#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c2k s SER 176 N 0.00 -0.27 0.30 0.00 1.04 -1.26 -5.18 113.70 108.34 2c2k s SER 176 Ca 0.00 0.05 -0.18 0.00 0.48 0.00 0.00 55.95 56.31 2c2k s SER 176 Cb 0.00 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.54 2c2k s SER 176 CO 0.00 -0.59 0.69 -0.83 0.98 0.00 0.00 173.24 173.49 2c2k s GLY 177 N -1.76 0.20 0.33 7.32 0.00 -1.26 -5.05 107.32 107.10 2c2k s GLY 177 Ca -0.08 -0.56 0.24 0.00 0.00 0.00 0.00 44.72 44.32 2c2k s GLY 177 CO 0.00 -0.27 1.60 -0.39 0.00 0.00 0.00 173.10 174.04 2c2k h VAL 178 N 2.04 0.00 -0.23 1.40 -1.51 -2.03 -3.35 116.25 112.57 2c2k h VAL 178 Ca -0.24 -0.81 -0.06 0.00 -1.23 0.00 0.00 66.70 64.36 2c2k h VAL 178 Cb 1.25 1.75 -0.04 0.00 -2.13 0.00 0.00 31.29 32.12 2c2k h VAL 178 CO 0.30 0.00 -0.06 -0.90 -1.23 0.00 0.00 177.57 175.68 2c2k n ASP 179 N -2.76 2.98 -4.14 4.19 5.68 -1.26 -5.04 116.55 116.20 2c2k n ASP 179 Ca 0.04 -3.35 -0.09 0.00 -0.50 0.00 0.00 54.79 50.89 2c2k n ASP 179 Cb 0.50 -0.55 -0.10 0.00 -1.14 0.00 0.00 41.12 39.82 2c2k n ASP 179 CO 0.00 0.00 0.00 1.51 -1.33 0.00 0.00 177.20 177.38 2c2k s ASP 180 N -2.40 0.65 -1.16 -1.12 -4.77 -1.26 -4.94 116.67 101.68 2c2k s ASP 180 Ca 0.41 -1.09 -0.17 0.00 -3.30 0.00 0.00 52.55 48.41 2c2k s ASP 180 Cb 0.35 0.20 -0.01 0.00 -1.09 0.00 0.00 42.92 42.37 2c2k s ASP 180 CO 0.04 -0.61 0.78 -0.67 0.70 0.00 0.00 175.17 175.40 2c2k n ASP 181 N -0.02 -4.85 -4.77 2.11 2.03 -1.26 -4.86 116.55 104.92 2c2k n ASP 181 Ca -0.10 -0.97 -0.39 0.00 0.52 0.00 0.00 54.79 53.85 2c2k n ASP 181 Cb 0.62 -3.58 -0.03 0.00 -0.72 0.00 0.00 41.12 37.41 2c2k n ASP 181 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2c2k s MET 182 N -5.86 4.18 0.14 -0.67 -1.94 -1.26 -4.94 119.30 108.95 2c2k s MET 182 Ca 0.41 1.83 -0.17 0.00 -1.71 0.00 0.00 55.69 56.05 2c2k s MET 182 Cb -0.14 -2.77 -0.01 0.00 2.01 0.00 0.00 34.83 33.93 2c2k s MET 182 CO 0.85 -0.21 1.80 0.00 -0.01 0.00 0.00 175.02 177.45 2c2k h ALA 183 N 2.86 0.44 -2.53 3.03 0.00 -2.04 -3.38 119.26 117.64 2c2k h ALA 183 Ca -0.48 -0.03 -0.66 0.00 0.00 0.00 0.00 54.91 53.74 2c2k h ALA 183 Cb 1.23 -0.14 -0.17 0.00 0.00 0.00 0.00 17.79 18.71 2c2k h ALA 183 CO 0.63 -0.09 -0.22 0.00 0.00 0.00 0.00 179.25 179.57 2c2k s HIS 185 N 2.12 3.29 0.12 0.00 0.09 -1.26 -5.03 115.29 114.61 2c2k s HIS 185 Ca 0.13 1.18 0.03 0.00 -0.00 0.00 0.00 55.06 56.40 2c2k s HIS 185 Cb -0.16 -3.48 -0.04 0.00 -0.00 0.00 0.00 32.58 28.89 2c2k s HIS 185 CO 0.12 -1.56 -0.08 0.15 -0.00 0.00 0.00 174.74 173.37 2c2k s LYS 186 N 1.46 0.91 0.17 1.40 1.02 -1.26 -5.17 119.74 118.28 2c2k s LYS 186 Ca 0.59 -1.35 0.06 0.00 0.02 0.00 0.00 55.97 55.29 2c2k s LYS 186 Cb -0.30 -0.39 -0.05 0.00 -0.52 0.00 0.00 37.83 36.58 2c2k s LYS 186 CO 0.28 0.03 -0.12 0.96 -0.92 0.00 0.00 175.35 175.57 2c2k s ILE 187 N -3.38 1.40 0.49 2.17 -0.00 -1.26 -5.13 121.20 115.49 2c2k s ILE 187 Ca 0.13 -2.12 -0.23 0.00 -0.00 0.00 0.00 60.65 58.43 2c2k s ILE 187 Cb 0.03 -1.92 -0.06 0.00 -0.00 0.00 0.00 42.46 40.51 2c2k s ILE 187 CO -0.02 -0.68 1.29 -2.84 -0.00 0.00 0.00 174.94 172.69 2c2k s PRO 188 N -3.69 3.49 0.20 0.37 0.02 -1.26 -4.88 135.00 129.25 2c2k s PRO 188 Ca 0.19 2.09 0.24 0.00 0.02 0.00 0.00 61.00 63.53 2c2k s PRO 188 Cb 0.01 -2.40 0.91 0.00 0.02 0.00 0.00 34.50 33.04 2c2k s PRO 188 CO 0.03 -0.87 1.71 1.33 -0.33 0.00 0.00 177.00 178.88 2c2k n VAL 189 N -0.64 0.74 1.12 3.83 0.24 -1.26 -2.24 118.33 120.11 2c2k n VAL 189 Ca 0.08 0.08 0.12 0.00 -2.04 0.00 0.00 