#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 -0.21 0.00 -0.52 3.07 -2.00 0.01 114.58 114.93 2kkt h GLU 199 Ca 0.00 0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 58.79 2kkt h GLU 199 Cb 0.00 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 2kkt h GLU 199 CO 0.00 0.18 -0.40 1.05 -1.40 0.00 0.00 179.01 178.44 2kkt h GLU 200 N -0.66 0.00 -0.21 2.33 9.09 -2.04 0.50 114.58 123.59 2kkt h GLU 200 Ca -0.02 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.40 2kkt h GLU 200 Cb 0.48 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.57 2kkt h GLU 200 CO 0.04 0.40 0.11 1.25 0.05 0.00 0.00 179.01 180.86 2kkt h LEU 201 N 0.00 0.17 -1.11 3.06 6.46 -1.97 0.94 115.31 122.86 2kkt h LEU 201 Ca -0.00 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2kkt h LEU 201 Cb 0.78 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.65 2kkt h LEU 201 CO 0.05 0.13 0.40 -0.09 -0.62 0.00 0.00 178.44 178.31 2kkt h ARG 202 N 0.24 1.02 0.00 1.25 2.43 -0.11 -0.08 114.38 119.12 2kkt h ARG 202 Ca 0.08 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 2kkt h ARG 202 Cb 0.01 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.35 2kkt h ARG 202 CO -0.05 0.75 -0.14 1.03 -1.51 0.00 0.00 179.97 180.05 2kkt h SER 203 N 1.03 0.00 0.34 -3.80 0.87 -0.44 -1.87 113.55 109.68 2kkt h SER 203 Ca 0.26 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.80 2kkt h SER 203 Cb 0.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2kkt h SER 203 CO -0.04 0.14 -0.16 0.25 -0.53 0.00 0.00 176.83 176.48 2kkt h LEU 204 N 0.00 -0.39 0.00 2.23 6.46 0.95 -3.17 115.31 121.40 2kkt h LEU 204 Ca -0.00 -0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.59 2kkt h LEU 204 Cb 0.35 0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.38 2kkt h LEU 204 CO 0.02 0.02 0.00 0.18 -0.62 0.00 0.00 178.44 178.03 2kkt n LEU 205 N -5.13 0.00 0.10 2.25 7.99 -0.47 0.87 117.00 122.61 2kkt n LEU 205 Ca -0.09 0.00 -0.16 0.00 -0.01 0.00 0.00 56.01 55.75 2kkt n LEU 205 Cb 0.27 0.00 -0.14 0.00 -0.11 0.00 0.00 43.42 43.44 2kkt n LEU 205 CO 0.28 0.00 -0.05 0.74 -1.51 0.00 0.00 177.39 176.86 2kkt h THR 206 N 0.00 1.50 0.00 -5.08 2.02 -1.38 -3.43 112.91 106.54 2kkt h THR 206 Ca 0.00 -3.05 0.00 0.00 0.77 0.00 0.00 66.41 64.13 2kkt h THR 206 Cb 0.00 2.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.35 2kkt h THR 206 CO 0.00 0.89 0.00 1.07 0.37 0.00 0.00 175.52 177.85 2kkt n THR 207 N -3.54 0.00 -3.93 3.16 5.66 -0.00 -5.07 114.28 110.56 2kkt n THR 207 Ca -0.09 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.55 2kkt n THR 207 Cb 1.02 0.58 -0.07 0.00 -1.55 0.00 0.00 70.33 70.31 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 0.00 3.46 0.15 1.09 -0.21 0.25 -3.42 119.66 120.98 2kkt s GLN 208 Ca 0.00 -0.17 -0.23 0.00 0.02 0.00 0.00 55.36 54.97 2kkt s GLN 208 Cb 0.00 -3.17 0.01 0.00 1.00 0.00 0.00 33.01 30.85 2kkt s GLN 208 CO 0.00 0.72 1.30 0.00 -2.12 0.00 0.00 175.29 175.19 2kkt n GLY 210 N -1.26 0.89 3.64 0.00 0.00 0.22 -4.71 105.19 103.96 2kkt n GLY 210 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.37 4.38 -0.05 1.61 0.11 -1.26 -3.40 120.40 119.42 2kkt s VAL 211 Ca 0.00 1.59 -0.32 0.00 -2.93 0.00 0.00 61.98 60.32 2kkt s VAL 211 Cb 0.00 -4.29 -0.10 0.00 -1.53 0.00 0.00 36.38 30.46 2kkt s VAL 211 CO 0.00 -0.43 1.96 -0.38 -3.33 0.00 0.00 175.10 172.92 2kkt n ILE 212 N 5.90 0.65 -1.68 7.04 5.41 -1.26 -1.20 119.36 134.22 2kkt n ILE 212 Ca 0.13 -0.15 -0.51 0.00 1.00 0.00 0.00 62.75 63.22 2kkt n ILE 212 Cb 0.47 -2.14 -0.05 0.00 -0.71 0.00 0.00 39.64 37.21 2kkt n ILE 212 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2kkt n SER 213 N 7.54 3.00 0.00 4.38 7.64 -0.46 -4.84 113.62 130.87 2kkt n SER 213 Ca 0.22 1.02 0.06 0.00 1.01 0.00 0.00 58.87 61.19 2kkt n SER 213 Cb 0.36 -1.30 0.36 0.00 -1.01 0.00 0.00 64.21 62.62 2kkt n SER 213 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2kkt n GLU 214 N 5.67 0.80 -0.25 1.43 -0.58 -1.26 -0.65 120.64 125.80 2kkt n GLU 214 Ca 0.23 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 57.08 2kkt n GLU 214 Cb 0.24 -1.24 0.25 0.00 -0.57 0.00 0.00 31.44 30.12 2kkt n GLU 214 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 2kkt n HIS 215 N -0.74 0.66 -1.83 -0.32 1.44 -1.26 -5.01 115.22 108.16 2kkt n HIS 215 Ca 0.09 -0.35 -0.01 0.00 -2.01 0.00 0.00 57.72 55.44 2kkt n HIS 215 Cb 0.04 -0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.14 2kkt n HIS 215 CO 0.00 0.00 0.00 2.41 -2.81 0.00 0.00 176.34 175.94 2kkt n THR 216 N 1.49 -5.65 0.00 0.61 -1.04 0.18 -5.09 114.28 104.77 2kkt n THR 216 Ca 0.21 0.75 0.00 0.00 -2.04 0.00 0.00 64.05 62.96 2kkt n THR 216 Cb 0.60 -4.52 0.00 0.00 -1.82 0.00 0.00 70.33 64.59 2kkt n THR 216 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2kkt n LYS 217 N 0.42 0.00 -1.95 -2.82 4.81 -1.20 -5.01 118.16 112.41 2kkt n LYS 217 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 2kkt n LYS 217 Cb 0.14 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.20 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 -0.40 0.04 -1.70 1.64 5.02 -1.26 -4.95 118.16 116.55 2kkt n LYS 218 Ca 0.00 -0.12 -0.39 0.00 -2.02 0.00 0.00 58.31 55.77 2kkt n LYS 218 Cb 0.00 0.18 0.03 0.00 -0.02 0.00 0.00 35.03 35.23 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 -0.10 1.61 -2.74 1.97 2.81 -1.26 -1.36 117.12 118.05 2kkt n MET 219 Ca 0.00 0.59 -0.39 0.00 -1.81 0.00 0.00 57.70 56.09 2kkt n MET 219 Cb 0.07 -2.42 -0.06 0.00 -0.71 0.00 0.00 33.22 30.10 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 1.31 1.32 -0.59 0.00 -2.24 -1.26 0.69 114.28 113.52 2kkt n THR 221 Ca -0.01 -0.81 -0.19 0.00 -2.27 0.00 0.00 64.05 60.77 2kkt n THR 221 Cb 0.47 -0.58 0.17 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 -2.79 -2.91 -1.42 -0.78 1.74 -1.26 -4.49 116.66 104.75 2kkt n ARG 222 Ca -0.26 -1.04 -0.30 0.00 -0.77 0.00 0.00 57.85 55.48 2kkt n ARG 222 Cb 1.07 -1.10 0.24 0.00 -1.02 0.00 0.00 32.46 31.65 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 -3.13 1.41 0.00 0.55 0.15 -1.26 0.12 113.70 111.54 2kkt s SER 223 Ca 0.44 0.34 0.05 0.00 0.70 0.00 0.00 55.95 57.49 2kkt s SER 223 Cb -0.06 -0.39 0.33 0.00 -1.71 0.00 0.00 66.02 64.19 2kkt s SER 223 CO 0.35 -3.79 1.12 0.18 1.20 0.00 0.00 173.24 172.30 2kkt n LEU 224 N -4.49 0.00 0.02 3.45 4.77 -1.22 -1.20 117.00 118.34 2kkt n LEU 224 Ca 0.16 