#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kdg s ALA -3 N 0.00 2.49 0.90 4.61 0.00 -1.26 -5.00 121.76 123.50 2kdg s ALA -3 Ca 0.00 0.43 -0.11 0.00 0.00 0.00 0.00 51.96 52.28 2kdg s ALA -3 Cb 0.00 -4.13 0.13 0.00 0.00 0.00 0.00 23.12 19.12 2kdg s ALA -3 CO 0.00 -3.18 1.10 0.00 0.00 0.00 0.00 175.76 173.68 2kdg s MET -2 N 6.66 1.21 0.00 0.00 0.23 -1.26 -4.98 119.30 121.16 2kdg s MET -2 Ca 0.94 1.14 0.00 0.00 -1.03 0.00 0.00 55.69 56.74 2kdg s MET -2 Cb -0.26 -1.78 0.00 0.00 -1.53 0.00 0.00 34.83 31.26 2kdg s MET -2 CO 0.32 -2.36 0.00 0.41 -2.03 0.00 0.00 175.02 171.36 2kdg n GLY -1 N -0.53 0.18 3.76 3.16 0.00 0.06 -4.98 105.19 106.83 2kdg n GLY -1 Ca 0.09 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 2kdg n GLY -1 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kdg s PRO 249 N -2.00 1.89 0.32 1.61 0.04 -1.26 -1.95 135.00 133.65 2kdg s PRO 249 Ca 0.00 0.92 -0.29 0.00 0.04 0.00 0.00 61.00 61.67 2kdg s PRO 249 Cb 0.00 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.56 2kdg s PRO 249 CO 0.00 -1.83 1.36 -1.25 0.04 0.00 0.00 177.00 175.32 2kdg s PRO 250 N -4.97 4.30 0.10 0.56 0.04 -1.26 -4.34 135.00 129.43 2kdg s PRO 250 Ca 0.62 2.28 0.06 0.00 0.04 0.00 0.00 61.00 64.00 2kdg s PRO 250 Cb -0.17 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 2kdg s PRO 250 CO 0.56 -0.28 -0.16 0.50 0.04 0.00 0.00 177.00 177.66 2kdg s ARG 251 N -1.58 0.97 -1.02 4.56 3.52 -0.29 -4.55 118.95 120.56 2kdg s ARG 251 Ca 0.51 -1.11 -0.23 0.00 -0.13 0.00 0.00 55.73 54.78 2kdg s ARG 251 Cb -0.41 -1.00 0.02 0.00 -1.56 0.00 0.00 34.95 32.00 2kdg s ARG 251 CO 0.53 0.22 1.65 -0.06 -0.81 0.00 0.00 175.30 176.82 2kdg s PHE 252 N -1.55 2.31 -0.12 5.12 0.40 -1.26 -3.49 117.98 119.39 2kdg s PHE 252 Ca 0.04 -0.40 -0.06 0.00 -0.60 0.00 0.00 56.93 55.91 2kdg s PHE 252 Cb -0.08 -4.47 -0.04 0.00 0.51 0.00 0.00 43.02 38.94 2kdg s PHE 252 CO 0.03 -1.84 0.03 0.82 0.70 0.00 0.00 175.22 174.96 2kdg h ILE 253 N 6.81 0.19 -2.54 0.64 1.08 -1.93 -3.49 117.51 118.26 2kdg h ILE 253 Ca 0.19 -1.16 -0.09 0.00 -0.39 0.00 0.00 64.86 63.41 2kdg h ILE 253 Cb 0.99 0.37 -0.21 0.00 -3.07 0.00 0.00 36.82 34.91 2kdg h ILE 253 CO 1.36 0.06 -0.08 -1.58 -0.69 0.00 0.00 178.15 177.22 2kdg s GLN 254 N -1.81 0.76 0.12 2.37 0.74 -1.23 -5.04 119.66 115.57 2kdg s GLN 254 Ca -0.06 0.25 0.07 0.00 0.05 0.00 0.00 55.36 55.67 2kdg s GLN 254 Cb 0.00 0.36 -0.04 0.00 1.10 0.00 0.00 33.01 34.43 2kdg s GLN 254 CO 0.14 -0.19 -0.18 0.14 -0.55 0.00 0.00 175.29 174.65 2kdg s VAL 255 N -0.75 1.57 0.62 1.34 -7.23 -1.26 -1.61 120.40 113.08 2kdg s VAL 255 Ca -0.08 -1.64 -0.13 0.00 -1.81 0.00 0.00 61.98 58.32 2kdg s VAL 255 Cb -0.03 -1.55 -0.03 0.00 0.56 0.00 0.00 36.38 35.33 2kdg s VAL 255 CO 0.05 -0.22 1.04 -2.16 -0.31 0.00 0.00 175.10 173.49 2kdg s PRO 256 N -2.27 3.38 0.89 4.82 0.04 -1.25 -5.03 135.00 135.58 2kdg s PRO 256 Ca 0.08 0.98 -0.12 0.00 0.04 0.00 0.00 61.00 61.98 2kdg s PRO 256 Cb -0.08 -2.05 0.13 0.00 0.04 0.00 0.00 34.50 32.54 2kdg s PRO 256 CO 0.04 -0.75 1.12 -1.21 0.04 0.00 0.00 177.00 176.24 2kdg s GLU 257 N -4.61 1.30 0.87 4.56 2.02 -1.26 -4.82 118.70 116.76 2kdg s GLU 257 Ca 0.59 0.45 -0.11 0.00 0.02 0.00 0.00 54.97 55.92 2kdg s GLU 257 Cb -0.13 -1.84 0.12 0.00 0.10 0.00 0.00 34.13 32.37 2kdg s GLU 257 CO 0.45 -2.12 1.18 0.54 0.02 0.00 0.00 175.26 