64.34 62.59 2c2k n VAL 189 Cb 0.46 -0.96 0.18 0.00 -1.47 0.00 0.00 33.84 32.05 2c2k n VAL 189 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2c2k n GLU 190 N -2.12 1.78 -1.71 7.34 -0.58 -1.26 -4.97 120.64 119.11 2c2k n GLU 190 Ca 0.03 -1.38 -0.31 0.00 -0.42 0.00 0.00 57.16 55.08 2c2k n GLU 190 Cb 0.28 -1.47 0.04 0.00 -0.57 0.00 0.00 31.44 29.72 2c2k n GLU 190 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2c2k s ALA 191 N -2.17 2.69 -0.85 0.62 0.00 -0.95 -4.08 121.76 117.02 2c2k s ALA 191 Ca 0.27 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.41 2c2k s ALA 191 Cb 0.20 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 20.12 2c2k s ALA 191 CO 0.40 -1.11 0.00 -0.25 0.00 0.00 0.00 175.76 174.80 2c2k n ASP 192 N -2.81 -3.41 -4.58 0.00 8.00 0.21 -4.99 116.55 108.97 2c2k n ASP 192 Ca 0.08 0.04 -0.31 0.00 0.71 0.00 0.00 54.79 55.30 2c2k n ASP 192 Cb 0.53 -2.51 -0.10 0.00 -0.02 0.00 0.00 41.12 39.02 2c2k n ASP 192 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2c2k s PHE 193 N -2.45 2.83 -0.03 1.24 0.08 -1.23 -4.84 117.98 113.57 2c2k s PHE 193 Ca 0.00 -0.08 -0.01 0.00 0.12 0.00 0.00 56.93 56.96 2c2k s PHE 193 Cb 0.00 -1.56 0.03 0.00 -0.57 0.00 0.00 43.02 40.92 2c2k s PHE 193 CO 0.00 0.37 0.03 -1.17 -0.10 0.00 0.00 175.22 174.35 2c2k s LEU 194 N -1.59 0.79 -0.26 -0.37 0.20 -1.26 -0.74 118.68 115.45 2c2k s LEU 194 Ca 0.18 0.02 -0.05 0.00 0.69 0.00 0.00 54.13 54.96 2c2k s LEU 194 Cb -0.11 -0.18 0.00 0.00 -0.43 0.00 0.00 46.19 45.48 2c2k s LEU 194 CO 0.09 -0.16 0.02 -0.31 -0.29 0.00 0.00 176.35 175.70 2c2k s TYR 195 N 1.46 3.08 -0.66 5.38 1.51 0.61 -5.00 117.35 123.73 2c2k s TYR 195 Ca -0.04 -1.01 -0.13 0.00 -1.01 0.00 0.00 57.07 54.87 2c2k s TYR 195 Cb -0.13 -2.18 0.17 0.00 -0.11 0.00 0.00 41.96 39.71 2c2k s TYR 195 CO -0.03 -0.57 0.59 0.00 -1.11 0.00 0.00 175.55 174.43 2c2k s ALA 196 N 1.48 3.80 0.18 3.71 0.00 -1.26 -0.58 121.76 129.08 2c2k s ALA 196 Ca 0.03 -2.93 -0.22 0.00 0.00 0.00 0.00 51.96 48.84 2c2k s ALA 196 Cb -0.16 -3.27 -0.08 0.00 0.00 0.00 0.00 23.12 19.61 2c2k s ALA 196 CO -0.00 -2.12 0.73 0.71 0.00 0.00 0.00 175.76 175.08 2c2k s TYR 197 N 0.83 3.79 0.06 0.00 2.02 -0.58 -4.97 117.35 118.49 2c2k s TYR 197 Ca 0.11 1.49 0.27 0.00 -0.37 0.00 0.00 57.07 58.57 2c2k s TYR 197 Cb -0.20 -2.67 0.99 0.00 -0.40 0.00 0.00 41.96 39.68 2c2k s TYR 197 CO -0.03 0.45 1.85 0.66 -1.57 0.00 0.00 175.55 176.91 2c2k h SER 198 N 3.97 0.00 -5.33 2.29 4.64 -1.94 -0.88 113.55 116.30 2c2k h SER 198 Ca -0.48 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.73 2c2k h SER 198 Cb 1.20 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.17 2c2k h SER 198 CO 0.65 0.13 -0.31 0.28 -0.87 0.00 0.00 176.83 176.71 2c2k s THR 199 N -3.59 0.03 0.65 2.95 -1.32 -1.26 -3.64 115.64 109.45 2c2k s THR 199 Ca 0.01 -1.54 -0.15 0.00 -1.21 0.00 0.00 61.69 58.80 2c2k s THR 199 Cb 0.09 -2.13 -0.01 0.00 -1.51 0.00 0.00 72.50 68.95 2c2k s THR 199 CO 0.61 -0.12 1.11 0.00 -2.21 0.00 0.00 174.62 174.01 2c2k s ALA 200 N -4.03 2.50 0.16 11.08 0.00 -0.91 -4.08 121.76 126.49 2c2k s ALA 200 Ca 0.24 0.57 -0.34 0.00 0.00 0.00 0.00 51.96 52.43 2c2k s ALA 200 Cb 0.03 -3.32 -0.14 0.00 0.00 0.00 0.00 23.12 19.69 2c2k s ALA 200 CO 0.06 -1.21 1.51 -2.30 0.00 0.00 0.00 175.76 173.82 2c2k n PRO 201 N -2.30 1.97 -0.56 0.00 -0.02 -1.26 -1.74 135.00 131.10 2c2k n PRO 201 Ca 0.10 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 2c2k n PRO 201 Cb 0.52 