#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 -0.33 0.00 0.54 5.08 -2.03 -2.69 114.58 115.15 2kkt h GLU 199 Ca 0.00 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2kkt h GLU 199 Cb 0.00 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2kkt h GLU 199 CO 0.00 0.03 -0.16 1.05 -1.00 0.00 0.00 179.01 178.92 2kkt h GLU 200 N -0.85 0.00 -0.73 2.33 4.11 -2.04 -2.12 114.58 115.27 2kkt h GLU 200 Ca -0.04 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.42 2kkt h GLU 200 Cb 0.51 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 2kkt h GLU 200 CO 0.06 0.16 0.47 1.25 0.07 0.00 0.00 179.01 181.02 2kkt h LEU 201 N 0.00 0.79 -0.88 3.06 6.46 -1.98 0.41 115.31 123.16 2kkt h LEU 201 Ca -0.00 -0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.65 2kkt h LEU 201 Cb 0.77 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.50 2kkt h LEU 201 CO 0.02 0.55 -0.20 -0.09 -0.62 0.00 0.00 178.44 178.10 2kkt h ARG 202 N 0.93 0.60 -0.19 1.25 2.43 -1.04 -1.57 114.38 116.79 2kkt h ARG 202 Ca 0.28 -0.22 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 2kkt h ARG 202 Cb -0.03 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2kkt h ARG 202 CO -0.09 0.76 -0.30 0.77 -1.51 0.00 0.00 179.97 179.60 2kkt h SER 203 N 0.53 0.37 0.90 -3.80 0.02 -0.98 -3.25 113.55 107.34 2kkt h SER 203 Ca 0.08 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 2kkt h SER 203 Cb 0.64 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 63.09 2kkt h SER 203 CO 0.05 0.66 -0.43 0.25 -1.14 0.00 0.00 176.83 176.21 2kkt h LEU 204 N 0.32 -1.02 -0.11 5.07 6.46 0.54 -3.16 115.31 123.41 2kkt h LEU 204 Ca 0.04 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 2kkt h LEU 204 Cb 0.69 0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.88 2kkt h LEU 204 CO 0.05 -0.73 0.09 0.18 -0.62 0.00 0.00 178.44 177.41 2kkt n LEU 205 N -5.61 0.04 0.11 2.25 7.99 -0.66 0.57 117.00 121.69 2kkt n LEU 205 Ca -0.16 0.44 -0.03 0.00 -0.01 0.00 0.00 56.01 56.25 2kkt n LEU 205 Cb 0.48 -0.44 0.07 0.00 -0.11 0.00 0.00 43.42 43.42 2kkt n LEU 205 CO 0.40 -0.45 0.38 0.74 -1.51 0.00 0.00 177.39 176.94 2kkt h THR 206 N 0.00 1.50 0.00 -5.08 2.02 -1.66 -3.41 112.91 106.27 2kkt h THR 206 Ca 0.00 -2.57 0.00 0.00 0.77 0.00 0.00 66.41 64.61 2kkt h THR 206 Cb 0.18 2.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 2kkt h THR 206 CO 0.00 0.73 0.00 1.07 0.37 0.00 0.00 175.52 177.69 2kkt n THR 207 N -3.61 0.00 -3.64 3.16 5.66 -0.12 -4.99 114.28 110.75 2kkt n THR 207 Ca -0.01 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.63 2kkt n THR 207 Cb 0.73 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.44 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 -0.53 4.09 0.00 1.09 -1.52 0.19 -1.03 119.66 121.96 2kkt s GLN 208 Ca 0.00 -0.00 0.00 0.00 -1.95 0.00 0.00 55.36 53.41 2kkt s GLN 208 Cb 0.00 -3.37 0.00 0.00 -0.22 0.00 0.00 33.01 29.42 2kkt s GLN 208 CO 0.00 0.37 0.82 0.00 -0.25 0.00 0.00 175.29 176.23 2kkt n GLY 210 N -0.99 1.91 3.70 0.00 0.00 0.24 -4.82 105.19 105.22 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 -3.22 3.39 -0.63 1.61 0.11 -1.26 -3.63 120.40 116.77 2kkt s VAL 211 Ca 0.00 0.86 -0.28 0.00 -2.93 0.00 0.00 61.98 59.63 2kkt s VAL 211 