN )(resid 170 and name HN ) 2.86 0.64 0.82 assign (resid 170 and name HN )(resid 169 and name HA ) 2.98 0.66 0.85 assign (resid 170 and name HN )((resid 169 and name HB# ) or (resid 102 and name HG11 )) 2.82 0.63 0.80 assign (resid 169 and name HB# )((resid 170 and name HN ) or (resid 100 and name HN )) 3.23 0.71 0.91 assign (resid 168 and name HN )(resid 170 and name HN ) 4.49 1.00 1.28 assign (resid 170 and name HN )(resid 168 and name HA ) 4.19 0.93 1.20 assign (resid 167 and name HN )(resid 170 and name HN ) 5.20 1.15 1.48 assign (resid 170 and name HN )(resid 167 and name HA ) 3.03 0.67 0.86 assign (resid 170 and name HE1 )(resid 167 and name HA ) 7.03 1.56 2.01 assign (resid 167 and name HA )(resid 170 and name HB1 ) 3.08 0.67 0.86 assign (resid 139 and name HN )(resid 170 and (name HE3 or name HZ3 )) 5.37 1.19 1.53 assign (resid 138 and name HN )(resid 170 and (name HE3 or name HZ3 )) 4.12 0.92 1.18 assign (resid 170 and name HZ3 )(resid 138 and name HN ) 3.56 0.80 1.02 assign (resid 170 and name HN )(resid 138 and name HD# ) 4.48 0.99 1.28 assign (resid 170 and name HN )(resid 138 and name HE# ) 3.57 0.79 1.02 assign (resid 170 and name HD1 )(resid 138 and name HE# ) 5.00 1.12 1.44 assign (resid 138 and name HE# )(resid 170 and name HD1 ) 3.92 0.88 1.13 assign (resid 170 and name HE1 )(resid 138 and name HD# ) 6.07 1.35 1.73 assign (resid 170 and name HE1 )(resid 138 and name HE# ) 4.87 1.08 1.39 assign (resid 138 and name HE# )(resid 170 and name HE1 ) 4.43 0.99 1.27 assign (resid 170 and name HH2 )(resid 138 and name HD# ) 4.34 0.97 1.25 assign (resid 170 and name HZ3 )(resid 138 and name HD# ) 3.81 0.85 1.10 assign (resid 138 and name HD# )(resid 170 and (name HE3 or name HZ3 )) 3.48 0.78 1.00 assign (resid 170 and name HE3 )(resid 138 and name HD# ) 3.73 0.83 1.07 assign (resid 170 and name HE3 )(resid 138 and name HE# ) 4.06 0.91 1.17 assign (resid 138 and name HE# )(resid 170 and (name HE3 or name HZ3 )) 4.05 0.90 1.17 assign (resid 136 and name HN )((resid 170 and name HZ2 ) or (resid 140 and name HN )) 5.21 1.16 1.49 assign (resid 136 and name HN )(resid 170 and (name HE3 or name HZ3 )) 6.21 1.38 1.77 assign (resid 136 and name HN )(resid 170 and name HH2 ) 5.19 1.15 1.48 assign (resid 135 and name HN )(resid 170 and (name HE3 or name HZ3 )) 3.99 0.89 1.14 assign (resid 135 and name HN )(resid 170 and name HH2 ) 3.90 0.87 1.11 assign (resid 170 and name HH2 )(resid 135 and name HN ) 4.22 0.94 1.21 assign (resid 170 and name HZ2 )(resid 135 and name HA ) 5.78 1.29 1.66 assign (resid 135 and name HA )(resid 170 and (name HE3 or name HZ3 )) 3.04 0.67 0.85 assign (resid 170 and name HZ3 )(resid 135 and name HA ) 3.27 0.73 0.94 assign (resid 135 and name HA )(resid 170 and name HH2 ) 3.09 0.68 0.87 assign (resid 170 and name HH2 )(resid 135 and name HA ) 3.49 0.78 1.00 assign (resid 170 and name HH2 )(resid 135 and name HB1 ) 3.22 0.72 0.93 assign (resid 170 and name HE1 )(resid 135 and name HD# ) 6.15 1.37 1.76 assign (resid 134 and name HN )(resid 170 and (name HE3 or name HZ3 )) 5.28 1.17 1.51 assign (resid 170 and name HZ3 )(resid 134 and name HB ) 4.73 1.05 1.36 assign (resid 170 and name HE1 )(resid 134 and name HG2# ) 6.88 1.53 1.96 assign (resid 170 and name HZ3 )(resid 134 and name HG2# ) 2.91 0.65 0.84 assign (resid 134 and name HG2# )(resid 170 and (name HE3 or name HZ3 )) 2.67 0.59 0.75 assign (resid 170 and name HE3 )(resid 134 and name HG2# ) 3.62 0.80 1.04 assign (resid 106 and name HN )(resid 170 and (name HE3 or name HZ3 )) 5.46 1.21 1.56 assign (resid 170 and name HN )(resid 105 and name HD1# ) 4.97 1.10 1.42 assign (resid 170 and name HN )(resid 102 and name HG2# ) 5.15 1.14 1.47 assign (resid 170 and name HN )(resid 102 and name HD# ) 3.60 0.80 1.03 assign (resid 102 and name HD# )(resid 170 and name HN ) 3.51 0.77 0.98 assign (resid 102 and name HD# )(resid 170 and name HB1 ) 3.55 0.77 0.99 assign (resid 102 and name HD# )(resid 170 and name HB2 ) 4.41 0.97 1.23 assign (resid 170 and name HE3 )(resid 102 and name HD# ) 3.63 0.81 1.04 ! A169 assign (resid 169 and name HN )((resid 171 or resid 168) and name HN ) 2.60 0.58 0.74 assign (resid 168 and name HN )(resid 169 and name HN ) 2.85 0.63 0.81 assign (resid 169 and name HN )(resid 168 and name HA ) 3.12 0.69 0.89 assign (resid 169 and name HN )(resid 168 and name HB1 ) 2.92 0.65 0.83 assign (resid 169 and name HN )((resid 168 or resid 170) and name HB2 ) 2.89 0.64 0.82 assign (resid 169 and name HN )(resid 167 and name HA ) 3.90 0.87 1.11 assign (resid 169 and name HN )(resid 166 and name HA ) 3.56 0.79 1.02 assign (resid 169 and name HN )(resid 166 and name HD1# ) 4.62 1.03 1.32 assign (resid 169 and name HN )(resid 105 and name HD1# ) 4.06 0.90 1.16 assign (resid 166 and name HA )(resid 169 and name HB# ) 3.41 0.76 0.97 assign (resid 169 and name HB# )(resid 105 and name HD1# ) 2.47 0.54 0.69 assign (resid 105 and name HD1# )((resid 169 and name HB# ) or (resid 105 and name HB2 )) 2.09 0.46 0.59 assign (resid 103 and name HN )((resid 169 and name HB# ) or (resid 102 and name HG1# )) 4.80 1.07 1.37 assign (resid 169 and name HN )(resid 102 and name HD# ) 4.10 0.91 1.17 assign (resid 101 and name HN )((resid 169 and name HB# ) or (resid 102 and name HG1# )) 3.07 0.68 0.88 assign (resid 100 and name HN )((resid 169 and name HB# ) or (resid 102 and name HG1# )) 3.25 0.72 0.93 ! D168 assign (resid 168 and name HN )(resid 168 and name HB1 ) 2.64 0.59 0.75 assign (resid 168 and name HN )(resid 168 and name HB2 ) 2.75 0.61 0.78 assign (resid 168 and name HN )(resid 167 and name HN ) 2.85 0.63 0.81 assign (resid 167 and name HN )(resid 168 and name HN ) 2.62 0.58 0.75 assign (resid 168 and name HN )(resid 167 and name HA ) 3.31 0.74 0.94 assign (resid 167 and name HA )(resid 168 and name HN ) 3.05 0.67 0.85 assign (resid 168 and name HN )(resid 167 and name HB1 ) 3.61 0.80 1.03 assign (resid 168 and name HN )(resid 167 and name HB2 ) 3.26 0.72 0.93 assign (resid 167 and name HD21 )(resid 168 and name HN ) 5.40 1.20 1.54 assign (resid 167 and name HD21 )(resid 168 and name HA ) 6.16 1.37 1.76 assign (resid 168 and name HN )(resid 166 and name HN ) 4.82 1.07 1.38 assign (resid 166 and name HN )(resid 168 and name HN ) 4.21 0.93 1.20 assign (resid 168 and name HN )(resid 165 and name HN ) 5.94 1.32 1.69 assign (resid 168 and name HN )(resid 165 and name HA ) 3.35 0.74 0.96 assign (resid 165 and name HA )(resid 168 and name HN ) 3.39 0.74 0.95 assign (resid 165 and name HA )(resid 168 and name HB1 ) 3.44 0.75 0.96 assign (resid 164 and name HA )(resid 168 and name HN ) 5.24 1.15 1.47 ! N167 assign (resid 167 and name HA )(resid 167 and name HN ) 2.74 0.60 0.77 assign (resid 167 and name HN )(resid 167 and name HB1 ) 2.61 0.58 0.74 assign (resid 167 and name HN )(resid 167 and name HB2 ) 2.49 0.55 0.71 assign (resid 167 and name HN )(resid 167 and name HD21 ) 3.66 0.81 1.04 assign (resid 167 and name HD21 )(resid 167 and name HN ) 4.33 0.96 1.23 assign (resid 167 and name HD21 )(resid 167 and name HA ) 4.46 0.99 1.27 assign (resid 167 and name HD21 )(resid 167 and name HB1 ) 3.44 0.79 1.01 assign (resid 167 and name HD21 )(resid 167 and name HB2 ) 3.30 0.75 0.97 assign (resid 167 and name HN )(resid 167 and name HD22 ) 4.74 1.05 1.35 assign (resid 167 and name HN )(resid 166 and name HN ) 2.83 0.63 0.81 assign (resid 166 and name HN )(resid 167 and name HN ) 2.75 0.61 0.78 assign (resid 167 and name HN )(resid 166 and name HA ) 3.36 0.75 0.96 assign (resid 167 and name HN )(resid 166 and name HB1 ) 3.13 0.69 0.89 assign (resid 167 and name HN )(resid 166 and name HB2 ) 3.45 0.77 0.98 assign (resid 167 and name HN )(resid 145 and name HG2# ) 4.90 1.09 1.40 assign (resid 167 and name HN )((resid 166 and name HD* ) or (resid 142 and name HD1# )) 3.33 0.74 0.95 assign (resid 166 and name HD1# )(resid 167 and name HN ) 4.31 0.94 1.21 assign (resid 167 and name HN )(resid 165 and name HN ) 3.95 0.88 1.13 assign (resid 167 and name HN )((resid 164 or resid 163) and name HA ) 2.84 0.63 0.81 assign (resid 167 and name HN )((resid 164 or resid 163) and name HA ) 3.74 0.83 1.07 assign (resid 164 and name HA )(resid 167 and name HB1 ) 3.56 0.78 1.00 assign (resid 164 and name HA )(resid 167 and name HB2 ) 3.18 0.70 0.89 assign (resid 167 and name HD21 )(resid 164 and name HB# ) 5.94 1.32 1.69 assign (resid 167 and name HD21 )(resid 164 and name HG1 ) 6.37 1.41 1.82 assign (resid 167 and name HD21 )(resid 164 and name HG2 ) 5.40 1.20 1.54 assign (resid 167 and name HD21 )(resid 163 and name HE# ) 3.87 0.86 1.10 assign (resid 167 and name HD21 )(resid 163 and name HZ ) 3.79 0.84 1.08 assign (resid 167 and name HD21 )(resid 142 and name HG1# ) 5.07 1.13 1.45 assign (resid 167 and name HD21 )(resid 142 and name HG2# ) 5.88 1.31 1.68 assign (resid 138 and name HE# )(resid 167 and name HN ) 4.44 0.99 1.28 assign (resid 167 and name HA )(resid 138 and name HD# ) 4.13 0.90 1.16 assign (resid 167 and name HN )(resid 138 and name HE# ) 3.48 0.77 0.99 assign (resid 167 and name HA )(resid 138 and name HE# ) 3.08 0.68 0.86 assign (resid 138 and name HE# )(resid 167 and name HA ) 3.39 0.76 0.97 assign (resid 167 and name HD21 )(resid 138 and name HE# ) 3.48 0.77 0.99 ! L166 assign (resid 166 and name HN )(resid 166 and name HA ) 2.76 0.61 0.79 assign (resid 166 and name HN )(resid 166 and name HB1 ) 2.76 0.61 0.79 assign (resid 166 and name HN )(resid 166 and name HB2 ) 3.03 0.67 0.86 assign (resid 166 and name HN )(resid 166 and name HG ) 3.65 0.81 1.04 assign (resid 166 and name HN )(resid 166 and name HD* ) 2.61 0.58 0.74 assign (resid 166 and name HD1# )(resid 166 and name HN ) 3.50 0.77 0.98 assign (resid 166 and name HD2# )(resid 166 and name HN ) 3.53 0.77 0.99 assign (resid 166 and name HD1# )(resid 166 and name HA ) 2.89 0.63 0.81 assign (resid 166 and name HD2# )(resid 166 and name HA ) 2.27 0.50 0.64 assign (resid 166 and name HD1# )(resid 166 and name HB2 ) 3.08 0.67 0.86 assign (resid 166 and name HN )(resid 165 and name HN ) 2.73 0.61 0.78 assign (resid 165 and name HN )(resid 166 and name HN ) 2.94 0.65 0.84 assign (resid 165 and name HN )(resid 166 and name HD* ) 3.60 0.80 1.03 assign (resid 166 and name HN )(resid 165 and name HA ) 3.19 0.71 0.91 assign (resid 166 and name HN )(resid 165 and name HB1 ) 2.44 0.54 0.70 assign (resid 166 and name HN )(resid 165 and name HG1 ) 4.21 0.94 1.20 assign (resid 166 and name HN )(resid 165 and name HG2 ) 4.02 0.89 1.15 assign (resid 164 and name HN )(resid 166 and name HN ) 4.44 0.99 1.27 assign (resid 164 and name HN )((resid 166 and name HD* ) or (resid 142 and name HG1# )) 4.14 0.92 1.18 assign (resid 166 and name HN )((resid 163 or resid 164) and name HA ) 3.09 0.69 0.88 assign (resid 166 and name HN )(resid 162 and name HA ) 4.07 0.90 1.16 assign (resid 166 and name HD1# )(resid 142 and name HG2# ) 3.76 0.82 1.06 assign (resid 166 and name HD1# )(resid 141 and name HB# ) 2.68 0.59 0.75 assign (resid 141 and name HB# )(resid 166 and name HD* ) 2.14 0.47 0.60 assign (resid 138 and name HN )((resid 166 and name HD* ) or (resid 123 and name HG* )) 4.21 0.94 1.20 assign (resid 166 and name HN )(resid 138 and name HD# ) 5.29 1.17 1.51 assign (resid 166 and name HN )(resid 138 and name HE# ) 4.03 0.89 1.15 assign (resid 138 and name HE# )(resid 166 and name HN ) 4.22 0.94 1.21 assign (resid 138 and name HD# )(resid 166 and name HA ) 3.70 0.83 1.06 assign (resid 138 and name HE# )(resid 166 and name HA ) 4.66 1.04 1.34 assign (resid 110 and name HN )((resid 166 and name HD* ) or (resid 123 and name HG* )) 4.97 1.10 1.42 assign (resid 109 and name HN )((resid 166 and name HD* ) or (resid 123 and name HG* )) 4.03 0.89 1.15 assign (resid 108 and name HN )((resid 166 and name HD* ) or (resid 123 and name HG* )) 3.70 0.82 1.06 assign (resid 107 and name HN )((resid 166 and name HD* ) or (resid 106 and name HG )) 2.84 0.63 0.81 assign (resid 106 and name HN )((resid 166 and name HD* ) or (resid 106 and name HG )) 3.25 0.72 0.93 assign (resid 166 and name HN )(resid 105 and name HD1# ) 4.33 0.96 1.24 assign (resid 105 and name HD1# )(resid 166 and name HD* ) 2.66 0.58 0.74 assign (resid 166 and name HN )(resid 105 and name HD2# ) 4.37 0.97 1.25 assign (resid 166 and name HD1# )(resid 105 and name HD2# ) 3.88 0.85 1.09 assign (resid 166 and name HD2# )(resid 105 and name HD2# ) 3.59 0.79 1.01 assign (resid 105 and name HD2# )((resid 166 and name HD* ) or (resid 123 and name HG* )) 2.80 0.61 0.78 assign (resid 166 and name HN )(resid 102 and name HD# ) 4.26 0.95 1.22 assign (resid 166 and name HN )(resid 94 and (name HH2 or name HZ3 )) 3.80 0.84 1.08 assign (resid 166 and name HD1# )(resid 94 and name HZ2 ) 3.69 0.81 1.03 assign (resid 166 and name HD2# )(resid 94 and name HZ2 ) 3.56 0.78 1.00 assign (resid 94 and name HZ2 )(resid 166 and name HD* ) 3.19 0.72 0.92 assign (resid 166 and name HD1# )(resid 94 and (name HZ3 or name HH2 )) 3.83 0.84 1.07 assign (resid 166 and name HD2# )(resid 94 and (name HZ3 or name HH2 )) 3.25 0.71 0.91 assign (resid 94 and name HH2 )(resid 166 and name HD* ) 3.00 0.67 0.86 ! E165 assign (resid 165 and name HN )(resid 165 and name HA ) 2.82 0.63 0.81 assign (resid 165 and name HA )(resid 165 and name HN ) 3.05 0.68 0.87 assign (resid 165 and name HN )(resid 165 and name HB1 ) 2.67 0.59 0.76 assign (resid 165 and name HA )(resid 165 and name HB1 ) 2.69 0.59 0.75 assign (resid 165 and name HN )(resid 165 and name HB2 ) 3.01 0.67 0.86 assign (resid 165 and name HA )(resid 165 and name HB2 ) 3.41 0.75 0.95 assign (resid 165 and name HN )(resid 165 and name HG2 ) 3.33 0.74 0.95 assign (resid 165 and name HA )(resid 165 and name HG2 ) 3.25 0.71 0.91 assign (resid 165 and name HN )(resid 164 and name HN ) 2.97 0.66 0.85 assign (resid 164 and name HN )(resid 165 and name HN ) 2.91 0.65 0.83 assign (resid 164 and name HN )(resid 165 and name HG1 ) 4.46 0.99 1.27 assign (resid 165 and name HN )((resid 164 or resid 163) and name HA ) 3.21 0.71 0.92 assign (resid 164 and name HA )(resid 165 and name HN ) 4.01 0.88 1.12 assign (resid 165 and name HN )(resid 164 and name HB# ) 2.90 0.64 0.83 assign (resid 165 and name HN )(resid 164 and name HG1 ) 4.76 1.06 1.36 assign (resid 165 and name HN )(resid 164 and name HG2 ) 4.93 1.10 1.41 assign (resid 165 and name HN )(resid 163 and name HN ) 4.81 1.07 1.37 assign (resid 163 and name HN )((resid 165 or resid 161) and name HN ) 3.60 0.80 1.03 assign (resid 165 and name HN )(resid 162 and name HA ) 3.71 0.82 1.06 assign (resid 162 and name HA )(resid 165 and name HB2 ) 2.99 0.65 0.84 assign (resid 165 and name HN )(resid 161 and name HA ) 4.01 0.89 1.14 assign (resid 165 and name HN )(resid 105 and name HD1# ) 5.26 1.16 1.50 assign (resid 165 and name HN )(resid 94 and (name HZ3 or name HH2 )) 4.44 0.99 1.27 ! M164 assign (resid 164 and name HA )(resid 164 and name HN ) 3.02 0.66 0.85 assign (resid 164 and name HN )(resid 164 and name HB# ) 2.30 0.51 0.66 assign (resid 164 and name HN )(resid 164 and name HG1 ) 2.74 0.61 0.78 assign (resid 164 and name HN )(resid 164 and name HG2 ) 3.02 0.67 0.86 assign (resid 164 and name HE# )(resid 164 and name HN ) 5.93 1.30 1.66 assign (resid 164 and name HE# )(resid 164 and name HA ) 5.81 1.27 1.63 assign (resid 164 and name HN )(resid 163 and name HN ) 3.06 0.68 0.87 assign (resid 163 and name HN )(resid 164 and name HN ) 2.86 0.64 0.82 assign (resid 164 and name HN )(resid 163 and name HB1 ) 3.20 0.71 0.91 assign (resid 164 and name HN )(resid 163 and name HB2 ) 2.99 0.66 0.85 assign (resid 164 and name HN )(resid 163 and name HD# ) 3.11 0.69 0.89 assign (resid 163 and name HD# )(resid 164 and name HN ) 3.60 0.80 1.04 assign (resid 164 and name HN )(resid 163 and name HE# ) 4.34 0.96 1.24 assign (resid 164 and name HN )(resid 162 and name HA ) 5.02 1.11 1.43 assign (resid 164 and name HN )(resid 161 and name HA ) 3.38 0.75 0.96 assign (resid 161 and name HA )(resid 164 and name HN ) 3.66 0.80 1.02 assign (resid 164 and name HN )(resid 160 and name HA ) 3.13 0.69 0.89 assign (resid 161 and name HN )(resid 164 and name HN ) 5.07 1.13 1.45 assign (resid 160 and name HN )(resid 164 and name HN ) 5.42 1.20 1.55 assign (resid 164 and name HN )(resid 145 and name HG2# ) 4.00 0.89 1.14 assign (resid 72 and name HD1# )(resid 164 and name HE# ) 4.85 1.06 1.36 ! F163 assign (resid 163 and name HN )(resid 163 and name HA ) 2.51 0.56 0.72 assign (resid 163 and name HA )(resid 163 and name HN ) 3.25 0.71 0.91 assign (resid 163 and name HN )(resid 163 and name HB1 ) 2.55 0.57 0.73 assign (resid 163 and name HN )(resid 163 and name HB2 ) 2.60 0.58 0.74 assign (resid 163 and name HN )(resid 163 and name HD# ) 3.33 0.74 0.95 assign (resid 163 and name HD# )(resid 163 and name HN ) 3.41 0.76 0.98 assign (resid 163 and name HA )(resid 163 and name HD# ) 3.54 0.77 0.99 assign (resid 163 and name HD# )(resid 163 and name HA ) 2.85 0.64 0.82 assign (resid 163 and name HN )(resid 162 and name HN ) 2.86 0.64 0.82 assign (resid 162 and name HN )(resid 163 and name HN ) 2.84 0.63 0.81 assign (resid 163 and name HN )(resid 162 and name HA ) 3.65 0.81 1.04 assign (resid 163 and name HN )(resid 162 and name HB ) 2.73 0.61 0.78 assign (resid 163 and name HN )(resid 162 and name HG11 ) 3.99 0.89 1.14 assign (resid 162 and name HG2# )(resid 163 and name HN ) 3.36 0.73 0.94 assign (resid 163 and name HN )(resid 162 and name HD# ) 3.87 0.86 1.10 assign (resid 162 and name HD# )(resid 163 and name HN ) 3.83 0.84 1.07 assign (resid 161 and name HN )(resid 163 and name HN ) 4.86 1.08 1.39 assign (resid 160 and name HN )(resid 163 and name HN ) 5.15 1.14 1.47 assign (resid 160 and name HN )(resid 163 and name HD# ) 5.53 1.23 1.58 assign (resid 163 and name HN )((resid 161 or resid 159) and name HA ) 3.60 0.80 1.03 assign (resid 163 and name HN )(resid 160 and name HA ) 2.84 0.63 0.81 assign (resid 163 and name HN )(resid 159 and name HB# ) 4.67 1.03 1.33 assign (resid 146 and name HN )((resid 114 and name HZ2 ) or (resid 163 and name HD# )) 4.07 0.90 1.16 assign (resid 146 and name HN )(resid 163 and name HE# ) 4.12 0.92 1.18 assign (resid 146 and name HA )((resid 114 and name HZ2 ) or (resid 163 and name HD# )) 4.68 0.81 1.03 assign (resid 163 and name HE# )(resid 146 and name HE1 ) 4.71 1.04 1.36 assign (resid 163 and name HN )(resid 145 and name HB ) 3.95 0.88 1.12 assign (resid 145 and name HN )((resid 114 and name HZ2 ) or (resid 163 and name HD# )) 3.70 0.82 1.06 assign (resid 145 and name HA )((resid 114 and name HZ2 ) or (resid 163 and name HD# )) 3.40 0.75 0.95 assign (resid 145 and name HG2# )(resid 163 and name HN ) 3.08 0.67 0.86 assign (resid 145 and name HG2# )(resid 163 and name HA ) 2.61 0.57 0.73 assign (resid 145 and name HG2# )((resid 142 and name HA ) or (resid 163 and name HB1 )) 2.44 0.53 0.68 assign (resid 145 and name HG2# )(resid 163 and name HB2 ) 3.24 0.71 0.91 assign (resid 163 and name HD# )(resid 145 and name HG2# ) 2.91 0.65 0.84 assign (resid 145 and name HG2# )((resid 163 and name HD# ) or (resid 143 and name HN )) 2.73 0.60 0.76 assign (resid 163 and name HE# )(resid 145 and name HG2# ) 3.48 0.78 1.00 assign (resid 142 and name HG1# )((resid 163 and name HD# ) or (resid 143 and name HN )) 3.13 0.69 0.88 assign (resid 142 and name HG2# )((resid 163 and name HD# ) or (resid 143 and name HN )) 3.23 0.71 0.90 assign (resid 142 and name HG1# )(resid 163 and name HE# ) 3.46 0.76 0.97 assign (resid 142 and name HG2# )(resid 163 and name HE# ) 4.17 0.91 1.17 assign (resid 163 and name HD# )((resid 142 or resid 145) and name HG1# ) 2.90 0.65 0.83 assign (resid 163 and name HE# )((resid 142 or resid 145) and name HG1# ) 3.07 0.68 0.88 assign (resid 163 and name HD# )(resid 142 and name HG2# ) 3.97 0.89 1.14 assign (resid 163 and name HE# )(resid 142 and name HG2# ) 3.64 0.81 1.05 assign (resid 163 and name HZ )((resid 142 or resid 145) and name HG1# ) 3.42 0.77 0.98 assign (resid 163 and name HZ )(resid 142 and name HG2# ) 3.56 0.79 1.02 ! I162 assign (resid 162 and name HN )(resid 162 and name HA ) 2.91 0.65 0.83 assign (resid 162 and name HA )(resid 162 and name HN ) 3.28 0.72 0.92 assign (resid 162 and name HN )((resid 162 and name HG2# ) or (resid 145 and name HG1# )) 2.89 0.64 0.83 assign (resid 162 and name HG2# )(resid 162 and name HN ) 3.56 0.78 1.00 assign (resid 162 and name HA )(resid 162 and name HG2# ) 2.71 0.59 0.76 assign (resid 162 and name HG2# )(resid 162 and name HA ) 2.53 0.55 0.71 assign (resid 162 and name HG2# )(resid 162 and name HG11 ) 2.80 0.61 0.78 assign (resid 162 and name HN )(resid 162 and name HG12 ) 3.04 0.67 0.87 assign (resid 162 and name HN )(resid 162 and name HD# ) 2.98 0.66 0.85 assign (resid 162 and name HD# )(resid 162 and name HN ) 3.03 0.66 0.85 assign (resid 162 and name HD# )(resid 162 and name HA ) 3.25 0.71 0.91 assign (resid 162 and name HD# )(resid 162 and name HB ) 2.62 0.57 0.73 assign (resid 162 and name HN )(resid 161 and name HN ) 2.85 0.63 0.81 assign (resid 161 and name HN )(resid 162 and name HN ) 2.97 0.66 0.85 assign (resid 161 and name HN )(resid 162 and name HG2# ) 4.81 1.07 1.37 assign (resid 161 and name HN )(resid 162 and name HD# ) 5.05 1.12 1.44 assign (resid 162 and name HD# )(resid 161 and name HN ) 3.91 0.86 1.10 assign (resid 162 and name HN )(resid 161 and name HG1 ) 3.84 0.85 1.09 assign (resid 161 and name HE# )(resid 162 and name HN ) 5.20 1.14 1.46 assign (resid 160 and name HN )(resid 162 and name HN ) 4.50 1.00 1.28 assign (resid 162 and name HN )((resid 159 or resid 160) and name HA ) 2.86 0.63 0.82 assign (resid 159 and name HA )(resid 162 and name HN ) 3.48 0.76 0.98 assign (resid 159 and name HN )(resid 162 and name HD# ) 5.42 1.20 1.55 assign (resid 158 and name HN )(resid 162 and name HN ) 4.83 1.07 1.38 assign (resid 158 and name HN )(resid 162 and name HD# ) 5.79 1.29 1.65 assign (resid 114 and name HN )(resid 162 and name HD# ) 4.39 0.98 1.25 assign (resid 162 and name HD# )(resid 114 and name HZ3 ) 2.70 0.59 0.76 assign (resid 114 and name HZ3 )(resid 162 and name HD# ) 3.26 0.73 0.94 assign (resid 162 and name HD# )(resid 114 and name HH2 ) 3.36 0.75 0.95 assign (resid 114 and name HH2 )(resid 162 and name HD# ) 3.73 0.83 1.07 assign (resid 114 and name HE3 )(resid 162 and name HD# ) 4.20 0.94 1.21 assign (resid 113 and name HN )(resid 162 and name HD# ) 5.05 1.12 1.44 assign (resid 162 and name HD# )(resid 113 and name HD2# ) 2.92 0.64 0.82 assign (resid 112 and name HN )(resid 162 and name HD# ) 6.23 1.38 1.78 assign (resid 162 and name HG2# )(resid 112 and name HG2# ) 3.55 0.78 0.99 assign (resid 112 and name HG2# )(resid 162 and name HG2# ) 3.53 0.77 0.99 assign (resid 162 and name HD# )(resid 112 and name HG2# ) 2.77 0.61 0.78 assign (resid 112 and name HG2# )(resid 162 and name HD# ) 3.20 0.70 0.90 assign (resid 109 and name HN )(resid 162 and name HG2# ) 4.78 1.06 1.36 assign (resid 162 and name HN )((resid 94 or resid 114) and (name HH2 or name HZ3 )) 3.54 0.79 1.01 assign (resid 94 and name HZ3 )(resid 162 and name HA ) 3.13 0.70 0.90 assign (resid 162 and name HA )((resid 94 or resid 114) and (name HH2 or name HZ3 )) 3.01 0.66 0.84 assign (resid 94 and name HH2 )(resid 162 and name HA ) 3.62 0.81 1.04 assign (resid 162 and name HG2# )(resid 94 and (name HH2 or name HZ3 )) 2.55 0.56 0.71 assign (resid 94 and name HH2 )(resid 162 and name HG2# ) 3.01 0.67 0.87 assign (resid 94 and name HZ3 )(resid 162 and name HG2# ) 3.02 0.67 0.87 assign (resid 94 and name HE3 )(resid 162 and name HG2# ) 