#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 0.28 -0.00 0.54 5.08 -2.01 -2.50 114.58 115.97 2kkt h GLU 199 Ca 0.00 -0.34 -0.18 0.00 -1.00 0.00 0.00 59.36 57.84 2kkt h GLU 199 Cb 0.00 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2kkt h GLU 199 CO 0.00 1.06 -0.80 1.05 -1.00 0.00 0.00 179.01 179.32 2kkt h GLU 200 N -0.34 0.10 -0.39 2.33 9.09 -2.05 -1.44 114.58 121.88 2kkt h GLU 200 Ca -0.07 -0.10 0.03 0.00 0.05 0.00 0.00 59.36 59.27 2kkt h GLU 200 Cb 1.25 0.03 -0.03 0.00 -1.65 0.00 0.00 28.75 28.35 2kkt h GLU 200 CO 0.09 0.85 0.20 1.25 0.05 0.00 0.00 179.01 181.45 2kkt h LEU 201 N 0.06 0.29 -1.43 3.06 6.46 -1.99 0.25 115.31 122.00 2kkt h LEU 201 Ca -0.02 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 2kkt h LEU 201 Cb 1.41 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 41.28 2kkt h LEU 201 CO 0.11 0.21 0.21 -0.09 -0.62 0.00 0.00 178.44 178.27 2kkt h ARG 202 N 0.40 0.60 -0.13 1.25 2.43 -1.18 0.35 114.38 118.09 2kkt h ARG 202 Ca 0.17 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 59.13 2kkt h ARG 202 Cb 0.07 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 2kkt h ARG 202 CO -0.12 0.46 -0.51 0.77 -1.51 0.00 0.00 179.97 179.06 2kkt h SER 203 N 0.60 0.40 0.63 -3.80 0.02 -0.42 -3.05 113.55 107.93 2kkt h SER 203 Ca 0.15 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 2kkt h SER 203 Cb 0.06 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.49 2kkt h SER 203 CO -0.02 0.85 -0.31 0.25 -1.14 0.00 0.00 176.83 176.46 2kkt h LEU 204 N 0.29 -0.74 0.00 5.07 6.46 0.10 -2.71 115.31 123.78 2kkt h LEU 204 Ca 0.01 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2kkt h LEU 204 Cb 1.00 0.19 0.00 0.00 -0.73 0.00 0.00 40.66 41.13 2kkt h LEU 204 CO 0.09 -0.52 0.05 0.18 -0.62 0.00 0.00 178.44 177.62 2kkt n LEU 205 N -5.46 0.00 -0.01 2.25 7.99 -0.04 0.39 117.00 122.12 2kkt n LEU 205 Ca -0.13 0.33 -0.14 0.00 -0.01 0.00 0.00 56.01 56.07 2kkt n LEU 205 Cb 0.35 -0.33 -0.02 0.00 -0.11 0.00 0.00 43.42 43.31 2kkt n LEU 205 CO 0.38 -0.33 0.35 0.74 -1.51 0.00 0.00 177.39 177.01 2kkt h THR 206 N 0.00 1.31 0.00 -5.08 2.02 -1.38 -3.41 112.91 106.38 2kkt h THR 206 Ca 0.00 -1.95 0.00 0.00 0.77 0.00 0.00 66.41 65.23 2kkt h THR 206 Cb 0.11 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 2kkt h THR 206 CO 0.00 0.61 -0.07 1.07 0.37 0.00 0.00 175.52 177.50 2kkt n THR 207 N -3.92 0.00 -3.85 3.16 5.66 -0.63 -5.07 114.28 109.63 2kkt n THR 207 Ca -0.05 -0.03 -0.37 0.00 -3.05 0.00 0.00 64.05 60.55 2kkt n THR 207 Cb 0.70 0.47 -0.06 0.00 -1.55 0.00 0.00 70.33 69.89 