#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jth h GLU 196 N 0.00 0.18 0.16 0.38 5.08 -2.05 -1.38 114.58 116.95 1jth h GLU 196 Ca 0.00 -0.09 -0.24 0.00 -1.00 0.00 0.00 59.36 58.03 1jth h GLU 196 Cb 0.00 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.27 1jth h GLU 196 CO 0.00 0.58 -1.11 1.15 -1.00 0.00 0.00 179.01 178.63 1jth h THR 197 N 0.15 1.33 -0.46 1.13 2.02 -2.05 -2.61 112.91 112.42 1jth h THR 197 Ca 0.01 -2.53 0.05 0.00 0.77 0.00 0.00 66.41 64.71 1jth h THR 197 Cb 0.81 3.04 -0.04 0.00 -1.74 0.00 0.00 68.15 70.22 1jth h THR 197 CO 0.06 0.73 0.20 0.03 0.37 0.00 0.00 175.52 176.91 1jth h ARG 198 N -0.26 0.39 -0.80 6.66 3.08 -1.98 0.29 114.38 121.76 1jth h ARG 198 Ca -0.21 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1jth h ARG 198 Cb 1.77 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 31.70 1jth h ARG 198 CO 0.15 0.26 0.51 1.25 -1.07 0.00 0.00 179.97 181.06 1jth h HIS 199 N 0.40 1.04 -0.56 3.04 2.76 -1.36 0.17 115.15 120.64 1jth h HIS 199 Ca 0.21 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.32 1jth h HIS 199 Cb 0.16 -0.35 -0.02 0.00 1.55 0.00 0.00 27.41 28.75 1jth h HIS 199 CO -0.13 0.68 0.08 1.03 -1.30 0.00 0.00 177.93 178.29 1jth h SER 200 N 1.10 0.85 0.44 3.26 0.87 -0.83 0.87 113.55 120.11 1jth h SER 200 Ca 0.29 -0.18 -0.17 0.00 -1.23 0.00 0.00 61.79 60.50 1jth h SER 200 Cb -0.08 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.65 1jth h SER 200 CO -0.06 0.86 -0.73 -0.33 -0.53 0.00 0.00 176.83 176.04 1jth h GLU 201 N 0.85 0.24 -0.25 2.24 4.39 0.13 -2.79 114.58 119.40 1jth h GLU 201 Ca 0.17 -0.21 -0.18 0.00 0.34 0.00 0.00 59.36 59.49 1jth h GLU 201 Cb 0.39 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1jth h GLU 201 CO 0.01 0.87 -0.55 0.82 -1.16 0.00 0.00 179.01 179.00 1jth h ILE 202 N 0.16 1.29 -0.44 3.13 2.04 -0.17 -1.82 117.51 121.70 1jth h ILE 202 Ca -0.02 -1.75 -0.05 0.00 1.00 0.00 0.00 64.86 64.04 1jth h ILE 202 Cb 1.29 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 39.10 1jth h ILE 202 CO 0.11 0.56 0.07 0.40 0.00 0.00 0.00 178.15 179.30 1jth h ILE 203 N 0.56 1.21 -0.22 -0.67 1.08 -0.85 -0.05 117.51 118.57 1jth h ILE 203 Ca 0.00 -0.77 -0.18 0.00 -0.39 0.00 0.00 64.86 63.52 1jth h ILE 203 Cb 1.16 0.80 -0.00 0.00 -3.07 0.00 0.00 36.82 35.71 1jth h ILE 203 CO 0.12 0.28 -0.59 0.50 -0.69 0.00 0.00 178.15 177.77 1jth h LYS 204 N 0.65 0.73 -0.71 2.37 3.64 -1.42 -2.74 116.57 119.08 1jth h LYS 204 Ca 0.14 -0.48 -0.06 0.00 -1.27 0.00 0.00 60.65 58.98 1jth h LYS 204 Cb 0.29 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 1jth h LYS 204 CO 0.00 1.11 0.19 1.25 -2.27 0.00 0.00 179.45 179.73 1jth h LEU 205 N 0.55 1.05 -1.11 5.20 5.85 -0.77 -1.81 115.31 124.27 1jth h LEU 205 Ca 0.00 -0.22 0.09 0.00 0.84 0.00 0.00 57.88 58.59 1jth h LEU 205 Cb 1.18 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.86 