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.25 2kkt n LEU 224 Cb 0.60 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.75 2kkt n LEU 224 CO 0.42 0.00 0.12 -1.14 -1.33 0.00 0.00 177.39 175.46 2kkt n ARG 225 N -0.59 0.22 0.00 3.23 3.00 -1.26 -4.83 116.66 116.42 2kkt n ARG 225 Ca 0.04 0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.90 2kkt n ARG 225 Cb 0.02 -1.58 0.00 0.00 0.00 0.00 0.00 32.46 30.90 2kkt n ARG 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2kkt n PRO 227 N -1.59 0.00 -0.02 0.00 -0.04 -1.26 -5.01 135.00 127.09 2kkt n PRO 227 Ca 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 2kkt n PRO 227 Cb 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 33.53 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 1.17 -1.62 0.54 -0.06 -1.26 -4.94 117.38 111.20 2kkt n GLN 228 Ca 0.00 -1.44 -0.49 0.00 -2.00 0.00 0.00 57.00 53.07 2kkt n GLN 228 Cb 0.00 -1.29 -0.05 0.00 -4.06 0.00 0.00 30.24 24.85 2kkt n GLN 228 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 2kkt n HIS 229 N 0.83 1.75 -2.61 3.69 8.25 -1.26 -4.97 115.22 120.90 2kkt n HIS 229 Ca 0.09 0.52 -0.23 0.00 -0.26 0.00 0.00 57.72 57.85 2kkt n HIS 229 Cb 0.38 -2.39 0.09 0.00 1.12 0.00 0.00 29.99 29.18 2kkt n HIS 229 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2kkt s THR 230 N 0.43 2.26 0.23 1.59 -4.23 -1.26 -4.98 115.64 109.68 2kkt s THR 230 Ca 0.79 -0.62 0.05 0.00 -1.18 0.00 0.00 61.69 60.73 2kkt s THR 230 Cb -0.83 -2.63 -0.06 0.00 1.34 0.00 0.00 72.50 70.32 2kkt s THR 230 CO 0.46 0.00 1.54 -0.78 -0.54 0.00 0.00 174.62 175.30 2kkt h ASP 231 N -0.36 0.25 0.43 3.99 3.58 -1.95 -2.70 116.42 119.66 2kkt h ASP 231 Ca -0.37 -0.15 -0.08 0.00 0.42 0.00 0.00 57.03 56.84 2kkt h ASP 231 Cb 1.28 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 42.24 2kkt h ASP 231 CO 0.43 0.82 -0.39 -0.33 -2.88 0.00 0.00 179.24 176.90 2kkt h GLU 232 N 0.15 0.00 -0.17 0.28 5.08 -1.99 -0.91 114.58 117.03 2kkt h GLU 232 Ca -0.01 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 2kkt h GLU 232 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2kkt h GLU 232 CO 0.10 0.39 -0.35 1.96 -1.00 0.00 0.00 179.01 180.11 2kkt h GLN 233 N 0.00 0.36 0.05 2.33 4.20 -1.87 0.20 115.11 120.39 2kkt h GLN 233 Ca -0.00 -0.16 -0.24 0.00 0.06 0.00 0.00 58.65 58.31 2kkt h GLN 233 Cb 0.71 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.47 2kkt h GLN 233 CO 0.05 0.67 -1.05 0.00 -0.67 0.00 0.00 178.83 177.82 2kkt h ARG 234 N 0.31 0.25 -0.03 1.46 2.47 -0.95 -3.27 114.38 114.62 2kkt h ARG 234 Ca 0.04 -0.35 -0.01 0.00 -1.26 0.00 0.00 59.98 58.40 2kkt h ARG 234 Cb 0.76 0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 29.19 2kkt h ARG 234 CO 0.06 1.10 -0.00 -0.09 0.56 0.00 0.00 179.97 181.60 2kkt h ARG 235 N 0.11 0.06 -0.59 0.04 2.43 -0.80 -3.22 114.38 112.40 2kkt h ARG 235 Ca -0.09 -0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.19 2kkt h ARG 235 Cb 1.74 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.25 2kkt h ARG 235 CO 0.17 0.37 0.41 0.00 -1.51 0.00 0.00 179.97 179.41 2kkt h THR 236 N -0.26 0.82 0.03 0.20 1.03 -0.66 0.59 112.91 114.66 2kkt h THR 236 Ca 0.01 -0.09 -0.25 0.00 -0.01 