#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 0.69 0.00 0.54 4.39 -2.03 0.11 114.58 118.28 2kkt h GLU 199 Ca 0.00 -0.32 -0.13 0.00 0.34 0.00 0.00 59.36 59.26 2kkt h GLU 199 Cb 0.00 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 2kkt h GLU 199 CO 0.00 0.92 -0.60 1.05 -1.16 0.00 0.00 179.01 179.22 2kkt h GLU 200 N 0.45 0.00 -0.35 2.33 9.09 -2.04 0.19 114.58 124.25 2kkt h GLU 200 Ca 0.07 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.46 2kkt h GLU 200 Cb 0.73 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.82 2kkt h GLU 200 CO 0.05 0.60 0.17 1.25 0.05 0.00 0.00 179.01 181.14 2kkt h LEU 201 N 0.00 0.46 -1.05 3.06 6.46 -1.94 0.33 115.31 122.63 2kkt h LEU 201 Ca -0.01 -0.12 -0.02 0.00 -0.12 0.00 0.00 57.88 57.61 2kkt h LEU 201 Cb 1.06 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.84 2kkt h LEU 201 CO 0.08 0.45 0.36 -0.09 -0.62 0.00 0.00 178.44 178.61 2kkt h ARG 202 N 0.44 1.03 0.00 1.25 2.43 -0.39 -1.06 114.38 118.08 2kkt h ARG 202 Ca 0.12 -0.14 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 2kkt h ARG 202 Cb 0.11 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 2kkt h ARG 202 CO -0.02 0.79 -0.36 0.77 -1.51 0.00 0.00 179.97 179.64 2kkt h SER 203 N 1.03 0.00 0.50 -3.80 0.02 -0.29 -3.27 113.55 107.74 2kkt h SER 203 Ca 0.25 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 2kkt h SER 203 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2kkt h SER 203 CO -0.03 0.36 -0.24 0.25 -1.14 0.00 0.00 176.83 176.02 2kkt h LEU 204 N 0.00 -0.57 0.00 5.07 6.46 0.88 -3.17 115.31 123.99 2kkt h LEU 204 Ca -0.00 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 2kkt h LEU 204 Cb 1.05 0.15 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 2kkt h LEU 204 CO 0.05 -0.24 0.01 0.18 -0.62 0.00 0.00 178.44 177.81 2kkt n LEU 205 N -5.29 0.00 0.18 2.25 7.99 -0.64 0.63 117.00 122.12 2kkt n LEU 205 Ca -0.11 0.26 0.09 0.00 -0.01 0.00 0.00 56.01 56.24 2kkt n LEU 205 Cb 0.31 -0.26 0.10 0.00 -0.11 0.00 0.00 43.42 43.46 2kkt n LEU 205 CO 0.32 -0.26 0.59 0.74 -1.51 0.00 0.00 177.39 177.27 2kkt h THR 206 N 0.00 0.27 0.00 -5.08 2.02 -1.68 -3.41 112.91 105.03 2kkt h THR 206 Ca 0.00 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 65.79 2kkt h THR 206 Cb 0.01 2.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 2kkt h THR 206 CO 0.00 0.15 -0.00 1.07 0.37 0.00 0.00 175.52 177.11 2kkt n THR 207 N -3.09 0.00 -3.88 3.16 5.66 0.06 -4.99 114.28 111.21 2kkt n THR 207 Ca 0.03 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.68 2kkt n THR 207 Cb 0.60 -0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.29 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 -0.94 4.06 0.00 1.09 -1.52 0.21 -1.49 119.66 121.06 2kkt s GLN 208 Ca 0.00 -0.28 0.00 0.00 -1.95 0.00 0.00 55.36 53.13 2kkt s GLN 208 Cb 0.00 -3.31 0.00 0.00 -0.22 0.00 0.00 33.01 29.48 2kkt s GLN 208 CO 0.00 0.30 0.79 0.00 -0.25 0.00 0.00 175.29 176.13 2kkt n GLY 210 N -0.99 1.59 3.73 0.00 0.00 0.30 -4.81 105.19 105.01 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 -3.68 3.14 0.19 1.61 0.11 -1.26 -3.72 120.40 116.79 2kkt s VAL 211 Ca 0.00 0.91 -0.30 0.00 -2.93 0.00 0.00 61.98 59.66 2kkt s VAL 211 Cb 0.00 -3.58 -0.08 0.00 -1.53 0.00 0.00 36.38 31.19 