#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 3.15 1.02 4.61 0.00 -1.26 -5.03 121.76 124.25 2kdg s ALA -3 Ca 0.00 1.33 -0.12 0.00 0.00 0.00 0.00 51.96 53.17 2kdg s ALA -3 Cb 0.00 -3.54 0.20 0.00 0.00 0.00 0.00 23.12 19.79 2kdg s ALA -3 CO 0.00 -1.07 1.08 0.00 0.00 0.00 0.00 175.76 175.77 2kdg s MET -2 N -2.49 0.22 0.02 0.00 0.23 -1.26 -4.97 119.30 111.05 2kdg s MET -2 Ca 0.62 0.92 -0.28 0.00 -1.03 0.00 0.00 55.69 55.92 2kdg s MET -2 Cb -0.40 -1.68 0.10 0.00 -1.53 0.00 0.00 34.83 31.31 2kdg s MET -2 CO 0.51 -2.98 0.87 0.20 -2.03 0.00 0.00 175.02 171.58 2kdg s GLY -1 N -2.93 -0.46 0.87 3.16 0.00 0.02 -4.96 107.32 103.03 2kdg s GLY -1 Ca 0.66 0.91 -0.11 0.00 0.00 0.00 0.00 44.72 46.18 2kdg s GLY -1 CO 0.60 0.30 1.09 2.56 0.00 0.00 0.00 173.10 177.66 2kdg s PRO 249 N -3.19 1.43 0.53 2.90 0.04 -1.26 -2.41 135.00 133.03 2kdg s PRO 249 Ca 0.05 0.94 -0.21 0.00 0.04 0.00 0.00 61.00 61.82 2kdg s PRO 249 Cb -0.01 -1.82 -0.06 0.00 0.04 0.00 0.00 34.50 32.65 2kdg s PRO 249 CO -0.09 -2.16 1.19 -1.25 0.04 0.00 0.00 177.00 174.74 2kdg s PRO 250 N -4.90 3.36 -0.01 0.56 0.04 -1.26 -4.26 135.00 128.53 2kdg s PRO 250 Ca 0.63 1.81 0.01 0.00 0.04 0.00 0.00 61.00 63.48 2kdg s PRO 250 Cb -0.18 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 32.21 2kdg s PRO 250 CO 0.57 -0.89 -0.02 0.50 0.04 0.00 0.00 177.00 177.20 2kdg s ARG 251 N -3.05 0.22 -0.08 4.56 3.52 -0.04 -4.72 118.95 119.36 2kdg s ARG 251 Ca 0.71 -0.03 -0.29 0.00 -0.13 0.00 0.00 55.73 55.98 2kdg s ARG 251 Cb -0.29 -0.27 -0.06 0.00 -1.56 0.00 0.00 34.95 32.76 2kdg s ARG 251 CO 0.34 -0.01 1.87 -0.06 -0.81 0.00 0.00 175.30 176.64 2kdg s PHE 252 N 0.27 1.58 -0.12 5.12 0.40 -1.26 -1.87 117.98 122.10 2kdg s PHE 252 Ca -0.02 0.06 -0.09 0.00 -0.60 0.00 0.00 56.93 56.27 2kdg s PHE 252 Cb -0.05 -4.06 -0.06 0.00 0.51 0.00 0.00 43.02 39.36 2kdg s PHE 252 CO -0.01 -4.41 -0.21 -0.89 0.70 0.00 0.00 175.22 170.40 2kdg n ILE 253 N 6.09 1.10 -3.70 0.64 2.08 -0.97 -4.95 119.36 119.65 2kdg n ILE 253 Ca 0.21 -0.02 -0.14 0.00 0.56 0.00 0.00 62.75 63.36 2kdg n ILE 253 Cb 0.43 -1.85 -0.09 0.00 -0.75 0.00 0.00 39.64 37.38 2kdg n ILE 253 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 2kdg s GLN 254 N -2.40 0.62 0.10 0.38 0.74 -0.81 -4.98 119.66 113.31 2kdg s GLN 254 Ca -0.20 0.47 0.09 0.00 0.05 0.00 0.00 55.36 55.77 2kdg s GLN 254 Cb 0.06 0.30 -0.03 0.00 1.10 0.00 0.00 33.01 34.43 2kdg s GLN 254 CO 0.27 -0.11 -0.24 0.14 -0.55 0.00 0.00 175.29 174.80 2kdg s VAL 255 N -0.16 1.96 0.74 1.34 -7.23 -1.26 -1.07 120.40 114.72 2kdg s VAL 255 Ca -0.03 -1.55 -0.11 0.00 -1.81 0.00 0.00 61.98 58.47 2kdg s VAL 255 Cb -0.03 -1.74 0.03 0.00 0.56 0.00 0.00 36.38 35.21 2kdg s VAL 255 CO 0.02 0.09 1.09 -2.16 -0.31 0.00 0.00 175.10 173.83 2kdg s PRO 256 N -1.76 2.58 0.87 4.82 0.04 -1.25 -5.03 135.00 135.27 2kdg s PRO 256 Ca 0.10 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 61.65 2kdg s PRO 256 Cb -0.10 -1.98 0.12 0.00 0.04 0.00 0.00 34.50 32.58 2kdg s PRO 256 CO 0.04 -1.27 1.11 -1.21 0.04 0.00 0.00 177.00 175.71 2kdg s GLU 257 N -5.22 1.44 0.91 4.56 2.02 -1.26 -4.90 118.70 116.26 2kdg s GLU 257 Ca 0.59 0.58 -0.10 0.00 0.02 0.00 0.00 54.97 56.05 2kdg s GLU 257 Cb -0.13 -1.85 0.14 0.00 0.10 0.00 