#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dko s SER 176 N 0.00 -0.57 0.08 0.00 1.04 -1.26 -5.18 113.70 107.81 2dko s SER 176 Ca 0.00 0.93 -0.05 0.00 0.48 0.00 0.00 55.95 57.31 2dko s SER 176 Cb 0.00 0.89 0.02 0.00 0.10 0.00 0.00 66.02 67.03 2dko s SER 176 CO 0.00 -0.31 0.26 0.61 0.98 0.00 0.00 173.24 174.78 2dko n GLY 177 N 1.83 1.38 0.05 7.32 0.00 -1.26 -5.05 105.19 109.45 2dko n GLY 177 Ca -0.14 -1.03 0.12 0.00 0.00 0.00 0.00 46.02 44.97 2dko n GLY 177 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2dko n VAL 178 N -0.18 0.27 -0.39 1.61 0.24 -1.26 -4.33 118.33 114.30 2dko n VAL 178 Ca -0.01 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 2dko n VAL 178 Cb 0.17 -0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.49 2dko n VAL 178 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2dko n ASP 179 N -1.99 1.25 -4.45 -1.34 5.68 -1.26 -5.03 116.55 109.41 2dko n ASP 179 Ca 0.04 -1.63 -0.21 0.00 -0.50 0.00 0.00 54.79 52.48 2dko n ASP 179 Cb 0.42 -0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.29 2dko n ASP 179 CO 0.00 0.00 0.00 1.51 -1.33 0.00 0.00 177.20 177.38 2dko s ASP 180 N -0.64 2.37 -1.25 -1.12 3.84 -1.26 -4.90 116.67 113.72 2dko s ASP 180 Ca 0.00 -1.37 -0.00 0.00 -0.00 0.00 0.00 52.55 51.18 2dko s ASP 180 Cb 0.00 -0.09 0.00 0.00 -1.38 0.00 0.00 42.92 41.46 2dko s ASP 180 CO 0.00 -0.60 0.88 -0.67 -0.00 0.00 0.00 175.17 174.78 2dko n ASP 181 N -0.68 -1.75 -4.75 2.11 2.03 -1.26 -4.89 116.55 107.35 2dko n ASP 181 Ca -0.02 -0.70 -0.37 0.00 0.52 0.00 0.00 54.79 54.22 2dko n ASP 181 Cb 0.66 -4.69 0.04 0.00 -0.72 0.00 0.00 41.12 36.41 2dko n ASP 181 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2dko s MET 182 N -5.63 2.90 0.20 -0.67 -1.94 -1.26 -4.93 119.30 107.97 2dko s MET 182 Ca 0.01 1.95 -0.05 0.00 -1.71 0.00 0.00 55.69 55.89 2dko s MET 182 Cb -0.01 -1.96 0.15 0.00 2.01 0.00 0.00 34.83 35.02 2dko s MET 182 CO 0.76 -1.29 1.60 0.00 -0.01 0.00 0.00 175.02 176.08 2dko h ALA 183 N 0.91 0.82 -3.05 3.03 0.00 -2.04 -3.41 119.26 115.52 2dko h ALA 183 Ca -0.51 -0.39 -0.66 0.00 0.00 0.00 0.00 54.91 53.36 2dko h ALA 183 Cb 1.31 -0.14 -0.27 0.00 0.00 0.00 0.00 17.79 18.69 2dko h ALA 183 CO 0.55 0.64 -0.71 0.00 0.00 0.00 0.00 179.25 179.73 2dko s HIS 185 N 1.30 3.34 0.18 0.00 2.46 -1.26 -5.03 115.29 116.27 2dko s HIS 185 Ca 0.04 1.34 0.09 0.00 0.47 0.00 0.00 55.06 56.99 2dko s HIS 185 Cb -0.14 -3.36 -0.04 0.00 -0.13 0.00 0.00 32.58 28.90 2dko s HIS 185 CO -0.01 -1.02 -0.18 0.15 -2.47 0.00 0.00 174.74 171.20 2dko s LYS 186 N 1.76 1.31 0.23 2.88 1.02 -1.26 -5.16 119.74 120.51 2dko s LYS 186 Ca 0.55 -1.45 0.12 0.00 0.02 0.00 0.00 55.97 55.21 2dko s LYS 186 Cb -0.25 -1.34 -0.05 0.00 -0.52 0.00 0.00 37.83 35.68 2dko s LYS 186 CO 0.24 0.27 -0.22 -1.50 -0.92 0.00 0.00 175.35 173.22 2dko s ILE 187 N -2.17 2.44 0.49 2.17 2.07 -1.26 -5.12 121.20 119.82 2dko s ILE 187 Ca 0.17 -2.17 -0.24 0.00 -1.41 0.00 0.00 60.65 57.01 2dko s ILE 187 Cb -0.05 -2.21 -0.07 0.00 0.13 0.00 0.00 42.46 40.26 2dko s ILE 187 CO 0.07 -0.23 1.36 -2.84 -1.91 0.00 0.00 174.94 171.39 2dko s PRO 188 N -3.01 3.49 0.57 3.50 0.02 -1.26 -4.90 135.00 133.41 2dko s PRO 188 Ca 0.25 2.25 0.35 0.00 0.02 0.00 0.00 61.00 63.87 2dko s PRO 188 Cb -0.07 -2.47 1.60 0.00 0.02 0.00 0.00 34.50 33.58 2dko s PRO 188 CO 0.12 -0.92 2.07 -0.39 -0.33 0.00 0.00 177.00 177.56 2dko h VAL 189 N 1.91 0.06 -0.01 3.83 -1.51 -2.04 -2.39 116.25 116.10 2dko h VAL 189 Ca -0.51 