Cb 0.00 -3.55 0.02 0.00 -1.53 0.00 0.00 36.38 31.32 2kkt s VAL 211 CO 0.00 0.01 1.30 -0.63 -3.33 0.00 0.00 175.10 172.45 2kkt s ILE 212 N 2.16 3.83 -0.12 7.04 1.01 -1.25 -0.02 121.20 133.85 2kkt s ILE 212 Ca 0.67 0.65 -0.29 0.00 0.00 0.00 0.00 60.65 61.68 2kkt s ILE 212 Cb -0.35 -4.70 -0.05 0.00 0.01 0.00 0.00 42.46 37.36 2kkt s ILE 212 CO 0.29 -1.47 1.82 -0.55 0.00 0.00 0.00 174.94 175.03 2kkt s SER 213 N 3.76 6.30 0.91 3.58 0.15 -0.74 -4.91 113.70 122.76 2kkt s SER 213 Ca 0.43 2.07 -0.12 0.00 0.70 0.00 0.00 55.95 59.03 2kkt s SER 213 Cb -0.09 -2.53 0.09 0.00 -1.71 0.00 0.00 66.02 61.78 2kkt s SER 213 CO 0.21 -1.26 0.80 -1.84 1.20 0.00 0.00 173.24 172.35 2kkt n GLU 214 N 7.71 -0.30 0.00 5.44 0.28 -1.26 -2.44 120.64 130.08 2kkt n GLU 214 Ca 0.21 -0.03 0.00 0.00 -0.16 0.00 0.00 57.16 57.18 2kkt n GLU 214 Cb 0.44 -2.13 0.00 0.00 1.43 0.00 0.00 31.44 31.18 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 -3.80 0.00 -0.50 -1.84 8.25 -1.26 -3.95 115.22 112.12 2kkt n HIS 215 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 2kkt n HIS 215 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 2kkt n HIS 215 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2kkt n THR 216 N 0.00 0.29 -3.45 1.59 -2.24 -1.26 -5.06 114.28 104.14 2kkt n THR 216 Ca 0.00 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 2kkt n THR 216 Cb 0.00 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 2kkt n THR 216 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2kkt n LYS 217 N -0.14 2.00 -0.21 -0.78 4.01 -1.02 -5.11 118.16 116.90 2kkt n LYS 217 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2kkt n LYS 217 Cb 0.27 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.79 2kkt n LYS 217 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2kkt n LYS 218 N -0.30 0.20 -1.69 1.97 4.76 -1.25 -4.69 118.16 117.16 2kkt n LYS 218 Ca 0.00 0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 55.00 2kkt n LYS 218 Cb 0.00 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.16 2kkt n LYS 218 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2kkt n MET 219 N 0.00 2.37 -2.36 1.97 2.81 -1.26 -1.78 117.12 118.87 2kkt n MET 219 Ca 0.00 0.85 -0.42 0.00 -1.81 0.00 0.00 57.70 56.32 2kkt n MET 219 Cb 0.00 -2.62 -0.03 0.00 -0.71 0.00 0.00 33.22 29.86 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 3.93 0.41 -2.02 0.00 -2.24 -1.26 0.82 114.28 113.92 2kkt n THR 221 Ca 0.10 -0.67 -0.13 0.00 -2.27 0.00 0.00 64.05 61.07 2kkt n THR 221 Cb 0.45 0.99 0.08 0.00 -2.10 0.00 0.00 70.33 69.76 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 1.36 -0.17 -0.58 -0.78 1.74 -1.26 -4.82 116.66 112.15 2kkt n ARG 222 Ca 0.18 -1.27 -0.29 0.00 -0.77 0.00 0.00 57.85 55.71 2kkt n ARG 222 Cb 0.58 -0.51 0.23 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 -3.31 1.45 0.11 0.55 0.15 -1.26 0.36 113.70 111.75 2kkt s SER 223 Ca 0.37 1.69 -0.31 0.00 0.70 0.00 0.00 55.95 58.40 2kkt s SER 223 Cb -0.02 -2.38 -0.11 0.00 -1.71 0.00 0.00 66.02 61.81 2kkt s SER 223 CO 0.25 -3.94 1.58 -0.07 1.20 0.00 0.00 173.24 172.27 2kkt h LEU 224 N -2.44 -1.28 -2.14 3.45 3.38 -1.31 -2.45 115.31 112.52 2kkt h LEU 224 Ca -0.57 0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 