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 2c2k n PRO 201 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2c2k n GLY 202 N 3.07 1.29 3.84 -1.23 0.00 -1.26 -5.04 105.19 105.86 2c2k n GLY 202 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 2c2k n GLY 202 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2c2k s TYR 203 N -3.34 3.22 0.84 1.61 1.51 -0.71 -5.11 117.35 115.38 2c2k s TYR 203 Ca 0.00 -0.01 -0.11 0.00 -1.01 0.00 0.00 57.07 55.94 2c2k s TYR 203 Cb 0.00 -1.52 0.10 0.00 -0.11 0.00 0.00 41.96 40.43 2c2k s TYR 203 CO 0.00 0.51 1.09 0.71 -1.11 0.00 0.00 175.55 176.76 2c2k s TYR 204 N -1.85 2.40 -0.09 2.71 1.51 -1.26 -4.82 117.35 115.96 2c2k s TYR 204 Ca 0.32 1.42 0.04 0.00 -1.01 0.00 0.00 57.07 57.84 2c2k s TYR 204 Cb -0.10 -3.11 0.00 0.00 -0.11 0.00 0.00 41.96 38.64 2c2k s TYR 204 CO 0.25 -2.14 -0.20 0.45 -1.11 0.00 0.00 175.55 172.80 2c2k s SER 205 N -3.37 2.67 0.09 2.29 0.15 -1.26 -4.83 113.70 109.44 2c2k s SER 205 Ca 0.62 -0.47 -0.14 0.00 0.70 0.00 0.00 55.95 56.66 2c2k s SER 205 Cb -0.18 -1.20 -0.06 0.00 -1.71 0.00 0.00 66.02 62.87 2c2k s SER 205 CO 0.57 0.12 0.49 0.26 1.20 0.00 0.00 173.24 175.88 2c2k s TRP 206 N 0.42 3.65 -0.02 3.44 0.52 -1.26 -5.09 118.94 120.60 2c2k s TRP 206 Ca -0.17 1.01 -0.01 0.00 0.02 0.00 0.00 56.10 56.96 2c2k s TRP 206 Cb -0.17 -2.32 0.02 0.00 -1.15 0.00 0.00 33.47 29.85 2c2k s TRP 206 CO 0.07 0.51 0.04 0.50 0.02 0.00 0.00 176.95 178.10 2c2k s ARG 207 N -1.66 -0.00 -0.24 4.98 3.52 -1.26 -2.69 118.95 121.59 2c2k s ARG 207 Ca 0.33 0.17 -0.21 0.00 -0.13 0.00 0.00 55.73 55.89 2c2k s ARG 207 Cb -0.16 -0.16 -0.02 0.00 -1.56 0.00 0.00 34.95 33.05 2c2k s ARG 207 CO 0.18 -0.12 0.65 1.21 -0.81 0.00 0.00 175.30 176.41 2c2k s ASN 208 N 0.78 6.63 0.13 -2.12 3.84 -0.34 -4.90 114.94 118.96 2c2k s ASN 208 Ca -0.06 0.77 0.06 0.00 0.21 0.00 0.00 52.86 53.84 2c2k s ASN 208 Cb -0.09 -2.35 0.35 0.00 -0.55 0.00 0.00 41.25 38.61 2c2k s ASN 208 CO -0.03 -0.37 1.08 -1.54 -2.79 0.00 0.00 177.10 173.46 2c2k n SER 209 N 5.61 0.17 -0.03 -4.21 3.41 -1.26 -1.15 113.62 116.16 2c2k n SER 209 Ca 0.00 0.46 -0.04 0.00 -0.26 0.00 0.00 58.87 59.03 2c2k n SER 209 Cb 0.49 -0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 63.96 2c2k n SER 209 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2c2k n LYS 210 N -1.67 0.13 0.00 4.33 4.81 -1.26 -4.79 118.16 119.72 2c2k n LYS 210 Ca -0.00 0.03 0.11 0.00 -0.87 0.00 0.00 58.31 57.58 2c2k n LYS 210 Cb 0.18 -1.06 0.05 0.00 0.02 0.00 0.00 35.03 34.22 2c2k n LYS 210 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2c2k n ASP 211 N -2.72 1.17 0.00 3.14 8.00 -1.14 -5.09 116.55 119.91 2c2k n ASP 211 Ca -0.10 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.43 2c2k n ASP 211 Cb 0.60 0.60 0.00 0.00 -0.02 0.00 0.00 41.12 42.30 2c2k n ASP 211 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2c2k n GLY 212 N 1.46 0.44 3.76 0.44 0.00 -0.30 -4.87 105.19 106.12 2c2k n GLY 212 Ca 0.07 -2.12 -0.36 0.00 0.00 0.00 0.00 46.02 43.61 2c2k n GLY 212 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2c2k s SER 213 N 0.00 5.66 0.24 1.61 1.04 -1.26 -1.20 113.70 119.79 2c2k s SER 213 Ca 0.00 2.33 -0.07 0.00 0.48 0.00 0.00 55.95 58.69 2c2k s SER 213 Cb 0.00 -2.60 0.24 0.00 0.10 0.00 0.00 66.02 63.76 2c2k s SER 213 CO 0.00 -1.27 1.92 -0.50 0.98 0.00 0.00 173.24 174.37 2c2k h TRP 214 N 1.39 1.19 0.38 5.02 6.55 -1.89 -1.68 115.95 126.92 2c2k h TRP 214 Ca -0.50 0.03 -0.02 0.00 0.95 0.00 0.00 58.89 59.35 2c2k h TRP 