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 64.54 2dko h VAL 189 Cb 1.28 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 31.83 2dko h VAL 189 CO 0.59 0.02 -0.23 -0.62 -1.23 0.00 0.00 177.57 176.10 2dko n GLU 190 N -3.14 0.77 -1.53 5.19 -0.58 -1.26 -4.94 120.64 115.16 2dko n GLU 190 Ca -0.00 -0.42 -0.32 0.00 -0.42 0.00 0.00 57.16 56.00 2dko n GLU 190 Cb 0.25 -1.49 0.07 0.00 -0.57 0.00 0.00 31.44 29.70 2dko n GLU 190 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dko s ALA 191 N -2.52 2.40 -0.75 0.62 0.00 -0.90 -4.02 121.76 116.59 2dko s ALA 191 Ca 0.25 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.58 2dko s ALA 191 Cb 0.19 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 20.03 2dko s ALA 191 CO 0.52 -1.48 0.00 -0.25 0.00 0.00 0.00 175.76 174.55 2dko n ASP 192 N -2.96 -3.27 -4.76 0.00 8.00 0.10 -4.99 116.55 108.67 2dko n ASP 192 Ca 0.09 0.06 -0.33 0.00 0.71 0.00 0.00 54.79 55.33 2dko n ASP 192 Cb 0.53 -2.22 -0.07 0.00 -0.02 0.00 0.00 41.12 39.33 2dko n ASP 192 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2dko s PHE 193 N -2.37 3.23 -0.05 1.24 0.08 -1.25 -4.83 117.98 114.03 2dko s PHE 193 Ca 0.00 0.17 0.02 0.00 0.12 0.00 0.00 56.93 57.24 2dko s PHE 193 Cb 0.00 -1.72 0.01 0.00 -0.57 0.00 0.00 43.02 40.75 2dko s PHE 193 CO 0.00 0.53 -0.09 -1.17 -0.10 0.00 0.00 175.22 174.39 2dko s LEU 194 N -1.73 1.58 -0.24 -0.37 2.96 -1.26 -0.61 118.68 119.00 2dko s LEU 194 Ca 0.22 -0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 53.91 2dko s LEU 194 Cb -0.12 -0.62 0.02 0.00 0.50 0.00 0.00 46.19 45.97 2dko s LEU 194 CO 0.13 0.01 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.80 2dko s TYR 195 N 0.61 3.05 -0.70 5.38 1.51 0.31 -5.00 117.35 122.52 2dko s TYR 195 Ca -0.11 -1.53 -0.12 0.00 -1.01 0.00 0.00 57.07 54.30 2dko s TYR 195 Cb -0.13 -2.06 0.18 0.00 -0.11 0.00 0.00 41.96 39.84 2dko s TYR 195 CO 0.02 -0.72 0.61 0.00 -1.11 0.00 0.00 175.55 174.35 2dko s ALA 196 N 1.33 3.84 0.22 3.71 0.00 -1.26 -0.56 121.76 129.03 2dko s ALA 196 Ca 0.01 -3.06 -0.18 0.00 0.00 0.00 0.00 51.96 48.72 2dko s ALA 196 Cb -0.16 -3.25 -0.08 0.00 0.00 0.00 0.00 23.12 19.62 2dko s ALA 196 CO -0.05 -2.15 0.70 0.71 0.00 0.00 0.00 175.76 174.97 2dko s TYR 197 N 0.57 3.61 0.10 0.00 2.02 -0.43 -4.98 117.35 118.25 2dko s TYR 197 Ca 0.13 1.32 0.29 0.00 -0.37 0.00 0.00 57.07 58.45 2dko s TYR 197 Cb -0.18 -2.57 1.16 0.00 -0.40 0.00 0.00 41.96 39.97 2dko s TYR 197 CO -0.05 0.33 1.91 0.66 -1.57 0.00 0.00 175.55 176.83 2dko h SER 198 N 3.32 0.00 -5.15 2.29 4.64 -1.93 -0.96 113.55 115.76 2dko h SER 198 Ca -0.48 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.77 2dko h SER 198 Cb 1.19 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.16 2dko h SER 198 CO 0.65 0.09 -0.19 0.28 -0.87 0.00 0.00 176.83 176.79 2dko s THR 199 N -3.66 0.08 0.67 2.95 -1.32 -1.26 -3.59 115.64 109.52 2dko s THR 199 Ca 0.01 -0.98 -0.15 0.00 -1.21 0.00 0.00 61.69 59.36 2dko s THR 199 Cb 0.09 -1.46 0.01 0.00 -1.51 0.00 0.00 72.50 69.63 2dko s THR 199 CO 0.59 -0.35 1.14 0.00 -2.21 0.00 0.00 174.62 173.78 2dko s ALA 200 N -3.87 2.38 0.23 11.08 0.00 -0.75 -4.17 121.76 126.66 2dko s ALA 200 Ca 0.08 0.65 -0.32 0.00 0.00 0.00 0.00 51.96 52.37 2dko s ALA 200 Cb 0.02 -3.36 -0.14 0.00 0.00 0.00 0.00 23.12 19.65 2dko s ALA 200 CO -0.07 -1.42 1.40 -2.30 0.00 0.00 0.00 175.76 173.37 2dko n PRO 201 N -2.46 1.98 -0.10 0.00 -0.02 -1.26 -2.05 135.00 131.08 2dko n PRO 201 Ca 0.11 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 