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 -0.20 3.48 0.00 1.09 -0.21 0.16 -3.04 119.66 120.94 2kkt s GLN 208 Ca 0.00 -0.11 0.00 0.00 0.02 0.00 0.00 55.36 55.27 2kkt s GLN 208 Cb 0.00 -3.18 0.00 0.00 1.00 0.00 0.00 33.01 30.83 2kkt s GLN 208 CO 0.00 0.76 0.66 0.00 -2.12 0.00 0.00 175.29 174.59 2kkt n GLY 210 N -0.99 0.43 3.66 0.00 0.00 0.18 -4.82 105.19 103.65 2kkt n GLY 210 Ca 0.00 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 -1.91 4.20 -0.14 1.61 0.11 -1.26 -3.96 120.40 119.05 2kkt s VAL 211 Ca 0.00 1.45 -0.29 0.00 -2.93 0.00 0.00 61.98 60.21 2kkt s VAL 211 Cb 0.00 -3.96 -0.05 0.00 -1.53 0.00 0.00 36.38 30.83 2kkt s VAL 211 CO 0.00 -0.16 1.95 -0.63 -3.33 0.00 0.00 175.10 172.93 2kkt s ILE 212 N 3.65 3.22 0.17 7.04 1.01 -1.26 -0.36 121.20 134.68 2kkt s ILE 212 Ca 0.57 0.25 -0.15 0.00 0.00 0.00 0.00 60.65 61.32 2kkt s ILE 212 Cb -0.22 -3.23 0.05 0.00 0.01 0.00 0.00 42.46 39.07 2kkt s ILE 212 CO 0.17 -0.10 1.83 -1.28 0.00 0.00 0.00 174.94 175.56 2kkt h SER 213 N 12.34 0.58 -0.24 3.58 0.87 0.11 -3.41 113.55 127.38 2kkt h SER 213 Ca -0.41 -0.02 0.11 0.00 -1.23 0.00 0.00 61.79 60.23 2kkt h SER 213 Cb 1.21 -0.14 -0.17 0.00 -0.44 0.00 0.00 62.40 62.86 2kkt h SER 213 CO 0.97 0.42 -0.13 -1.83 -0.53 0.00 0.00 176.83 175.73 2kkt s GLU 214 N -6.14 0.20 0.00 2.24 -1.05 -0.65 -4.99 118.70 108.32 2kkt s GLU 214 Ca -0.13 -0.09 0.00 0.00 -0.15 0.00 0.00 54.97 54.60 2kkt s GLU 214 Cb 0.12 0.02 0.00 0.00 -0.44 0.00 0.00 34.13 33.83 2kkt s GLU 214 CO 0.74 -0.29 0.00 -2.39 0.95 0.00 0.00 175.26 174.27 2kkt n HIS 215 N 3.58 0.00 0.15 4.83 1.44 -1.26 -0.89 115.22 123.06 2kkt n HIS 215 Ca 0.06 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.80 2kkt n HIS 215 Cb 0.63 0.00 0.14 0.00 0.12 0.00 0.00 29.99 30.88 2kkt n HIS 215 CO 0.00 0.00 0.00 1.15 -2.81 0.00 0.00 176.34 174.68 2kkt h THR 216 N 0.00 0.94 -3.39 0.61 2.02 -1.98 -3.39 112.91 107.72 2kkt h THR 216 Ca 0.00 -2.04 -0.67 0.00 0.77 0.00 0.00 66.41 64.46 2kkt h THR 216 Cb 0.00 2.26 -0.17 0.00 -1.74 0.00 0.00 68.15 68.50 2kkt h THR 216 CO 0.00 0.48 0.05 -0.75 0.37 0.00 0.00 175.52 175.68 2kkt s LYS 217 N -3.19 3.17 0.00 6.66 2.20 -0.07 -5.01 119.74 123.50 2kkt s LYS 217 Ca 0.02 -0.69 0.00 0.00 -0.36 0.00 0.00 55.97 54.94 2kkt s LYS 217 Cb 0.09 -4.03 0.00 0.00 -1.51 0.00 0.00 37.83 32.38 2kkt s LYS 217 CO 0.73 -1.12 0.00 1.63 -0.36 0.00 0.00 175.35 176.23 2kkt n LYS 218 N 6.17 -1.31 -1.91 4.03 5.02 -1.26 -0.09 118.16 128.81 2kkt n LYS 218 Ca -0.05 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.86 2kkt n LYS 218 Cb 0.46 