#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h5i s LYS 186 N 0.00 1.47 0.21 -1.40 1.02 -1.26 -5.17 119.74 114.62 2h5i s LYS 186 Ca 0.00 -1.67 0.10 0.00 0.02 0.00 0.00 55.97 54.41 2h5i s LYS 186 Cb 0.00 -1.34 -0.05 0.00 -0.52 0.00 0.00 37.83 35.92 2h5i s LYS 186 CO 0.00 0.21 -0.19 0.96 -0.92 0.00 0.00 175.35 175.41 2h5i s ILE 187 N -2.82 2.10 0.53 2.17 -4.36 -1.26 -5.14 121.20 112.42 2h5i s ILE 187 Ca 0.26 -2.13 -0.22 0.00 -0.26 0.00 0.00 60.65 58.31 2h5i s ILE 187 Cb -0.02 -2.06 -0.05 0.00 1.25 0.00 0.00 42.46 41.58 2h5i s ILE 187 CO 0.10 -0.34 1.26 -2.84 0.24 0.00 0.00 174.94 173.36 2h5i s PRO 188 N -3.11 3.31 0.42 0.37 0.02 -1.26 -4.92 135.00 129.83 2h5i s PRO 188 Ca 0.22 2.00 0.29 0.00 0.02 0.00 0.00 61.00 63.53 2h5i s PRO 188 Cb -0.05 -2.24 1.15 0.00 0.02 0.00 0.00 34.50 33.38 2h5i s PRO 188 CO 0.10 -0.98 1.85 -0.39 -0.33 0.00 0.00 177.00 177.25 2h5i h VAL 189 N 1.48 0.00 -0.01 3.83 -1.51 -2.05 -2.89 116.25 115.09 2h5i h VAL 189 Ca -0.50 -0.42 0.00 0.00 -1.23 0.00 0.00 66.70 64.55 2h5i h VAL 189 Cb 1.28 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 31.76 2h5i h VAL 189 CO 0.58 0.00 -0.08 -0.62 -1.23 0.00 0.00 177.57 176.22 2h5i n GLU 190 N -2.72 1.49 -1.83 5.19 -0.58 -1.26 -4.97 120.64 115.96 2h5i n GLU 190 Ca 0.02 -0.92 -0.33 0.00 -0.42 0.00 0.00 57.16 55.50 2h5i n GLU 190 Cb 0.29 -1.48 0.04 0.00 -0.57 0.00 0.00 31.44 29.72 2h5i n GLU 190 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2h5i s ALA 191 N -2.15 2.55 -0.90 0.62 0.00 -1.09 -4.11 121.76 116.69 2h5i s ALA 191 Ca 0.33 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.78 2h5i s ALA 191 Cb 0.20 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 20.03 2h5i s ALA 191 CO 0.39 -1.14 0.00 -0.25 0.00 0.00 0.00 175.76 174.76 2h5i n ASP 192 N -2.32 -3.56 -4.78 0.00 8.00 -0.48 -5.01 116.55 108.39 2h5i n ASP 192 Ca 0.10 0.06 -0.34 0.00 0.71 0.00 0.00 54.79 55.32 2h5i n ASP 192 Cb 0.52 -2.58 -0.07 0.00 -0.02 0.00 0.00 41.12 38.97 2h5i n ASP 192 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2h5i s PHE 193 N -2.46 3.33 -0.07 1.24 0.08 -1.25 -4.86 117.98 113.99 2h5i s PHE 193 Ca 0.00 0.27 0.02 0.00 0.12 0.00 0.00 56.93 57.34 2h5i s PHE 193 Cb 0.00 -1.79 0.01 0.00 -0.57 0.00 0.00 43.02 40.67 2h5i s PHE 193 CO 0.00 0.57 -0.12 -1.17 -0.10 0.00 0.00 175.22 174.40 2h5i s LEU 194 N -1.44 1.60 -0.29 -0.37 0.20 -1.26 -0.99 118.68 116.13 2h5i s LEU 194 Ca 0.20 -0.31 -0.04 0.00 0.69 0.00 0.00 54.13 54.67 2h5i s LEU 194 Cb -0.12 -0.85 0.03 0.00 -0.43 0.00 0.00 46.19 44.82 2h5i s LEU 194 CO 0.10 0.02 0.02 -0.31 -0.29 0.00 0.00 176.35 175.89 2h5i s TYR 195 N 0.80 3.17 -0.61 5.38 1.51 -0.35 -5.02 117.35 122.23 2h5i s TYR 195 Ca -0.12 -1.42 -0.12 0.00 -1.01 0.00 0.00 57.07 54.40 2h5i s TYR 195 Cb -0.15 -2.17 0.16 0.00 -0.11 0.00 0.00 41.96 39.69 2h5i s TYR 195 CO 0.02 -0.70 0.53 0.00 -1.11 0.00 0.00 175.55 174.29 2h5i s ALA 196 N 1.38 3.70 0.17 3.71 0.00 -1.26 -0.98 121.76 128.47 2h5i s ALA 196 Ca -0.01 -2.84 -0.17 0.00 0.00 0.00 0.00 51.96 48.95 2h5i s ALA 196 Cb -0.18 -3.15 -0.07 0.00 0.00 0.00 0.00 23.12 19.72 2h5i s ALA 196 CO -0.00 -2.07 0.61 0.71 0.00 0.00 0.00 175.76 175.01 2h5i s TYR 197 N 0.94 3.63 -0.24 0.00 2.02 -0.79 -4.99 117.35 117.93 2h5i s TYR 197 Ca 0.10 1.19 0.28 0.00 -0.37 0.00 0.00 57.07 58.27 2h5i s TYR 197 Cb -0.22 -2.47 0.90 0.00 -0.40 0.00 0.00 41.96 39.77 2h5i s TYR 197 CO -0.02 0.40 1.80 0.66 -1.57 0.00 0.00 175.55 176.82 2h5i h SER 198 N 3.57 0.00 -5.25 2.29 4.64 -1.94 -2.31 113.55 114.54 2h5i h SER 198 Ca -0.48 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.73 2h5i h SER 198 Cb 1.19 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.16 2h5i h SER 198 CO 0.65 0.00 -0.32 0.28 -0.87 0.00 0.00 176.83 176.57 2h5i s THR 199 N -3.41 0.07 0.67 2.95 -1.32 -1.26 -3.70 115.64 109.64 2h5i s THR 199 Ca 0.05 -1.36 -0.14 0.00 -1.21 0.00 0.00 61.69 59.03 2h5i s THR 199 Cb 0.08 -1.78 0.00 0.00 -1.51 0.00 0.00 72.50 69.29 2h5i s THR 199 CO 0.58 -0.33 1.08 0.00 -2.21 0.00 0.00 174.62 173.74 2h5i s ALA 200 N -3.96 2.53 0.26 11.08 0.00 -0.99 -4.26 121.76 126.42 2h5i s ALA 200 Ca 0.16 0.37 -0.31 0.00 0.00 0.00 0.00 51.96 52.18 2h5i s ALA 200 Cb 0.03 -3.26 -0.12 0.00 0.00 0.00 0.00 23.12 19.77 2h5i s ALA 200 CO -0.01 -1.25 1.59 -2.30 0.00 0.00 0.00 175.76 173.79 2h5i n PRO 201 N -2.66 2.58 -0.13 0.00 -0.02 -1.26 -2.27 135.00 131.24 2h5i n PRO 201 Ca 0.09 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 2h5i n PRO 201 Cb 0.53 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 2h5i n PRO 201 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h5i n GLY 202 N 2.57 1.28 3.84 -1.23 0.00 -1.26 -5.06 105.19 105.33 2h5i n GLY 202 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2h5i n GLY 202 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2h5i s TYR 203 N -2.62 3.30 0.91 1.61 1.51 -0.96 -5.11 117.35 115.99 2h5i s TYR 203 Ca 0.00 0.09 -0.10 0.00 -1.01 0.00 0.00 57.07 56.05 2h5i s TYR 203 Cb 0.00 -1.63 0.14 0.00 -0.11 0.00 0.00 41.96 40.36 2h5i s TYR 203 CO 0.00 0.53 1.12 0.71 -1.11 0.00 0.00 175.55 176.81 2h5i s TYR 204 N -1.58 1.82 -0.01 2.71 2.02 -1.26 -4.86 117.35 116.20 2h5i s TYR 204 Ca 0.32 1.66 0.08 0.00 -0.37 0.00 0.00 57.07 58.76 2h5i s TYR 204 Cb -0.12 -3.25 -0.02 0.00 -0.40 0.00 0.00 41.96 38.17 2h5i s TYR 204 CO 0.25 -2.69 -0.26 0.45 -1.57 0.00 0.00 175.55 171.73 2h5i s SER 205 N -2.84 3.08 -0.07 2.29 0.15 -1.26 -4.86 113.70 110.19 2h5i s SER 205 Ca 0.66 -0.48 -0.04 0.00 0.70 0.00 0.00 55.95 56.78 2h5i s SER 205 Cb -0.22 -0.34 -0.04 0.00 -1.71 0.00 0.00 66.02 63.72 2h5i s SER 205 CO 0.58 0.31 0.11 0.26 1.20 0.00 0.00 173.24 175.71 2h5i s TRP 206 N -0.64 3.45 -0.04 3.44 0.52 -1.26 -5.11 118.94 119.30 2h5i s TRP 206 Ca 0.10 0.37 0.01 0.00 0.02 0.00 0.00 56.10 56.60 2h5i s TRP 206 Cb -0.10 -1.85 0.02 0.00 -1.15 0.00 0.00 33.47 30.39 2h5i s TRP 206 CO -0.01 0.63 -0.06 0.50 0.02 0.00 0.00 176.95 178.04 2h5i s ARG 207 N -1.35 0.84 -0.13 4.98 3.52 -1.26 -2.84 118.95 122.72 2h5i s ARG 207 Ca 0.19 -0.16 -0.13 0.00 -0.13 0.00 0.00 55.73 55.50 2h5i s ARG 207 Cb -0.12 -0.82 -0.05 0.00 -1.56 0.00 0.00 34.95 32.40 2h5i s ARG 207 CO 0.09 -0.02 0.30 1.21 -0.81 0.00 0.00 175.30 176.07 2h5i s ASN 208 N 0.67 6.50 0.45 -2.12 3.84 -0.26 -4.93 114.94 119.09 2h5i s ASN 208 Ca -0.09 0.59 0.30 0.00 0.21 0.00 0.00 52.86 53.87 2h5i s ASN 208 Cb -0.12 -2.18 1.27 0.00 -0.55 0.00 0.00 41.25 39.66 2h5i s ASN 208 CO 0.00 0.17 1.90 0.77 -2.79 0.00 0.00 177.10 177.15 2h5i h SER 209 N 6.13 0.00 0.08 -4.21 4.64 -2.02 -1.32 113.55 116.86 2h5i h SER 209 Ca -0.45 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.51 2h5i h SER 209 Cb 1.18 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.21 2h5i h SER 209 CO 0.71 0.00 -2.28 1.17 -0.87 0.00 0.00 176.83 175.56 2h5i n LYS 210 N -2.77 0.68 -0.00 4.77 4.81 -1.26 -4.69 118.16 119.69 2h5i n LYS 210 Ca 0.01 0.13 0.07 0.00 -0.87 0.00 0.00 58.31 57.65 2h5i n LYS 210 Cb 0.27 -1.59 -0.09 0.00 0.02 0.00 0.00 35.03 33.64 2h5i n LYS 210 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2h5i n ASP 211 N -3.10 0.95 0.00 3.14 8.00 -1.19 -5.12 116.55 119.23 2h5i n ASP 211 Ca -0.36 -0.60 0.00 0.00 0.71 0.00 0.00 54.79 54.54 2h5i n ASP 211 Cb 1.06 1.19 0.00 0.00 -0.02 0.00 0.00 41.12 43.35 2h5i n ASP 211 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2h5i n GLY 212 N 1.43 -3.93 3.80 0.44 0.00 -0.50 -4.91 105.19 101.51 2h5i n GLY 212 Ca 0.01 -2.12 -0.35 0.00 0.00 0.00 0.00 46.02 43.57 2h5i n GLY 212 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2h5i s SER 213 N -0.58 6.67 0.20 1.61 1.04 -1.26 -1.10 113.70 120.28 2h5i s SER 213 Ca 0.00 1.90 -0.11 0.00 0.48 0.00 0.00 55.95 58.22 2h5i s SER 213 Cb 0.00 -2.56 0.21 0.00 0.10 0.00 0.00 66.02 63.77 2h5i s SER 213 CO 0.00 -0.55 1.77 -0.50 0.98 0.00 0.00 173.24 174.94 2h5i h TRP 214 N 2.03 0.45 -0.05 5.02 6.55 -1.90 -1.99 115.95 126.06 2h5i h TRP 214 Ca -0.49 0.03 -0.02 0.00 0.95 0.00 0.00 58.89 59.36 2h5i h TRP 214 Cb 1.21 -0.12 -0.00 0.00 -0.86 0.00 0.00 29.16 29.39 2h5i h TRP 214 CO 0.59 0.17 -0.05 0.35 -1.05 0.00 0.00 178.44 178.45 2h5i h PHE 215 N 0.47 0.14 -0.60 0.49 3.57 -1.90 -2.41 116.94 116.70 2h5i h PHE 215 Ca 0.27 -0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.64 2h5i h PHE 215 Cb 0.26 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 2h5i h PHE 215 CO -0.13 0.58 0.04 0.82 -2.23 0.00 0.00 178.31 177.39 2h5i h ILE 216 N -0.34 1.26 -0.45 1.41 1.08 -1.94 0.06 117.51 118.58 2h5i h ILE 216 Ca 0.01 -1.08 0.09 0.00 -0.39 0.00 0.00 64.86 63.48 2h5i h ILE 216 Cb 0.56 0.79 -0.08 0.00 -3.07 0.00 0.00 36.82 35.01 2h5i h ILE 216 CO 0.01 0.39 -0.06 1.56 -0.69 0.00 0.00 178.15 179.37 2h5i h GLN 217 N 0.92 0.05 -0.39 2.37 4.20 -1.41 -1.11 115.11 119.73 2h5i h GLN 217 Ca 0.17 -0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.73 2h5i h GLN 217 Cb 0.50 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2h5i h GLN 217 CO 0.02 0.03 -0.36 0.77 -0.67 0.00 0.00 178.83 178.62 2h5i h SER 218 N 0.05 0.98 -0.22 1.46 0.02 -1.21 -2.57 113.55 112.06 2h5i h SER 218 Ca 0.22 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2h5i h SER 218 Cb 0.34 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2h5i h SER 218 CO -0.42 1.23 0.14 0.25 -1.14 0.00 0.00 176.83 176.89 2h5i h LEU 219 N 0.76 0.26 -0.56 5.07 5.85 -0.72 -1.96 115.31 124.01 2h5i h LEU 219 Ca 0.07 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 2h5i h LEU 219 Cb 0.95 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 2h5i h LEU 219 CO 0.09 0.20 -0.04 0.00 -0.34 0.00 0.00 178.44 178.35 2h5i