#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rin s THR 189 N 0.00 3.71 -0.02 2.52 2.01 -1.26 -5.09 115.64 117.51 1rin s THR 189 Ca 0.00 -0.41 0.05 0.00 0.31 0.00 0.00 61.69 61.64 1rin s THR 189 Cb 0.00 -2.72 -0.01 0.00 0.01 0.00 0.00 72.50 69.78 1rin s THR 189 CO 0.00 0.37 -0.17 -0.44 -0.69 0.00 0.00 174.62 173.69 1rin s SER 190 N 1.52 2.01 0.15 3.53 0.01 -1.26 -5.14 113.70 114.53 1rin s SER 190 Ca 0.06 -0.32 0.11 0.00 1.31 0.00 0.00 55.95 57.11 1rin s SER 190 Cb -0.15 -0.36 -0.04 0.00 0.21 0.00 0.00 66.02 65.68 1rin s SER 190 CO -0.01 0.18 -0.24 -0.31 0.41 0.00 0.00 173.24 173.27 1rin s TYR 191 N -0.21 2.19 -0.18 2.43 1.51 -1.26 -5.15 117.35 116.68 1rin s TYR 191 Ca 0.02 -0.39 -0.10 0.00 -1.01 0.00 0.00 57.07 55.60 1rin s TYR 191 Cb -0.08 -1.14 0.06 0.00 -0.11 0.00 0.00 41.96 40.69 1rin s TYR 191 CO 0.00 0.38 0.44 0.99 -1.11 0.00 0.00 175.55 176.26 1rin s THR 192 N -1.40 -0.03 0.07 -0.71 2.01 -1.26 -5.15 115.64 109.18 1rin s THR 192 Ca 0.16 0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.30 1rin s THR 192 Cb -0.09 -0.65 -0.03 0.00 0.01 0.00 0.00 72.50 71.74 1rin s THR 192 CO 0.07 0.03 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.66 1rin s LEU 193 N 1.43 2.27 -0.22 4.42 2.96 -1.26 -5.15 118.68 123.13 1rin s LEU 193 Ca -0.10 -0.62 -0.17 0.00 -0.22 0.00 0.00 54.13 53.03 1rin s LEU 193 Cb -0.08 -0.61 0.06 0.00 0.50 0.00 0.00 46.19 46.06 1rin s LEU 193 CO -0.14 -0.03 0.57 -0.44 -1.32 0.00 0.00 176.35 174.99 1rin s SER 194 N -1.71 -0.66 0.36 3.68 0.01 -1.26 -5.17 113.70 108.95 1rin s SER 194 Ca 0.00 1.19 -0.07 0.00 1.31 0.00 0.00 55.95 58.38 1rin s SER 194 Cb -0.10 1.15 0.02 0.00 0.21 0.00 0.00 66.02 67.31 1rin s SER 194 CO 0.03 -0.21 0.59 -0.62 0.41 0.00 0.00 173.24 173.44 1rin s ASP 195 N 0.79 0.58 -0.33 2.44 -1.08 -1.26 -5.13 116.67 112.67 1rin s ASP 195 Ca -0.04 -1.35 -0.13 0.00 -0.52 0.00 0.00 52.55 50.51 1rin s ASP 195 Cb -0.05 0.73 -0.02 0.00 -1.46 0.00 0.00 42.92 42.12 1rin s ASP 195 CO -0.06 -1.44 0.24 -0.69 0.52 0.00 0.00 175.17 173.73 1rin s VAL 196 N -2.79 5.28 -0.20 1.11 1.01 -1.26 -5.05 120.40 118.51 1rin s VAL 196 Ca 0.25 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.07 1rin s VAL 196 Cb -0.02 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.68 1rin s VAL 196 CO 0.17 0.02 -0.16 -0.69 0.00 0.00 0.00 175.10 174.43 1rin s VAL 197 N 1.74 2.26 -0.94 2.92 1.01 -1.26 -5.05 120.40 121.08 1rin s VAL 197 Ca 0.06 -0.99 -0.18 0.00 0.00 0.00 0.00 61.98 60.88 1rin s VAL 197 Cb -0.17 -2.02 0.14 0.00 0.00 0.00 0.00 36.38 34.33 1rin s VAL 197 CO 0.11 0.44 1.11 -0.94 0.00 0.00 0.00 175.10 175.81 1rin