2kkt h LEU 224 Cb 1.32 0.48 -0.03 0.00 0.09 0.00 0.00 40.66 42.51 2kkt h LEU 224 CO 0.48 -0.50 0.07 -1.14 0.09 0.00 0.00 178.44 177.44 2kkt n ARG 225 N -5.47 1.20 -0.06 1.13 0.63 -1.26 -4.54 116.66 108.29 2kkt n ARG 225 Ca -0.07 -0.39 -0.12 0.00 -0.92 0.00 0.00 57.85 56.35 2kkt n ARG 225 Cb 0.38 -1.21 -0.08 0.00 0.45 0.00 0.00 32.46 32.00 2kkt n ARG 225 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2kkt n PRO 227 N -4.94 0.00 -0.03 0.00 -0.04 -1.26 -4.97 135.00 123.76 2kkt n PRO 227 Ca -0.04 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.46 2kkt n PRO 227 Cb 0.30 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.81 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 0.80 -1.71 0.54 7.27 -1.26 -4.94 117.38 118.08 2kkt n GLN 228 Ca 0.00 -1.20 -0.42 0.00 0.07 0.00 0.00 57.00 55.45 2kkt n GLN 228 Cb 0.00 -1.16 -0.03 0.00 2.41 0.00 0.00 30.24 31.46 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 -0.74 1.59 0.67 3.69 3.76 -1.26 -4.96 115.29 118.03 2kkt s HIS 229 Ca 0.11 -0.29 0.01 0.00 -0.15 0.00 0.00 55.06 54.74 2kkt s HIS 229 Cb 0.07 -4.21 0.10 0.00 1.11 0.00 0.00 32.58 29.66 2kkt s HIS 229 CO 0.10 -5.25 0.92 0.95 -0.85 0.00 0.00 174.74 170.61 2kkt s THR 230 N 3.90 2.25 0.39 1.30 -4.23 -1.26 -4.72 115.64 113.28 2kkt s THR 230 Ca 0.85 -0.66 0.30 0.00 -1.18 0.00 0.00 61.69 61.00 2kkt s THR 230 Cb -0.43 -2.60 0.32 0.00 1.34 0.00 0.00 72.50 71.13 2kkt s THR 230 CO 0.39 0.00 2.08 -2.24 -0.54 0.00 0.00 174.62 174.31 2kkt h ASP 231 N -0.31 0.00 0.89 3.99 2.03 -1.95 -0.74 116.42 120.33 2kkt h ASP 231 Ca -0.37 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 55.75 2kkt h ASP 231 Cb 1.28 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.75 2kkt h ASP 231 CO 0.43 0.10 -0.86 -0.33 -1.03 0.00 0.00 179.24 177.55 2kkt h GLU 232 N 0.00 0.00 -0.09 4.15 5.08 -1.98 -0.12 114.58 121.63 2kkt h GLU 232 Ca -0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2kkt h GLU 232 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2kkt h GLU 232 CO 0.01 0.86 -0.54 1.96 -1.00 0.00 0.00 179.01 180.30 2kkt h GLN 233 N 0.00 0.26 0.00 2.33 4.20 -1.57 0.25 115.11 120.58 2kkt h GLN 233 Ca -0.01 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.50 2kkt h GLN 233 Cb 1.54 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.33 2kkt h GLN 233 CO 0.11 0.74 -0.17 0.00 -0.67 0.00 0.00 178.83 178.84 2kkt h ARG 234 N 0.20 0.00 0.03 1.46 2.47 -0.61 -2.77 114.38 115.17 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 1.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.34 2kkt h ARG 234 CO 0.09 0.17 -0.02 -0.09 0.56 0.00 0.00 179.97 180.68 2kkt h ARG 235 N 0.00 -0.05 -0.49 0.04 9.65 -0.47 -3.19 114.38 119.88 2kkt h ARG 235 Ca -0.00 0.00 0.10 0.00 -1.10 0.00 0.00 59.98 58.98 2kkt h ARG 235 Cb 0.85 0.01 -0.09 0.00 -1.39 0.00 0.00 29.97 29.34 2kkt h ARG 235 CO 0.02 0.61 -0.14 1.15 2.80 0.00 0.00 179.97 184.42 2kkt h THR 236 N -0.91 0.48 0.00 0.20 2.02 -0.45 0.25 112.91 114.49 2kkt h THR 236 Ca -0.00 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 66.95 2kkt h THR 236 Cb 0.68 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 2kkt h THR 236 CO 0.01 0.00 -1.13 1.62 0.37 0.00 0.00 175.52 