175.33 2kdg s ASN 258 N -3.87 3.18 0.11 -0.19 2.20 -1.26 -4.78 114.94 110.34 2kdg s ASN 258 Ca 0.63 2.28 0.06 0.00 -0.94 0.00 0.00 52.86 54.90 2kdg s ASN 258 Cb -0.15 -2.58 -0.04 0.00 -2.00 0.00 0.00 41.25 36.48 2kdg s ASN 258 CO 0.54 -2.93 -0.16 -0.04 -2.94 0.00 0.00 177.10 171.57 2kdg s MET 259 N -4.41 1.02 -0.10 3.55 -1.94 -0.10 -4.99 119.30 112.33 2kdg s MET 259 Ca 0.70 -1.17 -0.03 0.00 -1.71 0.00 0.00 55.69 53.47 2kdg s MET 259 Cb -0.26 -1.02 0.05 0.00 2.01 0.00 0.00 34.83 35.62 2kdg s MET 259 CO 0.55 0.21 0.12 -1.54 -0.01 0.00 0.00 175.02 174.35 2kdg s SER 260 N -2.21 1.28 -0.07 3.03 1.04 -1.26 -0.90 113.70 114.61 2kdg s SER 260 Ca 0.07 -0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.51 2kdg s SER 260 Cb -0.07 0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.11 2kdg s SER 260 CO 0.03 -0.28 -0.11 -0.63 0.98 0.00 0.00 173.24 173.23 2kdg s ILE 261 N 2.22 1.07 0.15 -1.02 -1.09 -1.17 -4.95 121.20 116.42 2kdg s ILE 261 Ca 0.04 -0.44 -0.31 0.00 -2.23 0.00 0.00 60.65 57.71 2kdg s ILE 261 Cb -0.13 -0.99 -0.11 0.00 -1.58 0.00 0.00 42.46 39.65 2kdg s ILE 261 CO -0.06 0.34 1.77 -0.62 -1.23 0.00 0.00 174.94 175.15 2kdg s ASP 262 N 0.74 6.42 0.22 3.58 2.15 -1.26 -0.80 116.67 127.72 2kdg s ASP 262 Ca -0.13 2.79 -0.32 0.00 0.43 0.00 0.00 52.55 55.31 2kdg s ASP 262 Cb -0.16 -2.58 -0.14 0.00 -0.30 0.00 0.00 42.92 39.75 2kdg s ASP 262 CO 0.03 -0.98 1.36 1.21 -0.17 0.00 0.00 175.17 176.61 2kdg n GLU 263 N 4.99 1.83 0.00 4.34 2.13 -0.38 -2.80 120.64 130.74 2kdg n GLU 263 Ca 0.17 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.64 2kdg n GLU 263 Cb 0.37 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 29.81 2kdg n GLU 263 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kdg n GLY 264 N 2.19 1.18 3.81 8.31 0.00 0.01 -4.86 105.19 115.83 2kdg n GLY 264 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 2kdg n GLY 264 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kdg s ARG 265 N -0.79 2.56 0.29 1.61 0.52 -1.12 -4.60 118.95 117.42 2kdg s ARG 265 Ca 0.00 0.88 -0.29 0.00 -0.52 0.00 0.00 55.73 55.81 2kdg s ARG 265 Cb 0.00 -1.95 -0.09 0.00 0.52 0.00 0.00 34.95 33.42 2kdg s ARG 265 CO 0.00 -1.35 1.05 0.12 0.02 0.00 0.00 175.30 175.14 2kdg s PHE 266 N -3.06 3.62 0.26 -0.53 2.19 -1.24 -1.99 117.98 117.23 2kdg s PHE 266 Ca 0.59 1.74 -0.08 0.00 0.33 0.00 0.00 56.93 59.51 2kdg s PHE 266 Cb -0.15 -3.18 -0.01 0.00 -1.31 0.00 0.00 43.02 38.38 2kdg s PHE 266 CO 0.55 -0.32 0.41 0.00 1.83 0.00 0.00 175.22 177.70 2kdg s ARG 268 N -3.80 1.58 0.32 0.00 1.70 -1.26 -0.69 118.95 116.80 2kdg s ARG 268 Ca 0.27 -1.24 0.09 0.00 -0.47 0.00 0.00 55.73 54.38 2kdg s ARG 268 Cb 0.01 0.48 -0.06 0.00 -0.57 0.00 0.00 34.95 34.81 2kdg s ARG 268 CO 0.12 -0.66 -0.09 -1.64 -1.08 0.00 0.00 175.30 171.95 2kdg s MET 269 N -3.98 1.73 -0.25 3.89 -1.94 -0.74 -4.98 119.30 113.02 2kdg s MET 269 Ca 0.22 -1.88 -0.04 0.00 -1.71 0.00 0.00 55.69 52.28 2kdg s MET 269 Cb -0.01 -1.53 0.09 0.00 2.01 0.00 0.00 34.83 35.38 2kdg s MET 269 CO 0.09 0.12 0.11 -0.51 -0.01 0.00 0.00 175.02 174.81 2kdg s ASP 270 N -3.55 3.27 -0.30 3.03 1.01 -1.26 -3.83 116.67 115.03 2kdg s ASP 270 Ca 0.31 -1.13 -0.01 0.00 0.71 0.00 0.00 52.55 52.43 2kdg s ASP 270 Cb 0.03 -0.43 0.05 0.00 1.01 0.00 0.00 42.92 43.58 2kdg s ASP 270 CO 0.15 -0.40 -0.01 -0.36 0.21 0.00 