214 Cb 1.27 -0.40 0.00 0.00 -0.86 0.00 0.00 29.16 29.17 2c2k h TRP 214 CO 0.50 0.75 -0.18 0.35 -1.05 0.00 0.00 178.44 178.80 2c2k h PHE 215 N 1.28 -0.48 -0.84 0.49 3.57 -1.88 -2.12 116.94 116.96 2c2k h PHE 215 Ca 0.35 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.82 2c2k h PHE 215 Cb -0.14 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 2c2k h PHE 215 CO -0.00 -0.16 0.46 0.82 -2.23 0.00 0.00 178.31 177.19 2c2k h ILE 216 N -0.81 1.25 0.03 1.41 1.08 -1.94 0.24 117.51 118.76 2c2k h ILE 216 Ca -0.05 -0.61 0.03 0.00 -0.39 0.00 0.00 64.86 63.83 2c2k h ILE 216 Cb 0.53 0.13 -0.04 0.00 -3.07 0.00 0.00 36.82 34.36 2c2k h ILE 216 CO 0.09 0.28 -0.26 1.56 -0.69 0.00 0.00 178.15 179.12 2c2k h GLN 217 N 1.17 -0.40 -0.68 2.37 4.20 -1.33 -0.98 115.11 119.46 2c2k h GLN 217 Ca 0.29 0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.97 2c2k h GLN 217 Cb 0.03 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 2c2k h GLN 217 CO -0.05 -0.27 0.20 0.77 -0.67 0.00 0.00 178.83 178.81 2c2k h SER 218 N -0.42 1.00 0.10 1.46 0.02 -1.00 -1.99 113.55 112.72 2c2k h SER 218 Ca 0.05 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2c2k h SER 218 Cb 0.49 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2c2k h SER 218 CO -0.21 0.96 -0.05 0.25 -1.14 0.00 0.00 176.83 176.64 2c2k h LEU 219 N 1.00 -0.11 -0.77 5.07 5.85 -0.30 -0.82 115.31 125.23 2c2k h LEU 219 Ca 0.22 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.93 2c2k h LEU 219 Cb 0.32 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 2c2k h LEU 219 CO -0.00 -0.06 0.50 0.00 -0.34 0.00 0.00 178.44 178.54 2c2k h ALA 221 N 1.29 0.61 -0.21 0.00 0.00 -1.14 0.10 119.26 119.91 2c2k h ALA 221 Ca 0.29 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 2c2k h ALA 221 Cb -0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2c2k h ALA 221 CO -0.08 0.13 -0.47 0.52 0.00 0.00 0.00 179.25 179.35 2c2k h MET 222 N 0.63 0.54 -0.33 0.00 2.07 -0.81 -1.74 114.93 115.28 2c2k h MET 222 Ca 0.17 -0.30 -0.07 0.00 -2.07 0.00 0.00 59.70 57.43 2c2k h MET 222 Cb 0.05 0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 29.78 2c2k h MET 222 CO -0.03 0.89 -0.05 -0.07 1.07 0.00 0.00 176.91 178.73 2c2k h LEU 223 N 0.43 0.62 -0.94 1.22 3.38 -0.88 0.28 115.31 119.41 2c2k h LEU 223 Ca 0.02 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.68 2c2k h LEU 223 Cb 0.98 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.52 2c2k h LEU 223 CO 0.09 0.82 0.62 0.50 0.09 0.00 0.00 178.44 180.55 2c2k h LYS 224 N 0.41 1.19 0.00 1.13 3.64 -0.86 0.23 116.57 122.32 2c2k h LYS 224 Ca 0.09 -0.07 -0.21 0.00 -1.27 0.00 0.00 60.65 59.19 2c2k h LYS 224 Cb 0.53 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 2c2k h LYS 224 CO 0.03 0.79 -1.17 0.37 -2.27 0.00 0.00 179.45 177.20 2c2k h GLN 225 N 1.23 0.00 0.00 1.90 4.15 -1.14 -3.42 115.11 117.84 2c2k h GLN 225 Ca 0.36 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.78 2c2k h GLN 225 Cb -0.07 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.62 2c2k h GLN 225 CO -0.10 0.67 0.00 0.66 -1.93 0.00 0.00 178.83 178.13 2c2k n TYR 226 N -3.18 0.00 0.23 3.99 4.01 0.96 -4.77 117.16 118.40 2c2k n TYR 226 Ca -0.06 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.86 2c2k n TYR 226 Cb 0.92 0.00 0.86 0.00 -0.31 0.00 0.00 39.34 40.81 2c2k n TYR 226 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2c2k h ALA 227 N 0.00 1.66 -0.46 -0.72 0.00 -1.07 0.20 119.26 118.88 2c2k h ALA 227 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2c2k h ALA 227 Cb 0.