3.08 0.69 0.89 assign (resid 162 and name HN )(resid 91 and name HG2# ) 3.82 0.85 1.09 assign (resid 91 and name HG2# )(resid 162 and name HN ) 3.44 0.75 0.96 assign (resid 162 and name HN )(resid 91 and name HD# ) 3.74 0.83 1.07 assign (resid 91 and name HN )(resid 162 and name HD# ) 5.28 1.17 1.51 assign (resid 91 and name HD# )(resid 162 and name HD# ) 2.80 0.61 0.78 ! M161 assign (resid 161 and name HA )(resid 161 and name HN ) 2.82 0.62 0.80 assign (resid 161 and name HN )(resid 161 and name HB1 ) 2.80 0.62 0.80 assign (resid 161 and name HN )(resid 161 and name HB2 ) 2.99 0.66 0.85 assign (resid 161 and name HN )(resid 161 and name HG1 ) 2.56 0.57 0.73 assign (resid 161 and name HN )(resid 161 and name HE# ) 3.67 0.82 1.05 assign (resid 161 and name HE# )(resid 161 and name HN ) 4.08 0.89 1.14 assign (resid 161 and name HA )(resid 161 and name HG1 ) 3.00 0.66 0.84 assign (resid 161 and name HA )(resid 161 and name HG2 ) 2.77 0.61 0.78 assign (resid 161 and name HE# )(resid 161 and name HA ) 4.30 0.94 1.20 assign (resid 161 and name HE# )(resid 161 and name HB1 ) 3.71 0.81 1.04 assign (resid 161 and name HE# )(resid 161 and name HG1 ) 3.34 0.75 0.96 assign (resid 161 and name HE# )(resid 161 and name HG2 ) 3.35 0.76 0.97 assign (resid 161 and name HN )(resid 160 and name HN ) 2.79 0.62 0.80 assign (resid 160 and name HN )(resid 161 and name HN ) 3.14 0.70 0.90 assign (resid 160 and name HN )(resid 161 and name HB1 ) 4.94 1.10 1.41 assign (resid 160 and name HN )(resid 161 and name HG1 ) 4.30 0.95 1.23 assign (resid 159 and name HN )(resid 161 and name HN ) 5.14 1.14 1.47 assign (resid 161 and name HN )(resid 160 and name HA ) 3.39 0.75 0.97 assign (resid 161 and name HN )(resid 160 and name HB# ) 2.58 0.57 0.74 assign (resid 161 and name HN )(resid 158 and name HN ) 4.74 1.05 1.35 assign (resid 161 and name HE# )(resid 158 and name HD# ) 5.13 1.12 1.44 assign (resid 158 and name HN )(resid 161 and name HN ) 5.35 1.19 1.53 assign (resid 161 and name HN )(resid 158 and name HA ) 3.55 0.79 1.01 assign (resid 161 and name HN )(resid 157 and name HA ) 4.07 0.90 1.16 assign (resid 161 and name HN )(resid 145 and name HG1# ) 4.43 0.98 1.27 assign (resid 161 and name HE# )(resid 92 and name HN ) 4.57 1.00 1.28 assign (resid 92 and name HN )(resid 161 and name HE# ) 3.93 0.87 1.12 assign (resid 161 and name HE# )(resid 92 and name HD* ) 2.63 0.58 0.74 assign (resid 161 and name HE# )(resid 91 and name HG2# ) 3.20 0.70 0.90 assign (resid 161 and name HN )(resid 91 and name HD# ) 4.53 1.01 1.29 assign (resid 161 and name HE# )(resid 80 and name HE# ) 3.25 0.71 0.92 ! K160 assign (resid 160 and name HN )(resid 160 and name HA ) 2.84 0.63 0.81 assign (resid 160 and name HA )(resid 160 and name HN ) 2.89 0.63 0.81 assign (resid 160 and name HN )(resid 160 and name HB# ) 2.35 0.52 0.67 assign (resid 160 and name HN )(resid 159 and name HN ) 3.14 0.70 0.90 assign (resid 159 and name HN )(resid 160 and name HN ) 3.15 0.70 0.90 assign (resid 160 and name HN )(resid 159 and name HA ) 4.42 0.98 1.26 assign (resid 160 and name HN )(resid 159 and name HB# ) 2.69 0.60 0.77 assign (resid 159 and name HB# )(resid 160 and name HN ) 2.80 0.61 0.78 assign (resid 160 and name HN )(resid 158 and name HN ) 4.01 0.89 1.14 assign (resid 158 and name HN )(resid 160 and name HN ) 3.90 0.87 1.11 assign (resid 160 and name HN )(resid 158 and name HA ) 4.90 1.09 1.40 assign (resid 160 and name HN )(resid 158 and name HD# ) 4.86 1.08 1.39 assign (resid 160 and name HN )(resid 157 and name HN ) 5.48 1.22 1.56 assign (resid 157 and name HA )(resid 160 and name HN ) 4.06 0.89 1.14 assign (resid 157 and name HE22 )(resid 160 and name HE2 ) 5.22 1.16 1.49 assign (resid 157 and name HE22 )(resid 160 and name HE1 ) 5.65 1.26 1.61 assign (resid 160 and name HN )(resid 156 and name HA ) 4.54 1.01 1.30 assign (resid 160 and name HN )(resid 155 and name HD# ) 5.30 1.18 1.51 assign (resid 160 and name HN )(resid 150 and name HB# ) 4.75 1.06 1.36 ! A159 assign (resid 159 and name HN )(resid 159 and name HB# ) 2.48 0.55 0.71 assign (resid 159 and name HN )((resid 158 and name HN ) or (resid 114 and name HZ3 )) 2.71 0.60 0.77 assign (resid 158 and name HN )(resid 159 and name HN ) 2.61 0.58 0.74 assign (resid 158 and name HN )(resid 159 and name HB# ) 3.49 0.77 1.00 assign (resid 159 and name HN )(resid 158 and name HB1 ) 4.24 0.94 1.21 assign (resid 159 and name HN )((resid 158 and name HD# ) or (resid 114 and name HH2 )) 3.39 0.75 0.97 assign (resid 158 and name HD# )((resid 159 or resid 87) and name HN ) 3.76 0.84 1.08 assign (resid 159 and name HN )(resid 157 and name HN ) 4.05 0.90 1.15 assign (resid 157 and name HN )(resid 159 and name HN ) 4.20 0.93 1.20 assign (resid 157 and name HN )(resid 159 and name HB# ) 4.89 1.09 1.39 assign (resid 159 and name HN )(resid 156 and name HA ) 3.63 0.81 1.04 assign (resid 156 and name HN )(resid 159 and name HB# ) 4.41 0.98 1.26 assign (resid 159 and name HN )(resid 155 and name HD# ) 3.97 0.88 1.13 assign (resid 155 and name HD# )(resid 159 and name HN ) 4.59 1.02 1.32 assign (resid 155 and name HD# )(resid 159 and name HB# ) 3.41 0.76 0.98 assign (resid 155 and name HE# )(resid 159 and name HB# ) 4.58 1.02 1.32 assign (resid 159 and name HN )(resid 150 and name HB# ) 4.41 0.98 1.26 assign (resid 114 and name HH2 )(resid 159 and name HA ) 3.41 0.77 0.98 assign (resid 114 and name HH2 )(resid 159 and name HB# ) 3.48 0.78 1.00 assign (resid 114 and name HZ3 )(resid 159 and name HN ) 4.15 0.93 1.19 assign (resid 114 and name HZ3 )(resid 159 and name HA ) 2.95 0.66 0.85 assign (resid 114 and name HZ3 )(resid 159 and name HB# ) 3.69 0.82 1.06 ! Y158 assign (resid 158 and name HN )(resid 158 and name HA ) 2.79 0.62 0.80 assign (resid 158 and name HN )(resid 158 and name HB1 ) 3.24 0.72 0.92 assign (resid 158 and name HN )(resid 158 and name HB2 ) 3.07 0.68 0.87 assign (resid 158 and name HN )(resid 158 and name HD# ) 2.88 0.64 0.82 assign (resid 158 and name HN )(resid 157 and name HN ) 2.82 0.63 0.80 assign (resid 157 and name HN )(resid 158 and name HN ) 3.00 0.67 0.86 assign (resid 158 and name HN )(resid 157 and name HA ) 3.39 0.75 0.97 assign (resid 157 and name HA )(resid 158 and name HN ) 4.06 0.90 1.16 assign (resid 157 and name HN )(resid 158 and name HB1 ) 5.54 1.23 1.58 assign (resid 157 and name HN )(resid 158 and name HB2 ) 5.32 1.18 1.52 assign (resid 158 and name HN )((resid 157 and name HB# ) or (resid 156 and name HB2 )) 2.93 0.65 0.83 assign (resid 158 and name HN )(resid 157 and name HG# ) 3.77 0.83 1.07 assign (resid 158 and name HN )(resid 156 and name HN ) 4.61 1.02 1.31 assign (resid 156 and name HN )(resid 158 and name HN ) 4.77 1.06 1.36 assign (resid 156 and name HN )(resid 158 and name HD# ) 5.11 1.14 1.46 assign (resid 158 and name HN )(resid 156 and name HA ) 4.31 0.96 1.23 assign (resid 158 and name HN )(resid 156 and name HG# ) 4.19 0.93 1.20 assign (resid 158 and name HN )(resid 155 and name HD# ) 4.71 1.05 1.34 assign (resid 155 and name HA )(resid 158 and (name HD# or name HE# )) 2.56 0.56 0.72 assign (resid 158 and name HD# )((resid 155 or resid 158) and name HA ) 2.66 0.59 0.75 assign (resid 158 and name HD# )(resid 155 and name HB1 ) 4.32 0.97 1.24 assign (resid 158 and name HD# )(resid 155 and name HB2 ) 3.82 0.85 1.10 assign (resid 158 and name HD# )(resid 155 and name HD# ) 3.69 0.82 1.07 assign (resid 155 and name HD# )((resid 158 and name HD# ) or (resid 114 and name HH2 )) 3.25 0.72 0.93 assign (resid 158 and name HE# )(resid 155 and name HD# ) 5.10 1.14 1.47 assign (resid 155 and name HE# )((resid 158 and name HD# ) or (resid 114 and name HH2 )) 4.31 0.96 1.24 assign (resid 158 and name HN )((resid 150 and name HB# ) or (resid 91 and name HG2# )) 6.24 1.38 1.78 assign (resid 158 and name HD# )(resid 113 and name HD2# ) 3.63 0.81 1.04 assign (resid 158 and name HE# )(resid 113 and name HD2# ) 4.28 0.96 1.23 assign (resid 115 and name HN )(resid 158 and name HE# ) 5.97 1.33 1.70 assign (resid 158 and name HN )(resid 91 and name HD# ) 4.06 0.90 1.14 assign (resid 91 and name HD# )(resid 158 and name HN ) 4.09 0.90 1.15 assign (resid 91 and name HD# )(resid 158 and name HA ) 3.65 0.80 1.02 assign (resid 91 and name HD# )(resid 158 and name HB1 ) 3.36 0.74 0.94 assign (resid 91 and name HD# )((resid 158 and name HB2 ) or (resid 88 and name HE# )) 3.29 0.72 0.92 assign (resid 158 and name HD# )(resid 91 and name HG2# ) 4.33 0.97 1.24 assign (resid 158 and name HD# )(resid 91 and name HD# ) 3.63 0.81 1.04 assign (resid 91 and name HD# )(resid 158 and name HD# ) 3.08 0.68 0.86 assign (resid 91 and name HN )(resid 158 and name HE# ) 5.46 1.21 1.56 assign (resid 90 and name HN )(resid 158 and name HE# ) 5.87 1.30 1.67 assign (resid 89 and name HN )(resid 158 and name HE# ) 5.04 1.12 1.44 assign (resid 88 and name HN )(resid 158 and name HE# ) 3.47 0.77 0.99 assign (resid 158 and name HE# )(resid 88 and name HN ) 4.02 0.89 1.16 assign (resid 88 and name HA )(resid 158 and name HE# ) 3.99 0.87 1.12 assign (resid 158 and name HE# )(resid 88 and name HA ) 4.39 0.98 1.26 assign (resid 158 and name HE# )(resid 88 and name HB1 ) 3.42 0.77 0.98 assign (resid 158 and name HE# )(resid 88 and name HE# ) 3.93 0.89 1.13 assign (resid 87 and name HN )(resid 158 and name HE# ) 3.88 0.86 1.11 assign (resid 158 and name HE# )(resid 87 and name HN ) 3.79 0.84 1.09 assign (resid 158 and name HE# )(resid 87 and name HB2 ) 4.40 0.97 1.26 ! Q157 assign (resid 157 and name HN )(resid 157 and name HA ) 2.88 0.64 0.82 assign (resid 157 and name HA )(resid 157 and name HN ) 2.59 0.48 0.73 assign (resid 157 and name HN )(resid 157 and name HG# ) 3.10 0.69 0.88 assign (resid 157 and name HN )(resid 157 and name HE21 ) 5.62 1.25 1.60 assign (resid 157 and name HN )(resid 156 and name HN ) 3.40 0.75 0.97 assign (resid 156 and name HN )(resid 157 and name HN ) 3.21 0.71 0.92 assign (resid 156 and name HN )(resid 157 and name HA ) 5.00 1.11 1.43 assign (resid 157 and name HN )(resid 156 and name HA ) 3.79 0.84 1.08 assign (resid 157 and name HN )(resid 156 and name HB1 ) 3.49 0.77 1.00 assign (resid 157 and name HN )(resid 156 and name HG# ) 3.56 0.79 1.02 assign (resid 157 and name HE22 )(resid 83 and name HG# ) 5.47 1.21 1.56 assign (resid 157 and name HN )(resid 155 and name HA ) 4.17 0.93 1.19 assign (resid 157 and name HN )(resid 155 and name HD# ) 6.03 1.34 1.72 assign (resid 157 and name HN )((resid 150 and name HB# ) or (resid 153 and name HB1 )) 5.10 1.13 1.46 ! E156 assign (resid 156 and name HN )(resid 156 and name HA ) 2.73 0.61 0.78 assign (resid 156 and name HA )(resid 156 and name HN ) 2.50 0.55 0.70 assign (resid 156 and name HN )((resid 156 and name HB1 ) or (resid 155 and name HB2 )) 2.63 0.58 0.75 assign (resid 156 and name HN )((resid 156 and name HB2 ) or (resid 157 and name HB# )) 2.61 0.58 0.74 assign (resid 156 and name HN )((resid 156 and name HG# ) or (resid 153 and name HG2 )) 2.99 0.66 0.85 assign (resid 156 and name HN )(resid 155 and name HN ) 3.19 0.71 0.91 assign (resid 155 and name HN )(resid 156 and name HN ) 2.66 0.59 0.76 assign (resid 155 and name HN )(resid 156 and name HA ) 4.14 0.92 1.18 assign (resid 155 and name HN )((resid 156 and name HB1 ) or (resid 155 and name HB2 )) 3.02 0.67 0.86 assign (resid 156 and name HA )(resid 155 and name HN ) 3.65 0.80 1.02 assign (resid 156 and name HN )(resid 155 and name HA ) 3.48 0.77 0.99 assign (resid 156 and name HN )(resid 155 and name HB1 ) 4.66 1.03 1.33 assign (resid 156 and name HN )(resid 155 and name HD# ) 3.77 0.84 1.08 assign (resid 155 and name HD# )(resid 156 and name HN ) 4.25 0.95 1.22 assign (resid 156 and name HN )(resid 155 and name HE# ) 5.06 1.12 1.44 assign (resid 156 and name HN )(resid 154 and name HA ) 3.85 0.85 1.10 assign (resid 154 and name HA )(resid 156 and name HN ) 4.71 1.03 1.32 assign (resid 156 and name HN )(resid 154 and name HB1 ) 4.46 0.99 1.27 assign (resid 156 and name HN )(resid 154 and name HD1 ) 5.34 1.19 1.52 assign (resid 156 and name HN )(resid 154 and name HD2 ) 5.45 1.21 1.56 assign (resid 156 and name HN )(resid 153 and name HN ) 3.98 0.88 1.13 assign (resid 153 and name HN )(resid 156 and name HN ) 3.95 0.88 1.13 assign (resid 156 and name HN )((resid 153 and name HB1 ) or (resid 150 and name HB# )) 3.35 0.74 0.96 assign (resid 156 and name HN )(resid 153 and name HB2 ) 4.19 0.93 1.20 assign (resid 156 and name HN )(resid 152 and name HN ) 5.25 1.16 1.50 assign (resid 152 and name HN )(resid 156 and name HN ) 5.21 1.16 1.49 assign (resid 152 and name HN )(resid 156 and name HA ) 4.70 1.04 1.34 assign (resid 156 and name HA )(resid 152 and name HN ) 4.06 0.89 1.14 assign (resid 152 and name HN )(resid 156 and name HB1 ) 3.98 0.88 1.13 assign (resid 152 and name HN )(resid 156 and name HB2 ) 4.59 1.02 1.31 assign (resid 152 and name HN )(resid 156 and name HG# ) 3.55 0.79 1.01 assign (resid 151 and name HA )(resid 156 and name HB1 ) 3.70 0.81 1.04 assign (resid 151 and name HA )(resid 156 and name HG# ) 2.82 0.62 0.79 assign (resid 156 and name HN )(resid 150 and name HA ) 5.63 1.25 1.61 assign (resid 150 and name HN )(resid 156 and name HA ) 5.13 1.14 1.46 assign (resid 156 and name HA )(resid 150 and name HB# ) 2.36 0.52 0.66 assign (resid 150 and name HB# )(resid 156 and name HA ) 2.41 0.53 0.67 ! Y155 assign (resid 155 and name HN )(resid 155 and name HA ) 2.87 0.64 0.82 assign (resid 155 and name HA )(resid 155 and name HN ) 3.11 0.69 0.89 assign (resid 155 and name HN )(resid 155 and name HB1 ) 3.37 0.75 0.96 assign (resid 155 and name HN )(resid 155 and name HD# ) 2.42 0.54 0.69 assign (resid 155 and name HD# )(resid 155 and name HN ) 2.95 0.66 0.85 assign (resid 155 and name HN )(resid 155 and name HE# ) 3.10 0.69 0.89 assign (resid 155 and name HE# )(resid 155 and name HN ) 4.04 0.90 1.16 assign (resid 155 and name HN )(resid 154 and name HA ) 2.97 0.66 0.85 assign (resid 154 and name HA )(resid 155 and name HN ) 3.94 0.87 1.12 assign (resid 154 and name HA )(resid 155 and name HD# ) 4.78 1.05 1.34 assign (resid 155 and name HN )(resid 154 and name HB1 ) 3.53 0.78 1.01 assign (resid 155 and name HD# )(resid 154 and name HB1 ) 3.69 0.82 1.06 assign (resid 155 and name HD# )(resid 154 and name HB2 ) 4.68 1.04 1.34 assign (resid 155 and name HN )(resid 154 and name HD1 ) 3.66 0.81 1.04 assign (resid 155 and name HN )(resid 154 and name HD2 ) 3.36 0.75 0.96 assign (resid 155 and name HE# )(resid 154 and name HD1 ) 4.84 1.08 1.39 assign (resid 155 and name HE# )(resid 154 and name HD2 ) 5.20 1.16 1.49 assign (resid 155 and name HN )(resid 153 and name HN ) 3.97 0.88 1.13 assign (resid 153 and name HN )(resid 155 and name HN ) 5.10 1.13 1.46 assign (resid 153 and name HA )(resid 155 and name HN ) 3.67 0.80 1.03 assign (resid 155 and name HN )(resid 153 and name HB1 ) 3.02 0.67 0.86 assign (resid 155 and name HN )(resid 153 and name HB2 ) 3.44 0.76 0.98 assign (resid 153 and name HN )(resid 155 and name HD# ) 5.10 1.13 1.46 assign (resid 153 and name HN )(resid 155 and name HE# ) 4.82 1.07 1.37 assign (resid 150 and name HN )(resid 155 and name HD# ) 4.60 1.02 1.31 assign (resid 150 and name HA )(resid 155 and name HD# ) 2.96 0.65 0.83 assign (resid 155 and name HD# )(resid 150 and name HB# ) 3.54 0.79 1.02 assign (resid 150 and name HB# )(resid 155 and name HD# ) 3.30 0.72 0.92 assign (resid 155 and name HE# )(resid 150 and name HA ) 3.37 0.75 0.97 assign (resid 150 and name HB# )(resid 155 and name HE# ) 2.72 0.60 0.76 assign (resid 155 and name HE# )(resid 150 and name HB# ) 3.06 0.68 0.88 assign (resid 114 and name HD1 )(resid 155 and name HD# ) 4.89 1.09 1.41 assign (resid 155 and name HD# )(resid 114 and name HE1 ) 3.88 0.87 1.11 assign (resid 114 and name HE1 )(resid 155 and name HD# ) 3.46 0.77 0.99 assign (resid 155 and name HE# )(resid 114 and name HE1 ) 4.36 0.97 1.25 assign (resid 155 and name HD# )(resid 114 and name HZ2 ) 4.15 0.93 1.19 assign (resid 114 and name HZ2 )(resid 155 and name HD# ) 4.53 1.01 1.30 assign (resid 114 and name HH2 )(resid 155 and name HD# ) 3.93 0.88 1.13 assign (resid 155 and name HE# )(resid 114 and name HZ2 ) 4.48 1.00 1.29 assign (resid 114 and name HZ2 )(resid 155 and name HE# ) 3.98 0.89 1.14 assign (resid 114 and name HH2 )(resid 155 and name HE# ) 3.87 0.86 1.11 ! P154 assign (resid 153 and name HN )(resid 154 and name HD1 ) 4.08 0.91 1.17 assign (resid 153 and name HN )((resid 154 and name HD1 ) or (resid 152 and name HA2 )) 3.08 0.68 0.88 assign (resid 153 and name HE21 )(resid 154 and name HD1 ) 6.70 1.49 1.91 assign (resid 153 and name HE21 )(resid 154 and name HD2 ) 6.19 1.37 1.77 assign (resid 153 and name HA )(resid 154 and name HB1 ) 3.82 0.83 1.07 assign (resid 153 and name HA )(resid 154 and name HD1 ) 2.22 0.49 0.62 ! Q153 assign (resid 153 and name HN )(resid 153 and name HA ) 3.00 0.67 0.86 assign (resid 153 and name HA )(resid 153 and name HN ) 2.92 0.65 0.83 assign (resid 153 and name HN )(resid 153 and name HB1 ) 2.99 0.66 0.85 assign (resid 153 and name HN )(resid 153 and name HB2 ) 2.92 0.65 0.83 assign (resid 153 and name HN )(resid 153 and name HG1 ) 3.02 0.67 0.86 assign (resid 153 and name HA )(resid 153 and name HG1 ) 2.92 0.64 0.82 assign (resid 153 and name HA )(resid 153 and name HG2 ) 2.92 0.64 0.82 assign (resid 153 and name HN )(resid 153 and name HE21 ) 4.31 0.96 1.23 assign (resid 153 and name HE21 )(resid 153 and name HN ) 5.25 1.16 1.50 assign (resid 153 and name HE21 )(resid 153 and name HA ) 5.21 1.16 1.49 assign (resid 153 and name HE21 )(resid 153 and name HB1 ) 5.27 1.17 1.50 assign (resid 153 and name HE21 )(resid 153 and name HB2 ) 5.58 1.24 1.59 assign (resid 153 and name HE21 )(resid 153 and name HG1 ) 4.11 0.91 1.17 assign (resid 153 and name HE21 )(resid 153 and name HG2 ) 3.48 0.77 0.99 assign (resid 153 and name HE22 )(resid 153 and name HA ) 5.02 1.11 1.43 assign (resid 153 and name HE22 )(resid 153 and name HB1 ) 6.29 1.40 1.79 assign (resid 153 and name HE22 )(resid 153 and name HB2 ) 6.14 1.36 1.75 assign (resid 153 and name HE22 )(resid 153 and name HG2 ) 3.91 0.87 1.12 assign (resid 153 and name HN )(resid 153 and name HE22 ) 4.82 1.07 1.37 assign (resid 153 and name HN )(resid 152 and name HN ) 2.91 0.65 0.83 assign (resid 152 and name HN )(resid 153 and name HN ) 2.86 0.64 0.82 assign (resid 153 and name HN )(resid 152 and name HA1 ) 3.49 0.77 0.99 assign (resid 152 and name HA1 )(resid 153 and name HN ) 3.09 0.68 0.87 assign (resid 152 and name HA2 )(resid 153 and name HN ) 3.34 0.73 0.94 assign (resid 153 and name HN )(resid 151 and name HA ) 3.39 0.75 0.97 assign (resid 153 and name HN )(resid 150 and name HA ) 4.09 0.91 1.17 assign (resid 151 and name HN )(resid 153 and name HB2 ) 4.47 0.99 1.28 assign (resid 150 and name HA )(resid 153 and name HB2 ) 3.52 0.77 0.99 assign (resid 150 and name HA )(resid 153 and name HG1 ) 3.30 0.73 0.94 assign (resid 150 and name HA )(resid 153 and name HG2 ) 2.85 0.62 0.80 assign (resid 149 and name HN )((resid 150 and name HB# ) or (resid 153 and name HB1 )) 3.66 0.81 1.04 ! G152 assign (resid 152 and name HA1 )(resid 152 and name HN ) 2.51 0.55 0.70 assign (resid 152 and name HN )(resid 152 and name HA2 ) 2.51 0.56 0.72 assign (resid 152 and name HA2 )(resid 152 and name HN ) 2.33 0.51 0.65 assign (resid 152 and name HN )(resid 151 and name HN ) 3.65 0.81 1.04 assign (resid 151 and name HN )(resid 152 and name HN ) 3.53 0.78 1.01 assign (resid 152 and name HN )(resid 151 and name HA ) 2.19 0.49 0.63 assign (resid 151 and name HA )(resid 152 and name HN ) 2.30 0.50 0.64 assign (resid 151 and name HN )(resid 152 and name HA2 ) 4.38 0.97 1.25 assign (resid 152 and name HN )(resid 151 and name HG1 ) 5.42 1.20 1.55 assign (resid 152 and name HN )(resid 151 and name HG2# ) 2.84 0.63 0.81 assign (resid 151 and name HG2# )(resid 152 and name HN ) 3.28 0.72 0.92 assign (resid 150 and name HN )(resid 152 and name HN ) 6.10 1.35 1.74 assign (resid 152 and name HN )(resid 150 and name HA ) 4.10 0.91 1.17 ! T151 assign (resid 151 and name HN )(resid 151 and name HA ) 3.05 0.68 0.87 assign (resid 151 and name HA )(resid 151 and name HN ) 3.12 0.68 0.87 assign (resid 151 and name HN )(resid 151 and name HB ) 2.70 0.60 0.77 assign (resid 151 and name HG2# )(resid 151 and name HN ) 3.92 0.86 1.10 assign (resid 151 and name HA )(resid 151 and name HG2# ) 2.71 0.59 0.76 assign (resid 151 and name HG2# )(resid 151 and name HA ) 2.94 0.64 0.82 assign (resid 151 and name HN )(resid 150 and name HN ) 2.99 0.66 0.85 assign (resid 150 and name HN )(resid 151 and name HN ) 3.34 0.74 0.95 assign (resid 151 and name HA )(resid 150 and name HN ) 3.39 0.68 0.87 assign (resid 151 and name HN )(resid 150 and name HA ) 3.31 0.74 0.95 assign (resid 150 and name HA )(resid 151 and name HN ) 3.64 0.80 1.02 assign (resid 150 and name HB# )(resid 151 and name HN ) 2.97 0.65 0.83 assign (resid 151 and name HN )(resid 149 and name HA ) 3.83 0.85 1.09 assign (resid 149 and name HA )(resid 151 and name HN ) 3.90 0.85 1.09 ! A150 assign (resid 150 and name HN )(resid 150 and name HA ) 3.00 0.67 0.86 assign (resid 150 and name HA )(resid 150 and name HN ) 2.73 0.60 0.77 assign (resid 150 and name HN )(resid 150 and name HB# ) 2.56 0.57 0.73 assign (resid 150 and name HB# )(resid 150 and name HN ) 2.25 0.49 0.64 assign (resid 150 and name HN )(resid 149 and name HN ) 3.22 0.71 0.92 assign (resid 149 and name HN )(resid 150 and name HN ) 3.22 0.71 0.92 assign (resid 150 and name HN )(resid 149 and name HA ) 2.93 0.65 0.84 assign (resid 150 and name HN )((resid 149 and name HG1 or (resid 159 and name HB# ))) 4.19 0.93 1.20 assign (resid 150 and name HN )(resid 149 and name HG2 ) 4.36 0.97 1.24 assign (resid 150 and name HN )(resid 148 and name HN ) 5.35 1.19 1.53 assign (resid 148 and name HA )(resid 150 and name HB# ) 4.19 0.92 1.20 assign (resid 150 and name HN )(resid 148 and name HB# ) 4.65 1.03 1.33 assign (resid 147 and name HA )(resid 150 and name HB# ) 2.83 0.62 0.81 ! K149 assign (resid 149 and name HA )(resid 149 and name HN ) 2.62 0.57 0.73 assign (resid 149 and name HN )(resid 149 and name HB1 ) 3.00 0.67 0.86 assign (resid 149 and name HN )(resid 149 and name HB2 ) 2.71 0.60 0.77 assign (resid 149 and name HN )(resid 149 and name HG1 ) 3.29 0.73 0.94 assign (resid 149 and name HN )(resid 149 and name HG2 ) 3.35 0.74 0.96 assign (resid 149 and name HN )(resid 149 and name HD1 ) 3.90 0.87 1.11 assign (resid 149 and name HN )(resid 148 and name HN ) 4.29 0.95 1.22 assign (resid 148 and name HA )(resid 149 and name HN ) 3.23 0.71 0.90 assign (resid 149 and name HN )(resid 148 and name HB# ) 2.90 0.64 0.83 assign (resid 149 and name HN )((resid 147 or resid 143) and name HA ) 3.63 0.81 1.04 assign (resid 147 and name HA )(resid 149 and name HN ) 3.25 0.71 0.91 assign (resid 149 and name HN )(resid 146 and name HB2 ) 4.09 0.91 1.17 assign (resid 149 and name HN )((resid 146 or resid 144) and name HA ) 5.17 1.15 1.48 assign (resid 149 and name HN )(resid 145 and name HA ) 6.03 1.34 1.72 assign (resid 149 and name HN )(resid 114 and name HZ2 ) 5.24 1.16 1.50 ! D148 assign (resid 148 and name HA )(resid 148 and name HN ) 3.19 0.71 0.91 assign (resid 147 and name HA )(resid 148 and name HN ) 4.17 0.91 1.17 assign (resid 148 and name HA )(resid 147 and name HA ) 3.70 0.81 1.04 assign (resid 147 and name HA )(resid 148 and name HA ) 3.74 0.82 1.05 assign (resid 146 and name HE1 )(resid 148 and name HN ) 4.65 1.04 1.34 assign (resid 146 and