0.00 34.13 32.39 2kdg s GLU 257 CO 0.53 -2.05 1.13 0.54 0.02 0.00 0.00 175.26 175.43 2kdg s ASN 258 N -3.77 3.05 0.14 -0.19 2.20 -1.26 -4.81 114.94 110.31 2kdg s ASN 258 Ca 0.63 2.05 0.03 0.00 -0.94 0.00 0.00 52.86 54.63 2kdg s ASN 258 Cb -0.16 -2.53 -0.04 0.00 -2.00 0.00 0.00 41.25 36.52 2kdg s ASN 258 CO 0.55 -3.00 -0.06 -0.04 -2.94 0.00 0.00 177.10 171.61 2kdg s MET 259 N -4.69 1.02 -0.11 3.55 -1.94 -0.63 -4.99 119.30 111.51 2kdg s MET 259 Ca 0.66 -1.45 -0.03 0.00 -1.71 0.00 0.00 55.69 53.16 2kdg s MET 259 Cb -0.22 -0.42 0.04 0.00 2.01 0.00 0.00 34.83 36.24 2kdg s MET 259 CO 0.58 -0.01 0.05 -1.54 -0.01 0.00 0.00 175.02 174.09 2kdg s SER 260 N -3.14 1.88 -0.06 3.03 1.04 -1.26 -0.97 113.70 114.21 2kdg s SER 260 Ca 0.17 -0.30 0.04 0.00 0.48 0.00 0.00 55.95 56.34 2kdg s SER 260 Cb 0.04 -0.32 0.00 0.00 0.10 0.00 0.00 66.02 65.84 2kdg s SER 260 CO 0.00 -0.27 -0.19 -0.63 0.98 0.00 0.00 173.24 173.13 2kdg s ILE 261 N 2.06 1.58 0.14 -1.02 -1.09 -1.23 -4.90 121.20 116.75 2kdg s ILE 261 Ca 0.03 -0.77 -0.32 0.00 -2.23 0.00 0.00 60.65 57.36 2kdg s ILE 261 Cb -0.14 -1.37 -0.11 0.00 -1.58 0.00 0.00 42.46 39.25 2kdg s ILE 261 CO -0.06 0.45 1.80 -0.67 -1.23 0.00 0.00 174.94 175.24 2kdg n ASP 262 N 3.36 4.01 -4.64 3.58 2.03 -1.26 -0.70 116.55 122.92 2kdg n ASP 262 Ca -0.19 1.01 -0.52 0.00 0.52 0.00 0.00 54.79 55.61 2kdg n ASP 262 Cb 0.53 -1.55 -0.06 0.00 -0.72 0.00 0.00 41.12 39.32 2kdg n ASP 262 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2kdg n GLU 263 N 5.17 1.45 0.00 -0.67 2.13 -0.34 -2.52 120.64 125.87 2kdg n GLU 263 Ca 0.18 0.52 0.00 0.00 0.66 0.00 0.00 57.16 58.52 2kdg n GLU 263 Cb 0.36 -2.22 0.00 0.00 0.27 0.00 0.00 31.44 29.85 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 3.26 0.66 3.82 8.31 0.00 0.03 -4.83 105.19 116.45 2kdg n GLY 264 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.95 2.59 0.33 1.61 0.52 -1.05 -4.57 118.95 117.43 2kdg s ARG 265 Ca 0.00 0.77 -0.27 0.00 -0.52 0.00 0.00 55.73 55.72 2kdg s ARG 265 Cb 0.00 -1.96 -0.09 0.00 0.52 0.00 0.00 34.95 33.41 2kdg s ARG 265 CO 0.00 -1.30 1.02 0.12 0.02 0.00 0.00 175.30 175.16 2kdg s PHE 266 N -3.12 3.54 0.23 -0.53 2.19 -1.24 -1.69 117.98 117.35 2kdg s PHE 266 Ca 0.59 1.73 -0.12 0.00 0.33 0.00 0.00 56.93 59.46 2kdg s PHE 266 Cb -0.14 -3.10 -0.00 0.00 -1.31 0.00 0.00 43.02 38.46 2kdg s PHE 266 CO 0.54 -0.28 0.43 0.00 1.83 0.00 0.00 175.22 177.75 2kdg s ARG 268 N -4.01 1.26 0.13 0.00 1.70 -1.26 -0.83 118.95 115.94 2kdg s ARG 268 Ca 0.22 -1.45 0.04 0.00 -0.47 0.00 0.00 55.73 54.07 2kdg s ARG 268 Cb 0.00 0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 34.68 2kdg s ARG 268 CO 0.07 -0.45 -0.10 -1.64 -1.08 0.00 0.00 175.30 172.10 2kdg s MET 269 N -4.09 1.01 -0.36 3.89 -1.94 0.03 -5.00 119.30 112.85 2kdg s MET 269 Ca 0.30 -1.38 -0.00 0.00 -1.71 0.00 0.00 55.69 52.90 2kdg s MET 269 Cb 0.05 -0.61 0.13 0.00 2.01 0.00 0.00 34.83 36.40 2kdg s MET 269 CO 0.09 0.08 0.19 -0.51 -0.01 0.00 0.00 175.02 174.86 2kdg s ASP 270 N -2.99 3.36 -0.41 3.03 1.01 -1.26 -3.13 116.67 116.29 2kdg s ASP 270 Ca 0.14 -2.11 -0.08 0.00 0.71 0.00 0.00 52.55 51.21 2kdg s ASP 270 Cb 0.01 -0.62 0.09 0.00 1.01 0.00 0.00 42.92 43.41 2kdg s ASP 270 CO 0.00 -0.33 0.24 -0.36 0.21 0.00 