#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkt h GLU 199 N 0.00 -0.18 0.00 0.54 5.08 -2.03 -0.27 114.58 117.72 2kkt h GLU 199 Ca 0.00 0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 2kkt h GLU 199 Cb 0.00 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2kkt h GLU 199 CO 0.00 0.13 -0.74 1.05 -1.00 0.00 0.00 179.01 178.45 2kkt h GLU 200 N -0.51 0.00 -0.35 2.33 9.09 -2.04 -2.32 114.58 120.78 2kkt h GLU 200 Ca -0.02 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.37 2kkt h GLU 200 Cb 0.40 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.48 2kkt h GLU 200 CO 0.03 0.74 0.13 1.25 0.05 0.00 0.00 179.01 181.21 2kkt h LEU 201 N 0.00 0.49 -1.86 3.06 6.46 -1.97 0.53 115.31 122.02 2kkt h LEU 201 Ca -0.01 -0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.58 2kkt h LEU 201 Cb 1.50 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 41.30 2kkt h LEU 201 CO 0.10 0.53 0.08 -0.09 -0.62 0.00 0.00 178.44 178.44 2kkt h ARG 202 N 0.42 0.17 0.00 1.25 2.43 -0.96 -0.39 114.38 117.30 2kkt h ARG 202 Ca 0.12 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.15 2kkt h ARG 202 Cb 0.20 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 2kkt h ARG 202 CO -0.01 0.12 -0.71 1.03 -1.51 0.00 0.00 179.97 178.90 2kkt h SER 203 N 0.18 0.00 0.56 -3.80 0.87 -0.82 -3.34 113.55 107.21 2kkt h SER 203 Ca 0.05 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 2kkt h SER 203 Cb -0.01 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2kkt h SER 203 CO -0.01 0.58 -0.27 0.25 -0.53 0.00 0.00 176.83 176.85 2kkt h LEU 204 N 0.00 -0.64 -0.98 2.23 6.46 0.18 -3.05 115.31 119.50 2kkt h LEU 204 Ca -0.03 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 2kkt h LEU 204 Cb 1.47 0.17 0.00 0.00 -0.73 0.00 0.00 40.66 41.56 2kkt h LEU 204 CO 0.07 -0.36 0.16 0.18 -0.62 0.00 0.00 178.44 177.87 2kkt n LEU 205 N -5.36 0.38 -0.02 2.25 7.99 -0.87 0.50 117.00 121.87 2kkt n LEU 205 Ca -0.12 0.62 -0.08 0.00 -0.01 0.00 0.00 56.01 56.41 2kkt n LEU 205 Cb 0.33 -0.62 0.08 0.00 -0.11 0.00 0.00 43.42 43.10 2kkt n LEU 205 CO 0.34 -0.75 0.57 0.74 -1.51 0.00 0.00 177.39 176.79 2kkt h THR 206 N 0.00 1.30 0.00 -5.08 2.02 -1.68 -3.39 112.91 106.08 2kkt h THR 206 Ca 0.00 -1.61 0.00 0.00 0.77 0.00 0.00 66.41 65.57 2kkt h THR 206 Cb 0.32 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 2kkt h THR 206 CO 0.00 0.51 -0.48 1.07 0.37 0.00 0.00 175.52 176.99 2kkt n THR 207 N -4.02 0.00 -3.68 3.16 5.66 -0.45 -4.97 114.28 109.98 2kkt n THR 207 Ca -0.02 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.61 2kkt n THR 207 Cb 0.54 0.02 -0.07 0.00 -1.55 0.00 0.00 70.33 69.27 2kkt n THR 207 