#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r8u n ASP 221 N 0.00 0.30 -3.92 8.00 2.03 -1.26 -5.11 116.55 116.60 1r8u n ASP 221 Ca 0.00 -1.93 -0.10 0.00 0.52 0.00 0.00 54.79 53.28 1r8u n ASP 221 Cb 0.00 -0.18 -0.05 0.00 -0.72 0.00 0.00 41.12 40.16 1r8u n ASP 221 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1r8u s PHE 222 N -0.33 0.47 0.79 -0.67 5.36 -1.26 -5.17 117.98 117.17 1r8u s PHE 222 Ca 0.03 -0.82 -0.14 0.00 -0.96 0.00 0.00 56.93 55.04 1r8u s PHE 222 Cb 0.03 0.13 0.07 0.00 -0.34 0.00 0.00 43.02 42.91 1r8u s PHE 222 CO 0.00 -1.00 1.20 -0.89 -1.46 0.00 0.00 175.22 173.07 1r8u n ILE 223 N -0.39 2.44 -4.22 3.12 5.41 -1.26 -5.08 119.36 119.39 1r8u n ILE 223 Ca -0.01 -0.25 -0.12 0.00 1.00 0.00 0.00 62.75 63.36 1r8u n ILE 223 Cb 0.62 -1.23 -0.10 0.00 -0.71 0.00 0.00 39.64 38.22 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 -2.00 1.15 0.32 4.38 2.15 -1.26 -5.04 116.67 116.36 1r8u s ASP 224 Ca 0.75 -1.13 0.06 0.00 0.43 0.00 0.00 52.55 52.66 1r8u s ASP 224 Cb -0.31 0.12 0.72 0.00 -0.30 0.00 0.00 42.92 43.15 1r8u s ASP 224 CO 0.49 -0.55 1.82 1.05 -0.17 0.00 0.00 175.17 177.82 1r8u h GLU 225 N 2.78 0.78 0.00 4.34 4.11 -2.00 -0.71 114.58 123.88 1r8u h GLU 225 Ca -0.36 -0.05 -0.10 0.00 0.07 0.00 0.00 59.36 58.92 1r8u h GLU 225 Cb 1.19 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1r8u h GLU 225 CO 0.63 0.52 -0.46 0.93 0.07 0.00 0.00 179.01 180.70 1r8u h GLU 226 N 0.81 0.00 -0.45 1.06 5.08 -1.98 -1.40 114.58 117.69 1r8u h GLU 226 Ca 0.51 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.81 1r8u h GLU 226 Cb 0.74 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1r8u h GLU 226 CO -0.29 0.46 0.05 0.28 -1.00 0.00 0.00 179.01 178.52 1r8u h VAL 227 N 0.00 1.25 -0.43 3.13 2.07 -1.55 -0.38 116.25 120.34 1r8u h VAL 227 Ca -0.00 -0.95 -0.12 0.00 0.82 0.00 0.00 66.70 66.44 1r8u h VAL 227 Cb 0.83 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1r8u h VAL 227 CO 0.06 0.33 -0.21 -0.07 0.02 0.00 0.00 177.57 177.70 1r8u h LEU 228 N 0.63 0.93 -1.13 2.57 -0.00 -1.27 -2.25 115.31 114.78 1r8u h LEU 228 Ca 0.13 -0.40 -0.00 0.00 -0.00 0.00 0.00 57.88 57.61 1r8u h LEU 228 Cb 0.42 -0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 40.79 1r8u h LEU 228 CO 0.01 1.13 0.49 0.24 -0.00 0.00 0.00 178.44 180.31 1r8u h MET 229 N 0.73 1.08 -0.78 1.13 2.86 -1.08 0.10 114.93 118.97 1r8u h MET 229 Ca 0.10 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1r8u h MET 229 Cb 0.78 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 1r8u h MET 229 CO 0.06 0.75 0.32 0.77 1.06 