#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 0.41 -4.11 8.00 3.58 -2.14 -3.46 116.42 118.70 1r8u h ASP 221 Ca 0.00 -0.17 -0.46 0.00 0.42 0.00 0.00 57.03 56.82 1r8u h ASP 221 Cb 0.00 -0.11 0.11 0.00 1.72 0.00 0.00 39.33 41.04 1r8u h ASP 221 CO 0.00 0.77 0.34 0.12 -2.88 0.00 0.00 179.24 177.59 1r8u s PHE 222 N -4.20 2.59 0.82 0.28 5.36 -1.26 -5.07 117.98 116.51 1r8u s PHE 222 Ca -0.06 0.52 -0.13 0.00 -0.96 0.00 0.00 56.93 56.29 1r8u s PHE 222 Cb 0.13 -3.51 0.06 0.00 -0.34 0.00 0.00 43.02 39.36 1r8u s PHE 222 CO 0.79 -1.84 0.98 -0.89 -1.46 0.00 0.00 175.22 172.80 1r8u n ILE 223 N -3.27 1.54 -4.22 3.12 5.41 -1.26 -5.08 119.36 115.60 1r8u n ILE 223 Ca 0.10 -0.22 -0.13 0.00 1.00 0.00 0.00 62.75 63.50 1r8u n ILE 223 Cb 0.60 -1.03 -0.10 0.00 -0.71 0.00 0.00 39.64 38.41 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 -2.04 1.31 0.28 4.38 2.15 -1.26 -5.05 116.67 116.43 1r8u s ASP 224 Ca 0.69 -1.10 0.00 0.00 0.43 0.00 0.00 52.55 52.58 1r8u s ASP 224 Cb -0.28 0.09 0.51 0.00 -0.30 0.00 0.00 42.92 42.93 1r8u s ASP 224 CO 0.55 -0.50 1.86 1.05 -0.17 0.00 0.00 175.17 177.96 1r8u h GLU 225 N 2.78 1.03 0.00 4.34 4.11 -2.00 -1.17 114.58 123.67 1r8u h GLU 225 Ca -0.36 -0.06 -0.04 0.00 0.07 0.00 0.00 59.36 58.96 1r8u h GLU 225 Cb 1.19 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1r8u h GLU 225 CO 0.63 0.68 -0.21 0.93 0.07 0.00 0.00 179.01 181.12 1r8u h GLU 226 N 1.06 0.00 -0.30 1.06 5.08 -1.98 -1.23 114.58 118.28 1r8u h GLU 226 Ca 0.47 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.70 1r8u h GLU 226 Cb 0.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1r8u h GLU 226 CO -0.23 0.21 -0.32 0.28 -1.00 0.00 0.00 179.01 177.95 1r8u h VAL 227 N 0.00 1.30 -0.35 3.13 2.07 -1.63 -0.09 116.25 120.67 1r8u h VAL 227 Ca -0.00 -1.50 -0.10 0.00 0.82 0.00 0.00 66.70 65.92 1r8u h VAL 227 Cb 0.70 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 1r8u h VAL 227 CO 0.03 0.48 -0.19 -0.07 0.02 0.00 0.00 177.57 177.84 1r8u h LEU 228 N 0.50 0.77 -1.63 2.57 -0.00 -1.25 -2.34 115.31 113.93 1r8u h LEU 228 Ca 0.04 -0.41 0.00 0.00 -0.00 0.00 0.00 57.88 57.51 1r8u h LEU 228 Cb 0.90 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 41.33 1r8u h LEU 228 CO 0.08 1.02 0.22 0.24 -0.00 0.00 0.00 178.44 179.99 1r8u h MET 229 N 0.53 0.46 -0.44 1.13 2.86 -1.15 0.65 114.93 118.98 1r8u h MET 229 Ca 0.08 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.57 1r8u h MET 229 Cb 0.73 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 1r8u h MET 229 CO 0.05 0.32 -0.19 0.77 1.06 0.00 0.00 176.91 178.93 1r8u h SER 