s SER 198 N 1.29 6.67 0.22 3.32 1.04 -1.26 -4.90 113.70 120.08 1rin s SER 198 Ca 0.03 -2.17 -0.10 0.00 0.48 0.00 0.00 55.95 54.19 1rin s SER 198 Cb -0.14 -2.38 0.32 0.00 0.10 0.00 0.00 66.02 63.92 1rin s SER 198 CO -0.11 -0.99 1.66 -0.07 0.98 0.00 0.00 173.24 174.72 1rin h LEU 199 N 10.09 -0.25 -1.59 2.42 3.38 -1.97 -2.08 115.31 125.32 1rin h LEU 199 Ca 0.16 0.16 0.38 0.00 0.09 0.00 0.00 57.88 58.67 1rin h LEU 199 Cb 1.02 0.27 -0.10 0.00 0.09 0.00 0.00 40.66 41.94 1rin h LEU 199 CO 1.08 -0.11 0.87 0.11 0.09 0.00 0.00 178.44 180.48 1rin h LYS 200 N 0.13 0.14 -0.00 1.13 1.57 -1.90 -1.28 116.57 116.36 1rin h LYS 200 Ca 0.34 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1rin h LYS 200 Cb 0.56 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1rin h LYS 200 CO -0.54 0.09 -0.61 -0.25 -0.57 0.00 0.00 179.45 177.58 1rin n ASP 201 N -4.48 0.88 -0.05 0.86 8.00 -0.79 -4.61 116.55 116.37 1rin n ASP 201 Ca 0.32 -0.70 -0.10 0.00 0.71 0.00 0.00 54.79 55.03 1rin n ASP 201 Cb 1.30 0.47 -0.03 0.00 -0.02 0.00 0.00 41.12 42.85 1rin n ASP 201 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1rin n VAL 202 N -1.22 1.10 -3.22 2.53 0.31 -0.56 -5.07 118.33 112.21 1rin n VAL 202 Ca 0.07 0.05 -0.19 0.00 -0.01 0.00 0.00 64.34 64.26 1rin n VAL 202 Cb 0.35 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 1rin n VAL 202 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1rin s VAL 203 N -2.37 3.60 0.98 2.52 -7.23 -0.75 -5.12 120.40 112.03 1rin s VAL 203 Ca -0.17 -0.95 -0.16 0.00 -1.81 0.00 0.00 61.98 58.89 1rin s VAL 203 Cb 0.05 -3.24 0.21 0.00 0.56 0.00 0.00 36.38 33.95 1rin s VAL 203 CO 0.24 -0.10 1.31 -2.84 -0.31 0.00 0.00 175.10 173.39 1rin s PRO 204 N -4.30 0.47 0.19 4.82 0.02 -1.26 -4.72 135.00 130.23 1rin s PRO 204 Ca 0.50 -0.39 -0.12 0.00 0.02 0.00 0.00 61.00 61.00 1rin s PRO 204 Cb -0.10 -1.82 0.12 0.00 0.02 0.00 0.00 34.50 32.71 1rin s PRO 204 CO 0.33 -2.53 1.86 0.93 -0.33 0.00 0.00 177.00 177.26 1rin h GLU 205 N -1.73 0.85 -5.56 5.54 5.08 -1.97 -3.41 114.58 113.38 1rin h GLU 205 Ca -0.44 -0.05 -0.65 0.00 -1.00 0.00 0.00 59.36 57.21 1rin h GLU 205 Cb 1.24 -0.19 -0.20 0.00 0.50 0.00 0.00 28.75 30.10 1rin h GLU 205 CO 0.37 0.56 -0.66 -1.58 -1.00 0.00 0.00 179.01 176.71 1rin s TRP 206 N -6.14 3.05 0.18 4.33 0.52 -1.26 -5.12 118.94 114.50 1rin s TRP 206 Ca -0.13 -0.13 0.02 0.00 0.02 0.00 0.00 56.10 55.88 1rin s TRP 206 Cb 0.14 -1.89 -0.05 0.00 -1.15 0.00 0.00 33.47 30.52 1rin s TRP 206 CO 0.76 0.13 0.01 0.14 0.02 0.00 0.00 176.95 178.02 1rin s VAL 207 N -0.07 0.67 -0.01 4.03 -7.23 -1.26 -5.14 120.40 111.39 1rin s VAL 207 Ca 0.02 -1.98 0.05 0.00 -1.81 0.00 0.00 61.98 58.26 1rin s VAL 207 Cb -0.13 -2.16 -0.03 0.00 0.56 0.00 0.00 36.38 34.62 1rin s VAL 207 CO 0.02 -0.44 -0.16 -0.13 -0.31 0.00 0.00 175.10 174.08 1rin s ARG 208 N -3.92 2.30 0.25 4.82 0.52 -1.26 -5.14 118.95 116.51 1rin s ARG 208 Ca 0.25 -0.83 0.10 0.00 -0.52 0.00 0.00 55.73 54.73 1rin s ARG 208 Cb 0.06 -2.28 -0.04 0.00 0.52 0.00 0.00 34.95 33.20 1rin s ARG 208 CO 0.05 0.58 -0.06 0.96 0.02 0.00 0.00 175.30 176.85 1rin s ILE 209 N -0.82 3.23 0.00 1.52 -4.36 -1.26 -5.12 121.20 114.38 1rin s ILE 209 Ca 0.13 -1.93 0.00 0.00 -0.26 0.00 0.00 60.65 58.59 1rin s ILE 209 Cb -0.11 -2.69 0.00 0.00 1.25 0.00 0.00 42.46 40.92 1rin s ILE 209 CO 0.03 -0.31 0.00 0.61 0.24 0.00 0.00 174.94 175.51 1rin n GLY 210 N -0.61 0.96 3.15 6.27 0.00 -1.26 -5.15 105.19 108.55 1rin n GLY 210 Ca -0.07 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.19 1rin n GLY 210 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rin s PHE 211 N -1.87 1.32 0.04 1.61 0.08 -1.26 -5.15 117.98 112.75 1rin s PHE 211 Ca 0.00 -0.32 0.01 0.00 0.12 0.00 0.00 56.93 56.74 1rin s PHE 211 Cb 0.00 -0.80 -0.03 0.00 -0.57 0.00 0.00 43.02 41.62 1rin s PHE 211 CO 0.00 0.03 -0.05 -1.54 -0.10 0.00 0.00 175.22 173.55 1rin s SER 212 N -0.91 0.65 -0.13 1.36 1.04 -1.26 -5.15 113.70 109.30 1rin s SER 212 Ca 0.03 -0.65 -0.11 0.00 0.48 0.00 0.00 55.95 55.70 1rin s SER 212 Cb -0.07 0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.17 1rin s SER 212 CO 0.01 -0.32 0.34 0.00 0.98 0.00 0.00 173.24 174.24 1rin s ALA 213 N -2.03 -0.83 0.18 5.32 0.00 -1.26 -5.17 121.76 117.97 1rin s ALA 213 Ca -0.07 0.96 0.02 0.00 0.00 0.00 0.00 51.96 52.87 1rin s ALA 213 Cb -0.06 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.45 1rin s ALA 213 CO -0.02 -0.16 0.01 0.95 0.00 0.00 0.00 175.76 176.54 1rin s THR 214 N 0.24 0.69 0.19 0.00 -4.23 -1.26 -5.09 115.64 106.17 1rin s THR 214 Ca -0.00 -1.99 0.01 0.00 -1.18 0.00 0.00 61.69 58.53 1rin s THR 214 Cb -0.03 -2.17 -0.05 0.00 1.34 0.00 0.00 72.50 71.59 1rin s THR 214 CO -0.00 -0.43 0.04 0.42 -0.54 0.00 0.00 174.62 174.11 1rin s THR 215 N -3.65 0.56 0.00 3.99 -4.23 -1.26 -4.91 115.64 106.14 1rin s THR 215 Ca 0.25 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 1rin s THR 215 Cb 0.06 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.64 1rin s THR 215 CO 0.05 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.41 1rin n GLY 216 N -0.29 3.91 0.16 3.99 0.00 -1.26 -4.96 105.19 106.74 1rin n GLY 216 Ca -0.04 -0.48 0.02 0.00 0.00 0.00 0.00 46.02 45.52 1rin n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rin h ALA 