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2c2k h ALA 227 CO 0.00 -0.33 0.00 -0.40 0.00 0.00 0.00 179.25 178.52 2c2k n ASP 228 N -3.50 4.44 0.00 0.00 5.75 -1.26 -4.26 116.55 117.71 2c2k n ASP 228 Ca 0.01 -2.69 0.00 0.00 -0.01 0.00 0.00 54.79 52.10 2c2k n ASP 228 Cb 0.36 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 2c2k n ASP 228 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2c2k n LYS 229 N 0.36 2.91 -4.24 0.11 5.02 0.49 -5.03 118.16 117.79 2c2k n LYS 229 Ca 0.23 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.35 2c2k n LYS 229 Cb 0.90 -0.56 -0.11 0.00 -0.02 0.00 0.00 35.03 35.24 2c2k n LYS 229 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2c2k s LEU 230 N -0.87 2.42 0.49 -0.35 1.43 0.06 -5.12 118.68 116.75 2c2k s LEU 230 Ca 0.00 -0.84 -0.22 0.00 -1.03 0.00 0.00 54.13 52.04 2c2k s LEU 230 Cb 0.00 -0.50 -0.07 0.00 0.03 0.00 0.00 46.19 45.65 2c2k s LEU 230 CO 0.00 -0.18 1.17 -0.70 0.23 0.00 0.00 176.35 176.87 2c2k s GLU 231 N -2.84 3.57 0.26 1.70 -6.30 -1.26 -4.77 118.70 109.06 2c2k s GLU 231 Ca 0.10 1.75 -0.01 0.00 -2.50 0.00 0.00 54.97 54.31 2c2k s GLU 231 Cb -0.04 -2.26 0.57 0.00 0.00 0.00 0.00 34.13 32.40 2c2k s GLU 231 CO 0.03 -0.70 1.72 0.35 0.02 0.00 0.00 175.26 176.67 2c2k h PHE 232 N 1.72 0.57 -0.37 5.30 3.57 -1.24 -1.20 116.94 125.28 2c2k h PHE 232 Ca -0.50 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.00 2c2k h PHE 232 Cb 1.26 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 2c2k h PHE 232 CO 0.52 0.02 0.05 0.52 -2.23 0.00 0.00 178.31 177.19 2c2k h MET 233 N 0.44 0.56 -0.13 1.11 2.86 -1.92 -0.32 114.93 117.53 2c2k h MET 233 Ca 0.47 -0.11 -0.15 0.00 -2.06 0.00 0.00 59.70 57.86 2c2k h MET 233 Cb 0.80 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 2c2k h MET 233 CO -0.46 0.55 -0.55 0.45 1.06 0.00 0.00 176.91 177.96 2c2k h HIS 234 N 0.54 0.47 -0.17 -0.22 3.86 -1.61 -0.90 115.15 117.13 2c2k h HIS 234 Ca 0.12 -0.17 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 2c2k h HIS 234 Cb 0.27 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 2c2k h HIS 234 CO 0.01 0.84 0.03 0.82 0.86 0.00 0.00 177.93 180.50 2c2k h ILE 235 N 0.29 1.22 0.00 2.45 2.04 -0.64 -1.89 117.51 120.98 2c2k h ILE 235 Ca 0.00 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 2c2k h ILE 235 Cb 1.06 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 2c2k h ILE 235 CO 0.09 0.21 -0.18 -0.07 0.00 0.00 0.00 178.15 178.20 2c2k h LEU 236 N 0.07 0.00 -0.59 1.44 3.38 -0.95 -0.99 115.31 117.66 2c2k h LEU 236 Ca 0.05 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 2c2k h LEU 236 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2c2k h LEU 236 CO 0.00 0.18 -0.31 0.74 0.09 0.00 0.00 178.44 179.14 2c2k h THR 237 N 0.00 1.28 -0.55 0.22 2.02 -0.85 -0.22 112.91 114.81 2c2k h THR 237 Ca -0.00 -1.46 -0.06 0.00 0.77 0.00 0.00 66.41 65.66 2c2k h THR 237 Cb 0.32 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 2c2k h THR 237 CO 0.02 0.48 0.10 0.03 0.37 0.00 0.00 175.52 176.53 2c2k h ARG 238 N 0.67 0.87 -0.53 6.66 2.47 -0.41 -1.86 114.38 122.24 2c2k h ARG 238 Ca 0.07 -0.20 -0.04 0.00 -1.26 0.00 0.00 59.98 58.55 2c2k h ARG 238 Cb 0.85 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 29.03 2c2k h ARG 238 CO 0.07 0.80 0.16 0.28 0.56 0.00 0.00 179.97 181.84 2c2k h VAL 239 N 0.83 1.24 -0.44 2.04 2.07 -0.74 -1.35 116.25 119.89 2c2k h VAL 239 