230 N 0.47 0.93 0.26 1.22 0.02 -0.86 -2.42 113.55 113.18 1r8u h SER 230 Ca 0.13 -0.39 -0.13 0.00 -0.84 0.00 0.00 61.79 60.56 1r8u h SER 230 Cb -0.03 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 1r8u h SER 230 CO -0.03 1.12 -0.50 0.25 -1.14 0.00 0.00 176.83 176.53 1r8u h LEU 231 N 0.74 0.30 -0.38 5.07 6.46 -0.78 -0.28 115.31 126.44 1r8u h LEU 231 Ca 0.10 -0.14 0.04 0.00 -0.12 0.00 0.00 57.88 57.76 1r8u h LEU 231 Cb 0.75 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.56 1r8u h LEU 231 CO 0.06 0.75 0.16 0.58 -0.62 0.00 0.00 178.44 179.36 1r8u h VAL 232 N 0.22 0.93 -0.40 1.05 2.07 -0.82 0.07 116.25 119.37 1r8u h VAL 232 Ca 0.01 -0.11 -0.10 0.00 0.82 0.00 0.00 66.70 67.31 1r8u h VAL 232 Cb 0.96 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1r8u h VAL 232 CO 0.08 0.06 -0.15 0.40 0.02 0.00 0.00 177.57 177.97 1r8u h ILE 233 N 0.33 1.28 -0.48 4.57 2.04 -1.25 0.00 117.51 124.00 1r8u h ILE 233 Ca 0.17 -1.28 0.01 0.00 1.00 0.00 0.00 64.86 64.77 1r8u h ILE 233 Cb 0.12 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 1r8u h ILE 233 CO -0.15 0.43 0.30 -0.08 0.00 0.00 0.00 178.15 178.65 1r8u h GLU 234 N 0.62 0.59 0.00 2.37 4.57 -0.70 -2.75 114.58 119.28 1r8u h GLU 234 Ca 0.09 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1r8u h GLU 234 Cb 0.70 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1r8u h GLU 234 CO 0.05 0.39 0.00 0.52 -1.18 0.00 0.00 179.01 178.79 1r8u h MET 235 N 0.61 0.00 -0.79 1.92 2.86 -0.98 -3.48 114.93 115.06 1r8u h MET 235 Ca 0.19 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.72 1r8u h MET 235 Cb -0.03 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.63 1r8u h MET 235 CO -0.06 0.00 -0.13 0.41 1.06 0.00 0.00 176.91 178.18 1r8u n GLY 236 N 0.99 0.18 0.10 8.32 0.00 -0.15 -4.95 105.19 109.68 1r8u n GLY 236 Ca 0.04 -0.66 0.09 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.77 0.43 0.28 0.99 4.77 -0.37 -2.03 117.00 120.30 1r8u n LEU 237 Ca -0.06 0.65 0.19 0.00 -0.03 0.00 0.00 56.01 56.76 1r8u n LEU 237 Cb 0.54 -0.64 0.91 0.00 -2.33 0.00 0.00 43.42 41.90 1r8u n LEU 237 CO 0.07 -0.65 1.05 -2.24 -1.33 0.00 0.00 177.39 174.30 1r8u h ASP 238 N 0.00 0.00 0.52 -1.43 2.03 -1.93 -2.59 116.42 113.01 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 0.16 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.66 1r8u h ASP 238 CO 0.00 0.00 -0.11 0.54 -1.03 0.00 0.00 179.24 178.64 1r8u n ARG 239 N -2.89 0.45 -0.94 4.15 1.74 -0.86 -4.93 116.66 113.38 1r8u n ARG 239 Ca -0.01 -0.13 -0.32 0.00 -0.77 0.00 0.00 57.85 56.62 1r8u n ARG 239 Cb 0.15 -1.50 0.14 0.00 -1.02 0.00 0.00 32.46 30.23 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 -2.63 2.10 0.00 0.55 -1.09 -0.98 -4.99 121.20 114.16 1r8u s ILE 240 Ca 0.25 0.