#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bqp s THR 189 N 0.00 1.17 0.13 2.52 2.01 -1.26 -5.14 115.64 115.07 1bqp s THR 189 Ca 0.00 -0.44 0.09 0.00 0.31 0.00 0.00 61.69 61.65 1bqp s THR 189 Cb 0.00 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 1bqp s THR 189 CO 0.00 0.38 -0.21 -0.55 -0.69 0.00 0.00 174.62 173.55 1bqp s SER 190 N 1.12 2.69 0.02 3.53 0.15 -1.26 -5.13 113.70 114.82 1bqp s SER 190 Ca -0.06 -0.75 0.03 0.00 0.70 0.00 0.00 55.95 55.87 1bqp s SER 190 Cb -0.14 -0.16 -0.01 0.00 -1.71 0.00 0.00 66.02 64.00 1bqp s SER 190 CO -0.02 0.05 -0.08 -0.31 1.20 0.00 0.00 173.24 174.08 1bqp s TYR 191 N -1.42 0.71 0.01 3.44 1.51 -1.26 -5.16 117.35 115.18 1bqp s TYR 191 Ca 0.10 -0.28 -0.10 0.00 -1.01 0.00 0.00 57.07 55.78 1bqp s TYR 191 Cb -0.09 -0.43 0.01 0.00 -0.11 0.00 0.00 41.96 41.34 1bqp s TYR 191 CO 0.05 -0.03 0.21 -0.08 -1.11 0.00 0.00 175.55 174.60 1bqp s THR 192 N -0.67 0.08 -0.07 -0.71 -1.32 -1.26 -5.16 115.64 106.53 1bqp s THR 192 Ca -0.02 -0.68 -0.11 0.00 -1.21 0.00 0.00 61.69 59.68 1bqp s THR 192 Cb -0.06 -0.63 0.02 0.00 -1.51 0.00 0.00 72.50 70.32 1bqp s THR 192 CO 0.00 -0.37 0.27 -0.22 -2.21 0.00 0.00 174.62 172.09 1bqp s LEU 193 N -1.58 0.97 0.03 9.08 2.96 -1.26 -5.17 118.68 123.71 1bqp s LEU 193 Ca -0.12 0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 54.16 1bqp s LEU 193 Cb -0.05 1.00 -0.02 0.00 0.50 0.00 0.00 46.19 47.62 1bqp s LEU 193 CO 0.01 -0.20 -0.01 -0.44 -1.32 0.00 0.00 176.35 174.38 1bqp s SER 194 N -0.34 0.27 -0.20 3.68 0.01 -1.26 -5.16 113.70 110.70 1bqp s SER 194 Ca -0.05 -0.59 -0.31 0.00 1.31 0.00 0.00 55.95 56.32 1bqp s SER 194 Cb -0.03 0.14 0.15 0.00 0.21 0.00 0.00 66.02 66.48 1bqp s SER 194 CO 0.01 -0.38 1.15 -0.62 0.41 0.00 0.00 173.24 173.81 1bqp s ASP 195 N -1.80 -0.22 -0.04 2.44 2.15 -1.26 -5.14 116.67 112.80 1bqp s ASP 195 Ca -0.10 0.19 -0.25 0.00 0.43 0.00 0.00 52.55 52.82 1bqp s ASP 195 Cb -0.06 0.19 -0.04 0.00 -0.30 0.00 0.00 42.92 42.72 1bqp s ASP 195 CO -0.03 -0.23 0.77 0.68 -0.17 0.00 0.00 175.17 176.19 1bqp s VAL 196 N -1.39 4.99 -0.08 1.11 -7.23 -1.26 -5.03 120.40 111.51 1bqp s VAL 196 Ca 0.04 1.60 -0.00 0.00 -1.81 0.00 0.00 61.98 61.81 1bqp s VAL 196 Cb -0.01 -4.11 0.02 0.00 0.56 0.00 0.00 36.38 32.84 1bqp s VAL 196 CO -0.03 0.23 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.26 1bqp s VAL 197 N 0.81 0.67 -1.06 1.32 1.01 -1.26 -5.07 120.40 116.82 1bqp s VAL 197 Ca 0.41 -0.11 -0.17 0.00 0.00 0.00 0.00 61.98 62.11 1bqp s VAL 197 Cb -0.19 -0.73 0.13 0.00 0.00 0.00 