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.50 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 -2.71 3.24 0.40 1.97 -1.94 -1.26 -1.12 119.30 117.88 2kkt s MET 219 Ca 0.00 2.09 -0.12 0.00 -1.71 0.00 0.00 55.69 55.95 2kkt s MET 219 Cb 0.00 -2.25 -0.07 0.00 2.01 0.00 0.00 34.83 34.52 2kkt s MET 219 CO 0.00 -1.07 0.79 0.00 -0.01 0.00 0.00 175.02 174.73 2kkt n THR 221 N -1.09 0.00 -0.41 0.00 -2.24 -1.26 0.49 114.28 109.77 2kkt n THR 221 Ca 0.03 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2kkt n THR 221 Cb 0.54 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 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 -1.72 -0.69 -0.64 -0.78 3.00 -1.26 -4.43 116.66 110.14 2kkt n ARG 222 Ca -0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 57.85 57.53 2kkt n ARG 222 Cb 0.22 0.00 0.20 0.00 0.00 0.00 0.00 32.46 32.88 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 -1.51 2.19 0.14 0.55 1.04 -1.26 0.82 113.70 115.67 2kkt s SER 223 Ca 0.00 1.96 -0.21 0.00 0.48 0.00 0.00 55.95 58.17 2kkt s SER 223 Cb 0.00 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.64 2kkt s SER 223 CO 0.00 -3.52 1.67 -0.07 0.98 0.00 0.00 173.24 172.30 2kkt h LEU 224 N -2.15 -0.47 -0.68 2.42 3.38 -1.79 -2.05 115.31 113.96 2kkt h LEU 224 Ca -0.50 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2kkt h LEU 224 Cb 1.29 0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.28 2kkt h LEU 224 CO 0.45 -0.19 0.00 -2.11 0.09 0.00 0.00 178.44 176.68 2kkt n ARG 225 N -5.30 1.45 0.00 1.13 -4.01 -1.25 -4.64 116.66 104.04 2kkt n ARG 225 Ca -0.02 -0.68 0.00 0.00 -1.04 0.00 0.00 57.85 56.11 2kkt n ARG 225 Cb 0.22 -1.35 0.00 0.00 -3.04 0.00 0.00 32.46 28.28 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 -2.58 0.00 -1.89 0.00 -0.05 -1.26 -4.91 135.00 124.31 2kkt n PRO 227 Ca 0.00 0.00 0.02 0.00 -0.05 0.00 0.00 63.50 63.47 2kkt n PRO 227 Cb 0.00 0.00 0.03 0.00 -0.05 0.00 0.00 33.50 33.48 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 -1.29 0.54 -2.94 0.54 7.27 -1.26 -5.04 117.38 115.20 2kkt n GLN 228 Ca 0.00 -2.33 -0.43 0.00 0.07 0.00 0.00 57.00 54.31 2kkt n GLN 228 Cb 0.00 -0.41 -0.04 0.00 2.41 0.00 0.00 30.24 32.20 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 -1.08 2.79 0.89 3.69 3.76 -1.26 -5.01 115.29 119.08 2kkt s HIS 229 Ca 0.29 -0.55 -0.12 0.00 -0.15 0.00 0.00 55.06 54.52 2kkt s HIS 229 Cb 0.34 -4.13 0.17 0.00 1.11 0.00 0.00 32.58 30.07 2kkt s HIS 229 CO -0.12 -1.47 1.23 0.95 -0.85 0.00 0.00 174.74 174.48 2kkt s THR 230 N 3.63 2.04 0.45 1.30 -4.23 -1.26 -3.96 115.64 113.61 