Ca 0.18 -0.80 0.06 0.00 0.82 0.00 0.00 66.70 66.96 2c2k h VAL 239 Cb 0.35 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 2c2k h VAL 239 CO 0.00 0.30 0.12 0.78 0.02 0.00 0.00 177.57 178.79 2c2k h ASN 240 N 0.73 0.08 -0.45 0.57 4.21 -0.49 -1.65 115.58 118.58 2c2k h ASN 240 Ca 0.17 0.06 -0.11 0.00 1.21 0.00 0.00 56.30 57.63 2c2k h ASN 240 Cb 0.29 0.07 -0.02 0.00 -1.12 0.00 0.00 38.32 37.54 2c2k h ASN 240 CO -0.00 0.08 -0.12 -0.09 -1.29 0.00 0.00 177.43 176.00 2c2k h ARG 241 N 0.27 0.93 -0.19 0.81 2.43 -1.11 -1.75 114.38 115.77 2c2k h ARG 241 Ca 0.21 -0.34 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 2c2k h ARG 241 Cb 0.24 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2c2k h ARG 241 CO -0.25 0.99 0.08 -0.22 -1.51 0.00 0.00 179.97 179.06 2c2k h LYS 242 N 0.83 0.28 -0.42 0.20 3.64 -0.88 -1.51 116.57 118.71 2c2k h LYS 242 Ca 0.13 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 2c2k h LYS 242 Cb 0.66 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 2c2k h LYS 242 CO 0.05 0.34 0.10 0.28 -2.27 0.00 0.00 179.45 177.95 2c2k h VAL 243 N 0.15 1.23 -0.50 2.00 2.07 -1.29 -1.05 116.25 118.86 2c2k h VAL 243 Ca 0.06 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.73 2c2k h VAL 243 Cb 0.17 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2c2k h VAL 243 CO -0.01 0.28 0.10 0.00 0.02 0.00 0.00 177.57 177.96 2c2k h ALA 244 N 0.95 1.23 0.03 1.67 0.00 -1.23 -3.08 119.26 118.84 2c2k h ALA 244 Ca 0.13 -0.21 -0.37 0.00 0.00 0.00 0.00 54.91 54.47 2c2k h ALA 244 Cb 0.32 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2c2k h ALA 244 CO 0.00 0.53 -2.23 0.25 0.00 0.00 0.00 179.25 177.80 2c2k n THR 245 N -4.27 1.56 0.55 0.00 -2.24 -0.58 -4.60 114.28 104.70 2c2k n THR 245 Ca 0.03 -0.69 0.12 0.00 -2.27 0.00 0.00 64.05 61.25 2c2k n THR 245 Cb 0.23 -1.24 0.15 0.00 -2.10 0.00 0.00 70.33 67.37 2c2k n THR 245 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2c2k h GLU 246 N 0.02 0.00 -6.40 -0.78 5.08 -1.31 -3.47 114.58 107.72 2c2k h GLU 246 Ca -0.49 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.18 2c2k h GLU 246 Cb 2.03 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 31.04 2c2k h GLU 246 CO 0.01 0.00 -0.79 -0.06 -1.00 0.00 0.00 179.01 177.16 2c2k s PHE 247 N -3.18 2.63 -0.18 4.33 0.08 -1.16 -5.06 117.98 115.44 2c2k s PHE 247 Ca 0.06 -0.21 -0.11 0.00 0.12 0.00 0.00 56.93 56.79 2c2k s PHE 247 Cb 0.13 -1.59 0.06 0.00 -0.57 0.00 0.00 43.02 41.05 2c2k s PHE 247 CO 0.73 0.17 0.44 -2.00 -0.10 0.00 0.00 175.22 174.46 2c2k s GLU 248 N -0.83 0.44 0.68 0.44 2.12 -1.26 -4.64 118.70 115.65 2c2k s GLU 248 Ca 0.12 0.79 -0.14 0.00 0.36 0.00 0.00 54.97 56.09 2c2k s GLU 248 Cb -0.10 0.04 0.01 0.00 0.26 0.00 0.00 34.13 34.34 2c2k s GLU 248 CO 0.01 -0.14 1.12 -1.54 -0.54 0.00 0.00 175.26 174.17 2c2k s SER 249 N 1.18 4.94 -0.09 -1.70 1.04 -0.18 -4.85 113.70 114.04 2c2k s SER 249 Ca -0.08 2.01 0.00 0.00 0.48 0.00 0.00 55.95 58.37 2c2k s SER 249 Cb -0.07 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.52 2c2k s SER 249 CO -0.11 -1.74 -0.08 0.12 0.98 0.00 0.00 173.24 172.41 2c2k s PHE 250 N -2.37 1.35 -0.06 5.02 5.36 -1.26 -1.38 117.98 124.63 2c2k s PHE 250 Ca 0.67 -0.61 -0.11 0.00 -0.96 0.00 0.00 56.93 55.92 2c2k s PHE 250 Cb -0.21 -1.12 0.02 0.00 -0.34 0.00 0.00 43.02 41.37 2c2k s PHE 250 CO 0.43 -0.43 0.27 0.45 -1.46 0.00 0.00 175.22 174.49 2c2k s SER 251 N 1.46 -0.21 0.39 6.13 0.15 -1.26 -4.94 113.70 115.42 2c2k s SER 251 Ca -0.00 