h ALA 221 N 0.95 0.89 -0.06 0.00 0.00 -1.37 -1.41 119.26 118.26 2h5i h ALA 221 Ca 0.15 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 2h5i h ALA 221 Cb 0.60 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2h5i h ALA 221 CO 0.04 0.30 -0.72 0.52 0.00 0.00 0.00 179.25 179.39 2h5i h MET 222 N 0.94 0.31 -0.62 0.00 2.07 -1.14 -2.35 114.93 114.14 2h5i h MET 222 Ca 0.26 -0.26 -0.03 0.00 -2.07 0.00 0.00 59.70 57.60 2h5i h MET 222 Cb -0.10 0.05 -0.03 0.00 -1.87 0.00 0.00 31.60 29.66 2h5i h MET 222 CO -0.06 0.90 0.26 -0.07 1.07 0.00 0.00 176.91 179.01 2h5i h LEU 223 N 0.21 0.84 -0.69 1.22 3.38 -1.12 -0.85 115.31 118.29 2h5i h LEU 223 Ca -0.03 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.79 2h5i h LEU 223 Cb 1.28 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 2h5i h LEU 223 CO 0.12 0.76 0.46 0.11 0.09 0.00 0.00 178.44 179.98 2h5i h LYS 224 N 0.85 0.90 0.00 1.13 1.57 -1.14 -1.56 116.57 118.33 2h5i h LYS 224 Ca 0.21 -0.05 -0.19 0.00 -1.87 0.00 0.00 60.65 58.74 2h5i h LYS 224 Cb 0.18 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 2h5i h LYS 224 CO -0.02 0.60 -0.90 0.37 -0.57 0.00 0.00 179.45 178.93 2h5i h GLN 225 N 0.93 0.00 0.00 3.15 4.15 -1.29 -3.41 115.11 118.65 2h5i h GLN 225 Ca 0.25 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.67 2h5i h GLN 225 Cb -0.11 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.58 2h5i h GLN 225 CO -0.06 0.90 0.00 0.66 -1.93 0.00 0.00 178.83 178.40 2h5i n TYR 226 N -3.38 0.00 0.29 3.99 4.01 -0.34 -4.74 117.16 116.98 2h5i n TYR 226 Ca 0.00 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.90 2h5i n TYR 226 Cb 0.88 0.00 0.87 0.00 -0.31 0.00 0.00 39.34 40.77 2h5i n TYR 226 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2h5i h ALA 227 N 0.00 1.26 -0.43 -0.72 0.00 -1.44 -0.14 119.26 117.79 2h5i h ALA 227 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2h5i h ALA 227 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2h5i h ALA 227 CO 0.00 0.07 0.00 -0.40 0.00 0.00 0.00 179.25 178.92 2h5i n ASP 228 N -3.53 2.34 0.00 0.00 5.75 -1.26 -4.32 116.55 115.53 2h5i n ASP 228 Ca -0.02 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.75 2h5i n ASP 228 Cb 0.18 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 2h5i n ASP 228 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2h5i n LYS 229 N 0.75 0.41 -4.30 0.11 5.02 -0.15 -5.01 118.16 114.99 2h5i n LYS 229 Ca 0.14 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.19 2h5i n LYS 229 Cb 0.37 -0.76 -0.12 0.00 -0.02 0.00 0.00 35.03 34.50 2h5i n LYS 229 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2h5i s LEU 230 N -3.73 2.32 0.58 -0.35 1.43 -0.69 -5.13 118.68 113.10 2h5i s LEU 230 Ca 0.00 -0.71 -0.19 0.00 -1.03 0.00 0.00 54.13 52.20 2h5i s LEU 230 Cb 0.00 -0.91 -0.04 0.00 0.03 0.00 0.00 46.19 45.27 2h5i s LEU 230 CO 0.00 0.06 1.16 -0.70 0.23 0.00 0.00 176.35 177.10 2h5i s GLU 231 N -2.03 3.14 0.29 1.70 -6.30 -1.26 -4.78 118.70 109.45 2h5i s GLU 231 Ca 0.08 1.68 -0.02 0.00 -2.50 0.00 0.00 54.97 54.21 2h5i s GLU 231 Cb -0.09 -1.97 0.41 0.00 0.00 0.00 0.00 34.13 32.48 2h5i s GLU 231 CO 0.05 -1.04 1.92 0.35 0.02 0.00 0.00 175.26 176.55 2h5i h PHE 232 