#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 -0.39 0.00 0.54 4.39 -2.01 -1.89 114.58 115.22 2kkt h GLU 199 Ca 0.00 0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 2kkt h GLU 199 Cb 0.00 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2kkt h GLU 199 CO 0.00 -0.06 -0.40 1.05 -1.16 0.00 0.00 179.01 178.45 2kkt h GLU 200 N -0.93 0.00 -0.39 2.33 9.09 -2.04 -2.06 114.58 120.59 2kkt h GLU 200 Ca -0.04 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.35 2kkt h GLU 200 Cb 0.51 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.59 2kkt h GLU 200 CO 0.07 0.40 0.18 1.25 0.05 0.00 0.00 179.01 180.96 2kkt h LEU 201 N 0.00 0.51 -0.26 3.06 6.46 -1.99 0.49 115.31 123.58 2kkt h LEU 201 Ca -0.00 -0.13 0.05 0.00 -0.12 0.00 0.00 57.88 57.68 2kkt h LEU 201 Cb 1.20 -0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.95 2kkt h LEU 201 CO 0.05 0.49 -0.04 -0.09 -0.62 0.00 0.00 178.44 178.23 2kkt h ARG 202 N 0.48 0.02 -0.49 1.25 1.12 -1.12 -0.98 114.38 114.67 2kkt h ARG 202 Ca 0.13 -0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 59.00 2kkt h ARG 202 Cb 0.12 -0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.05 2kkt h ARG 202 CO -0.02 0.02 0.30 0.77 -3.11 0.00 0.00 179.97 177.93 2kkt h SER 203 N 0.02 0.58 0.69 -3.80 0.02 -0.82 -2.60 113.55 107.63 2kkt h SER 203 Ca 0.13 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 2kkt h SER 203 Cb 0.19 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 2kkt h SER 203 CO -0.25 0.44 -0.43 0.25 -1.14 0.00 0.00 176.83 175.70 2kkt h LEU 204 N 0.67 -1.07 -0.08 5.07 6.46 0.89 -2.80 115.31 124.45 2kkt h LEU 204 Ca 0.18 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 58.00 2kkt h LEU 204 Cb -0.04 0.31 0.00 0.00 -0.73 0.00 0.00 40.66 40.21 2kkt h LEU 204 CO -0.04 -0.66 0.16 0.18 -0.62 0.00 0.00 178.44 177.47 2kkt n LEU 205 N -5.56 0.03 0.04 2.25 7.99 -0.46 0.37 117.00 121.67 2kkt n LEU 205 Ca -0.14 0.37 -0.13 0.00 -0.01 0.00 0.00 56.01 56.10 2kkt n LEU 205 Cb 0.45 -0.36 -0.09 0.00 -0.11 0.00 0.00 43.42 43.30 2kkt n LEU 205 CO 0.35 -0.38 0.64 0.74 -1.51 0.00 0.00 177.39 177.23 2kkt h THR 206 N 0.00 1.14 0.00 -5.08 2.02 -1.46 -3.40 112.91 106.12 2kkt h THR 206 Ca 0.00 -0.83 -0.09 0.00 0.77 0.00 0.00 66.41 66.26 2kkt h THR 206 Cb 0.32 1.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.38 2kkt h THR 206 CO 0.00 0.20 -1.35 0.35 0.37 0.00 0.00 175.52 175.09 2kkt n THR 207 N -4.96 0.34 -3.41 3.16 -2.24 -0.46 -4.88 114.28 101.83 2kkt n THR 207 Ca -0.08 -0.22 -0.38 0.00 -2.27 0.00 0.00 64.05 61.10 2kkt n THR 207 Cb 0.22 -0.82 -0.08 0.00 -2.10 0.00 0.00 70.33 67.55 2kkt n THR 207 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2kkt s GLN 208 N -2.13 4.13 0.00 -0.78 -1.52 0.16 -2.58 119.66 116.93 2kkt s GLN 208 Ca -0.03 0.13 0.00 0.00 -1.95 0.00 0.00 55.36 53.52 2kkt s GLN 208 Cb 0.02 -3.56 0.00 0.00 -0.22 0.00 0.00 33.01 29.24 2kkt s GLN 208 CO 0.21 -0.09 0.56 0.00 -0.25 0.00 0.00 175.29 175.72 2kkt n GLY 210 N -0.95 0.63 3.71 0.00 0.00 0.19 -4.78 105.19 103.98 2kkt n GLY 210 Ca 0.00 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.93 4.13 -0.24 1.61 0.11 -1.26 -3.84 120.40 118.98 2kkt s VAL 211 Ca 0.00 1.52 -0.20 0.00 -2.93 0.00 0.00 61.98 60.37 2kkt s VAL 211 Cb 0.00 -3.98 -0.02 0.00 -1.53 0.00 0.00 