#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 0.25 0.00 -0.52 5.08 -2.02 0.89 114.58 118.25 2kkt h GLU 199 Ca 0.00 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 2kkt h GLU 199 Cb 0.00 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2kkt h GLU 199 CO 0.00 0.43 -0.62 1.05 -1.00 0.00 0.00 179.01 178.87 2kkt h GLU 200 N 0.03 0.00 0.22 2.33 9.09 -2.04 0.86 114.58 125.07 2kkt h GLU 200 Ca 0.05 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.45 2kkt h GLU 200 Cb 0.30 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.40 2kkt h GLU 200 CO 0.00 0.62 -0.11 1.25 0.05 0.00 0.00 179.01 180.82 2kkt h LEU 201 N 0.00 -0.28 -0.58 3.06 6.46 -1.94 0.22 115.31 122.25 2kkt h LEU 201 Ca -0.01 0.01 0.07 0.00 -0.12 0.00 0.00 57.88 57.83 2kkt h LEU 201 Cb 1.21 0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 41.16 2kkt h LEU 201 CO 0.08 -0.19 0.27 -0.09 -0.62 0.00 0.00 178.44 177.89 2kkt h ARG 202 N -0.31 0.49 0.00 1.25 1.12 -0.55 -0.11 114.38 116.26 2kkt h ARG 202 Ca -0.03 -0.03 -0.05 0.00 -1.11 0.00 0.00 59.98 58.76 2kkt h ARG 202 Cb 0.24 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 30.09 2kkt h ARG 202 CO 0.04 0.32 -0.26 0.77 -3.11 0.00 0.00 179.97 177.74 2kkt h SER 203 N 0.51 0.00 0.61 -3.80 0.02 -0.52 -2.84 113.55 107.53 2kkt h SER 203 Ca 0.27 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.19 2kkt h SER 203 Cb 0.24 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.78 2kkt h SER 203 CO -0.22 0.26 -0.29 0.25 -1.14 0.00 0.00 176.83 175.68 2kkt h LEU 204 N 0.00 -0.70 -1.65 5.07 6.46 0.86 -3.26 115.31 122.10 2kkt h LEU 204 Ca -0.00 0.02 0.06 0.00 -0.12 0.00 0.00 57.88 57.85 2kkt h LEU 204 Cb 0.47 0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.58 2kkt h LEU 204 CO 0.03 -0.37 0.54 -0.07 -0.62 0.00 0.00 178.44 177.95 2kkt h LEU 205 N -1.07 0.00 -0.58 2.25 -0.00 -0.85 0.65 115.31 115.72 2kkt h LEU 205 Ca -0.08 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.65 2kkt h LEU 205 Cb 0.63 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.28 2kkt h LEU 205 CO 0.14 0.00 -0.39 0.74 -0.00 0.00 0.00 178.44 178.93 2kkt h THR 206 N 0.00 1.29 0.00 0.22 2.02 -1.56 -3.39 112.91 111.49 2kkt h THR 206 Ca 0.11 -1.56 0.00 0.00 0.77 0.00 0.00 66.41 65.73 2kkt h THR 206 Cb 1.18 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 2kkt h THR 206 CO -0.00 0.50 -0.07 1.07 0.37 0.00 0.00 175.52 177.39 2kkt n THR 207 N -4.04 0.00 -4.49 3.16 5.66 0.01 -5.04 114.28 109.54 2kkt n THR 207 Ca -0.02 -0.14 -0.32 0.00 -3.05 0.00 0.00 64.05 60.52 2kkt n THR 207 Cb 0.52 0.83 -0.11 0.00 -1.55 0.00 0.00 70.33 70.02 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 -0.43 2.48 0.00 1.09 -0.21 0.21 -4.35 119.66 118.44 2kkt s GLN 208 Ca 0.00 -0.76 0.00 0.00 0.02 0.00 0.00 55.36 54.62 2kkt s GLN 208 Cb 0.00 -2.45 0.00 0.00 1.00 0.00 0.00 33.01 31.56 2kkt s GLN 208 CO 0.00 0.59 0.25 0.00 -2.12 0.00 0.00 175.29 174.01 2kkt n GLY 210 N -0.44 1.00 3.70 0.00 0.00 0.15 -4.66 105.19 104.95 2kkt n GLY 210 Ca 0.00 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.23 4.85 -0.44 1.61 0.11 -1.26 -3.98 120.40 119.07 2kkt s VAL 211 Ca 0.00 2.02 -0.27 0.00 -2.93 0.00 0.00 61.98 60.80 2kkt s VAL 211 Cb 0.00 -4.30 -0.03 0.00 -1.53 0.00 0.00 36.38 30.52 2kkt s VAL 211 CO 0.00 0.12 1.95 -0.63 -3.33 0.00 0.00 175.10 173.21 2kkt s ILE 212 N 1.29 3.32 0.16 7.04 1.01 -1.26 -0.06 121.20 132.71 2kkt s ILE 212 Ca 0.50 0.28 -0.11 0.00 0.00 0.00 0.00 60.65 61.32 2kkt s ILE 212 Cb -0.20 -3.59 0.04 0.00 0.01 0.00 0.00 42.46 38.72 2kkt s ILE 212 CO 0.25 -0.48 1.63 -1.28 0.00 0.00 0.00 174.94 175.05 2kkt h SER 213 N 14.78 0.94 -4.52 3.58 0.87 -1.52 -3.45 113.55 124.23 2kkt h SER 213 Ca -0.30 -0.30 0.09 0.00 -1.23 0.00 0.00 61.79 60.05 2kkt h SER 213 Cb 1.19 -0.25 -0.18 0.00 -0.44 0.00 0.00 62.40 62.72 2kkt h SER 213 CO 1.11 1.01 0.48 -0.70 -0.53 0.00 0.00 176.83 178.20 2kkt s GLU 214 N -5.05 0.78 0.33 2.24 2.56 -1.26 -4.98 118.70 113.31 2kkt s GLU 214 Ca -0.12 -0.14 0.01 0.00 0.00 0.00 0.00 54.97 54.72 2kkt s GLU 214 Cb 0.13 0.36 0.58 0.00 2.00 0.00 0.00 34.13 37.19 2kkt s GLU 214 CO 0.84 -0.31 1.97 0.45 -0.56 0.00 0.00 175.26 177.65 2kkt h HIS 215 N 2.23 0.91 0.00 5.30 3.86 -1.90 0.92 115.15 126.46 2kkt h HIS 215 Ca -0.22 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 2kkt h HIS 215 Cb 1.21 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 29.38 2kkt h HIS 215 CO 0.27 0.54 0.00 -2.37 0.86 0.00 0.00 177.93 177.24 2kkt n THR 216 N -4.44 0.36 -0.02 2.45 5.66 -1.26 -3.58 114.28 113.44 2kkt n THR 216 Ca 0.09 -0.14 0.07 0.00 -3.05 0.00 0.00 64.05 61.02 2kkt n THR 216 Cb 0.10 -0.57 -0.15 0.00 -1.55 0.00 0.00 70.33 68.15 2kkt n THR 216 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2kkt n LYS 217 N -1.93 0.67 -0.06 1.09 4.81 0.10 -5.09 118.16 117.74 2kkt n LYS 217 Ca 0.06 -0.15 0.01 0.00 -0.87 0.00 0.00 58.31 57.36 2kkt n LYS 217 Cb 0.38 -1.47 -0.00 0.00 0.02 0.00 0.00 35.03 33.96 2kkt n LYS 217 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2kkt n LYS 218 N -2.28 -0.12 -1.71 1.64 5.02 0.05 -4.84 118.16 115.93 2kkt n LYS 218 Ca -0.08 0.08 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 