N 0.96 1.01 -0.17 5.30 3.57 -1.69 -1.75 116.94 124.17 2h5i h PHE 232 Ca -0.50 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 60.94 2h5i h PHE 232 Cb 1.28 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 2h5i h PHE 232 CO 0.50 0.69 -0.11 0.52 -2.23 0.00 0.00 178.31 177.68 2h5i h MET 233 N 1.04 0.26 -0.02 1.11 2.86 -1.93 -1.43 114.93 116.82 2h5i h MET 233 Ca 0.27 -0.06 -0.17 0.00 -2.06 0.00 0.00 59.70 57.68 2h5i h MET 233 Cb 0.01 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 2h5i h MET 233 CO -0.05 0.38 -0.75 0.45 1.06 0.00 0.00 176.91 178.01 2h5i h HIS 234 N 0.25 0.19 -0.35 -0.22 3.86 -1.72 -1.79 115.15 115.36 2h5i h HIS 234 Ca 0.05 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 2h5i h HIS 234 Cb 0.35 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 2h5i h HIS 234 CO 0.01 0.83 0.14 0.82 0.86 0.00 0.00 177.93 180.58 2h5i h ILE 235 N 0.09 1.19 0.00 2.45 2.04 -0.94 -2.77 117.51 119.57 2h5i h ILE 235 Ca -0.02 -0.58 -0.07 0.00 1.00 0.00 0.00 64.86 65.19 2h5i h ILE 235 Cb 1.31 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 2h5i h ILE 235 CO 0.11 0.21 -0.32 -0.07 0.00 0.00 0.00 178.15 178.08 2h5i h LEU 236 N 0.43 0.00 -0.72 1.44 3.38 -1.15 -1.86 115.31 116.82 2h5i h LEU 236 Ca 0.12 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2h5i h LEU 236 Cb 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2h5i h LEU 236 CO -0.01 0.32 0.22 0.74 0.09 0.00 0.00 178.44 179.80 2h5i h THR 237 N 0.00 1.26 -0.15 0.22 2.02 -1.23 -1.32 112.91 113.71 2h5i h THR 237 Ca -0.00 -0.91 -0.10 0.00 0.77 0.00 0.00 66.41 66.17 2h5i h THR 237 Cb 0.67 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 2h5i h THR 237 CO 0.04 0.35 -0.35 0.03 0.37 0.00 0.00 175.52 175.96 2h5i h ARG 238 N 1.06 0.32 -0.39 6.66 3.08 -1.08 -2.43 114.38 121.59 2h5i h ARG 238 Ca 0.23 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2h5i h ARG 238 Cb 0.31 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 2h5i h ARG 238 CO -0.01 0.63 0.25 0.28 -1.07 0.00 0.00 179.97 180.06 2h5i h VAL 239 N 0.27 1.11 -0.39 2.04 2.07 -1.19 -1.66 116.25 118.51 2h5i h VAL 239 Ca 0.03 -0.22 0.07 0.00 0.82 0.00 0.00 66.70 67.40 2h5i h VAL 239 Cb 0.75 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 2h5i h VAL 239 CO 0.06 0.11 0.02 0.78 0.02 0.00 0.00 177.57 178.56 2h5i h ASN 240 N 0.53 -0.11 -0.79 0.57 4.21 -0.92 -2.00 115.58 117.07 2h5i h ASN 240 Ca 0.14 0.08 -0.05 0.00 1.21 0.00 0.00 56.30 57.68 2h5i h ASN 240 Cb -0.04 0.14 -0.03 0.00 -1.12 0.00 0.00 38.32 37.26 2h5i h ASN 240 CO -0.03 -0.02 0.29 -0.09 -1.29 0.00 0.00 177.43 176.30 2h5i h ARG 241 N 0.13 1.19 -0.39 0.81 2.43 -1.35 -1.92 114.38 115.29 2h5i h ARG 241 Ca 0.19 -0.23 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 2h5i h ARG 241 Cb 0.25 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2h5i h ARG 241 CO -0.29 0.98 0.04 -0.22 -1.51 0.00 0.00 179.97 178.96 2h5i h LYS 242 N 1.15 0.67 -0.50 0.20 3.64 -1.01 -1.33 116.57 119.39 2h5i h LYS 242 Ca 0.26 -0.19 -0.10 0.00 -1.27 0.00 0.00 60.65 59.35 2h5i h LYS 242 Cb 0.25 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 2h5i h LYS 242 CO -0.02 0.74 -0.06 0.28 -2.27 0.00 0.00 179.45 178.12 