#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 -0.15 0.00 0.54 4.39 -2.00 -0.94 114.58 116.42 2kkt h GLU 199 Ca 0.00 0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.64 2kkt h GLU 199 Cb 0.00 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2kkt h GLU 199 CO 0.00 0.31 -0.32 1.05 -1.16 0.00 0.00 179.01 178.89 2kkt h GLU 200 N -0.90 0.00 -0.39 2.33 9.09 -2.04 -0.72 114.58 121.95 2kkt h GLU 200 Ca -0.02 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.39 2kkt h GLU 200 Cb 0.53 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.61 2kkt h GLU 200 CO 0.03 0.32 0.24 1.25 0.05 0.00 0.00 179.01 180.90 2kkt h LEU 201 N 0.00 0.47 -0.81 3.06 6.46 -1.98 0.36 115.31 122.86 2kkt h LEU 201 Ca -0.00 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 2kkt h LEU 201 Cb 0.85 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.62 2kkt h LEU 201 CO 0.04 0.38 0.51 -0.09 -0.62 0.00 0.00 178.44 178.66 2kkt h ARG 202 N 0.51 1.08 -0.22 1.25 2.43 -0.50 -0.52 114.38 118.42 2kkt h ARG 202 Ca 0.14 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 2kkt h ARG 202 Cb -0.00 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 2kkt h ARG 202 CO -0.03 0.74 -0.16 0.77 -1.51 0.00 0.00 179.97 179.79 2kkt h SER 203 N 1.10 0.35 0.46 -3.80 0.02 -0.74 -2.92 113.55 108.03 2kkt h SER 203 Ca 0.29 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 2kkt h SER 203 Cb -0.08 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.37 2kkt h SER 203 CO -0.06 0.54 -0.22 0.25 -1.14 0.00 0.00 176.83 176.20 2kkt h LEU 204 N 0.34 -0.53 -0.31 5.07 6.46 0.96 -2.67 115.31 124.63 2kkt h LEU 204 Ca 0.06 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 2kkt h LEU 204 Cb 0.48 0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.55 2kkt h LEU 204 CO 0.03 -0.37 0.08 0.18 -0.62 0.00 0.00 178.44 177.74 2kkt n LEU 205 N -5.35 0.12 0.16 2.25 7.99 -0.33 0.62 117.00 122.46 2kkt n LEU 205 Ca -0.12 0.49 0.06 0.00 -0.01 0.00 0.00 56.01 56.44 2kkt n LEU 205 Cb 0.26 -0.50 0.07 0.00 -0.11 0.00 0.00 43.42 43.14 2kkt n LEU 205 CO 0.36 -0.53 0.53 0.74 -1.51 0.00 0.00 177.39 176.98 2kkt h THR 206 N 0.00 0.51 0.00 -5.08 2.02 -1.41 -3.41 112.91 105.54 2kkt h THR 206 Ca 0.00 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.45 2kkt h THR 206 Cb 0.16 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 2kkt h THR 206 CO 0.00 0.29 -0.05 1.07 0.37 0.00 0.00 175.52 177.20 2kkt n THR 207 N -3.14 0.00 -4.51 3.16 5.66 0.07 -5.04 114.28 110.48 2kkt n THR 207 Ca 0.02 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.68 2kkt n THR 207 Cb 0.66 0.01 -0.11 0.00 -1.55 0.00 0.00 70.33 69.34 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 -0.29 3.01 0.00 1.09 -0.21 0.20 -3.58 119.66 119.88 2kkt s GLN 208 Ca 0.00 -0.50 0.00 0.00 0.02 0.00 0.00 55.36 54.88 2kkt s GLN 208 Cb 0.00 -2.71 0.00 0.00 1.00 0.00 0.00 33.01 31.30 2kkt s GLN 208 CO 0.00 0.58 0.55 0.00 -2.12 0.00 0.00 175.29 174.31 2kkt n GLY 210 N -0.93 0.49 3.70 0.00 0.00 0.21 -4.77 105.19 103.89 2kkt n GLY 210 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.24 4.29 -0.31 1.61 0.11 -1.26 -3.73 120.40 118.87 2kkt s VAL 211 Ca 0.00 1.63 -0.26 0.00 -2.93 0.00 0.00 61.98 60.42 2kkt s VAL 211 Cb 0.00 -4.05 0.01 0.00 -1.53 0.00 