1jth h LEU 205 CO 0.12 1.00 0.61 -0.08 -0.34 0.00 0.00 178.44 179.75 1jth h GLU 206 N 1.05 0.96 -0.67 1.25 4.81 -0.86 0.22 114.58 121.34 1jth h GLU 206 Ca 0.22 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1jth h GLU 206 Cb 0.34 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 1jth h GLU 206 CO -0.00 0.63 0.28 -0.91 -0.73 0.00 0.00 179.01 178.28 1jth h ASN 207 N 0.99 0.92 0.46 1.04 2.35 -1.04 -0.05 115.58 120.25 1jth h ASN 207 Ca 0.44 -0.17 -0.20 0.00 -0.55 0.00 0.00 56.30 55.82 1jth h ASN 207 Cb 0.36 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1jth h ASN 207 CO -0.19 0.83 -0.87 0.77 -1.65 0.00 0.00 177.43 176.31 1jth h SER 208 N 0.94 0.37 -0.14 5.81 4.64 -0.83 -2.76 113.55 121.58 1jth h SER 208 Ca 0.22 -0.29 -0.11 0.00 -0.47 0.00 0.00 61.79 61.14 1jth h SER 208 Cb 0.19 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1jth h SER 208 CO -0.02 1.08 -0.28 0.40 -0.87 0.00 0.00 176.83 177.14 1jth h ILE 209 N 0.17 1.28 -0.21 0.95 2.04 -0.38 0.16 117.51 121.51 1jth h ILE 209 Ca -0.05 -1.37 0.01 0.00 1.00 0.00 0.00 64.86 64.46 1jth h ILE 209 Cb 1.49 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.90 1jth h ILE 209 CO 0.14 0.44 0.10 0.03 0.00 0.00 0.00 178.15 178.86 1jth h ARG 210 N 0.53 0.21 -0.66 2.37 3.08 -0.98 0.88 114.38 119.81 1jth h ARG 210 Ca 0.07 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.11 1jth h ARG 210 Cb 0.75 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.72 1jth h ARG 210 CO 0.06 0.14 0.44 0.93 -1.07 0.00 0.00 179.97 180.47 1jth h GLU 211 N 0.22 0.87 -0.32 0.04 5.08 -1.14 -1.34 114.58 117.99 1jth h GLU 211 Ca 0.09 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1jth h GLU 211 Cb 0.02 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1jth h GLU 211 CO -0.06 0.57 0.09 1.25 -1.00 0.00 0.00 179.01 179.86 1jth h LEU 212 N 0.89 0.47 0.27 1.33 5.85 -0.61 -1.34 115.31 122.17 1jth h LEU 212 Ca 0.24 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1jth h LEU 212 Cb -0.10 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 1jth h LEU 212 CO -0.05 0.56 -0.38 -0.74 -0.34 0.00 0.00 178.44 177.50 1jth h HIS 213 N 0.35 -1.03 -0.96 1.25 2.76 -0.56 0.10 115.15 117.07 1jth h HIS 213 Ca 0.10 0.01 0.15 0.00 -2.20 0.00 0.00 60.37 58.44 1jth h HIS 213 Cb 0.27 0.42 -0.10 0.00 1.55 0.00 0.00 27.41 29.55 1jth h HIS 213 CO 0.01 -0.51 0.57 -0.44 -1.30 0.00 0.00 177.93 176.26 1jth h ASP 214 N -0.70 0.76 -0.41 3.26 3.32 -1.19 0.85 116.42 122.31 1jth h ASP 214 Ca -0.01 0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 1jth h ASP 214 Cb 0.67 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 1jth h ASP 214 CO -0.13 0.33 0.03 -0.03 -1.72 0.00 0.00 179.24 177.72 1jth h MET 215 N 0.80 0.79 -0.49 3.56 4.05 -0.49 -1.42 114.93 121.73 1jth h MET 215 Ca 0.52 -0.20 -0.10 0.00 -0.28 0.00 0.00 