2dko n PRO 201 Cb 0.51 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 2dko n PRO 201 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dko n GLY 202 N 2.24 1.59 3.80 -1.23 0.00 -1.26 -5.04 105.19 105.29 2dko n GLY 202 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 2dko n GLY 202 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dko s TYR 203 N -2.69 3.19 0.92 1.61 1.51 -0.87 -5.10 117.35 115.91 2dko s TYR 203 Ca 0.00 0.05 -0.10 0.00 -1.01 0.00 0.00 57.07 56.00 2dko s TYR 203 Cb 0.00 -1.58 0.14 0.00 -0.11 0.00 0.00 41.96 40.41 2dko s TYR 203 CO 0.00 0.52 1.09 0.66 -1.11 0.00 0.00 175.55 176.72 2dko n TYR 204 N 0.08 0.70 -5.07 2.71 4.02 -1.26 -4.83 117.16 113.51 2dko n TYR 204 Ca -0.08 0.39 -0.30 0.00 -0.01 0.00 0.00 57.90 57.90 2dko n TYR 204 Cb 0.53 -1.99 -0.15 0.00 -0.02 0.00 0.00 39.34 37.71 2dko n TYR 204 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2dko s SER 205 N -2.56 2.95 -0.04 7.72 0.15 -1.26 -4.83 113.70 115.83 2dko s SER 205 Ca 0.67 -0.50 -0.02 0.00 0.70 0.00 0.00 55.95 56.80 2dko s SER 205 Cb -0.23 -0.30 -0.04 0.00 -1.71 0.00 0.00 66.02 63.74 2dko s SER 205 CO 0.58 0.28 0.08 0.26 1.20 0.00 0.00 173.24 175.64 2dko s TRP 206 N -0.68 3.33 -0.02 3.44 0.52 -1.26 -5.10 118.94 119.17 2dko s TRP 206 Ca 0.10 0.27 0.01 0.00 0.02 0.00 0.00 56.10 56.49 2dko s TRP 206 Cb -0.10 -1.78 0.02 0.00 -1.15 0.00 0.00 33.47 30.46 2dko s TRP 206 CO 0.00 0.57 -0.02 0.50 0.02 0.00 0.00 176.95 178.03 2dko s ARG 207 N -1.50 0.38 -0.20 4.98 3.52 -1.26 -2.59 118.95 122.29 2dko s ARG 207 Ca 0.20 -0.01 -0.18 0.00 -0.13 0.00 0.00 55.73 55.61 2dko s ARG 207 Cb -0.12 -0.48 -0.03 0.00 -1.56 0.00 0.00 34.95 32.76 2dko s ARG 207 CO 0.11 -0.07 0.49 1.21 -0.81 0.00 0.00 175.30 176.23 2dko s ASN 208 N 0.69 6.53 0.53 -2.12 3.84 -0.38 -4.92 114.94 119.11 2dko s ASN 208 Ca -0.07 0.64 0.35 0.00 0.21 0.00 0.00 52.86 53.99 2dko s ASN 208 Cb -0.10 -2.28 1.70 0.00 -0.55 0.00 0.00 41.25 40.01 2dko s ASN 208 CO -0.01 -0.15 2.05 0.77 -2.79 0.00 0.00 177.10 176.98 2dko h SER 209 N 7.42 0.00 0.00 -4.21 4.64 -2.01 0.27 113.55 119.66 2dko h SER 209 Ca -0.35 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.60 2dko h SER 209 Cb 1.16 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.19 2dko h SER 209 CO 0.73 0.00 -2.31 0.29 -0.87 0.00 0.00 176.83 174.67 2dko n LYS 210 N -2.87 0.52 0.00 4.77 4.01 -1.26 -4.75 118.16 118.59 2dko n LYS 210 Ca -0.01 0.19 0.11 0.00 -0.51 0.00 0.00 58.31 58.09 2dko n LYS 210 Cb 0.17 -1.38 -0.01 0.00 -0.51 0.00 0.00 35.03 33.30 2dko n LYS 210 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2dko n ASP 211 N -3.75 1.21 0.00 4.39 8.00 -1.14 -5.09 116.55 120.18 2dko n ASP 211 Ca -0.44 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.02 2dko n ASP 211 Cb 0.86 0.72 0.00 0.00 -0.02 0.00 0.00 41.12 42.68 2dko n ASP 211 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dko n GLY 212 N 1.47 0.39 3.77 0.44 0.00 0.07 -4.89 105.19 106.44 2dko n GLY 212 Ca 0.06 -2.07 -0.37 0.00 0.00 0.00 0.00 46.02 43.64 2dko n GLY 212 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dko s SER 213 N -0.15 6.14 0.21 1.61 1.04 -1.26 -1.25 113.70 120.04 2dko s SER 213 Ca 0.00 2.34 -0.10 0.00 0.48 0.00 0.00 55.95 58.67 2dko s SER 213 Cb 0.00 -2.61 0.20 0.00 0.10 0.00 0.00 66.02 63.71 2dko s SER 213 CO 0.00 -0.94 1.84 -0.50 0.98 0.00 0.00 173.24 174.62 2dko h TRP 214 N 2.06 0.80 0.06 5.02 6.55 -1.87 -1.45 115.95 127.12 2dko h TRP 214 