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.70 1r8u s ILE 240 Cb 0.20 -2.27 0.00 0.00 -1.58 0.00 0.00 42.46 38.81 1r8u s ILE 240 CO 0.50 -0.04 0.00 1.17 -1.23 0.00 0.00 174.94 175.35 1r8u n LYS 241 N -3.72 0.00 -3.80 2.79 4.81 -1.26 -5.09 118.16 111.89 1r8u n LYS 241 Ca 0.13 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.44 1r8u n LYS 241 Cb 0.51 -0.50 -0.13 0.00 0.02 0.00 0.00 35.03 34.93 1r8u n LYS 241 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1r8u s GLU 242 N -1.54 0.18 -0.11 1.64 0.41 -1.26 -5.15 118.70 112.87 1r8u s GLU 242 Ca 0.00 0.28 -0.30 0.00 -0.41 0.00 0.00 54.97 54.54 1r8u s GLU 242 Cb 0.00 0.04 -0.02 0.00 -1.78 0.00 0.00 34.13 32.37 1r8u s GLU 242 CO 0.00 -0.05 1.24 -1.17 -0.49 0.00 0.00 175.26 174.79 1r8u s LEU 243 N 0.33 4.23 0.89 1.80 2.96 -1.26 -5.04 118.68 122.59 1r8u s LEU 243 Ca -0.02 1.76 -0.12 0.00 -0.22 0.00 0.00 54.13 55.53 1r8u s LEU 243 Cb -0.03 -3.55 0.13 0.00 0.50 0.00 0.00 46.19 43.24 1r8u s LEU 243 CO -0.01 -0.68 1.12 -2.16 -1.32 0.00 0.00 176.35 173.30 1r8u s PRO 244 N 2.90 1.31 0.35 0.98 0.04 -1.26 -5.07 135.00 134.25 1r8u s PRO 244 Ca 0.56 0.41 -0.10 0.00 0.04 0.00 0.00 61.00 61.91 1r8u s PRO 244 Cb -0.23 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.39 1r8u s PRO 244 CO 0.18 -2.11 0.69 -1.21 0.04 0.00 0.00 177.00 174.60 1r8u s GLU 245 N -5.21 3.78 -0.05 4.56 2.02 -1.26 -5.11 118.70 117.44 1r8u s GLU 245 Ca 0.63 0.37 -0.09 0.00 0.02 0.00 0.00 54.97 55.91 1r8u s GLU 245 Cb -0.15 -2.48 0.02 0.00 0.10 0.00 0.00 34.13 31.61 1r8u s GLU 245 CO 0.54 0.09 0.21 -0.51 0.02 0.00 0.00 175.26 175.61 1r8u s LEU 246 N -3.52 1.24 -0.50 1.80 1.02 -1.26 -5.11 118.68 112.35 1r8u s LEU 246 Ca 0.50 0.18 0.08 0.00 0.02 0.00 0.00 54.13 54.91 1r8u s LEU 246 Cb -0.10 0.80 0.33 0.00 0.02 0.00 0.00 46.19 47.24 1r8u s LEU 246 CO 0.28 -0.22 0.82 0.79 0.02 0.00 0.00 176.35 178.03 1r8u n TRP 247 N 2.24 2.30 0.30 0.29 7.02 -1.26 -4.91 117.44 123.41 1r8u n TRP 247 Ca -0.17 -3.92 0.19 0.00 -1.02 0.00 0.00 57.50 52.58 1r8u n TRP 247 Cb 0.57 -0.46 1.01 0.00 -2.42 0.00 0.00 31.31 30.01 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 3.19 0.00 -0.70 -0.99 4.07 -2.00 -1.86 115.31 117.03 1r8u h LEU 248 Ca 0.12 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1r8u h LEU 248 Cb 0.71 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.45 1r8u h LEU 248 CO 0.68 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.65 