59.70 59.63 1jth h MET 215 Cb 0.69 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.37 1jth h MET 215 CO -0.34 0.78 -0.10 0.74 0.23 0.00 0.00 176.91 178.22 1jth h PHE 216 N 0.75 1.04 -0.51 1.39 0.04 0.15 -1.65 116.94 118.14 1jth h PHE 216 Ca 0.15 -0.22 -0.09 0.00 2.80 0.00 0.00 57.97 60.61 1jth h PHE 216 Cb 0.41 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 1jth h PHE 216 CO 0.02 1.00 -0.05 0.52 -0.60 0.00 0.00 178.31 179.21 1jth h MET 217 N 0.78 0.94 -0.15 1.51 2.86 -0.83 -2.23 114.93 117.81 1jth h MET 217 Ca 0.13 -0.32 -0.12 0.00 -2.06 0.00 0.00 59.70 57.32 1jth h MET 217 Cb 0.65 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1jth h MET 217 CO 0.04 0.98 -0.42 -0.44 1.06 0.00 0.00 176.91 178.13 1jth h ASP 218 N 0.81 0.36 -0.04 1.22 3.32 -1.23 -3.00 116.42 117.85 1jth h ASP 218 Ca 0.14 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1jth h ASP 218 Cb 0.59 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 1jth h ASP 218 CO 0.04 0.74 0.02 -0.03 -1.72 0.00 0.00 179.24 178.29 1jth h MET 219 N 0.28 0.06 -0.88 3.56 4.05 -1.10 -1.97 114.93 118.92 1jth h MET 219 Ca 0.02 -0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.54 1jth h MET 219 Cb 0.87 -0.01 -0.08 0.00 -0.80 0.00 0.00 31.60 31.58 1jth h MET 219 CO 0.07 0.11 0.52 0.00 0.23 0.00 0.00 176.91 177.84 1jth h ALA 220 N 0.94 1.29 -0.46 0.39 0.00 -1.35 -0.81 119.26 119.26 1jth h ALA 220 Ca 0.01 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1jth h ALA 220 Cb 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1jth h ALA 220 CO -0.00 0.13 -0.19 0.52 0.00 0.00 0.00 179.25 179.71 1jth h MET 221 N 0.85 0.92 0.30 0.00 2.07 -1.36 -1.81 114.93 115.91 1jth h MET 221 Ca 0.43 -0.37 -0.01 0.00 -2.07 0.00 0.00 59.70 57.67 1jth h MET 221 Cb 0.41 -0.04 0.00 0.00 -1.87 0.00 0.00 31.60 30.11 1jth h MET 221 CO -0.26 1.03 -0.14 -0.07 1.07 0.00 0.00 176.91 178.54 1jth h LEU 222 N 0.81 -0.34 -1.33 1.22 3.38 -0.66 -1.39 115.31 116.99 1jth h LEU 222 Ca 0.11 -0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.11 1jth h LEU 222 Cb 0.75 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.53 1jth h LEU 222 CO 0.06 -0.15 0.53 0.58 0.09 0.00 0.00 178.44 179.55 1jth h VAL 223 N -0.52 0.95 -0.36 1.22 2.07 -1.12 -1.29 116.25 117.19 1jth h VAL 223 Ca -0.04 -0.26 -0.13 0.00 0.82 0.00 0.00 66.70 67.09 1jth h VAL 223 Cb 0.39 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1jth h VAL 223 CO 0.07 0.14 -0.30 -0.08 0.02 0.00 0.00 177.57 177.42 1jth h GLU 224 N 0.75 0.84 -0.49 1.57 4.81 -1.07 -0.98 114.58 120.00 1jth h GLU 224 Ca 0.37 -0.42 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1jth h GLU 224 Cb 0.44 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 1jth h GLU 224 CO -0.14 1.06 0.18 0.66 -0.73 0.00 0.00 179.01 180.03 1jth h SER 225 N 0.63 0.69 0.20 1.04 4.64 -0.49 -1.37 