2h5i h VAL 243 N 0.50 1.27 -0.07 2.00 2.07 -1.30 -1.55 116.25 119.17 2h5i h VAL 243 Ca 0.12 -1.18 -0.13 0.00 0.82 0.00 0.00 66.70 66.32 2h5i h VAL 243 Cb 0.41 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2h5i h VAL 243 CO 0.01 0.41 -0.56 0.00 0.02 0.00 0.00 177.57 177.46 2h5i h ALA 244 N 0.91 0.93 0.01 1.67 0.00 -1.28 -3.30 119.26 118.20 2h5i h ALA 244 Ca 0.13 -0.51 -0.37 0.00 0.00 0.00 0.00 54.91 54.16 2h5i h ALA 244 Cb 0.60 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 2h5i h ALA 244 CO 0.04 0.70 -2.34 0.25 0.00 0.00 0.00 179.25 177.90 2h5i n THR 245 N -3.90 1.46 0.94 0.00 -2.24 -0.51 -4.68 114.28 105.36 2h5i n THR 245 Ca -0.02 -0.75 0.11 0.00 -2.27 0.00 0.00 64.05 61.12 2h5i n THR 245 Cb 0.58 -0.89 0.02 0.00 -2.10 0.00 0.00 70.33 67.95 2h5i n THR 245 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2h5i n GLU 246 N -2.98 0.04 -4.85 -0.78 1.02 -0.59 -4.95 120.64 107.56 2h5i n GLU 246 Ca -0.36 -0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.48 2h5i n GLU 246 Cb 1.09 -1.51 -0.14 0.00 -0.02 0.00 0.00 31.44 30.86 2h5i n GLU 246 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2h5i s PHE 247 N -3.03 2.38 -0.17 -0.32 0.08 -1.24 -5.08 117.98 110.61 2h5i s PHE 247 Ca 0.08 -0.37 -0.13 0.00 0.12 0.00 0.00 56.93 56.63 2h5i s PHE 247 Cb 0.16 -1.41 0.05 0.00 -0.57 0.00 0.00 43.02 41.25 2h5i s PHE 247 CO 0.80 0.16 0.43 -2.00 -0.10 0.00 0.00 175.22 174.51 2h5i s GLU 248 N -1.28 0.47 0.58 0.44 2.12 -1.26 -4.77 118.70 114.99 2h5i s GLU 248 Ca 0.12 0.68 -0.17 0.00 0.36 0.00 0.00 54.97 55.96 2h5i s GLU 248 Cb -0.10 0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.39 2h5i s GLU 248 CO 0.03 -0.10 1.07 -1.54 -0.54 0.00 0.00 175.26 174.18 2h5i s SER 249 N 0.68 5.80 -0.14 -1.70 1.04 -0.69 -4.88 113.70 113.82 2h5i s SER 249 Ca -0.04 1.90 0.01 0.00 0.48 0.00 0.00 55.95 58.31 2h5i s SER 249 Cb -0.05 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.54 2h5i s SER 249 CO -0.05 -1.15 -0.17 0.12 0.98 0.00 0.00 173.24 172.97 2h5i s PHE 250 N -2.27 2.32 -0.01 5.02 2.19 -1.26 -1.77 117.98 122.19 2h5i s PHE 250 Ca 0.66 -1.23 -0.04 0.00 0.33 0.00 0.00 56.93 56.64 2h5i s PHE 250 Cb -0.17 -1.65 0.00 0.00 -1.31 0.00 0.00 43.02 39.89 2h5i s PHE 250 CO 0.33 -0.63 0.09 0.45 1.83 0.00 0.00 175.22 177.29 2h5i s SER 251 N 1.17 0.01 0.12 6.13 0.15 -1.26 -4.96 113.70 115.06 2h5i s SER 251 Ca -0.01 -0.07 0.22 0.00 0.70 0.00 0.00 55.95 56.79 2h5i s SER 251 Cb -0.14 0.19 0.87 0.00 -1.71 0.00 0.00 66.02 65.23 2h5i s SER 251 CO -0.07 -0.20 1.67 0.49 1.20 0.00 0.00 173.24 176.34 2h5i n PHE 252 N 2.22 0.44 -3.33 3.44 3.72 -1.26 -4.64 117.46 118.05 2h5i n PHE 252 Ca -0.18 0.16 -0.40 0.00 -0.05 0.00 0.00 57.45 56.98 2h5i n PHE 252 Cb 0.57 -0.75 -0.08 0.00 -0.94 0.00 0.00 39.48 38.27 2h5i n PHE 252 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2h5i s ASP 253 N -3.68 6.32 0.42 4.37 -1.08 -1.26 -4.98 116.67 116.78 2h5i s ASP 253 Ca 0.08 0.32 0.10 0.00 -0.52 0.00 0.00 52.55 52.53 2h5i s ASP 253 Cb 0.11 -2.24 0.93 0.00 -1.46 0.00 0.00 42.92 40.27 2h5i s ASP 253 CO 0.40 -0.25 2.04 0.00 0.52 0.00 0.00 175.17 177.88 2h5i h ALA 254 N 8.15 1.83 -0.37 3.66 0.00 -1.96 -1.30 119.26 129.27 2h5i