0.00 36.38 35.59 1bqp s VAL 197 CO 0.21 0.29 1.32 -0.55 0.00 0.00 0.00 175.10 176.37 1bqp s SER 198 N 1.54 6.78 0.22 3.32 0.15 -1.26 -4.86 113.70 119.59 1bqp s SER 198 Ca -0.00 -2.33 -0.09 0.00 0.70 0.00 0.00 55.95 54.23 1bqp s SER 198 Cb -0.13 -2.43 0.33 0.00 -1.71 0.00 0.00 66.02 62.08 1bqp s SER 198 CO -0.04 -1.02 1.68 -0.07 1.20 0.00 0.00 173.24 174.99 1bqp h LEU 199 N 10.62 -0.15 -1.95 3.45 3.38 -1.98 -0.90 115.31 127.78 1bqp h LEU 199 Ca 0.24 0.14 0.23 0.00 0.09 0.00 0.00 57.88 58.58 1bqp h LEU 199 Cb 0.96 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 1bqp h LEU 199 CO 1.22 -0.07 0.62 0.50 0.09 0.00 0.00 178.44 180.80 1bqp h LYS 200 N 0.18 0.00 0.00 1.13 3.64 -1.89 -1.29 116.57 118.34 1bqp h LYS 200 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1bqp h LYS 200 Cb 0.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1bqp h LYS 200 CO -0.50 0.00 -0.92 -0.25 -2.27 0.00 0.00 179.45 175.51 1bqp n ASP 201 N -4.07 0.65 -0.13 4.20 8.00 -0.35 -4.61 116.55 120.25 1bqp n ASP 201 Ca 0.16 -0.01 -0.27 0.00 0.71 0.00 0.00 54.79 55.38 1bqp n ASP 201 Cb 0.90 0.57 -0.09 0.00 -0.02 0.00 0.00 41.12 42.48 1bqp n ASP 201 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1bqp n VAL 202 N -2.12 1.37 -4.05 2.53 0.31 -0.53 -5.05 118.33 110.79 1bqp n VAL 202 Ca 0.02 -0.36 -0.22 0.00 -0.01 0.00 0.00 64.34 63.77 1bqp n VAL 202 Cb 0.46 -1.82 -0.04 0.00 -0.91 0.00 0.00 33.84 31.53 1bqp n VAL 202 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1bqp s VAL 203 N -2.46 4.77 1.18 2.52 -7.23 -0.93 -5.13 120.40 113.13 1bqp s VAL 203 Ca -0.35 -1.18 -0.18 0.00 -1.81 0.00 0.00 61.98 58.46 1bqp s VAL 203 Cb 0.13 -3.56 0.27 0.00 0.56 0.00 0.00 36.38 33.79 1bqp s VAL 203 CO 0.44 -0.30 1.09 -2.84 -0.31 0.00 0.00 175.10 173.19 1bqp s PRO 204 N -3.75 -1.03 0.24 4.82 0.02 -1.26 -4.77 135.00 129.27 1bqp s PRO 204 Ca 0.33 0.07 0.01 0.00 0.02 0.00 0.00 61.00 61.43 1bqp s PRO 204 Cb -0.09 -1.61 0.27 0.00 0.02 0.00 0.00 34.50 33.10 1bqp s PRO 204 CO 0.26 -3.61 1.61 0.93 -0.33 0.00 0.00 177.00 175.87 1bqp h GLU 205 N -2.51 0.46 -5.46 5.54 5.08 -1.97 -3.42 114.58 112.30 1bqp h GLU 205 Ca -0.47 -0.24 -0.64 0.00 -1.00 0.00 0.00 59.36 57.01 1bqp h GLU 205 Cb 1.31 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.36 1bqp h GLU 205 CO 0.39 0.80 -0.65 -1.58 -1.00 0.00 0.00 179.01 176.97 1bqp s TRP 206 N -4.18 3.06 0.22 4.33 0.52 -1.26 -5.11 118.94 116.52 1bqp s TRP 206 Ca -0.06 -0.16 0.00 0.00 0.02 0.00 0.00 56.10 55.90 1bqp s TRP 206 Cb 0.13 -1.93 -0.04 0.00 -1.15 0.00 0.00 33.47 30.48 1bqp s TRP 206 CO 0.81 0.09 0.15 0.14 0.02 0.00 0.00 176.95 178.16 1bqp s VAL 207 N 0.08 0.02 -0.03 4.03 -7.23 -1.26 -5.15 120.40 110.87 1bqp s VAL 207 Ca 0.00 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.24 1bqp s VAL 207 Cb -0.13 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.29 1bqp s VAL 207 CO 0.02 0.00 -0.23 -0.13 -0.31 0.00 0.00 175.10 174.46 1bqp s ARG 208 N -4.04 2.06 0.13 4.82 0.52 -1.26 -5.14 118.95 116.03 1bqp s ARG 208 Ca 0.39 -0.82 0.05 0.00 -0.52 0.00 0.00 55.73 54.84 1bqp s ARG 208 Cb 0.06 -1.87 -0.04 0.00 0.52 0.00 0.00 34.95 33.62 1bqp s ARG 208 CO 0.15 0.42 0.05 0.96 0.02 0.00 0.00 175.30 176.90 1bqp s ILE 209 N -0.34 4.15 -0.01 1.52 -4.36 -1.26 -5.10 121.20 115.79 1bqp s ILE 209 Ca 0.03 -1.09 -0.10 0.00 -0.26 0.00 0.00 60.65 59.23 1bqp s ILE 209 Cb -0.11 -3.04 0.03 0.00 1.25 0.00 0.00 42.46 40.59 1bqp s ILE 209 CO 0.01 0.00 0.47 0.61 0.24 0.00 0.00 174.94 176.27 1bqp n GLY 210 N 0.14 0.44 3.46 6.27 0.00 -1.26 -5.16 105.19 109.08 1bqp n GLY 210 Ca -0.09 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.75 1bqp n GLY 210 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bqp s PHE 211 N -2.54 2.40 -0.03 1.61 2.99 -1.26 -5.14 117.98 116.01 1bqp s PHE 211 Ca 0.11 -0.32 -0.04 0.00 0.00 0.00 0.00 56.93 56.68 1bqp s PHE 211 Cb -0.00 -1.22 0.01 0.00 0.00 0.00 0.00 43.02 41.81 1bqp s PHE 211 CO -0.00 0.46 0.11 0.45 -0.00 0.00 0.00 175.22 176.24 1bqp s SER 212 N -2.53 -0.08 -0.13 1.36 0.15 -1.26 -5.16 113.70 106.04 1bqp s SER 212 Ca 0.20 0.13 -0.15 0.00 0.70 0.00 0.00 55.95 56.83 1bqp s SER 212 Cb -0.09 0.22 0.04 0.00 -1.71 0.00 0.00 66.02 64.49 1bqp s SER 212 CO 0.10 -0.10 0.41 0.00 1.20 0.00 0.00 173.24 174.85 1bqp s ALA 213 N -0.23 -1.02 0.14 5.45 0.00 -1.26 -5.17 121.76 119.67 1bqp s ALA 213 Ca -0.03 1.07 -0.01 0.00 0.00 0.00 0.00 51.96 52.99 1bqp s ALA 213 Cb -0.02 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 1bqp s ALA 213 CO 0.00 -0.21 0.05 0.95 0.00 0.00 0.00 175.76 176.55 1bqp s THR 214 N -0.02 0.21 0.13 0.00 -4.23 -1.26 -5.10 115.64 105.37 1bqp s THR 214 Ca -0.02 -1.92 0.04 0.00 -1.18 0.00 0.00 61.69 58.61 1bqp s THR 214 Cb -0.03 -2.05 -0.04 0.00 1.34 0.00 0.00 72.50 71.71 1bqp s THR 214 CO 0.01 -0.47 -0.09 0.42 -0.54 0.00 0.00 174.62 173.95 1bqp s THR 215 N -3.97 1.04 0.00 3.99 -4.23 -1.26 -4.88 115.64 106.32 1bqp s THR 215 Ca 0.24 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 1bqp s THR 215 Cb 0.07 -1.78 0.00 0.00 1.34 0.00 0.00 72.50 72.14 1bqp s