0.30 0.28 0.00 0.70 0.00 0.00 55.95 57.23 2c2k s SER 251 Cb -0.13 0.44 1.01 0.00 -1.71 0.00 0.00 66.02 65.63 2c2k s SER 251 CO -0.05 -0.24 1.81 -0.26 1.20 0.00 0.00 173.24 175.70 2c2k h PHE 252 N 4.94 0.00 -3.58 3.44 0.05 -2.00 -3.40 116.94 116.38 2c2k h PHE 252 Ca -0.28 0.00 -0.65 0.00 3.82 0.00 0.00 57.97 60.86 2c2k h PHE 252 Cb 1.19 0.00 -0.15 0.00 2.00 0.00 0.00 35.95 38.99 2c2k h PHE 252 CO 0.47 0.00 0.07 0.34 -0.18 0.00 0.00 178.31 179.01 2c2k s ASP 253 N -5.12 6.33 0.47 2.17 -1.08 -1.26 -4.94 116.67 113.24 2c2k s ASP 253 Ca 0.04 -0.22 0.24 0.00 -0.52 0.00 0.00 52.55 52.10 2c2k s ASP 253 Cb 0.09 -2.30 1.27 0.00 -1.46 0.00 0.00 42.92 40.51 2c2k s ASP 253 CO 0.52 -0.68 1.84 0.00 0.52 0.00 0.00 175.17 177.37 2c2k h ALA 254 N 8.72 2.52 -0.90 3.66 0.00 -1.95 -0.46 119.26 130.84 2c2k h ALA 254 Ca -0.26 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.68 2c2k h ALA 254 Cb 1.10 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 2c2k h ALA 254 CO 0.85 -0.83 0.59 1.15 0.00 0.00 0.00 179.25 181.01 2c2k h THR 255 N 0.23 1.18 -0.51 0.00 2.02 -1.93 -2.77 112.91 111.12 2c2k h THR 255 Ca 0.50 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 67.28 2c2k h THR 255 Cb 1.55 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2c2k h THR 255 CO -0.13 0.21 0.00 0.49 0.37 0.00 0.00 175.52 176.46 2c2k n PHE 256 N -4.43 0.67 -3.27 3.16 3.01 -0.23 -5.00 117.46 111.38 2c2k n PHE 256 Ca 0.11 -0.40 -0.36 0.00 1.01 0.00 0.00 57.45 57.81 2c2k n PHE 256 Cb 0.08 -0.01 -0.06 0.00 -0.01 0.00 0.00 39.48 39.48 2c2k n PHE 256 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 2c2k s HIS 257 N -1.13 3.62 -1.36 1.38 2.46 -0.88 -4.33 115.29 115.05 2c2k s HIS 257 Ca 0.38 1.18 -0.09 0.00 0.47 0.00 0.00 55.06 57.00 2c2k s HIS 257 Cb 0.21 -2.46 0.01 0.00 -0.13 0.00 0.00 32.58 30.21 2c2k s HIS 257 CO 0.28 0.40 1.19 0.00 -2.47 0.00 0.00 174.74 174.13 2c2k n ALA 258 N 0.78 -1.31 -2.84 1.58 0.00 -0.48 -4.95 120.51 113.30 2c2k n ALA 258 Ca -0.04 0.40 -0.24 0.00 0.00 0.00 0.00 53.44 53.56 2c2k n ALA 258 Cb 0.52 -5.52 -0.02 0.00 0.00 0.00 0.00 19.45 14.42 2c2k n ALA 258 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2c2k s LYS 259 N -6.33 3.47 0.43 0.00 -0.14 -1.26 -4.76 119.74 111.17 2c2k s LYS 259 Ca 0.59 -0.52 0.06 0.00 -1.36 0.00 0.00 55.97 54.75 2c2k s LYS 259 Cb -0.26 -2.83 -0.05 0.00 -1.68 0.00 0.00 37.83 33.01 2c2k s LYS 259 CO 0.73 0.37 0.14 0.15 -0.76 0.00 0.00 175.35 175.98 2c2k s LYS 260 N -3.77 2.17 -0.10 1.68 -0.14 -1.26 -1.01 119.74 117.30 2c2k s LYS 260 Ca 0.37 -1.98 -0.12 0.00 -1.36 0.00 0.00 55.97 52.88 2c2k s LYS 260 Cb -0.10 -1.87 0.03 0.00 -1.68 0.00 0.00 37.83 34.21 2c2k s LYS 260 CO 0.31 -0.17 0.32 -1.14 -0.76 0.00 0.00 175.35 173.91 2c2k s GLN 261 N -3.89 0.43 -0.14 1.68 0.74 -1.26 -5.02 119.66 112.20 2c2k s GLN 261 Ca 0.35 0.35 -0.01 0.00 0.05 0.00 0.00 55.36 56.10 2c2k s GLN 261 Cb 0.04 0.20 0.04 0.00 1.10 0.00 0.00 33.01 34.40 2c2k s GLN 261 CO 0.19 -0.07 -0.02 -1.50 -0.55 0.00 0.00 175.29 173.35 2c2k s ILE 262 N -0.07 0.75 1.16 -2.34 -1.16 -1.26 -3.46 121.20 114.82 2c2k s ILE 262 Ca -0.02 -0.34 -0.13 0.00 -0.51 0.00 0.00 60.65 59.65 2c2k s ILE 262 Cb -0.03 -0.97 0.28 0.00 0.61 0.00 0.00 42.46 42.35 2c2k s ILE 262 CO 0.01 0.13 1.03 -2.84 -2.81 0.00 0.00 174.94 170.46 2c2k s PRO 263 N 1.79 -0.87 -0.19 3.50 0.02 -1.24 -2.14 135.00 135.88 2c2k s PRO 263 Ca 0.02 0.94 -0.03 0.00 0.02 0.00 0.00 61.00 61.94 2c2k s PRO 263 Cb -0.14 -1.55 0.06 0.00 