#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r8u h ASP 221 N 0.00 0.48 -4.16 8.00 3.58 -2.14 -3.46 116.42 118.72 1r8u h ASP 221 Ca 0.00 -0.29 -0.48 0.00 0.42 0.00 0.00 57.03 56.68 1r8u h ASP 221 Cb 0.00 -0.14 0.13 0.00 1.72 0.00 0.00 39.33 41.04 1r8u h ASP 221 CO 0.00 1.00 0.28 0.12 -2.88 0.00 0.00 179.24 177.77 1r8u s PHE 222 N -3.76 2.51 0.84 0.28 5.36 -1.26 -5.05 117.98 116.91 1r8u s PHE 222 Ca -0.06 1.10 -0.13 0.00 -0.96 0.00 0.00 56.93 56.88 1r8u s PHE 222 Cb 0.11 -3.21 0.08 0.00 -0.34 0.00 0.00 43.02 39.67 1r8u s PHE 222 CO 0.83 -2.23 1.07 -0.89 -1.46 0.00 0.00 175.22 172.54 1r8u n ILE 223 N -3.74 1.45 -4.32 3.12 5.41 -1.26 -5.07 119.36 114.95 1r8u n ILE 223 Ca 0.07 -0.18 -0.20 0.00 1.00 0.00 0.00 62.75 63.44 1r8u n ILE 223 Cb 0.57 -1.08 -0.11 0.00 -0.71 0.00 0.00 39.64 38.31 1r8u n ILE 223 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1r8u s ASP 224 N -2.16 2.52 0.33 4.38 2.15 -1.26 -5.06 116.67 117.57 1r8u s ASP 224 Ca 0.70 -0.91 0.03 0.00 0.43 0.00 0.00 52.55 52.81 1r8u s ASP 224 Cb -0.28 -0.13 0.64 0.00 -0.30 0.00 0.00 42.92 42.85 1r8u s ASP 224 CO 0.54 -0.10 1.93 1.05 -0.17 0.00 0.00 175.17 178.42 1r8u h GLU 225 N 3.06 0.86 0.00 4.34 4.11 -2.00 -1.50 114.58 123.45 1r8u h GLU 225 Ca -0.40 -0.05 -0.08 0.00 0.07 0.00 0.00 59.36 58.90 1r8u h GLU 225 Cb 1.21 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1r8u h GLU 225 CO 0.55 0.57 -0.36 0.93 0.07 0.00 0.00 179.01 180.77 1r8u h GLU 226 N 0.89 0.00 -0.26 1.06 5.08 -1.98 -1.57 114.58 117.79 1r8u h GLU 226 Ca 0.36 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.65 1r8u h GLU 226 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1r8u h GLU 226 CO -0.13 0.36 -0.12 0.28 -1.00 0.00 0.00 179.01 178.40 1r8u h VAL 227 N 0.00 1.30 -0.46 3.13 2.07 -1.70 -0.71 116.25 119.87 1r8u h VAL 227 Ca -0.00 -1.20 -0.10 0.00 0.82 0.00 0.00 66.70 66.21 1r8u h VAL 227 Cb 0.82 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1r8u h VAL 227 CO 0.05 0.38 -0.10 -0.07 0.02 0.00 0.00 177.57 177.84 1r8u h LEU 228 N 0.27 0.89 -1.32 2.57 -0.00 -1.29 -1.88 115.31 114.54 1r8u h LEU 228 Ca 0.06 -0.36 -0.01 0.00 -0.00 0.00 0.00 57.88 57.57 1r8u h LEU 228 Cb 0.63 -0.24 -0.03 0.00 -0.00 0.00 0.00 40.66 41.02 1r8u h LEU 228 CO 0.04 1.04 0.34 0.24 -0.00 0.00 0.00 178.44 180.10 1r8u h MET 229 N 0.73 0.81 -0.61 1.13 2.86 -1.23 0.99 114.93 119.60 1r8u h MET 229 Ca 0.12 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.60 1r8u h MET 229 Cb 0.65 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 1r8u h MET 229 CO 0.04 0.58 0.04 0.77 1.06 0.00 0.00 176.91 179.40 1r8u h SER 230 N 0.82 1.03 0.24 1.22 0.02 -0.92 -2.29 113.55 113.67 1r8u h SER 230 Ca 0.21 -0.29 -0.14 0.00 -0.84 0.00 0.00 61.79 60.73 1r8u h SER 230 Cb -0.01 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 1r8u h SER 230 CO -0.04 1.07 -0.54 0.25 -1.14 0.00 0.00 176.83 176.43 1r8u h LEU 231 N 0.96 0.36 -0.60 5.07 6.46 -0.53 -0.06 115.31 126.97 1r8u h LEU 231 Ca 0.18 -0.19 0.04 0.00 -0.12 0.00 0.00 57.88 57.79 1r8u h LEU 231 Cb 0.52 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.30 1r8u h LEU 231 CO 0.02 0.83 0.34 0.58 -0.62 0.00 0.00 178.44 179.60 1r8u h VAL 232 N 0.25 1.02 -0.29 1.05 2.07 -0.70 0.10 116.25 119.75 1r8u h VAL 232 Ca 0.00 -0.23 -0.18 0.00 0.82 0.00 0.00 66.70 67.12 1r8u h VAL 232 Cb 1.03 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1r8u h VAL 232 CO 0.09 0.12 -0.52 0.40 0.02 0.00 0.00 177.57 177.68 1r8u h ILE 233 N 0.66 1.28 -0.50 4.57 2.04 -1.24 0.58 117.51 124.90 1r8u h ILE 233 Ca 0.25 -1.70 0.00 0.00 1.00 0.00 0.00 64.86 64.41 1r8u h ILE 233 Cb 0.09 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1r8u h ILE 233 CO -0.13 0.56 0.32 -0.08 0.00 0.00 0.00 178.15 178.82 1r8u h GLU 234 N 0.65 0.67 0.00 2.37 4.57 -0.64 -2.94 114.58 119.26 1r8u h GLU 234 Ca 0.02 -0.05 -0.16 0.00 -1.18 0.00 0.00 59.36 57.99 1r8u h GLU 234 Cb 1.13 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.55 1r8u h GLU 234 CO 0.12 0.46 -0.76 0.52 -1.18 0.00 0.00 179.01 178.16 1r8u h MET 235 N 0.68 0.00 -0.30 1.92 2.86 -1.01 -3.49 114.93 115.59 1r8u h MET 235 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1r8u h MET 235 Cb -0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1r8u h MET 235 CO -0.04 0.76 0.00 0.41 1.06 0.00 0.00 176.91 179.10 1r8u n GLY 236 N 0.96 0.55 0.03 8.32 0.00 0.08 -4.97 105.19 110.16 1r8u n GLY 236 Ca 0.00 -0.82 0.05 0.00 0.00 0.00 0.00 46.02 45.25 1r8u n GLY 236 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1r8u n LEU 237 N -0.15 0.13 0.26 0.99 4.77 -0.50 -2.03 117.00 120.47 1r8u n LEU 237 Ca 0.00 0.55 0.18 0.00 -0.03 0.00 0.00 56.01 56.70 1r8u n LEU 237 Cb 0.50 -0.54 0.81 0.00 -2.33 0.00 0.00 43.42 41.85 1r8u n LEU 237 CO 0.00 -0.46 1.01 -2.24 -1.33 0.00 0.00 177.39 174.37 1r8u h ASP 238 N 0.00 0.00 0.91 -1.43 2.03 -1.94 -2.84 116.42 113.15 1r8u h ASP 238 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1r8u h ASP 238 Cb 0.13 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.63 1r8u h ASP 238 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 178.75 1r8u n ARG 239 N -2.86 0.01 -0.75 4.15 1.74 -0.86 -4.90 116.66 113.17 1r8u n ARG 239 Ca -0.00 0.05 -0.30 0.00 -0.77 0.00 0.00 57.85 56.82 1r8u n ARG 239 Cb 0.19 -1.51 0.17 0.00 -1.02 0.00 0.00 32.46 30.30 