Ca -0.49 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 59.37 2dko h TRP 214 Cb 1.25 -0.26 0.00 0.00 -0.86 0.00 0.00 29.16 29.29 2dko h TRP 214 CO 0.53 0.44 -0.03 0.35 -1.05 0.00 0.00 178.44 178.68 2dko h PHE 215 N 0.83 -0.08 -0.59 0.49 3.57 -1.89 -1.92 116.94 117.35 2dko h PHE 215 Ca 0.28 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.69 2dko h PHE 215 Cb 0.05 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 2dko h PHE 215 CO -0.05 0.27 -0.00 0.82 -2.23 0.00 0.00 178.31 177.12 2dko h ILE 216 N -0.44 1.27 -0.57 1.41 1.08 -1.93 0.16 117.51 118.49 2dko h ILE 216 Ca -0.01 -1.15 0.05 0.00 -0.39 0.00 0.00 64.86 63.36 2dko h ILE 216 Cb 0.38 0.84 -0.05 0.00 -3.07 0.00 0.00 36.82 34.92 2dko h ILE 216 CO 0.01 0.41 0.31 1.56 -0.69 0.00 0.00 178.15 179.75 2dko h GLN 217 N 0.93 0.57 -0.37 2.37 1.08 -1.30 -0.70 115.11 117.69 2dko h GLN 217 Ca 0.17 -0.03 -0.15 0.00 -1.45 0.00 0.00 58.65 57.18 2dko h GLN 217 Cb 0.56 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 2dko h GLN 217 CO 0.03 0.38 -0.36 1.03 -0.95 0.00 0.00 178.83 178.95 2dko h SER 218 N 0.59 0.93 -0.11 1.46 0.87 -0.93 -2.28 113.55 114.08 2dko h SER 218 Ca 0.25 -0.41 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 2dko h SER 218 Cb 0.14 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 2dko h SER 218 CO -0.16 1.19 0.07 0.25 -0.53 0.00 0.00 176.83 177.65 2dko h LEU 219 N 0.72 0.13 -0.76 2.23 5.85 -0.41 -1.14 115.31 121.93 2dko h LEU 219 Ca 0.06 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 2dko h LEU 219 Cb 0.94 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 2dko h LEU 219 CO 0.09 0.11 0.21 0.00 -0.34 0.00 0.00 178.44 178.51 2dko h ALA 221 N 1.13 0.83 -0.07 0.00 0.00 -1.17 -0.47 119.26 119.51 2dko h ALA 221 Ca 0.23 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 2dko h ALA 221 Cb 0.33 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2dko h ALA 221 CO -0.00 0.43 -0.79 0.52 0.00 0.00 0.00 179.25 179.41 2dko h MET 222 N 0.89 0.47 -0.54 0.00 2.07 -0.96 -1.74 114.93 115.12 2dko h MET 222 Ca 0.21 -0.41 -0.09 0.00 -2.07 0.00 0.00 59.70 57.35 2dko h MET 222 Cb 0.19 0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 29.99 2dko h MET 222 CO -0.02 1.05 0.00 -0.07 1.07 0.00 0.00 176.91 178.94 2dko h LEU 223 N 0.31 0.94 -0.75 1.22 3.38 -0.84 0.59 115.31 120.15 2dko h LEU 223 Ca -0.05 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.67 2dko h LEU 223 Cb 1.39 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 2dko h LEU 223 CO 0.14 1.01 0.45 0.50 0.09 0.00 0.00 178.44 180.64 2dko h LYS 224 N 0.83 0.82 0.05 1.13 3.64 -0.92 -0.95 116.57 121.18 2dko h LYS 224 Ca 0.15 -0.05 -0.26 0.00 -1.27 0.00 0.00 60.65 59.23 2dko h LYS 224 Cb 0.53 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2dko h LYS 224 CO 0.03 0.54 -1.08 0.37 -2.27 0.00 0.00 179.45 177.04 2dko h GLN 225 N 0.85 0.47 0.00 1.90 4.15 -1.13 -3.41 115.11 117.94 2dko h GLN 225 Ca 0.32 -0.58 0.00 0.00 0.77 0.00 0.00 58.65 59.17 2dko h GLN 225 Cb 0.13 0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.00 2dko h GLN 225 CO -0.16 1.22 0.00 0.66 -1.93 0.00 0.00 178.83 178.62 2dko n TYR 226 N -3.73 0.00 0.29 3.99 4.01 0.18 -4.73 117.16 117.17 2dko n TYR 226 Ca -0.09 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.81 2dko n TYR 226 Cb 0.91 0.00 0.91 0.00 -0.31 0.00 0.00 39.34 40.85 2dko n TYR 226 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2dko h ALA 227 N 0.00 1.26 -0.39 -0.72 0.00 -1.30 -0.12 119.26 117.99 2dko h ALA 227 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2dko h ALA 227 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2dko h ALA 227 CO 0.00 0.05 0.00 -0.40 0.00 0.00 0.00 179.25 178.90 2dko n ASP 228 N -3.52 2.36 0.00 0.00 5.68 -1.26 -4.26 116.55 115.56 2dko n ASP 228 Ca -0.02 -2.08 0.00 0.00 -0.50 0.00 0.00 54.79 52.19 2dko n ASP 228 Cb 0.15 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 39.81 2dko n ASP 228 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2dko n LYS 229 N 0.62 0.75 -4.17 0.11 5.02 -0.18 -5.00 118.16 115.31 2dko n LYS 229 Ca 0.14 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.25 2dko n LYS 229 Cb 0.40 -0.49 -0.12 0.00 -0.02 0.00 0.00 35.03 34.80 2dko n LYS 229 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2dko s LEU 230 N -0.87 2.29 0.59 -0.35 1.43 -0.49 -5.11 118.68 116.17 2dko s LEU 230 Ca 0.00 -0.63 -0.18 0.00 -1.03 0.00 0.00 54.13 52.28 2dko s LEU 230 Cb 0.00 -0.49 -0.03 0.00 0.03 0.00 0.00 46.19 45.70 2dko s LEU 230 CO 0.00 -0.10 1.17 -0.70 0.23 0.00 0.00 176.35 176.95 2dko s GLU 231 N -1.84 3.02 0.27 1.70 -6.30 -1.26 -4.76 118.70 109.53 2dko s GLU 231 Ca -0.01 1.70 -0.04 0.00 -2.50 0.00 0.00 54.97 54.12 2dko s GLU 231 Cb -0.09 -1.95 0.34 0.00 0.00 0.00 0.00 34.13 32.42 2dko s GLU 231 CO 0.02 -1.14 1.88 0.35 0.02 0.00 0.00 175.26 176.40 2dko h PHE 232 N 0.81 1.08 -0.50 5.30 3.57 -1.38 -0.39 116.94 125.42 2dko h PHE 232 Ca -0.50 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 60.95 2dko h PHE 232 Cb 1.28 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 2dko h PHE 232 CO 0.49 0.76 0.22 0.52 -2.23 0.00 0.00 178.31 178.07 2dko h MET 233 N 1.09 0.71 -0.29 1.11 2.86 -1.92 -0.25 114.93 118.24 2dko h MET 233 Ca 0.27 -0.09 -0.13 0.00 -2.06 0.00 0.00 59.70 57.69 2dko h MET 233 Cb 0.06 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 2dko h MET 233 CO -0.04 0.57 -0.37 0.45 1.06 0.00 0.00 176.91 178.58 2dko h HIS 234 N 0.71 0.77 -0.36 -0.22 3.86 -1.48 -0.99 115.15 117.45 2dko h HIS 234 Ca 0.18 -0.22 -0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2dko h HIS 234 Cb 0.11 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 2dko h HIS 234 CO 0.01 0.93 0.22 0.82 0.86 0.00 0.00 177.93 180.77 2dko h ILE 235 N 0.55 1.11 -0.12 2.45 2.04 -0.62 -2.38 117.51 120.54 2dko h ILE 235 Ca 0.05 -0.25 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 2dko h ILE 235 Cb 0.88 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 2dko h ILE 235 CO 0.08 0.11 -0.19 -0.07 0.00 0.00 0.00 178.15 178.08 2dko h LEU 236 N 0.47 0.19 -0.73 1.44 3.38 -0.86 -0.88 115.31 118.32 2dko h LEU 236 Ca 0.13 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 2dko h LEU 236 Cb -0.01 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2dko h LEU 236 CO -0.03 0.39 0.06 0.74 0.09 0.00 0.00 178.44 179.70 2dko h THR 237 N 0.18 1.26 -0.41 0.22 2.02 -0.94 -0.32 112.91 114.92 2dko h THR 237 Ca 0.03 -1.06 -0.07 0.00 0.77 0.00 0.00 66.41 66.09 2dko h THR 237 Cb 0.45 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 2dko h THR 237 CO 0.03 0.39 -0.02 0.03 0.37 0.00 0.00 175.52 176.32 2dko h ARG 238 N 0.96 0.68 -0.28 6.66 2.47 -0.78 -1.13 114.38 122.96 2dko h ARG 238 Ca 0.19 -0.17 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 2dko h ARG 238 Cb 0.47 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.70 2dko h ARG 238 CO 0.02 0.71 0.14 0.28 0.56 0.00 0.00 179.97 181.67 2dko h VAL 239 N 