36.38 30.85 2kkt s VAL 211 CO 0.00 0.10 0.63 -0.63 -3.33 0.00 0.00 175.10 171.87 2kkt s ILE 212 N 1.23 4.99 -1.12 7.04 1.01 -1.25 -0.38 121.20 132.71 2kkt s ILE 212 Ca 0.58 1.15 -0.21 0.00 0.00 0.00 0.00 60.65 62.16 2kkt s ILE 212 Cb -0.28 -3.94 0.03 0.00 0.01 0.00 0.00 42.46 38.29 2kkt s ILE 212 CO 0.28 0.05 1.65 -0.44 0.00 0.00 0.00 174.94 176.47 2kkt s SER 213 N 1.41 6.34 -0.71 3.58 0.01 -0.96 -4.38 113.70 118.99 2kkt s SER 213 Ca 0.27 -1.73 0.00 0.00 1.31 0.00 0.00 55.95 55.80 2kkt s SER 213 Cb -0.16 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.50 2kkt s SER 213 CO 0.09 -1.66 0.00 -1.84 0.41 0.00 0.00 173.24 170.24 2kkt n GLU 214 N 8.66 -1.73 -0.90 12.44 0.28 -1.26 -0.96 120.64 137.17 2kkt n GLU 214 Ca 0.40 0.40 0.00 0.00 -0.16 0.00 0.00 57.16 57.80 2kkt n GLU 214 Cb 0.48 -4.71 0.00 0.00 1.43 0.00 0.00 31.44 28.65 2kkt n GLU 214 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2kkt n HIS 215 N -2.12 0.00 0.02 -1.84 8.25 -1.26 -4.82 115.22 113.44 2kkt n HIS 215 Ca -0.08 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.20 2kkt n HIS 215 Cb 0.37 -1.20 -0.14 0.00 1.12 0.00 0.00 29.99 30.14 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 0.80 0.00 1.59 2.02 -1.43 -3.43 112.91 112.46 2kkt h THR 216 Ca 0.00 -2.52 0.00 0.00 0.77 0.00 0.00 66.41 64.66 2kkt h THR 216 Cb 0.46 2.56 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 2kkt h THR 216 CO 0.00 0.79 0.00 1.17 0.37 0.00 0.00 175.52 177.85 2kkt n LYS 217 N -3.39 0.00 -3.03 6.66 4.81 -0.97 -5.08 118.16 117.16 2kkt n LYS 217 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.19 2kkt n LYS 217 Cb 1.05 -0.03 0.00 0.00 0.02 0.00 0.00 35.03 36.07 2kkt n LYS 217 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2kkt n LYS 218 N -0.08 0.00 -2.85 1.64 2.85 -1.26 -4.99 118.16 113.46 2kkt n LYS 218 Ca 0.00 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.86 2kkt n LYS 218 Cb 0.00 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.33 2kkt n LYS 218 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 2kkt s MET 219 N -0.90 4.67 0.74 -1.58 -1.94 -1.26 -2.26 119.30 116.77 2kkt s MET 219 Ca 0.00 1.31 -0.13 0.00 -1.71 0.00 0.00 55.69 55.16 2kkt s MET 219 Cb 0.00 -3.31 0.04 0.00 2.01 0.00 0.00 34.83 33.57 2kkt s MET 219 CO 0.00 0.42 1.13 0.00 -0.01 0.00 0.00 175.02 176.56 2kkt n THR 221 N -3.05 0.00 -1.27 0.00 5.66 -1.26 0.53 114.28 114.89 2kkt n THR 221 Ca 0.11 -0.46 0.00 0.00 -3.05 0.00 0.00 64.05 60.65 2kkt n THR 221 Cb 0.52 1.01 0.00 0.00 -1.55 0.00 0.00 70.33 70.31 2kkt n THR 221 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kkt n ARG 222 N -0.76 0.54 -0.62 1.09 1.74 -1.26 -4.74 116.66 112.64 2kkt n ARG 222 Ca 0.01 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.80 2kkt n ARG 222 Cb 0.04 0.00 0.25 0.00 -1.02 0.00 0.00 32.46 31.74 2kkt n ARG 222 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2kkt s SER 223 N -1.00 0.66 0.13 0.55 0.15 -1.26 0.21 113.70 113.14 2kkt s SER 223 Ca 0.00 1.25 -0.17 0.00 0.70 0.00 0.00 55.95 57.73 2kkt s SER 223 Cb 0.00 -1.91 -0.01 0.00 -1.71 0.00 0.00 66.02 62.38 2kkt s SER 223 CO 0.00 -4.36 1.70 -0.07 1.20 0.00 0.00 173.24 171.71 2kkt h LEU 224 N -2.73 0.49 -0.73 3.45 3.38 -1.76 -1.97 115.31 115.44 2kkt h LEU 224 Ca -0.57 