THR 215 CO 0.02 -0.77 0.00 0.61 -0.54 0.00 0.00 174.62 173.94 1bqp n GLY 216 N -0.11 3.77 0.17 3.99 0.00 -1.26 -4.95 105.19 106.80 1bqp n GLY 216 Ca -0.11 -0.45 0.05 0.00 0.00 0.00 0.00 46.02 45.51 1bqp n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bqp h ALA 217 N 1.00 0.90 -2.23 4.61 0.00 -2.07 -3.43 119.26 118.03 1bqp h ALA 217 Ca 0.00 -0.38 -0.57 0.00 0.00 0.00 0.00 54.91 53.96 1bqp h ALA 217 Cb 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 17.62 1bqp h ALA 217 CO 0.00 0.53 -0.67 -1.21 0.00 0.00 0.00 179.25 177.90 1bqp s GLU 218 N -3.44 2.16 0.29 0.00 2.02 -1.26 -5.15 118.70 113.32 1bqp s GLU 218 Ca 0.01 -1.48 -0.11 0.00 0.02 0.00 0.00 54.97 53.41 1bqp s GLU 218 Cb 0.10 -2.08 0.00 0.00 0.10 0.00 0.00 34.13 32.25 1bqp s GLU 218 CO 0.70 0.36 0.51 1.52 0.02 0.00 0.00 175.26 178.38 1bqp s TYR 219 N -2.34 0.50 -0.08 1.61 1.13 -1.26 -4.67 117.35 112.24 1bqp s TYR 219 Ca 0.31 -0.86 -0.31 0.00 -1.41 0.00 0.00 57.07 54.80 1bqp s TYR 219 Cb -0.06 0.20 0.12 0.00 -1.10 0.00 0.00 41.96 41.12 1bqp s TYR 219 CO 0.19 -1.09 0.99 0.00 -2.51 0.00 0.00 175.55 173.12 1bqp s ALA 220 N -3.60 -1.90 0.15 9.51 0.00 -1.26 -5.10 121.76 119.55 1bqp s ALA 220 Ca 0.23 1.25 -0.22 0.00 0.00 0.00 0.00 51.96 53.23 1bqp s ALA 220 Cb -0.01 0.11 -0.08 0.00 0.00 0.00 0.00 23.12 23.14 1bqp s ALA 220 CO 0.12 -0.61 0.69 0.00 0.00 0.00 0.00 175.76 175.96 1bqp s ALA 221 N -2.65 3.49 -0.15 0.00 0.00 -1.26 -4.92 121.76 116.27 1bqp s ALA 221 Ca 0.05 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.22 1bqp s ALA 221 Cb -0.01 -2.81 0.02 0.00 0.00 0.00 0.00 23.12 20.32 1bqp s ALA 221 CO -0.07 0.34 -0.14 -1.01 0.00 0.00 0.00 175.76 174.88 1bqp s HIS 222 N -1.22 2.23 0.03 0.00 3.76 -1.26 -5.12 115.29 113.71 1bqp s HIS 222 Ca 0.35 -1.27 0.01 0.00 -0.15 0.00 0.00 55.06 53.99 1bqp s HIS 222 Cb -0.20 -1.63 -0.02 0.00 1.11 0.00 0.00 32.58 31.84 1bqp s HIS 222 CO 0.23 -0.69 -0.05 -1.83 -0.85 0.00 0.00 174.74 171.55 1bqp s GLU 223 N 1.47 0.41 -0.07 1.40 -1.05 -1.26 -5.06 118.70 114.53 1bqp s GLU 223 Ca 0.05 -0.70 0.02 0.00 -0.15 0.00 0.00 54.97 54.19 1bqp s GLU 223 Cb -0.13 -0.03 -0.02 0.00 -0.44 0.00 0.00 34.13 33.50 1bqp s GLU 223 CO -0.11 -0.02 -0.13 0.08 0.95 0.00 0.00 175.26 176.04 1bqp s VAL 224 N -1.57 3.17 -0.20 1.83 1.01 -1.26 -5.04 120.40 118.34 1bqp s VAL 224 Ca -0.12 -0.67 0.14 0.00 0.00 0.00 0.00 61.98 61.32 1bqp s VAL 224 Cb -0.09 -2.27 -0.23 0.00 0.00 0.00 0.00 36.38 33.79 1bqp s VAL 224 CO -0.01 0.58 0.05 0.18 0.00 0.00 0.00 175.10 175.90 1bqp n LEU 225 N 