0.00 175.17 174.76 2kdg s PHE 271 N 2.01 3.28 -1.38 4.23 0.40 -0.58 -3.91 117.98 122.03 2kdg s PHE 271 Ca 0.06 -1.95 -0.16 0.00 -0.60 0.00 0.00 56.93 54.28 2kdg s PHE 271 Cb -0.16 -2.12 0.05 0.00 0.51 0.00 0.00 43.02 41.30 2kdg s PHE 271 CO -0.26 -0.82 2.00 1.63 0.70 0.00 0.00 175.22 178.47 2kdg n LYS 272 N 4.59 3.02 -2.69 0.44 5.02 -0.63 -0.69 118.16 127.21 2kdg n LYS 272 Ca -0.13 -2.92 -0.42 0.00 -2.02 0.00 0.00 58.31 52.82 2kdg n LYS 272 Cb 0.43 -3.39 -0.03 0.00 -0.02 0.00 0.00 35.03 32.03 2kdg n LYS 272 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2kdg s VAL 273 N 3.68 4.81 -0.13 -0.18 0.11 -1.26 -3.25 120.40 124.19 2kdg s VAL 273 Ca 0.50 2.04 -0.02 0.00 -2.93 0.00 0.00 61.98 61.57 2kdg s VAL 273 Cb 0.09 -4.31 0.04 0.00 -1.53 0.00 0.00 36.38 30.68 2kdg s VAL 273 CO -0.01 0.10 0.02 -0.44 -3.33 0.00 0.00 175.10 171.44 2kdg s SER 274 N 1.05 2.18 0.27 3.54 0.01 -1.23 -3.56 113.70 115.97 2kdg s SER 274 Ca 0.51 -0.42 -0.19 0.00 1.31 0.00 0.00 55.95 57.15 2kdg s SER 274 Cb -0.20 -0.50 0.02 0.00 0.21 0.00 0.00 66.02 65.55 2kdg s SER 274 CO 0.24 -0.25 0.67 -0.83 0.41 0.00 0.00 173.24 173.48 2kdg s GLY 275 N 1.93 0.02 -0.07 3.44 0.00 -1.26 -1.14 107.32 110.25 2kdg s GLY 275 Ca 0.02 -0.41 -0.03 0.00 0.00 0.00 0.00 44.72 44.31 2kdg s GLY 275 CO -0.07 -0.19 0.12 -2.27 0.00 0.00 0.00 173.10 170.70 2kdg s LEU 276 N -2.94 0.01 0.99 0.66 2.96 -0.82 -4.07 118.68 115.46 2kdg s LEU 276 Ca 0.13 0.24 -0.12 0.00 -0.22 0.00 0.00 54.13 54.16 2kdg s LEU 276 Cb -0.05 0.12 0.18 0.00 0.50 0.00 0.00 46.19 46.95 2kdg s LEU 276 CO 0.07 -0.25 1.08 -2.16 -1.32 0.00 0.00 176.35 173.78 2kdg s PRO 277 N 2.24 0.51 0.05 0.98 0.04 -1.26 -0.76 135.00 136.80 2kdg s PRO 277 Ca 0.04 0.71 -0.33 0.00 0.04 0.00 0.00 61.00 61.46 2kdg s PRO 277 Cb -0.12 -1.73 -0.12 0.00 0.04 0.00 0.00 34.50 32.57 2kdg s PRO 277 CO -0.05 -2.72 1.78 0.00 0.04 0.00 0.00 177.00 176.05 2kdg n ALA 278 N -4.20 1.39 -1.73 8.56 0.00 -1.26 -4.85 120.51 118.42 2kdg n ALA 278 Ca 0.06 0.34 -0.34 0.00 0.00 0.00 0.00 53.44 53.49 2kdg n ALA 278 Cb 0.56 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.52 2kdg n ALA 278 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2kdg s PRO 279 N 2.80 3.37 0.11 0.00 0.04 -1.26 -4.94 135.00 135.13 2kdg s PRO 279 Ca 0.86 1.47 -0.31 0.00 0.04 0.00 0.00 61.00 63.06 2kdg s PRO 279 Cb -0.62 -2.02 -0.08 0.00 0.04 0.00 0.00 34.50 31.82 2kdg s PRO 279 CO 0.43 -0.81 1.35 0.34 0.04 0.00 0.00 177.00 178.36 2kdg s ASP 280 N -2.06 6.87 -0.05 6.66 2.15 0.21 -4.80 116.67 125.65 2kdg s ASP 280 Ca 0.70 2.29 0.05 0.00 0.43 0.00 0.00 52.55 56.01 2kdg s ASP 280 Cb -0.21 -2.59 -0.00 0.00 -0.30 0.00 0.00 42.92 39.82 2kdg s ASP 280 CO 0.29 -0.61 -0.19 0.68 -0.17 0.00 0.00 175.17 175.17 2kdg s VAL 281 N 0.99 1.58 -0.13 1.11 -7.23 -1.26 -0.94 120.40 114.53 2kdg s VAL 281 Ca 0.63 -0.80 -0.03 0.00 -1.81 0.00 0.00 61.98 59.98 2kdg s VAL 281 Cb -0.36 -1.36 0.05 0.00 0.56 0.00 0.00 36.38 35.27 2kdg s VAL 281 CO 0.31 0.45 0.04 -0.44 -0.31 0.00 0.00 175.10 175.15 2kdg s SER 282 N 0.04 2.16 0.33 4.85 0.01 -0.46 -5.00 113.70 115.63 2kdg s SER 282 Ca -0.05 -0.43 -0.12 0.00 1.31 0.00 0.00 55.95 56.66 2kdg s SER 282 Cb -0.13 -0.43 -0.07 0.00 0.21 0.00 0.00 66.02 65.60 2kdg s SER 282 CO 0.03 -0.27 0.70 0.26 0.41 0.00 0.00 173.24 174.37 2kdg s TRP 283 N 1.98 3.42 