0.63 1.15 -0.51 2.04 2.07 -0.72 -0.53 116.25 120.39 2dko h VAL 239 Ca 0.13 -0.44 0.09 0.00 0.82 0.00 0.00 66.70 67.30 2dko h VAL 239 Cb 0.43 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 31.05 2dko h VAL 239 CO 0.02 0.15 0.10 0.78 0.02 0.00 0.00 177.57 178.64 2dko h ASN 240 N 0.32 -0.01 -0.58 0.57 4.21 -0.64 -0.64 115.58 118.81 2dko h ASN 240 Ca 0.10 0.09 -0.03 0.00 1.21 0.00 0.00 56.30 57.67 2dko h ASN 240 Cb 0.12 0.13 -0.03 0.00 -1.12 0.00 0.00 38.32 37.43 2dko h ASN 240 CO -0.01 0.02 0.26 -0.09 -1.29 0.00 0.00 177.43 176.32 2dko h ARG 241 N 0.23 0.85 -0.14 0.81 2.43 -0.92 -0.85 114.38 116.79 2dko h ARG 241 Ca 0.25 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2dko h ARG 241 Cb 0.35 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2dko h ARG 241 CO -0.34 0.70 0.06 -0.22 -1.51 0.00 0.00 179.97 178.67 2dko h LYS 242 N 0.79 0.20 -0.42 0.20 3.64 -0.64 -0.49 116.57 119.85 2dko h LYS 242 Ca 0.20 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 2dko h LYS 242 Cb 0.15 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2dko h LYS 242 CO -0.02 0.27 0.16 0.28 -2.27 0.00 0.00 179.45 177.87 2dko h VAL 243 N 0.09 1.20 -0.49 2.00 2.07 -1.02 -0.84 116.25 119.25 2dko h VAL 243 Ca 0.05 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 2dko h VAL 243 Cb 0.14 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 2dko h VAL 243 CO -0.01 0.23 0.07 0.00 0.02 0.00 0.00 177.57 177.89 2dko h ALA 244 N 1.01 1.21 0.02 1.67 0.00 -0.98 -3.25 119.26 118.94 2dko h ALA 244 Ca 0.14 -0.22 -0.35 0.00 0.00 0.00 0.00 54.91 54.48 2dko h ALA 244 Cb 0.20 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2dko h ALA 244 CO -0.01 0.53 -2.13 0.25 0.00 0.00 0.00 179.25 177.89 2dko n THR 245 N -4.26 1.54 0.06 0.00 -2.24 -0.21 -4.63 114.28 104.54 2dko n THR 245 Ca 0.03 -0.76 0.10 0.00 -2.27 0.00 0.00 64.05 61.15 2dko n THR 245 Cb 0.25 -1.01 -0.07 0.00 -2.10 0.00 0.00 70.33 67.40 2dko n THR 245 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2dko n GLU 246 N -3.05 0.63 -4.64 -0.78 1.02 -0.33 -4.93 120.64 108.56 2dko n GLU 246 Ca -0.30 0.03 -0.32 0.00 -0.02 0.00 0.00 57.16 56.55 2dko n GLU 246 Cb 1.08 -1.72 -0.12 0.00 -0.02 0.00 0.00 31.44 30.66 2dko n GLU 246 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2dko s PHE 247 N -3.35 2.71 -0.18 -0.32 0.08 -1.23 -5.08 117.98 110.61 2dko s PHE 247 Ca -0.03 -0.16 -0.14 0.00 0.12 0.00 0.00 56.93 56.72 2dko s PHE 247 Cb 0.11 -1.55 0.05 0.00 -0.57 0.00 0.00 43.02 41.06 2dko s PHE 247 CO 0.83 0.28 0.46 -2.00 -0.10 0.00 0.00 175.22 174.69 2dko s GLU 248 N -1.28 0.51 0.60 0.44 2.12 -1.26 -4.70 118.70 115.13 2dko s GLU 248 Ca 0.15 0.72 -0.17 0.00 0.36 0.00 0.00 54.97 56.04 2dko s GLU 248 Cb -0.11 0.17 -0.03 0.00 0.26 0.00 0.00 34.13 34.42 2dko s GLU 248 CO 0.05 -0.10 1.09 -1.54 -0.54 0.00 0.00 175.26 174.22 2dko s SER 249 N 0.68 5.57 -0.11 -1.70 1.04 0.22 -4.84 113.70 114.56 2dko s SER 249 Ca -0.04 1.96 0.03 0.00 0.48 0.00 0.00 55.95 58.39 2dko s SER 249 Cb -0.05 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2dko s SER 249 CO -0.05 -1.31 -0.23 0.12 0.98 0.00 0.00 173.24 172.76 2dko s PHE 250 N -2.24 2.54 -0.13 5.02 5.36 -1.26 -1.23 117.98 126.04 2dko s PHE 250 Ca 0.67 -1.14 -0.12 0.00 -0.96 0.00 0.00 56.93 55.38 2dko s PHE 250 Cb -0.19 -1.72 0.03 0.00 -0.34 0.00 0.00 43.02 40.81 2dko s PHE 250 CO 0.35 -0.49 0.35 -1.12 -1.46 0.00 0.00 175.22 172.85 2dko s SER 251 N 0.55 -0.36 0.51 6.13 0.01 -1.26 -4.93 113.70 114.35 