name HE1 )(resid 148 and name HA ) 5.61 1.25 1.61 assign (resid 146 and name HE1 )(resid 148 and name HB# ) 3.76 0.84 1.08 ! P147 assign (resid 146 and name HA )(resid 147 and name HD1 ) 2.97 0.65 0.83 assign (resid 146 and name HA )(resid 147 and name HD1 ) 2.91 0.64 0.81 ! H146 assign (resid 146 and name HN )((resid 146 or resid 144) and name HA ) 2.94 0.65 0.84 assign (resid 146 and name HA )(resid 146 and name HN ) 3.44 0.75 0.96 assign (resid 146 and name HA )(resid 146 and name HD2 ) 3.75 0.82 1.05 assign (resid 146 and name HD2 )(resid 146 and name HA ) 4.51 1.01 1.30 assign (resid 146 and name HN )(resid 146 and name HB1 ) 3.05 0.68 0.87 assign (resid 146 and name HN )(resid 146 and name HB2 ) 2.69 0.60 0.77 assign (resid 146 and name HN )(resid 145 and name HA ) 3.56 0.79 1.02 assign (resid 145 and name HN )(resid 146 and name HB1 ) 4.83 1.07 1.38 assign (resid 145 and name HN )(resid 146 and name HB2 ) 4.91 1.09 1.40 assign (resid 146 and name HN )((resid 145 or resid 142) and name HG1# ) 3.29 0.73 0.94 assign (resid 146 and name HN )(resid 145 and name HG2# ) 3.22 0.71 0.92 assign (resid 146 and name HD2 )((resid 142 or resid 145) and name HG1# ) 3.33 0.74 0.96 assign (resid 146 and name HN )(resid 143 and name HN ) 4.27 0.95 1.22 assign (resid 143 and name HN )(resid 146 and name HN ) 4.63 1.03 1.32 assign (resid 146 and name HN )(resid 143 and name HA ) 3.17 0.70 0.91 assign (resid 146 and name HD2 )(resid 143 and name HA ) 4.56 1.02 1.31 assign (resid 146 and name HN )(resid 142 and name HA ) 4.21 0.93 1.20 assign (resid 142 and name HN )((resid 146 and name HD2 ) or (resid 120 and name HZ3 )) 4.77 1.06 1.36 assign (resid 146 and name HD2 )(resid 142 and name HA ) 5.17 1.15 1.49 assign (resid 146 and name HD2 )(resid 142 and name HG2# ) 5.80 1.30 1.67 ! V145 assign (resid 145 and name HN )(resid 145 and name HA ) 2.97 0.66 0.85 assign (resid 145 and name HA )(resid 145 and name HN ) 2.99 0.65 0.84 assign (resid 145 and name HN )(resid 145 and name HB ) 3.55 0.79 1.01 assign (resid 145 and name HN )(resid 145 and name HG1# ) 2.40 0.53 0.68 assign (resid 145 and name HG1# )(resid 145 and name HN ) 2.35 0.52 0.66 assign (resid 145 and name HN )(resid 145 and name HG2# ) 2.56 0.57 0.73 assign (resid 145 and name HG2# )(resid 145 and name HN ) 2.65 0.57 0.74 assign (resid 145 and name HG1# )(resid 145 and name HA ) 3.10 0.67 0.87 assign (resid 145 and name HA )(resid 145 and name HG2# ) 2.65 0.58 0.74 assign (resid 144 and name HN )(resid 145 and name HA ) 4.56 1.01 1.30 assign (resid 144 and name HN )(((resid 145 or resid 142) and name HG1# ) or (resid 143 and name HD* )) 3.30 0.73 0.94 assign (resid 144 and name HN )(resid 145 and name HG2# ) 3.72 0.83 1.06 assign (resid 145 and name HN )(resid 144 and name HA ) 3.21 0.71 0.92 assign (resid 145 and name HN )(resid 144 and name HB ) 2.83 0.63 0.81 assign (resid 145 and name HN )(resid 144 and name HG1# ) 3.13 0.69 0.89 assign (resid 145 and name HN )(resid 144 and name HG2# ) 3.15 0.70 0.90 assign (resid 143 and name HN )(resid 145 and name HA ) 6.07 1.35 1.73 assign (resid 145 and name HN )(resid 143 and name HA ) 3.82 0.85 1.09 assign (resid 145 and name HN )(resid 143 and name HB1 ) 4.21 0.93 1.20 assign (resid 145 and name HN )(resid 142 and name HN ) 4.92 1.09 1.40 assign (resid 145 and name HN )(resid 142 and name HA ) 3.27 0.72 0.93 assign (resid 142 and name HA )(resid 145 and name HN ) 2.94 0.64 0.82 assign (resid 142 and name HN )(resid 145 and name HG2# ) 3.89 0.86 1.11 assign (resid 145 and name HN )(resid 141 and name HA ) 4.72 1.05 1.35 assign (resid 114 and name HZ2 )(resid 145 and name HA ) 4.19 0.93 1.20 assign (resid 114 and name HZ2 )((resid 145 or resid 142) and name HG1# ) 4.03 0.90 1.16 assign (resid 145 and name HA )(resid 114 and name HH2 ) 3.11 0.68 0.87 assign (resid 114 and name HH2 )(resid 145 and name HA ) 3.10 0.69 0.89 assign (resid 114 and name HH2 )((resid 145 or resid 142) and name HG1# ) 2.71 0.61 0.78 assign (resid 145 and name HG1# )(resid 114 and name HH2 ) 2.82 0.62 0.79 assign (resid 114 and name HH2 )(resid 145 and name HG2# ) 4.04 0.90 1.16 assign (resid 114 and name HZ3 )(resid 145 and name HA ) 4.00 0.89 1.15 assign (resid 114 and name HZ3 )((resid 145 or resid 142) and name HG1# ) 2.92 0.65 0.84 assign (resid 145 and name HG1# )(resid 114 and name HZ3 ) 2.74 0.60 0.77 assign (resid 114 and name HZ3 )((resid 145 or resid 162) and name HG2# ) 3.66 0.82 1.06 assign (resid 114 and name HE3 )((resid 145 or resid 142) and name HG1# ) 4.47 1.00 1.28 assign (resid 114 and name HE3 )(resid 145 and name HG2# ) 5.62 1.25 1.62 assign (resid 113 and name HD1#)(((resid 145 or resid 144 or resid 117) and name HN) or (resid 114 and name HE3)) 3.51 0.77 0.98 assign (resid 145 and name HN )(resid 113 and name HD2# ) 4.77 1.06 1.36 assign (resid 145 and name HG1# )(resid 113 and name HD2# ) 2.89 0.63 0.81 assign (resid 113 and name HD2# )(resid 145 and name HG1# ) 3.07 0.67 0.86 assign (resid 145 and name HN )((resid 142 and name HG2# ) or (resid 109 and name HE# )) 4.21 0.94 1.20 assign (resid 109 and name HE# )((resid 145 or resid 144) and name HN ) 3.78 0.83 1.06 assign (resid 145 and name HG1# )((resid 142 and name HG2# ) or (resid 109 and name HE# )) 2.59 0.57 0.73 assign (resid 145 and name HG2# )((resid 142 and name HG2# ) or (resid 109 and name HE# )) 3.32 0.73 0.93 assign (resid 109 and name HE#)((resid 145 and name HG*) or (resid 144 and name HG2#) or (resid 166 and name HD1#)) 2.79 0.61 0.78 ! V144 assign (resid 144 and name HN )(resid 144 and name HA ) 2.79 0.62 0.80 assign (resid 144 and name HN )(resid 144 and name HB ) 2.63 0.58 0.75 assign (resid 144 and name HN )(resid 144 and name HG1# ) 2.56 0.57 0.73 assign (resid 144 and name HN )(resid 144 and name HG2# ) 3.22 0.72 0.92 assign (resid 144 and name HA )(resid 144 and name HG1# ) 2.51 0.55 0.70 assign (resid 144 and name HG1# )(resid 144 and name HA ) 2.61 0.57 0.73 assign (resid 144 and name HA )(resid 144 and name HG2# ) 2.81 0.62 0.79 assign (resid 144 and name HG2# )(resid 144 and name HA ) 2.60 0.57 0.73 assign (resid 144 and name HN )(resid 143 and name HN ) 2.93 0.65 0.84 assign (resid 143 and name HN )(resid 144 and name HN ) 2.81 0.62 0.80 assign (resid 144 and name HN )((resid 143 or resid 140) and name HA ) 3.23 0.72 0.92 assign (resid 143 and name HA )((resid 144 or resid 145) and name HN ) 2.98 0.65 0.84 assign (resid 143 and name HN )(resid 144 and name HA ) 4.56 1.01 1.30 assign (resid 144 and name HA )(resid 143 and name HN ) 4.29 0.94 1.20 assign (resid 144 and name HA )(resid 143 and name HA ) 3.80 0.83 1.06 assign (resid 143 and name HA )(resid 144 and name HA ) 3.76 0.82 1.05 assign (resid 144 and name HA )(resid 143 and name HB1 ) 3.92 0.86 1.10 assign (resid 143 and name HN )(resid 144 and name HB ) 4.16 0.92 1.19 assign (resid 143 and name HN )((resid 144 and name HG1# ) or (resid 141 and name HB# )) 3.58 0.79 1.02 assign (resid 143 and name HN )(resid 144 and name HG2# ) 4.58 1.02 1.31 assign (resid 144 and name HG1# )(resid 143 and name HN ) 4.20 0.92 1.18 assign (resid 144 and name HG2# )((resid 143 and name HN ) or (resid 114 and name HZ2 )) 3.67 0.80 1.03 assign (resid 143 and name HD1# )(resid 144 and name HN ) 4.12 0.90 1.15 assign (resid 143 and name HD1# )(resid 144 and name HN ) 3.89 0.85 1.09 assign (resid 144 and name HN )(resid 142 and name HA ) 3.90 0.87 1.11 assign (resid 142 and name HN )((resid 141 and name HB# ) or (resid 144 and name HG1# )) 2.77 0.62 0.79 assign (resid 144 and name HN )(resid 141 and name HA ) 3.64 0.81 1.04 assign (resid 141 and name HA )(resid 144 and name HB ) 3.36 0.74 0.94 assign (resid 121 and name HN )((resid 121 and name HG2 ) or (resid 144 and name HG1# )) 3.55 0.79 1.01 assign (resid 121 and name HN )(resid 144 and name HG2# ) 5.99 1.33 1.71 assign (resid 144 and name HN )(resid 120 and name HZ3 ) 4.49 0.99 1.28 assign (resid 120 and name HN )(resid 144 and name HG1# ) 4.13 0.92 1.17 assign (resid 144 and name HG1# )(resid 120 and name HN ) 4.13 0.90 1.16 assign (resid 120 and name HN )(resid 144 and name HG2# ) 4.33 0.96 1.24 assign (resid 144 and name HG2# )(resid 120 and name HN ) 4.55 1.00 1.28 assign (resid 144 and name HG1# )(resid 120 and name HA ) 3.49 0.76 0.98 assign (resid 144 and name HG1# )(resid 120 and name HB1 ) 4.09 0.90 1.15 assign (resid 144 and name HG1# )(resid 120 and name HB2 ) 3.97 0.87 1.11 assign (resid 144 and name HG1# )(resid 119 and name HB2 ) 3.74 0.82 1.05 assign (resid 119 and name HN )(resid 144 and name HG1# ) 4.60 1.02 1.31 assign (resid 119 and name HN )(resid 144 and name HG2# ) 4.84 1.07 1.38 assign (resid 118 and name HN )(resid 144 and name HG1# ) 5.43 1.21 1.55 assign (resid 114 and name HN )(resid 144 and name HG2# ) 5.24 1.16 1.49 assign (resid 114 and name HZ2 )(resid 144 and name HG2# ) 4.14 0.92 1.19 assign (resid 114 and name HH2 )(resid 144 and name HG2# ) 2.77 0.62 0.80 assign (resid 114 and name HZ3 )(resid 144 and name HG2# ) 3.01 0.67 0.86 assign (resid 114 and name HE3 )(resid 144 and name HG2# ) 4.69 1.05 1.35 assign (resid 144 and name HG2# )(resid 113 and name HD1# ) 3.29 0.72 0.92 assign (resid 144 and name HG2# )(resid 113 and name HD2# ) 2.90 0.64 0.81 assign (resid 109 and name HN )((resid 144 and name HG2# ) or (resid 111 and name HG2# )) 6.17 1.37 1.76 assign (resid 144 and name HN )(resid 109 and name HE# ) 4.44 0.99 1.27 assign (resid 109 and name HE# )(resid 144 and name HA ) 4.55 1.00 1.27 ! L143 assign (resid 143 and name HA )(resid 143 and name HN ) 3.08 0.67 0.86 assign (resid 143 and name HN )(resid 143 and name HB2 ) 2.58 0.57 0.74 assign (resid 143 and name HD1# )(resid 143 and name HN ) 3.55 0.78 0.99 assign (resid 143 and name HA )(resid 143 and name HD2# ) 3.90 0.85 1.09 assign (resid 143 and name HD2# )(resid 143 and name HN ) 3.48 0.76 0.97 assign (resid 143 and name HN )(resid 142 and name HN ) 3.10 0.69 0.89 assign (resid 142 and name HN )(resid 143 and name HN ) 3.06 0.68 0.87 assign (resid 142 and name HN )((resid 143 or resid 140) and name HA ) 3.78 0.84 1.08 assign (resid 143 and name HN )((resid 142 or resid 139) and name HA ) 3.40 0.76 0.97 assign (resid 142 and name HA )(resid 143 and name HN ) 3.05 0.67 0.85 assign (resid 142 and name HN )(resid 143 and name HB2 ) 5.31 1.18 1.51 assign (resid 142 and name HN )(resid 143 and name HG ) 4.15 0.92 1.18 assign (resid 143 and name HN )(resid 142 and name HG2# ) 3.38 0.75 0.96 assign (resid 143 and name HN )(resid 141 and name HN ) 4.57 1.01 1.30 assign (resid 141 and name HN )(resid 143 and name HN ) 5.03 1.12 1.44 assign (resid 140 and name HA )(resid 143 and name HN ) 3.88 0.85 1.09 assign (resid 140 and name HA )(resid 143 and name HB1 ) 3.06 0.67 0.86 assign (resid 140 and name HA )(resid 143 and name HG ) 3.08 0.67 0.86 assign (resid 140 and name HA )(resid 143 and name HD1# ) 3.14 0.69 0.88 ! V142 assign (resid 142 and name HA )(resid 142 and name HN ) 2.85 0.62 0.80 assign (resid 142 and name HN )(resid 142 and name HB ) 2.59 0.57 0.74 assign (resid 142 and name HN)((resid 142 and name HG1#) or (resid 143 and name HD*) or (resid 166 and name HD1#)) 2.83 0.63 0.81 assign (resid 142 and name HG1# )(resid 142 and name HN ) 3.50 0.77 0.98 assign (resid 142 and name HN )((resid 142 and name HG2# ) or (resid 109 and name HE# )) 2.46 0.55 0.70 assign (resid 142 and name HG2# )((resid 142 or resid 139) and name HN ) 2.73 0.60 0.76 assign (resid 142 and name HA )(resid 142 and name HG1# ) 2.25 0.49 0.63 assign (resid 142 and name HG1# )(resid 142 and name HA ) 2.80 0.61 0.78 assign (resid 142 and name HA )(resid 142 and name HG2# ) 2.51 0.55 0.70 assign (resid 142 and name HG2# )(resid 142 and name HA ) 2.48 0.54 0.70 assign (resid 142 and name HN )(((resid 141 or resid 144) and name HN ) or (resid 120 and name HE3 )) 3.10 0.69 0.89 assign (resid 141 and name HN )(resid 142 and name HN ) 3.08 0.68 0.88 assign (resid 142 and name HN )(resid 141 and name HA ) 3.66 0.81 1.05 assign (resid 141 and name HB# )(resid 142 and name HN ) 2.70 0.59 0.76 assign (resid 141 and name HN )((resid 142 and name HG1# ) or (resid 123 and name HG* )) 4.24 0.94 1.21 assign (resid 141 and name HN )((resid 109 and name HE# ) or (resid 142 and name HG2# )) 4.50 1.00 1.28 assign (resid 142 and name HN )(resid 140 and name HN ) 3.50 0.78 1.00 assign (resid 140 and name HN )(resid 142 and name HN ) 4.40 0.98 1.26 assign (resid 142 and name HN )(resid 140 and name HB1 ) 4.47 0.99 1.28 assign (resid 142 and name HN )(resid 140 and name HB2 ) 4.52 1.00 1.29 assign (resid 142 and name HN )((resid 139 and name HE ) or (resid 120 and name HZ3 )) 4.82 1.07 1.37 assign (resid 139 and name HN )(resid 142 and name HG2# ) 4.68 1.04 1.34 assign (resid 139 and name HA )(resid 142 and name HG2# ) 2.79 0.61 0.78 assign (resid 139 and name HE )(resid 142 and name HG2# ) 6.66 1.48 1.90 assign (resid 142 and name HN )(resid 138 and name HA ) 4.05 0.90 1.16 assign (resid 142 and name HN )(resid 138 and name HD# ) 5.19 1.15 1.48 assign (resid 142 and name HN )(resid 138 and name HE# ) 5.25 1.17 1.50 assign (resid 142 and name HG2# )(resid 138 and name HD# ) 4.29 0.94 1.20 assign (resid 138 and name HE# )(resid 142 and name HG1# ) 3.38 0.75 0.97 assign (resid 138 and name HE# )(resid 142 and name HG2# ) 3.78 0.84 1.09 assign (resid 142 and name HG2# )(resid 138 and name HE# ) 3.61 0.79 1.01 assign (resid 142 and name HN )(resid 120 and name HZ3 ) 4.64 1.03 1.33 ! A141 assign (resid 141 and name HA )(resid 141 and name HN ) 3.30 0.72 0.93 assign (resid 141 and name HN )(resid 141 and name HB# ) 2.49 0.55 0.71 assign (resid 141 and name HB# )(resid 141 and name HN ) 2.16 0.47 0.62 assign (resid 141 and name HN )(resid 140 and name HN ) 2.78 0.62 0.79 assign (resid 140 and name HN )(resid 141 and name HN ) 3.03 0.67 0.87 assign (resid 140 and name HN )(resid 141 and name HB# ) 3.64 0.81 1.04 assign (resid 141 and name HN )(resid 140 and name HB1 ) 3.12 0.69 0.89 assign (resid 141 and name HN )(resid 140 and name HB2 ) 3.36 0.75 0.96 assign (resid 141 and name HN )(resid 139 and name HN ) 4.16 0.92 1.19 assign (resid 139 and name HN )(resid 141 and name HN ) 4.06 0.90 1.16 assign (resid 141 and name HN )(resid 139 and name HA ) 4.42 0.98 1.26 assign (resid 141 and name HN )(resid 138 and name HN ) 5.73 1.27 1.63 assign (resid 138 and name HN )(resid 141 and name HN ) 5.03 1.12 1.43 assign (resid 138 and name HN )(resid 141 and name HB# ) 4.39 0.97 1.25 assign (resid 141 and name HN )(resid 138 and name HA ) 3.73 0.83 1.07 assign (resid 138 and name HA )(resid 141 and name HB# ) 2.48 0.54 0.70 assign (resid 141 and name HB# )(resid 138 and name HA ) 2.44 0.53 0.68 assign (resid 141 and name HN )(resid 138 and name HD# ) 5.63 1.25 1.60 assign (resid 141 and name HN )(resid 137 and name HG2# ) 4.94 1.10 1.41 assign (resid 141 and name HN )(resid 120 and name HZ2 ) 6.03 1.34 1.72 assign (resid 120 and name HZ2 )(resid 141 and name HB# ) 3.97 0.89 1.14 assign (resid 141 and name HN )(resid 120 and name HZ3 ) 3.24 0.72 0.93 assign (resid 120 and name HZ3 )(resid 141 and name HN ) 3.38 0.75 0.97 assign (resid 141 and name HA )(resid 120 and name HZ3 ) 3.26 0.71 0.91 assign (resid 120 and name HZ3 )(resid 141 and name HA ) 2.73 0.61 0.78 assign (resid 141 and name HB# )(resid 120 and name HZ3 ) 2.99 0.66 0.84 assign (resid 141 and name HN )(resid 120 and name HH2 ) 4.02 0.89 1.15 assign (resid 120 and name HH2 )(resid 141 and name HN ) 4.16 0.93 1.20 assign (resid 120 and name HH2 )(resid 141 and name HA ) 3.32 0.74 0.95 assign (resid 120 and name HH2 )(resid 141 and name HB# ) 2.67 0.74 0.95 assign (resid 141 and name HA )(resid 120 and name HH2 ) 3.58 0.80 1.02 assign (resid 120 and name HE3 )(resid 141 and name HA ) 3.01 0.67 0.86 assign (resid 109 and name HE# )(resid 141 and name HN ) 4.89 1.07 1.40 assign (resid 141 and name HA )(resid 109 and name HE# ) 2.71 0.60 0.77 assign (resid 109 and name HE# )(resid 141 and name HA ) 3.03 0.66 0.85 assign (resid 109 and name HN )(resid 141 and name HB# ) 6.02 1.34 1.72 assign (resid 109 and name HE# )(resid 141 and name HB# ) 2.67 0.58 0.75 assign (resid 141 and name HN )(resid 106 and name HD2# ) 4.55 1.01 1.30 assign (resid 141 and name HA )(resid 106 and name HD2# ) 3.80 0.90 1.15 ! K140 assign (resid 140 and name HA )(resid 140 and name HN ) 2.84 0.62 0.80 assign (resid 140 and name HN )(resid 140 and name HA ) 2.93 0.65 0.84 assign (resid 140 and name HN )(resid 140 and name HB2 ) 3.16 0.70 0.90 assign (resid 140 and name HN )(resid 139 and name HN ) 3.43 0.76 0.98 assign (resid 139 and name HN )(resid 140 and name HN ) 3.14 0.70 0.90 assign (resid 140 and name HN )(resid 139 and name HA ) 3.88 0.86 1.11 assign (resid 139 and name HA )(resid 140 and name HN ) 3.82 0.84 1.07 assign (resid 140 and name HN )(resid 139 and name HB1 ) 3.46 0.77 0.99 assign (resid 140 and name HN )(resid 139 and name HG2 ) 3.44 0.76 0.98 assign (resid 140 and name HN )(resid 139 and name HD# ) 5.73 1.27 1.64 assign (resid 140 and name HN )(resid 138 and name HN ) 5.87 1.30 1.68 assign (resid 138 and name HN )(resid 140 and name HN ) 4.32 0.96 1.23 assign (resid 140 and name HN )(resid 138 and name HA ) 4.37 0.97 1.25 assign (resid 140 and name HN )(resid 138 and name HD# ) 5.60 1.24 1.60 assign (resid 140 and name HN )((resid 137 or resid 141) and name HA ) 3.37 0.75 0.96 assign (resid 137 and name HN )(resid 140 and name HN ) 4.74 1.05 1.35 assign (resid 140 and name HN )(resid 136 and name HA ) 4.21 0.94 1.20 assign (resid 140 and name HN )(resid 120 and name HZ3 ) 4.61 1.02 1.31 assign (resid 140 and name HN )(resid 120 and name HH2 ) 5.17 1.15 1.47 ! R139 assign (resid 139 and name HN )(resid 139 and name HA ) 3.01 0.67 0.86 assign (resid 139 and name HA )(resid 139 and name HN ) 2.76 0.60 0.79 assign (resid 139 and name HN )(resid 139 and name HB1 ) 2.85 0.63 0.81 assign (resid 139 and name HN )(resid 139 and name HG2 ) 3.37 0.75 0.96 assign (resid 139 and name HA )(resid 139 and name HG2 ) 2.95 0.65 0.83 assign (resid 139 and name HN )(resid 139 and name HD* ) 3.79 0.84 1.08 assign (resid 139 and name HA )(resid 139 and name HD* ) 3.21 0.70 0.90 assign (resid 139 and name HE )(resid 139 and name HB1 ) 5.81 1.29 1.66 assign (resid 139 and name HE )(resid 139 and name HG2 ) 5.28 1.17 1.51 assign (resid 139 and name HN )(resid 138 and name HN ) 3.33 0.74 0.95 assign (resid 138 and name HN )(resid 139 and name HN ) 2.98 0.66 0.85 assign (resid 139 and name HN )(resid 138 and name HA ) 4.25 0.94 1.21 assign (resid 139 and name HN )(resid 138 and name HB1 ) 3.93 0.87 1.12 assign (resid 139 and name HN )(resid 138 and name HB2 ) 3.71 0.82 1.06 assign (resid 139 and name HN )(resid 138 and name HD# ) 3.39 0.75 0.97 assign (resid 138 and name HD# )(resid 139 and name HN ) 3.29 0.74 0.95 assign (resid 139 and name HN )(resid 138 and name HE# ) 5.08 1.13 1.45 assign (resid 136 and name HA )(resid 139 and name HN ) 3.68 0.81 1.03 assign (resid 136 and name HA )(resid 139 and (name HB# or name HG1 )) 2.79 0.61 0.78 assign (resid 136 and name HA )(resid 139 and name HD# ) 3.77 0.83 1.06 ! Y138 assign (resid 138 and name HN )(resid 138 and name HA ) 2.65 0.59 0.76 assign (resid 138 and name HA )(resid 138 and name HN ) 2.61 0.57 0.73 assign (resid 138 and name HN )(resid 138 and name HB# ) 2.58 0.57 0.74 assign (resid 138 and name HN )(resid 138 and name HD# ) 3.36 0.74 0.95 assign (resid 138 and name HD# )(resid 138 and name HN ) 3.24 0.72 0.93 assign (resid 138 and name HA )(resid 138 and name HD# ) 2.65 0.58 0.74 assign (resid 138 and name HD# )(resid 138 and name HA ) 2.74 0.61 0.79 assign (resid 138 and name HN )(resid 138 and name HE# ) 4.84 1.08 1.38 assign (resid 138 and name HN )(resid 137 and name HN ) 2.70 0.60 0.77 assign (resid 137 and name HN )(resid 138 and name HN ) 2.73 0.61 0.78 assign (resid 138 and name HN )(resid 137 and name HA ) 3.55 0.79 1.01 assign (resid 138 and name HN )(resid 137 and name HB ) 2.83 0.63 0.81 assign (resid 138 and name HN )(resid 137 and name HG1# ) 3.43 0.76 0.98 assign (resid 138 and name HN )(resid 137 and name HG2# ) 3.32 0.74 0.95 assign (resid 137 and name HG2# )(resid 138 and name HN ) 3.62 0.79 1.01 assign (resid 137 and name HN )(resid 138 and name HD# ) 4.85 1.08 1.38 assign (resid 138 and name HN )(resid 136 and name HN ) 4.16 0.92 1.19 assign (resid 136 and name HN )(resid 138 and name HN ) 4.74 1.05 1.35 assign (resid 136 and name HN )(resid 138 and name HD# ) 6.12 1.36 1.75 assign (resid 138 and name HN )(resid 136 and name HA ) 4.08 0.91 1.16 assign (resid 138 and name HN )(resid 135 and name HN ) 5.25 1.17 1.50 assign (resid 138 and name HN )(resid 135 and name HA ) 3.30 0.73 0.94 assign (resid 135 and name HA )(resid 138 and name HN ) 3.23 0.71 0.91 assign (resid 138 and name HD# )(resid 135 and name HA ) 3.41 0.76 0.98 assign (resid 138 and name HN )(resid 134 and name HA ) 4.13 0.92 1.18 assign (resid 134 and name HA )(resid 138 and name HN ) 3.78 0.84 1.07 assign (resid 138 and name HN )(resid 134 and name HG2# ) 4.18 0.93 1.19 assign (resid 138 and name HN )(resid 106 and name HD1# ) 3.08 0.68 0.88 assign (resid 106 and name HD1# )(resid 138 and name HN ) 2.91 0.64 0.82 assign (resid 106 and name HD1# )((resid 138 or resid 106 ) and name HA ) 2.49 0.55 0.70 assign (resid 106 and name HD1# )(resid 138 and name HB# ) 2.78 0.61 0.78 assign (resid 138 and name HN )(resid 106 and name HD2# ) 3.45 0.77 0.98 assign (resid 138 and name HA )(resid 106 and name HD* ) 2.30 0.50 0.64 assign (resid 106 and name HD2# )((resid 138 or resid 106 ) and name HA ) 2.29 0.50 0.64 assign (resid 106 and name HD2# )(resid 138 and name HB# ) 3.69 0.81 1.03 assign (resid 138 and name HD# )(resid 102 and name HD# ) 3.03 0.68 0.87 assign (resid 102 and name HD# )(resid 138 and name HD# ) 3.52 0.77 0.98 assign (resid 102 and name HD# )(resid 138 and name HE# ) 3.86 0.84 1.08 ! V137 assign (resid 137 and name HN )(resid 137 and name HA ) 2.77 0.62 0.79 assign (resid 137 and name HA )(resid 137 and name HN ) 2.95 0.65 0.84 assign (resid 137 and name HN )(resid 137 and name HG1# ) 3.11 0.69 0.89 assign (resid 137 and name HG1# )(resid 137 and name HN ) 3.60 0.79 1.01 assign (resid 137 and name HG1# )(resid 137 and name HA ) 2.71 0.59 0.76 assign (resid 137 and name HN )(resid 137 and name HG2# ) 2.33 0.52 0.67 assign (resid 137 and name HA )(resid 137 and name HG1# ) 2.59 0.57 0.73 assign (resid 137 and name HN )(resid 136 and name HN ) 2.61 0.58 0.74 assign (resid 136 and name HN )(resid 137 and name HN ) 3.15 0.70 0.90 assign (resid 136 and name HA )(resid 137 and name HN ) 4.51 0.99 1.26 assign (resid 136 and name HN )(resid 137 and name HA ) 5.33 1.18 1.52 assign (resid 136 and name HN )(resid 137 and name HG1# ) 5.44 1.21 1.55 assign (resid 136 and name HN )(resid 137 and name HG2# ) 4.65 1.03 1.33 assign (resid 137 and name HN )(resid 135 and name HA ) 4.67 1.04 1.33 assign (resid 137 and name HN )(resid 134 and name HA ) 3.60 0.80 1.03 assign (resid 137 and name HN)((resid 123 and name HG*) or (resid 106 and name HG) or (resid 134 and name HG1# )) 3.47 0.77 0.99 assign (resid 137 and name HG1# )(resid 120 and name HZ2 ) 3.56 0.78 1.00 assign (resid 120 and name HZ2 )(resid 137 and name HG1# ) 3.58 0.80 1.03 assign (resid 137 and name HG1# )(resid 120 and name HH2 ) 2.81 0.62 0.79 assign (resid 120 and name HH2 )(resid 137 and name HG1# ) 2.52 0.56 0.72 assign (resid 120 and name HZ3 )(resid 137 and name HG1# ) 