0.02 0.00 0.00 34.50 32.89 2c2k s PRO 263 CO -0.07 -3.72 0.05 0.00 -0.33 0.00 0.00 177.00 172.93 2c2k s ILE 265 N 1.92 4.88 -0.34 0.00 1.01 -1.26 -1.53 121.20 125.88 2c2k s ILE 265 Ca 0.00 1.48 0.02 0.00 0.00 0.00 0.00 60.65 62.15 2c2k s ILE 265 Cb -0.17 -4.08 0.09 0.00 0.01 0.00 0.00 42.46 38.32 2c2k s ILE 265 CO -0.09 -0.03 0.06 -0.69 0.00 0.00 0.00 174.94 174.19 2c2k s VAL 266 N 2.63 2.53 -0.19 2.92 1.01 0.25 -5.01 120.40 124.54 2c2k s VAL 266 Ca 0.33 -2.14 -0.05 0.00 0.00 0.00 0.00 61.98 60.12 2c2k s VAL 266 Cb -0.15 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 2c2k s VAL 266 CO 0.08 -0.52 0.00 -0.55 0.00 0.00 0.00 175.10 174.11 2c2k s SER 267 N 1.15 4.96 -0.15 3.32 0.15 -1.26 -0.28 113.70 121.58 2c2k s SER 267 Ca 0.07 -0.14 0.15 0.00 0.70 0.00 0.00 55.95 56.73 2c2k s SER 267 Cb -0.20 -1.84 0.35 0.00 -1.71 0.00 0.00 66.02 62.62 2c2k s SER 267 CO -0.06 0.11 1.18 0.23 1.20 0.00 0.00 173.24 175.89 2c2k n MET 268 N 3.96 1.26 -1.79 5.44 2.81 0.09 -5.03 117.12 123.86 2c2k n MET 268 Ca -0.17 -2.80 -0.32 0.00 -1.81 0.00 0.00 57.70 52.61 2c2k n MET 268 Cb 0.52 -1.39 0.03 0.00 -0.71 0.00 0.00 33.22 31.67 2c2k n MET 268 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2c2k s LEU 269 N -2.67 3.29 0.00 4.03 1.43 -1.16 -0.62 118.68 122.98 2c2k s LEU 269 Ca 0.33 1.68 0.05 0.00 -1.03 0.00 0.00 54.13 55.16 2c2k s LEU 269 Cb 0.32 -4.51 0.04 0.00 0.03 0.00 0.00 46.19 42.07 2c2k s LEU 269 CO -0.04 -1.28 0.66 0.35 0.23 0.00 0.00 176.35 176.27 2c2k n THR 270 N -2.66 0.00 -4.01 5.49 -2.24 -1.26 -4.80 114.28 104.80 2c2k n THR 270 Ca 0.08 -0.50 -0.10 0.00 -2.27 0.00 0.00 64.05 61.26 2c2k n THR 270 Cb 0.53 1.11 -0.07 0.00 -2.10 0.00 0.00 70.33 69.80 2c2k n THR 270 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2c2k s LYS 271 N -0.45 1.30 0.48 -0.78 1.02 -1.26 -5.14 119.74 114.91 2c2k s LYS 271 Ca 0.06 -1.27 -0.20 0.00 0.02 0.00 0.00 55.97 54.58 2c2k s LYS 271 Cb 0.04 0.40 -0.09 0.00 -0.52 0.00 0.00 37.83 37.66 2c2k s LYS 271 CO 0.07 -0.50 1.02 -1.21 -0.92 0.00 0.00 175.35 173.81 2c2k s GLU 272 N -4.02 3.88 -0.17 1.68 2.02 -1.26 -5.04 118.70 115.79 2c2k s GLU 272 Ca 0.22 1.29 0.00 0.00 0.02 0.00 0.00 54.97 56.51 2c2k s GLU 272 Cb 0.02 -2.11 0.03 0.00 0.10 0.00 0.00 34.13 32.18 2c2k s GLU 272 CO 0.05 -0.36 -0.11 -1.17 0.02 0.00 0.00 175.26 173.69 2c2k s LEU 273 N -3.48 1.94 -0.08 1.80 2.96 -1.26 -5.05 118.68 115.51 2c2k s LEU 273 Ca 0.66 -0.69 0.04 0.00 -0.22 0.00 0.00 54.13 53.92 2c2k s LEU 273 Cb -0.15 -1.16 -0.01 0.00 0.50 0.00 0.00 46.19 45.37 2c2k s LEU 273 CO 0.19 -0.12 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.58 2c2k s TYR 274 N 1.47 2.54 -0.43 5.38 2.02 -1.26 -0.56 117.35 126.50 2c2k s TYR 274 Ca 0.02 -0.75 0.26 0.00 -0.37 0.00 0.00 57.07 56.23 2c2k s TYR 274 Cb -0.15 -1.66 0.82 0.00 -0.40 0.00 0.00 41.96 40.57 2c2k s TYR 274 CO -0.09 -0.23 1.76 0.74 -1.57 0.00 0.00 175.55 176.15 2c2k h PHE 275 N 6.25 0.00 -1.67 2.71 0.04 -1.86 -3.45 116.94 118.96 2c2k h PHE 275 Ca -0.29 0.00 -0.51 0.00 2.80 0.00 0.00 57.97 59.97 2c2k h PHE 275 Cb 1.20 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.30 2c2k h PHE 275 CO 0.45 0.00 -0.44 1.52 -0.60 0.00 0.00 178.31 179.25 2c2k s TYR 276 N -3.29 2.75 0.00 -0.55 -0.85 -1.26 -5.09 117.35 109.06 2c2k s TYR 276 Ca 0.06 -0.43 0.00 0.00 -0.52 0.00 0.00 57.07 56.18 2c2k s TYR 276 Cb 0.09 -1.96 0.00 0.00 0.38 0.00 0.00 41.96 40.47 2c2k s TYR 276 CO 0.57 0.07 0.00 -2.39 -1.52 0.00 0.00 175.55 172.28