0.00 175.17 174.93 2kdg s PHE 271 N 1.09 3.38 -0.17 4.23 0.40 -0.80 -3.84 117.98 122.27 2kdg s PHE 271 Ca 0.16 -1.73 -0.28 0.00 -0.60 0.00 0.00 56.93 54.47 2kdg s PHE 271 Cb -0.22 -2.98 -0.01 0.00 0.51 0.00 0.00 43.02 40.32 2kdg s PHE 271 CO -0.08 -0.88 0.95 0.15 0.70 0.00 0.00 175.22 176.07 2kdg s LYS 272 N 1.36 4.32 0.08 0.44 1.02 -0.23 -0.57 119.74 126.16 2kdg s LYS 272 Ca 0.03 1.24 0.05 0.00 0.02 0.00 0.00 55.97 57.31 2kdg s LYS 272 Cb -0.23 -3.59 -0.03 0.00 -0.52 0.00 0.00 37.83 33.46 2kdg s LYS 272 CO 0.01 -0.42 -0.13 0.54 -0.92 0.00 0.00 175.35 174.43 2kdg s VAL 273 N 2.45 1.06 0.37 3.17 0.11 -0.41 -1.93 120.40 125.22 2kdg s VAL 273 Ca 0.43 -1.41 0.04 0.00 -2.93 0.00 0.00 61.98 58.10 2kdg s VAL 273 Cb -0.17 -1.15 -0.03 0.00 -1.53 0.00 0.00 36.38 33.50 2kdg s VAL 273 CO 0.12 -0.33 0.12 -0.55 -3.33 0.00 0.00 175.10 171.13 2kdg s SER 274 N -1.97 2.41 0.00 3.54 0.15 -0.78 -4.49 113.70 112.56 2kdg s SER 274 Ca 0.00 -1.59 0.00 0.00 0.70 0.00 0.00 55.95 55.06 2kdg s SER 274 Cb -0.08 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 2kdg s SER 274 CO 0.02 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 174.20 2kdg n GLY 275 N -0.79 3.38 2.98 9.45 0.00 -1.26 -0.86 105.19 118.09 2kdg n GLY 275 Ca -0.04 -1.75 -0.14 0.00 0.00 0.00 0.00 46.02 44.10 2kdg n GLY 275 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kdg s LEU 276 N 0.00 -0.27 1.02 0.99 2.96 -1.01 -4.20 118.68 118.17 2kdg s LEU 276 Ca 0.00 0.54 -0.12 0.00 -0.22 0.00 0.00 54.13 54.33 2kdg s LEU 276 Cb 0.00 0.63 0.20 0.00 0.50 0.00 0.00 46.19 47.52 2kdg s LEU 276 CO 0.00 -0.24 1.09 -2.16 -1.32 0.00 0.00 176.35 173.71 2kdg s PRO 277 N 2.40 0.25 0.13 0.98 0.04 -1.26 -0.80 135.00 136.74 2kdg s PRO 277 Ca 0.02 0.55 -0.33 0.00 0.04 0.00 0.00 61.00 61.28 2kdg s PRO 277 Cb -0.12 -1.71 -0.13 0.00 0.04 0.00 0.00 34.50 32.58 2kdg s PRO 277 CO -0.08 -2.86 1.69 0.00 0.04 0.00 0.00 177.00 175.79 2kdg n ALA 278 N -4.27 1.70 -1.77 8.56 0.00 -1.26 -4.85 120.51 118.61 2kdg n ALA 278 Ca 0.05 0.39 -0.36 0.00 0.00 0.00 0.00 53.44 53.52 2kdg n ALA 278 Cb 0.57 -2.44 -0.00 0.00 0.00 0.00 0.00 19.45 17.57 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 1.71 3.54 0.35 0.00 0.04 -1.26 -4.91 135.00 134.47 2kdg s PRO 279 Ca 0.81 1.69 -0.27 0.00 0.04 0.00 0.00 61.00 63.26 2kdg s PRO 279 Cb -0.62 -2.19 -0.09 0.00 0.04 0.00 0.00 34.50 31.64 2kdg s PRO 279 CO 0.39 -0.71 1.17 0.34 0.04 0.00 0.00 177.00 178.23 2kdg s ASP 280 N -1.58 6.81 -0.03 6.66 2.15 0.06 -4.81 116.67 125.94 2kdg s ASP 280 Ca 0.69 2.39 0.05 0.00 0.43 0.00 0.00 52.55 56.10 2kdg s ASP 280 Cb -0.26 -2.62 -0.01 0.00 -0.30 0.00 0.00 42.92 39.73 2kdg s ASP 280 CO 0.31 -0.48 -0.16 0.68 -0.17 0.00 0.00 175.17 175.35 2kdg s VAL 281 N -1.29 1.33 -0.15 1.11 -7.23 -1.26 -1.32 120.40 111.59 2kdg s VAL 281 Ca 0.51 -0.69 -0.03 0.00 -1.81 0.00 0.00 61.98 59.96 2kdg s VAL 281 Cb -0.33 -1.12 0.05 0.00 0.56 0.00 0.00 36.38 35.54 2kdg s VAL 281 CO 0.42 0.38 0.06 -0.44 -0.31 0.00 0.00 175.10 175.21 2kdg s SER 282 N -0.16 2.29 0.37 4.85 0.01 -0.35 -5.02 113.70 115.69 2kdg s SER 282 Ca 0.01 -0.53 -0.12 0.00 1.31 0.00 0.00 55.95 56.62 2kdg s SER 282 Cb -0.09 -0.37 -0.07 0.00 0.21 0.00 0.00 66.02 65.69 2kdg s SER 282 CO 0.01 -0.30 