3.37 0.75 0.97 assign (resid 137 and name HN )(resid 106 and name HD1# ) 3.54 0.79 1.01 assign (resid 137 and name HN )(resid 106 and name HD2# ) 4.00 0.89 1.14 ! K136 assign (resid 136 and name HN )(resid 136 and name HA ) 2.87 0.64 0.82 assign (resid 136 and name HA )(resid 136 and name HN ) 2.81 0.62 0.80 assign (resid 136 and name HN )(resid 136 and name HB1 ) 2.52 0.56 0.72 assign (resid 136 and name HN )(resid 136 and name HB2 ) 2.73 0.61 0.78 assign (resid 136 and name HA )(resid 136 and name HG# ) 2.92 0.65 0.83 assign (resid 136 and name HN )(resid 136 and name HD# ) 3.47 0.77 0.99 assign (resid 136 and name HN )(resid 136 and name HE# ) 5.23 1.16 1.49 assign (resid 136 and name HN )(resid 135 and name HN ) 3.22 0.71 0.92 assign (resid 135 and name HN )(resid 136 and name HN ) 3.18 0.71 0.91 assign (resid 136 and name HN )(resid 135 and name HA ) 3.99 0.89 1.14 assign (resid 135 and name HA )(resid 136 and name HN ) 3.42 0.76 0.98 assign (resid 136 and name HN )(resid 135 and name HB1 ) 3.58 0.79 1.02 assign (resid 134 and name HN )(resid 136 and name HN ) 4.37 0.97 1.25 assign (resid 136 and name HN )(resid 134 and name HA ) 5.62 1.25 1.60 assign (resid 136 and name HN )(resid 132 and name HN ) 5.66 1.26 1.62 assign (resid 132 and name HN )(resid 136 and name HN ) 5.80 1.29 1.65 ! K135 assign (resid 135 and name HN )(resid 135 and name HA ) 2.86 0.64 0.82 assign (resid 135 and name HA )(resid 135 and name HN ) 2.96 0.65 0.83 assign (resid 135 and name HN )(resid 135 and name HB1 ) 2.80 0.62 0.80 assign (resid 135 and name HN )(resid 135 and name HB2 ) 3.33 0.74 0.95 assign (resid 135 and name HN )(resid 135 and name HG# ) 3.87 0.86 1.10 assign (resid 135 and name HA )(resid 135 and name HG# ) 2.81 0.62 0.79 assign (resid 135 and name HN )(resid 134 and name HN ) 3.30 0.73 0.94 assign (resid 134 and name HN )(resid 135 and name HN ) 3.18 0.71 0.91 assign (resid 135 and name HN )(resid 134 and name HA ) 3.93 0.87 1.12 assign (resid 134 and name HA )(resid 135 and name HN ) 3.64 0.80 1.02 assign (resid 135 and name HN )(resid 134 and name HG1# ) 3.48 0.77 0.99 assign (resid 135 and name HN )(resid 134 and name HG2# ) 3.52 0.78 1.01 assign (resid 134 and name HG2# )(resid 135 and name HN ) 3.50 0.77 0.98 assign (resid 135 and name HN )(resid 132 and name HA ) 3.18 0.71 0.91 assign (resid 135 and name HN )(resid 131 and name HA ) 3.51 0.78 1.00 ! V134 assign (resid 134 and name HN )(resid 134 and name HA ) 3.16 0.70 0.90 assign (resid 134 and name HA )(resid 134 and name HN ) 2.87 0.63 0.82 assign (resid 134 and name HN )(resid 134 and name HB ) 2.81 0.62 0.80 assign (resid 134 and name HN )(resid 134 and name HG1# ) 2.59 0.57 0.74 assign (resid 134 and name HA )(resid 134 and name HG1# ) 2.29 0.50 0.64 assign (resid 134 and name HN )(resid 134 and name HG2# ) 3.47 0.77 0.99 assign (resid 134 and name HA )(resid 134 and name HG2# ) 2.50 0.55 0.70 assign (resid 134 and name HN )(resid 133 and name HN ) 3.11 0.69 0.89 assign (resid 133 and name HN )(resid 134 and name HN ) 3.03 0.67 0.87 assign (resid 134 and name HN )(resid 133 and name HA ) 3.59 0.80 1.02 assign (resid 134 and name HN )(resid 133 and name HB# ) 3.26 0.72 0.93 assign (resid 134 and name HN )(resid 133 and name HG2 ) 4.06 0.90 1.16 assign (resid 133 and name HN )(resid 134 and name HG1# ) 3.90 0.87 1.11 assign (resid 134 and name HN )(resid 132 and name HN ) 4.16 0.92 1.19 assign (resid 134 and name HN )(resid 132 and name HA ) 4.55 1.01 1.30 assign (resid 132 and name HN )(resid 134 and name HG1# ) 5.40 1.20 1.54 assign (resid 134 and name HN )(resid 131 and name HA ) 3.43 0.76 0.98 assign (resid 131 and name HA )(resid 134 and name HN ) 2.98 0.65 0.85 assign (resid 131 and name HA )(resid 134 and name HG1# ) 2.89 0.63 0.81 assign (resid 131 and name HA )(resid 134 and name HG2# ) 3.01 0.66 0.84 assign (resid 134 and name HG2# )(resid 131 and name HA ) 3.54 0.78 0.99 assign (resid 134 and name HN )(resid 130 and name HN ) 4.53 1.01 1.29 assign (resid 130 and name HN )(resid 134 and name HN ) 4.60 1.02 1.31 assign (resid 134 and name HN )(resid 130 and (name HA or name HB )) 5.48 1.22 1.56 assign (resid 130 and name HN )((resid 134 and name HG1# ) or (resid 181 and name HD2# )) 3.87 0.86 1.10 assign (resid 106 and name HD1# )((resid 134 and name HA ) or (resid 103 and name HD1 )) 3.18 0.70 0.89 assign (resid 134 and name HG2# )(resid 106 and name HD1# ) 2.81 0.61 0.79 assign (resid 106 and name HD1# )(resid 134 and name HG2# ) 2.62 0.57 0.73 assign (resid 103 and name HN )(resid 134 and name HG1# ) 5.23 1.16 1.49 assign (resid 103 and name HN )(resid 134 and name HG2# ) 5.19 1.15 1.48 assign (resid 128 and name HD1# )((resid 134 and name HA ) or (resid 103 and name HD1 )) 3.51 0.77 0.98 assign (resid 128 and name HD2# )((resid 134 and name HA ) or (resid 103 and name HD1 )) 2.82 0.62 0.79 assign (resid 103 and name HE )((resid 134 and name HG2# ) or (resid 181 and name HD2# )) 3.86 0.86 1.10 assign (resid 102 and name HN )(resid 134 and name HG2# ) 5.07 1.12 1.44 assign (resid 134 and name HG2# )(resid 102 and name HG2# ) 2.49 0.55 0.70 assign (resid 102 and name HG2# )(resid 134 and name HG2# ) 2.34 0.51 0.65 assign (resid 102 and name HD# )(resid 134 and name HG2# ) 3.05 0.67 0.85 ! Q133 assign (resid 133 and name HN )(resid 133 and name HA ) 2.99 0.66 0.85 assign (resid 133 and name HA )(resid 133 and name HN ) 2.85 0.62 0.80 assign (resid 133 and name HN )(resid 133 and name HE21 ) 4.39 0.97 1.25 assign (resid 133 and name HE21 )(resid 133 and name HA ) 4.11 0.91 1.17 assign (resid 133 and name HE21 )(resid 133 and name HG2 ) 3.00 0.67 0.86 assign (resid 133 and name HN )(resid 133 and name HE22 ) 5.65 1.25 1.61 assign (resid 133 and name HE22 )(resid 133 and name HN ) 6.16 1.31 1.76 assign (resid 133 and name HE22 )(resid 133 and name HA ) 4.58 1.02 1.31 assign (resid 133 and name HE22 )(resid 133 and name HG2 ) 3.11 0.69 0.89 assign (resid 133 and name HN )(resid 132 and name HN ) 3.13 0.70 0.89 assign (resid 132 and name HN )(resid 133 and name HN ) 3.26 0.72 0.93 assign (resid 133 and name HN )(resid 132 and name HA ) 3.29 0.73 0.94 assign (resid 132 and name HN )(resid 133 and name HA ) 4.44 0.99 1.27 assign (resid 133 and name HN )(resid 132 and name HB1 ) 3.24 0.72 0.92 assign (resid 133 and name HN )(resid 132 and name HB2 ) 3.23 0.72 0.92 assign (resid 133 and name HN )(resid 131 and name HA ) 4.65 1.03 1.33 assign (resid 133 and name HN )(resid 131 and name HD2 ) 5.41 1.20 1.54 assign (resid 133 and name HN )(resid 130 and name HN ) 4.00 0.89 1.14 assign (resid 130 and name HN )(resid 133 and name HN ) 3.83 0.85 1.09 assign (resid 133 and name HN )(resid 130 and name HA ) 5.07 1.12 1.45 assign (resid 130 and name HN )(resid 133 and name HA ) 4.25 0.94 1.21 assign (resid 130 and name HN )((resid 133 and name HB# ) or (resid 132 and name HG1 )) 2.96 0.66 0.84 assign (resid 130 and name HN )((resid 133 and name HG2 ) or (resid 129 and name HB )) 2.52 0.56 0.72 assign (resid 133 and name HN )(resid 130 and name HB ) 4.54 1.01 1.29 assign (resid 133 and name HN )(resid 130 and name HG2# ) 4.30 0.95 1.23 assign (resid 133 and name HE22 )(resid 130 and name HN ) 5.37 1.19 1.53 assign (resid 130 and name HN )(resid 133 and name HE22 ) 5.01 1.11 1.43 assign (resid 133 and name HE21 )(resid 130 and name HG2# ) 5.16 1.15 1.47 assign (resid 133 and name HE22 )(resid 130 and name HG2# ) 4.68 1.04 1.33 assign (resid 129 and name HN )((resid 133 and name HB# ) or (resid 132 and name HG1 )) 3.78 0.84 1.08 assign (resid 129 and name HN )((resid 133 and name HE22 ) or (resid 182 and name HE# )) 5.14 1.14 1.47 assign (resid 133 and name HE21 )(resid 129 and name HG1# ) 5.60 1.24 1.60 assign (resid 129 and name HG1# )((resid 133 and name HE22 ) or (resid 182 and name HE# )) 5.01 1.09 1.40 assign (resid 133 and name HE22 )(resid 129 and name HG1# ) 5.20 1.16 1.48 ! E132 assign (resid 132 and name HA )(resid 132 and name HN ) 2.87 0.63 0.80 assign (resid 132 and name HN )(resid 132 and name HB2 ) 2.81 0.62 0.80 assign (resid 132 and name HN )(resid 132 and name HG1 ) 3.34 0.74 0.95 assign (resid 132 and name HA )(resid 132 and name HG2 ) 2.65 0.58 0.74 assign (resid 132 and name HN )(resid 131 and name HA ) 4.13 0.92 1.18 assign (resid 131 and name HA )(resid 132 and name HN ) 2.97 0.65 0.83 assign (resid 132 and name HN )(resid 131 and name HB1 ) 3.62 0.80 1.03 assign (resid 132 and name HN )(resid 131 and name HD2 ) 3.86 0.86 1.10 assign (resid 132 and name HN )(resid 130 and name HN ) 5.48 1.22 1.56 assign (resid 130 and name HN )(resid 132 and name HN ) 5.48 1.22 1.56 assign (resid 130 and name HN )((resid 132 and name HA ) or (resid 131 and name HD1 )) 4.45 0.99 1.27 assign (resid 130 and name HN )(resid 132 and name HB2 ) 5.19 1.15 1.48 assign (resid 132 and name HN )(resid 130 and name HB ) 3.25 0.72 0.93 assign (resid 132 and name HN )(resid 130 and name HG2# ) 3.54 0.79 1.01 assign (resid 130 and name HG2# )(resid 132 and name HN ) 4.82 1.06 1.35 ! P131 assign (resid 130 and name HN )(resid 131 and name HD2 ) 4.81 1.07 1.37 assign (resid 130 and name HA )(resid 131 and name HD1 ) 2.27 0.50 0.64 assign (resid 130 and name HA )(resid 131 and name HD2 ) 2.29 0.50 0.64 assign (resid 130 and name HG2# )(resid 131 and name HD1 ) 3.47 0.76 0.97 assign (resid 130 and name HG2# )(resid 131 and name HD2 ) 3.63 0.80 1.02 ! T130 assign (resid 130 and name HN )(resid 130 and name HA ) 3.37 0.75 0.96 assign (resid 130 and name HN )(resid 130 and name HB ) 4.23 0.94 1.21 assign (resid 130 and name HN )(resid 130 and name HG2# ) 2.39 0.53 0.68 assign (resid 130 and name HG2# )(resid 130 and name HN ) 2.70 0.59 0.76 assign (resid 130 and name HN )(resid 129 and name HN ) 2.75 0.61 0.78 assign (resid 129 and name HN )(resid 130 and name HN ) 2.86 0.63 0.82 assign (resid 130 and name HN )(resid 129 and name HA ) 3.54 0.79 1.01 assign (resid 130 and name HN )(resid 129 and name HG1# ) 3.17 0.70 0.90 assign (resid 129 and name HG1# )(resid 130 and name HN ) 3.66 0.80 1.02 assign (resid 129 and name HG2# )(resid 130 and name HN ) 3.76 0.82 1.05 assign (resid 130 and name HG2# )((resid 129 and name HG2# ) or (resid 181 and name HD1# )) 2.65 0.58 0.74 assign (resid 130 and name HN )(resid 128 and name HN ) 4.70 1.04 1.34 assign (resid 128 and name HN )(resid 130 and name HN ) 5.72 1.27 1.63 assign (resid 130 and name HN )(resid 128 and name HA ) 3.84 0.85 1.10 assign (resid 130 and name HN )(resid 128 and name HD2# ) 3.45 0.77 0.98 ! V129 assign (resid 129 and name HN )(resid 129 and name HA ) 2.84 0.63 0.81 assign (resid 129 and name HA )(resid 129 and name HN ) 2.80 0.61 0.78 assign (resid 129 and name HN )(resid 129 and name HG1# ) 2.37 0.53 0.68 assign (resid 129 and name HN)((resid 129 and name HG2#) or (resid 181 and name HD1#) or (resid 128 and name HD*)) 2.90 0.64 0.83 assign (resid 129 and name HG1# )(resid 129 and name HN ) 2.52 0.55 0.70 assign (resid 129 and name HG2# )(resid 129 and name HN ) 3.46 0.76 0.97 assign (resid 129 and name HG1# )(resid 129 and name HA ) 2.68 0.59 0.75 assign (resid 129 and name HA)((resid 129 and name HG2#) or (resid 181 and name HD1#) or (resid 128 and name HD*)) 2.48 0.54 0.69 assign (resid 129 and name HG2# )(resid 129 and name HA ) 2.85 0.62 0.80 assign (resid 129 and name HN )(resid 128 and name HN ) 3.06 0.68 0.87 assign (resid 128 and name HN )(resid 129 and name HN ) 3.03 0.67 0.86 assign (resid 129 and name HN )(resid 128 and name HA ) 3.22 0.72 0.92 assign (resid 128 and name HN )(resid 129 and name HB ) 4.18 0.93 1.19 assign (resid 128 and name HN )((resid 129 and name HG1# ) or (resid 137 and name HG2# )) 3.41 0.76 0.97 assign (resid 127 and name HN )((resid 129 and name HG1# ) or (resid 137 and name HG2# )) 4.15 0.92 1.19 assign (resid 127 and name HN )((resid 128 and name HD* ) or (resid 129 and name HG2# )) 4.45 0.99 1.27 assign (resid 127 and name HA )((resid 128 and name HD* ) or (resid 129 and name HG2# )) 3.23 0.71 0.90 assign (resid 128 and name HD2# )(resid 129 and name HA ) 3.08 0.68 0.86 assign (resid 129 and name HN )(resid 126 and name HA ) 4.14 0.92 1.18 assign (resid 126 and name HN )((resid 129 and name HG1# ) or (resid 137 and name HG2# )) 4.63 1.03 1.32 assign (resid 129 and name HG1# )(resid 126 and name HN ) 4.43 0.97 1.24 assign (resid 126 and name HA )((resid 129 and name HG1# ) or (resid 137 and name HG2# )) 2.91 0.64 0.81 assign (resid 129 and name HG1# )(resid 126 and name HA ) 2.77 0.61 0.78 assign (resid 126 and name HA )((resid 128 and name HD* ) or (resid 129 and name HG2# )) 3.84 0.84 1.08 assign (resid 129 and name HN )(resid 125 and name HA ) 5.35 1.19 1.53 ! L128 assign (resid 128 and name HN )(resid 128 and name HA ) 3.44 0.76 0.98 assign (resid 128 and name HA )(resid 128 and name HN ) 3.40 0.74 0.95 assign (resid 128 and name HN )(resid 128 and name HD* ) 3.24 0.72 0.92 assign (resid 128 and name HD1# )((resid 128 and name HN ) or (resid 104 and name HN )) 3.20 0.70 0.90 assign (resid 128 and name HA )(resid 128 and name HD* ) 2.73 0.60 0.77 assign (resid 128 and name HD1# )(resid 128 and name HA ) 3.66 0.80 1.03 assign (resid 127 and name HN )(resid 128 and name HB# ) 4.30 0.96 1.23 assign (resid 127 and name HN )((resid 128 and name HD* ) or (resid 123 and name HG* )) 3.36 0.75 0.96 assign (resid 128 and name HN )(resid 127 and name HB1 ) 4.51 1.00 1.29 assign (resid 128 and name HN )(resid 127 and name HB2 ) 4.24 0.94 1.21 assign (resid 128 and name HD1# )(resid 127 and name HB2 ) 3.92 0.86 1.10 assign (resid 128 and name HN )(resid 126 and name HN ) 4.67 1.04 1.33 assign (resid 126 and name HN )((resid 128 and name HD* ) or (resid 123 and name HG* )) 5.31 1.18 1.52 assign (resid 128 and name HN )(resid 126 and name HB# ) 4.12 0.91 1.17 assign (resid 128 and name HD1# )((resid 126 or resid 104) and name HB# ) 2.94 0.64 0.82 assign (resid 128 and name HN )(resid 125 and name HA ) 3.62 0.80 1.03 assign (resid 125 and name HN )(resid 128 and name HB# ) 5.54 1.23 1.58 assign (resid 125 and name HN )((resid 128 and name HD* ) or (resid 123 and name HG* )) 4.25 0.94 1.21 assign (resid 125 and name HE# )((resid 128 and name HD* ) or (resid 123 and name HG* )) 4.01 0.88 1.12 assign (resid 128 and name HD1# )((resid 125 and name HA ) or (resid 107 and name HB1 )) 2.54 0.56 0.74 assign (resid 128 and name HD1# )(resid 107 and name HA ) 3.81 0.83 1.07 assign (resid 104 and name HN )(resid 128 and name HD1# ) 4.36 0.97 1.24 assign (resid 103 and name HN )((resid 128 and name HD1# ) or (resid 166 and name HD* )) 4.50 1.00 1.28 ! D127 assign (resid 127 and name HA )(resid 127 and name HN ) 2.41 0.53 0.67 assign (resid 127 and name HN )(resid 127 and name HB1 ) 2.94 0.65 0.84 assign (resid 127 and name HN )(resid 127 and name HB2 ) 2.88 0.64 0.82 assign (resid 127 and name HN )(resid 126 and name HN ) 2.93 0.65 0.83 assign (resid 127 and name HN )(resid 126 and name HA ) 3.40 0.75 0.97 assign (resid 126 and name HA )((resid 127 or resid 128) and name HN ) 3.10 0.68 0.87 assign (resid 127 and name HN )(resid 126 and name HB# ) 2.89 0.64 0.82 assign (resid 127 and name HN )(resid 125 and name HN ) 4.03 0.89 1.15 assign (resid 127 and name HN )((resid 125 or resid 123) and name HA ) 3.78 0.84 1.08 assign (resid 127 and name HN )(resid 125 and name HB# ) 3.99 0.89 1.14 assign (resid 127 and name HN )(resid 124 and name HN ) 4.04 0.90 1.15 assign (resid 127 and name HN )(resid 124 and name HA1 ) 5.13 1.14 1.46 assign (resid 127 and name HN )(resid 124 and name HA2 ) 4.37 0.97 1.25 assign (resid 124 and name HA2 )(resid 127 and name HN ) 3.49 0.76 0.98 assign (resid 123 and name HG1# )(resid 127 and name HB1 ) 2.95 0.65 0.83 assign (resid 123 and name HG2# )(resid 127 and name HB1 ) 3.74 0.82 1.05 assign (resid 127 and name HN )(resid 107 and name HA ) 6.34 1.41 1.81 ! A126 assign (resid 126 and name HN )(resid 126 and name HA ) 2.88 0.64 0.82 assign (resid 126 and name HA )(resid 126 and name HN ) 2.63 0.58 0.74 assign (resid 126 and name HN )(resid 126 and name HB# ) 2.35 0.52 0.67 assign (resid 126 and name HN )(resid 125 and name HN ) 3.16 0.70 0.90 assign (resid 125 and name HN )(resid 126 and name HN ) 2.89 0.64 0.82 assign (resid 126 and name HN )(resid 125 and name HA ) 3.96 0.88 1.13 assign (resid 125 and name HN)((resid 126 and name HB#) or (resid 137 and name HG1#) or (resid 108 and name HG2#)) 3.84 0.85 1.10 assign (resid 126 and name HN )(resid 125 and name HB1 ) 3.72 0.83 1.06 assign (resid 126 and name HN )(resid 125 and (name HB2 or name HE# )) 3.70 0.82 1.05 assign (resid 126 and name HN )(resid 125 and name HG1 ) 4.54 1.01 1.29 assign (resid 126 and name HN )(resid 125 and name HG2 ) 4.98 1.10 1.42 assign (resid 126 and name HN )(resid 124 and name HN ) 5.17 1.15 1.47 assign (resid 124 and name HN )(resid 126 and name HN ) 4.57 1.01 1.30 assign (resid 124 and name HN )((resid 126 and name HB# ) or (resid 137 and name HG1# )) 4.56 1.01 1.30 assign (resid 126 and name HN )(resid 124 and name HA1 ) 4.42 0.98 1.26 assign (resid 126 and name HB# )(resid 124 and name HA1 ) 4.42 0.97 1.26 assign (resid 126 and name HN )(resid 124 and name HA2 ) 4.15 0.92 1.18 ! M125 assign (resid 125 and name HN )((resid 125 or resid 123) and name HA ) 2.90 0.64 0.83 assign (resid 125 and name HN )(resid 125 and name HB1 ) 2.71 0.60 0.77 assign (resid 125 and name HN )(resid 125 and name HB2 ) 2.80 0.62 0.80 assign (resid 125 and name HN )(resid 125 and name HG1 ) 3.06 0.68 0.87 assign (resid 125 and name HN )(resid 125 and name HG2 ) 2.80 0.62 0.80 assign (resid 125 and name HE# )(resid 125 and name HN ) 6.18 1.35 1.73 assign (resid 125 and name HE# )(resid 125 and name HA ) 4.34 0.95 1.22 assign (resid 125 and name HN )(resid 124 and name HN ) 3.74 0.83 1.07 assign (resid 124 and name HN )(resid 125 and name HN ) 3.73 0.83 1.06 assign (resid 125 and name HN )(resid 124 and name HA1 ) 2.72 0.60 0.78 assign (resid 124 and name HA1 )(resid 125 and name HN ) 3.19 0.70 0.89 assign (resid 125 and name HN )(resid 124 and name HA2 ) 2.78 0.62 0.79 assign (resid 124 and name HA2 )(resid 125 and name HN ) 2.64 0.58 0.74 assign (resid 123 and name HA )(resid 125 and name HN ) 4.40 0.96 1.23 assign (resid 125 and name HN )(resid 107 and name HA ) 5.05 1.12 1.44 assign (resid 125 and name HN )(resid 107 and name HB2 ) 4.52 1.00 1.29 assign (resid 125 and name HE# )(resid 104 and name HN ) 4.68 1.02 1.31 assign (resid 125 and name HE# )((resid 104 and name HA ) or (resid 107 and name HB2 )) 4.03 0.88 1.13 assign (resid 125 and name HE# )(((resid 104 or resid 126) and name HB# ) or (resid 108 and name HG2# )) 4.35 0.95 1.22 assign (resid 125 and name HE# )(resid 103 and name HN ) 6.32 1.38 1.77 assign (resid 125 and name HE# )(resid 103 and name HD1 ) 5.75 1.26 1.61 assign (resid 125 and name HE# )((resid 103 and name HD2 ) or (resid 101 and name HB1 )) 5.56 1.22 1.56 assign (resid 125 and name HE# )(resid 103 and name HE ) 6.02 1.32 1.69 assign (resid 101 and name HD22 )(resid 125 and name HE# ) 5.55 1.23 1.58 assign (resid 125 and name HE# )(resid 101 and name HD22 ) 6.69 1.47 1.87 ! G124 assign (resid 124 and name HN )(resid 124 and name HA1 ) 2.95 0.66 0.84 assign (resid 124 and name HA1 )(resid 124 and name HN ) 3.50 0.77 0.98 assign (resid 124 and name HN )(resid 124 and name HA2 ) 2.76 0.61 0.79 assign (resid 124 and name HA2 )(resid 124 and name HN ) 2.72 0.60 0.76 assign (resid 124 and name HN )(resid 123 and name HN ) 4.33 0.96 1.24 assign (resid 124 and name HA1 )(resid 123 and name HA ) 3.69 0.81 1.03 assign (resid 124 and name HA1 )(resid 123 and name HB ) 3.99 0.87 1.12 assign (resid 123 and name HN )(resid 124 and name HN ) 4.00 0.89 1.14 assign (resid 123 and name HN )(resid 124 and name HA1 ) 5.32 1.18 1.52 assign (resid 124 and name HN )(resid 123 and name HA ) 2.17 0.48 0.62 assign (resid 123 and name HA )(resid 124 and name HN ) 2.15 0.47 0.60 assign (resid 124 and name HN )(resid 123 and name HB ) 3.54 0.78 1.01 assign (resid 124 and name HN )(resid 123 and name HG* ) 2.82 0.63 0.80 assign (resid 123 and name HG1# )(resid 124 and name HN ) 3.52 0.77 0.99 assign (resid 124 and name HN )(resid 107 and name HA ) 5.70 1.27 1.63 assign (resid 124 and name HN )(resid 107 and name HB2 ) 5.73 1.27 1.63 assign (resid 107 and name HN )((resid 124 and name HA2 ) or (resid 105 and name HA )) 4.88 1.08 1.39 ! V123 assign (resid 123 and name HN )(resid 123 and name HA ) 2.82 0.63 0.81 assign (resid 123 and name HA )(resid 123 and name HN ) 2.90 0.64 0.81 assign (resid 123 and name HN )(resid 123 and name HB ) 3.12 0.69 0.89 assign (resid 123 and name HN )(resid 123 and name HG* ) 2.49 0.55 0.70 assign (resid 123 and name HG1# )(resid 123 and name HN ) 4.01 0.88 1.12 assign (resid 123 and name HG2# )(resid 123 and name HN ) 3.03 0.66 0.85 assign (resid 123 and name HN )(resid 122 and name HA ) 2.29 0.51 0.65 assign (resid 123 and name HN )((resid 122 and name HB1 ) or (resid 137 and name HG1# )) 3.25 0.72 0.93 assign (resid 123 and name HA )((resid 122 and name HB1 ) or (resid 137 and name HG1# )) 3.38 0.74 0.95 assign (resid 123 and name HN )((resid 122 and name HB2 ) or (resid 106 and name HD2# )) 3.21 0.71 0.92 assign (resid 123 and name HA )((resid 122 and name HB2 ) or (resid 106 and name HD2# )) 3.89 0.85 1.09 assign (resid 123 and name HN )(resid 122 and name HG1 ) 4.33 0.96 1.24 assign (resid 123 and name HN )(resid 122 and name HG2 ) 3.83 0.85 1.09 assign (resid 123 and name HN )(resid 122 and name HD1 ) 4.64 1.03 1.32 assign (resid 123 and name HN )(resid 122 and name HD2 ) 5.07 1.13 1.45 assign (resid 123 and name HN )(resid 121 and name HA ) 4.95 1.10 1.41 assign (resid 121 and name HN )(resid 123 and name HG* ) 5.26 1.17 1.50 assign (resid 123 and name HN )((resid 110 or resid 120) and name HB2 ) 4.34 0.96 1.24 assign (resid 123 and name HN )(resid 120 and name HD1 ) 4.37 0.97 1.25 assign (resid 120 and name HD1 )(resid 123 and name HN ) 4.60 1.03 1.32 assign (resid 120 and name HD1 )((resid 123 or resid 119) and name HA ) 5.40 1.21 1.55 assign (resid 123 and name HN )(resid 120 and name HE1 ) 3.75 0.83 1.07 assign (resid 120 and name HE1 )(resid 123 and name HN ) 3.45 0.77 0.98 assign (resid 120 and name HE1 )(resid 123 and name HG* ) 3.19 0.71 0.91 assign (resid 120 and name HZ2 )(resid 123 and name HG* ) 2.92 0.65 0.83 assign (resid 120 and name HH2 )(resid 123 and name HG* ) 3.00 0.67 0.86 assign (resid 120 and name HZ3 )(resid 123 and name HG* ) 3.60 0.80 1.03 assign (resid 123 and name HN )(resid 110 and name HB1 ) 5.06 1.12 1.44 assign (resid 110 and name HN )(resid 123 and name HN ) 4.84 1.08 1.38 assign (resid 123 and name HN )(resid 107 and name HA ) 3.96 0.88 1.13 assign (resid 123 and name HG2# )(resid 107 and name HA ) 3.23 0.71 0.91 ! P122 assign (resid 121 and name HN )(resid 122 and name HD1 ) 4.99 1.11 1.42 assign (resid 121 and name HN )(resid 122 and name HD2 ) 4.45 0.99 1.27 assign (resid 121 and name HA )(resid 122 and name HD1 ) 2.41 0.53 0.67 assign (resid 121 and name HA )(resid 122 and name HD2 ) 2.34 0.51 0.66 assign (resid 120 and name HD1 )(resid 122 and name HA ) 3.71 0.83 1.07 assign (resid 120 and name HE1 )(resid 122 and name HA ) 2.81 0.62 0.80 assign (resid 120 and name HE1 )(resid 122 and name HB2 ) 3.94 0.87 1.12 assign (resid 120 and name HE1 )(resid 122 and name HG1 ) 3.80 0.84 1.08 assign (resid 110 and name HN )((resid 122 and name HA ) or (resid 111 and name HA )) 3.57 0.79 1.02 assign (resid 110 