2.55 0.78 -3.71 3.92 4.32 -1.26 -5.05 117.00 118.56 1bqp n LEU 225 Ca -0.17 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.73 1bqp n LEU 225 Cb 0.52 0.13 -0.03 0.00 -1.62 0.00 0.00 43.42 42.42 1bqp n LEU 225 CO 0.27 0.60 0.36 -0.94 -1.22 0.00 0.00 177.39 176.45 1bqp s SER 226 N -5.80 -0.33 -0.27 -1.43 1.04 -1.26 -5.17 113.70 100.48 1bqp s SER 226 Ca -0.15 -0.42 -0.17 0.00 0.48 0.00 0.00 55.95 55.69 1bqp s SER 226 Cb 0.07 0.63 0.08 0.00 0.10 0.00 0.00 66.02 66.89 1bqp s SER 226 CO 0.78 -1.12 0.68 0.86 0.98 0.00 0.00 173.24 175.41 1bqp s TRP 227 N -3.86 -1.00 0.04 5.02 -0.00 -1.26 -5.16 118.94 112.72 1bqp s TRP 227 Ca 0.08 2.06 0.04 0.00 -0.00 0.00 0.00 56.10 58.28 1bqp s TRP 227 Cb -0.02 0.57 -0.02 0.00 -0.00 0.00 0.00 33.47 33.99 1bqp s TRP 227 CO -0.02 -0.50 -0.11 -1.54 -0.00 0.00 0.00 176.95 174.78 1bqp s SER 228 N 1.46 1.26 -0.05 5.86 1.04 -1.26 -5.15 113.70 116.86 1bqp s SER 228 Ca -0.09 -0.49 -0.12 0.00 0.48 0.00 0.00 55.95 55.73 1bqp s SER 228 Cb -0.05 -0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.05 1bqp s SER 228 CO -0.17 -0.08 0.27 0.12 0.98 0.00 0.00 173.24 174.37 1bqp s PHE 229 N -1.07 -0.20 -0.21 5.02 5.36 -1.26 -5.15 117.98 120.47 1bqp s PHE 229 Ca -0.03 0.41 -0.11 0.00 -0.96 0.00 0.00 56.93 56.23 1bqp s PHE 229 Cb -0.09 0.08 0.07 0.00 -0.34 0.00 0.00 43.02 42.74 1bqp s PHE 229 CO 0.01 -0.28 0.50 -1.58 -1.46 0.00 0.00 175.22 172.41 1bqp s HIS 230 N -0.74 -0.78 0.12 10.12 5.65 -1.26 -5.16 115.29 123.24 1bqp s HIS 230 Ca -0.08 1.59 0.06 0.00 0.25 0.00 0.00 55.06 56.88 1bqp s HIS 230 Cb -0.04 0.40 -0.04 0.00 -1.18 0.00 0.00 32.58 31.72 1bqp s HIS 230 CO 0.02 -0.42 -0.14 -1.54 -0.65 0.00 0.00 174.74 172.01 1bqp s SER 231 N 1.61 2.01 -0.15 9.88 1.04 -1.26 -5.14 113.70 121.70 1bqp s SER 231 Ca -0.09 -0.79 -0.04 0.00 0.48 0.00 0.00 55.95 55.51 1bqp s SER 231 Cb -0.08 -0.07 0.07 0.00 0.10 0.00 0.00 66.02 66.04 1bqp s SER 231 CO -0.15 -0.13 0.23 -0.70 0.98 0.00 0.00 173.24 173.47 1bqp s GLU 232 N -2.56 0.14 -0.09 4.02 2.12 -1.26 -5.13 118.70 115.94 1bqp s GLU 232 Ca 0.08 0.48 0.02 0.00 0.36 0.00 0.00 54.97 55.91 1bqp s GLU 232 Cb -0.06 -0.58 -0.02 0.00 0.26 0.00 0.00 34.13 33.74 1bqp s GLU 232 CO 0.03 -0.45 -0.16 -1.17 -0.54 0.00 0.00 175.26 172.97 1bqp s LEU 233 N 2.36 2.60 0.00 2.70 2.96 -1.26 -5.36 118.68 122.68 1bqp s LEU 233 Ca 0.04 -0.32 0.20 0.00 -0.22 0.00 0.00 54.13 53.83 1bqp s LEU 233 Cb -0.14 -1.55 0.16 0.00 0.50 0.00 0.00 46.19 45.17 1bqp s LEU 233 CO -0.09 0.24 1.13 -1.20 -1.32 0.00 0.00 176.35 175.11