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.26 2kkt h LEU 224 Cb 1.34 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2kkt h LEU 224 CO 0.46 0.49 0.00 -2.11 0.09 0.00 0.00 178.44 177.37 2kkt n ARG 225 N -4.71 1.26 -0.26 1.13 -4.01 -1.26 -4.57 116.66 104.23 2kkt n ARG 225 Ca -0.01 -0.27 -0.07 0.00 -1.04 0.00 0.00 57.85 56.47 2kkt n ARG 225 Cb 0.12 -1.30 -0.06 0.00 -3.04 0.00 0.00 32.46 28.17 2kkt n ARG 225 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2kkt n PRO 227 N -4.49 0.00 -0.45 0.00 -0.04 -1.26 -4.96 135.00 123.79 2kkt n PRO 227 Ca 0.01 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.49 2kkt n PRO 227 Cb 0.16 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.64 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 0.17 -1.87 0.54 7.27 -1.26 -5.02 117.38 117.21 2kkt n GLN 228 Ca 0.00 -1.21 -0.39 0.00 0.07 0.00 0.00 57.00 55.47 2kkt n GLN 228 Cb 0.00 -0.63 -0.03 0.00 2.41 0.00 0.00 30.24 31.99 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 -0.38 1.50 0.88 3.69 3.76 -1.26 -4.93 115.29 118.54 2kkt s HIS 229 Ca 0.04 0.96 -0.13 0.00 -0.15 0.00 0.00 55.06 55.78 2kkt s HIS 229 Cb 0.04 -3.95 0.13 0.00 1.11 0.00 0.00 32.58 29.91 2kkt s HIS 229 CO 0.00 -2.60 1.20 0.95 -0.85 0.00 0.00 174.74 173.44 2kkt s THR 230 N 9.48 1.99 0.54 1.30 -4.23 -1.26 -4.58 115.64 118.87 2kkt s THR 230 Ca 0.80 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 61.53 2kkt s THR 230 Cb -0.17 -2.92 0.32 0.00 1.34 0.00 0.00 72.50 71.07 2kkt s THR 230 CO 0.26 0.00 2.13 -0.78 -0.54 0.00 0.00 174.62 175.68 2kkt h ASP 231 N -1.34 0.00 -0.39 3.99 3.58 -1.96 0.17 116.42 120.48 2kkt h ASP 231 Ca -0.47 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 56.84 2kkt h ASP 231 Cb 1.31 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.35 2kkt h ASP 231 CO 0.58 0.00 -0.32 -0.33 -2.88 0.00 0.00 179.24 176.29 2kkt h GLU 232 N 0.00 0.90 -0.09 0.28 5.08 -1.98 0.46 114.58 119.23 2kkt h GLU 232 Ca 0.06 -0.45 -0.10 0.00 -1.00 0.00 0.00 59.36 57.87 2kkt h GLU 232 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2kkt h GLU 232 CO -0.00 1.10 -0.41 1.96 -1.00 0.00 0.00 179.01 180.66 2kkt h GLN 233 N 0.71 0.20 0.00 2.33 4.20 -1.34 0.31 115.11 121.52 2kkt h GLN 233 Ca 0.07 -0.09 -0.17 0.00 0.06 0.00 0.00 58.65 58.52 2kkt h GLN 233 Cb 0.90 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.66 2kkt h GLN 233 CO 0.08 0.58 -0.82 0.00 -0.67 0.00 0.00 178.83 178.00 2kkt h ARG 234 N 0.17 0.00 0.23 1.46 2.47 -0.27 -3.34 114.38 115.09 2kkt h ARG 234 Ca 0.01 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 2kkt h ARG 234 Cb 0.80 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.12 2kkt h ARG 234 CO 0.06 0.82 -0.11 -0.09 0.56 0.00 0.00 179.97 181.21 2kkt h ARG 235 N 0.00 -0.30 -0.97 0.04 9.65 0.42 -3.32 114.38 119.90 2kkt h ARG 235 Ca -0.01 0.02 0.18 0.00 -1.10 0.00 0.00 59.98 59.07 2kkt h ARG 235 Cb 1.61 0.07 -0.09 0.00 -1.39 0.00 0.00 29.97 30.17 2kkt h ARG 235 CO 0.11 0.02 0.61 0.00 2.80 0.00 0.00 179.97 183.51 2kkt h THR 236 N -0.97 0.74 0.01 0.20 1.03 -1.09 -0.83 112.91 112.00 2kkt h THR 236 Ca -0.03 -0.24 -0.22 0.00 -0.01 0.00 0.00 66.41 65.91 2kkt h THR 236 Cb 0.46 -0.03 -0.00 0.00 -1.07 0.00 0.00 68.15 67.51 2kkt h THR 236 CO 0.05 0.13 -0.95 0.58 -0.01 0.00 0.00 175.52 175.32 2kkt h VAL 237 