0.76 0.26 0.41 0.00 0.00 173.24 174.37 2kdg s TRP 283 N 2.03 3.43 0.06 2.43 0.52 -1.26 -1.34 118.94 124.81 2kdg s TRP 283 Ca 0.02 1.13 -0.04 0.00 0.02 0.00 0.00 56.10 57.23 2kdg s TRP 283 Cb -0.15 -2.49 -0.02 0.00 -1.15 0.00 0.00 33.47 29.65 2kdg s TRP 283 CO -0.07 -0.03 0.05 0.71 0.02 0.00 0.00 176.95 177.62 2kdg s TYR 284 N -2.22 0.37 -0.13 -1.98 1.51 0.16 -0.98 117.35 114.09 2kdg s TYR 284 Ca 0.53 -0.84 -0.04 0.00 -1.01 0.00 0.00 57.07 55.71 2kdg s TYR 284 Cb -0.10 -0.26 0.06 0.00 -0.11 0.00 0.00 41.96 41.55 2kdg s TYR 284 CO 0.25 -0.41 0.21 -1.17 -1.11 0.00 0.00 175.55 173.32 2kdg s LEU 285 N -2.74 -0.17 -0.16 -1.29 2.96 0.01 -1.51 118.68 115.77 2kdg s LEU 285 Ca 0.04 0.31 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 2kdg s LEU 285 Cb 0.05 0.47 0.00 0.00 0.50 0.00 0.00 46.19 47.21 2kdg s LEU 285 CO -0.09 -0.26 0.00 0.59 -1.32 0.00 0.00 176.35 175.27 2kdg n ASN 286 N 5.33 -4.51 0.00 3.68 3.02 -0.41 -1.55 115.26 120.82 2kdg n ASN 286 Ca -0.05 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 2kdg n ASN 286 Cb 0.50 -2.87 0.00 0.00 -0.61 0.00 0.00 39.78 36.79 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 0.65 1.92 3.88 7.41 0.00 -1.26 -5.07 105.19 112.72 2kdg n GLY 287 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.24 3.69 0.70 1.61 0.52 -0.60 -5.10 118.95 119.54 2kdg s ARG 288 Ca 0.00 0.53 -0.13 0.00 -0.52 0.00 0.00 55.73 55.62 2kdg s ARG 288 Cb 0.00 -2.27 0.02 0.00 0.52 0.00 0.00 34.95 33.21 2kdg s ARG 288 CO 0.00 -0.25 1.08 0.95 0.02 0.00 0.00 175.30 177.11 2kdg s THR 289 N -2.71 3.55 -0.24 0.02 -4.23 -1.26 -0.81 115.64 109.96 2kdg s THR 289 Ca 0.52 0.59 -0.02 0.00 -1.18 0.00 0.00 61.69 61.60 2kdg s THR 289 Cb -0.10 -3.15 0.08 0.00 1.34 0.00 0.00 72.50 70.66 2kdg s THR 289 CO 0.41 -0.57 0.07 -0.69 -0.54 0.00 0.00 174.62 173.29 2kdg s VAL 290 N -2.72 0.52 0.67 2.29 1.01 -0.15 -4.65 120.40 117.36 2kdg s VAL 290 Ca 0.62 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.68 2kdg s VAL 290 Cb -0.17 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 2kdg s VAL 290 CO 0.49 -0.42 1.05 -1.10 0.00 0.00 0.00 175.10 175.12 2kdg s GLN 291 N 1.84 3.12 0.59 2.72 -1.52 -1.26 -4.03 119.66 121.11 2kdg s GLN 291 Ca 0.04 0.91 -0.18 0.00 -1.95 0.00 0.00 55.36 54.17 2kdg s GLN 291 Cb -0.17 -2.01 -0.04 0.00 -0.22 0.00 0.00 33.01 30.57 2kdg s GLN 291 CO -0.17 -0.95 1.17 -1.54 -0.25 0.00 0.00 175.29 173.55 2kdg s SER 292 N -3.86 5.30 0.19 5.90 1.04 -1.26 -4.98 113.70 116.03 2kdg s SER 292 Ca 0.57 2.27 -0.12 0.00 0.48 0.00 0.00 55.95 59.16 2kdg s SER 292 Cb -0.13 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.40 2kdg s SER 292 CO 0.54 -1.51 0.39 -0.62 0.98 0.00 0.00 173.24 173.02 2kdg s ASP 293 N -1.78 -0.07 0.37 7.02 2.15 -0.68 -4.97 116.67 118.69 2kdg s ASP 293 Ca 0.75 -0.77 0.09 0.00 0.43 0.00 0.00 52.55 53.05 2kdg s ASP 293 Cb -0.27 0.51 0.83 0.00 -0.30 0.00 0.00 42.92 43.69 2kdg s ASP 293 CO 0.33 -0.99 1.90 -0.78 -0.17 0.00 0.00 175.17 175.45 2kdg h ASP 294 N 2.38 0.62 1.09 -0.34 3.58 -2.01 -1.42 116.42 120.32 2kdg h ASP 294 Ca -0.30 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.18 2kdg h ASP 294 Cb 1.24 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.20 2kdg h ASP 294 CO 0.42 