2kkt s VAL 211 CO 0.00 0.12 1.07 -0.63 -3.33 0.00 0.00 175.10 172.33 2kkt s ILE 212 N 0.32 3.91 -0.83 7.04 1.01 -1.25 0.18 121.20 131.58 2kkt s ILE 212 Ca 0.59 1.70 -0.23 0.00 0.00 0.00 0.00 60.65 62.72 2kkt s ILE 212 Cb -0.37 -4.09 -0.18 0.00 0.01 0.00 0.00 42.46 37.83 2kkt s ILE 212 CO 0.37 0.32 2.37 -1.20 0.00 0.00 0.00 174.94 176.80 2kkt n SER 213 N 2.14 1.16 0.00 3.58 7.64 0.16 -4.78 113.62 123.52 2kkt n SER 213 Ca 0.02 -1.28 0.00 0.00 1.01 0.00 0.00 58.87 58.61 2kkt n SER 213 Cb 0.46 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 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 8.16 0.00 0.00 1.43 1.02 -1.26 -2.87 120.64 127.12 2kkt n GLU 214 Ca 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 2kkt n GLU 214 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.79 2kkt n GLU 214 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2kkt n HIS 215 N 0.00 0.00 -2.72 -0.32 8.25 -1.26 -4.86 115.22 114.30 2kkt n HIS 215 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.40 2kkt n HIS 215 Cb 0.00 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.16 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 -0.22 0.00 0.00 1.59 -1.04 -1.21 -5.09 114.28 108.31 2kkt n THR 216 Ca 0.00 -1.13 0.00 0.00 -2.04 0.00 0.00 64.05 60.88 2kkt n THR 216 Cb 0.00 1.28 0.00 0.00 -1.82 0.00 0.00 70.33 69.79 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 1.80 0.00 -4.34 -2.82 4.76 -1.14 -5.03 118.16 111.40 2kkt n LYS 217 Ca 0.08 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.34 2kkt n LYS 217 Cb 0.65 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.74 2kkt n LYS 217 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2kkt s LYS 218 N 0.00 1.54 0.03 1.97 1.02 -1.26 -4.89 119.74 118.15 2kkt s LYS 218 Ca 0.00 -1.87 -0.09 0.00 0.02 0.00 0.00 55.97 54.03 2kkt s LYS 218 Cb 0.00 -0.18 -0.05 0.00 -0.52 0.00 0.00 37.83 37.07 2kkt s LYS 218 CO 0.00 -0.39 0.34 -1.64 -0.92 0.00 0.00 175.35 172.74 2kkt s MET 219 N -3.89 3.70 0.38 1.68 -1.94 -1.26 0.37 119.30 118.35 2kkt s MET 219 Ca 0.36 0.11 -0.25 0.00 -1.71 0.00 0.00 55.69 54.20 2kkt s MET 219 Cb 0.06 -3.07 -0.09 0.00 2.01 0.00 0.00 34.83 33.74 2kkt s MET 219 CO 0.16 0.62 1.07 0.00 -0.01 0.00 0.00 175.02 176.86 2kkt n THR 221 N 0.11 1.37 -1.78 0.00 5.66 -1.26 0.11 114.28 118.49 2kkt n THR 221 Ca 0.04 -1.62 -0.16 0.00 -3.05 0.00 0.00 64.05 59.26 2kkt n THR 221 Cb 0.49 0.03 0.10 0.00 -1.55 0.00 0.00 70.33 69.40 2kkt n THR 221 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kkt n ARG 222 N -1.01 -0.47 -1.03 1.09 3.00 -1.26 -4.78 116.66 112.20 2kkt n ARG 222 Ca 0.11 -1.26 -0.29 0.00 -0.01 0.00 0.00 57.85 56.39 2kkt n ARG 222 Cb 0.60 -0.66 0.17 0.00 0.00 0.00 0.00 32.46 32.56 2kkt n ARG 222 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2kkt s SER 223 N -3.62 2.81 0.14 0.55 0.01 -1.26 0.74 113.70 113.07 2kkt s SER 223 Ca 0.41 1.51 -0.25 0.00 1.31 0.00 0.00 55.95 58.93 2kkt s SER 223 Cb -0.01 -2.18 -0.00 0.00 0.21 0.00 0.00 66.02 64.03 2kkt s SER 223 CO 0.28 -3.06 1.61 -0.07 0.41 0.00 0.00 173.24 172.41 2kkt h LEU 224 N -1.84 -0.98 -3.20 2.44 3.38 -1.50 -2.41 115.31 111.20 2kkt h LEU 224 Ca -0.52 0.15 -0.30 0.00 0.09 0.00 0.00 57.88 57.30 2kkt h LEU 224 Cb 1.30 0.43 -0.18 0.00 