176.39 2kkt h VAL 237 N -0.02 1.54 -0.09 3.16 3.04 -1.65 -2.52 116.25 119.71 2kkt h VAL 237 Ca 0.23 -3.27 -0.23 0.00 -1.01 0.00 0.00 66.70 62.42 2kkt h VAL 237 Cb 0.38 2.76 0.01 0.00 -2.01 0.00 0.00 31.29 32.43 2kkt h VAL 237 CO -0.51 0.88 -0.86 -0.09 -1.01 0.00 0.00 177.57 175.98 2kkt h ARG 238 N 0.00 0.67 -0.42 4.17 2.43 -1.40 0.16 114.38 120.00 2kkt h ARG 238 Ca -0.06 -0.61 -0.11 0.00 -0.81 0.00 0.00 59.98 58.39 2kkt h ARG 238 Cb 1.81 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 31.49 2kkt h ARG 238 CO 0.12 1.21 -0.18 -0.24 -1.51 0.00 0.00 179.97 179.37 2kkt h VAL 239 N 0.43 1.27 0.07 0.20 3.04 -0.56 0.18 116.25 120.87 2kkt h VAL 239 Ca -0.07 -1.28 -0.00 0.00 -1.01 0.00 0.00 66.70 64.33 2kkt h VAL 239 Cb 1.49 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.91 2kkt h VAL 239 CO 0.17 0.43 -0.03 0.22 -1.01 0.00 0.00 177.57 177.35 2kkt h TYR 240 N 0.70 -0.09 0.02 3.17 5.03 -1.32 -3.11 116.97 121.38 2kkt h TYR 240 Ca 0.10 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.41 2kkt h TYR 240 Cb 0.69 0.03 0.00 0.00 1.55 0.00 0.00 36.73 39.00 2kkt h TYR 240 CO 0.04 0.26 -0.01 0.74 -1.32 0.00 0.00 178.16 177.86 2kkt h PHE 241 N -0.44 -0.03 0.00 -3.82 0.04 -0.57 -3.43 116.94 108.69 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 0.38 0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.54 2kkt h PHE 241 CO 0.04 0.68 -0.01 1.47 -0.60 0.00 0.00 178.31 179.90 2kkt n LEU 242 N -4.71 1.17 0.00 1.54 -0.00 0.58 -5.03 117.00 110.55 2kkt n LEU 242 Ca -0.08 -1.21 0.00 0.00 -0.00 0.00 0.00 56.01 54.73 2kkt n LEU 242 Cb 0.35 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.76 2kkt n LEU 242 CO 0.28 0.30 0.00 0.61 -0.00 0.00 0.00 177.39 178.57 2kkt n GLY 243 N -0.31 1.71 0.17 1.47 0.00 -1.00 -4.95 105.19 102.27 2kkt n GLY 243 Ca 0.00 0.41 0.10 0.00 0.00 0.00 0.00 46.02 46.53 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 -0.46 1.61 0.11 -1.84 -1.49 132.00 129.93 2kkt h PRO 244 Ca 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.95 2kkt h PRO 244 Cb 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.02 2kkt h PRO 244 CO 0.00 0.00 0.09 -1.13 -0.21 0.00 0.00 178.00 176.75 2kkt n SER 245 N -2.22 3.59 -4.41 -2.05 3.41 -1.26 -4.90 113.62 105.77 2kkt n SER 245 Ca -0.01 -3.38 -0.37 0.00 -0.26 0.00 0.00 58.87 54.84 2kkt n SER 245 Cb 0.14 -0.65 -0.03 0.00 -0.26 0.00 0.00 64.21 63.41 2kkt n SER 245 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kkt n ALA 246 N -0.71 3.04 -1.76 7.33 0.00 -0.56 -4.47 120.51 123.39 2kkt n ALA 246 Ca 0.33 -3.48 0.00 0.00 0.00 0.00 0.00 53.44 50.29 2kkt n ALA 246 Cb 1.12 -3.55 0.00 0.00 0.00 0.00 0.00 19.45 17.02 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 6.79 -8.63 -3.83 0.00 0.31 -1.26 -4.82 118.33 106.89 2kkt n VAL 247 Ca 0.48 1.84 -0.23 0.00 -0.01 0.00 0.00 64.34 66.42 2kkt n VAL 247 Cb 0.45 -4.76 -0.05 0.00 -0.91 0.00 0.00 33.84 28.57 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 -0.34 3.27 0.00 7.52 1.43 -1.26 -5.10 118.68 124.19 2kkt s LEU 248 Ca 0.00 -0.90 0.18 0.00 -1.03 0.00 0.00 54.13 52.39 2kkt s LEU 248 Cb 0.00 -1.77 1.09 0.00 0.03 0.00 0.00 46.19 45.54 2kkt s LEU 248 CO 0.00 -0.60 1.49 -2.65 0.23 0.00 0.00 176.35 174.82