1r8u n ARG 239 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1r8u s ILE 240 N -3.00 2.22 0.00 0.55 -1.09 -1.08 -5.00 121.20 113.80 1r8u s ILE 240 Ca 0.13 0.07 0.00 0.00 -2.23 0.00 0.00 60.65 58.62 1r8u s ILE 240 Cb 0.17 -2.17 0.00 0.00 -1.58 0.00 0.00 42.46 38.88 1r8u s ILE 240 CO 0.48 -0.09 0.00 1.17 -1.23 0.00 0.00 174.94 175.27 1r8u n LYS 241 N -4.28 0.00 -3.81 2.79 3.00 -1.26 -5.10 118.16 109.50 1r8u n LYS 241 Ca 0.10 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.28 1r8u n LYS 241 Cb 0.53 -0.44 -0.13 0.00 0.00 0.00 0.00 35.03 34.98 1r8u n LYS 241 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1r8u s GLU 242 N -1.42 0.11 -0.07 1.64 2.02 -1.26 -5.14 118.70 114.56 1r8u s GLU 242 Ca 0.00 0.19 -0.30 0.00 0.02 0.00 0.00 54.97 54.89 1r8u s GLU 242 Cb 0.00 -0.00 -0.03 0.00 0.10 0.00 0.00 34.13 34.19 1r8u s GLU 242 CO 0.00 -0.05 1.30 -1.17 0.02 0.00 0.00 175.26 175.35 1r8u s LEU 243 N 0.33 4.26 0.87 1.80 2.96 -1.26 -5.03 118.68 122.62 1r8u s LEU 243 Ca -0.02 1.88 -0.12 0.00 -0.22 0.00 0.00 54.13 55.65 1r8u s LEU 243 Cb -0.04 -3.55 0.11 0.00 0.50 0.00 0.00 46.19 43.22 1r8u s LEU 243 CO -0.01 -0.69 1.10 -2.16 -1.32 0.00 0.00 176.35 173.27 1r8u s PRO 244 N 2.75 1.48 0.39 0.98 0.04 -1.26 -5.05 135.00 134.33 1r8u s PRO 244 Ca 0.59 0.63 -0.14 0.00 0.04 0.00 0.00 61.00 62.11 1r8u s PRO 244 Cb -0.26 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 1r8u s PRO 244 CO 0.21 -2.04 0.80 -1.21 0.04 0.00 0.00 177.00 174.81 1r8u s GLU 245 N -5.08 3.92 -0.02 4.56 2.02 -1.26 -5.10 118.70 117.73 1r8u s GLU 245 Ca 0.63 0.66 -0.10 0.00 0.02 0.00 0.00 54.97 56.18 1r8u s GLU 245 Cb -0.16 -2.35 0.01 0.00 0.10 0.00 0.00 34.13 31.73 1r8u s GLU 245 CO 0.55 -0.00 0.21 -0.51 0.02 0.00 0.00 175.26 175.53 1r8u s LEU 246 N -3.52 1.25 -0.41 1.80 1.02 -1.26 -5.12 118.68 112.44 1r8u s LEU 246 Ca 0.54 -0.01 0.10 0.00 0.02 0.00 0.00 54.13 54.79 1r8u s LEU 246 Cb -0.10 0.89 0.33 0.00 0.02 0.00 0.00 46.19 47.33 1r8u s LEU 246 CO 0.25 -0.35 0.71 0.79 0.02 0.00 0.00 176.35 177.77 1r8u n TRP 247 N 1.62 0.62 0.32 0.29 7.02 -1.26 -4.96 117.44 121.08 1r8u n TRP 247 Ca -0.21 -3.80 0.19 0.00 -1.02 0.00 0.00 57.50 52.67 1r8u n TRP 247 Cb 0.56 -0.42 1.04 0.00 -2.42 0.00 0.00 31.31 30.07 1r8u n TRP 247 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 1r8u h LEU 248 N 3.24 0.00 0.00 -0.99 4.07 -2.00 -1.63 115.31 117.99 1r8u h LEU 248 Ca 0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1r8u h LEU 248 Cb 0.89 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.63 1r8u h LEU 248 CO 0.54 0.00 -0.30 0.61 -1.08 0.00 0.00 178.44 178.21 1r8u n GLY 249 N -1.14 -1.50 3.80 0.83 0.00 -1.26 -4.74 105.19 101.17 1r8u n GLY 249 Ca -0.03 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 1r8u n GLY 249 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r8u s GLN 250 N -3.10 2.75 0.62 1.61 -1.52 -0.61 -5.02 119.66 114.39 1r8u s GLN 250 Ca 0.10 -1.20 0.39 0.00 -1.95 0.00 0.00 55.36 52.70 1r8u s GLN 250 Cb 0.14 -2.46 2.09 0.00 -0.22 0.00 0.00 33.01 32.57 1r8u s GLN 250 CO 0.65 0.30 2.27 -0.97 -0.25 0.00 0.00 175.29 177.29 1r8u h ASN 251 N 1.50 0.00 -0.37 5.90 -1.24 -1.91 -3.05 115.58 116.41 1r8u h ASN 251 Ca -0.47 0.00 0.09 0.00 0.71 0.00 0.00 56.30 56.63 1r8u h ASN 251 Cb 1.24 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.28 1r8u h ASN 251 CO 0.60 0.01 0.26 -0.33 -1.29 0.00 0.00 177.43 176.68 1r8u h GLU 252 N 0.00 0.10 -1.42 6.67 5.08 -1.96 -3.35 114.58 119.71 1r8u h GLU 252 Ca -0.00 -0.01 -0.34 0.00 -1.00 0.00 0.00 59.36 58.01 1r8u h GLU 252 Cb 0.11 -0.02 -0.25 0.00 0.50 0.00 0.00 28.75 29.08 1r8u h GLU 252 CO 0.00 0.07 -0.71 0.34 -1.00 0.00 0.00 179.01 177.71 1r8u n PHE 253 N -4.45 -2.50 -2.17 4.33 7.35 -1.15 -5.04 117.46 113.82 1r8u n PHE 253 Ca 0.05 -2.26 -0.42 0.00 -0.76 0.00 0.00 57.45 54.07 1r8u n PHE 253 Cb 0.37 0.92 -0.01 0.00 0.35 0.00 0.00 39.48 41.12 1r8u n PHE 253 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1r8u n ASP 254 N 2.60 4.32 -0.62 -2.13 -0.08 -1.26 -4.18 116.55 115.20 1r8u n ASP 254 Ca 0.21 -2.87 0.48 0.00 -1.51 0.00 0.00 54.79 51.11 1r8u n ASP 254 Cb 0.54 -1.69 0.78 0.00 2.34 0.00 0.00 41.12 43.09 1r8u n ASP 254 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 1r8u h PHE 255 N 7.16 0.16 0.00 -0.67 -0.00 -1.93 -0.34 116.94 121.33 1r8u h PHE 255 Ca 0.48 0.01 -0.06 0.00 -0.00 0.00 0.00 57.97 58.40 1r8u h PHE 255 Cb 0.78 -0.04 -0.13 0.00 -0.00 0.00 0.00 35.95 36.57 1r8u h PHE 255 CO 1.42 -0.08 -0.66 -1.33 -0.00 0.00 0.00 178.31 177.66 1r8u n MET 256 N -4.20 1.02 0.00 6.09 2.81 -1.26 -5.03 117.12 116.56 1r8u n MET 256 Ca 0.42 -2.81 0.00 0.00 -1.81 0.00 0.00 57.70 53.51 1r8u n MET 256 Cb 1.83 -1.06 0.00 0.00 -0.71 0.00 0.00 33.22 33.28 1r8u n MET 256 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1r8u n THR 257 N -0.58 0.00 -2.46 2.03 -1.04 -0.14 -0.99 114.28 111.10 1r8u n THR 257 Ca 0.14 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.17 1r8u n THR 257 Cb 0.84 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.36 1r8u n THR 257 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1r8u n ASP 258 N -0.26 0.75 -1.86 8.00 2.03 -1.26 -4.92 116.55 119.03 1r8u n ASP 258 Ca 0.00 -2.00 -0.09 0.00 0.52 0.00 0.00 54.79 53.22 1r8u n ASP 258 Cb 0.00 -0.22 0.26 0.00 -0.72 0.00 0.00 41.12 40.44 1r8u n ASP 258 