0.00 36.38 30.81 2kkt s VAL 211 CO 0.00 0.05 0.91 -0.63 -3.33 0.00 0.00 175.10 172.10 2kkt s ILE 212 N 1.72 4.67 0.12 7.04 1.01 -1.26 -0.18 121.20 134.32 2kkt s ILE 212 Ca 0.56 1.40 -0.29 0.00 0.00 0.00 0.00 60.65 62.32 2kkt s ILE 212 Cb -0.25 -4.26 -0.07 0.00 0.01 0.00 0.00 42.46 37.89 2kkt s ILE 212 CO 0.25 -0.35 1.60 -1.28 0.00 0.00 0.00 174.94 175.15 2kkt h SER 213 N 8.12 -1.16 -5.06 3.58 0.87 -1.92 -3.46 113.55 114.52 2kkt h SER 213 Ca -0.23 0.15 0.09 0.00 -1.23 0.00 0.00 61.79 60.57 2kkt h SER 213 Cb 1.08 0.46 -0.06 0.00 -0.44 0.00 0.00 62.40 63.44 2kkt h SER 213 CO 0.95 -0.43 0.29 -1.83 -0.53 0.00 0.00 176.83 175.28 2kkt s GLU 214 N -5.94 1.61 0.00 2.24 4.04 -1.26 -5.05 118.70 114.34 2kkt s GLU 214 Ca -0.16 -0.87 0.00 0.00 0.04 0.00 0.00 54.97 53.98 2kkt s GLU 214 Cb 0.09 0.56 0.00 0.00 0.02 0.00 0.00 34.13 34.80 2kkt s GLU 214 CO 0.64 -0.74 0.81 0.72 -1.84 0.00 0.00 175.26 174.86 2kkt n HIS 215 N -0.45 0.00 -0.04 4.83 8.25 -1.26 -1.73 115.22 124.82 2kkt n HIS 215 Ca -0.05 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.39 2kkt n HIS 215 Cb 0.60 -0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.57 2kkt n HIS 215 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2kkt n THR 216 N -0.50 1.00 -1.10 1.59 -1.04 -1.26 -4.91 114.28 108.06 2kkt n THR 216 Ca 0.00 -0.72 0.00 0.00 -2.04 0.00 0.00 64.05 61.29 2kkt n THR 216 Cb 0.00 -0.45 0.00 0.00 -1.82 0.00 0.00 70.33 68.06 2kkt n THR 216 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2kkt n LYS 217 N -2.68 2.58 -1.07 -2.82 4.76 -0.70 -5.13 118.16 113.09 2kkt n LYS 217 Ca -0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 2kkt n LYS 217 Cb 0.92 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.11 2kkt n LYS 217 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2kkt n LYS 218 N 0.00 0.82 -2.40 1.97 5.02 -1.26 -4.88 118.16 117.43 2kkt n LYS 218 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 2kkt n LYS 218 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 2kkt n LYS 218 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2kkt s MET 219 N -0.61 4.45 0.56 1.97 -1.94 -1.26 -3.56 119.30 118.91 2kkt s MET 219 Ca 0.00 1.84 -0.18 0.00 -1.71 0.00 0.00 55.69 55.63 2kkt s MET 219 Cb 0.00 -3.01 -0.05 0.00 2.01 0.00 0.00 34.83 33.78 2kkt s MET 219 CO 0.00 0.03 1.11 0.00 -0.01 0.00 0.00 175.02 176.14 2kkt n THR 221 N -1.54 0.67 -0.41 0.00 -2.24 -1.26 0.68 114.28 110.18 2kkt n THR 221 Ca 0.11 -0.49 -0.02 0.00 -2.27 0.00 0.00 64.05 61.38 2kkt n THR 221 Cb 0.52 -0.46 0.02 0.00 -2.10 0.00 0.00 70.33 68.30 2kkt n THR 221 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2kkt n ARG 222 N -2.36 -1.41 -0.64 -0.78 3.00 -1.26 -4.44 116.66 108.77 2kkt n ARG 222 Ca -0.17 -0.12 -0.29 0.00 -0.01 0.00 0.00 57.85 57.27 2kkt n ARG 222 Cb 0.79 -0.12 0.22 0.00 0.00 0.00 0.00 32.46 33.35 2kkt n ARG 222 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2kkt s SER 223 N -1.80 1.71 0.15 0.55 1.04 -1.26 0.69 113.70 114.78 2kkt s SER 223 Ca 0.05 1.71 -0.15 0.00 0.48 0.00 0.00 55.95 58.05 2kkt s SER 223 Cb -0.01 -2.37 0.03 0.00 0.10 0.00 0.00 66.02 63.77 2kkt s SER 223 CO 0.04 -3.78 1.74 -0.07 0.98 0.00 0.00 173.24 172.14 2kkt h LEU 224 N -2.33 0.61 0.00 2.42 3.38 -1.82 -2.14 115.31 115.43 