0.07 2.43 0.52 -1.26 -1.33 118.94 124.77 2kdg s TRP 283 Ca 0.02 1.04 -0.03 0.00 0.02 0.00 0.00 56.10 57.16 2kdg s TRP 283 Cb -0.15 -2.41 -0.03 0.00 -1.15 0.00 0.00 33.47 29.73 2kdg s TRP 283 CO -0.07 0.07 0.03 0.71 0.02 0.00 0.00 176.95 177.71 2kdg s TYR 284 N -2.09 0.47 -0.13 -1.98 1.51 0.30 -1.15 117.35 114.28 2kdg s TYR 284 Ca 0.51 -0.98 -0.05 0.00 -1.01 0.00 0.00 57.07 55.55 2kdg s TYR 284 Cb -0.10 -0.32 0.06 0.00 -0.11 0.00 0.00 41.96 41.49 2kdg s TYR 284 CO 0.24 -0.43 0.27 -1.17 -1.11 0.00 0.00 175.55 173.34 2kdg s LEU 285 N -2.92 -0.25 -0.78 -1.29 2.96 0.17 -1.33 118.68 115.23 2kdg s LEU 285 Ca 0.08 0.60 0.00 0.00 -0.22 0.00 0.00 54.13 54.59 2kdg s LEU 285 Cb 0.07 0.72 0.00 0.00 0.50 0.00 0.00 46.19 47.48 2kdg s LEU 285 CO -0.09 -0.23 0.00 0.59 -1.32 0.00 0.00 176.35 175.30 2kdg n ASN 286 N 5.25 -4.31 0.00 3.68 3.02 -0.44 -1.57 115.26 120.89 2kdg n ASN 286 Ca -0.08 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 2kdg n ASN 286 Cb 0.50 -3.23 0.00 0.00 -0.61 0.00 0.00 39.78 36.44 2kdg n ASN 286 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kdg n GLY 287 N 0.26 0.64 3.97 7.41 0.00 -1.26 -5.07 105.19 111.14 2kdg n GLY 287 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 2kdg n GLY 287 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kdg s ARG 288 N -0.59 3.44 0.72 1.61 0.52 -0.61 -5.12 118.95 118.94 2kdg s ARG 288 Ca 0.00 -0.72 -0.12 0.00 -0.52 0.00 0.00 55.73 54.38 2kdg s ARG 288 Cb 0.00 -2.88 0.03 0.00 0.52 0.00 0.00 34.95 32.62 2kdg s ARG 288 CO 0.00 0.41 1.08 0.95 0.02 0.00 0.00 175.30 177.76 2kdg s THR 289 N -1.99 3.57 -0.27 0.02 -4.23 -1.26 -0.66 115.64 110.81 2kdg s THR 289 Ca 0.34 0.55 -0.03 0.00 -1.18 0.00 0.00 61.69 61.38 2kdg s THR 289 Cb -0.09 -3.12 0.09 0.00 1.34 0.00 0.00 72.50 70.72 2kdg s THR 289 CO 0.30 -0.62 0.10 -0.69 -0.54 0.00 0.00 174.62 173.16 2kdg s VAL 290 N -2.84 0.42 0.66 2.29 1.01 -0.30 -4.63 120.40 117.01 2kdg s VAL 290 Ca 0.61 -0.95 -0.15 0.00 0.00 0.00 0.00 61.98 61.49 2kdg s VAL 290 Cb -0.16 -1.25 -0.00 0.00 0.00 0.00 0.00 36.38 34.97 2kdg s VAL 290 CO 0.52 -0.58 1.10 -1.10 0.00 0.00 0.00 175.10 175.04 2kdg s GLN 291 N 1.86 2.83 0.78 2.72 -0.21 -1.26 -4.22 119.66 122.16 2kdg s GLN 291 Ca 0.07 1.36 -0.11 0.00 0.02 0.00 0.00 55.36 56.71 2kdg s GLN 291 Cb -0.17 -1.96 0.06 0.00 1.00 0.00 0.00 33.01 31.95 2kdg s GLN 291 CO -0.25 -1.22 1.09 -1.54 -2.12 0.00 0.00 175.29 171.25 2kdg s SER 292 N -2.64 4.43 0.25 5.90 1.04 -1.26 -5.00 113.70 116.41 2kdg s SER 292 Ca 0.66 1.81 -0.14 0.00 0.48 0.00 0.00 55.95 58.77 2kdg s SER 292 Cb -0.20 -2.51 -0.00 0.00 0.10 0.00 0.00 66.02 63.41 2kdg s SER 292 CO 0.42 -2.08 0.50 -0.62 0.98 0.00 0.00 173.24 172.43 2kdg s ASP 293 N -3.38 -0.11 0.40 7.02 2.15 -0.67 -4.95 116.67 117.12 2kdg s ASP 293 Ca 0.61 -0.88 0.10 0.00 0.43 0.00 0.00 52.55 52.81 2kdg s ASP 293 Cb -0.17 0.60 0.89 0.00 -0.30 0.00 0.00 42.92 43.93 2kdg s ASP 293 CO 0.56 -1.15 1.97 -0.78 -0.17 0.00 0.00 175.17 175.60 2kdg h ASP 294 N 2.23 0.52 1.22 -0.34 3.58 -2.01 -1.49 116.42 120.13 2kdg h ASP 294 Ca -0.26 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.20 2kdg h ASP 294 Cb 1.25 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.20 2kdg h ASP 294 CO 0.35 0.32 -0.19 0.18 -2.88 0.00 0.00 179.24 177.02 2kdg n LEU 295 N -4.48 0.68 -3.24 2.28 4.77 -1.26 -4.53 117.00 111.22 2kdg n LEU 295 Ca 0.10 0.45 -0.24 0.00 -0.03 0.00 0.00 56.01 56.29 2kdg n LEU 295 Cb 0.30 -0.30 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 2kdg n LEU 295 CO 0.34 -0.11 -0.21 1.41 -1.33 0.00 0.00 177.39 177.48 2kdg n HIS 296 N -2.11 0.61 -2.30 -1.77 8.25 -0.57 -1.16 115.22 116.18 2kdg n HIS 296 Ca 0.05 -3.71 -0.41 0.00 -0.26 0.00 0.00 57.72 53.39 2kdg n HIS 296 Cb 0.42 -0.40 -0.03 0.00 1.12 0.00 0.00 29.99 31.10 2kdg n HIS 296 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2kdg s LYS 297 N -1.55 4.44 -0.30 -0.41 1.02 -1.13 -1.67 119.74 120.14 2kdg s LYS 297 Ca 0.36 1.95 -0.01 0.00 0.02 0.00 0.00 55.97 58.30 2kdg s LYS 297 Cb 0.17 -3.23 0.10 0.00 -0.52 0.00 0.00 37.83 34.35 2kdg s LYS 297 CO -0.09 -0.18 0.09 -1.64 -0.92 0.00 0.00 175.35 172.61 2kdg s MET 298 N -0.04 0.75 0.09 1.68 -1.94 -1.26 -1.22 119.30 117.35 2kdg s MET 298 Ca 0.55 -1.04 0.02 0.00 -1.71 0.00 0.00 55.69 53.51 2kdg s MET 298 Cb -0.34 -2.03 -0.04 0.00 2.01 0.00 0.00 34.83 34.43 2kdg s MET 298 CO 0.37 -0.95 -0.06 0.96 -0.01 0.00 0.00 175.02 175.32 2kdg s ILE 299 N 1.62 0.64 0.32 2.53 -0.00 -1.01 -5.03 121.20 120.27 2kdg s ILE 299 Ca 0.09 -1.85 0.06 0.00 -0.00 0.00 0.00 60.65 58.94 2kdg s ILE 299 Cb -0.17 -1.58 -0.06 0.00 -0.00 0.00 0.00 42.46 40.65 2kdg s ILE 299 CO -0.23 -0.84 0.00 0.68 -0.00 0.00 0.00 174.94 174.55 2kdg s VAL 300 N -3.46 1.53 0.05 8.37 -7.23 -1.26 -0.96 120.40 117.44 2kdg s VAL 300 Ca 0.10 -2.05 0.05 0.00 -1.81 0.00 0.00 61.98 58.26 2kdg s VAL 300 Cb 0.04 -2.70 -0.02 0.00 0.56 0.00 0.00 36.38 34.26 2kdg s VAL 300 CO -0.05 -0.12 -0.13 -0.55 -0.31 0.00 0.00 175.10 173.94 2kdg s SER 301 N -3.51 1.54 0.66 4.85 0.15 -0.26 -4.98 113.70 112.15 2kdg s SER 301 Ca 0.33 -0.51 0.39 0.00 0.70 0.00 0.00 55.95 56.87 2kdg s SER 301 Cb 0.07 -0.07 2.15 0.00 -1.71 0.00 0.00 66.02 66.46 2kdg s SER 301 CO 0.15 -0.03 2.22 1.05 1.20 0.00 0.00 173.24 177.83 2kdg h GLU 302 N 4.71 0.00 0.00 5.44 4.11 -2.01 -2.75 114.58 124.09 2kdg h GLU 302 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.05 2kdg h GLU 302 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2kdg h GLU 302 CO 0.42 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.13 2kdg n LYS 303 N -3.07 0.78 -1.51 1.06 4.76 -1.26 -4.92 118.16 114.00 2kdg n LYS 303 Ca -0.02 0.01 -0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2kdg n LYS 303 Cb 0.18 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 2kdg n LYS 303 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kdg n GLY 304 N 0.85 0.79 3.28 0.72 0.00 -1.04 -5.08 105.19 104.72 2kdg n GLY 304 Ca 0.20 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 2kdg n GLY 304 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kdg s LEU 305 N -2.92 0.63 -0.05 0.99 2.96 -1.23 -4.13 118.68 114.92 2kdg s LEU 305 Ca 0.00 0.26 0.01 0.00 -0.22 0.00 0.00 54.13 54.19 2kdg s LEU 305 Cb -0.00 1.43 0.02 0.00 0.50 0.00 0.00 46.19 48.13 2kdg s LEU 305 CO 0.00 -0.42 -0.06 -2.28 -1.32 0.00 0.00 176.35 172.27 2kdg s HIS 306 N -1.09 0.94 0.04 5.38 5.65 0.13 -1.10 115.29 125.25 2kdg s HIS 306 Ca -0.11 -0.30 0.03 0.00 0.25 0.00 0.00 55.06 54.93 2kdg s HIS 306 Cb -0.04 -0.78 -0.04 0.00 -1.18 0.00 0.00 32.58 30.54 2kdg s HIS 306 CO 0.04 -0.22 -0.01 -1.12 -0.65 0.00 0.00 174.74 172.78 2kdg s SER 307 N 0.89 4.99 -0.22 