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2kkt s GLN 208 N -1.12 3.89 0.08 1.09 -0.21 0.18 -1.78 119.66 121.80 2kkt s GLN 208 Ca 0.00 0.03 -0.18 0.00 0.02 0.00 0.00 55.36 55.22 2kkt s GLN 208 Cb 0.00 -3.30 -0.05 0.00 1.00 0.00 0.00 33.01 30.66 2kkt s GLN 208 CO 0.00 0.53 1.31 0.00 -2.12 0.00 0.00 175.29 175.01 2kkt n GLY 210 N -1.18 0.66 3.62 0.00 0.00 0.24 -4.58 105.19 103.94 2kkt n GLY 210 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2kkt n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kkt s VAL 211 N -2.94 3.99 0.02 1.61 0.11 -1.26 -3.69 120.40 118.25 2kkt s VAL 211 Ca 0.00 1.08 -0.30 0.00 -2.93 0.00 0.00 61.98 59.83 2kkt s VAL 211 Cb 0.00 -4.13 -0.07 0.00 -1.53 0.00 0.00 36.38 30.65 2kkt s VAL 211 CO 0.00 -0.58 1.69 -0.63 -3.33 0.00 0.00 175.10 172.25 2kkt s ILE 212 N 4.91 3.24 -0.81 7.04 1.01 -1.26 -0.78 121.20 134.55 2kkt s ILE 212 Ca 0.60 0.52 -0.23 0.00 0.00 0.00 0.00 60.65 61.54 2kkt s ILE 212 Cb -0.16 -3.33 0.07 0.00 0.01 0.00 0.00 42.46 39.04 2kkt s ILE 212 CO 0.28 -0.02 1.18 -0.44 0.00 0.00 0.00 174.94 175.93 2kkt s SER 213 N 2.97 6.33 -1.67 3.58 0.01 0.43 -4.44 113.70 120.91 2kkt s SER 213 Ca 0.75 -1.16 -0.16 0.00 1.31 0.00 0.00 55.95 56.69 2kkt s SER 213 Cb -0.38 -2.48 0.14 0.00 0.21 0.00 0.00 66.02 63.51 2kkt s SER 213 CO 0.32 -1.48 0.73 1.21 0.41 0.00 0.00 173.24 174.43 2kkt n GLU 214 N 8.14 -3.11 0.00 12.44 4.07 -1.26 -1.91 120.64 139.01 2kkt n GLU 214 Ca 0.11 0.37 0.00 0.00 -0.06 0.00 0.00 57.16 57.58 2kkt n GLU 214 Cb 0.48 -5.00 0.00 0.00 -0.06 0.00 0.00 31.44 26.86 2kkt n GLU 214 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2kkt n HIS 215 N -4.39 0.00 -0.14 4.31 8.25 -1.26 -4.44 115.22 117.55 2kkt n HIS 215 Ca 0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.36 2kkt n HIS 215 Cb 0.52 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.61 2kkt n HIS 215 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 2kkt h THR 216 N 0.00 1.27 0.00 1.59 2.02 -1.97 -2.73 112.91 113.10 2kkt h THR 216 Ca 0.00 -1.42 0.00 0.00 0.77 0.00 0.00 66.41 65.76 2kkt h THR 216 Cb 0.00 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2kkt h THR 216 CO 0.00 0.48 0.00 0.50 0.37 0.00 0.00 175.52 176.87 2kkt h LYS 217 N 0.75 0.00 0.00 6.66 3.11 -1.60 -3.49 116.57 122.00 2kkt h LYS 217 Ca 0.09 0.00 0.02 0.00 -2.81 0.00 0.00 60.65 57.95 2kkt h LYS 217 Cb 0.84 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.07 2kkt h LYS 217 CO 0.07 0.00 -0.03 1.63 -2.81 0.00 0.00 179.45 178.32 2kkt n LYS 218 N -2.97 -0.16 -1.61 1.90 5.02 -1.03 -4.80 118.16 114.51 2kkt n LYS 218 Ca 0.03 0.10 -0.40 0.00 -2.02 0.00 0.00 58.31 56.02 2kkt n LYS 218 Cb 0.43 -0.19 0.03 0.00 -0.02 0.00 0.00 