0.09 0.00 0.00 40.66 42.29 2kkt h LEU 224 CO 0.53 -0.34 0.39 -1.14 0.09 0.00 0.00 178.44 177.96 2kkt n ARG 225 N -5.40 1.85 -0.11 1.13 0.63 -1.26 -4.64 116.66 108.85 2kkt n ARG 225 Ca -0.02 -1.86 -0.06 0.00 -0.92 0.00 0.00 57.85 54.99 2kkt n ARG 225 Cb 0.32 -1.74 -0.05 0.00 0.45 0.00 0.00 32.46 31.45 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 -3.99 0.00 -0.02 0.00 -0.04 -1.26 -4.95 135.00 124.74 2kkt n PRO 227 Ca -0.01 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.48 2kkt n PRO 227 Cb 0.15 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.64 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 2.50 -2.36 0.54 -0.06 -1.26 -4.92 117.38 111.82 2kkt n GLN 228 Ca 0.00 -1.71 -0.36 0.00 -2.00 0.00 0.00 57.00 52.92 2kkt n GLN 228 Cb 0.00 -1.09 -0.04 0.00 -4.06 0.00 0.00 30.24 25.05 2kkt n GLN 228 CO 0.00 0.00 0.00 -1.01 -0.20 0.00 0.00 177.06 175.85 2kkt s HIS 229 N -1.39 2.21 1.16 3.69 3.76 -1.26 -4.95 115.29 118.51 2kkt s HIS 229 Ca 0.07 -0.16 -0.18 0.00 -0.15 0.00 0.00 55.06 54.63 2kkt s HIS 229 Cb 0.06 -4.44 0.27 0.00 1.11 0.00 0.00 32.58 29.58 2kkt s HIS 229 CO 0.01 -1.93 1.12 0.95 -0.85 0.00 0.00 174.74 174.05 2kkt s THR 230 N 6.96 1.67 0.40 1.30 -4.23 -1.26 -4.53 115.64 115.95 2kkt s THR 230 Ca 0.54 0.00 0.21 0.00 -1.18 0.00 0.00 61.69 61.26 2kkt s THR 230 Cb -0.04 -2.53 0.23 0.00 1.34 0.00 0.00 72.50 71.50 2kkt s THR 230 CO -0.02 0.00 2.00 -0.78 -0.54 0.00 0.00 174.62 175.28 2kkt h ASP 231 N -2.44 0.00 -0.46 3.99 3.58 -1.92 0.02 116.42 119.19 2kkt h ASP 231 Ca -0.46 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 56.91 2kkt h ASP 231 Cb 1.29 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.33 2kkt h ASP 231 CO 0.37 0.18 -0.03 -0.33 -2.88 0.00 0.00 179.24 176.55 2kkt h GLU 232 N 0.00 0.83 -0.17 0.28 5.08 -1.98 0.86 114.58 119.48 2kkt h GLU 232 Ca -0.00 -0.28 -0.10 0.00 -1.00 0.00 0.00 59.36 57.98 2kkt h GLU 232 Cb 0.40 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2kkt h GLU 232 CO 0.02 0.90 -0.32 1.96 -1.00 0.00 0.00 179.01 180.57 2kkt h GLN 233 N 0.67 0.35 -0.17 2.33 4.20 -1.67 0.14 115.11 120.96 2kkt h GLN 233 Ca 0.13 -0.14 -0.15 0.00 0.06 0.00 0.00 58.65 58.54 2kkt h GLN 233 Cb 0.55 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.32 2kkt h GLN 233 CO 0.03 0.63 -0.48 0.00 -0.67 0.00 0.00 178.83 178.35 2kkt h ARG 234 N 0.30 0.63 0.20 1.46 2.47 -0.46 -3.09 114.38 115.89 2kkt h ARG 234 Ca 0.04 -0.45 -0.01 0.00 -1.26 0.00 0.00 59.98 58.30 2kkt h ARG 234 Cb 0.72 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.11 2kkt h ARG 234 CO 0.05 1.07 -0.10 -0.09 0.56 0.00 0.00 179.97 181.47 2kkt h ARG 235 N 0.30 -0.26 -0.70 0.04 2.43 -0.50 -2.74 114.38 112.95 2kkt h ARG 235 Ca -0.01 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2kkt h ARG 235 Cb 1.10 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.67 2kkt h ARG 235 CO 0.10 -0.16 0.46 0.00 -1.51 0.00 0.00 179.97 178.86 2kkt h THR 236 N -0.28 1.18 0.00 0.20 1.03 -0.79 -0.99 112.91 113.27 2kkt h THR 236 Ca -0.03 -0.35 -0.23 0.00 -0.01 0.00 0.00 66.41 65.79 2kkt h THR 236 Cb 0.21 0.16 -0.03 0.00 -1.07 0.00 0.00 68.15 67.42 2kkt h THR 236 CO 0.04 0.18 -1.18 1.62 -0.01 0.00 0.00 175.52 176.18 2kkt h VAL 237 N 0.96 1.50 -0.20 0.00 3.04 -1.47 -1.85 116.25 118.23 2kkt h VAL 237 Ca 0.26 -3.25 -0.20 0.00 -1.01 0.00 0.00 66.70 62.50 2kkt h VAL 237 Cb -0.09 2.75 0.01 0.00 -2.01 0.00 0.00 31.29 31.94 2kkt h VAL 237 CO -0.05 0.86 -0.65 0.03 -1.01 0.00 0.00 177.57 176.74 2kkt h ARG 238 N 0.00 0.80 -0.07 4.17 3.08 -1.12 0.71 114.38 121.95 2kkt h ARG 238 Ca -0.08 -0.59 -0.12 0.00 0.07 0.00 0.00 59.98 59.26 2kkt h ARG 238 Cb 1.83 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.97 2kkt h ARG 238 CO 0.12 1.21 -0.50 -0.24 -1.07 0.00 0.00 179.97 179.48 2kkt h VAL 239 N 0.55 1.35 0.16 2.04 3.04 -1.23 0.25 116.25 122.40 2kkt h VAL 239 Ca -0.02 -1.74 -0.01 0.00 -1.01 0.00 0.00 66.70 63.92 2kkt h VAL 239 Cb 1.27 1.86 0.00 0.00 -2.01 0.00 0.00 31.29 32.42 2kkt h VAL 239 CO 0.14 0.51 -0.08 0.22 -1.01 0.00 0.00 177.57 177.35 2kkt h TYR 240 N 0.14 -0.20 0.01 3.17 3.20 -1.19 -1.21 116.97 120.89 2kkt h TYR 240 Ca 0.00 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 2kkt h TYR 240 Cb 0.94 0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.27 2kkt h TYR 240 CO 0.01 0.11 -0.01 0.74 -1.64 0.00 0.00 178.16 177.38 2kkt h PHE 241 N -0.51 -0.01 -0.01 -3.82 0.04 -0.65 -3.42 116.94 108.56 2kkt h PHE 241 Ca -0.02 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2kkt h PHE 241 Cb 0.40 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.55 2kkt h PHE 241 CO 0.02 0.74 -0.25 1.47 -0.60 0.00 0.00 178.31 179.70 2kkt n LEU 242 N -4.67 1.62 0.00 1.54 -0.00 0.86 -4.93 117.00 111.41 2kkt n LEU 242 Ca -0.08 -0.80 0.00 0.00 -0.00 0.00 0.00 56.01 55.13 2kkt n LEU 242 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.79 2kkt n LEU 242 CO 0.27 0.31 0.00 0.61 -0.00 0.00 0.00 177.39 178.58 2kkt n GLY 243 N 1.03 -0.37 0.23 1.47 0.00 -1.17 -4.93 105.19 101.46 2kkt n GLY 243 Ca 0.06 0.76 0.15 0.00 0.00 0.00 0.00 46.02 47.00 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 -0.19 1.61 0.11 -1.50 0.11 132.00 132.14 2kkt h PRO 244 Ca 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 2kkt h PRO 244 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 2kkt h PRO 244 CO 0.00 0.00 -0.10 0.43 -0.21 0.00 0.00 178.00 178.12 2kkt n SER 245 N -2.56 2.75 -4.66 -2.05 7.64 -1.26 -5.01 113.62 108.46 2kkt n SER 245 Ca -0.02 -3.41 -0.31 0.00 1.01 0.00 0.00 58.87 56.15 2kkt n SER 245 Cb 0.05 -0.54 0.17 0.00 -1.01 0.00 0.00 64.21 62.87 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 -3.04 1.31 -0.68 -0.43 0.00 0.03 -4.85 121.76 114.10 2kkt s ALA 246 Ca 0.40 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.77 2kkt s ALA 246 Cb 0.35 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 20.09 2kkt s ALA 246 CO 0.02 -2.76 0.54 1.33 0.00 0.00 0.00 175.76 174.90 2kkt n VAL 247 N -4.21 0.26 -2.64 0.00 0.24 -1.26 -4.79 118.33 105.93 2kkt n VAL 247 Ca 0.10 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.10 2kkt n VAL 247 Cb 0.53 -0.57 -0.02 0.00 -1.47 0.00 0.00 33.84 32.31 2kkt n VAL 247 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2kkt s LEU 248 N 0.00 3.69 0.00 1.34 1.43 -1.26 -5.25 118.68 118.63 2kkt s LEU 248 Ca 0.00 1.15 0.30 0.00 -1.03 0.00 0.00 54.13 54.55 2kkt s LEU 248 Cb 0.00 -4.08 1.77 0.00 0.03 0.00 0.00 46.19 43.91 2kkt s LEU 248 CO 0.00 -0.52 2.10 -2.65 0.23 0.00 0.00 176.35 175.51