h ALA 254 Ca -0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2h5i h ALA 254 Cb 1.15 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2h5i h ALA 254 CO 0.68 0.11 0.23 1.15 0.00 0.00 0.00 179.25 181.43 2h5i h THR 255 N 0.48 1.10 -0.17 0.00 2.02 -1.96 -3.08 112.91 111.31 2h5i h THR 255 Ca 0.19 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2h5i h THR 255 Cb 0.15 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2h5i h THR 255 CO -0.05 0.10 0.00 0.49 0.37 0.00 0.00 175.52 176.43 2h5i n PHE 256 N -4.47 0.20 -3.16 3.16 3.01 -0.52 -5.02 117.46 110.65 2h5i n PHE 256 Ca 0.02 -0.14 -0.38 0.00 1.01 0.00 0.00 57.45 57.97 2h5i n PHE 256 Cb 0.07 -0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.48 2h5i n PHE 256 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 2h5i s HIS 257 N -1.29 3.76 -1.08 1.38 2.46 -1.02 -4.37 115.29 115.13 2h5i s HIS 257 Ca 0.24 1.37 -0.04 0.00 0.47 0.00 0.00 55.06 57.10 2h5i s HIS 257 Cb 0.15 -2.58 0.00 0.00 -0.13 0.00 0.00 32.58 30.03 2h5i s HIS 257 CO 0.22 0.47 0.55 0.00 -2.47 0.00 0.00 174.74 173.52 2h5i n ALA 258 N 1.27 -0.76 -2.88 1.58 0.00 -0.73 -4.97 120.51 114.02 2h5i n ALA 258 Ca -0.06 0.23 -0.22 0.00 0.00 0.00 0.00 53.44 53.39 2h5i n ALA 258 Cb 0.50 -3.27 -0.02 0.00 0.00 0.00 0.00 19.45 16.67 2h5i n ALA 258 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2h5i s LYS 259 N -5.52 3.45 0.36 0.00 -0.14 -1.26 -4.77 119.74 111.86 2h5i s LYS 259 Ca 0.27 -0.64 0.05 0.00 -1.36 0.00 0.00 55.97 54.29 2h5i s LYS 259 Cb -0.12 -2.82 -0.07 0.00 -1.68 0.00 0.00 37.83 33.14 2h5i s LYS 259 CO 0.34 0.35 0.04 0.15 -0.76 0.00 0.00 175.35 175.47 2h5i s LYS 260 N -4.08 1.78 -0.08 1.68 -0.14 -1.26 -1.70 119.74 115.95 2h5i s LYS 260 Ca 0.36 -2.00 -0.09 0.00 -1.36 0.00 0.00 55.97 52.87 2h5i s LYS 260 Cb -0.09 -1.15 0.02 0.00 -1.68 0.00 0.00 37.83 34.93 2h5i s LYS 260 CO 0.31 -0.15 0.25 -1.14 -0.76 0.00 0.00 175.35 173.85 2h5i s GLN 261 N -3.82 0.35 -0.09 1.68 0.74 -1.26 -5.05 119.66 112.21 2h5i s GLN 261 Ca 0.35 0.21 0.01 0.00 0.05 0.00 0.00 55.36 55.98 2h5i s GLN 261 Cb 0.09 0.16 0.02 0.00 1.10 0.00 0.00 33.01 34.38 2h5i s GLN 261 CO 0.16 -0.06 -0.09 -1.50 -0.55 0.00 0.00 175.29 173.25 2h5i s ILE 262 N -0.18 1.04 1.04 -2.34 1.10 -1.26 -3.69 121.20 116.90 2h5i s ILE 262 Ca -0.03 -0.36 -0.15 0.00 -0.51 0.00 0.00 60.65 59.60 2h5i s ILE 262 Cb -0.03 -1.00 0.21 0.00 0.15 0.00 0.00 42.46 41.79 2h5i s ILE 262 CO 0.01 0.35 1.13 -2.84 -2.11 0.00 0.00 174.94 171.48 2h5i s PRO 263 N 1.16 0.12 -0.17 3.50 0.02 -1.24 -2.35 135.00 136.04 2h5i s PRO 263 Ca -0.05 0.21 -0.04 0.00 0.02 0.00 0.00 61.00 61.13 2h5i s PRO 263 Cb -0.14 -1.73 0.06 0.00 0.02 0.00 0.00 34.50 32.71 2h5i s PRO 263 CO -0.02 -2.87 0.07 0.00 -0.33 0.00 0.00 177.00 173.85 2h5i s ILE 265 N 2.06 5.04 -0.28 0.00 1.01 -1.26 -1.88 121.20 125.90 2h5i s ILE 265 Ca 0.01 1.09 0.03 0.00 0.00 0.00 0.00 60.65 61.79 2h5i s ILE 265 Cb -0.16 -3.91 0.07 0.00 0.01 0.00 0.00 42.46 38.47 2h5i s ILE 265 CO -0.08 0.11 -0.08 -0.69 0.00 0.00 0.00 174.94 174.20 2h5i s VAL 266 N 1.96 2.24 -0.17 2.92 1.01 -0.15 -5.03 120.40 123.18 2h5i s VAL 266 Ca 0.26 -1.74 -0.01 0.00 0.00 0.00 0.00 61.98 60.49 2h5i s VAL 266 Cb -0.16 