217 N 1.00 0.95 -2.76 4.61 0.00 -2.07 -3.43 119.26 117.56 1rin h ALA 217 Ca 0.00 -0.45 -0.59 0.00 0.00 0.00 0.00 54.91 53.87 1rin h ALA 217 Cb 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.61 1rin h ALA 217 CO 0.00 0.62 -0.65 -1.21 0.00 0.00 0.00 179.25 178.01 1rin s GLU 218 N -3.55 2.44 0.16 0.00 2.02 -1.26 -5.14 118.70 113.37 1rin s GLU 218 Ca -0.00 -1.13 -0.11 0.00 0.02 0.00 0.00 54.97 53.75 1rin s GLU 218 Cb 0.11 -2.36 0.00 0.00 0.10 0.00 0.00 34.13 31.99 1rin s GLU 218 CO 0.72 0.44 0.32 1.52 0.02 0.00 0.00 175.26 178.29 1rin s TYR 219 N -1.82 0.24 -0.03 1.61 -0.85 -1.26 -4.72 117.35 110.52 1rin s TYR 219 Ca 0.28 -0.61 -0.29 0.00 -0.52 0.00 0.00 57.07 55.94 1rin s TYR 219 Cb -0.09 0.04 0.09 0.00 0.38 0.00 0.00 41.96 42.38 1rin s TYR 219 CO 0.19 -0.73 0.79 0.00 -1.52 0.00 0.00 175.55 174.28 1rin s ALA 220 N -3.93 -1.79 0.08 9.51 0.00 -1.26 -5.10 121.76 119.27 1rin s ALA 220 Ca 0.13 1.16 -0.26 0.00 0.00 0.00 0.00 51.96 52.99 1rin s ALA 220 Cb 0.03 0.08 -0.06 0.00 0.00 0.00 0.00 23.12 23.17 1rin s ALA 220 CO -0.03 -0.50 0.81 0.00 0.00 0.00 0.00 175.76 176.04 1rin s ALA 221 N -2.08 3.35 -0.17 0.00 0.00 -1.26 -4.95 121.76 116.65 1rin s ALA 221 Ca -0.03 0.36 -0.02 0.00 0.00 0.00 0.00 51.96 52.27 1rin s ALA 221 Cb -0.01 -3.05 -0.01 0.00 0.00 0.00 0.00 23.12 20.05 1rin s ALA 221 CO -0.01 0.08 -0.10 -1.01 0.00 0.00 0.00 175.76 174.72 1rin s HIS 222 N -0.22 2.87 0.01 0.00 3.76 -1.26 -5.12 115.29 115.33 1rin s HIS 222 Ca 0.40 -0.87 0.02 0.00 -0.15 0.00 0.00 55.06 54.46 1rin s HIS 222 Cb -0.22 -1.96 -0.01 0.00 1.11 0.00 0.00 32.58 31.51 1rin s HIS 222 CO 0.25 -0.41 -0.07 -1.21 -0.85 0.00 0.00 174.74 172.45 1rin s GLU 223 N 0.91 0.53 -0.10 1.40 2.02 -1.26 -5.07 118.70 117.13 1rin s GLU 223 Ca -0.02 -0.39 -0.01 0.00 0.02 0.00 0.00 54.97 54.57 1rin s GLU 223 Cb -0.15 -0.46 -0.03 0.00 0.10 0.00 0.00 34.13 33.59 1rin s GLU 223 CO -0.00 0.12 -0.04 0.08 0.02 0.00 0.00 175.26 175.44 1rin s VAL 224 N -0.50 3.92 -0.13 2.63 1.01 -1.26 -5.03 120.40 121.04 1rin s VAL 224 Ca -0.01 -0.38 0.09 0.00 0.00 0.00 0.00 61.98 61.68 1rin s VAL 224 Cb -0.05 -2.65 -0.15 0.00 0.00 0.00 0.00 36.38 33.54 1rin s VAL 224 CO 0.00 0.57 0.01 0.18 0.00 0.00 0.00 175.10 175.86 1rin n LEU 225 N 2.57 0.49 -3.75 3.92 4.77 -1.26 -5.05 117.00 118.69 1rin n LEU 225 Ca -0.18 -0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.67 1rin n LEU 225 Cb 0.53 0.16 -0.08 0.00 -2.33 0.00 0.00 43.42 41.71 1rin n LEU 225 CO 0.29 0.38 0.03 -0.44 -1.33 0.00 0.00 177.39 176.32 1rin s SER 226 N -4.69 -0.15 -0.17 -1.43 0.01 -1.26 -5.16 113.70 100.85 1rin s SER 226 Ca -0.09 -0.12 -0.17 