113.55 118.90 1jth h SER 225 Ca 0.06 -0.18 -0.04 0.00 -0.47 0.00 0.00 61.79 61.16 1jth h SER 225 Cb 0.87 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 1jth h SER 225 CO 0.08 0.69 -0.18 1.56 -0.87 0.00 0.00 176.83 178.10 1jth h GLN 226 N 0.66 0.00 -0.19 4.77 4.20 -1.18 -0.81 115.11 122.56 1jth h GLN 226 Ca 0.16 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.83 1jth h GLN 226 Cb 0.22 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1jth h GLN 226 CO -0.01 0.18 -0.08 0.78 -0.67 0.00 0.00 178.83 179.03 1jth h GLY 227 N 0.58 0.31 0.90 3.46 0.00 -0.06 -1.44 103.07 106.82 1jth h GLY 227 Ca -0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 1jth h GLY 227 CO 0.02 0.17 0.02 0.83 0.00 0.00 0.00 176.54 177.58 1jth h GLU 228 N 0.28 0.57 -0.16 4.80 5.08 -0.63 -1.00 114.58 123.52 1jth h GLU 228 Ca 0.06 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1jth h GLU 228 Cb 0.32 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1jth h GLU 228 CO 0.02 0.69 0.09 0.52 -1.00 0.00 0.00 179.01 179.32 1jth h MET 229 N 0.38 0.23 -0.91 2.33 2.86 -1.28 -2.05 114.93 116.49 1jth h MET 229 Ca 0.10 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.73 1jth h MET 229 Cb 0.42 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.99 1jth h MET 229 CO 0.01 0.23 0.59 0.82 1.06 0.00 0.00 176.91 179.62 1jth h ILE 230 N 0.17 1.19 -0.34 -1.22 2.04 -1.20 0.33 117.51 118.48 1jth h ILE 230 Ca 0.06 -0.40 0.05 0.00 1.00 0.00 0.00 64.86 65.57 1jth h ILE 230 Cb 0.06 -0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.00 1jth h ILE 230 CO -0.01 0.22 0.04 0.44 0.00 0.00 0.00 178.15 178.83 1jth h ASP 231 N 1.18 -0.06 -0.63 1.72 5.19 -0.88 0.31 116.42 123.26 1jth h ASP 231 Ca 0.35 0.07 -0.07 0.00 -0.62 0.00 0.00 57.03 56.76 1jth h ASP 231 Cb -0.06 0.10 -0.03 0.00 0.18 0.00 0.00 39.33 39.53 1jth h ASP 231 CO -0.10 0.01 0.13 0.03 -3.12 0.00 0.00 179.24 176.18 1jth h ARG 232 N 0.14 1.02 -0.04 3.56 3.08 -0.55 -2.32 114.38 119.27 1jth h ARG 232 Ca 0.16 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1jth h ARG 232 Cb 0.20 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1jth h ARG 232 CO -0.24 0.94 0.03 0.82 -1.07 0.00 0.00 179.97 180.45 1jth h ILE 233 N 0.93 1.02 -0.59 2.04 2.04 0.45 0.12 117.51 123.52 1jth h ILE 233 Ca 0.19 -0.04 0.07 0.00 1.00 0.00 0.00 64.86 66.08 1jth h ILE 233 Cb 0.40 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 1jth h ILE 233 CO 0.01 0.02 0.40 -0.08 0.00 0.00 0.00 178.15 178.49 1jth h GLU 234 N 0.05 0.51 0.24 2.37 4.81 -0.28 -0.25 114.58 122.03 1jth h GLU 234 Ca 0.02 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1jth h GLU 234 Cb 0.00 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1jth h GLU 234 CO -0.00 0.34 -0.11 -0.92 -0.73 0.00 0.00 179.01 177.58 1jth h TYR 235 N 0.53 -0.30 -0.54 0.92 3.20 -0.83 -2.41 116.97 