and name HN)((resid 122 and name HB1) or (resid 137 and name HG1#) or (resid 108 and name HG2#)) 4.18 0.93 1.19 assign (resid 110 and name HN )((resid 122 and name HB2 ) or (resid 106 and name HD2# )) 4.81 1.07 1.37 assign (resid 110 and name HN )(resid 122 and name HG2 ) 4.65 1.03 1.33 assign (resid 110 and name HN )((resid 122 and name HD1 ) or (resid 124 and name HA2 )) 5.41 1.20 1.54 ! K121 assign (resid 121 and name HA )(resid 121 and name HN ) 2.85 0.63 0.80 assign (resid 121 and name HN )(resid 121 and name HB1 ) 3.24 0.72 0.93 assign (resid 121 and name HN )(resid 121 and (name HB2 or name HG1 )) 2.78 0.62 0.79 assign (resid 121 and name HN )(resid 121 and name HD# ) 4.35 0.96 1.24 assign (resid 121 and name HN )(resid 120 and name HN ) 4.29 0.95 1.22 assign (resid 120 and name HN )(resid 121 and name HN ) 3.98 0.88 1.13 assign (resid 120 and name HA )(resid 121 and name HN ) 2.08 0.46 0.58 assign (resid 121 and name HN )(resid 120 and name HB1 ) 3.94 0.87 1.12 assign (resid 121 and name HN )(resid 120 and name HB2 ) 3.88 0.86 1.11 assign (resid 121 and name HN )(resid 120 and name HE1 ) 5.97 1.32 1.70 assign (resid 121 and name HN )(resid 120 and name HE3 ) 3.34 0.74 0.95 assign (resid 120 and name HE3 )(resid 121 and name HN ) 2.83 0.63 0.81 assign (resid 121 and name HN )(resid 119 and name HA ) 5.80 1.29 1.66 assign (resid 119 and name HA )(resid 121 and name HN ) 4.49 0.98 1.26 assign (resid 121 and name HN )(resid 113 and name HD1# ) 5.76 1.28 1.64 ! W120 assign (resid 120 and name HN )(resid 120 and name HA ) 2.89 0.64 0.82 assign (resid 120 and name HA )(resid 120 and name HN ) 2.78 0.61 0.78 assign (resid 120 and name HN )(resid 120 and name HB1 ) 2.81 0.62 0.80 assign (resid 120 and name HN )(resid 120 and name HB2 ) 2.89 0.64 0.82 assign (resid 120 and name HN )(resid 120 and name HD1 ) 4.15 0.92 1.18 assign (resid 120 and name HD1 )(resid 120 and name HN ) 4.60 1.03 3.00 assign (resid 120 and name HD1 )(resid 120 and name HA ) 4.64 1.04 1.33 assign (resid 120 and name HN )(resid 120 and name HE3 ) 3.85 0.85 1.10 assign (resid 120 and name HE3 )(resid 120 and name HN ) 3.34 0.74 0.96 assign (resid 120 and name HA )(resid 120 and name HE3 ) 2.88 0.63 0.81 assign (resid 120 and name HE3 )(resid 120 and name HA ) 2.51 0.56 0.72 assign (resid 120 and name HE3 )(resid 120 and name HB1 ) 3.66 0.82 1.05 assign (resid 120 and name HN )(resid 119 and name HN ) 2.70 0.60 0.77 assign (resid 119 and name HN )(resid 120 and name HN ) 2.68 0.59 0.76 assign (resid 120 and name HN )(resid 119 and name HA ) 3.05 0.68 0.87 assign (resid 119 and name HA )(resid 120 and name HN ) 3.48 0.76 0.97 assign (resid 120 and name HN )(resid 119 and name HB1 ) 3.65 0.81 1.04 assign (resid 120 and name HN )(resid 119 and name HB2 ) 3.70 0.82 1.06 assign (resid 120 and name HN )(resid 119 and name HG1 ) 4.11 0.91 1.17 assign (resid 120 and name HN )(resid 119 and name HG2 ) 5.06 1.12 1.44 assign (resid 120 and name HN )(resid 119 and name HD# ) 5.42 1.20 1.55 assign (resid 120 and name HN )(resid 118 and name HN ) 4.13 0.92 1.18 assign (resid 118 and name HN )(resid 120 and name HN ) 4.54 1.01 1.29 assign (resid 120 and name HN )(resid 118 and name HA ) 4.53 1.00 1.29 assign (resid 120 and name HN )(resid 118 and name HG2# ) 5.79 1.29 1.65 assign (resid 120 and name HN )(resid 113 and name HD1# ) 3.65 0.81 1.04 assign (resid 120 and name HD1 )(resid 113 and name HD1# ) 3.39 0.76 0.98 assign (resid 113 and name HD1# )(resid 120 and name HD1 ) 3.63 0.80 1.02 assign (resid 120 and name HE1 )(resid 113 and name HD1# ) 4.03 0.89 1.15 assign (resid 110 and name HN )(resid 120 and name HD1 ) 3.59 0.80 1.02 assign (resid 120 and name HD1 )(resid 110 and name HN ) 3.75 0.84 1.08 assign (resid 110 and name HN )(resid 120 and name HE1 ) 3.30 0.73 0.94 assign (resid 110 and name HA )(resid 120 and name HD1 ) 2.70 0.59 0.76 assign (resid 120 and name HD1 )(resid 110 and name HA ) 2.94 0.66 0.84 assign (resid 110 and name HA )(resid 120 and name HE1 ) 3.62 0.79 1.01 assign (resid 120 and name HE1 )(resid 110 and name HN ) 3.18 0.71 0.91 assign (resid 120 and name HE1 )(resid 110 and name HA ) 3.19 0.71 0.91 assign (resid 120 and name HD1 )(resid 110 and name HB1 ) 3.13 0.70 0.90 assign (resid 120 and name HD1 )(resid 110 and name HB2 ) 2.81 0.63 0.81 assign (resid 120 and name HE1 )(resid 110 and name HB1 ) 3.33 0.74 0.95 assign (resid 120 and name HE1 )(resid 110 and name HB2 ) 3.05 0.68 0.87 assign (resid 120 and name HD1 )(resid 110 and name HD2 ) 3.76 0.84 1.08 assign (resid 120 and name HE1 )(resid 110 and name HD2 ) 4.37 0.97 1.25 assign (resid 110 and name HD2 )(resid 120 and name HE1 ) 4.93 1.10 1.42 assign (resid 110 and name HN )(resid 120 and name HZ2 ) 4.97 1.10 1.42 assign (resid 109 and name HN )(resid 120 and name HE1 ) 4.98 1.11 1.42 assign (resid 120 and name HE1 )(resid 109 and name HN ) 4.38 0.97 1.25 assign (resid 120 and name HE1 )(resid 109 and name HB# ) 3.48 0.77 0.99 assign (resid 120 and name HE1 )(resid 109 and name HE# ) 3.89 0.86 1.11 assign (resid 109 and name HN )(resid 120 and name HZ2 ) 4.30 0.95 1.23 assign (resid 120 and name HH2 )(resid 106 and name HD2# ) 2.98 0.67 0.86 assign (resid 106 and name HD2# )(resid 120 and name HH2 ) 3.55 0.78 0.99 ! K119 assign (resid 119 and name HN )(resid 119 and name HA ) 2.46 0.55 0.70 assign (resid 119 and name HA )(resid 119 and name HN ) 2.77 0.61 0.78 assign (resid 119 and name HN )(resid 119 and name HB1 ) 2.80 0.62 0.80 assign (resid 119 and name HN )(resid 119 and name HB2 ) 2.85 0.63 0.81 assign (resid 119 and name HN )(resid 119 and name HG1 ) 2.92 0.65 0.83 assign (resid 119 and name HN )(resid 119 and name HG2 ) 3.27 0.73 0.93 assign (resid 119 and name HA )(resid 119 and name HG1 ) 2.73 0.60 0.76 assign (resid 119 and name HA )(resid 119 and name HG2 ) 2.91 0.64 0.81 assign (resid 119 and name HN )(resid 119 and name HD# ) 3.71 0.82 1.06 assign (resid 119 and name HN )(resid 118 and name HN ) 2.57 0.57 0.73 assign (resid 118 and name HN )(resid 119 and name HN ) 2.88 0.64 0.82 assign (resid 118 and name HN )(resid 119 and name HG2 ) 4.77 1.06 1.36 assign (resid 119 and name HN )(resid 118 and name HA ) 3.03 0.67 0.87 assign (resid 118 and name HA )(resid 119 and name HN ) 3.17 0.69 0.89 assign (resid 119 and name HN )(resid 118 and name HG2# ) 3.79 0.84 1.08 assign (resid 119 and name HA )(resid 118 and name HG2# ) 4.75 1.04 1.33 assign (resid 119 and name HN )((resid 117 and name HN ) or (resid 120 and name HE3 )) 4.78 1.06 1.36 assign (resid 119 and name HN )(resid 117 and name HB1 ) 5.21 1.16 1.49 assign (resid 119 and name HN )(resid 117 and name HB2 ) 6.13 1.36 1.75 assign (resid 119 and name HN )(resid 113 and (name HD1# or name HB2 )) 5.11 1.13 1.46 ! T118 assign (resid 118 and name HN )(resid 118 and name HA ) 3.06 0.68 0.87 assign (resid 118 and name HA )(resid 118 and name HN ) 3.04 0.67 0.85 assign (resid 118 and name HN )(resid 118 and name HB ) 3.33 0.74 0.95 assign (resid 118 and name HN )(resid 118 and name HG2# ) 3.10 0.69 0.88 assign (resid 118 and name HG2# )(resid 118 and name HN ) 3.50 0.77 0.98 assign (resid 118 and name HN )(resid 117 and name HN ) 4.07 0.90 1.16 assign (resid 117 and name HN )(resid 118 and name HN ) 4.07 0.90 1.16 assign (resid 117 and name HN )(resid 118 and name HA ) 5.47 1.21 1.56 assign (resid 117 and name HN )(resid 118 and name HG2# ) 4.47 0.99 1.28 assign (resid 118 and name HN )(resid 117 and name HA ) 2.32 0.52 0.66 assign (resid 118 and name HN )(resid 117 and name HB1 ) 4.13 0.92 1.18 assign (resid 118 and name HN )(resid 117 and name HB2 ) 4.27 0.95 1.22 assign (resid 118 and name HN )(resid 117 and name HG1 ) 3.68 0.82 1.05 assign (resid 118 and name HN )(resid 117 and name HG2 ) 3.84 0.85 1.10 assign (resid 118 and name HN )(resid 116 and name HN ) 6.41 1.42 1.83 assign (resid 118 and name HN )(resid 116 and name HA2 ) 5.65 1.25 1.61 assign (resid 116 and name HN )(resid 118 and name HA ) 6.04 1.34 1.72 assign (resid 116 and name HN )(resid 118 and name HG2# ) 4.98 1.11 1.42 assign (resid 118 and name HG2# )(resid 116 and name HA2 ) 4.66 1.02 1.30 assign (resid 116 and name HA2 )(resid 118 and name HG2# ) 3.91 0.86 1.09 assign (resid 118 and name HN )(resid 114 and name HD1 ) 5.34 1.19 1.52 assign (resid 118 and name HN )(resid 114 and name HE1 ) 5.44 1.21 1.55 ! E117 assign (resid 117 and name HA )(resid 117 and name HN ) 3.00 0.66 0.84 assign (resid 117 and name HN )(resid 117 and name HB1 ) 2.77 0.61 0.79 assign (resid 117 and name HN )(resid 117 and name HB2 ) 2.84 0.63 0.81 assign (resid 117 and name HN )(resid 117 and name HG1 ) 3.50 0.78 1.00 assign (resid 117 and name HN )(resid 117 and name HG2 ) 3.71 0.82 1.06 assign (resid 117 and name HN )(resid 116 and name HN ) 3.08 0.68 0.88 assign (resid 116 and name HN )(resid 117 and name HN ) 2.96 0.66 0.85 assign (resid 116 and name HA1 )(resid 117 and name HN ) 3.04 0.67 0.85 assign (resid 117 and name HN )(resid 116 and name HA2 ) 3.27 0.73 0.93 assign (resid 116 and name HA2 )(resid 117 and name HN ) 3.38 0.74 0.95 assign (resid 117 and name HN )(resid 115 and name HN ) 5.30 1.18 1.51 assign (resid 117 and name HN )(resid 115 and name HA ) 5.30 1.18 1.51 assign (resid 115 and name HA )((resid 117 and name HN ) or (resid 114 and name HE3 )) 3.55 0.78 1.00 assign (resid 117 and name HN )(resid 115 and name HB# ) 4.17 0.93 1.19 assign (resid 117 and name HN )(resid 114 and name HN ) 6.18 1.37 1.76 assign (resid 114 and name HN )(resid 117 and name HB1 ) 4.11 0.91 1.17 assign (resid 114 and name HN )((resid 117 and name HB2 ) or (resid 162 and name HG2# )) 4.64 1.03 1.32 assign (resid 114 and name HN )(resid 117 and name HG1 ) 5.20 1.15 1.48 assign (resid 114 and name HN )(resid 117 and name HG2 ) 5.01 1.11 1.43 assign (resid 117 and name HN )(resid 114 and name HD1 ) 3.45 0.76 0.98 assign (resid 114 and name HD1 )(resid 117 and name HN ) 3.85 0.86 1.11 assign (resid 114 and name HD1 )(resid 117 and name HA ) 4.30 0.96 1.24 assign (resid 114 and name HD1 )(resid 117 and name HB1 ) 5.60 1.25 1.61 assign (resid 114 and name HD1 )(resid 117 and name HB2 ) 5.21 1.16 1.50 assign (resid 117 and name HN )(resid 114 and name HE1 ) 4.41 0.98 1.26 assign (resid 114 and name HN )((resid 112 or resid 117) and name HA ) 4.91 1.09 1.40 assign (resid 114 and name HE1 )(resid 117 and name HA ) 3.57 0.79 1.02 assign (resid 114 and name HE1 )(resid 117 and name HB2 ) 3.43 0.76 0.98 assign (resid 114 and name HZ2 )(resid 117 and name HA ) 5.24 1.17 1.51 assign (resid 114 and name HZ2 )(resid 117 and name HG1 ) 4.21 0.94 1.21 assign (resid 114 and name HZ2 )(resid 117 and name HG2 ) 4.90 1.09 1.41 assign (resid 117 and name HN )(resid 113 and (name HB2 or name HD1# )) 4.72 1.05 1.35 assign (resid 117 and name HN )(resid 113 and name HD2# ) 5.82 1.29 1.66 ! G116 assign (resid 116 and name HN )(resid 116 and name HA1 ) 2.66 0.59 0.76 assign (resid 116 and name HA1 )(resid 116 and name HN ) 2.29 0.50 0.65 assign (resid 116 and name HN )(resid 116 and name HA2 ) 2.59 0.57 0.74 assign (resid 116 and name HA2 )(resid 116 and name HN ) 2.76 0.61 0.77 assign (resid 116 and name HN )(resid 115 and name HN ) 4.32 0.96 1.23 assign (resid 115 and name HN )(resid 116 and name HN ) 3.81 0.85 1.09 assign (resid 115 and name HN )(resid 116 and name HA1 ) 4.74 1.05 1.35 assign (resid 115 and name HN )(resid 116 and name HA2 ) 5.82 1.29 1.66 assign (resid 116 and name HN )(resid 115 and name HA ) 2.20 0.49 0.63 assign (resid 116 and name HN )(resid 115 and name HB# ) 2.57 0.57 0.73 assign (resid 115 and name HA )(resid 116 and name HA2 ) 3.76 0.82 1.05 assign (resid 116 and name HA1 )(resid 115 and name HB# ) 3.50 0.77 0.98 assign (resid 116 and name HA2 )(resid 115 and name HB# ) 3.91 0.86 1.09 assign (resid 115 and name HB# )(resid 116 and name HA2 ) 3.70 0.81 1.04 assign (resid 116 and name HN )(resid 114 and name HA ) 4.50 1.00 1.28 assign (resid 116 and name HN )(resid 114 and name HB1 ) 5.36 1.19 1.53 assign (resid 116 and name HN )(resid 114 and name HD1 ) 3.79 0.84 1.08 assign (resid 116 and name HN )(resid 114 and name HE1 ) 6.03 1.34 1.72 ! A115 assign (resid 115 and name HN )(resid 115 and name HA ) 2.90 0.64 0.83 assign (resid 115 and name HN )(resid 115 and name HB# ) 2.33 0.52 0.67 assign (resid 115 and name HN )(resid 114 and name HN ) 4.21 0.93 1.20 assign (resid 114 and name HN )(resid 115 and name HN ) 3.65 0.81 1.04 assign (resid 115 and name HN )(resid 114 and name HA ) 2.39 0.53 0.68 assign (resid 115 and name HN )(resid 114 and name HB2 ) 2.85 0.63 0.81 assign (resid 115 and name HN )(resid 114 and name HD1 ) 4.02 0.89 1.15 assign (resid 115 and name HN )(resid 114 and name HE1 ) 6.48 1.43 1.85 assign (resid 115 and name HB# )(resid 114 and name HA ) 3.22 0.71 0.90 assign (resid 115 and name HA )(resid 114 and name HB# ) 4.16 0.91 1.17 assign (resid 115 and name HB# )(resid 114 and name HB# ) 3.57 0.78 1.00 assign (resid 114 and name HE3 )(resid 115 and name HN ) 5.00 1.11 1.43 assign (resid 115 and name HN )((resid 113 and name HN ) or (resid 155 and name HD# )) 6.43 1.43 1.83 assign (resid 113 and name HN )(resid 115 and name HN ) 5.14 1.14 1.47 assign (resid 115 and name HN )(resid 113 and name HA ) 5.53 1.23 1.58 assign (resid 115 and name HN )(resid 113 and (name HB2 or name HD1# )) 5.92 1.31 1.69 assign (resid 115 and name HA )(resid 113 and (name HB2 or name HD1# )) 4.47 0.98 1.25 assign (resid 115 and name HN )(resid 113 and name HD2# ) 6.37 1.41 1.82 assign (resid 115 and name HN )(resid 112 and name HA ) 5.98 1.33 1.71 assign (resid 115 and name HN )(resid 112 and name HG2# ) 6.64 1.47 1.89 ! W114 assign (resid 114 and name HN )(resid 114 and name HA ) 2.71 0.60 0.77 assign (resid 114 and name HA )(resid 114 and name HN ) 2.81 0.62 0.79 assign (resid 114 and name HN )(resid 114 and name HB# ) 2.76 0.61 0.79 assign (resid 114 and name HD1 )(resid 114 and name HN ) 5.84 1.30 1.68 assign (resid 114 and name HD1 )(resid 114 and name HA ) 4.60 1.03 1.32 assign (resid 114 and name HZ3 )(resid 114 and name HN ) 4.33 0.97 1.25 assign (resid 114 and name HN )(resid 114 and name HE3 ) 2.42 0.54 0.69 assign (resid 114 and name HE3 )(resid 114 and name HN ) 2.71 0.60 0.78 assign (resid 114 and name HA )(resid 114 and name HE3 ) 3.19 0.70 0.89 assign (resid 114 and name HE3 )(resid 114 and name HA ) 3.96 0.88 1.14 assign (resid 114 and name HN )(resid 113 and name HN ) 3.35 0.74 0.95 assign (resid 113 and name HN )(resid 114 and name HN ) 3.83 0.85 1.09 assign (resid 113 and name HN )(resid 114 and name HE3 ) 5.06 1.12 1.44 assign (resid 114 and name HN )(resid 113 and name HA ) 2.28 0.51 0.65 assign (resid 113 and name HA )(resid 114 and name HN ) 2.28 0.50 0.65 assign (resid 114 and name HZ3 )(resid 113 and name HA ) 4.00 0.89 1.15 assign (resid 113 and name HA )(resid 114 and name HE3 ) 3.25 0.72 0.93 assign (resid 114 and name HE3 )(resid 113 and name HA ) 3.19 0.71 0.92 assign (resid 114 and name HN )(resid 113 and name HB1 ) 3.11 0.69 0.89 assign (resid 114 and name HN )(resid 113 and (name HB2 or name HD1# )) 2.70 0.60 0.77 assign (resid 113 and name HD1# )(resid 114 and name HN ) 3.07 0.67 0.86 assign (resid 114 and name HN )(resid 113 and name HG ) 3.56 0.79 1.01 assign (resid 114 and name HN )(resid 113 and name HD2# ) 2.74 0.61 0.78 assign (resid 113 and name HD2# )(resid 114 and name HN ) 3.01 0.66 0.84 assign (resid 114 and name HZ3 )(resid 113 and name HD2# ) 4.15 0.93 1.19 assign (resid 113 and name HD2# )((resid 114 and name HZ3 ) or (resid 112 and name HN )) 3.31 0.74 0.95 assign (resid 114 and name HE3 )(resid 113 and name HD2# ) 3.83 0.86 1.10 assign (resid 113 and name HD2# )(resid 114 and name HE3 ) 3.58 0.78 1.00 assign (resid 112 and name HA )(resid 114 and name HN ) 4.95 1.10 1.41 assign (resid 114 and name HN )((resid 111 and name HB ) or ((resid 110 or resid 115) and name HA )) 4.34 0.96 1.24 ! L113 assign (resid 113 and name HN )(resid 113 and name HA ) 2.99 0.66 0.85 assign (resid 113 and name HA )(resid 113 and name HN ) 2.80 0.61 0.78 assign (resid 113 and name HN )(resid 113 and name HB1 ) 2.80 0.62 0.80 assign (resid 113 and name HN )(resid 113 and (name HB2 or name HD1# )) 2.76 0.61 0.79 assign (resid 113 and name HN )(resid 113 and name HG ) 2.67 0.59 0.76 assign (resid 113 and name HD1# )(resid 113 and name HN ) 2.84 0.62 0.79 assign (resid 113 and name HD1# )(resid 113 and name HA ) 3.03 0.67 0.85 assign (resid 113 and name HN )(resid 113 and name HD2# ) 3.26 0.72 0.93 assign (resid 113 and name HD2# )(resid 113 and name HN ) 3.59 0.79 1.01 assign (resid 113 and name HA )(resid 113 and name HD2# ) 2.35 0.51 0.66 assign (resid 113 and name HD2# )(resid 113 and name HA ) 2.30 0.50 0.64 assign (resid 113 and name HN )(resid 112 and name HN ) 2.51 0.56 0.72 assign (resid 112 and name HN )(resid 113 and name HN ) 2.47 0.55 0.71 assign (resid 113 and name HD1# )(resid 112 and name HN ) 3.40 0.74 0.95 assign (resid 113 and name HN )(resid 112 and name HA ) 3.16 0.70 0.90 assign (resid 112 and name HA )(resid 113 and name HN ) 4.06 0.89 1.14 assign (resid 113 and name HN )(resid 112 and name HB ) 4.21 0.93 1.20 assign (resid 113 and name HN )(resid 112 and name HG1# ) 4.18 0.93 1.19 assign (resid 113 and name HN )(resid 112 and name HG2# ) 3.32 0.74 0.95 assign (resid 112 and name HN )(resid 113 and name HB1 ) 4.12 0.91 1.18 assign (resid 112 and name HN )(resid 113 and name HG ) 3.68 0.82 1.05 assign (resid 112 and name HN )(resid 113 and (name HB2 or name HD1# )) 3.96 0.88 1.13 assign (resid 112 and name HN )(resid 113 and name HD2# ) 4.63 1.03 1.32 assign (resid 113 and name HN )(resid 111 and name HN ) 4.00 0.89 1.14 assign (resid 111 and name HN )(resid 113 and name HN ) 3.66 0.81 1.05 assign (resid 111 and name HN )(resid 113 and name HD1# ) 5.30 1.18 1.51 assign (resid 113 and name HN )((resid 111 and name HG2# ) or (resid 144 and name HG2# )) 4.96 1.10 1.42 assign (resid 110 and name HN )(resid 113 and name HN ) 5.30 1.18 1.51 assign (resid 110 and name HN )(resid 113 and name HD1# ) 4.18 0.93 1.19 assign (resid 110 and name HN )(resid 113 and name HD2# ) 5.91 1.31 1.69 assign (resid 113 and name HN )(resid 110 and name HA ) 3.43 0.76 0.98 assign (resid 110 and name HA )(resid 113 and name HN ) 3.64 0.81 1.04 assign (resid 110 and name HA )(resid 113 and (name HB2 or name HD1# )) 2.62 0.57 0.73 assign (resid 113 and name HD1# )(resid 110 and name HA ) 2.69 0.59 0.75 assign (resid 113 and name HD1# )(resid 110 and name HB2 ) 2.77 0.61 0.78 assign (resid 113 and name HD2# )(resid 110 and name HA ) 3.49 0.76 0.98 assign (resid 113 and name HN )(resid 109 and name HB# ) 4.85 1.08 1.38 assign (resid 113 and name HN )(resid 109 and name HE# ) 5.55 1.23 1.58 assign (resid 109 and name HN )((resid 113 and name HG ) or (resid 106 and name HB2 )) 5.67 1.26 1.62 assign (resid 109 and name HN )(resid 113 and name HD1# ) 6.77 1.50 1.93 assign (resid 109 and name HN )(resid 113 and name HD2# ) 6.27 1.39 1.79 ! V112 assign (resid 112 and name HN )(resid 112 and name HA ) 2.76 0.61 0.79 assign (resid 112 and name HA )(resid 112 and name HN ) 3.43 0.75 0.96 assign (resid 112 and name HN )(resid 112 and name HB ) 3.51 0.78 1.00 assign (resid 112 and name HN )(resid 112 and name HG1# ) 3.08 0.68 0.88 assign (resid 112 and name HG1# )(resid 112 and name HN ) 2.96 0.65 0.83 assign (resid 112 and name HN )(resid 112 and name HG2# ) 2.56 0.57 0.73 assign (resid 112 and name HG2# )(resid 112 and name HN ) 2.55 0.56 0.72 assign (resid 112 and name HA )(resid 112 and name HG1# ) 3.00 0.66 0.84 assign (resid 112 and name HG1# )((resid 112 or resid 94) and name HA) 2.66 0.58 0.74 assign (resid 112 and name HA )(resid 112 and name HG2# ) 3.79 0.83 1.06 assign (resid 112 and name HG2# )(resid 112 and name HA ) 3.09 0.68 0.87 assign (resid 112 and name HG1# )((resid 112 or resid 94) and name HA) 3.09 0.68 0.87 assign (resid 112 and name HN )(resid 111 and name HN ) 2.80 0.62 0.80 assign (resid 111 and name HN )(resid 112 and name HN ) 2.74 0.61 0.78 assign (resid 111 and name HN )(resid 112 and name HG1# ) 4.07 0.90 1.16 assign (resid 112 and name HG1# )((resid 111 and name HN ) or (resid 94 and name HD1 )) 4.10 0.90 1.15 assign (resid 111 and name HN )(resid 112 and name HG2# ) 3.77 0.84 1.08 assign (resid 112 and name HG2# )(resid 111 and name HN ) 3.79 0.83 1.06 assign (resid 112 and name HN )(resid 111 and name HA ) 3.35 0.74 0.96 assign (resid 111 and name HA )(resid 112 and name HN ) 3.40 0.74 0.95 assign (resid 112 and name HN )((resid 111 and name HB ) or (resid 110 and name HA )) 3.29 0.73 0.94 assign (resid 112 and name HN )(resid 111 and name HG2# ) 3.77 0.84 1.07 assign (resid 111 and name HG2# )(resid 112 and name HN ) 4.69 1.03 1.31 assign (resid 112 and name HG1# )(resid 111 and name HA ) 3.87 0.74 0.95 assign (resid 112 and name HG1# )(resid 111 and name HG2# ) 4.15 0.91 1.16 assign (resid 111 and name HG2# )(resid 112 and name HG1# ) 4.53 0.99 1.27 assign (resid 112 and name HG2# )(resid 111 and name HA ) 3.99 0.87 1.12 assign (resid 112 and name HN )(resid 110 and name HN ) 4.40 0.98 1.25 assign (resid 110 and name HN )(resid 112 and name HN ) 3.98 0.88 1.13 assign (resid 110 and name HN )(resid 112 and name HG2# ) 4.55 1.01 1.30 assign (resid 112 and name HN )(resid 110 and name HB2 ) 5.25 1.17 1.50 assign (resid 109 and name HN )((resid 94 and name HH2 ) or (resid 112 and name HN )) 4.66 1.03 1.33 assign (resid 109 and name HN )(resid 112 and name HG2# ) 4.31 0.96 1.23 assign (resid 109 and name HA )((resid 112 and name HG1# ) or (resid 94 and name HE1 )) 3.30 0.72 0.92 assign (resid 109 and name HA )(resid 112 and name HG2# ) 2.93 0.64 0.82 assign (resid 112 and name HG2# )(resid 109 and name HA ) 2.88 0.63 0.81 assign (resid 112 and name HN )((resid 109 or resid 133) and name HA ) 3.44 0.76 0.98 assign (resid 112 and name HN )(resid 109 and (name HB# or name HG# )) 4.40 0.98 1.25 assign (resid 112 and name HA )(resid 109 and (name HB# or name HG# )) 4.22 0.92 1.18 assign (resid 112 and name HG1# )((resid 109 and name HB# ) or (resid 91 and name HG12 )) 3.10 0.68 0.87 assign (resid 109 and name HE# )(resid 112 and name HG2# ) 4.61 1.01 1.29 assign (resid 112 and name HN )(resid 108 and name HB ) 5.35 1.19 1.53 assign (resid 112 and name HN )(resid 94 and name HE1 ) 5.23 1.16 1.49 assign (resid 94 and name HN )(resid 112 and name HG1# ) 3.49 0.77 1.00 assign (resid 112 and name HG1# )(resid 94 and name HN ) 3.64 0.80 1.02 assign (resid 112 and name HG1# )(resid 94 and name HB2 ) 2.92 0.64 0.82 assign (resid 94 and name HN )(resid 112 and name HG2# ) 4.14 0.92 1.18 assign (resid 94 and name HA )(resid 112 and name HG1# ) 3.08 0.67 0.86 assign (resid 94 and name HE1 )(resid 112 and name HG1# ) 5.04 1.12 1.44 assign (resid 94 and name HE1 )(resid 112 and name HG2# ) 4.44 0.99 1.27 assign (resid 94 and name HZ2 )(resid 112 and name HG2# ) 3.67 0.82 1.06 assign (resid 94 and name HE3 )(resid 112 and name HG1# ) 3.34 0.75 0.96 assign (resid 94 and name HE3 )(resid 112 and name HG2# ) 3.43 0.77 0.99 assign (resid 93 and name HN )(resid 112 and name HG1# ) 4.82 1.07 1.38 assign (resid 91 and name HN )(resid 112 and name HG1# ) 4.10 0.91 1.17 assign (resid 112 and name HG1# )(resid 91 and name HN ) 4.06 0.89 1.14 assign (resid 91 and name HN )(resid 112 and name HG2# ) 4.37 0.97 1.25 assign (resid 91 and name HA )(resid 112 and name HG1# ) 3.00 0.66 0.84 assign (resid 91 and name HA )(resid 112 and