0.33 -0.29 0.18 -2.88 0.00 0.00 179.24 177.01 2kdg n LEU 295 N -4.53 0.64 -3.27 2.28 4.77 -1.26 -4.55 117.00 111.08 2kdg n LEU 295 Ca 0.15 0.38 -0.25 0.00 -0.03 0.00 0.00 56.01 56.26 2kdg n LEU 295 Cb 0.43 -0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 41.16 2kdg n LEU 295 CO 0.31 -0.08 -0.21 1.41 -1.33 0.00 0.00 177.39 177.49 2kdg n HIS 296 N -2.04 0.58 -2.37 -1.77 8.25 -0.55 -1.16 115.22 116.17 2kdg n HIS 296 Ca 0.05 -3.69 -0.39 0.00 -0.26 0.00 0.00 57.72 53.43 2kdg n HIS 296 Cb 0.41 -0.36 -0.03 0.00 1.12 0.00 0.00 29.99 31.13 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 -1.39 4.24 -0.27 -0.41 1.02 -1.14 -1.69 119.74 120.11 2kdg s LYS 297 Ca 0.36 1.80 -0.04 0.00 0.02 0.00 0.00 55.97 58.10 2kdg s LYS 297 Cb 0.15 -2.81 0.09 0.00 -0.52 0.00 0.00 37.83 34.75 2kdg s LYS 297 CO -0.10 -0.14 0.12 -1.64 -0.92 0.00 0.00 175.35 172.67 2kdg s MET 298 N -2.08 0.19 0.11 1.68 -1.94 -1.26 -2.05 119.30 113.95 2kdg s MET 298 Ca 0.53 -0.47 0.00 0.00 -1.71 0.00 0.00 55.69 54.05 2kdg s MET 298 Cb -0.30 -1.33 -0.04 0.00 2.01 0.00 0.00 34.83 35.17 2kdg s MET 298 CO 0.38 -0.95 -0.00 0.96 -0.01 0.00 0.00 175.02 175.40 2kdg s ILE 299 N 2.08 0.36 -0.07 2.53 -0.00 -1.13 -5.04 121.20 119.94 2kdg s ILE 299 Ca 0.08 -1.90 -0.02 0.00 -0.00 0.00 0.00 60.65 58.80 2kdg s ILE 299 Cb -0.16 -1.85 0.04 0.00 -0.00 0.00 0.00 42.46 40.48 2kdg s ILE 299 CO -0.31 -0.69 0.05 0.54 -0.00 0.00 0.00 174.94 174.54 2kdg s VAL 300 N -3.85 0.02 0.75 8.37 0.11 -1.26 -0.65 120.40 123.89 2kdg s VAL 300 Ca 0.17 0.24 -0.12 0.00 -2.93 0.00 0.00 61.98 59.35 2kdg s VAL 300 Cb 0.07 -0.33 0.05 0.00 -1.53 0.00 0.00 36.38 34.64 2kdg s VAL 300 CO -0.02 0.11 1.11 -0.44 -3.33 0.00 0.00 175.10 172.53 2kdg s SER 301 N 2.11 4.49 0.64 3.54 0.01 -0.60 -4.94 113.70 118.94 2kdg s SER 301 Ca 0.04 1.93 0.40 0.00 1.31 0.00 0.00 55.95 59.63 2kdg s SER 301 Cb -0.13 -2.54 2.18 0.00 0.21 0.00 0.00 66.02 65.74 2kdg s SER 301 CO -0.05 -2.05 2.30 1.05 0.41 0.00 0.00 173.24 174.91 2kdg h GLU 302 N -0.86 0.00 0.00 12.44 4.11 -2.02 -0.90 114.58 127.35 2kdg h GLU 302 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 2kdg h GLU 302 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2kdg h GLU 302 CO 0.51 0.01 0.00 1.63 0.07 0.00 0.00 179.01 181.23 2kdg n LYS 303 N -3.26 0.39 -0.35 1.06 4.01 -1.26 -4.93 118.16 113.83 2kdg n LYS 303 Ca -0.03 0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.81 2kdg n LYS 303 Cb 0.10 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.12 2kdg n LYS 303 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2kdg n GLY 304 N 0.90 0.73 3.56 0.72 0.00 -0.34 -4.91 105.19 105.83 2kdg n GLY 304 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 3.27 -0.38 0.99 2.96 -1.25 -1.28 118.68 122.99 2kdg s LEU 305 Ca 0.00 -0.09 -0.29 0.00 -0.22 0.00 0.00 54.13 53.53 2kdg s LEU 305 Cb 0.00 -2.73 0.02 0.00 0.50 0.00 0.00 46.19 43.98 2kdg s LEU 305 CO 0.00 -1.86 1.16 -2.28 -1.32 0.00 0.00 176.35 172.05 2kdg s HIS 306 N 6.29 2.90 0.14 5.38 5.65 0.26 -1.56 115.29 134.35 2kdg s HIS 306 Ca 0.45 0.94 -0.24 0.00 0.25 0.00 0.00 55.06 56.46 2kdg s HIS 306 Cb -0.09 -4.03 -0.08 0.00 -1.18 0.00 0.00 32.58 27.20 2kdg s HIS 306 CO 0.19 -1.19 0.74 -1.12 -0.65 0.00 0.00 174.74 