2kkt n LYS 218 Cb 0.62 -0.15 0.01 0.00 -0.02 0.00 0.00 35.03 35.50 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 -0.73 1.94 -1.90 1.97 2.81 -1.26 -1.29 117.12 118.66 2kkt n MET 219 Ca 0.00 0.69 -0.31 0.00 -1.81 0.00 0.00 57.70 56.28 2kkt n MET 219 Cb 0.03 -2.40 0.02 0.00 -0.71 0.00 0.00 33.22 30.16 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 -2.81 0.90 -0.12 0.00 -2.24 -1.26 0.29 114.28 109.04 2kkt n THR 221 Ca 0.06 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2kkt n THR 221 Cb 0.55 -1.07 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 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 -2.97 0.14 -0.91 -0.78 1.74 -1.26 -4.23 116.66 108.38 2kkt n ARG 222 Ca -0.28 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.51 2kkt n ARG 222 Cb 0.80 0.00 0.19 0.00 -1.02 0.00 0.00 32.46 32.42 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 -1.67 2.36 0.13 0.55 0.15 -1.26 0.20 113.70 114.17 2kkt s SER 223 Ca 0.00 1.52 -0.19 0.00 0.70 0.00 0.00 55.95 57.98 2kkt s SER 223 Cb 0.00 -2.20 -0.01 0.00 -1.71 0.00 0.00 66.02 62.10 2kkt s SER 223 CO 0.00 -3.34 1.71 -0.07 1.20 0.00 0.00 173.24 172.74 2kkt h LEU 224 N -2.03 -0.11 -0.14 3.45 3.38 -1.83 -1.51 115.31 116.51 2kkt h LEU 224 Ca -0.54 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2kkt h LEU 224 Cb 1.31 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.16 2kkt h LEU 224 CO 0.52 -0.03 -0.02 -2.11 0.09 0.00 0.00 178.44 176.89 2kkt n ARG 225 N -5.16 0.86 0.00 1.13 -4.01 -1.26 -4.59 116.66 103.64 2kkt n ARG 225 Ca -0.02 -0.14 0.00 0.00 -1.04 0.00 0.00 57.85 56.66 2kkt n ARG 225 Cb 0.13 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 28.05 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 -2.19 0.00 -1.58 0.00 -0.05 -1.26 -4.89 135.00 125.03 2kkt n PRO 227 Ca 0.00 0.00 0.01 0.00 -0.05 0.00 0.00 63.50 63.46 2kkt n PRO 227 Cb 0.00 -0.02 0.01 0.00 -0.05 0.00 0.00 33.50 33.44 2kkt n PRO 227 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 175.50 176.39 2kkt n GLN 228 N -1.48 0.25 -2.66 0.54 7.27 -1.25 -5.05 117.38 115.00 2kkt n GLN 228 Ca 0.00 -1.89 -0.42 0.00 0.07 0.00 0.00 57.00 54.76 2kkt n GLN 228 Cb 0.00 -0.04 -0.03 0.00 2.41 0.00 0.00 30.24 32.59 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 -0.41 2.65 0.76 3.69 3.76 -1.24 -4.98 115.29 119.52 2kkt s HIS 229 Ca 0.24 0.27 -0.07 0.00 -0.15 0.00 0.00 55.06 55.35 2kkt s HIS 229 Cb 0.29 -4.38 0.11 0.00 1.11 0.00 0.00 32.58 29.70 2kkt s HIS 229 CO -0.11 -1.53 1.07 0.95 -0.85 0.00 0.00 174.74 174.27 2kkt s THR 230 N 4.67 2.20 0.50 1.30 -4.23 -1.26 -4.06 115.64 114.76 2kkt s THR 230 Ca 0.39 -0.31 0.15 0.00 -1.18 0.00 0.00 61.69 60.74 2kkt s THR 230 Cb -0.09 -2.89 0.26 0.00 1.34 0.00 0.00 72.50 71.13 2kkt s THR 230 CO 0.23 0.00 2.13 -0.78 -0.54 0.00 0.00 174.62 175.66 2kkt h ASP 231 N -0.78 0.04 -0.64 3.99 3.58 -1.94 0.11 116.42 120.78 2kkt h ASP 231 Ca -0.42 -0.00 -0.04 0.00 0.42 0.00 0.00 57.03 56.98 2kkt h ASP 231 Cb 1.29 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 42.30 2kkt h ASP 231 CO 0.50 0.05 0.24 -0.33 -2.88 0.00 0.00 179.24 176.81 2kkt h GLU 232 N 0.05 0.97 -0.05 0.28 5.08 -1.98 0.18 114.58 119.11 2kkt h GLU 232 Ca 0.01 -0.19 -0.17 0.00 -1.00 0.00 0.00 59.36 58.01 2kkt h GLU 232 Cb 0.02 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2kkt h GLU 232 CO -0.00 0.83 -0.72 1.96 -1.00 0.00 0.00 179.01 180.08 2kkt h GLN 233 N 0.91 0.26 -0.28 2.33 4.20 -1.50 0.16 115.11 121.19 2kkt h GLN 233 Ca 0.21 -0.21 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 2kkt h GLN 233 Cb 0.24 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2kkt h GLN 233 CO -0.01 0.87 -0.53 0.00 -0.67 0.00 0.00 178.83 178.49 2kkt h ARG 234 N 0.17 0.85 0.02 1.46 2.47 -0.30 -3.31 114.38 115.74 2kkt h ARG 234 Ca -0.02 -0.54 -0.00 0.00 -1.26 0.00 0.00 59.98 58.15 2kkt h ARG 234 Cb 1.28 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.67 2kkt h ARG 234 CO 0.11 1.17 -0.01 -0.09 0.56 0.00 0.00 179.97 181.72 2kkt h ARG 235 N 0.62 -0.03 -0.93 0.04 2.43 -0.50 -3.32 114.38 112.70 2kkt h ARG 235 Ca 0.01 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.34 2kkt h ARG 235 Cb 1.14 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.62 2kkt h ARG 235 CO 0.12 0.54 0.59 0.00 -1.51 0.00 0.00 179.97 179.72 2kkt h THR 236 N -0.62 0.79 0.01 0.20 1.03 -0.77 -0.83 112.91 112.72 2kkt h THR 236 Ca -0.00 -0.24 -0.23 0.00 -0.01 0.00 0.00 66.41 65.92 2kkt h THR 236 Cb 0.58 0.03 -0.03 0.00 -1.07 0.00 0.00 68.15 67.66 2kkt h THR 236 CO 0.00 0.13 -1.20 1.62 -0.01 0.00 0.00 175.52 176.06 2kkt h VAL 237 N 0.70 1.48 0.02 0.00 3.04 -1.69 -0.81 116.25 118.99 2kkt h VAL 237 Ca 0.48 -3.22 -0.27 0.00 -1.01 0.00 0.00 66.70 62.69 2kkt h VAL 237 Cb 0.80 2.74 0.02 0.00 -2.01 0.00 0.00 31.29 32.84 2kkt h VAL 237 CO -0.24 0.85 -1.06 0.03 -1.01 0.00 0.00 177.57 176.13 2kkt h ARG 238 N 0.00 0.66 -0.11 4.17 3.08 -1.36 0.10 114.38 120.92 2kkt h ARG 238 Ca -0.09 -0.73 -0.04 0.00 0.07 0.00 0.00 59.98 59.19 2kkt h ARG 238 Cb 1.84 0.21 -0.01 0.00 0.08 0.00 0.00 29.97 32.09 2kkt h ARG 238 CO 0.12 1.31 -0.13 0.28 -1.07 0.00 0.00 179.97 180.48 2kkt h VAL 239 N 0.36 1.16 0.07 2.04 2.07 -1.22 0.44 116.25 121.16 2kkt h VAL 239 Ca -0.13 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 2kkt h VAL 239 Cb 1.71 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 2kkt h VAL 239 CO 0.20 0.21 -0.03 0.22 0.02 0.00 0.00 177.57 178.19 2kkt h TYR 240 N 0.16 -0.08 0.01 1.57 3.20 -0.69 -3.11 116.97 118.02 2kkt h TYR 240 Ca 0.03 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 2kkt h TYR 240 Cb 0.33 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.63 2kkt h TYR 240 CO 0.00 0.49 -0.00 0.74 -1.64 0.00 0.00 178.16 177.75 2kkt h PHE 241 N -0.79 -0.01 0.00 -3.82 0.04 -0.58 -3.40 116.94 108.38 2kkt h PHE 241 Ca -0.01 -0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.50 2kkt h PHE 241 Cb 0.61 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.72 2kkt h PHE 241 CO 0.13 0.72 -2.11 1.47 -0.60 0.00 0.00 178.31 177.92 2kkt n LEU 242 N -4.67 0.20 0.00 1.54 -0.00 0.14 -5.07 117.00 109.13 2kkt n LEU 242 Ca -0.07 0.09 0.00 0.00 -0.00 0.00 0.00 56.01 56.03 2kkt n LEU 242 Cb 0.35 0.31 0.00 0.00 -0.00 0.00 0.00 43.42 44.08 2kkt n LEU 242 CO 0.25 0.33 0.00 0.61 -0.00 0.00 0.00 177.39 178.59 2kkt n GLY 243 N 1.58 4.34 0.25 1.47 0.00 -0.19 -4.92 105.19 107.71 2kkt n GLY 243 Ca -0.22 -1.45 0.02 0.00 0.00 0.00 0.00 46.02 44.37 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 0.18 -4.23 1.61 0.11 -1.82 -2.81 132.00 125.04 2kkt h PRO 244 Ca 0.00 -0.01 -0.73 0.00 0.11 0.00 0.00 66.00 65.37 2kkt h PRO 244 Cb 0.00 -0.04 -0.12 0.00 0.11 0.00 0.00 31.00 30.94 2kkt h PRO 244 CO 0.00 0.12 2.14 0.43 -0.21 0.00 0.00 178.00 180.48 2kkt n SER 245 N -5.21 4.83 -0.53 -2.05 7.64 -1.26 -4.59 113.62 112.45 2kkt n SER 245 Ca 0.11 -2.99 0.13 0.00 1.01 0.00 0.00 58.87 57.12 2kkt n SER 245 Cb 0.38 -1.58 0.47 0.00 -1.01 0.00 0.00 64.21 62.48 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 5.39 2.56 -3.64 -0.43 0.00 -1.06 -4.34 120.51 118.99 2kkt n ALA 246 Ca 0.43 -0.48 -0.29 0.00 0.00 0.00 0.00 53.44 53.09 2kkt n ALA 246 Cb 0.40 -1.13 -0.14 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.95 0.74 0.30 0.00 1.01 -1.26 -5.08 120.40 114.15 2kkt s VAL 247 Ca 0.36 -1.74 -0.29 0.00 0.00 0.00 0.00 61.98 60.31 2kkt s VAL 247 Cb 0.20 -1.54 -0.10 0.00 0.00 0.00 0.00 36.38 34.95 2kkt s VAL 247 CO 0.32 -0.83 1.13 -0.76 0.00 0.00 0.00 175.10 174.96 2kkt s LEU 248 N 1.16 4.51 0.00 3.92 2.01 -1.26 -5.18 118.68 123.84 2kkt s LEU 248 Ca 0.14 2.33 0.32 0.00 0.01 0.00 0.00 54.13 56.93 2kkt s LEU 248 Cb -0.21 -3.66 1.83 0.00 0.01 0.00 0.00 46.19 44.16 2kkt s LEU 248 CO -0.12 -0.23 2.18 -2.65 1.01 0.00 0.00 176.35 176.54