#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 0.71 0.34 4.61 0.00 -1.26 -5.11 121.76 121.06 2kdg s ALA -3 Ca 0.00 -0.15 0.06 0.00 0.00 0.00 0.00 51.96 51.88 2kdg s ALA -3 Cb 0.00 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 2kdg s ALA -3 CO 0.00 -3.01 0.32 0.00 0.00 0.00 0.00 175.76 173.07 2kdg s MET -2 N -4.78 1.82 0.00 0.00 0.23 -1.26 -5.04 119.30 110.27 2kdg s MET -2 Ca 0.66 -2.01 0.00 0.00 -1.03 0.00 0.00 55.69 53.31 2kdg s MET -2 Cb -0.21 0.35 0.00 0.00 -1.53 0.00 0.00 34.83 33.44 2kdg s MET -2 CO 0.60 -0.69 0.00 0.41 -2.03 0.00 0.00 175.02 173.30 2kdg n GLY -1 N -0.64 0.25 3.76 3.16 0.00 -0.49 -4.94 105.19 106.30 2kdg n GLY -1 Ca 0.07 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 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 2.03 0.46 1.61 0.04 -1.26 -1.08 135.00 134.80 2kdg s PRO 249 Ca 0.00 1.08 -0.24 0.00 0.04 0.00 0.00 61.00 61.89 2kdg s PRO 249 Cb 0.00 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.59 2kdg s PRO 249 CO 0.00 -1.78 1.27 -1.25 0.04 0.00 0.00 177.00 175.28 2kdg s PRO 250 N -4.91 3.67 0.03 0.56 0.04 -1.26 -4.18 135.00 128.95 2kdg s PRO 250 Ca 0.62 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.71 2kdg s PRO 250 Cb -0.17 -2.50 -0.02 0.00 0.04 0.00 0.00 34.50 31.85 2kdg s PRO 250 CO 0.56 -0.70 -0.07 0.50 0.04 0.00 0.00 177.00 177.33 2kdg s ARG 251 N -2.58 0.49 -0.23 4.56 3.52 -0.52 -4.53 118.95 119.65 2kdg s ARG 251 Ca 0.63 -0.62 -0.28 0.00 -0.13 0.00 0.00 55.73 55.33 2kdg s ARG 251 Cb -0.35 -0.29 -0.05 0.00 -1.56 0.00 0.00 34.95 32.70 2kdg s ARG 251 CO 0.43 0.06 2.16 -0.06 -0.81 0.00 0.00 175.30 177.08 2kdg s PHE 252 N -1.11 1.25 -0.06 5.12 0.40 -1.26 -3.13 117.98 119.19 2kdg s PHE 252 Ca -0.08 0.55 -0.08 0.00 -0.60 0.00 0.00 56.93 56.73 2kdg s PHE 252 Cb -0.08 -3.95 -0.03 0.00 0.51 0.00 0.00 43.02 39.47 2kdg s PHE 252 CO 0.00 -3.93 -0.16 -0.89 0.70 0.00 0.00 175.22 170.95 2kdg n ILE 253 N 7.71 0.89 -3.28 0.64 2.08 -1.17 -5.00 119.36 121.22 2kdg n ILE 253 Ca 0.29 0.27 -0.07 0.00 0.56 0.00 0.00 62.75 63.80 2kdg n ILE 253 Cb 0.45 -1.85 -0.05 0.00 -0.75 0.00 0.00 39.64 37.44 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 -2.03 0.43 0.52 0.38 0.74 -1.10 -5.01 119.66 113.58 2kdg s GLN 254 Ca -0.13 0.28 -0.20 0.00 0.05 0.00 0.00 55.36 55.36 2kdg s GLN 254 Cb 0.02 -0.22 -0.07 0.00 1.10 0.00 0.00 33.01 33.84 2kdg s GLN 254 CO 0.19 -0.96 1.09 0.14 -0.55 0.00 0.00 175.29 175.19 2kdg s VAL 255 N 2.59 3.47 0.71 1.34 -7.23 -1.26 -1.13 120.40 118.89 2kdg s VAL 255 Ca 0.11 0.91 -0.11 0.00 -1.81 0.00 0.00 61.98 61.08 2kdg s VAL 255 Cb -0.13 -3.37 0.01 0.00 0.56 0.00 0.00 36.38 33.46 2kdg s