N 0.70 1.44 -0.02 0.00 2.07 -1.70 0.11 116.25 118.84 2kkt h VAL 237 Ca 0.53 -2.55 -0.25 0.00 0.82 0.00 0.00 66.70 65.26 2kkt h VAL 237 Cb 0.91 2.47 0.02 0.00 -1.52 0.00 0.00 31.29 33.16 2kkt h VAL 237 CO -0.30 0.75 -0.98 0.03 0.02 0.00 0.00 177.57 177.09 2kkt h ARG 238 N 0.18 0.65 -0.50 1.57 3.08 -1.41 0.74 114.38 118.69 2kkt h ARG 238 Ca -0.07 -0.67 -0.04 0.00 0.07 0.00 0.00 59.98 59.27 2kkt h ARG 238 Cb 1.59 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 31.80 2kkt h ARG 238 CO 0.16 1.26 0.14 0.28 -1.07 0.00 0.00 179.97 180.75 2kkt h VAL 239 N 0.38 1.23 0.15 2.04 2.07 -1.14 0.38 116.25 121.36 2kkt h VAL 239 Ca -0.11 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 2kkt h VAL 239 Cb 1.63 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 2kkt h VAL 239 CO 0.19 0.29 -0.07 0.22 0.02 0.00 0.00 177.57 178.22 2kkt h TYR 240 N 0.68 -0.18 -0.00 1.57 3.20 -0.65 -2.41 116.97 119.18 2kkt h TYR 240 Ca 0.16 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 2kkt h TYR 240 Cb 0.30 0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.63 2kkt h TYR 240 CO 0.02 0.12 -0.01 0.74 -1.64 0.00 0.00 178.16 177.39 2kkt h PHE 241 N -0.49 0.02 -0.07 -3.82 0.04 -0.75 -3.39 116.94 108.46 2kkt h PHE 241 Ca -0.02 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.74 2kkt h PHE 241 Cb 0.39 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.53 2kkt h PHE 241 CO 0.02 0.69 0.00 1.47 -0.60 0.00 0.00 178.31 179.89 2kkt n LEU 242 N -4.75 1.89 0.00 1.54 -0.00 0.13 -5.06 117.00 110.75 2kkt n LEU 242 Ca -0.09 -1.54 0.00 0.00 -0.00 0.00 0.00 56.01 54.38 2kkt n LEU 242 Cb 0.34 -0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.72 2kkt n LEU 242 CO 0.34 0.45 0.00 0.61 -0.00 0.00 0.00 177.39 178.79 2kkt n GLY 243 N 0.05 3.63 0.09 1.47 0.00 -0.91 -4.82 105.19 104.69 2kkt n GLY 243 Ca 0.03 -1.61 0.07 0.00 0.00 0.00 0.00 46.02 44.51 2kkt n GLY 243 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kkt n PRO 244 N -0.94 0.09 -0.02 1.61 -0.04 -1.21 -1.63 135.00 132.86 2kkt n PRO 244 Ca 0.00 0.53 0.08 0.00 -0.04 0.00 0.00 63.50 64.07 2kkt n PRO 244 Cb 0.00 -1.76 0.41 0.00 -0.04 0.00 0.00 33.50 32.12 2kkt n PRO 244 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2kkt n SER 245 N -1.94 0.43 -1.38 3.54 7.64 -1.26 -4.14 113.62 116.50 2kkt n SER 245 Ca 0.00 -1.59 -0.01 0.00 1.01 0.00 0.00 58.87 58.28 2kkt n SER 245 Cb 0.07 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 -0.46 3.64 -0.19 -0.43 0.00 -0.65 -4.16 120.51 118.27 2kkt n ALA 246 Ca 0.12 -0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.35 2kkt n ALA 246 Cb 0.12 -1.02 0.10 0.00 0.00 0.00 0.00 19.45 18.65 2kkt n ALA 246 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kkt n VAL 247 N 1.16 2.15 -1.05 0.00 0.31 -1.26 -4.71 118.33 114.93 2kkt n VAL 247 Ca 0.02 -1.02 0.00 0.00 -0.01 0.00 0.00 64.34 63.33 2kkt n VAL 247 Cb 0.51 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.74 2kkt n VAL 247 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2kkt n LEU 248 N -0.35 -1.18 0.00 7.52 4.77 -1.26 -5.22 117.00 121.28 2kkt n LEU 248 Ca 0.31 1.92 0.13 0.00 -0.03 0.00 0.00 56.01 58.35 2kkt n LEU 248 Cb 1.12 -1.76 0.80 0.00 -2.33 0.00 0.00 43.42 41.25 2kkt n LEU 248 CO 0.32 -0.47 0.98 -2.65 -1.33 0.00 0.00 177.39 174.24