35.03 35.28 2kkt n LYS 218 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2kkt n MET 219 N -0.72 1.18 -2.73 1.97 2.81 -1.26 -0.42 117.12 117.94 2kkt n MET 219 Ca 0.00 0.43 -0.41 0.00 -1.81 0.00 0.00 57.70 55.91 2kkt n MET 219 Cb 0.04 -2.10 -0.04 0.00 -0.71 0.00 0.00 33.22 30.41 2kkt n MET 219 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kkt n THR 221 N 2.80 0.61 -0.94 0.00 -2.24 -1.26 0.83 114.28 114.08 2kkt n THR 221 Ca 0.02 -0.60 -0.30 0.00 -2.27 0.00 0.00 64.05 60.90 2kkt n THR 221 Cb 0.49 -0.32 0.26 0.00 -2.10 0.00 0.00 70.33 68.66 2kkt n THR 221 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2kkt s ARG 222 N -3.23 -1.83 0.90 -0.78 1.81 -1.26 -4.59 118.95 109.97 2kkt s ARG 222 Ca -0.05 -0.14 -0.11 0.00 -1.72 0.00 0.00 55.73 53.71 2kkt s ARG 222 Cb 0.11 -1.53 0.13 0.00 -0.45 0.00 0.00 34.95 33.21 2kkt s ARG 222 CO 0.84 -4.10 1.11 -1.12 -0.68 0.00 0.00 175.30 171.36 2kkt s SER 223 N -3.86 3.22 0.24 0.23 0.01 -1.26 0.96 113.70 113.25 2kkt s SER 223 Ca 0.71 1.95 -0.05 0.00 1.31 0.00 0.00 55.95 59.87 2kkt s SER 223 Cb -0.08 -2.49 0.46 0.00 0.21 0.00 0.00 66.02 64.11 2kkt s SER 223 CO 0.56 -2.87 1.68 -0.07 0.41 0.00 0.00 173.24 172.95 2kkt h LEU 224 N -1.71 -0.02 0.00 2.44 3.38 -1.57 -0.59 115.31 117.24 2kkt h LEU 224 Ca -0.46 0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2kkt h LEU 224 Cb 1.27 0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.23 2kkt h LEU 224 CO 0.46 -0.05 0.00 -1.14 0.09 0.00 0.00 178.44 177.80 2kkt n ARG 225 N -5.18 0.19 -0.23 1.13 3.00 -1.26 -4.44 116.66 109.88 2kkt n ARG 225 Ca 0.14 0.15 -0.06 0.00 -0.00 0.00 0.00 57.85 58.08 2kkt n ARG 225 Cb 0.46 -1.50 -0.05 0.00 0.00 0.00 0.00 32.46 31.37 2kkt n ARG 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2kkt n PRO 227 N -4.36 0.00 -0.06 0.00 -0.04 -1.26 -4.98 135.00 124.30 2kkt n PRO 227 Ca 0.01 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.55 2kkt n PRO 227 Cb 0.14 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 33.71 2kkt n PRO 227 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2kkt n GLN 228 N 0.00 1.68 -2.07 0.54 7.27 -1.26 -4.94 117.38 118.60 2kkt n GLN 228 Ca 0.00 -2.35 -0.42 0.00 0.07 0.00 0.00 57.00 54.30 2kkt n GLN 228 Cb 0.00 -1.40 -0.03 0.00 2.41 0.00 0.00 30.24 31.23 2kkt n GLN 228 CO 0.00 0.00 0.00 -1.01 0.07 0.00 0.00 177.06 176.12 2kkt s HIS 229 N -2.47 1.91 0.86 3.69 3.76 -1.26 -4.96 115.29 116.82 2kkt s HIS 229 Ca 0.25 0.65 -0.11 0.00 -0.15 0.00 0.00 55.06 55.70 2kkt s HIS 229 Cb 0.22 -4.16 0.15 0.00 1.11 0.00 0.00 32.58 29.90 2kkt s HIS 229 CO 0.02 -2.69 1.20 0.95 -0.85 0.00 0.00 174.74 173.37 2kkt s THR 230 N 6.84 2.07 0.57 1.30 -4.23 -1.26 -4.70 115.64 116.21 2kkt s THR 230 Ca 0.75 -0.15 0.26 0.00 -1.18 0.00 0.00 61.69 61.36 2kkt s THR 230 Cb -0.20 -2.91 0.33 0.00 1.34 0.00 0.00 72.50 71.06 2kkt s THR 230 CO 0.32 0.00 2.22 -2.24 -0.54 0.00 0.00 174.62 174.38 2kkt h ASP 231 N -1.20 0.00 0.54 3.99 2.03 -1.93 -1.49 116.42 118.36 2kkt h ASP 231 Ca -0.43 0.00 -0.26 0.00 -0.73 0.00 0.00 57.03 55.61 2kkt h ASP 231 Cb 1.26 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.77 2kkt h ASP 231 CO 0.45 0.00 -1.17 -0.33 -1.03 0.00 0.00 179.24 177.17 2kkt h GLU 232 N 0.00 0.32 -0.40 4.15 4.39 -1.98 -2.02 114.58 119.03 2kkt h GLU 232 Ca -0.00 -0.48 -0.08 0.00 0.34 0.00 0.00 59.36 59.14 2kkt h GLU 232 Cb 0.01 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 2kkt h GLU 232 CO 0.00 1.20 -0.10 1.96 -1.16 0.00 0.00 179.01 180.91 2kkt h GLN 233 N 0.12 0.70 0.08 2.33 4.20 -1.63 0.80 115.11 121.71 2kkt h GLN 233 Ca -0.12 -0.22 -0.26 0.00 0.06 0.00 0.00 58.65 58.11 2kkt h GLN 233 Cb 1.87 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.57 2kkt h GLN 233 CO 0.20 0.78 -1.26 0.00 -0.67 0.00 0.00 178.83 177.88 2kkt h ARG 234 N 0.64 0.17 -0.27 1.46 3.08 -1.48 -3.28 114.38 114.71 2kkt h ARG 234 Ca 0.11 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 2kkt h ARG 234 Cb 0.54 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 2kkt h ARG 234 CO 0.03 1.09 0.14 -0.09 -1.07 0.00 0.00 179.97 180.08 2kkt h ARG 235 N 0.05 0.38 -0.97 0.04 2.43 -0.97 -2.09 114.38 113.25 2kkt h ARG 235 Ca -0.13 -0.05 0.25 0.00 -0.81 0.00 0.00 59.98 59.24 2kkt h ARG 235 Cb 1.93 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 31.34 2kkt h ARG 235 CO 0.17 0.35 0.65 1.15 -1.51 0.00 0.00 179.97 180.78 2kkt h THR 236 N 0.32 0.58 0.17 0.20 2.02 -0.91 -0.75 112.91 114.53 2kkt h THR 236 Ca 0.09 -0.10 -0.23 0.00 0.77 0.00 0.00 66.41 66.95 2kkt h THR 236 Cb 0.08 0.27 0.03 0.00 -1.74 0.00 0.00 68.15 66.78 2kkt h THR 236 CO -0.01 0.05 -0.99 0.58 0.37 0.00 0.00 175.52 175.52 2kkt h VAL 237 N 0.29 1.45 -0.59 3.16 2.07 -1.45 -2.57 116.25 118.61 2kkt h VAL 237 Ca 0.51 -2.57 -0.03 0.00 0.82 0.00 0.00 66.70 65.43 2kkt h VAL 237 Cb 1.48 3.14 -0.03 0.00 -1.52 0.00 0.00 31.29 34.36 2kkt h VAL 237 CO -0.17 0.74 0.26 0.03 0.02 0.00 0.00 177.57 178.45 2kkt h ARG 238 N -0.22 0.87 0.00 1.57 3.08 -0.86 0.23 114.38 119.05 2kkt h ARG 238 Ca -0.17 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 59.67 2kkt h ARG 238 Cb 1.78 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.67 2kkt h ARG 238 CO 0.19 0.73 -0.30 -0.24 -1.07 0.00 0.00 179.97 179.27 2kkt h VAL 239 N 0.81 0.73 0.08 2.04 3.04 -1.26 0.19 116.25 121.88 2kkt h VAL 239 Ca 0.20 -1.33 -0.00 0.00 -1.01 0.00 0.00 66.70 64.55 2kkt h VAL 239 Cb 0.17 1.