0.00 0.00 66.41 66.08 2kkt h THR 236 Cb 0.35 0.54 -0.03 0.00 -1.07 0.00 0.00 68.15 67.94 2kkt h THR 236 CO 0.00 0.05 -1.25 1.62 -0.01 0.00 0.00 175.52 175.93 2kkt h VAL 237 N 0.26 1.43 0.01 0.00 3.04 -1.63 -2.12 116.25 117.24 2kkt h VAL 237 Ca 0.28 -3.15 -0.26 0.00 -1.01 0.00 0.00 66.70 62.56 2kkt h VAL 237 Cb 0.77 2.75 0.02 0.00 -2.01 0.00 0.00 31.29 32.82 2kkt h VAL 237 CO -0.06 0.84 -1.05 0.03 -1.01 0.00 0.00 177.57 176.32 2kkt h ARG 238 N 0.02 0.65 -0.22 4.17 3.08 -1.01 0.41 114.38 121.48 2kkt h ARG 238 Ca -0.11 -0.71 -0.07 0.00 0.07 0.00 0.00 59.98 59.16 2kkt h ARG 238 Cb 1.88 0.21 -0.01 0.00 0.08 0.00 0.00 29.97 32.12 2kkt h ARG 238 CO 0.13 1.30 -0.16 0.28 -1.07 0.00 0.00 179.97 180.44 2kkt h VAL 239 N 0.36 1.22 0.06 2.04 2.07 -1.07 0.31 116.25 121.24 2kkt h VAL 239 Ca -0.13 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.39 2kkt h VAL 239 Cb 1.70 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 2kkt h VAL 239 CO 0.20 0.32 -0.03 0.22 0.02 0.00 0.00 177.57 178.30 2kkt h TYR 240 N 0.34 -0.07 0.05 1.57 3.20 -1.03 -2.84 116.97 118.18 2kkt h TYR 240 Ca 0.06 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 2kkt h TYR 240 Cb 0.49 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.79 2kkt h TYR 240 CO 0.01 0.52 -0.02 0.74 -1.64 0.00 0.00 178.16 177.77 2kkt h PHE 241 N -0.78 -0.06 0.00 -3.82 0.04 -0.73 -3.38 116.94 108.22 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 0.62 0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.79 2kkt h PHE 241 CO 0.14 0.58 -1.23 1.47 -0.60 0.00 0.00 178.31 178.67 2kkt n LEU 242 N -4.77 0.70 0.00 1.54 -0.00 0.10 -5.08 117.00 109.49 2kkt n LEU 242 Ca -0.08 -0.36 0.00 0.00 -0.00 0.00 0.00 56.01 55.56 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 0.28 0.17 0.00 0.61 -0.00 0.00 0.00 177.39 178.46 2kkt n GLY 243 N 1.43 3.16 0.00 1.47 0.00 -0.77 -4.75 105.19 105.74 2kkt n GLY 243 Ca 0.02 -1.93 0.08 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.68 0.38 0.00 1.61 -0.04 -1.19 -1.58 135.00 133.50 2kkt n PRO 244 Ca 0.00 0.07 0.14 0.00 -0.04 0.00 0.00 63.50 63.67 2kkt n PRO 244 Cb 0.00 -1.50 0.61 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.15 0.11 -1.99 3.54 7.64 -1.26 -3.55 113.62 116.96 2kkt n SER 245 Ca 0.10 0.13 -0.16 0.00 1.01 0.00 0.00 58.87 59.96 2kkt n SER 245 Cb 0.10 -0.31 0.19 0.00 -1.01 0.00 0.00 64.21 63.17 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 -1.38 4.91 -2.87 -0.43 0.00 -0.61 -4.75 120.51 115.37 2kkt n ALA 246 Ca 0.09 -2.34 -0.44 0.00 0.00 0.00 0.00 53.44 50.76 2kkt n ALA 246 Cb 0.31 -1.34 -0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 -2.78 4.82 0.20 0.00 1.01 -1.23 -4.81 120.40 117.61 2kkt s VAL 247 Ca 0.49 -2.45 0.08 0.00 0.00 0.00 0.00 61.98 60.09 2kkt s VAL 247 Cb 0.40 -4.97 -0.05 0.00 0.00 0.00 0.00 36.38 31.77 2kkt s VAL 247 CO 0.10 -1.71 -0.15 -0.76 0.00 0.00 0.00 175.10 172.58 2kkt s LEU 248 N 2.19 2.54 0.00 3.92 1.43 -1.26 -5.19 118.68 122.31 2kkt s LEU 248 Ca 0.45 -0.99 0.29 0.00 -1.03 0.00 0.00 54.13 52.85 2kkt s LEU 248 Cb -0.01 -0.71 1.74 0.00 0.03 0.00 0.00 46.19 47.24 2kkt s LEU 248 CO 0.02 -0.14 2.08 -2.65 0.23 0.00 0.00 176.35 175.88