name HG2# ) 3.04 0.67 0.85 assign (resid 112 and name HG2# )(resid 91 and name HA ) 3.37 0.74 0.94 assign (resid 91 and name HG2# )(resid 112 and name HG2# ) 3.16 0.69 0.88 assign (resid 91 and name HD# )(resid 112 and name HG2# ) 3.37 0.74 0.94 assign (resid 90 and name HN )(resid 112 and name HG1# ) 5.46 1.21 1.56 ! T111 assign (resid 111 and name HN )(resid 111 and name HA ) 2.65 0.58 0.76 assign (resid 111 and name HA )(resid 111 and name HN ) 2.74 0.60 0.77 assign (resid 111 and name HN )(resid 111 and name HG2# ) 2.38 0.53 0.68 assign (resid 111 and name HG2# )(resid 111 and name HN ) 2.52 0.55 0.71 assign (resid 111 and name HN )(resid 110 and name HN ) 2.97 0.66 0.85 assign (resid 110 and name HN )((resid 111 and name HN ) or (resid 110 and name HD2 )) 2.69 0.60 0.77 assign (resid 111 and name HN )(resid 110 and name HB1 ) 4.29 0.95 1.22 assign (resid 111 and name HN )(resid 110 and name HB2 ) 4.40 0.97 1.25 assign (resid 110 and name HN )((resid 111 and name HG2# ) or (resid 144 and name HG2#)) 3.69 0.82 1.05 assign (resid 111 and name HG2# )(resid 110 and name HN ) 4.43 0.97 1.24 assign (resid 110 and name HD2 )(resid 111 and name HG2# ) 4.04 0.90 1.16 assign (resid 110 and name HE1 )(resid 111 and name HG2# ) 4.86 1.09 1.40 assign (resid 111 and name HN )(resid 109 and name HN ) 4.90 1.09 1.40 assign (resid 111 and name HN )(resid 109 and name HA ) 3.86 0.86 1.10 assign (resid 109 and name HA )(resid 111 and name HN ) 3.71 0.81 1.04 assign (resid 111 and name HN )(resid 109 and name HB# ) 4.93 1.09 1.41 assign (resid 111 and name HN )(resid 108 and name HA ) 4.35 0.97 1.24 assign (resid 111 and name HG2# )(resid 108 and name HA ) 4.20 0.92 1.18 assign (resid 111 and name HN )(resid 108 and name HB ) 4.58 1.02 1.31 assign (resid 111 and name HN )(resid 108 and name HG1 ) 5.56 1.23 1.59 assign (resid 111 and name HN )(resid 108 and name HG2# ) 4.34 0.96 1.24 assign (resid 111 and name HG2# )(resid 108 and name HG2# ) 3.66 0.80 1.03 assign (resid 108 and name HG2# )(resid 111 and name HG2# ) 3.59 0.79 1.00 ! H110 assign (resid 110 and name HN )(resid 110 and name HA ) 2.65 0.59 0.76 assign (resid 110 and name HA )(resid 110 and name HN ) 2.91 0.64 0.82 assign (resid 110 and name HN )(resid 110 and name HB1 ) 3.05 0.68 0.87 assign (resid 110 and name HN )(resid 110 and name HB2 ) 3.01 0.67 0.86 assign (resid 110 and name HN )(resid 110 and name HE1 ) 4.04 0.90 1.15 assign (resid 110 and name HD2 )(resid 110 and name HN ) 6.33 1.41 1.82 assign (resid 110 and name HD2 )(resid 110 and name HA ) 4.27 0.95 1.23 assign (resid 110 and name HD2 )(resid 110 and name HB1 ) 3.37 0.75 0.97 assign (resid 110 and name HD2 )(resid 110 and name HB2 ) 4.12 0.92 1.18 assign (resid 110 and name HN )(resid 109 and name HN ) 3.31 0.74 0.95 assign (resid 109 and name HN )(resid 110 and name HN ) 3.34 0.74 0.95 assign (resid 109 and name HN )(resid 110 and name HE1 ) 4.37 0.97 1.25 assign (resid 110 and name HN )(resid 109 and name HA ) 3.35 0.74 0.96 assign (resid 110 and name HN )(resid 109 and name HB# ) 3.31 0.74 0.95 assign (resid 110 and name HN )(resid 109 and name HG2 ) 4.26 0.95 1.22 assign (resid 110 and name HN )(resid 109 and name HE# ) 5.97 1.32 1.70 assign (resid 110 and name HN )(resid 108 and name HN ) 4.64 1.03 1.32 assign (resid 108 and name HN )(resid 110 and name HN ) 4.28 0.95 1.22 assign (resid 110 and name HN )(resid 108 and name HA ) 3.96 0.88 1.13 assign (resid 110 and name HN )(resid 108 and name HB ) 5.08 1.13 1.45 assign (resid 110 and name HE1 )(resid 108 and name HA ) 2.81 0.63 0.81 assign (resid 110 and name HE1 )(resid 108 and name HB ) 3.68 0.82 1.06 assign (resid 110 and name HE1 )(resid 108 and name HB ) 3.83 0.86 1.10 ! M109 assign (resid 109 and name HN )(resid 109 and name HA ) 2.70 0.60 0.77 assign (resid 109 and name HA )(resid 109 and name HN ) 2.95 0.65 0.83 assign (resid 109 and name HN )(resid 109 and name HB# ) 2.60 0.58 0.74 assign (resid 109 and name HN )(resid 109 and name HG2 ) 3.36 0.75 0.96 assign (resid 109 and name HN )(resid 109 and name HE# ) 4.15 0.92 1.18 assign (resid 109 and name HA )(resid 109 and name HE# ) 3.60 0.79 1.01 assign (resid 109 and name HE# )(resid 109 and name HA ) 4.56 1.00 1.28 assign (resid 109 and name HN )(resid 108 and name HN ) 2.48 0.55 0.71 assign (resid 108 and name HN )(resid 109 and name HN ) 2.50 0.56 0.71 assign (resid 109 and name HN )(resid 108 and name HA ) 3.31 0.74 0.95 assign (resid 109 and name HN )((resid 108 and name HB ) or (resid 124 and name HA1 )) 4.24 0.94 1.21 assign (resid 109 and name HN )(resid 108 and name HG1 ) 3.41 0.76 0.97 assign (resid 109 and name HN )((resid 108 and name HG2# ) or (resid 137 and name HG1# )) 3.32 0.74 0.95 assign (resid 108 and name HG2# )(resid 109 and name HN ) 3.96 0.87 1.11 assign (resid 109 and name HN )(resid 107 and name HN ) 3.77 0.84 1.07 assign (resid 107 and name HN )(resid 109 and name HN ) 3.63 0.81 1.04 assign (resid 109 and name HN )(resid 106 and name HA ) 3.17 0.70 0.90 assign (resid 109 and name HN )(resid 106 and name HG ) 5.18 1.15 1.48 assign (resid 109 and name HN )(resid 106 and name HD2# ) 4.37 0.97 1.25 assign (resid 109 and name HN )((resid 105 and name HA ) or (resid 124 and name HA2 )) 4.14 0.92 1.18 assign (resid 109 and name HN )(resid 94 and name HE1 ) 3.95 0.88 1.13 assign (resid 94 and name HE1 )(resid 109 and name HN ) 4.08 0.91 1.16 assign (resid 94 and name HE1 )(resid 109 and name HA ) 3.39 0.75 0.97 assign (resid 109 and name HN )(resid 94 and name HZ2 ) 3.69 0.82 1.05 assign (resid 94 and name HZ2 )(resid 109 and name HN ) 4.10 0.92 1.18 assign (resid 109 and name HA )(resid 94 and name HZ2 ) 3.65 0.80 1.02 assign (resid 94 and name HZ2 )(resid 109 and name HA ) 3.19 0.71 0.92 assign (resid 94 and name HZ2 )(resid 109 and name HB# ) 3.54 0.79 1.02 assign (resid 94 and name HZ2 )(resid 109 and name HG# ) 3.54 0.79 1.02 ! T108 assign (resid 108 and name HN )(resid 108 and name HA ) 3.06 0.68 0.87 assign (resid 108 and name HN )(resid 108 and name HB ) 3.29 0.73 0.94 assign (resid 108 and name HN )(resid 108 and name HG1 ) 2.60 0.58 0.74 assign (resid 108 and name HN )((resid 108 and name HG2# ) or (resid 104 and name HB# )) 2.57 0.57 0.73 assign (resid 108 and name HG2# )(resid 108 and name HN ) 3.05 0.67 0.85 assign (resid 108 and name HN )(resid 107 and name HN ) 2.85 0.63 0.81 assign (resid 107 and name HN )(resid 108 and name HN ) 2.87 0.64 0.82 assign (resid 107 and name HN )(resid 108 and name HA ) 3.85 0.85 1.10 assign (resid 107 and name HN )((resid 108 and name HB ) or (resid 124 and name HA1 )) 4.33 0.96 1.24 assign (resid 108 and name HN )(resid 107 and name HA ) 3.61 0.80 1.03 assign (resid 107 and name HA )(resid 108 and name HN ) 3.11 0.68 0.87 assign (resid 108 and name HN )(resid 107 and name HB1 ) 3.72 0.83 1.06 assign (resid 108 and name HN )(resid 107 and name HB2 ) 4.18 0.93 1.19 assign (resid 108 and name HN )(resid 105 and name HN ) 3.83 0.85 1.09 assign (resid 105 and name HN )(resid 108 and name HN ) 5.31 1.18 1.51 assign (resid 105 and name HN )(resid 108 and name HG1 ) 5.49 1.22 1.57 assign (resid 108 and name HN )((resid 105 and name HA ) or (resid 124 and name HA2 )) 4.02 0.89 1.15 assign (resid 105 and name HA )(resid 108 and name HG1 ) 2.67 0.58 0.75 assign (resid 105 and name HD2# )(resid 108 and name HG1 ) 3.12 0.68 0.87 assign (resid 104 and name HA )(resid 108 and name HG1 ) 4.02 0.88 1.13 assign (resid 108 and name HN )(resid 94 and name HD1 ) 4.80 1.07 1.37 assign (resid 94 and name HD1 )(resid 108 and name HG1 ) 4.36 0.97 1.25 assign (resid 94 and name HD1 )(resid 108 and name HG2# ) 4.50 1.00 1.29 assign (resid 108 and name HG2# )(resid 94 and name HD1 ) 4.14 0.91 1.16 assign (resid 108 and name HN )(resid 94 and name HE1 ) 3.56 0.79 1.01 assign (resid 94 and name HE1 )(resid 108 and name HN ) 3.86 0.86 1.10 assign (resid 94 and name HE1 )(resid 108 and name HA ) 4.13 0.92 1.18 assign (resid 94 and name HE1 )(resid 108 and name HB ) 3.28 0.73 0.94 assign (resid 94 and name HE1 )(resid 108 and name HG1 ) 3.04 0.67 0.87 assign (resid 94 and name HE1 )(resid 108 and name HG2# ) 3.21 0.71 0.91 assign (resid 108 and name HG2# )(resid 94 and name HE1 ) 3.79 0.83 1.06 assign (resid 108 and name HN )(resid 94 and name HZ2 ) 3.91 0.87 1.12 assign (resid 94 and name HZ2 )(resid 108 and name HG1 ) 3.88 0.87 1.12 ! S107 assign (resid 107 and name HN )(resid 107 and name HA ) 2.75 0.61 0.78 assign (resid 107 and name HA )(resid 107 and name HN ) 2.59 0.57 0.73 assign (resid 107 and name HN )(resid 106 and name HN ) 2.98 0.66 0.85 assign (resid 106 and name HN )(resid 107 and name HN ) 3.21 0.71 0.92 assign (resid 107 and name HN )(resid 106 and name HB1 ) 3.08 0.68 0.88 assign (resid 107 and name HN )((resid 106 and name HD2# ) or (resid 102 and name HD# )) 3.70 0.82 1.06 assign (resid 107 and name HN )(resid 105 and name HA ) 5.34 1.19 1.52 assign (resid 107 and name HN )(resid 105 and name HD2# ) 4.61 1.02 1.32 assign (resid 107 and name HN )(resid 104 and name HN ) 4.39 0.98 1.25 assign (resid 107 and name HN )(resid 94 and name HE1 ) 4.56 1.01 1.30 ! L106 assign (resid 106 and name HN )(resid 106 and name HA ) 3.02 0.67 0.86 assign (resid 106 and name HA )(resid 106 and name HN ) 3.34 0.73 0.94 assign (resid 106 and name HD1# )(resid 106 and name HN ) 2.63 0.58 0.74 assign (resid 106 and name HN )((resid 106 and name HD2# ) or (resid 102 and name HD# )) 3.13 0.69 0.89 assign (resid 106 and name HD2# )(resid 106 and name HN ) 3.59 0.79 1.00 assign (resid 106 and name HA )(resid 106 and name HD1# ) 3.19 0.70 0.89 assign (resid 106 and name HA )(resid 106 and name HD2# ) 2.60 0.57 0.73 assign (resid 106 and name HN )(resid 105 and name HN ) 3.24 0.72 0.92 assign (resid 105 and name HN )(resid 106 and name HN ) 3.26 0.72 0.93 assign (resid 105 and name HN )((resid 106 and name HD2# ) or (resid 102 and name HD# )) 5.21 1.16 1.49 assign (resid 106 and name HD2# )(resid 105 and name HN ) 4.87 1.07 1.36 assign (resid 106 and name HN )(resid 105 and name HA ) 3.84 0.85 1.10 assign (resid 106 and name HN )(resid 105 and name HB1 ) 3.66 0.81 1.04 assign (resid 106 and name HN )(resid 105 and name HB2 ) 3.49 0.78 1.00 assign (resid 106 and name HN )(resid 105 and name HD1# ) 4.11 0.91 1.17 assign (resid 106 and name HN )(resid 105 and name HD2# ) 3.89 0.86 1.11 assign (resid 106 and name HN )(resid 104 and name HN ) 4.53 1.01 1.29 assign (resid 106 and name HN )((resid 103 or resid 102) and name HA ) 3.35 0.74 0.95 assign (resid 103 and name HA )((resid 106 and name HG ) or (resid 134 and name HG1# )) 2.81 0.62 0.79 assign (resid 106 and name HD1# )(resid 103 and name HA ) 2.93 0.64 0.82 assign (resid 106 and name HD2# )(resid 103 and name HA ) 3.72 0.81 1.04 assign (resid 106 and name HN )(resid 94 and name HE1 ) 4.88 1.08 1.39 ! L105 assign (resid 105 and name HN )(resid 105 and name HA ) 3.01 0.67 0.86 assign (resid 105 and name HA )(resid 105 and name HN ) 2.87 0.63 0.80 assign (resid 105 and name HN )(resid 105 and name HB1 ) 2.95 0.65 0.84 assign (resid 105 and name HN )((resid 105 and name HB2 ) or (resid 169 and name HB# )) 3.06 0.68 0.87 assign (resid 105 and name HN )(resid 105 and name HD1# ) 3.09 0.69 0.88 assign (resid 105 and name HD1# )(resid 105 and name HN ) 3.13 0.69 0.88 assign (resid 105 and name HN )(resid 105 and name HD2# ) 2.99 0.66 0.85 assign (resid 105 and name HD2# )((resid 105 or resid 99) and name HN ) 2.70 0.59 0.76 assign (resid 105 and name HA )(resid 105 and name HG ) 2.96 0.65 0.83 assign (resid 105 and name HA )(resid 105 and name HD1# ) 3.13 0.68 0.88 assign (resid 105 and name HD1# )(resid 105 and name HA ) 3.33 0.73 0.93 assign (resid 105 and name HA )(resid 105 and name HD2# ) 2.37 0.52 0.66 assign (resid 105 and name HD2# )(resid 105 and name HA ) 2.40 0.53 0.67 assign (resid 105 and name HN )(resid 104 and name HN ) 2.97 0.66 0.85 assign (resid 104 and name HN )(resid 105 and name HN ) 3.25 0.72 0.93 assign (resid 104 and name HN )(resid 105 and name HB2 ) 4.94 1.10 1.41 assign (resid 105 and name HN )(resid 104 and name HA ) 3.52 0.78 1.01 assign (resid 104 and name HN )((resid 105 and name HD1# ) or (resid 134 and name HG2# )) 6.05 1.34 1.73 assign (resid 104 and name HN )(resid 105 and name HD2# ) 4.96 1.10 1.41 assign (resid 104 and name HA )(resid 105 and name HN ) 3.71 0.81 1.04 assign (resid 105 and name HN )(resid 104 and name HB# ) 2.74 0.61 0.78 assign (resid 105 and name HN )(resid 103 and name HN ) 4.49 1.00 1.28 assign (resid 103 and name HN )(resid 105 and name HN ) 4.75 1.05 1.35 assign (resid 105 and name HN )((resid 103 or resid 102) and name HA ) 3.20 0.71 0.91 assign (resid 102 and name HN )(resid 105 and name HD1# ) 3.61 0.80 1.03 assign (resid 102 and name HA )(resid 105 and name HD1# ) 2.34 0.51 0.65 assign (resid 105 and name HD1# )(resid 102 and name HA ) 2.36 0.52 0.66 assign (resid 105 and name HD1# )(resid 102 and name HD# ) 3.13 0.69 0.88 assign (resid 102 and name HD# )(resid 105 and name HD1# ) 4.27 0.93 1.19 assign (resid 101 and name HN )(resid 105 and name HD1# ) 3.00 0.67 0.85 assign (resid 101 and name HN )(resid 105 and name HD2# ) 3.31 0.74 0.95 assign (resid 100 and name HN )(resid 105 and name HD1# ) 2.84 0.63 0.81 assign (resid 99 and name HN )(resid 105 and name HD2# ) 3.56 0.79 1.02 assign (resid 98 and name HN )(resid 105 and name HD2# ) 3.73 0.83 1.06 assign (resid 95 and name HN )(resid 105 and name HD2# ) 4.00 0.89 1.14 assign (resid 95 and name HA )(resid 105 and name HD2# ) 2.57 0.56 0.72 assign (resid 105 and name HD2# )(resid 95 and name HA ) 2.80 0.61 0.78 assign (resid 95 and name HG2# )(resid 105 and name HD2# ) 3.79 0.83 1.06 assign (resid 95 and name HD# )(resid 105 and name HD2# ) 4.15 0.91 1.16 assign (resid 94 and name HD1 )(resid 105 and name HD2# ) 5.42 1.21 1.56 assign (resid 105 and name HN )(resid 94 and name HE1 ) 4.56 1.01 1.30 assign (resid 94 and name HE1 )(resid 105 and name HN ) 5.04 1.12 1.44 assign (resid 94 and name HE1 )(resid 105 and name HA ) 3.00 0.67 0.86 assign (resid 94 and name HE1 )(resid 105 and name HB1 ) 5.20 1.16 1.48 assign (resid 94 and name HE1 )(resid 105 and name HB2 ) 4.40 0.98 1.26 assign (resid 94 and name HE1 )(resid 105 and name HD2# ) 3.80 0.84 1.08 assign (resid 105 and name HN )(resid 94 and name HZ2 ) 4.26 0.94 1.21 assign (resid 94 and name HZ2 )(resid 105 and name HN ) 3.80 0.85 1.09 assign (resid 94 and name HZ2 )(resid 105 and name HA ) 3.19 0.71 0.92 assign (resid 94 and name HZ2 )(resid 105 and name HB2 ) 3.85 0.86 1.11 assign (resid 94 and name HZ2 )(resid 105 and name HD2# ) 3.34 0.75 0.96 assign (resid 105 and name HN )(resid 94 and (name HH2 or name HZ3 )) 4.83 1.07 1.38 assign (resid 94 and name HH2 )(resid 105 and name HD2# ) 3.79 0.85 1.09 assign (resid 94 and name HZ3 )(resid 105 and name HD2# ) 3.64 0.81 1.05 ! A104 assign (resid 104 and name HN )(resid 104 and name HA ) 3.09 0.69 0.88 assign (resid 104 and name HA )(resid 104 and name HN ) 2.95 0.65 0.83 assign (resid 104 and name HN )((resid 104 and name HB# ) or (resid 103 and name HG2 )) 2.55 0.57 0.73 assign (resid 104 and name HN )(resid 103 and name HN ) 3.09 0.68 0.88 assign (resid 103 and name HN )(resid 104 and name HN ) 2.82 0.63 0.80 assign (resid 104 and name HN )(resid 103 and name HA ) 3.85 0.86 1.10 assign (resid 104 and name HN )(resid 103 and name HB1 ) 3.95 0.88 1.13 assign (resid 104 and name HN )(resid 103 and name HB2 ) 4.22 0.94 1.20 assign (resid 104 and name HN )(resid 103 and name HD1 ) 5.68 1.26 1.62 assign (resid 104 and name HN )((resid 103 and name HD2 ) or (resid 101 and name HB1 )) 4.22 0.94 1.20 assign (resid 104 and name HN )(resid 102 and name HG2# ) 4.83 1.07 1.38 assign (resid 102 and name HN )(resid 104 and name HN ) 4.62 1.03 1.32 assign (resid 102 and name HN )((resid 104 and name HB# ) or (resid 103 and name HG2 )) 3.36 0.75 0.96 assign (resid 104 and name HN )(resid 101 and name HN ) 4.90 1.09 1.40 assign (resid 104 and name HN )(resid 101 and name HB2 ) 5.48 1.22 1.56 assign (resid 104 and name HN )(resid 101 and name HD21 ) 4.36 0.97 1.24 assign (resid 104 and name HN )(resid 101 and name HB2 ) 4.19 0.92 1.17 assign (resid 101 and name HD21 )(resid 104 and name HN ) 4.21 0.94 1.20 assign (resid 101 and name HD21 )(resid 104 and name HA ) 4.85 1.08 1.38 assign (resid 101 and name HD21 )((resid 104 and name HB# ) or (resid 103 and name HG2 )) 3.32 0.74 0.95 assign (resid 104 and name HN )(resid 101 and name HD22 ) 4.63 1.03 1.32 assign (resid 101 and name HD22 )(resid 104 and name HN ) 4.95 1.10 1.41 assign (resid 101 and name HD22 )(resid 104 and name HA ) 5.63 1.25 1.61 assign (resid 104 and name HB# )(resid 101 and name HD22 ) 4.05 0.89 1.14 assign (resid 101 and name HD22 )((resid 104 and name HB# ) or (resid 103 and name HG2 )) 3.61 0.80 1.03 assign (resid 101 and name HN )((resid 104 and name HB# ) or (resid 103 and name HG2 )) 3.53 0.78 1.01 ! R103 assign (resid 103 and name HN )((resid 103 or resid 102) and name HA ) 2.87 0.64 0.82 assign (resid 103 and name HA )(resid 103 and name HN ) 2.55 0.56 0.71 assign (resid 103 and name HN )(resid 103 and name HB1 ) 2.98 0.66 0.85 assign (resid 103 and name HN )(resid 103 and name HB2 ) 3.10 0.69 0.89 assign (resid 103 and name HN )(resid 103 and name HG1 ) 3.01 0.67 0.86 assign (resid 103 and name HN )((resid 103 and name HG2 ) or (resid 104 and name HB# )) 3.12 0.69 0.89 assign (resid 103 and name HN )(resid 103 and name HD1 ) 3.96 0.88 1.13 assign (resid 103 and name HN )(resid 103 and name HD2 ) 3.89 0.86 1.11 assign (resid 103 and name HE )(resid 103 and name HB2 ) 4.23 0.94 1.21 assign (resid 103 and name HN )(resid 102 and name HN ) 3.69 0.82 1.05 assign (resid 102 and name HN )(resid 103 and name HN ) 3.16 0.70 0.90 assign (resid 103 and name HN )(resid 102 and name HB ) 4.17 0.92 1.19 assign (resid 103 and name HN )(resid 102 and name HG2# ) 2.74 0.61 0.78 assign (resid 103 and name HN )((resid 102 and name HD# ) or (resid 106 and name HD2# )) 5.57 1.24 1.59 assign (resid 103 and name HN )(resid 101 and name HD22 ) 5.47 1.21 1.56 ! I102 assign (resid 102 and name HN )(resid 102 and name HA ) 2.59 0.57 0.74 assign (resid 102 and name HA )(resid 102 and name HN ) 2.64 0.58 0.74 assign (resid 102 and name HN )(resid 102 and name HB ) 2.46 0.55 0.70 assign (resid 102 and name HN )((resid 102 and name HG12 ) or (resid 169 and name HB# )) 2.67 0.59 0.76 assign (resid 102 and name HN )(resid 102 and name HG2# ) 2.37 0.50 0.65 assign (resid 102 and name HG2# )(resid 102 and name HN ) 2.42 0.51 0.65 assign (resid 102 and name HA )(resid 102 and name HG2# ) 2.38 0.52 0.67 assign (resid 102 and name HG2# )(resid 102 and name HA ) 2.68 0.59 0.75 assign (resid 102 and name HG2# )(resid 102 and name HB ) 2.43 0.53 0.68 assign (resid 102 and name HG2# )(resid 102 and name HD# ) 2.65 0.58 0.74 assign (resid 102 and name HD# )(resid 102 and name HG2# ) 2.75 0.60 0.77 assign (resid 102 and name HN )(resid 102 and name HD# ) 3.36 0.75 0.96 assign (resid 102 and name HD# )(resid 102 and name HN ) 4.24 0.93 1.19 assign (resid 102 and name HA )(resid 102 and name HD# ) 2.02 0.44 0.57 assign (resid 102 and name HD# )(resid 102 and name HA ) 2.60 0.57 0.73 assign (resid 102 and name HD# )(resid 102 and name HB ) 3.00 0.66 0.86 assign (resid 102 and name HN )(resid 101 and name HN ) 3.41 0.76 0.77 assign (resid 101 and name HA )(resid 102 and name HN ) 2.46 0.54 0.69 assign (resid 102 and name HN )(resid 101 and name HB2 ) 3.39 0.75 0.97 assign (resid 101 and name HN )(resid 102 and name HA ) 3.07 0.68 0.88 assign (resid 102 and name HN )(resid 99 and name HA ) 4.70 1.04 1.34 ! N101 assign (resid 101 and name HA )(resid 101 and name HN ) 3.28 0.72 0.92 assign (resid 101 and name HN )(resid 101 and name HB1 ) 2.32 0.52 0.66 assign (resid 101 and name HN )(resid 101 and name HB2 ) 2.39 0.53 0.68 assign (resid 101 and name HD21 )(resid 101 and name HN ) 4.00 0.89 1.14 assign (resid 101 and name HD21 )(resid 101 and name HB1 ) 3.21 0.71 0.92 assign (resid 101 and name HD21 )(resid 101 and name HB2 ) 2.96 0.66 0.84 assign (resid 101 and name HN )(resid 101 and name HD22 ) 4.84 1.07 1.38 assign (resid 101 and name HD22 )(resid 101 and name HN ) 4.68 1.04 1.34 assign (resid 101 and name HD22 )(resid 101 and name HB1 ) 3.74 0.83 1.07 assign (resid 101 and name HD22 )(resid 101 and name HB2 ) 3.55 0.79 1.01 assign (resid 101 and name HN )(resid 100 and name HN ) 3.09 0.69 0.88 assign (resid 100 and name HN )(resid 101 and name HN ) 2.71 0.60 0.77 assign (resid 101 and name HN )(resid 100 and name HA ) 3.31 0.73 0.94 assign (resid 100 and name HA )(resid 101 and name HN ) 2.30 0.50 0.64 assign (resid 101 and name HN )(resid 100 and name HB2 ) 2.98 0.66 0.85 assign (resid 101 and name HN )(resid 99 and name HA ) 3.21 0.71 0.91 assign (resid 98 and name HN )(resid 101 and name HN ) 4.52 1.00 1.29 assign (resid 101 and name HD21 )(resid 98 and name HA ) 4.89 1.09 1.40 assign (resid 101 and name HD22 )(resid 98 and name HA ) 6.29 1.40 1.80 ! R100 assign (resid 100 and name HN )(resid 100 and name HA ) 2.26 0.50 0.64 assign (resid 100 and name HA )(resid 100 and name HN ) 2.07 0.45 0.83 assign (resid 100 and name HN )(resid 100 and name HB1 ) 3.00 0.67 0.85 assign (resid 100 and name HN )(resid 100 and name HB2 ) 3.05 0.68 0.87 assign (resid 100 and name HN )(resid 100 and name HG# ) 3.43 0.77 0.97 assign (resid 100 and name HE )(resid 100 and name HA ) 4.85 1.08 1.38 assign (resid 100 and name HE )(resid 100 and name HB1 ) 4.52 1.00 1.29 assign (resid 100 and name HE )(resid 100 and name HB2 ) 3.64 0.81 1.04 assign (resid 100 and name HE )(resid 100 and name HG# ) 4.60 1.02 1.31 assign (resid 100 and name HN )(resid 99 and name HA ) 2.46 0.55 0.70 assign (resid 99 and name HA )(resid 100 and name HN ) 2.30 0.50 0.64 assign (resid 100 and name HN )(resid 99 and name HB# ) 3.23 0.72 0.91 assign (resid 100 and name HN )(resid 99 and name HG# ) 2.77 0.61 0.79 ! E99 assign (resid 99 and name HA )(resid 99 and name HN ) 2.34 0.51 0.65 assign (resid 99 and name HN )(resid 99 and name HG# ) 3.05 0.68 0.87 assign (resid 98 and name HN )(resid 99 and name HN ) 2.96 0.66 0.84 assign (resid 99 and name HN )(resid 98 and name HA ) 2.85 0.63 0.81 assign (resid 98 and name HN )(resid 99 and name HA ) 3.96 0.88 1.13 ! K98 assign (resid 98 and name HN )(resid 98 and name HA ) 2.91 0.65 0.83 assign (resid 98 and name HN )(resid 98 and name HB# ) 3.71 0.82 1.06 assign (resid 98 and name HN )(resid 98 and name HD# ) 4.55 1.01 1.30 assign (resid 98 and name HN )((resid 98 and name HE2 ) or (resid 95 and name HA )) 4.50 1.00 1.28 assign (resid 97 and name HN )(resid 98 and name HN ) 3.01 0.67 0.86 assign (resid 97 and name HN )(resid 98 and name HA ) 3.86 0.86 1.10 assign (resid 98 and name HN )(resid 97 and name HA1 ) 3.49 0.77 0.99 assign (resid 97 and name HA1 )(resid 98 and name HN ) 3.12 0.69 0.89 assign (resid 98 and name HN )(resid 97 and name HA2 ) 3.26 0.72 0.93 assign (resid 97 and name HA2 )(resid 98 and name HN ) 2.37 0.52 0.66 assign (resid 98 and name HN )(resid 96 and name HA ) 3.30 0.73 0.94 assign (resid 96 and name HA )(resid 98 and name HN ) 3.56 0.79 1.02 assign (resid 94 and name HE1 )(resid 98 and name HE1 ) 3.99 0.89 1.14 assign (resid 94 and name HE1 )(resid 98 and name HE2 ) 4.21 0.94 1.20 ! G97 assign (resid 97 and name HN )(resid 97 and name HA1 ) 2.50 0.55 0.71 assign (resid 97 and name HA1 )(resid 97 and name HN ) 2.40 0.53 