1r8u n GLY 249 N -1.23 -0.16 3.22 0.83 0.00 -1.26 -4.77 105.19 101.82 1r8u n GLY 249 Ca -0.02 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.82 0.97 0.58 1.61 -0.21 -0.70 -5.05 119.66 115.05 1r8u s GLN 250 Ca 0.24 -1.30 0.28 0.00 0.02 0.00 0.00 55.36 54.60 1r8u s GLN 250 Cb 0.12 -0.63 1.62 0.00 1.00 0.00 0.00 33.01 35.12 1r8u s GLN 250 CO 0.18 0.09 2.08 -0.97 -2.12 0.00 0.00 175.29 174.56 1r8u h ASN 251 N 3.22 0.00 -0.16 5.90 -1.24 -1.90 -2.71 115.58 118.69 1r8u h ASN 251 Ca -0.37 0.00 0.05 0.00 0.71 0.00 0.00 56.30 56.68 1r8u h ASN 251 Cb 1.19 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.23 1r8u h ASN 251 CO 0.57 0.00 0.12 -0.33 -1.29 0.00 0.00 177.43 176.50 1r8u h GLU 252 N 0.00 0.00 -1.85 6.67 5.08 -1.97 -3.35 114.58 119.15 1r8u h GLU 252 Ca 0.10 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 58.03 1r8u h GLU 252 Cb 0.55 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 29.50 1r8u h GLU 252 CO -0.00 0.00 -0.80 0.34 -1.00 0.00 0.00 179.01 177.54 1r8u n PHE 253 N -4.40 -1.99 -1.53 4.33 7.35 -1.02 -5.02 117.46 115.20 1r8u n PHE 253 Ca 0.01 -2.61 -0.40 0.00 -0.76 0.00 0.00 57.45 53.70 1r8u n PHE 253 Cb 0.25 0.70 -0.02 0.00 0.35 0.00 0.00 39.48 40.76 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 2.84 8.13 -0.09 -2.13 -0.08 -1.26 -4.18 116.55 119.79 1r8u n ASP 254 Ca 0.25 -2.74 0.08 0.00 -1.51 0.00 0.00 54.79 50.88 1r8u n ASP 254 Cb 0.51 -1.52 0.15 0.00 2.34 0.00 0.00 41.12 42.60 1r8u n ASP 254 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1r8u n PHE 255 N 3.37 0.24 -2.19 -0.67 -1.74 -1.26 -1.25 117.46 113.96 1r8u n PHE 255 Ca 0.72 0.24 0.02 0.00 -0.56 0.00 0.00 57.45 57.88 1r8u n PHE 255 Cb 0.25 -0.67 0.02 0.00 1.52 0.00 0.00 39.48 40.60 1r8u n PHE 255 CO 0.00 0.00 0.00 -0.12 -0.56 0.00 0.00 176.76 176.08 1r8u n MET 256 N -3.39 0.09 -0.48 3.97 0.00 -1.26 -5.13 117.12 110.92 1r8u n MET 256 Ca 0.09 -1.57 -0.29 0.00 0.00 0.00 0.00 57.70 55.94 1r8u n MET 256 Cb 0.33 -0.34 0.26 0.00 0.00 0.00 0.00 33.22 33.47 1r8u n MET 256 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1r8u n THR 257 N 0.15 0.00 -1.11 1.12 5.66 -0.38 -4.87 114.28 114.85 1r8u n THR 257 Ca 0.04 -0.45 -0.35 0.00 -3.05 0.00 0.00 64.05 60.24 1r8u n THR 257 Cb 0.90 -0.94 -0.03 0.00 -1.55 0.00 0.00 70.33 68.71 1r8u n THR 257 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1r8u n ASP 258 N -4.58 4.41 -4.68 1.09 2.03 -1.26 -4.95 116.55 108.61 1r8u n ASP 258 Ca 0.02 -2.56 -0.45 0.00 0.52 0.00 0.00 54.79 52.32 1r8u n ASP 258 Cb 0.55 -1.25 -0.04 0.00 -0.72 0.00 0.00 