0.00 0.00 176.91 179.87 1r8u h SER 230 N 1.10 1.07 0.29 1.22 0.02 -0.93 -2.00 113.55 114.33 1r8u h SER 230 Ca 0.29 -0.16 -0.15 0.00 -0.84 0.00 0.00 61.79 60.93 1r8u h SER 230 Cb -0.06 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.19 1r8u h SER 230 CO -0.06 0.95 -0.58 0.25 -1.14 0.00 0.00 176.83 176.25 1r8u h LEU 231 N 1.14 0.34 -0.49 5.07 6.46 -0.71 -0.07 115.31 127.05 1r8u h LEU 231 Ca 0.26 -0.19 0.03 0.00 -0.12 0.00 0.00 57.88 57.86 1r8u h LEU 231 Cb 0.21 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.00 1r8u h LEU 231 CO -0.02 0.85 0.28 0.58 -0.62 0.00 0.00 178.44 179.50 1r8u h VAL 232 N 0.23 1.03 -0.37 1.05 2.07 -0.60 -0.20 116.25 119.45 1r8u h VAL 232 Ca -0.00 -0.19 -0.15 0.00 0.82 0.00 0.00 66.70 67.18 1r8u h VAL 232 Cb 1.09 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1r8u h VAL 232 CO 0.09 0.10 -0.36 0.40 0.02 0.00 0.00 177.57 177.82 1r8u h ILE 233 N 0.55 1.28 -0.38 4.57 2.04 -1.23 -0.22 117.51 124.12 1r8u h ILE 233 Ca 0.20 -1.53 0.01 0.00 1.00 0.00 0.00 64.86 64.53 1r8u h ILE 233 Cb 0.05 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1r8u h ILE 233 CO -0.10 0.51 0.25 -0.08 0.00 0.00 0.00 178.15 178.72 1r8u h GLU 234 N 0.70 0.49 0.00 2.37 4.57 -0.67 -2.75 114.58 119.29 1r8u h GLU 234 Ca 0.06 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1r8u h GLU 234 Cb 0.95 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.43 1r8u h GLU 234 CO 0.09 0.32 0.00 0.52 -1.18 0.00 0.00 179.01 178.76 1r8u h MET 235 N 0.50 0.00 -1.06 1.92 2.86 -1.05 -3.48 114.93 114.61 1r8u h MET 235 Ca 0.14 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.67 1r8u h MET 235 Cb -0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1r8u h MET 235 CO -0.04 0.00 -0.16 0.41 1.06 0.00 0.00 176.91 178.18 1r8u n GLY 236 N 0.86 0.18 0.06 8.32 0.00 -0.24 -4.95 105.19 109.42 1r8u n GLY 236 Ca 0.03 -0.61 0.07 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.99 0.26 0.22 0.99 4.77 -0.37 -1.93 117.00 119.95 1r8u n LEU 237 Ca -0.06 0.59 0.15 0.00 -0.03 0.00 0.00 56.01 56.66 1r8u n LEU 237 Cb 0.55 -0.58 0.70 0.00 -2.33 0.00 0.00 43.42 41.76 1r8u n LEU 237 CO 0.10 -0.51 0.95 -2.24 -1.33 0.00 0.00 177.39 174.36 1r8u h ASP 238 N 0.00 0.00 0.09 -1.43 2.03 -1.93 -2.87 116.42 112.30 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 0.