2dko s SER 251 Ca -0.14 0.68 0.32 0.00 1.31 0.00 0.00 55.95 58.12 2dko s SER 251 Cb -0.17 0.69 1.36 0.00 0.21 0.00 0.00 66.02 68.11 2dko s SER 251 CO 0.04 -0.13 1.96 -0.26 0.41 0.00 0.00 173.24 175.26 2dko h PHE 252 N 5.53 0.00 -3.55 2.43 0.05 -2.00 -3.41 116.94 115.98 2dko h PHE 252 Ca -0.27 0.00 -0.63 0.00 3.82 0.00 0.00 57.97 60.90 2dko h PHE 252 Cb 1.19 0.00 -0.13 0.00 2.00 0.00 0.00 35.95 39.01 2dko h PHE 252 CO 0.41 0.00 0.14 0.34 -0.18 0.00 0.00 178.31 179.02 2dko s ASP 253 N -5.41 6.45 0.50 2.17 -1.08 -1.26 -4.95 116.67 113.09 2dko s ASP 253 Ca 0.01 0.25 0.23 0.00 -0.52 0.00 0.00 52.55 52.53 2dko s ASP 253 Cb 0.09 -2.33 1.31 0.00 -1.46 0.00 0.00 42.92 40.53 2dko s ASP 253 CO 0.51 -0.55 1.96 0.00 0.52 0.00 0.00 175.17 177.62 2dko h ALA 254 N 8.35 2.43 -0.52 3.66 0.00 -1.95 -0.61 119.26 130.61 2dko h ALA 254 Ca -0.27 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.67 2dko h ALA 254 Cb 1.11 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2dko h ALA 254 CO 0.82 -0.61 0.35 1.15 0.00 0.00 0.00 179.25 180.96 2dko h THR 255 N 0.12 1.03 -0.14 0.00 2.02 -1.94 -2.90 112.91 111.10 2dko h THR 255 Ca 0.31 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.29 2dko h THR 255 Cb 1.04 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2dko h THR 255 CO -0.04 0.10 0.00 0.49 0.37 0.00 0.00 175.52 176.45 2dko n PHE 256 N -4.47 0.16 -3.32 3.16 3.01 -0.27 -4.99 117.46 110.72 2dko n PHE 256 Ca 0.06 -0.10 -0.35 0.00 1.01 0.00 0.00 57.45 58.07 2dko n PHE 256 Cb 0.17 -0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.58 2dko n PHE 256 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 2dko s HIS 257 N -1.43 3.61 -1.02 1.38 2.46 -0.98 -4.35 115.29 114.96 2dko s HIS 257 Ca 0.25 1.10 -0.04 0.00 0.47 0.00 0.00 55.06 56.84 2dko s HIS 257 Cb 0.16 -2.40 0.00 0.00 -0.13 0.00 0.00 32.58 30.22 2dko s HIS 257 CO 0.24 0.41 0.55 0.00 -2.47 0.00 0.00 174.74 173.47 2dko n ALA 258 N 0.77 -0.74 -2.83 1.58 0.00 -0.36 -4.96 120.51 113.97 2dko n ALA 258 Ca -0.05 0.23 -0.21 0.00 0.00 0.00 0.00 53.44 53.41 2dko n ALA 258 Cb 0.52 -3.21 -0.03 0.00 0.00 0.00 0.00 19.45 16.73 2dko n ALA 258 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2dko s LYS 259 N -5.52 3.20 0.37 0.00 -0.14 -1.26 -4.73 119.74 111.65 2dko s LYS 259 Ca 0.27 -0.92 0.07 0.00 -1.36 0.00 0.00 55.97 54.04 2dko s LYS 259 Cb -0.12 -2.75 -0.07 0.00 -1.68 0.00 0.00 37.83 33.20 2dko s LYS 259 CO 0.34 0.35 -0.02 0.15 -0.76 0.00 0.00 175.35 175.41 2dko s LYS 260 N -3.96 1.83 -0.09 1.68 -0.14 -1.26 -0.61 119.74 117.18 2dko s LYS 260 Ca 0.36 -2.00 -0.08 0.00 -1.36 0.00 0.00 55.97 52.88 2dko s LYS 260 Cb -0.08 -1.50 0.03 0.00 -1.68 0.00 0.00 37.83 34.60 2dko s LYS 260 CO 0.28 -0.01 0.25 -1.14 -0.76 0.00 0.00 175.35 173.97 2dko s GLN 261 N -3.71 0.28 -0.12 1.68 0.74 -1.26 -5.03 119.66 112.24 2dko s GLN 261 Ca 0.34 0.37 0.02 0.00 0.05 0.00 0.00 55.36 56.14 2dko s GLN 261 Cb 0.07 0.11 0.01 0.00 1.10 0.00 0.00 33.01 34.31 2dko s GLN 261 CO 0.17 -0.05 -0.18 -1.50 -0.55 0.00 0.00 175.29 173.18 2dko s ILE 262 N 0.26 1.68 1.07 -2.34 1.10 -1.26 -3.50 121.20 118.22 2dko s ILE 262 Ca -0.01 -0.75 -0.15 0.00 -0.51 0.00 0.00 60.65 59.23 2dko s ILE 262 Cb -0.03 -1.52 0.23 0.00 0.15 0.00 0.00 42.46 41.29 2dko s ILE 262 CO -0.01 0.48 1.10 -2.84 -2.11 0.00 0.00 174.94 171.56 2dko s PRO 263 N 0.91 -0.19 -0.15 3.50 0.02 -1.24 -1.80 135.00 136.05 2dko s PRO 263 Ca -0.07 0.32 -0.04 0.00 0.02 0.00 0.00 61.00 61.22 2dko s PRO 263 