172.72 2kdg s SER 307 N 2.28 7.32 -0.09 9.88 0.01 0.17 -1.90 113.70 131.37 2kdg s SER 307 Ca 0.49 1.57 -0.00 0.00 1.31 0.00 0.00 55.95 59.31 2kdg s SER 307 Cb -0.11 -2.47 0.02 0.00 0.21 0.00 0.00 66.02 63.67 2kdg s SER 307 CO 0.24 0.20 -0.05 -0.22 0.41 0.00 0.00 173.24 173.82 2kdg s LEU 308 N -1.03 1.01 0.15 2.44 1.98 -1.18 -2.82 118.68 119.23 2kdg s LEU 308 Ca 0.35 -0.21 0.10 0.00 -2.89 0.00 0.00 54.13 51.48 2kdg s LEU 308 Cb -0.22 -0.67 -0.04 0.00 0.66 0.00 0.00 46.19 45.91 2kdg s LEU 308 CO 0.25 -0.13 -0.23 -0.63 -1.89 0.00 0.00 176.35 173.72 2kdg s ILE 309 N 1.69 2.08 -0.22 6.68 1.01 -0.87 -0.79 121.20 130.78 2kdg s ILE 309 Ca 0.03 -1.84 -0.01 0.00 0.00 0.00 0.00 60.65 58.83 2kdg s ILE 309 Cb -0.13 -1.91 0.06 0.00 0.01 0.00 0.00 42.46 40.49 2kdg s ILE 309 CO -0.06 -0.10 -0.01 -0.36 0.00 0.00 0.00 174.94 174.41 2kdg s PHE 310 N -1.50 1.83 0.18 3.97 0.40 -0.01 -3.61 117.98 119.23 2kdg s PHE 310 Ca 0.15 -1.39 -0.09 0.00 -0.60 0.00 0.00 56.93 55.00 2kdg s PHE 310 Cb -0.08 -1.36 0.06 0.00 0.51 0.00 0.00 43.02 42.15 2kdg s PHE 310 CO 0.07 -0.71 1.64 0.93 0.70 0.00 0.00 175.22 177.85 2kdg h GLU 311 N 8.07 1.07 -1.78 0.44 4.39 -1.40 -1.63 114.58 123.73 2kdg h GLU 311 Ca -0.17 -0.34 -0.33 0.00 0.34 0.00 0.00 59.36 58.87 2kdg h GLU 311 Cb 1.09 -0.10 -0.29 0.00 -0.10 0.00 0.00 28.75 29.35 2kdg h GLU 311 CO 0.38 1.04 -0.66 0.54 -1.16 0.00 0.00 179.01 179.15 2kdg s VAL 312 N -5.04 -0.42 0.33 3.13 0.11 -1.25 -3.65 120.40 113.61 2kdg s VAL 312 Ca -0.12 -0.96 -0.29 0.00 -2.93 0.00 0.00 61.98 57.69 2kdg s VAL 312 Cb 0.13 -0.56 -0.10 0.00 -1.53 0.00 0.00 36.38 34.32 2kdg s VAL 312 CO 0.86 -0.51 1.26 0.54 -3.33 0.00 0.00 175.10 173.91 2kdg s VAL 313 N 1.36 2.89 0.23 2.04 0.11 -0.68 -4.84 120.40 121.50 2kdg s VAL 313 Ca 0.19 0.88 0.09 0.00 -2.93 0.00 0.00 61.98 60.21 2kdg s VAL 313 Cb -0.12 -3.56 -0.05 0.00 -1.53 0.00 0.00 36.38 31.12 2kdg s VAL 313 CO -0.04 0.20 -0.15 -0.13 -3.33 0.00 0.00 175.10 171.66 2kdg s ARG 314 N -1.76 1.45 0.42 1.54 1.81 -1.26 -0.79 118.95 120.35 2kdg s ARG 314 Ca 0.49 -1.66 0.14 0.00 -1.72 0.00 0.00 55.73 52.98 2kdg s ARG 314 Cb -0.38 -1.29 1.01 0.00 -0.45 0.00 0.00 34.95 33.85 2kdg s ARG 314 CO 0.50 0.20 1.94 0.00 -0.68 0.00 0.00 175.30 177.26 2kdg h ALA 315 N 2.45 2.04 0.00 2.13 0.00 -1.95 -0.53 119.26 123.41 2kdg h ALA 315 Ca -0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2kdg h ALA 315 Cb 1.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2kdg h ALA 315 CO 0.62 -0.22 0.00 0.77 0.00 0.00 0.00 179.25 180.42 2kdg h SER 316 N 0.45 0.00 0.62 0.00 0.02 -1.97 -2.80 113.55 109.87 2kdg h SER 316 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 2kdg h SER 316 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 2kdg h SER 316 CO -0.11 0.00 -0.03 0.47 -1.14 0.00 0.00 176.83 176.02 2kdg n ASP 317 N -2.68 0.08 -4.76 3.07 8.00 -0.21 -4.91 116.55 115.15 2kdg n ASP 317 Ca -0.00 -0.09 -0.37 0.00 0.71 0.00 0.00 54.79 55.04 2kdg n ASP 317 Cb 0.16 -0.28 0.03 0.00 -0.02 0.00 0.00 41.12 41.01 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 -2.65 2.69 0.00 2.24 0.00 -1.06 -4.91 121.76 118.06 2kdg s ALA 318 Ca 0.25 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.29 2kdg s ALA 318 Cb 0.20 