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.67 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 -2.65 1.35 -0.76 4.15 1.74 -0.81 -4.96 116.66 114.71 1r8u n ARG 239 Ca 0.00 -0.80 -0.30 0.00 -0.77 0.00 0.00 57.85 55.98 1r8u n ARG 239 Cb 0.19 -1.48 0.18 0.00 -1.02 0.00 0.00 32.46 30.32 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 -2.20 2.24 0.00 0.55 -1.09 -1.09 -5.01 121.20 114.60 1r8u s ILE 240 Ca 0.32 0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.82 1r8u s ILE 240 Cb 0.20 -2.20 0.00 0.00 -1.58 0.00 0.00 42.46 38.88 1r8u s ILE 240 CO 0.41 -0.10 0.00 1.17 -1.23 0.00 0.00 174.94 175.19 1r8u n LYS 241 N -4.31 0.00 -3.79 2.79 4.81 -1.26 -5.09 118.16 111.31 1r8u n LYS 241 Ca 0.09 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.40 1r8u n LYS 241 Cb 0.53 -0.47 -0.12 0.00 0.02 0.00 0.00 35.03 34.99 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 -1.64 0.23 -0.05 1.64 0.41 -1.26 -5.15 118.70 112.88 1r8u s GLU 242 Ca 0.00 0.33 -0.30 0.00 -0.41 0.00 0.00 54.97 54.59 1r8u s GLU 242 Cb 0.00 0.07 -0.03 0.00 -1.78 0.00 0.00 34.13 32.39 1r8u s GLU 242 CO 0.00 -0.06 1.22 -1.17 -0.49 0.00 0.00 175.26 174.76 1r8u s LEU 243 N 0.33 4.28 0.92 1.80 2.96 -1.26 -5.04 118.68 122.67 1r8u s LEU 243 Ca -0.02 1.84 -0.13 0.00 -0.22 0.00 0.00 54.13 55.60 1r8u s LEU 243 Cb -0.03 -3.56 0.14 0.00 0.50 0.00 0.00 46.19 43.24 1r8u s LEU 243 CO -0.01 -0.60 1.14 -2.16 -1.32 0.00 0.00 176.35 173.40 1r8u s PRO 244 N 2.27 1.07 0.30 0.98 0.04 -1.26 -5.07 135.00 133.32 1r8u s PRO 244 Ca 0.57 0.27 -0.11 0.00 0.04 0.00 0.00 61.00 61.76 1r8u s PRO 244 Cb -0.25 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 1r8u s PRO 244 CO 0.22 -2.24 0.65 -1.21 0.04 0.00 0.00 177.00 174.45 1r8u s GLU 245 N -5.29 3.84 -0.04 4.56 2.02 -1.26 -5.11 118.70 117.42 1r8u s GLU 245 Ca 0.64 0.40 -0.10 0.00 0.02 0.00 0.00 54.97 55.93 1r8u s GLU 245 Cb -0.14 -2.53 0.02 0.00 0.10 0.00 0.00 34.13 31.57 1r8u s GLU 245 CO 0.53 0.19 0.23 -0.51 0.02 0.00 0.00 175.26 175.72 1r8u s LEU 246 N -3.14 1.17 -0.46 1.80 1.02 -1.26 -5.12 118.68 112.69 1r8u s LEU 246 Ca 0.50 0.15 0.09 0.00 0.02 0.00 0.00 54.13 54.89 1r8u s LEU 246 Cb -0.11 0.90 0.36 0.00 0.02 0.00 0.00 46.19 47.35 1r8u s LEU 246 CO 0.23 -0.27 0.85 0.79 0.02 0.00 0.00 176.35 177.97 1r8u n TRP 247 N 2.02 2.04 0.29 0.29 7.02 -1.26 -4.89 117.44 122.94 1r8u n TRP 247 Ca -0.18 -3.80 0.14 0.00 -1.02 0.00 0.00 57.50 52.63 1r8u n TRP 247 Cb 0.57 -0.43 0.65 0.00 -2.42 0.00 0.00 31.31 29.67 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 2.97 0.00 -1.31 -0.99 4.07 -1.99 -2.28 115.31 115.79 1r8u h LEU 248 Ca 0.11 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1r8u h LEU 248 Cb 0.78 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.52 1r8u h LEU 248 CO 0.65 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.62 