2kkt h LEU 224 Ca -0.55 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.30 2kkt h LEU 224 Cb 1.31 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2kkt h LEU 224 CO 0.48 0.56 0.00 -2.11 0.09 0.00 0.00 178.44 177.46 2kkt n ARG 225 N -4.64 0.90 -0.22 1.13 -4.01 -1.26 -4.60 116.66 103.96 2kkt n ARG 225 Ca 0.01 0.00 -0.05 0.00 -1.04 0.00 0.00 57.85 56.77 2kkt n ARG 225 Cb 0.11 -1.36 -0.04 0.00 -3.04 0.00 0.00 32.46 28.13 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 -4.67 0.00 -1.04 0.00 -0.04 -1.26 -4.96 135.00 123.02 2kkt n PRO 227 Ca 0.02 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.50 2kkt n PRO 227 Cb 0.15 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.63 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 0.08 -1.88 0.54 7.27 -1.26 -5.00 117.38 117.13 2kkt n GLN 228 Ca 0.00 -1.66 -0.27 0.00 0.07 0.00 0.00 57.00 55.14 2kkt n GLN 228 Cb 0.00 -0.28 -0.05 0.00 2.41 0.00 0.00 30.24 32.32 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 -0.17 1.53 1.21 3.69 3.76 -1.26 -4.91 115.29 119.14 2kkt s HIS 229 Ca 0.21 1.10 -0.18 0.00 -0.15 0.00 0.00 55.06 56.04 2kkt s HIS 229 Cb 0.23 -3.85 0.29 0.00 1.11 0.00 0.00 32.58 30.36 2kkt s HIS 229 CO -0.10 -1.89 1.07 0.95 -0.85 0.00 0.00 174.74 173.93 2kkt s THR 230 N 11.31 1.63 0.53 1.30 -4.23 -1.26 -4.58 115.64 120.33 2kkt s THR 230 Ca 0.78 0.00 0.21 0.00 -1.18 0.00 0.00 61.69 61.50 2kkt s THR 230 Cb -0.10 -2.40 0.33 0.00 1.34 0.00 0.00 72.50 71.67 2kkt s THR 230 CO 0.08 0.00 2.08 -2.24 -0.54 0.00 0.00 174.62 174.00 2kkt h ASP 231 N -2.62 0.00 0.22 3.99 2.03 -1.97 0.45 116.42 118.52 2kkt h ASP 231 Ca -0.47 0.00 -0.27 0.00 -0.73 0.00 0.00 57.03 55.56 2kkt h ASP 231 Cb 1.31 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.83 2kkt h ASP 231 CO 0.38 0.00 -1.11 -0.33 -1.03 0.00 0.00 179.24 177.15 2kkt h GLU 232 N 0.00 0.54 -0.09 4.15 5.08 -1.97 0.18 114.58 122.47 2kkt h GLU 232 Ca 0.12 -0.66 -0.13 0.00 -1.00 0.00 0.00 59.36 57.69 2kkt h GLU 232 Cb 0.48 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2kkt h GLU 232 CO -0.00 1.27 -0.53 1.96 -1.00 0.00 0.00 179.01 180.71 2kkt h GLN 233 N 0.27 0.25 0.00 2.33 4.20 -1.38 0.38 115.11 121.15 2kkt h GLN 233 Ca -0.14 -0.15 -0.11 0.00 0.06 0.00 0.00 58.65 58.31 2kkt h GLN 233 Cb 1.78 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.56 2kkt h GLN 233 CO 0.21 0.72 -0.52 0.00 -0.67 0.00 0.00 178.83 178.56 2kkt h ARG 234 N 0.20 0.00 0.06 1.46 2.47 -0.12 -3.34 114.38 115.11 2kkt h ARG 234 Ca 0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2kkt h ARG 234 Cb 1.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.32 2kkt h ARG 234 CO 0.08 0.52 -0.03 -0.09 0.56 0.00 0.00 179.97 181.01 2kkt h ARG 235 N 0.00 -0.08 -0.92 0.04 9.65 -0.14 -3.37 114.38 119.55 2kkt h ARG 235 Ca -0.01 0.01 0.14 0.00 -1.10 0.00 0.00 59.98 59.02 2kkt h ARG 235 Cb 1.18 0.02 -0.09 0.00 -1.39 0.00 0.00 29.97 29.69 2kkt h ARG 235 CO 0.07 0.23 0.54 0.00 2.80 0.00 0.00 179.97 183.61 2kkt h THR 236 N -0.99 0.80 0.00 0.20 1.03 -0.41 -1.71 112.91 111.83 2kkt h THR 236 Ca -0.01 -0.27 -0.18 0.00 -0.01 0.00 0.00 66.41 65.95 2kkt h THR 236 Cb 0.35 -0.05 -0.03 0.00 -1.07 0.00 0.00 68.15 67.36 2kkt h THR 236 CO 0.01 0.14 -0.84 1.62 -0.01 0.00 0.00 175.52 176.45 