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.85 2kdg s ALA 318 CO 0.48 -1.13 0.00 0.41 0.00 0.00 0.00 175.76 175.53 2kdg n GLY 319 N 0.56 1.01 3.56 0.00 0.00 -0.30 -5.00 105.19 105.01 2kdg n GLY 319 Ca 0.12 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.01 3.19 0.35 4.61 0.00 -1.26 -1.33 121.76 126.32 2kdg s ALA 320 Ca 0.00 -0.89 -0.13 0.00 0.00 0.00 0.00 51.96 50.94 2kdg s ALA 320 Cb 0.00 -3.71 -0.08 0.00 0.00 0.00 0.00 23.12 19.34 2kdg s ALA 320 CO 0.00 -2.20 0.74 0.71 0.00 0.00 0.00 175.76 175.02 2kdg s TYR 321 N 3.92 3.41 0.08 0.00 1.51 -0.15 -1.29 117.35 124.83 2kdg s TYR 321 Ca 0.36 1.13 -0.04 0.00 -1.01 0.00 0.00 57.07 57.51 2kdg s TYR 321 Cb -0.10 -2.49 -0.02 0.00 -0.11 0.00 0.00 41.96 39.23 2kdg s TYR 321 CO 0.25 0.02 0.07 0.00 -1.11 0.00 0.00 175.55 174.78 2kdg s ALA 322 N -2.14 0.24 -0.21 3.71 0.00 -0.57 -1.52 121.76 121.27 2kdg s ALA 322 Ca 0.53 -0.99 -0.04 0.00 0.00 0.00 0.00 51.96 51.46 2kdg s ALA 322 Cb -0.10 0.43 0.07 0.00 0.00 0.00 0.00 23.12 23.51 2kdg s ALA 322 CO 0.23 -0.44 0.08 0.00 0.00 0.00 0.00 175.76 175.63 2kdg s VAL 324 N 2.00 4.12 -0.11 0.00 1.01 -0.45 -1.18 120.40 125.79 2kdg s VAL 324 Ca 0.03 1.66 0.00 0.00 0.00 0.00 0.00 61.98 63.67 2kdg s VAL 324 Cb -0.16 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 32.18 2kdg s VAL 324 CO -0.15 0.21 -0.10 0.00 0.00 0.00 0.00 175.10 175.06 2kdg s ALA 325 N 0.40 1.43 -0.01 5.51 0.00 0.02 -1.21 121.76 127.90 2kdg s ALA 325 Ca 0.53 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.91 2kdg s ALA 325 Cb -0.28 -0.88 -0.00 0.00 0.00 0.00 0.00 23.12 21.96 2kdg s ALA 325 CO 0.32 -0.31 -0.07 0.15 0.00 0.00 0.00 175.76 175.84 2kdg s LYS 326 N 1.47 0.60 0.33 0.00 1.02 -0.43 -0.93 119.74 121.81 2kdg s LYS 326 Ca 0.01 -0.25 0.05 0.00 0.02 0.00 0.00 55.97 55.80 2kdg s LYS 326 Cb -0.13 -0.58 -0.02 0.00 -0.52 0.00 0.00 37.83 36.58 2kdg s LYS 326 CO -0.07 0.14 0.17 0.27 -0.92 0.00 0.00 175.35 174.94 2kdg n ASN 327 N 2.96 0.59 0.00 2.83 0.23 -0.68 -0.76 115.26 120.43 2kdg n ASN 327 Ca -0.14 -2.89 0.01 0.00 -0.53 0.00 0.00 54.58 51.04 2kdg n ASN 327 Cb 0.57 1.08 0.07 0.00 -2.08 0.00 0.00 39.78 39.42 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 -0.71 0.02 -0.00 -3.83 1.85 -1.26 -2.91 116.66 109.82 2kdg n ARG 328 Ca -0.01 0.35 0.01 0.00 -1.00 0.00 0.00 57.85 57.20 2kdg n ARG 328 Cb 0.53 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.42 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 -1.39 2.26 0.00 2.89 0.00 -1.26 -5.09 120.51 117.92 2kdg n ALA 329 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2kdg n ALA 329 Cb 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.39 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 1.41 -1.47 2.96 0.00 0.00 -1.14 -4.36 105.19 102.58 2kdg n GLY 330 Ca 0.00 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.19 0.32 0.11 1.61 2.12 -1.26 -1.69 118.70 118.72 2kdg s GLU 331 Ca 0.00 -0.35 -0.00 0.00 0.36 0.00 0.00 54.97 54.98 2kdg s GLU 331 Cb 0.00 -0.18 -0.04 0.00 0.26 0.00 0.00 34.13 34.17 2kdg s GLU 331 CO 0.00 0.04 0.01 0.00 -0.54 0.00 0.00 175.26 174.76 2kdg s ALA 332 N -0.64 0.85 -0.06 6.30 0.00 -0.10 -4.83 121.76 123.28 2kdg s ALA 332 Ca -0.05 -1.40 -0.02 0.00 0.00 0.00 0.00 51.96 