117.55 1jth h TYR 235 Ca 0.26 -0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.28 1jth h TYR 235 Cb 0.35 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1jth h TYR 235 CO -0.00 0.03 0.46 -0.91 -1.64 0.00 0.00 178.16 176.10 1jth h ASN 236 N -0.98 0.00 0.63 -2.11 2.35 -0.48 0.12 115.58 115.11 1jth h ASN 236 Ca -0.03 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.46 1jth h ASN 236 Cb 0.46 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 1jth h ASN 236 CO 0.05 0.00 -1.15 0.58 -1.65 0.00 0.00 177.43 175.27 1jth h VAL 237 N 0.00 1.51 -0.52 2.81 2.07 -1.03 -2.86 116.25 118.23 1jth h VAL 237 Ca 0.26 -2.98 -0.09 0.00 0.82 0.00 0.00 66.70 64.71 1jth h VAL 237 Cb 1.18 2.83 -0.02 0.00 -1.52 0.00 0.00 31.29 33.76 1jth h VAL 237 CO -0.00 0.87 -0.03 -0.33 0.02 0.00 0.00 177.57 178.10 1jth h GLU 238 N 0.09 0.90 -0.01 1.57 5.08 -0.26 -1.68 114.58 120.28 1jth h GLU 238 Ca -0.11 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1jth h GLU 238 Cb 1.86 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.02 1jth h GLU 238 CO 0.19 0.92 0.00 0.72 -1.00 0.00 0.00 179.01 179.83 1jth n HIS 239 N -4.18 0.01 -0.05 4.33 8.25 -0.69 -2.29 115.22 120.59 1jth n HIS 239 Ca 0.02 -0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.46 1jth n HIS 239 Cb 0.34 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.32 1jth n HIS 239 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jth n ALA 240 N -0.79 1.96 -0.03 -1.41 0.00 -0.83 -3.84 120.51 115.56 1jth n ALA 240 Ca 0.18 -0.82 -0.14 0.00 0.00 0.00 0.00 53.44 52.66 1jth n ALA 240 Cb 0.11 -0.25 -0.10 0.00 0.00 0.00 0.00 19.45 19.21 1jth n ALA 240 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1jth h VAL 241 N 0.00 1.44 0.00 0.00 2.07 -1.02 -1.73 116.25 117.01 1jth h VAL 241 Ca -0.28 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 65.60 1jth h VAL 241 Cb 1.56 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 33.67 1jth h VAL 241 CO 0.02 0.46 0.00 0.47 0.02 0.00 0.00 177.57 178.54 1jth n ASP 242 N -4.53 0.00 -0.01 0.57 8.00 -0.97 -2.32 116.55 117.30 1jth n ASP 242 Ca -0.08 -0.22 -0.20 0.00 0.71 0.00 0.00 54.79 55.00 1jth n ASP 242 Cb 0.44 -0.21 -0.14 0.00 -0.02 0.00 0.00 41.12 41.20 1jth n ASP 242 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1jth n TYR 243 N -1.21 1.11 1.05 1.24 0.53 -1.09 -3.96 117.16 114.83 1jth n TYR 243 Ca 0.12 0.25 0.13 0.00 -1.02 0.00 0.00 57.90 57.38 1jth n TYR 243 Cb 0.15 -1.15 0.60 0.00 -1.03 0.00 0.00 39.34 37.91 1jth n TYR 243 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 1jth n VAL 244 N -3.40 0.20 0.91 -0.72 0.31 -0.67 -5.08 118.33 109.88 1jth n VAL 244 Ca -0.31 0.05 0.11 0.00 -0.01 0.00 0.00 64.34 64.18 1jth n VAL 244 Cb 1.05 -0.62 0.09 0.00 -0.91 0.00 0.00 33.84 33.45 1jth n VAL 244 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89