0.00 1.31 0.00 0.00 55.95 56.88 1rin s SER 226 Cb 0.04 0.35 0.05 0.00 0.21 0.00 0.00 66.02 66.67 1rin s SER 226 CO 0.49 -0.58 0.47 0.86 0.41 0.00 0.00 173.24 174.89 1rin s TRP 227 N -2.29 -0.51 -0.06 2.43 -0.00 -1.26 -5.15 118.94 112.10 1rin s TRP 227 Ca -0.07 1.24 -0.13 0.00 -0.00 0.00 0.00 56.10 57.14 1rin s TRP 227 Cb -0.02 0.18 0.03 0.00 -0.00 0.00 0.00 33.47 33.66 1rin s TRP 227 CO -0.02 -0.26 0.31 -1.54 -0.00 0.00 0.00 176.95 175.45 1rin s SER 228 N 0.17 -0.25 -0.01 5.86 1.04 -1.26 -5.16 113.70 114.09 1rin s SER 228 Ca -0.01 0.33 -0.07 0.00 0.48 0.00 0.00 55.95 56.68 1rin s SER 228 Cb -0.03 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1rin s SER 228 CO 0.01 -0.30 0.14 0.12 0.98 0.00 0.00 173.24 174.19 1rin s PHE 229 N -0.67 -0.01 -0.15 5.02 2.19 -1.26 -5.15 117.98 117.95 1rin s PHE 229 Ca -0.08 -0.01 -0.09 0.00 0.33 0.00 0.00 56.93 57.09 1rin s PHE 229 Cb -0.04 -0.02 0.05 0.00 -1.31 0.00 0.00 43.02 41.70 1rin s PHE 229 CO 0.02 -0.25 0.37 -1.58 1.83 0.00 0.00 175.22 175.62 1rin s HIS 230 N -1.07 -0.51 0.05 10.12 2.46 -1.26 -5.16 115.29 119.92 1rin s HIS 230 Ca -0.12 1.13 0.00 0.00 0.47 0.00 0.00 55.06 56.54 1rin s HIS 230 Cb -0.06 0.20 -0.03 0.00 -0.13 0.00 0.00 32.58 32.55 1rin s HIS 230 CO 0.01 -0.29 -0.04 -1.54 -2.47 0.00 0.00 174.74 170.41 1rin s SER 231 N 1.15 0.54 -0.17 9.88 1.04 -1.26 -5.16 113.70 119.72 1rin s SER 231 Ca -0.08 -0.80 -0.15 0.00 0.48 0.00 0.00 55.95 55.40 1rin s SER 231 Cb -0.08 0.14 0.05 0.00 0.10 0.00 0.00 66.02 66.23 1rin s SER 231 CO -0.09 -0.45 0.45 -1.83 0.98 0.00 0.00 173.24 172.30 1rin s GLU 232 N -2.93 0.51 -0.06 4.02 -1.05 -1.26 -5.15 118.70 112.78 1rin s GLU 232 Ca -0.01 0.66 0.03 0.00 -0.15 0.00 0.00 54.97 55.51 1rin s GLU 232 Cb 0.00 0.22 0.00 0.00 -0.44 0.00 0.00 34.13 33.92 1rin s GLU 232 CO -0.06 -0.08 -0.16 -1.17 0.95 0.00 0.00 175.26 174.74 1rin s LEU 233 N 0.42 1.83 0.62 1.83 2.96 -1.26 -5.14 118.68 119.94 1rin s LEU 233 Ca -0.01 -0.37 -0.13 0.00 -0.22 0.00 0.00 54.13 53.40 1rin s LEU 233 Cb -0.04 -0.99 -0.03 0.00 0.50 0.00 0.00 46.19 45.63 1rin s LEU 233 CO -0.02 0.10 1.04 -0.44 -1.32 0.00 0.00 176.35 175.71 1rin s SER 234 N 0.39 5.89 -0.63 3.68 0.01 -1.26 -5.00 113.70 116.78 1rin s SER 234 Ca -0.12 1.61 0.05 0.00 1.31 0.00 0.00 55.95 58.80 1rin s SER 234 Cb -0.15 -2.50 0.29 0.00 0.21 0.00 0.00 66.02 63.88 1rin s SER 234 CO 0.04 -1.09 0.88 0.61 0.41 0.00 0.00 173.24 174.09 1rin n GLY 235 N -1.87 5.24 0.61 3.44 0.00 -1.26 -5.37 105.19 105.98 1rin n GLY 235 Ca 0.07 -2.78 0.13 0.00 0.00 0.00 0.00 46.02 43.45 1rin n GLY 235 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02