2kkt s THR 230 Ca 0.20 -0.11 0.18 0.00 -1.18 0.00 0.00 61.69 60.78 2kkt s THR 230 Cb -0.18 -2.93 0.21 0.00 1.34 0.00 0.00 72.50 70.95 2kkt s THR 230 CO 0.11 0.00 2.02 -2.24 -0.54 0.00 0.00 174.62 173.97 2kkt h ASP 231 N -1.33 0.00 -0.43 3.99 2.03 -1.95 -0.89 116.42 117.84 2kkt h ASP 231 Ca -0.43 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.85 2kkt h ASP 231 Cb 1.26 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.74 2kkt h ASP 231 CO 0.43 0.16 0.19 -0.33 -1.03 0.00 0.00 179.24 178.65 2kkt h GLU 232 N 0.00 0.64 -0.17 4.15 5.08 -1.98 0.25 114.58 122.55 2kkt h GLU 232 Ca -0.00 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 2kkt h GLU 232 Cb 0.30 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2kkt h GLU 232 CO 0.02 0.58 -0.32 1.96 -1.00 0.00 0.00 179.01 180.25 2kkt h GLN 233 N 0.56 0.33 -0.04 2.33 4.20 -1.67 0.39 115.11 121.21 2kkt h GLN 233 Ca 0.15 -0.13 -0.24 0.00 0.06 0.00 0.00 58.65 58.49 2kkt h GLN 233 Cb 0.17 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 27.94 2kkt h GLN 233 CO -0.01 0.62 -0.92 0.00 -0.67 0.00 0.00 178.83 177.85 2kkt h ARG 234 N 0.29 0.61 -0.15 1.46 2.47 -0.65 -3.20 114.38 115.20 2kkt h ARG 234 Ca 0.04 -0.59 -0.06 0.00 -1.26 0.00 0.00 59.98 58.10 2kkt h ARG 234 Cb 0.71 0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 29.18 2kkt h ARG 234 CO 0.05 1.21 -0.15 -0.09 0.56 0.00 0.00 179.97 181.55 2kkt h ARG 235 N 0.37 0.37 -1.01 0.04 2.43 -0.42 -3.08 114.38 113.08 2kkt h ARG 235 Ca -0.09 -0.20 0.25 0.00 -0.81 0.00 0.00 59.98 59.13 2kkt h ARG 235 Cb 1.55 0.01 -0.12 0.00 -0.42 0.00 0.00 29.97 30.99 2kkt h ARG 235 CO 0.17 0.75 0.61 1.15 -1.51 0.00 0.00 179.97 181.15 2kkt h THR 236 N 0.01 0.54 0.12 0.20 2.02 -0.30 0.24 112.91 115.74 2kkt h THR 236 Ca 0.02 -0.19 -0.29 0.00 0.77 0.00 0.00 66.41 66.73 2kkt h THR 236 Cb 0.68 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.03 2kkt h THR 236 CO 0.04 0.10 -1.37 0.58 0.37 0.00 0.00 175.52 175.24 2kkt h VAL 237 N 0.56 1.35 -0.03 3.16 2.07 -1.54 -1.61 116.25 120.21 2kkt h VAL 237 Ca 0.63 -2.95 -0.25 0.00 0.82 0.00 0.00 66.70 64.95 2kkt h VAL 237 Cb 1.26 2.86 0.02 0.00 -1.52 0.00 0.00 31.29 33.91 2kkt h VAL 237 CO -0.43 0.86 -0.98 0.03 0.02 0.00 0.00 177.57 177.06 2kkt h ARG 238 N 0.07 0.69 -0.14 1.57 3.08 -1.09 0.19 114.38 118.76 2kkt h ARG 238 Ca -0.18 -0.70 -0.09 0.00 0.07 0.00 0.00 59.98 59.08 2kkt h ARG 238 Cb 1.99 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 32.22 2kkt h ARG 238 CO 0.19 1.29 -0.31 0.28 -1.07 0.00 0.00 179.97 180.35 2kkt h VAL 239 N 0.41 1.27 0.07 2.04 2.07 -0.66 0.43 116.25 121.87 2kkt h VAL 239 Ca -0.11 -1.