2kkt h VAL 237 N 0.78 1.59 0.00 0.00 3.04 -1.76 0.19 116.25 120.09 2kkt h VAL 237 Ca 0.49 -2.89 -0.25 0.00 -1.01 0.00 0.00 66.70 63.04 2kkt h VAL 237 Cb 0.62 2.57 0.01 0.00 -2.01 0.00 0.00 31.29 32.48 2kkt h VAL 237 CO -0.32 0.82 -1.01 0.03 -1.01 0.00 0.00 177.57 176.08 2kkt h ARG 238 N 0.00 0.60 -0.51 4.17 3.08 -1.51 0.12 114.38 120.34 2kkt h ARG 238 Ca -0.01 -0.65 -0.06 0.00 0.07 0.00 0.00 59.98 59.32 2kkt h ARG 238 Cb 1.50 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.71 2kkt h ARG 238 CO 0.11 1.26 0.05 0.28 -1.07 0.00 0.00 179.97 180.60 2kkt h VAL 239 N 0.34 1.24 0.04 2.04 2.07 -1.20 0.46 116.25 121.23 2kkt h VAL 239 Ca -0.11 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.47 2kkt h VAL 239 Cb 1.66 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 2kkt h VAL 239 CO 0.19 0.34 -0.02 0.22 0.02 0.00 0.00 177.57 178.32 2kkt h TYR 240 N 0.78 -0.04 0.05 1.57 3.20 -0.38 -2.51 116.97 119.63 2kkt h TYR 240 Ca 0.16 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 2kkt h TYR 240 Cb 0.39 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.68 2kkt h TYR 240 CO 0.02 0.48 -0.02 0.74 -1.64 0.00 0.00 178.16 177.74 2kkt h PHE 241 N -0.60 -0.06 -0.01 -3.82 0.04 -0.60 -3.39 116.94 108.50 2kkt h PHE 241 Ca -0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2kkt h PHE 241 Cb 0.55 0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.72 2kkt h PHE 241 CO 0.11 0.58 -0.12 1.47 -0.60 0.00 0.00 178.31 179.75 2kkt n LEU 242 N -4.78 1.46 0.00 1.54 -0.00 0.16 -5.07 117.00 110.30 2kkt n LEU 242 Ca -0.08 -0.86 0.00 0.00 -0.00 0.00 0.00 56.01 55.07 2kkt n LEU 242 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.75 2kkt n LEU 242 CO 0.30 0.29 0.00 0.61 -0.00 0.00 0.00 177.39 178.58 2kkt n GLY 243 N 0.76 2.94 0.24 1.47 0.00 -0.78 -4.71 105.19 105.11 2kkt n GLY 243 Ca 0.05 -1.90 0.10 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.33 1.61 0.11 -1.84 -2.79 132.00 128.75 2kkt h PRO 244 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2kkt h PRO 244 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2kkt h PRO 244 CO 0.00 0.18 0.00 0.43 -0.21 0.00 0.00 178.00 178.40 2kkt n SER 245 N -3.76 0.86 -4.56 -2.05 7.64 -1.26 -4.73 113.62 105.76 2kkt n SER 245 Ca -0.02 -2.04 -0.39 0.00 1.01 0.00 0.00 58.87 57.44 2kkt n SER 245 Cb 0.29 -0.19 -0.03 0.00 -1.01 0.00 0.00 64.21 63.26 2kkt n SER 245 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kkt s ALA 246 N -1.69 2.54 -0.30 -0.43 0.00 -1.05 -4.37 121.76 116.46 2kkt s ALA 246 Ca 0.07 -1.86 -0.13 0.00 0.00 0.00 0.00 51.96 50.05 2kkt s ALA 246 Cb 0.04 -4.46 0.02 0.00 0.00 0.00 0.00 23.12 18.72 2kkt s ALA 246 CO 0.04 -3.72 0.30 0.28 0.00 0.00 0.00 175.76 172.66 2kkt n VAL 247 N 6.92 -7.61 -1.73 0.00 0.31 -1.26 -4.85 118.33 110.12 2kkt n VAL 247 Ca 0.26 0.89 -0.42 0.00 -0.01 0.00 0.00 64.34 65.06 2kkt n VAL 247 Cb 0.50 -5.34 -0.03 0.00 -0.91 0.00 0.00 33.84 28.06 2kkt n VAL 247 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2kkt s LEU 248 N -1.92 4.38 0.00 7.52 2.01 -1.26 -5.18 118.68 124.23 2kkt s LEU 248 Ca 0.15 2.85 0.28 0.00 0.01 0.00 0.00 54.13 57.42 2kkt s LEU 248 Cb -0.03 -3.59 1.14 0.00 0.01 0.00 0.00 46.19 43.72 2kkt s LEU 248 CO 0.62 -0.98 1.80 -0.81 1.01 0.00 0.00 176.35 177.98