41.12 39.67 1r8u n ASP 258 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1r8u n PHE 259 N 5.56 2.42 -1.19 -0.67 -0.00 -1.26 -4.93 117.46 117.40 1r8u n PHE 259 Ca 0.52 0.12 0.01 0.00 -0.00 0.00 0.00 57.45 58.10 1r8u n PHE 259 Cb 0.28 -2.62 0.02 0.00 -0.00 0.00 0.00 39.48 37.16 1r8u n PHE 259 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 1r8u n VAL 260 N 4.00 0.37 -1.38 -2.13 0.24 -1.26 -4.99 118.33 113.18 1r8u n VAL 260 Ca 0.18 -0.41 -0.42 0.00 -2.04 0.00 0.00 64.34 61.65 1r8u n VAL 260 Cb 0.31 0.62 -0.04 0.00 -1.47 0.00 0.00 33.84 33.26 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 6.92 0.02 -3.93 0.00 2.85 -1.26 -4.66 118.16 118.09 1r8u n LYS 262 Ca 0.50 0.46 -0.10 0.00 -1.05 0.00 0.00 58.31 58.12 1r8u n LYS 262 Cb 0.41 -1.62 -0.10 0.00 -0.65 0.00 0.00 35.03 33.07 1r8u n LYS 262 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1r8u s GLN 263 N -2.96 0.48 0.11 -1.58 -2.07 -1.26 -5.19 119.66 107.19 1r8u s GLN 263 Ca -0.00 -0.62 -0.18 0.00 -1.82 0.00 0.00 55.36 52.73 1r8u s GLN 263 Cb 0.01 0.19 0.04 0.00 -1.09 0.00 0.00 33.01 32.16 1r8u s GLN 263 CO 0.02 -0.11 0.44 1.14 -1.32 0.00 0.00 175.29 175.46 1r8u s GLN 264 N -1.97 1.06 0.72 9.60 0.00 -1.26 -5.17 119.66 122.64 1r8u s GLN 264 Ca -0.11 -0.57 -0.16 0.00 -0.00 0.00 0.00 55.36 54.53 1r8u s GLN 264 Cb -0.05 0.47 -0.03 0.00 0.00 0.00 0.00 33.01 33.40 1r8u s GLN 264 CO -0.02 -0.41 0.56 -2.30 0.00 0.00 0.00 175.29 173.12 1r8u n PRO 265 N -0.04 0.31 0.22 9.60 -0.02 -1.26 -4.89 135.00 138.91 1r8u n PRO 265 Ca -0.17 0.15 0.15 0.00 -2.02 0.00 0.00 63.50 61.60 1r8u n PRO 265 Cb 0.63 -1.86 0.78 0.00 -0.02 0.00 0.00 33.50 33.03 1r8u n PRO 265 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1r8u h SER 266 N -0.37 0.00 0.00 2.55 4.64 -2.02 -3.16 113.55 115.19 1r8u h SER 266 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1r8u h SER 266 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1r8u h SER 266 CO 0.43 0.00 0.23 0.03 -0.87 0.00 0.00 176.83 176.64 1r8u h ARG 267 N 0.00 0.00 0.00 4.77 3.08 -2.08 -2.53 114.38 117.62 1r8u h ARG 267 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1r8u h ARG 267 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1r8u h ARG 267 CO 0.00 0.00 0.00 -0.39 -1.07 0.00 0.00 179.97 178.51 1r8u h VAL 268 N 0.00 0.00 0.00 2.04 -1.51 -1.92 -3.56 116.25 111.30 1r8u h VAL 268 Ca 0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 1r8u h VAL 268 Cb 0.45 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 1r8u h VAL 268 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 177.57 176.10