1r8u n GLY 249 N -0.58 0.69 3.17 0.83 0.00 -1.26 -4.91 105.19 103.13 1r8u n GLY 249 Ca 0.00 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.55 0.97 0.51 1.61 -0.21 -0.86 -5.05 119.66 115.08 1r8u s GLN 250 Ca 0.23 -1.46 0.34 0.00 0.02 0.00 0.00 55.36 54.49 1r8u s GLN 250 Cb 0.12 0.11 1.65 0.00 1.00 0.00 0.00 33.01 35.90 1r8u s GLN 250 CO 0.15 -0.23 2.03 -0.97 -2.12 0.00 0.00 175.29 174.15 1r8u h ASN 251 N 2.82 0.00 -0.59 5.90 -1.24 -1.91 -3.23 115.58 117.34 1r8u h ASN 251 Ca -0.35 0.00 0.12 0.00 0.71 0.00 0.00 56.30 56.78 1r8u h ASN 251 Cb 1.20 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 40.22 1r8u h ASN 251 CO 0.60 0.00 0.40 -0.33 -1.29 0.00 0.00 177.43 176.81 1r8u h GLU 252 N 0.00 0.27 -1.93 6.67 4.39 -1.97 -3.34 114.58 118.67 1r8u h GLU 252 Ca 0.00 -0.02 -0.44 0.00 0.34 0.00 0.00 59.36 59.25 1r8u h GLU 252 Cb 0.23 -0.06 -0.31 0.00 -0.10 0.00 0.00 28.75 28.51 1r8u h GLU 252 CO 0.00 0.18 -0.80 0.12 -1.16 0.00 0.00 179.01 177.35 1r8u s PHE 253 N -5.28 0.13 -1.35 4.33 5.36 -1.22 -5.02 117.98 114.93 1r8u s PHE 253 Ca -0.07 -1.61 -0.15 0.00 -0.96 0.00 0.00 56.93 54.14 1r8u s PHE 253 Cb 0.20 -0.50 0.01 0.00 -0.34 0.00 0.00 43.02 42.39 1r8u s PHE 253 CO 0.74 -0.97 2.16 -3.47 -1.46 0.00 0.00 175.22 172.22 1r8u n ASP 254 N 3.11 3.74 -0.21 6.13 -0.08 -1.26 -4.23 116.55 123.75 1r8u n ASP 254 Ca 0.23 -2.82 0.28 0.00 -1.51 0.00 0.00 54.79 50.97 1r8u n ASP 254 Cb 0.49 -1.59 0.42 0.00 2.34 0.00 0.00 41.12 42.79 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 6.49 0.00 -0.26 -0.67 -1.74 -1.26 -1.13 117.46 118.89 1r8u n PHE 255 Ca 0.51 0.00 0.02 0.00 -0.56 0.00 0.00 57.45 57.42 1r8u n PHE 255 Cb 0.40 -0.26 0.02 0.00 1.52 0.00 0.00 39.48 41.16 1r8u n PHE 255 CO 0.00 0.00 0.00 -1.33 -0.56 0.00 0.00 176.76 174.87 1r8u n MET 256 N -3.21 2.49 -1.88 3.97 2.81 -1.26 -5.05 117.12 114.99 1r8u n MET 256 Ca 0.23 -1.59 -0.38 0.00 -1.81 0.00 0.00 57.70 54.16 1r8u n MET 256 Cb 1.51 -1.03 0.03 0.00 -0.71 0.00 0.00 33.22 33.03 1r8u n MET 256 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1r8u s THR 257 N -1.20 2.29 0.19 2.03 -1.32 -0.29 -5.04 115.64 112.31 1r8u s THR 257 Ca 0.05 0.21 -0.18 0.00 -1.21 0.00 0.00 61.69 60.56 1r8u s THR 257 Cb 0.04 -3.11 0.03 0.00 -1.51 0.00 0.00 72.50 67.96 1r8u s THR 257 CO 0.00 -0.01 0.54 -0.62 -2.21 0.00 0.00 174.62 172.32 1r8u s ASP 258 N -1.10 -0.29 0.08 8.08 2.15 -1.26 -5.12 116.67 119.20 1r8u s ASP 258 Ca 0.71 -0.43 -0.31 0.00 0.43 0.00 0.00 52.55 52.95 1r8u s ASP 258 Cb -0.37 0.59 -0.07 0.00 -0.30 0.00 0.00 42.92 42.76 1r8u s ASP 