9.88 0.01 -0.13 -1.52 113.70 127.60 2kdg s SER 307 Ca -0.11 -0.11 -0.02 0.00 1.31 0.00 0.00 55.95 57.02 2kdg s SER 307 Cb -0.15 -1.23 0.07 0.00 0.21 0.00 0.00 66.02 64.92 2kdg s SER 307 CO 0.01 0.23 0.02 -0.22 0.41 0.00 0.00 173.24 173.69 2kdg s LEU 308 N -1.89 1.69 0.27 2.44 0.20 -1.25 -2.41 118.68 117.73 2kdg s LEU 308 Ca 0.22 -1.03 -0.10 0.00 0.69 0.00 0.00 54.13 53.91 2kdg s LEU 308 Cb -0.12 -0.78 -0.07 0.00 -0.43 0.00 0.00 46.19 44.79 2kdg s LEU 308 CO 0.14 -0.30 0.60 -0.63 -0.29 0.00 0.00 176.35 175.86 2kdg s ILE 309 N 1.70 4.90 -0.32 6.68 1.09 -0.35 -1.79 121.20 133.11 2kdg s ILE 309 Ca -0.01 0.49 -0.00 0.00 -1.10 0.00 0.00 60.65 60.04 2kdg s ILE 309 Cb -0.18 -3.64 0.10 0.00 -1.06 0.00 0.00 42.46 37.68 2kdg s ILE 309 CO -0.10 -0.16 0.10 -0.36 -0.10 0.00 0.00 174.94 174.31 2kdg s PHE 310 N -1.93 1.94 0.26 3.97 0.40 0.14 -3.75 117.98 119.01 2kdg s PHE 310 Ca 0.48 -1.89 -0.04 0.00 -0.60 0.00 0.00 56.93 54.88 2kdg s PHE 310 Cb -0.11 -1.85 0.33 0.00 0.51 0.00 0.00 43.02 41.90 2kdg s PHE 310 CO 0.23 -0.88 1.85 0.93 0.70 0.00 0.00 175.22 178.05 2kdg h GLU 311 N 8.00 1.04 -1.79 0.44 4.39 -1.39 -1.71 114.58 123.56 2kdg h GLU 311 Ca -0.12 -0.15 -0.34 0.00 0.34 0.00 0.00 59.36 59.08 2kdg h GLU 311 Cb 1.01 -0.19 -0.29 0.00 -0.10 0.00 0.00 28.75 29.19 2kdg h GLU 311 CO 0.48 0.82 -0.68 0.54 -1.16 0.00 0.00 179.01 179.00 2kdg s VAL 312 N -5.55 -0.39 0.30 3.13 0.11 -1.25 -3.72 120.40 113.02 2kdg s VAL 312 Ca -0.11 -1.13 -0.29 0.00 -2.93 0.00 0.00 61.98 57.52 2kdg s VAL 312 Cb 0.16 -0.59 -0.10 0.00 -1.53 0.00 0.00 36.38 34.32 2kdg s VAL 312 CO 0.81 -0.55 1.22 0.54 -3.33 0.00 0.00 175.10 173.80 2kdg s VAL 313 N 1.20 3.06 0.21 2.04 0.11 -0.84 -4.84 120.40 121.33 2kdg s VAL 313 Ca 0.21 1.05 0.06 0.00 -2.93 0.00 0.00 61.98 60.37 2kdg s VAL 313 Cb -0.10 -3.67 -0.05 0.00 -1.53 0.00 0.00 36.38 31.03 2kdg s VAL 313 CO -0.05 0.24 -0.10 -0.13 -3.33 0.00 0.00 175.10 171.73 2kdg s ARG 314 N -1.52 1.30 0.39 1.54 1.81 -1.26 -0.81 118.95 120.40 2kdg s ARG 314 Ca 0.48 -1.60 0.15 0.00 -1.72 0.00 0.00 55.73 53.03 2kdg s ARG 314 Cb -0.36 -0.92 1.00 0.00 -0.45 0.00 0.00 34.95 34.21 2kdg s ARG 314 CO 0.47 0.09 1.85 0.00 -0.68 0.00 0.00 175.30 177.03 2kdg h ALA 315 N 2.55 2.08 0.00 2.13 0.00 -1.95 -0.52 119.26 123.55 2kdg h ALA 315 Ca -0.38 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2kdg h ALA 315 Cb 1.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2kdg h ALA 315 CO 0.64 -0.37 0.00 0.77 0.00 0.00 0.00 179.25 180.29 2kdg h SER 316 N 0.50 0.00 0.52 0.00 0.02 -1.97 -2.85 113.55 109.76 2kdg h SER 316 Ca 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 2kdg h SER 316 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 2kdg h SER 316 CO -0.21 0.00 -0.07 0.47 -1.14 0.00 0.00 176.83 175.88 2kdg n ASP 317 N -2.72 0.23 -4.75 3.07 8.00 -0.20 -4.93 116.55 115.24 2kdg n ASP 317 Ca -0.01 -0.28 -0.35 0.00 0.71 0.00 0.00 54.79 54.86 2kdg n ASP 317 Cb 0.16 -0.18 0.04 0.00 -0.02 0.00 0.00 41.12 41.11 2kdg n ASP 317 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kdg s ALA 318 N -2.59 2.50 0.00 2.24 0.00 -1.08 -4.94 121.76 117.89 2kdg s ALA 318 Ca 0.26 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.16 2kdg s ALA 318 Cb 0.20 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.89 2kdg s ALA 318 CO 0.49 -1.22 0.00 