Cb -0.15 -1.68 0.06 0.00 0.02 0.00 0.00 34.50 32.74 2dko s PRO 263 CO -0.01 -3.10 0.09 0.00 -0.33 0.00 0.00 177.00 173.64 2dko s ILE 265 N 2.15 5.05 -0.28 0.00 1.01 -1.26 -1.31 121.20 126.56 2dko s ILE 265 Ca 0.03 1.10 0.03 0.00 0.00 0.00 0.00 60.65 61.81 2dko s ILE 265 Cb -0.15 -3.91 0.07 0.00 0.01 0.00 0.00 42.46 38.48 2dko s ILE 265 CO -0.08 0.13 -0.06 -0.69 0.00 0.00 0.00 174.94 174.24 2dko s VAL 266 N 1.85 2.11 -0.20 2.92 1.01 0.27 -5.02 120.40 123.35 2dko s VAL 266 Ca 0.27 -1.77 -0.03 0.00 0.00 0.00 0.00 61.98 60.45 2dko s VAL 266 Cb -0.16 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 2dko s VAL 266 CO 0.10 -0.19 -0.07 -0.55 0.00 0.00 0.00 175.10 174.39 2dko s SER 267 N 1.09 4.23 -0.21 3.32 0.15 -1.26 -0.53 113.70 120.49 2dko s SER 267 Ca -0.03 -0.37 0.15 0.00 0.70 0.00 0.00 55.95 56.39 2dko s SER 267 Cb -0.20 -1.71 0.51 0.00 -1.71 0.00 0.00 66.02 62.92 2dko s SER 267 CO -0.06 0.03 1.43 0.23 1.20 0.00 0.00 173.24 176.07 2dko n MET 268 N 4.44 2.53 -2.01 5.44 2.81 0.22 -5.03 117.12 125.51 2dko n MET 268 Ca -0.18 -2.92 -0.33 0.00 -1.81 0.00 0.00 57.70 52.45 2dko n MET 268 Cb 0.51 -1.83 0.02 0.00 -0.71 0.00 0.00 33.22 31.22 2dko n MET 268 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2dko s LEU 269 N -2.95 3.52 0.00 4.03 1.43 -1.13 -0.72 118.68 122.85 2dko s LEU 269 Ca 0.43 1.94 0.03 0.00 -1.03 0.00 0.00 54.13 55.50 2dko s LEU 269 Cb 0.36 -4.55 0.03 0.00 0.03 0.00 0.00 46.19 42.05 2dko s LEU 269 CO 0.06 -1.31 0.62 1.07 0.23 0.00 0.00 176.35 177.01 2dko n THR 270 N -1.99 0.06 -4.09 5.49 5.66 -1.26 -4.85 114.28 113.30 2dko n THR 270 Ca 0.10 -0.53 -0.10 0.00 -3.05 0.00 0.00 64.05 60.47 2dko n THR 270 Cb 0.52 1.03 -0.09 0.00 -1.55 0.00 0.00 70.33 70.24 2dko n THR 270 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2dko s LYS 271 N -0.28 1.04 0.48 1.09 1.02 -1.26 -5.15 119.74 116.69 2dko s LYS 271 Ca 0.03 -1.37 -0.22 0.00 0.02 0.00 0.00 55.97 54.43 2dko s LYS 271 Cb 0.02 0.29 -0.07 0.00 -0.52 0.00 0.00 37.83 37.56 2dko s LYS 271 CO 0.04 -0.33 1.17 -1.21 -0.92 0.00 0.00 175.35 174.09 2dko s GLU 272 N -4.03 3.67 -0.18 1.68 2.02 -1.26 -5.04 118.70 115.55 2dko s GLU 272 Ca 0.23 1.77 0.01 0.00 0.02 0.00 0.00 54.97 57.00 2dko s GLU 272 Cb 0.06 -2.33 0.03 0.00 0.10 0.00 0.00 34.13 31.98 2dko s GLU 272 CO 0.02 -0.63 -0.15 -1.17 0.02 0.00 0.00 175.26 173.36 2dko s LEU 273 N -3.17 2.10 -0.06 1.80 1.98 -1.26 -5.05 118.68 115.02 2dko s LEU 273 Ca 0.65 -0.70 0.05 0.00 -2.89 0.00 0.00 54.13 51.24 2dko s LEU 273 Cb -0.28 -1.32 -0.02 0.00 0.66 0.00 0.00 46.19 45.23 2dko s LEU 273 CO 0.34 -0.07 -0.21 -0.31 -1.89 0.00 0.00 176.35 174.21 2dko s TYR 274 N 1.37 2.54 -0.69 5.38 2.02 -1.26 -0.81 117.35 125.90 2dko s TYR 274 Ca 0.03 -0.56 0.26 0.00 -0.37 0.00 0.00 57.07 56.42 2dko s TYR 274 Cb -0.14 -1.63 0.80 0.00 -0.40 0.00 0.00 41.96 40.59 2dko s TYR 274 CO -0.10 -0.11 1.76 0.74 -1.57 0.00 0.00 175.55 176.27 2dko h PHE 275 N 5.93 0.00 -1.51 2.71 0.04 -1.86 -3.45 116.94 118.80 2dko h PHE 275 Ca -0.35 0.00 -0.46 0.00 2.80 0.00 0.00 57.97 59.96 2dko h PHE 275 Cb 1.17 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.31 2dko h PHE 275 CO 0.45 0.00 -0.33 1.52 -0.60 0.00 0.00 178.31 179.35 2dko s TYR 276 N -3.13 2.78 0.00 -0.55 -0.85 -1.26 -5.08 117.35 109.27 2dko s TYR 276 Ca 0.10 -0.43 0.00 0.00 -0.52 0.00 0.00 57.07 56.22 2dko s TYR 276 Cb 0.12 -2.24 0.00 0.00 0.38 0.00 0.00 41.96 40.22 2dko s TYR 276 CO 0.59 -0.23 0.00 -2.39 -1.52 0.00 0.00 175.55 172.00