0.67 assign (resid 97 and name HN )(resid 97 and name HA2 ) 2.49 0.55 0.71 assign (resid 97 and name HA2 )(resid 97 and name HN ) 2.36 0.52 0.66 assign (resid 97 and name HN )(resid 96 and name HN ) 3.59 0.80 1.02 assign (resid 96 and name HN )(resid 97 and name HN ) 3.46 0.77 0.99 assign (resid 96 and name HN )(resid 97 and name HA2 ) 3.78 0.84 1.08 assign (resid 97 and name HN )(resid 96 and name HA ) 2.39 0.53 0.68 assign (resid 96 and name HA )(resid 97 and name HN ) 2.46 0.54 0.69 assign (resid 97 and name HN )(resid 96 and name HB1 ) 3.22 0.72 0.92 assign (resid 97 and name HN )(resid 96 and name HB2 ) 3.28 0.73 0.94 assign (resid 97 and name HN )(resid 96 and name HG1 ) 3.50 0.78 1.00 assign (resid 97 and name HN )(resid 96 and name HG2 ) 3.35 0.74 0.95 assign (resid 97 and name HN )((resid 95 or resid 99) and name HN ) 4.09 0.91 1.17 assign (resid 97 and name HN )(resid 95 and name HA ) 4.78 1.06 1.36 assign (resid 97 and name HN )(resid 94 and name HA ) 4.03 0.89 1.15 ! E96 assign (resid 96 and name HN )(resid 96 and name HA ) 2.81 0.62 0.80 assign (resid 96 and name HA )(resid 96 and name HN ) 2.78 0.61 0.78 assign (resid 96 and name HN )(resid 96 and name HB# ) 2.51 0.56 0.72 assign (resid 96 and name HN )(resid 96 and name HG1 ) 3.11 0.69 0.89 assign (resid 96 and name HN )(resid 96 and name HG2 ) 3.14 0.70 0.90 assign (resid 96 and name HN )(resid 95 and name HN ) 3.24 0.72 0.93 assign (resid 95 and name HN )(resid 96 and name HN ) 3.20 0.71 0.91 assign (resid 96 and name HN )(resid 95 and name HA ) 3.72 0.83 1.06 assign (resid 95 and name HA )(resid 96 and name HN ) 3.17 0.69 0.89 assign (resid 96 and name HN )(resid 95 and name HB ) 2.92 0.65 0.83 assign (resid 96 and name HN )(resid 95 and name HG2# ) 3.45 0.77 0.99 assign (resid 96 and name HN )((resid 95 and name HD# ) or (resid 92 and name HD* )) 3.24 0.72 0.92 assign (resid 95 and name HG2# )(resid 96 and name HN ) 4.02 0.88 1.12 assign (resid 95 and name HG2# )(resid 96 and name HA ) 3.82 0.84 1.07 assign (resid 96 and name HN )(resid 94 and name HN ) 4.41 0.98 1.26 assign (resid 94 and name HN )(resid 96 and name HN ) 4.48 0.99 1.28 assign (resid 96 and name HN )(resid 94 and name HA ) 4.16 0.92 1.19 assign (resid 96 and name HN )(resid 94 and name HB1 ) 4.36 0.96 1.25 assign (resid 96 and name HN )(resid 94 and name HB2 ) 4.59 1.01 1.31 assign (resid 96 and name HN )(resid 93 and name HA ) 3.21 0.71 0.91 ! I95 assign (resid 95 and name HN )(resid 95 and name HA ) 3.01 0.67 0.86 assign (resid 95 and name HA )(resid 95 and name HN ) 3.08 0.68 0.86 assign (resid 95 and name HN )(resid 95 and name HB ) 2.69 0.60 0.77 assign (resid 95 and name HA )(resid 95 and name HG12 ) 3.15 0.69 0.88 assign (resid 95 and name HN )(resid 95 and name HG2# ) 3.01 0.67 0.86 assign (resid 95 and name HG2# )(resid 95 and name HN ) 3.39 0.74 0.95 assign (resid 95 and name HA )(resid 95 and name HG2# ) 2.49 0.55 0.70 assign (resid 95 and name HG2# )(resid 95 and name HG11 ) 2.92 0.64 0.82 assign (resid 95 and name HG2# )(resid 95 and name HG12 ) 2.92 0.64 0.82 assign (resid 95 and name HN )((resid 95 and name HD# ) or (resid 92 and name HD* )) 2.74 0.61 0.78 assign (resid 95 and name HD# )(resid 95 and name HN ) 3.73 0.82 1.04 assign (resid 95 and name HA )(resid 95 and name HD# ) 3.08 0.68 0.87 assign (resid 95 and name HD# )(resid 95 and name HA ) 3.67 0.80 1.03 assign (resid 95 and name HD# )(resid 95 and name HB ) 3.17 0.69 0.89 assign (resid 95 and name HN )(resid 94 and name HN ) 3.02 0.67 0.86 assign (resid 94 and name HN )(resid 95 and name HN ) 2.90 0.64 0.83 assign (resid 94 and name HN )(resid 95 and name HG2# ) 4.13 0.91 1.17 assign (resid 94 and name HN )((resid 95 and name HD# ) or (resid 92 and name HD* )) 4.34 0.96 1.24 assign (resid 95 and name HN )(resid 94 and name HA ) 3.02 0.67 0.86 assign (resid 94 and name HA )(resid 95 and name HN ) 4.28 0.94 1.20 assign (resid 94 and name HA )(resid 95 and name HA ) 3.67 0.80 1.03 assign (resid 95 and name HN )(resid 94 and name HB1 ) 2.93 0.65 0.84 assign (resid 95 and name HN )(resid 94 and name HB2 ) 2.96 0.66 0.85 assign (resid 95 and name HN )(resid 94 and name HD1 ) 4.45 0.99 1.27 assign (resid 95 and name HG2# )(resid 94 and name HA ) 4.28 0.94 1.20 assign (resid 95 and name HG2# )(resid 94 and name HB1 ) 3.89 0.85 1.09 assign (resid 95 and name HD# )(resid 94 and name HB1 ) 3.65 0.80 1.02 assign (resid 94 and name HZ3 )(resid 95 and name HG12 ) 3.89 0.87 1.12 assign (resid 95 and name HD# )(resid 94 and name HZ3 ) 4.21 0.92 1.18 assign (resid 94 and name HZ3 )(resid 95 and name HD# ) 3.38 0.75 0.97 assign (resid 95 and name HN )(resid 94 and name HE3 ) 3.22 0.72 0.92 assign (resid 94 and name HE3 )(resid 95 and name HN ) 3.48 0.78 1.00 assign (resid 94 and name HE3 )(resid 95 and name HG12 ) 2.98 0.66 0.86 assign (resid 95 and name HG2# )(resid 94 and name HE3 ) 4.00 0.88 1.12 assign (resid 94 and name HE3 )(resid 95 and name HG2# ) 3.09 0.69 0.89 assign (resid 95 and name HD# )(resid 94 and name HE3 ) 4.07 0.89 1.14 assign (resid 94 and name HE3 )(resid 95 and name HD# ) 3.03 0.68 0.87 assign (resid 95 and name HN )(resid 93 and name HA ) 3.81 0.85 1.09 assign (resid 95 and name HN )(resid 92 and name HA ) 3.46 0.77 0.99 assign (resid 95 and name HN )(resid 91 and name HA ) 3.55 0.79 1.01 assign (resid 95 and name HN )(resid 91 and name HG2# ) 3.83 0.85 1.09 assign (resid 95 and name HG2# )(resid 91 and name HG2# ) 4.07 0.89 1.14 assign (resid 91 and name HG2# )(resid 95 and name HG2# ) 3.07 0.67 0.86 assign (resid 95 and name HD# )(resid 91 and name HG2# ) 3.16 0.69 0.88 assign (resid 91 and name HG2# )(resid 95 and name HD# ) 2.16 0.47 0.61 ! W94 assign (resid 94 and name HN )(resid 94 and name HA ) 2.43 0.54 0.69 assign (resid 94 and name HA )(resid 94 and name HN ) 2.68 0.59 0.75 assign (resid 94 and name HN )(resid 94 and name HB1 ) 2.41 0.53 0.69 assign (resid 94 and name HN )(resid 94 and name HB2 ) 2.38 0.53 0.68 assign (resid 94 and name HN )(resid 94 and name HD1 ) 3.80 0.84 1.09 assign (resid 94 and name HA )(resid 94 and name HD1 ) 3.20 0.70 0.90 assign (resid 94 and name HD1 )(resid 94 and name HA ) 3.48 0.78 1.00 assign (resid 94 and name HD1 )(resid 94 and name HB1 ) 4.50 1.00 1.29 assign (resid 94 and name HA )(resid 94 and name HE1 ) 4.28 0.95 1.22 assign (resid 94 and name HN )(resid 94 and name HE3 ) 3.32 0.74 1.02 assign (resid 94 and name HE3 )(resid 94 and name HA ) 3.95 0.88 1.14 assign (resid 94 and name HE3 )(resid 94 and name HB1 ) 2.68 0.60 0.77 assign (resid 94 and name HE3 )(resid 94 and name HB2 ) 3.34 0.75 0.96 assign (resid 94 and name HN )(resid 93 and name HN ) 2.49 0.55 0.71 assign (resid 93 and name HN )(resid 94 and name HN ) 2.53 0.56 0.72 assign (resid 93 and name HN )(resid 94 and name HB2 ) 3.72 0.82 1.06 assign (resid 94 and name HN )(resid 93 and name HA ) 2.76 0.61 0.79 assign (resid 94 and name HN )(resid 93 and name HB1 ) 2.86 0.63 0.82 assign (resid 94 and name HN )(resid 93 and name HB2 ) 2.81 0.62 0.80 assign (resid 94 and name HN )(resid 93 and name HG1 ) 3.89 0.86 1.11 assign (resid 94 and name HN )(resid 93 and name HG2 ) 3.72 0.83 1.06 assign (resid 94 and name HN )(resid 92 and name HA ) 4.36 0.97 1.24 assign (resid 92 and name HN )(resid 94 and name HN ) 4.46 0.99 1.27 assign (resid 94 and name HN )(resid 91 and name HN ) 4.61 1.02 1.31 assign (resid 94 and name HN )(resid 91 and name HA ) 3.15 0.69 0.89 assign (resid 91 and name HN )(resid 94 and name HB1 ) 5.20 1.16 1.48 assign (resid 91 and name HA )(resid 94 and name HN ) 3.45 0.76 0.97 assign (resid 94 and name HN )(resid 91 and name HG2# ) 4.22 0.94 1.20 assign (resid 94 and name HZ3 )(resid 91 and name HG2# ) 3.69 0.82 1.06 assign (resid 91 and name HG2# )(resid 94 and name HZ3 ) 3.25 0.71 0.91 assign (resid 94 and name HZ3 )(resid 91 and name HD# ) 3.68 0.82 1.06 assign (resid 94 and name HE3 )(resid 91 and name HA ) 2.60 0.58 0.75 assign (resid 94 and name HE3 )(resid 91 and name HG2# ) 2.88 0.64 0.83 assign (resid 91 and name HG2# )(resid 94 and name HE3 ) 2.76 0.61 0.77 ! E93 assign (resid 93 and name HN )(resid 93 and name HG1 ) 2.45 0.54 0.70 assign (resid 93 and name HN )(resid 92 and name HB2 ) 3.02 0.67 0.86 assign (resid 93 and name HN )((resid 92 or resid 89) and name HD* ) 2.75 0.61 0.78 assign (resid 93 and name HN )(resid 91 and name HN ) 3.76 0.83 1.07 assign (resid 93 and name HN )(resid 91 and name HA ) 3.56 0.79 1.02 ! L92 assign (resid 92 and name HN )(resid 92 and name HA ) 2.93 0.65 0.83 assign (resid 92 and name HN )(resid 92 and name HB1 ) 2.72 0.60 0.78 assign (resid 92 and name HN )(resid 92 and name HB2 ) 3.02 0.67 0.86 assign (resid 92 and name HN )(resid 92 and name HG ) 2.47 0.55 0.71 assign (resid 92 and name HN )(resid 92 and name HD* ) 2.48 0.55 0.71 assign (resid 92 and name HD1# )(resid 92 and name HN ) 2.73 0.59 0.77 assign (resid 92 and name HD1# )(resid 92 and name HA ) 2.47 0.54 0.69 assign (resid 92 and name HD1# )(resid 92 and name HB1 ) 2.19 0.48 0.61 assign (resid 92 and name HD1# )(resid 92 and name HB2 ) 2.63 0.58 0.74 assign (resid 92 and name HD2# )(resid 92 and name HN ) 3.03 0.66 0.84 assign (resid 92 and name HN )(resid 91 and name HN ) 2.90 0.64 0.83 assign (resid 91 and name HN )(resid 92 and name HN ) 2.89 0.64 0.83 assign (resid 91 and name HN )(((resid 92 or resid 89) and name HD* ) or (resid 95 and name HD# )) 2.93 0.65 0.84 assign (resid 92 and name HN )(resid 91 and name HA ) 3.67 0.81 1.05 assign (resid 92 and name HN )((resid 91 and name HB ) or (resid 84 and name HE# )) 2.81 0.62 0.80 assign (resid 92 and name HN )(resid 91 and name HG2# ) 3.39 0.75 0.97 assign (resid 91 and name HG2# )(resid 92 and name HN ) 3.54 0.77 0.99 assign (resid 92 and name HN )(resid 91 and name HD# ) 4.15 0.92 1.18 assign (resid 90 and name HN )(resid 92 and name HN ) 4.42 0.98 1.26 assign (resid 92 and name HN )(resid 89 and name HA ) 2.93 0.65 0.83 assign (resid 92 and name HN )(resid 88 and name HA ) 3.77 0.84 1.08 assign (resid 92 and name HN )(resid 84 and name HE# ) 5.06 1.11 1.42 ! I91 assign (resid 91 and name HN )(resid 91 and name HA ) 3.06 0.68 0.87 assign (resid 91 and name HA )(resid 91 and name HN ) 3.14 0.69 0.88 assign (resid 91 and name HA )(resid 91 and name HG11 ) 3.34 0.73 0.94 assign (resid 91 and name HA )(resid 91 and name HG12 ) 3.08 0.68 0.86 assign (resid 91 and name HG2# )(resid 91 and name HA ) 2.53 0.55 0.71 assign (resid 91 and name HN )(resid 91 and name HB ) 2.63 0.58 0.75 assign (resid 91 and name HN )(resid 91 and name HG11 ) 2.61 0.58 0.74 assign (resid 91 and name HN )(resid 91 and name HG2# ) 2.88 0.64 0.82 assign (resid 91 and name HG2# )(resid 91 and name HN ) 2.84 0.62 0.80 assign (resid 91 and name HN )(resid 91 and name HD# ) 3.06 0.68 0.87 assign (resid 91 and name HD# )(resid 91 and name HN ) 2.98 0.65 0.83 assign (resid 91 and name HD# )(resid 91 and name HB ) 2.80 0.61 0.79 assign (resid 91 and name HN )(resid 90 and name HA ) 2.97 0.66 0.85 assign (resid 91 and name HN )(resid 90 and name HB2 ) 3.01 0.67 0.86 assign (resid 91 and name HN )(resid 90 and name HD2 ) 4.24 0.94 1.21 assign (resid 91 and name HN )(resid 89 and name HN ) 4.44 0.99 1.27 assign (resid 91 and name HN )(resid 88 and name HA ) 3.39 0.75 0.97 assign (resid 88 and name HN )(resid 91 and name HD# ) 4.74 1.05 1.35 assign (resid 88 and name HA )(resid 91 and name HD# ) 3.31 0.73 0.93 assign (resid 91 and name HD# )(resid 88 and name HA ) 2.80 0.61 0.78 ! K90 assign (resid 90 and name HN )(resid 90 and name HA ) 2.62 0.58 0.75 assign (resid 90 and name HN )(resid 90 and name HB1 ) 2.59 0.58 0.74 assign (resid 90 and name HN )(resid 90 and name HB2 ) 2.90 0.64 0.83 assign (resid 90 and name HN )(resid 90 and name HG# ) 3.72 0.83 1.06 assign (resid 90 and name HN )(resid 89 and name HN ) 3.23 0.72 0.92 assign (resid 89 and name HN )(resid 90 and name HN ) 2.95 0.66 0.84 assign (resid 89 and name HA )(resid 90 and name HN ) 3.16 0.69 0.88 assign (resid 90 and name HN )((resid 89 or resid 92) and name HD* ) 3.48 0.77 0.99 assign (resid 89 and name HD1# )(resid 90 and name HN ) 3.54 0.78 0.99 assign (resid 90 and name HN )(resid 88 and name HN ) 4.22 0.94 1.20 assign (resid 88 and name HN )(resid 90 and name HN ) 3.79 0.84 1.08 assign (resid 90 and name HN )(resid 88 and name HA ) 4.51 1.00 1.29 assign (resid 87 and name HA )(resid 90 and name HN ) 4.42 0.98 1.26 assign (resid 90 and name HN )(resid 87 and name HA ) 3.27 0.73 0.93 assign (resid 90 and name HN )(resid 86 and name HA ) 3.84 0.85 1.09 assign (resid 86 and name HA )(resid 90 and name HN ) 3.89 0.85 1.09 ! L89 assign (resid 89 and name HN )(resid 89 and name HA ) 2.86 0.64 0.82 assign (resid 89 and name HN )(resid 89 and name HB2 ) 2.48 0.55 0.71 assign (resid 89 and name HN )((resid 89 or resid 92) and name HD* ) 3.02 0.67 0.86 assign (resid 89 and name HA )(resid 89 and name HD* ) 1.95 0.43 0.54 assign (resid 89 and name HN )(resid 88 and name HN ) 2.95 0.66 0.84 assign (resid 88 and name HN )(resid 89 and name HN ) 2.77 0.62 0.79 assign (resid 89 and name HN )(resid 88 and name HA ) 3.59 0.80 1.02 assign (resid 88 and name HN )(resid 89 and name HA ) 3.75 0.83 1.07 assign (resid 88 and name HN )((resid 89 or resid 92) and name HD* ) 4.42 0.98 1.26 assign (resid 89 and name HN )(resid 88 and name HB2 ) 3.18 0.71 0.91 assign (resid 87 and name HN )(resid 89 and name HN ) 3.67 0.81 1.05 assign (resid 89 and name HN )(resid 86 and name HA ) 3.35 0.74 0.96 assign (resid 86 and name HA )(resid 89 and name HN ) 3.40 0.74 0.95 assign (resid 86 and name HA )((resid 89 or resid 92) and name HB# ) 2.56 0.56 0.72 assign (resid 86 and name HA )(resid 89 and name HD* ) 3.14 0.69 0.88 assign (resid 89 and name HD* )(resid 86 and name HA ) 2.89 0.63 0.81 assign (resid 89 and name HN )(resid 85 and name HN ) 4.98 1.11 1.42 assign (resid 89 and name HN )(resid 85 and name HA ) 5.66 1.26 1.62 assign (resid 89 and name HN )(resid 85 and name HB1 ) 5.02 1.12 1.43 assign (resid 85 and name HN )((resid 89 or resid 92) and name HD* ) 4.75 1.05 1.36 assign (resid 84 and name HN )((resid 89 or resid 92) and name HD* ) 4.49 1.00 1.28 assign ((resid 84 or resid 80) and name HE# )(resid 89 and name HN ) 4.93 1.08 1.38 assign ((resid 84 or resid 80) and name HE# )(resid 89 and name HA ) 3.34 0.73 0.94 assign (resid 84 and name HA )((resid 89 or resid 92) and name HD* ) 3.53 0.77 0.99 assign (resid 89 and name HD* )(resid 84 and name HG1 ) 3.60 0.79 1.01 assign (resid 89 and name HD* )((resid 84 or resid 80) and name HE# ) 2.68 0.59 0.75 assign ((resid 84 or resid 80) and name HE# )((resid 89 or resid 92) and name HD* ) 2.69 0.59 0.75 assign (resid 83 and name HN )((resid 89 or resid 92) and name HD* ) 4.35 0.97 1.24 assign (resid 82 and name HN )((resid 89 or resid 92) and name HD* ) 6.11 1.36 1.74 assign (resid 81 and name HN )((resid 89 or resid 92) and name HD* ) 6.49 1.44 1.85 assign (resid 81 and name HA )((resid 89 or resid 92) and name HD* ) 4.55 1.00 1.27 ! K88 assign (resid 88 and name HN )(resid 88 and name HA ) 2.97 0.66 0.85 assign (resid 88 and name HA )(resid 88 and name HN ) 3.09 0.68 0.87 assign (resid 88 and name HN )(resid 88 and name HB1 ) 2.71 0.60 0.77 assign (resid 88 and name HN )(resid 88 and name HB2 ) 2.88 0.64 0.82 assign (resid 88 and name HN )(resid 88 and name HD# ) 3.19 0.71 0.91 assign (resid 88 and name HN )(resid 87 and name HN ) 2.61 0.58 0.75 assign (resid 88 and name HN )(resid 87 and name HA ) 3.12 0.62 0.89 assign (resid 88 and name HN )(resid 86 and name HA ) 4.02 0.89 1.15 assign (resid 86 and name HA )(resid 88 and name HN ) 4.22 0.92 1.18 assign (resid 88 and name HN )(resid 85 and name HN ) 4.57 1.01 1.30 assign (resid 88 and name HN )(resid 85 and name HA ) 4.58 1.02 1.31 assign (resid 88 and name HN )(resid 85 and name HB1 ) 3.61 0.80 1.03 assign (resid 88 and name HN )(resid 85 and name HB2 ) 3.90 0.87 1.11 assign (resid 88 and name HN )(resid 84 and name HA ) 5.63 1.25 1.61 ! E87 assign (resid 87 and name HN )((resid 87 and name HA ) or (resid 86 and name HD1 )) 2.50 0.56 0.71 assign (resid 87 and name HN )(resid 87 and (name HB1 or name HG2 )) 2.52 0.56 0.72 assign (resid 87 and name HN )(resid 87 and name HB2 ) 2.73 0.61 0.78 assign (resid 87 and name HN )(resid 86 and name HA ) 3.09 0.69 0.88 assign (resid 86 and name HA )(resid 87 and name HN ) 3.55 0.78 0.99 assign (resid 87 and name HN )(resid 86 and name HB1 ) 3.77 0.84 1.08 assign (resid 87 and name HN )(resid 86 and name HG1 ) 3.22 0.72 0.92 assign (resid 87 and name HN )(resid 85 and name HN ) 4.87 1.08 1.39 assign (resid 87 and name HN )(resid 85 and name HA ) 3.62 0.80 1.03 assign (resid 87 and name HN )(resid 85 and name HB2 ) 4.86 1.08 1.39 assign (resid 87 and name HN )(resid 84 and name HA ) 4.80 1.06 1.37 ! P86 assign (resid 85 and name HN )(resid 86 and name HD2 ) 4.52 1.00 1.29 assign (resid 85 and name HA )(resid 86 and name HD1 ) 2.06 0.45 0.58 assign (resid 85 and name HA )(resid 86 and name HD2 ) 2.05 0.45 0.57 ! D85 assign (resid 85 and name HN )(resid 85 and name HA ) 3.19 0.71 0.91 assign (resid 85 and name HA )(resid 85 and name HN ) 2.79 0.61 0.78 assign (resid 85 and name HN )(resid 85 and name HB1 ) 2.88 0.64 0.82 assign (resid 85 and name HN )(resid 85 and name HB2 ) 2.87 0.64 0.82 assign (resid 85 and name HN )(resid 84 and name HN ) 2.88 0.64 0.82 assign (resid 85 and name HN )(resid 84 and name HA ) 2.51 0.56 0.72 assign (resid 84 and name HA )(resid 85 and name HN ) 2.30 0.50 0.64 assign (resid 84 and name HA )(resid 85 and name HB1 ) 3.67 0.80 1.03 assign (resid 85 and name HN )(resid 84 and (name HB# or name HE# )) 2.91 0.65 0.83 assign (resid 85 and name HN )(resid 84 and name HG# ) 4.78 1.06 1.36 assign (resid 85 and name HN )(resid 83 and name HN ) 5.20 1.15 1.48 assign (resid 85 and name HN )((resid 83 or resid 82) and name HA ) 3.73 0.83 1.06 ! M84 assign (resid 84 and name HN )(resid 84 and name HA ) 2.53 0.56 0.72 assign (resid 84 and name HN )(resid 84 and name HG# ) 3.19 0.71 0.91 assign (resid 84 and name HE# )(resid 84 and name HN ) 4.27 0.94 1.20 assign (resid 84 and name HE# )(resid 84 and name HA ) 3.97 0.87 1.11 assign (resid 84 and name HN )(resid 83 and name HN ) 3.13 0.69 0.89 assign (resid 84 and name HN )((resid 83 or resid 81) and name HA ) 2.09 0.46 0.60 assign (resid 83 and name HA )(resid 84 and name HN ) 2.34 0.51 0.66 assign (resid 84 and name HA )(resid 83 and name HG# ) 4.12 0.91 1.18 assign (resid 84 and name HN )(resid 82 and name HN ) 4.95 1.10 1.41 assign (resid 82 and name HN )((resid 84 or resid 80) and name HN ) 4.21 0.94 1.20 assign (resid 84 and name HN )(resid 81 and name HB# ) 4.42 0.98 1.26 assign (resid 81 and name HA )(resid 84 and name HN ) 3.32 0.73 0.93 assign (resid 81 and name HA )(resid 84 and (name HB# or name HE# )) 4.41 0.97 1.26 assign (resid 81 and name HA )(resid 84 and name HG# ) 4.80 1.05 1.34 assign (resid 81 and name HB# )(resid 84 and (name HB# or name HE# )) 4.38 0.96 1.23 ! E83 assign (resid 83 and name HA )(resid 83 and name HN ) 2.28 0.59 0.64 assign (resid 83 and name HN )(resid 83 and name HB# ) 2.54 0.56 0.72 assign (resid 83 and name HN )(resid 83 and name HG# ) 3.40 0.76 0.97 assign (resid 83 and name HN )(resid 82 and name HN ) 2.79 0.62 0.80 assign (resid 82 and name HN )(resid 83 and name HN ) 3.18 0.71 0.91 assign (resid 82 and name HA )(resid 83 and name HN ) 2.63 0.58 0.74 assign (resid 83 and name HN )(resid 82 and name HB1 ) 3.44 0.76 0.98 assign (resid 83 and name HN )(resid 82 and name HB2 ) 3.55 0.79 1.01 assign (resid 83 and name HN )((resid 82 and name HG# ) or (resid 81 and name HB# )) 3.75 0.83 1.07 assign (resid 83 and name HN )(resid 82 and name HD# ) 4.72 1.05 1.35 assign (resid 83 and name HN )(resid 79 and name HA ) 4.17 0.93 1.19 ! K82 assign (resid 82 and name HN )((resid 82 or resid 81) and name HA ) 2.52 0.56 0.72 assign (resid 82 and name HA )(resid 82 and name HN ) 2.98 0.65 0.83 assign (resid 82 and name HN )(resid 82 and name HB1 ) 3.23 0.72 0.92 assign (resid 82 and name HN )(resid 82 and name HB2 ) 3.02 0.67 0.86 assign (resid 82 and name HN )((resid 82 and name HG# ) or (resid 81 and name HB# )) 2.87 0.64 0.82 assign (resid 82 and name HN )(resid 82 and name HD# ) 4.06 0.90 1.16 assign (resid 82 and name HN )(resid 81 and name HN ) 3.18 0.71 0.91 assign (resid 81 and name HA )(resid 82 and name HN ) 3.11 0.68 0.87 assign (resid 81 and name HB# )(resid 82 and name HN ) 4.06 0.89 1.14 assign (resid 80 and name HN )(resid 82 and name HN ) 4.93 1.09 1.41 assign (resid 82 and name HN )((resid 79 or resid 78) and name HA ) 3.65 0.81 1.04 ! A81 assign (resid 81 and name HA )(resid 81 and name HN ) 3.17 0.69 0.89 assign (resid 81 and name HN )(resid 81 and name HB# ) 2.73 0.61 0.78 assign (resid 81 and name HB# )(resid 81 and name HN ) 2.96 0.65 0.83 assign (resid 81 and name HN )(resid 80 and name HN ) 3.28 0.73 0.94 assign (resid 81 and name HN )(resid 80 and name HB# ) 3.52 0.78 1.01 assign (resid 81 and name HN )(resid 80 and name HG1 ) 6.00 1.33 1.71 assign (resid 81 and name HN )(resid 80 and name HG2 ) 5.99 1.33 1.71 assign (resid 81 and name HN )((resid 79 or resid 78) and name HA ) 4.00 0.89 1.14 assign (resid 79 and name HN )(resid 81 and name HN ) 5.15 1.14 1.47 assign (resid 78 and name HA )(resid 81 and name HB# ) 2.97 0.65 0.83 ! M80 assign (resid 80 and name HN )(resid 80 and name HA ) 2.91 0.65 0.83 assign (resid 80 and name HA )(resid 80 and name HN ) 2.51 0.55 0.70 assign (resid 80 and name HN )(resid 80 and name HG1 ) 3.43 0.76 0.98 assign (resid 80 and name HN )(resid 80 and name HG2 ) 3.72 0.83 1.06 assign (resid 80 and name HA )(resid 80 and name HG1 ) 3.58 0.78 1.00 assign (resid 80 and name HA )(resid 80 and name HG2 ) 3.39 0.75 0.97 assign (resid 80 and name HN )(resid 79 and name HA ) 3.06 0.68 0.87 assign (resid 79 and name HA )((resid 79 or resid 80) and name HN ) 2.66 0.58 0.74 assign (resid 80 and name HN )(resid 77 and name HA ) 4.36 0.97 1.25 ! E79 assign (resid 79 and name HN )((resid 79 or resid 78) and name HA ) 3.16 0.70 0.90 assign (resid 78 and name HA )((resid 78 or resid 79) and name HN ) 2.30 0.50 0.64 assign (resid 79 and name HN )(resid 77 and name HN ) 5.00 1.11 1.43 assign (resid 79 and name HN )(resid 77 and name HA ) 5.61 1.25 1.60 assign (resid 79 and name HN )((resid 75 or resid 80) and name HA ) 4.69 1.04 1.34 ! E78 assign (resid 78 and name HN )((resid 78 or resid 77) and name HA ) 3.17 0.70 0.90 assign (resid 78 and name HN )(resid 78 and name HB# ) 3.05 0.68 0.87 assign (resid 78 and name HN )(resid 78 and name HG1 ) 4.03 0.89 1.15 assign (resid 78 and name HN )(resid 78 and name HG2 ) 4.22 0.94 1.20 assign (resid 78 and name HN )(resid 77 and name HN ) 3.60 0.80 1.03 assign (resid 77 and name HN )(resid 78 and name HN ) 3.54 0.78 1.01 assign (resid 77 and name HN )(resid 78 and name HB# ) 4.64 1.03 1.33 assign (resid 77 and name HA )(resid 78 and name HN ) 2.66 0.59 0.76 assign (resid 77 and name HN )(resid 78 and name HG2 ) 6.22 1.38 1.78 assign (resid 78 and name HN )(resid 77 and name HB# ) 3.47 0.77 0.99 assign (resid 78 and name HN )(resid 77 and name HG2 ) 5.44 1.21 1.55 assign (resid 78 and name HN )(resid 77 and name HD# ) 6.10 1.35 1.74 assign (resid 78 and name HN )(resid 75 and name HA ) 4.52 1.00 1.29 ! K77 assign (resid 77 and name HN )((resid 77 or resid 74) and name HA ) 3.22 0.72 0.92 assign (resid 77 and name HA )(resid 77 and name HN ) 3.21 0.71 0.92 assign (resid 77 and name HN )(resid 77 and name HG1 ) 4.34 0.96 1.24 assign (resid 77 and name HN )(resid 77 and name HG2 ) 4.68 1.04 1.34 assign (resid 77 and name HA )(resid 77 and name HG# ) 2.96 0.65 0.84 assign (resid 77 and name HA )(resid 77 and name HD# ) 3.17 0.69 0.89 assign (resid 77 and name HN )(resid 76 and name HN ) 3.68 0.82 1.05 assign (resid 76 and name HN )(resid 77 and name HN ) 3.41 0.76 0.97 assign (resid 77 and name HN )(resid 76 and name HA ) 3.51 0.78 1.00 assign (resid 77 and name HN )(resid 76 and name HD# ) 6.78 1.50 1.93 ! R76 assign (resid 76 and name HA )(resid 76 and name HN ) 3.39 0.74 0.97 assign (resid 76 and name HN )(resid 76 and name HB# ) 3.11 0.69 0.89 assign (resid 76 and name HN )(resid 76 and name HG1 ) 3.76 0.84 1.07 assign (resid 76 and name HN )(resid 76 and name HG2 ) 4.13 0.92 1.18 assign (resid 76 and name HN )(resid 76 and name HD# ) 5.01 1.11 1.43 assign (resid 76 and name HA )(resid 76 and name HG# ) 3.28 0.74 0.95 assign (resid 76 and name HA )(resid 76 and name HD# ) 4.15 0.93 1.19 assign (resid 76 and name HE )(resid 76 and name HB# ) 4.82 1.07 1.37 assign (resid 76 and name HE )(resid 76 and name HG1 ) 4.15 0.92 1.18 assign (resid 76 and name HE )(resid 76 and name HG2 ) 4.17 0.93 1.19 assign (resid 76 and name HN )(resid 75 and name HN ) 3.22 0.71 0.92 assign (resid 75 and name HN )(resid 76 and name HB# ) 4.10 0.91 1.17 assign (resid 75 and name HN )(resid 76 and name HG1 ) 4.94 1.10 1.41 assign (resid 75 and name HN )(resid 76 and name HG2 ) 5.73 1.27 1.63 assign (resid 75 and name HA )(resid 76 and name HN ) 3.00 0.66 0.84 assign (resid 74 and name HN )(resid 76 and name HN ) 4.57 1.01 1.30 assign (resid 76 and name HN )(resid 73 and name HB# ) 5.46 1.21 1.56 assign (resid 73 and name HN )(resid 76 and name HD# ) 6.99 1.55 2.00 assign (resid 73 and name HN )(resid 76 and name HE ) 7.64 1.69 2.17 assign (resid 73 and name HA )(resid 76 and name HB# ) 3.64 0.80 1.02 assign (resid 73 and name HA )(resid 76 and name HD# ) 4.76 1.04 1.33 assign (resid 76 and name HN )(resid 72 and name HA ) 5.13 1.14 1.46 assign (resid 76 and name HN )(resid 72 and (name HG2# or name HD# )) 4.90 1.09 1.40 assign (resid 76 and name HE )(resid 72 and (name HG2# or name HD# )) 4.89 1.08 1.40 assign (resid 72 and name HG2# )(resid 76 and name HD# ) 5.00 1.10 1.40 ! M75 assign (resid 75 and name HN )(resid 75 and name HB# ) 2.59 0.58 0.74 assign (resid 75 and name HN )(resid 75 and name HG1 ) 3.33 0.74 0.95 assign (resid 75 and name HN )(resid 75 and name HG2 ) 3.97 0.88 1.13 assign (resid 75 and name HA )(resid 75 and name HG1 ) 3.87 0.85 1.08 assign (resid 75 and name HA )(resid 75 and name HG2 ) 3.70 0.82 1.05 assign (resid 75 and name HN )(resid 74 and name HN ) 3.19 0.71 0.91 assign (resid 74 and name HN )(resid 75 and name HN ) 3.31 0.74 0.95 assign (resid 75 and name HN )(resid 74 and name HA ) 3.35 0.74 0.96 assign (resid 74 and name HA )(resid 75 and name HN ) 3.01 0.66 0.84 assign (resid 75 and name HN )(resid 74 and name HG# ) 4.32 0.96 1.23 assign (resid 75 and name HN )(resid 72 and name HA ) 3.84 0.85 1.09 assign (resid 72 and name HA )(resid 75 and name HB# ) 3.10 0.68 0.94 assign (resid 72 and name HG2# )(resid 75 and (name HB# or name HE# )) 4.26 0.93 1.19 assign (resid 72 and name HD# )(resid 75 and (name HB# or name HE# )) 4.62 1.01 1.29 assign (resid 75 and name HN )(resid 71 and (name HA or name HB )) 5.27 1.17 1.50 assign (resid 75 and name HN )(resid 71 and name HG2# ) 6.25 1.39 1.78 assign (resid 71 and name HN )(resid 75 and name HG1 ) 7.25 1.61 2.07 ! E74 assign (resid 74 and name HA )(resid 74 and name HN ) 3.26 0.71 0.91 assign (resid 74 and name HN )(resid 74 and name HB1 ) 2.91 0.65 0.83 assign (resid 74 and name HN )(resid 74 and name HB2 ) 3.26 0.72 0.93 assign (resid 74 and name HN )(resid 74 and name HG# ) 3.27 0.73 0.93 assign (resid 73 and name HN )(resid 74 and name HN ) 3.46 0.77 0.99 assign (resid 73 and name HA )(resid 74 and name HN ) 3.40 0.75 0.95 assign (resid 74 and name HN )(resid 73 and name HB# ) 3.10 0.69 0.89 assign (resid 73 and name HB# )(resid 74 and name HN ) 3.96 0.87 1.11 assign (resid 73 and name HB# )(resid 74 and name HG# ) 5.52 1.21 1.55 assign (resid 74 and name HN )(resid 72 and name HN ) 5.06 1.12 1.44 assign (resid 72 and name HN )(resid 74 and name HN ) 6.00 1.33 1.71 assign (resid 72 and name HN )(resid 74 and name HB1 ) 5.61 1.25 1.60 assign (resid 72 and name HN )(resid 74 and name HB2 ) 5.92 1.31 1.69 assign (resid 74 and name HN )(resid 72 and name HA ) 4.86 1.08 1.39 assign (resid 74 and name HN )(resid 72 and name HB ) 4.56 1.01 1.30 assign (resid 74 and name HN )(resid 72 and name HG2# ) 5.02 1.11 1.43 assign (resid 71 and name HN )(resid 74 and name HN ) 4.87 1.08 1.39 assign (resid 71 and name HN )(resid 74 and name HA ) 5.94 1.32 1.69 assign (resid 71 and name HN )(resid 74 and name HB1 ) 3.73 0.83 1.06 assign (resid 71 and name HN )(resid 74 and name HB2 ) 4.01 0.89 1.14 assign (resid 71 and name HN )(resid 74 and name HG# ) 4.75 1.05 1.35 assign (resid 71 and name HG2# )(resid 74 and name HB1 ) 4.91 1.07 1.37 assign (resid 71 and name HG2# )(resid 74 and name HG# ) 5.48 1.20 1.54 assign (resid 74 and name HN )((resid 71 or resid 70) and name HA ) 4.34 0.96 1.24 assign (resid 74 and name HN )(resid 71 and name HG2# ) 5.13 1.14 1.46 ! A73 assign (resid 73 and name HN )(resid 73 and name HA ) 3.10 0.69 0.88 assign (resid 73 and name HA )(resid 73 and name HN ) 3.23 0.71 0.90 assign (resid 73 and name HN )(resid 73 and name HB# ) 2.63 0.58 0.75 assign (resid 73 and name HB# )(resid 73 and name HN ) 3.25 0.71 0.91 assign (resid 73 and name HN )(resid 72 and name HN ) 3.42 0.76 0.98 assign (resid 72 and name HN )(resid 73 and name HN ) 3.32 0.74 0.95 assign (resid 73 and name HN )(resid 72 and name HA ) 3.35 0.74 0.96 assign (resid 72 and name HA )(resid 73 and name HN ) 2.91 0.64 0.80 assign (resid 73 and name HN )(resid 72 and name HB ) 3.35 0.74 0.96 assign (resid 73 and name HN )(resid 72 and name HG11 ) 5.13 1.14 1.46 assign (resid 73 and name HN )((resid 72 and name HG12 ) or (resid 71 and name HG2# )) 4.20 0.93 1.20 assign (resid 73 and name HN )(resid 72 and name HG2# ) 3.76 0.83 1.07 assign (resid 72 and name HG2# )(resid 73 and name HN ) 4.20 0.92 1.18 assign (resid 72 and name HG2# )(resid 73 and name HA ) 4.42 0.97 1.24 assign (resid 73 and name HA )(resid 72 and name HG2# ) 3.99 0.87 1.12 assign (resid 73 and name HN )((resid 71 or resid 70) and name HA ) 3.30 0.73 0.94 assign (resid 71 and name HN )(resid 73 and name HB# ) 5.82 1.29 1.66 assign (resid 71 and name HA )(resid 73 and name HB# ) 4.93 1.08 1.38 assign (resid 73 and name HB# )((resid 71 or resid 70) and name HA ) 4.41 0.97 1.23 ! I72 assign (resid 72 and name HN )(resid 72 and name HA ) 3.20 0.71 0.91 assign (resid 72 and name HN )(resid 72 and name HB ) 2.70 0.60 0.77 assign (resid 72 and name HN )(resid 72 and name HG11 ) 3.44 0.76 0.98 assign (resid 72 and name HN )(resid 72 and name HG2# ) 3.61 0.80 1.03 assign (resid 72 and name HG2# )(resid 72 and name HN ) 4.45 0.97 1.25 assign (resid 72 and name HD# )(resid 72 and name HN ) 5.64 1.24 1.58 assign (resid 72 and name HA )(resid 72 and name HG2# ) 3.89 0.85 1.10 assign (resid 72 and name HG2# )(resid 72 and name HA ) 3.45 0.76 0.97 assign (resid 72 and name HD# )(resid 72 and name HA ) 3.60 0.79 1.01 assign (resid 72 and name HD# )(resid 72 and name HB ) 3.61 0.79 1.01 assign (resid 72 and name HN )(resid 71 and name HN ) 3.63 0.81 1.04 assign (resid 71 and name HN )(resid 72 and name HN ) 4.26 0.95 1.22 assign (resid 71 and name HA )(resid 72 and name HN ) 2.61 0.57 0.73 assign (resid 72 and name HG2# )(resid 71 and (name HA or name HB )) 4.89 1.09 1.39 assign (resid 72 and name HD# )(resid 71 and (name HA or name HB )) 5.39 1.18 1.51 ! T71 assign (resid 71 and name HA )(resid 71 and name HN ) 3.20 0.71 0.91 assign (resid 71 and name HN )(resid 71 and name HG2# ) 3.19 0.71 0.91 assign (resid 71 and name HG2# )(resid 71 and name HN ) 3.66 0.80 1.02 assign (resid 71 and name HA )(resid 71 and name HG2# ) 2.74 0.60 0.77 assign (resid 71 and name HN )(resid 70 and name HN ) 3.85 0.85 1.10 assign (resid 70 and name HN )(resid 71 and name HN ) 3.87 0.86 1.10 assign (resid 70 and name HA )(resid 71 and name HN ) 2.84 0.62 0.79 assign (resid 71 and name HN )(resid 70 and name HB1 ) 3.76 0.83 1.07 assign (resid 71 and name HN )(resid 70 and name HB2 ) 4.32 0.96 1.23 assign (resid 71 and name HN )(resid 70 and name HG# ) 5.36 1.19 1.53 assign (resid 71 and name HN )(resid 70 and name HD# ) 6.10 1.36 1.74 assign (resid 68 and name HN )(resid 71 and name HG2# ) 6.99 1.55 2.00 ! R70 assign (resid 70 and name HA )(resid 70 and name HN ) 2.87 0.63 0.80 assign (resid 70 and name HN )(resid 70 and name HB1 ) 3.68 0.82 1.05 assign (resid 70 and name HN )(resid 70 and name HB2 ) 3.41 0.76 0.97 assign (resid 70 and name HN )(resid 70 and name HG# ) 4.51 1.00 1.29 assign (resid 70 and name HN )(resid 70 and name HD# ) 5.87 1.30 1.68 assign (resid 70 and name HN )(resid 69 and name HB1 ) 2.62 0.58 0.75 assign (resid 70 and name HN )(resid 69 and name HG1 ) 5.66 1.26 1.61 assign (resid 70 and name HN )(resid 69 and name HG2 ) 4.71 1.05 1.34 assign (resid 70 and name HN )(resid 68 and name HA2 ) 6.00 1.33 1.71 assign (resid 69 and name HA )(resid 70 and name HN ) 2.76 0.60 0.77 assign (resid 68 and name HN )(resid 70 and name HN ) 6.00 1.33 1.71 ! P69 assign (resid 68 and name HN )(resid 69 and name HG2 ) 6.44 1.43 1.84 assign (resid 68 and name HN )(resid 69 and name HD# ) 4.22 0.94 1.20 assign (resid 68 and name HA1 )(resid 69 and name HG2 ) 4.20 0.92 1.18 assign (resid 68 and name HA1 )(resid 69 and name HD# ) 2.35 0.51 0.66 assign (resid 68 and name HA2 )(resid 69 and name HG2 ) 4.19 0.92 1.17 assign (resid 68 and name HA2 )(resid 69 and name HD# ) 2.30 0.50 0.64 ! G68 assign (resid 68 and name HN )(resid 68 and name HA1 ) 3.21 0.71 0.91 assign (resid 68 and name HA1 )(resid 68 and name HN ) 2.81 0.62 0.80 assign (resid 68 and name HN )(resid 68 and name HA2 ) 3.03 0.67 0.86 assign (resid 68 and name HA2 )(resid 68 and name HN ) 2.90 0.63 0.83 assign (resid 68 and name HN )(resid 67 and name HN ) 3.64 0.81 1.04 assign (resid 68 and name HN )(resid 67 and name HA ) 2.71 0.60 0.77 assign (resid 68 and name HN )(resid 67 and name HB1 ) 4.16 0.92 1.19 assign (resid 68 and name HN )(resid 67 and name HB2 ) 4.59 1.02 1.31 assign (resid 68 and name HN )(resid 67 and name HG# ) 5.54 1.23 1.58 assign (resid 68 and name HN )(resid 67 and name HD# ) 5.79 1.29 1.65 assign (resid 68 and name HN )(resid 67 and name HE# ) 7.38 1.64 2.11 assign (resid 68 and name HN )(resid 65 and name HA ) 6.57 1.46 1.88 assign (resid 68 and name HN )(resid 65 and name HB1 ) 7.15 1.59 2.04 ! K67 assign (resid 67 and name HN )(resid 66 and name HA ) 2.91 0.65 0.83 assign (resid 66 and name HN )(resid 67 and name HN ) 3.57 0.79 1.02 assign (resid 67 and name HN )(resid 65 and name HA ) 6.37 1.41 1.82 assign (resid 67 and name HN )(resid 65 and name HB1 ) 7.17 1.59 2.05 ! K66 assign (resid 66 and name HN )(resid 66 and name HA ) 3.20 0.71 0.91 assign (resid 66 and name HN )(resid 66 and name HB1 ) 3.45 0.77 0.98 assign (resid 66 and name HN )(resid 66 and name HB2 ) 3.14 0.70 0.90 assign (resid 66 and name HN )(resid 66 and name HD# ) 4.90 1.09 1.40 assign (resid 65 and name HN )(resid 66 and name HN ) 3.54 0.79 1.01 assign (resid 66 and name HN )(resid 65 and name HA ) 2.56 0.57 0.73 assign (resid 66 and name HN )(resid 65 and name HB1 ) 4.17 0.93 1.19 assign (resid 66 and name HN )(resid 65 and name HB2 ) 4.02 0.89 1.15 ! D65 assign (resid 65 and name HN )(resid 65 and name HA ) 3.20 0.71 0.91 assign (resid 65 and name HN )(resid 65 and name HB1 ) 3.47 0.77 0.99 assign (resid 65 and name HN )(resid 65 and name HB2 ) 3.11 0.69 0.89 assign (resid 65 and name HN )(resid 64 and name HN ) 3.73 0.83 1.06 assign (resid 65 and name HN )(resid 64 and name HA ) 2.50 0.83 1.06 assign (resid 65 and name HN )(resid 64 and name HB1 ) 4.00 0.89 1.14 assign (resid 65 and name HN )(resid 64 and name HB2 ) 4.31 0.96 1.23 assign (resid 65 and name HN )(resid 64 and name HG# ) 4.36 0.97 1.25 assign (resid 65 and name HN )(resid 63 and name HB1 ) 6.23 1.38 1.78 assign (resid 65 and name HN )(resid 63 and name HB2 ) 6.48 1.44 1.85 ! K64 assign (resid 64 and name HN )(resid 64 and name HA ) 2.60 0.58 0.74 assign (resid 64 and name HN )(resid 64 and name HB1 ) 3.66 0.81 1.04 assign (resid 64 and name HN )(resid 63 and name HN ) 3.81 0.85 1.09 assign (resid 63 and name HN )(resid 64 and name HN ) 3.83 0.85 1.09 assign (resid 64 and name HN )(resid 63 and name HA ) 2.68 0.59 0.76 assign (resid 64 and name HN )(resid 63 and name HB1 ) 4.35 0.97 1.24 assign (resid 64 and name HN )(resid 63 and name HB2 ) 4.41 0.98 1.26 assign (resid 64 and name HN )(resid 63 and name HD2 ) 6.52 1.45 1.86 ! H63 assign (resid 63 and name HN )(resid 63 and name HA ) 3.21 0.71 0.92 assign (resid 63 and name HN )(resid 63 and name HB1 ) 3.76 0.83 1.07 assign (resid 63 and name HN )(resid 63 and name HB2 ) 3.35 0.74 0.96 assign (resid 63 and name HN )(resid 63 and name HD2 ) 5.33 1.18 1.52 assign (resid 63 and name HN )(resid 62 and name HN ) 3.58 0.79 1.02 assign (resid 62 and name HN )(resid 63 and name HN ) 3.58 0.79 1.02 assign (resid 63 and name HN )(resid 62 and name HA ) 2.90 0.64 0.83 assign (resid 63 and name HN )(resid 62 and name HB# ) 3.72 0.83 1.06 ! A62 assign (resid 62 and name HN )(resid 62 and name HA ) 3.20 0.71 0.91 assign (resid 62 and name HN )(resid 62 and name HB# ) 2.58 0.57 0.74 assign (resid 62 and name HN )(resid 61 and name HN ) 3.58 0.79 1.02 assign (resid 61 and name HN )(resid 62 and name HN ) 3.38 0.75 0.97 assign (resid 62 and name HN )(resid 61 and name HA ) 2.54 0.56 0.73 assign (resid 62 and name HN )(resid 61 and name HB1 ) 2.65 0.59 0.76 assign (resid 62 and name HN )(resid 61 and name HB2 ) 2.55 0.57 0.73 assign (resid 59 and name HN )(resid 62 and name HB# ) 5.89 1.31 1.68 ! N61 assign (resid 61 and name HN )(resid 61 and name HA ) 3.20 0.71 0.91 assign (resid 61 and name HN )(resid 61 and name HB1 ) 3.33 0.74 0.95 assign (resid 61 and name HN )(resid 61 and name HB2 ) 3.03 0.67 0.87 assign (resid 61 and name HN )(resid 61 and name HD21 ) 5.45 1.21 1.56 assign (resid 61 and name HN )(resid 60 and name HN ) 3.38 0.75 0.97 assign (resid 60 and name HN )(resid 61 and name HN ) 3.40 0.75 0.97 assign (resid 61 and name HN )(resid 60 and name HA ) 2.44 0.54 0.70 assign (resid 61 and name HN )(resid 60 and name HB# ) 3.62 0.80 1.03 assign (resid 61 and name HN )(resid 60 and name HD# ) 4.50 1.00 1.28 ! F60 assign (resid 60 and name HN )(resid 60 and name HA ) 2.96 0.66 0.85 assign (resid 60 and name HN )(resid 60 and name HB# ) 2.81 0.62 0.80 assign (resid 60 and name HN )(resid 60 and name HD# ) 3.89 0.86 1.11 assign (resid 60 and name HN )(resid 59 and name HN ) 3.43 0.76 0.98 assign (resid 59 and name HN )(resid 60 and name HN ) 3.41 0.76 0.97 assign (resid 60 and name HN )(resid 59 and name HA# ) 2.71 0.60 0.77 assign (resid 57 and name HN )(resid 60 and name HB# ) 7.17 1.59 2.05 assign (resid 57 and name HN )(resid 60 and name HD# ) 7.13 1.58 2.03 assign (resid 60 and name HD# )(resid 57 and name HA# ) 3.81 0.84 1.08 ! G59 assign (resid 59 and name HN )(resid 59 and name HA# ) 2.59 0.58 0.74 assign (resid 59 and name HN )(resid 58 and name HN ) 3.45 0.77 0.98 assign (resid 58 and name HN )(resid 59 and name HN ) 3.58 0.79 1.02 assign (resid 58 and name HN )(resid 59 and name HA# ) 4.80 1.06 1.37 assign (resid 59 and name HN )(resid 58 and name HA ) 2.77 0.62 0.79 assign (resid 59 and name HN )(resid 58 and name HB1 ) 4.16 0.92 1.19 assign (resid 59 and name HN )(resid 58 and name HB2 ) 4.38 0.97 1.25 assign (resid 59 and name HN )(resid 58 and name HG# ) 5.24 1.16 1.49 ! Q58 assign (resid 58 and name HN )(resid 58 and name HB2 ) 3.20 0.71 0.91 assign (resid 58 and name HN )(resid 58 and name HG# ) 3.70 0.82 1.06 assign (resid 58 and name HN )(resid 57 and name HN ) 3.38 0.75 0.96 assign (resid 57 and name HN )(resid 58 and name HN ) 3.47 0.77 0.99 assign (resid 58 and name HN )(resid 57 and name HA# ) 3.08 0.68 0.88 assign (resid 57 and name HN )((resid 58 or resid 55) and name HA ) 4.48 1.00 1.28 assign (resid 57 and name HN )(resid 58 and name HG# ) 6.22 1.38 1.78 assign (resid 58 and name HN )(resid 54 and name HD1# ) 5.39 1.20 1.54 assign (resid 58 and name HN )(resid 54 and name HD2# ) 6.70 1.49 1.91 ! G57 assign (resid 57 and name HN )(resid 57 and name HA# ) 2.43 0.54 0.69 assign (resid 57 and name HN )(resid 56 and name HN ) 3.50 0.78 1.00 assign (resid 56 and name HN )(resid 57 and name HN ) 3.46 0.77 0.99 assign (resid 57 and name HN )(resid 56 and name HA ) 3.02 0.67 0.86 assign (resid 57 and name HN )(resid 56 and name HB# ) 3.80 0.84 1.08 assign (resid 57 and name HN )(resid 55 and (name HB1 or name HG )) 6.06 1.34 1.73 assign (resid 57 and name HN )(resid 55 and (name HB2 or name HG )) 5.63 1.25 1.61 assign (resid 57 and name HN )(resid 54 and name HA ) 5.49 1.22 1.57 assign (resid 57 and name HN )(resid 54 and name HD1# ) 6.81 1.51 1.94 assign (resid 57 and name HN )(resid 53 and name HA ) 5.52 1.23 1.58 assign (resid 57 and name HN )(resid 53 and name HB1 ) 7.35 1.63 2.10 assign (resid 57 and name HN )(resid 53 and name HB2 ) 7.14 1.58 2.04 ! S56 assign (resid 56 and name HN )(resid 56 and name HA ) 3.20 0.71 0.91 assign (resid 56 and name HN )(resid 56 and name HB# ) 3.15 0.70 0.90 assign (resid 56 and name HN )(resid 55 and name HN ) 3.14 0.70 0.90 assign (resid 56 and name HN )(resid 55 and name HA ) 3.13 0.69 0.89 assign (resid 56 and name HN )(resid 55 and (name HB1 or name HG )) 3.91 0.87 1.11 assign (resid 56 and name HN )(resid 55 and (name HB2 or name HG )) 3.88 0.86 1.11 assign (resid 56 and name HN )(resid 55 and name HD1# ) 5.55 1.23 1.58 assign (resid 56 and name HN )(resid 55 and name HD2# ) 5.17 1.15 1.47 assign (resid 56 and name HN )(resid 53 and name HA ) 4.37 0.97 1.25 assign (resid 56 and name HN )(resid 53 and name HB1 ) 6.40 1.42 1.83 ! L55 assign (resid 55 and name HN )(resid 55 and name HA ) 3.14 0.70 0.90 assign (resid 55 and name HN )((resid 55 or resid 54) and name HB1 ) 2.79 0.62 0.80 assign (resid 55 and name HN )((resid 55 or resid 54) and name HB2 ) 2.81 0.62 0.80 assign (resid 55 and name HN )((resid 55 or resid 54) and name HD1# ) 4.34 0.96 1.24 assign (resid 55 and name HN )((resid 55 or resid 54) and name HD2# ) 4.12 0.91 1.18 assign (resid 55 and name HN )(resid 54 and name HA ) 3.14 0.70 0.90 assign (resid 55 and name HN )(resid 53 and name HB1 ) 6.19 1.37 1.77 assign (resid 55 and name HN )(resid 53 and name HB2 ) 5.64 1.25 1.61 ! L54 assign (resid 54 and name HN )(resid 54 and name HA ) 3.20 0.71 0.91 assign (resid 54 and name HN )(resid 54 and (name HB1 or name HG )) 2.82 0.63 0.81 assign (resid 54 and name HN )(resid 54 and (name HB2 or name HG )) 2.98 0.66 0.85 assign (resid 54 and name HN )(resid 54 and name HD1# ) 4.52 1.00 1.29 assign (resid 54 and name HN )(resid 54 and name HD2# ) 4.50 1.00 1.28 assign (resid 54 and name HN )(resid 53 and name HN ) 3.09 0.69 0.88 assign (resid 53 and name HN )(resid 54 and name HN ) 3.06 0.68 0.87 assign (resid 53 and name HN )(resid 54 and name HD1# ) 5.41 1.20 1.54 assign (resid 54 and name HN )((resid 53 or resid 51) and name HA ) 2.82 0.63 0.80 assign (resid 54 and name HN )(resid 53 and name HB1 ) 4.03 0.89 1.15 assign (resid 54 and name HN )(resid 53 and name HB2 ) 3.82 0.85 1.09 assign (resid 54 and name HN )(resid 51 and name HB2 ) 6.66 1.48 1.90 assign (resid 54 and name HN )(resid 51 and name HD# ) 7.18 1.59 2.05 assign (resid 51 and name HN )(resid 54 and name HD1# ) 7.13 1.58 2.03 assign (resid 51 and name HA )(resid 54 and name HB# ) 4.56 1.00 1.28 assign (resid 51 and name HA )(resid 54 and name HD# ) 5.24 1.15 1.47 ! D53 assign (resid 53 and name HN )(resid 53 and name HA ) 3.20 0.71 0.91 assign (resid 53 and name HN )(resid 53 and name HB1 ) 3.25 0.72 0.93 assign (resid 53 and name HN )(resid 53 and name HB2 ) 2.89 0.64 0.82 assign (resid 53 and name HN )(resid 52 and name HA ) 3.05 0.68 0.87 assign (resid 53 and name HN )(resid 52 and name HB1 ) 3.72 0.83 1.06 assign (resid 53 and name HN )(resid 52 and name HB2 ) 3.67 0.81 1.05 assign (resid 53 and name HN )(resid 52 and name HG# ) 4.43 0.98 1.26 ! E52 assign (resid 52 and name HN )(resid 52 and name HA ) 3.17 0.70 0.90 assign (resid 52 and name HN )(resid 52 and name HB1 ) 3.69 0.82 1.05 assign (resid 52 and name HN )(resid 52 and name HB2 ) 3.39 0.75 0.97 assign (resid 52 and name HN )(resid 51 and name HN ) 3.42 0.76 0.98 assign (resid 51 and name HN )(resid 52 and name HN ) 3.44 0.76 0.98 assign (resid 51 and name HN )(resid 52 and name HG# ) 6.59 1.46 1.88 assign (resid 52 and name HN )(resid 51 and name HA ) 2.83 0.63 0.81 assign (resid 51 and name HA )(resid 52 and name HN ) 3.29 0.72 0.92 assign (resid 52 and name HN )(resid 51 and name HB1 ) 4.09 0.91 1.17 assign (resid 52 and name HN )(resid 51 and name HB2 ) 4.20 0.93 1.20 assign (resid 52 and name HN )(resid 51 and name HD# ) 5.24 1.16 1.49 assign (resid 52 and name HN )(resid 49 and name HA ) 4.80 1.07 1.37 assign (resid 52 and name HN )(resid 49 and name HB# ) 6.38 1.42 1.82 ! F51 assign (resid 51 and name HN )((resid 51 or resid 50) and name HA ) 2.48 0.55 0.71 assign (resid 51 and name HA )(resid 51 and name HN ) 3.19 0.70 0.89 assign (resid 51 and name HN )(resid 51 and name HB1 ) 3.25 0.72 0.93 assign (resid 51 and name HN )(resid 51 and name HB2 ) 3.03 0.67 0.86 assign (resid 51 and name HN )(resid 51 and name HD# ) 4.15 0.92 1.18 assign (resid 51 and name HA )(resid 51 and name HD# ) 3.86 0.85 1.08 assign (resid 51 and name HN )(resid 50 and name HN ) 3.44 0.76 0.98 assign (resid 50 and name HN )(resid 51 and name HN ) 3.43 0.76 0.98 assign (resid 51 and name HN )(resid 50 and name HB# ) 3.54 0.79 1.01 assign (resid 51 and name HN )(resid 49 and name HB# ) 5.43 1.21 1.55 assign (resid 51 and name HN )(resid 48 and name HA ) 4.72 1.05 1.35 assign (resid 51 and name HN )(resid 48 and name HB# ) 5.91 1.31 1.69 assign (resid 48 and name HN )(resid 51 and name HB2 ) 7.81 1.73 2.23 assign (resid 48 and name HN )(resid 51 and name HD# ) 8.05 1.79 2.30 ! D50 assign (resid 50 and name HN )(resid 50 and name HA ) 3.20 0.71 0.91 assign (resid 50 and name HN )(resid 50 and name HB# ) 2.97 0.66 0.85 assign (resid 50 and name HN )(resid 49 and name HN ) 3.49 0.78 1.00 assign (resid 49 and name HN )(resid 50 and name HN ) 3.60 0.80 1.03 assign (resid 50 and name HN )(resid 49 and name HA ) 2.63 0.58 0.75 assign (resid 50 and name HN )(resid 49 and name HB# ) 3.39 0.75 0.97 assign (resid 50 and name HN )(resid 48 and name HB# ) 4.50 1.00 1.28 ! A49 assign (resid 49 and name HN )((resid 49 or resid 48) and name HA ) 2.49 0.55 0.71 assign (resid 49 and name HN )(resid 49 and name HB# ) 2.79 0.62 0.79 assign (resid 49 and name HN )(resid 48 and name HB# ) 3.38 0.75 0.97 ! A48 assign (resid 48 and name HN )((resid 48 or resid 47) and name HA ) 2.44 0.54 0.70 assign (resid 48 and name HN )(resid 48 and name HB# ) 2.82 0.63 0.80 assign (resid 48 and name HN )(resid 47 and name HB1 ) 4.18 0.93 1.19 assign (resid 48 and name HN )(resid 47 and name HB2 ) 4.59 1.02 1.31 assign (resid 48 and name HN )(resid 47 and name HD# ) 6.14 1.36 1.75
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