0.41 0.00 0.00 0.00 175.76 175.43 2kdg n GLY 319 N 0.36 0.90 3.51 0.00 0.00 -0.41 -5.00 105.19 104.56 2kdg n GLY 319 Ca 0.13 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 2kdg n GLY 319 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kdg s ALA 320 N -1.13 3.03 0.41 4.61 0.00 -1.26 -1.17 121.76 126.26 2kdg s ALA 320 Ca 0.00 -1.42 -0.22 0.00 0.00 0.00 0.00 51.96 50.32 2kdg s ALA 320 Cb 0.00 -3.93 -0.11 0.00 0.00 0.00 0.00 23.12 19.08 2kdg s ALA 320 CO 0.00 -2.76 0.96 0.71 0.00 0.00 0.00 175.76 174.67 2kdg s TYR 321 N 4.52 3.36 0.07 0.00 1.51 -0.26 -1.32 117.35 125.22 2kdg s TYR 321 Ca 0.30 1.64 -0.06 0.00 -1.01 0.00 0.00 57.07 57.93 2kdg s TYR 321 Cb -0.12 -2.88 -0.01 0.00 -0.11 0.00 0.00 41.96 38.84 2kdg s TYR 321 CO 0.16 -0.10 0.13 0.00 -1.11 0.00 0.00 175.55 174.62 2kdg s ALA 322 N -2.07 -0.03 -0.08 3.71 0.00 -0.45 -1.26 121.76 121.58 2kdg s ALA 322 Ca 0.60 -0.74 -0.02 0.00 0.00 0.00 0.00 51.96 51.80 2kdg s ALA 322 Cb -0.11 0.40 0.03 0.00 0.00 0.00 0.00 23.12 23.44 2kdg s ALA 322 CO 0.15 -0.45 0.04 0.00 0.00 0.00 0.00 175.76 175.50 2kdg s VAL 324 N 2.06 5.00 -0.13 0.00 1.01 -0.44 -1.26 120.40 126.65 2kdg s VAL 324 Ca 0.04 1.32 0.02 0.00 0.00 0.00 0.00 61.98 63.36 2kdg s VAL 324 Cb -0.13 -4.00 -0.00 0.00 0.00 0.00 0.00 36.38 32.25 2kdg s VAL 324 CO -0.05 0.12 -0.19 0.00 0.00 0.00 0.00 175.10 174.99 2kdg s ALA 325 N 1.73 2.37 -0.04 5.51 0.00 0.02 -1.35 121.76 129.99 2kdg s ALA 325 Ca 0.32 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.31 2kdg s ALA 325 Cb -0.16 -1.04 0.02 0.00 0.00 0.00 0.00 23.12 21.94 2kdg s ALA 325 CO 0.12 0.16 -0.05 0.15 0.00 0.00 0.00 175.76 176.13 2kdg s LYS 326 N 0.53 0.91 0.36 0.00 1.02 -0.11 -0.93 119.74 121.52 2kdg s LYS 326 Ca -0.12 -0.14 0.06 0.00 0.02 0.00 0.00 55.97 55.79 2kdg s LYS 326 Cb -0.16 -0.88 -0.02 0.00 -0.52 0.00 0.00 37.83 36.24 2kdg s LYS 326 CO 0.04 -0.06 0.23 0.27 -0.92 0.00 0.00 175.35 174.91 2kdg n ASN 327 N 3.97 0.04 0.16 2.83 0.23 -0.45 -0.62 115.26 121.42 2kdg n ASN 327 Ca -0.25 -3.16 0.10 0.00 -0.53 0.00 0.00 54.58 50.74 2kdg n ASN 327 Cb 0.51 1.41 0.56 0.00 -2.08 0.00 0.00 39.78 40.18 2kdg n ASN 327 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 2kdg n ARG 328 N -0.74 0.13 -0.00 -3.83 1.85 -1.26 -2.43 116.66 110.38 2kdg n ARG 328 Ca 0.02 0.63 0.06 0.00 -1.00 0.00 0.00 57.85 57.56 2kdg n ARG 328 Cb 0.60 -1.96 -0.07 0.00 -1.05 0.00 0.00 32.46 29.98 2kdg n ARG 328 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kdg n ALA 329 N -1.75 3.32 0.00 2.89 0.00 -1.26 -5.08 120.51 118.63 2kdg n ALA 329 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2kdg n ALA 329 Cb 0.06 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.07 2kdg n ALA 329 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kdg n GLY 330 N 1.40 -1.68 3.07 0.00 0.00 -1.02 -4.51 105.19 102.45 2kdg n GLY 330 Ca 0.01 -1.19 -0.15 0.00 0.00 0.00 0.00 46.02 44.69 2kdg n GLY 330 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kdg s GLU 331 N -1.77 0.60 0.14 1.61 2.12 -1.26 -1.34 118.70 118.80 2kdg s GLU 331 Ca 0.00 -0.68 0.01 0.00 0.36 0.00 0.00 54.97 54.66 2kdg s GLU 331 Cb 0.00 -0.46 -0.04 0.00 0.26 0.00 0.00 34.13 33.89 2kdg s GLU 331 CO 0.00 0.10 -0.01 0.00 -0.54 0.00 0.00 175.26 174.81 2kdg s ALA 332 N -1.09 1.15 -0.09 6.30 0.00 -0.10 -4.87 121.76 123.06 2kdg