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1r8u n PHE 259 N 0.33 2.30 -1.90 -0.67 3.72 -0.16 -4.06 117.46 117.02 1r8u n PHE 259 Ca 0.01 -1.37 -0.04 0.00 -0.05 0.00 0.00 57.45 56.00 1r8u n PHE 259 Cb 1.06 -0.69 0.12 0.00 -0.94 0.00 0.00 39.48 39.03 1r8u n PHE 259 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1r8u n VAL 260 N -0.53 2.00 0.00 -4.37 0.24 -1.26 -4.97 118.33 109.44 1r8u n VAL 260 Ca 0.43 -3.27 0.00 0.00 -2.04 0.00 0.00 64.34 59.46 1r8u n VAL 260 Cb 1.37 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 33.47 1r8u n VAL 260 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1r8u n LYS 262 N 0.36 0.23 -0.84 0.00 5.02 -1.26 -4.89 118.16 116.78 1r8u n LYS 262 Ca 0.00 0.11 -0.30 0.00 -2.02 0.00 0.00 58.31 56.11 1r8u n LYS 262 Cb 0.00 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 33.69 1r8u n LYS 262 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1r8u s GLN 263 N -2.35 0.63 -0.01 1.97 1.11 -1.26 -5.09 119.66 114.65 1r8u s GLN 263 Ca 0.13 1.12 -0.00 0.00 0.01 0.00 0.00 55.36 56.61 1r8u s GLN 263 Cb 0.07 -1.71 0.02 0.00 -1.01 0.00 0.00 33.01 30.38 1r8u s GLN 263 CO 0.15 -2.76 0.02 -1.14 0.01 0.00 0.00 175.29 171.57 1r8u s GLN 264 N -4.70 -0.02 0.83 2.91 0.74 -1.26 -5.17 119.66 113.00 1r8u s GLN 264 Ca 0.66 0.12 -0.10 0.00 0.05 0.00 0.00 55.36 56.08 1r8u s GLN 264 Cb -0.22 -0.14 0.09 0.00 1.10 0.00 0.00 33.01 33.84 1r8u s GLN 264 CO 0.59 -0.10 1.11 -1.25 -0.55 0.00 0.00 175.29 175.09 1r8u s PRO 265 N 0.64 1.75 0.00 1.67 0.04 -1.26 -4.98 135.00 132.86 1r8u s PRO 265 Ca -0.05 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1r8u s PRO 265 Cb -0.08 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1r8u s PRO 265 CO -0.02 -2.02 0.00 -1.13 0.04 0.00 0.00 177.00 173.87 1r8u n SER 266 N -3.79 0.00 -2.54 6.66 3.41 -1.26 -4.99 113.62 111.11 1r8u n SER 266 Ca 0.10 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1r8u n SER 266 Cb 0.53 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.52 1r8u n SER 266 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1r8u n ARG 267 N -0.23 1.48 0.04 4.33 0.63 -1.26 -4.92 116.66 116.73 1r8u n ARG 267 Ca 0.00 -3.25 0.10 0.00 -0.92 0.00 0.00 57.85 53.78 1r8u n ARG 267 Cb 0.00 -1.33 0.42 0.00 0.45 0.00 0.00 32.46 31.99 1r8u n ARG 267 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1r8u n VAL 268 N -0.40 0.75 -0.83 5.15 0.24 -1.26 -5.34 118.33 116.63 1r8u n VAL 268 Ca 0.08 0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.54 1r8u n VAL 268 Cb 0.87 -0.91 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 1r8u n VAL 268 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49