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 2h5i s VAL 266 CO 0.10 -0.13 -0.11 -0.55 0.00 0.00 0.00 175.10 174.41 2h5i s SER 267 N 1.08 4.02 -0.21 3.32 0.15 -1.26 -1.22 113.70 119.58 2h5i s SER 267 Ca -0.06 -0.39 0.15 0.00 0.70 0.00 0.00 55.95 56.35 2h5i s SER 267 Cb -0.20 -1.64 0.53 0.00 -1.71 0.00 0.00 66.02 63.00 2h5i s SER 267 CO -0.05 0.08 1.45 0.23 1.20 0.00 0.00 173.24 176.15 2h5i n MET 268 N 4.12 2.69 -2.17 5.44 2.81 -0.16 -5.05 117.12 124.80 2h5i n MET 268 Ca -0.18 -2.93 -0.34 0.00 -1.81 0.00 0.00 57.70 52.44 2h5i n MET 268 Cb 0.52 -1.86 0.00 0.00 -0.71 0.00 0.00 33.22 31.17 2h5i n MET 268 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2h5i s LEU 269 N -2.94 3.63 0.00 4.03 1.43 -1.20 -1.38 118.68 122.24 2h5i s LEU 269 Ca 0.43 1.95 0.06 0.00 -1.03 0.00 0.00 54.13 55.55 2h5i s LEU 269 Cb 0.36 -4.55 0.06 0.00 0.03 0.00 0.00 46.19 42.09 2h5i s LEU 269 CO 0.07 -1.15 0.76 0.35 0.23 0.00 0.00 176.35 176.60 2h5i n THR 270 N -1.66 0.16 -4.00 5.49 -2.24 -1.26 -4.86 114.28 105.91 2h5i n THR 270 Ca 0.10 -0.58 -0.09 0.00 -2.27 0.00 0.00 64.05 61.21 2h5i n THR 270 Cb 0.52 1.02 -0.08 0.00 -2.10 0.00 0.00 70.33 69.69 2h5i n THR 270 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2h5i s LYS 271 N -0.57 0.97 0.43 -0.78 1.02 -1.26 -5.16 119.74 114.41 2h5i s LYS 271 Ca 0.08 -1.20 -0.25 0.00 0.02 0.00 0.00 55.97 54.62 2h5i s LYS 271 Cb 0.05 0.32 -0.08 0.00 -0.52 0.00 0.00 37.83 37.60 2h5i s LYS 271 CO 0.07 -0.32 1.27 -1.21 -0.92 0.00 0.00 175.35 174.25 2h5i s GLU 272 N -3.96 3.82 -0.23 1.68 2.02 -1.26 -5.06 118.70 115.72 2h5i s GLU 272 Ca 0.15 2.07 -0.00 0.00 0.02 0.00 0.00 54.97 57.21 2h5i s GLU 272 Cb 0.05 -2.61 0.03 0.00 0.10 0.00 0.00 34.13 31.69 2h5i s GLU 272 CO -0.03 -0.58 -0.11 -1.17 0.02 0.00 0.00 175.26 173.39 2h5i s LEU 273 N -2.70 2.90 -0.05 1.80 0.20 -1.26 -5.07 118.68 114.50 2h5i s LEU 273 Ca 0.60 -0.87 0.05 0.00 0.69 0.00 0.00 54.13 54.61 2h5i s LEU 273 Cb -0.36 -1.59 -0.02 0.00 -0.43 0.00 0.00 46.19 43.79 2h5i s LEU 273 CO 0.45 -0.09 -0.20 -0.31 -0.29 0.00 0.00 176.35 175.91 2h5i s TYR 274 N 1.29 2.54 -0.79 5.38 2.02 -1.26 -1.52 117.35 125.01 2h5i s TYR 274 Ca 0.00 -0.42 0.27 0.00 -0.37 0.00 0.00 57.07 56.55 2h5i s TYR 274 Cb -0.16 -1.60 0.86 0.00 -0.40 0.00 0.00 41.96 40.66 2h5i s TYR 274 CO -0.07 -0.01 1.77 1.19 -1.57 0.00 0.00 175.55 176.86 2h5i n PHE 275 N 2.61 0.70 -3.42 2.71 3.72 -1.26 -4.86 117.46 117.66 2h5i n PHE 275 Ca -0.17 0.20 -0.20 0.00 -0.05 0.00 0.00 57.45 57.24 2h5i n PHE 275 Cb 0.52 -0.82 -0.02 0.00 -0.94 0.00 0.00 39.48 38.22 2h5i n PHE 275 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 2h5i s TYR 276 N -3.08 2.78 0.34 1.38 -0.85 -1.26 -5.09 117.35 111.57 2h5i s TYR 276 Ca 0.11 -0.43 0.05 0.00 -0.52 0.00 0.00 57.07 56.28 2h5i s TYR 276 Cb 0.14 -2.18 -0.02 0.00 0.38 0.00 0.00 41.96 40.27 2h5i s TYR 276 CO 0.59 -0.17 0.33 -3.38 -1.52 0.00 0.00 175.55 171.40 2h5i s HIS 277 N -2.40 1.60 -2.19 -3.49 -3.43 -1.26 -5.18 115.29 98.94 2h5i s HIS 277 Ca 0.49 -1.58 0.30 0.00 -0.80 0.00 0.00 55.06 53.48 2h5i s HIS 277 Cb -0.06 -0.56 1.59 0.00 -1.43 0.00 0.00 32.58 32.12 2h5i s HIS 277 CO 0.29 -0.94 2.05 0.72 -2.00 0.00 0.00 174.74 174.86