s ALA 332 Ca -0.06 -1.50 -0.04 0.00 0.00 0.00 0.00 51.96 50.37 2kdg s ALA 332 Cb -0.08 0.49 0.05 0.00 0.00 0.00 0.00 23.12 23.57 2kdg s ALA 332 CO 0.01 -0.33 0.18 0.99 0.00 0.00 0.00 175.76 176.61 2kdg s THR 333 N -3.72 -0.19 0.20 0.00 2.01 -1.26 -0.80 115.64 111.87 2kdg s THR 333 Ca 0.20 0.27 0.09 0.00 0.31 0.00 0.00 61.69 62.56 2kdg s THR 333 Cb 0.06 -0.31 -0.04 0.00 0.01 0.00 0.00 72.50 72.22 2kdg s THR 333 CO 0.01 0.11 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.63 2kdg s PHE 334 N 1.84 2.68 0.01 4.92 0.08 -0.38 -4.96 117.98 122.16 2kdg s PHE 334 Ca -0.02 -0.21 -0.03 0.00 0.12 0.00 0.00 56.93 56.79 2kdg s PHE 334 Cb -0.12 -1.28 -0.01 0.00 -0.57 0.00 0.00 43.02 41.04 2kdg s PHE 334 CO -0.07 0.54 0.04 0.99 -0.10 0.00 0.00 175.22 176.62 2kdg s THR 335 N -1.83 0.09 0.25 0.64 2.01 -1.26 -1.02 115.64 114.52 2kdg s THR 335 Ca 0.27 -0.71 -0.10 0.00 0.31 0.00 0.00 61.69 61.46 2kdg s THR 335 Cb -0.08 -0.29 -0.01 0.00 0.01 0.00 0.00 72.50 72.13 2kdg s THR 335 CO 0.17 -0.39 0.43 0.54 -0.69 0.00 0.00 174.62 174.68 2kdg s VAL 336 N -1.22 0.00 -0.01 3.82 0.11 -0.39 -4.76 120.40 117.96 2kdg s VAL 336 Ca -0.13 -1.51 0.05 0.00 -2.93 0.00 0.00 61.98 57.45 2kdg s VAL 336 Cb -0.08 -2.30 -0.01 0.00 -1.53 0.00 0.00 36.38 32.45 2kdg s VAL 336 CO -0.00 0.00 -0.15 -1.58 -3.33 0.00 0.00 175.10 170.04 2kdg s GLN 337 N -3.91 1.17 -0.22 1.54 0.74 -1.26 -1.11 119.66 116.61 2kdg s GLN 337 Ca 0.26 -0.55 0.01 0.00 0.05 0.00 0.00 55.36 55.12 2kdg s GLN 337 Cb 0.00 -1.14 0.05 0.00 1.10 0.00 0.00 33.01 33.03 2kdg s GLN 337 CO 0.11 0.31 -0.07 -1.17 -0.55 0.00 0.00 175.29 173.92 2kdg s LEU 338 N -0.43 2.43 -0.97 3.68 2.96 -0.31 -0.93 118.68 125.10 2kdg s LEU 338 Ca 0.05 -1.05 -0.13 0.00 -0.22 0.00 0.00 54.13 52.78 2kdg s LEU 338 Cb -0.06 -1.18 0.22 0.00 0.50 0.00 0.00 46.19 45.67 2kdg s LEU 338 CO -0.00 -0.20 1.00 -0.62 -1.32 0.00 0.00 176.35 175.20 2kdg s ASP 339 N 1.41 6.96 -0.26 3.68 2.15 -0.08 -1.29 116.67 129.24 2kdg s ASP 339 Ca -0.04 -2.92 -0.29 0.00 0.43 0.00 0.00 52.55 49.73 2kdg s ASP 339 Cb -0.18 -2.26 -0.03 0.00 -0.30 0.00 0.00 42.92 40.16 2kdg s ASP 339 CO -0.07 -0.57 1.80 -0.69 -0.17 0.00 0.00 175.17 175.47 2kdg s VAL 340 N 0.22 3.46 -0.86 1.11 1.01 -1.26 -3.03 120.40 121.04 2kdg s VAL 340 Ca 0.27 0.49 -0.25 0.00 0.00 0.00 0.00 61.98 62.49 2kdg s VAL 340 Cb -0.08 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.76 2kdg s VAL 340 CO -0.08 -0.30 1.56 -0.76 0.00 0.00 0.00 175.10 175.52 2kdg s LEU 341 N 6.37 3.31 0.59 3.92 1.43 0.02 -4.82 118.68 129.50 2kdg s LEU 341 Ca 0.80 -0.77 -0.20 0.00 -1.03 0.00 0.00 54.13 52.93 2kdg s LEU 341 Cb -0.26 -2.56 -0.03 0.00 0.03 0.00 0.00 46.19 43.37 2kdg s LEU 341 CO 0.33 -1.97 1.33 0.00 0.23 0.00 0.00 176.35 176.27 2kdg s ALA 342 N 6.79 2.64 -0.02 4.21 0.00 -1.26 -1.25 121.76 132.86 2kdg s ALA 342 Ca 0.51 1.29 -0.24 0.00 0.00 0.00 0.00 51.96 53.52 2kdg s ALA 342 Cb -0.05 -3.56 -0.20 0.00 0.00 0.00 0.00 23.12 19.30 2kdg s ALA 342 CO 0.03 -1.47 1.18 -0.22 0.00 0.00 0.00 175.76 175.28 2kdg h LYS 343 N 1.08 0.18 0.00 0.00 3.64 -1.95 -3.46 116.57 116.06 2kdg h LYS 343 Ca -0.51 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 58.74 2kdg h LYS 343 Cb 1.32 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 2kdg h LYS 343 CO 0.55 0.76 0.00 0.39 -2.27 0.00 0.00 179.45 178.88