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.13 2kkt h VAL 239 Cb 1.62 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 2kkt h VAL 239 CO 0.19 0.39 -0.03 0.22 0.02 0.00 0.00 177.57 178.35 2kkt h TYR 240 N 0.24 -0.09 0.00 1.57 3.20 -0.99 -2.83 116.97 118.07 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 0.67 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.97 2kkt h TYR 240 CO 0.01 0.48 -0.03 0.74 -1.64 0.00 0.00 178.16 177.73 2kkt h PHE 241 N -0.84 0.00 -0.01 -3.82 0.04 -0.52 -3.40 116.94 108.40 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 0.61 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.76 2kkt h PHE 241 CO 0.14 0.72 -0.63 1.47 -0.60 0.00 0.00 178.31 179.40 2kkt n LEU 242 N -4.66 1.59 0.00 1.54 -0.00 0.14 -5.04 117.00 110.57 2kkt n LEU 242 Ca -0.08 -0.67 0.00 0.00 -0.00 0.00 0.00 56.01 55.27 2kkt n LEU 242 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.77 2kkt n LEU 242 CO 0.24 0.32 0.00 0.61 -0.00 0.00 0.00 177.39 178.56 2kkt n GLY 243 N 1.41 4.34 0.27 1.47 0.00 -0.48 -4.85 105.19 107.34 2kkt n GLY 243 Ca 0.07 -1.23 0.18 0.00 0.00 0.00 0.00 46.02 45.04 2kkt n GLY 243 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kkt h PRO 244 N 0.00 0.00 -0.05 1.61 0.13 -1.76 -1.18 132.00 130.75 2kkt h PRO 244 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2kkt h PRO 244 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kkt h PRO 244 CO 0.00 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.20 2kkt n SER 245 N -2.79 0.56 -3.67 1.44 7.64 -1.26 -4.48 113.62 111.05 2kkt n SER 245 Ca -0.02 -1.51 -0.42 0.00 1.01 0.00 0.00 58.87 57.93 2kkt n SER 245 Cb 0.09 -0.03 -0.01 0.00 -1.01 0.00 0.00 64.21 63.25 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 -0.42 5.33 -1.57 -0.43 0.00 -0.44 -4.08 120.51 118.89 2kkt n ALA 246 Ca 0.15 -3.73 0.06 0.00 0.00 0.00 0.00 53.44 49.92 2kkt n ALA 246 Cb 0.15 -3.53 0.13 0.00 0.00 0.00 0.00 19.45 16.20 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 5.12 1.54 -3.13 0.00 0.31 -1.26 -4.66 118.33 116.25 2kkt n VAL 247 Ca 0.53 -2.21 -0.19 0.00 -0.01 0.00 0.00 64.34 62.46 2kkt n VAL 247 Cb 0.38 0.01 0.02 0.00 -0.91 0.00 0.00 33.84 33.33 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 -2.30 3.42 0.00 7.52 1.43 -1.26 -5.26 118.68 122.23 2kkt s LEU 248 Ca 0.31 -0.62 0.10 0.00 -1.03 0.00 0.00 54.13 52.89 2kkt s LEU 248 Cb 0.30 -2.22 0.60 0.00 0.03 0.00 0.00 46.19 44.90 2kkt s LEU 248 CO -0.04 -0.93 1.05 -2.65 0.23 0.00 0.00 176.35 174.01