258 CO 0.44 -1.05 1.32 0.72 -0.17 0.00 0.00 175.17 176.43 1r8u s PHE 259 N -3.86 3.26 -0.09 -5.34 -0.12 -1.26 -4.93 117.98 105.64 1r8u s PHE 259 Ca 0.08 1.06 0.23 0.00 -0.05 0.00 0.00 56.93 58.25 1r8u s PHE 259 Cb -0.01 -3.59 0.45 0.00 -0.63 0.00 0.00 43.02 39.24 1r8u s PHE 259 CO -0.04 -2.00 1.17 1.33 -0.05 0.00 0.00 175.22 175.63 1r8u n VAL 260 N 4.04 0.62 -1.64 -2.49 0.24 -1.26 -5.12 118.33 112.73 1r8u n VAL 260 Ca 0.11 -1.78 -0.37 0.00 -2.04 0.00 0.00 64.34 60.25 1r8u n VAL 260 Cb 0.44 0.82 0.06 0.00 -1.47 0.00 0.00 33.84 33.69 1r8u n VAL 260 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1r8u s LYS 262 N -2.96 1.40 0.30 0.00 1.02 -1.26 -5.19 119.74 113.06 1r8u s LYS 262 Ca 0.78 -1.77 0.03 0.00 0.02 0.00 0.00 55.97 55.03 1r8u s LYS 262 Cb -0.40 0.05 -0.05 0.00 -0.52 0.00 0.00 37.83 36.90 1r8u s LYS 262 CO 0.45 -0.40 0.09 -0.65 -0.92 0.00 0.00 175.35 173.92 1r8u s GLN 263 N -3.98 1.57 -0.07 1.68 1.11 -1.26 -5.18 119.66 113.53 1r8u s GLN 263 Ca 0.38 -1.88 0.01 0.00 0.01 0.00 0.00 55.36 53.89 1r8u s GLN 263 Cb 0.06 -0.50 -0.03 0.00 -1.01 0.00 0.00 33.01 31.53 1r8u s GLN 263 CO 0.15 -0.29 -0.09 -0.65 0.01 0.00 0.00 175.29 174.42 1r8u s GLN 264 N -3.93 2.75 0.78 2.91 -0.21 -1.26 -5.13 119.66 115.56 1r8u s GLN 264 Ca 0.36 -0.58 -0.11 0.00 0.02 0.00 0.00 55.36 55.04 1r8u s GLN 264 Cb 0.07 -2.56 0.06 0.00 1.00 0.00 0.00 33.01 31.58 1r8u s GLN 264 CO 0.15 0.63 1.09 -1.25 -2.12 0.00 0.00 175.29 173.78 1r8u s PRO 265 N -0.71 2.27 0.00 2.91 0.04 -1.26 -5.03 135.00 133.22 1r8u s PRO 265 Ca 0.11 0.76 0.00 0.00 0.04 0.00 0.00 61.00 61.91 1r8u s PRO 265 Cb -0.11 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1r8u s PRO 265 CO 0.01 -1.52 0.00 0.43 0.04 0.00 0.00 177.00 175.96 1r8u n SER 266 N -3.39 1.30 0.00 6.66 7.64 -1.26 -4.82 113.62 119.76 1r8u n SER 266 Ca 0.07 -0.04 0.14 0.00 1.01 0.00 0.00 58.87 60.05 1r8u n SER 266 Cb 0.55 0.34 0.80 0.00 -1.01 0.00 0.00 64.21 64.89 1r8u n SER 266 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1r8u n ARG 267 N -0.47 0.75 -0.12 1.43 3.00 -1.26 -4.22 116.66 115.77 1r8u n ARG 267 Ca 0.00 0.01 0.22 0.00 -0.00 0.00 0.00 57.85 58.08 1r8u n ARG 267 Cb 0.00 -1.50 0.65 0.00 0.00 0.00 0.00 32.46 31.61 1r8u n ARG 267 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1r8u h VAL 268 N 0.00 0.67 0.00 5.15 2.07 -2.03 -3.58 116.25 118.53 1r8u h VAL 268 Ca 0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1r8u h VAL 268 Cb 0.07 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1r8u h VAL 268 CO 0.00 0.02 0.00 -1.20 0.02 0.00 0.00 177.57 176.41