50.49 2kdg s ALA 332 Cb -0.05 0.55 0.04 0.00 0.00 0.00 0.00 23.12 23.66 2kdg s ALA 332 CO -0.00 -0.39 0.11 0.99 0.00 0.00 0.00 175.76 176.46 2kdg s THR 333 N -3.89 -0.13 0.15 0.00 2.01 -1.26 -0.80 115.64 111.72 2kdg s THR 333 Ca 0.18 0.30 0.05 0.00 0.31 0.00 0.00 61.69 62.52 2kdg s THR 333 Cb 0.07 -0.21 -0.04 0.00 0.01 0.00 0.00 72.50 72.34 2kdg s THR 333 CO -0.02 0.13 0.14 -0.36 -0.69 0.00 0.00 174.62 173.82 2kdg s PHE 334 N 1.75 3.18 -0.02 4.92 0.08 -0.32 -4.95 117.98 122.61 2kdg s PHE 334 Ca -0.02 0.01 -0.06 0.00 0.12 0.00 0.00 56.93 56.98 2kdg s PHE 334 Cb -0.12 -1.54 0.01 0.00 -0.57 0.00 0.00 43.02 40.80 2kdg s PHE 334 CO -0.05 0.52 0.13 0.99 -0.10 0.00 0.00 175.22 176.71 2kdg s THR 335 N -1.71 0.04 0.28 0.64 2.01 -1.26 -0.84 115.64 114.80 2kdg s THR 335 Ca 0.31 -0.37 -0.14 0.00 0.31 0.00 0.00 61.69 61.80 2kdg s THR 335 Cb -0.10 -0.31 0.01 0.00 0.01 0.00 0.00 72.50 72.10 2kdg s THR 335 CO 0.24 -0.20 0.56 0.54 -0.69 0.00 0.00 174.62 175.07 2kdg s VAL 336 N -0.68 0.00 0.05 3.82 0.11 -0.57 -4.88 120.40 118.24 2kdg s VAL 336 Ca -0.08 -1.29 0.04 0.00 -2.93 0.00 0.00 61.98 57.72 2kdg s VAL 336 Cb -0.05 -2.26 -0.02 0.00 -1.53 0.00 0.00 36.38 32.52 2kdg s VAL 336 CO 0.01 0.00 -0.12 -1.58 -3.33 0.00 0.00 175.10 170.07 2kdg s GLN 337 N -3.74 0.77 -0.13 1.54 0.74 -1.26 -0.97 119.66 116.60 2kdg s GLN 337 Ca 0.20 -0.80 -0.01 0.00 0.05 0.00 0.00 55.36 54.80 2kdg s GLN 337 Cb -0.02 -0.73 0.04 0.00 1.10 0.00 0.00 33.01 33.39 2kdg s GLN 337 CO 0.10 0.17 -0.04 -1.17 -0.55 0.00 0.00 175.29 173.80 2kdg s LEU 338 N -1.39 1.23 -0.98 3.68 2.96 -0.44 -1.60 118.68 122.13 2kdg s LEU 338 Ca -0.02 -0.46 -0.04 0.00 -0.22 0.00 0.00 54.13 53.40 2kdg s LEU 338 Cb -0.09 -0.76 0.26 0.00 0.50 0.00 0.00 46.19 46.10 2kdg s LEU 338 CO 0.01 -0.18 1.00 -0.67 -1.32 0.00 0.00 176.35 175.19 2kdg n ASP 339 N 4.97 4.94 -4.61 3.68 2.03 -0.15 -1.15 116.55 126.26 2kdg n ASP 339 Ca -0.11 -3.17 -0.44 0.00 0.52 0.00 0.00 54.79 51.59 2kdg n ASP 339 Cb 0.49 -1.16 -0.04 0.00 -0.72 0.00 0.00 41.12 39.69 2kdg n ASP 339 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2kdg n VAL 340 N 2.14 0.49 -2.36 5.18 0.31 -1.26 -3.48 118.33 119.34 2kdg n VAL 340 Ca 0.24 -0.30 -0.40 0.00 -0.01 0.00 0.00 64.34 63.87 2kdg n VAL 340 Cb 0.37 -2.31 -0.03 0.00 -0.91 0.00 0.00 33.84 30.96 2kdg n VAL 340 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2kdg s LEU 341 N 6.54 3.21 0.66 7.52 1.43 0.13 -4.86 118.68 133.31 2kdg s LEU 341 Ca 0.97 -0.20 -0.18 0.00 -1.03 0.00 0.00 54.13 53.69 2kdg s LEU 341 Cb -0.47 -2.55 -0.01 0.00 0.03 0.00 0.00 46.19 43.20 2kdg s LEU 341 CO 0.41 -2.04 1.29 0.00 0.23 0.00 0.00 176.35 176.24 2kdg s ALA 342 N 6.96 2.35 -1.05 4.21 0.00 -1.26 -1.20 121.76 131.77 2kdg s ALA 342 Ca 0.47 1.19 0.25 0.00 0.00 0.00 0.00 51.96 53.87 2kdg s ALA 342 Cb -0.09 -3.55 1.10 0.00 0.00 0.00 0.00 23.12 20.58 2kdg s ALA 342 CO 0.16 -1.62 1.81 0.36 0.00 0.00 0.00 175.76 176.47 2kdg n LYS 343 N -1.98 0.05 0.00 0.00 2.85 -1.26 -4.83 118.16 112.99 2kdg n LYS 343 Ca 0.16 0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.48 2kdg n LYS 343 Cb 0.48 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.36 2kdg n LYS 343 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74