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 2kkt h VAL 239 CO -0.02 0.30 -0.04 0.22 -1.01 0.00 0.00 177.57 177.02 2kkt h TYR 240 N 0.00 -0.10 0.01 3.17 3.20 -0.94 -3.06 116.97 119.25 2kkt h TYR 240 Ca -0.00 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 2kkt h TYR 240 Cb 0.83 0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.13 2kkt h TYR 240 CO 0.00 0.46 -0.01 0.74 -1.64 0.00 0.00 178.16 177.71 2kkt h PHE 241 N -0.82 -0.02 0.00 -3.82 0.04 -0.37 -3.39 116.94 108.56 2kkt h PHE 241 Ca -0.01 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2kkt h PHE 241 Cb 0.60 0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.76 2kkt h PHE 241 CO 0.13 0.59 -0.95 1.47 -0.60 0.00 0.00 178.31 178.95 2kkt n LEU 242 N -4.70 0.76 0.00 1.54 -0.00 0.64 -5.02 117.00 110.22 2kkt n LEU 242 Ca -0.06 0.25 0.00 0.00 -0.00 0.00 0.00 56.01 56.19 2kkt n LEU 242 Cb 0.30 -0.09 0.00 0.00 -0.00 0.00 0.00 43.42 43.63 2kkt n LEU 242 CO 0.22 -0.12 0.00 0.61 -0.00 0.00 0.00 177.39 178.10 2kkt n GLY 243 N 1.25 4.33 0.33 1.47 0.00 -1.14 -4.79 105.19 106.63 2kkt n GLY 243 Ca 0.01 -1.03 0.19 0.00 0.00 0.00 0.00 46.02 45.20 2kkt n GLY 243 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kkt h PRO 244 N 0.00 0.00 -0.29 1.61 0.11 -1.86 -0.25 132.00 131.32 2kkt h PRO 244 Ca 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 2kkt h PRO 244 Cb 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.06 2kkt h PRO 244 CO 0.00 0.00 -0.03 0.43 -0.21 0.00 0.00 178.00 178.19 2kkt n SER 245 N -3.32 3.14 -2.33 -2.05 7.64 -1.26 -4.66 113.62 110.78 2kkt n SER 245 Ca -0.02 -3.37 -0.35 0.00 1.01 0.00 0.00 58.87 56.14 2kkt n SER 245 Cb 0.15 -0.58 0.08 0.00 -1.01 0.00 0.00 64.21 62.85 2kkt n SER 245 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kkt n ALA 246 N -0.86 6.33 -2.68 -0.43 0.00 -0.10 -4.86 120.51 117.91 2kkt n ALA 246 Ca 0.27 -3.46 -0.42 0.00 0.00 0.00 0.00 53.44 49.82 2kkt n ALA 246 Cb 0.95 -1.78 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 2kkt n ALA 246 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2kkt s VAL 247 N -4.79 4.24 0.49 0.00 1.01 -1.26 -4.44 120.40 115.65 2kkt s VAL 247 Ca 0.64 -1.37 -0.09 0.00 0.00 0.00 0.00 61.98 61.16 2kkt s VAL 247 Cb 0.50 -5.02 -0.05 0.00 0.00 0.00 0.00 36.38 31.82 2kkt s VAL 247 CO -0.02 -1.84 0.85 -0.76 0.00 0.00 0.00 175.10 173.34 2kkt s LEU 248 N 3.99 3.61 0.00 3.92 1.43 -1.26 -5.16 118.68 125.22 2kkt s LEU 248 Ca 0.45 1.16 0.30 0.00 -1.03 0.00 0.00 54.13 55.01 2kkt s LEU 248 Cb -0.00 -4.11 1.80 0.00 0.03 0.00 0.00 46.19 43.91 2kkt s LEU 248 CO -0.05 -0.58 2.13 -2.65 0.23 0.00 0.00 176.35 175.43