VAL 255 CO -0.27 -0.20 1.06 -2.16 -0.31 0.00 0.00 175.10 173.22 2kdg s PRO 256 N -3.27 2.86 0.87 4.82 0.04 -1.24 -4.98 135.00 134.10 2kdg s PRO 256 Ca 0.70 0.86 -0.12 0.00 0.04 0.00 0.00 61.00 62.48 2kdg s PRO 256 Cb -0.20 -1.99 0.11 0.00 0.04 0.00 0.00 34.50 32.46 2kdg s PRO 256 CO 0.24 -1.13 1.11 -1.21 0.04 0.00 0.00 177.00 176.04 2kdg s GLU 257 N -5.09 1.47 0.83 4.56 2.02 -1.26 -4.87 118.70 116.37 2kdg s GLU 257 Ca 0.58 0.58 -0.12 0.00 0.02 0.00 0.00 54.97 56.03 2kdg s GLU 257 Cb -0.14 -1.85 0.10 0.00 0.10 0.00 0.00 34.13 32.34 2kdg s GLU 257 CO 0.55 -2.03 1.17 0.54 0.02 0.00 0.00 175.26 175.50 2kdg s ASN 258 N -3.77 3.54 0.09 -0.19 4.22 -1.26 -4.80 114.94 112.76 2kdg s ASN 258 Ca 0.63 2.22 0.04 0.00 -2.14 0.00 0.00 52.86 53.61 2kdg s ASN 258 Cb -0.16 -2.57 -0.03 0.00 1.28 0.00 0.00 41.25 39.77 2kdg s ASN 258 CO 0.55 -2.69 -0.11 -0.04 -2.04 0.00 0.00 177.10 172.77 2kdg s MET 259 N -4.40 0.81 -0.28 3.55 -1.94 -0.16 -5.00 119.30 111.87 2kdg s MET 259 Ca 0.69 -1.07 -0.01 0.00 -1.71 0.00 0.00 55.69 53.60 2kdg s MET 259 Cb -0.25 -0.60 0.13 0.00 2.01 0.00 0.00 34.83 36.13 2kdg s MET 259 CO 0.53 0.11 0.30 -1.54 -0.01 0.00 0.00 175.02 174.40 2kdg s SER 260 N -2.18 1.59 -0.04 3.03 1.04 -1.26 -0.97 113.70 114.91 2kdg s SER 260 Ca 0.02 -0.69 0.06 0.00 0.48 0.00 0.00 55.95 55.82 2kdg s SER 260 Cb -0.06 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.57 2kdg s SER 260 CO 0.01 -0.38 -0.20 -0.63 0.98 0.00 0.00 173.24 173.01 2kdg s ILE 261 N 2.37 2.51 0.17 -1.02 -1.09 -0.85 -4.92 121.20 118.37 2kdg s ILE 261 Ca 0.09 -0.93 -0.31 0.00 -2.23 0.00 0.00 60.65 57.28 2kdg s ILE 261 Cb -0.14 -1.94 -0.09 0.00 -1.58 0.00 0.00 42.46 38.72 2kdg s ILE 261 CO -0.31 0.58 1.41 -0.62 -1.23 0.00 0.00 174.94 174.77 2kdg s ASP 262 N -0.56 6.77 -0.11 3.58 2.15 -1.26 -0.63 116.67 126.61 2kdg s ASP 262 Ca 0.08 2.46 -0.34 0.00 0.43 0.00 0.00 52.55 55.17 2kdg s ASP 262 Cb -0.11 -2.60 -0.12 0.00 -0.30 0.00 0.00 42.92 39.79 2kdg s ASP 262 CO 0.00 -0.66 1.89 1.21 -0.17 0.00 0.00 175.17 177.45 2kdg n GLU 263 N 3.28 2.08 0.00 4.34 0.00 -0.36 -2.46 120.64 127.52 2kdg n GLU 263 Ca 0.09 0.76 0.00 0.00 0.00 0.00 0.00 57.16 58.01 2kdg n GLU 263 Cb 0.41 -2.62 0.00 0.00 0.00 0.00 0.00 31.44 29.23 2kdg n GLU 263 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kdg n GLY 264 N 4.50 0.82 3.80 8.31 0.00 0.30 -4.70 105.19 118.23 2kdg n GLY 264 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.57 2.39 0.44 1.61 0.52 -1.03 -4.57 118.95 117.73 2kdg s ARG 265 Ca 0.00 0.84 -0.23 0.00 -0.52 0.00 0.00 55.73 55.82 2kdg s ARG 265 Cb 0.00 -1.94 -0.08 0.00 0.52 0.00 0.00 34.95 33.45 2kdg s ARG 265 CO 0.00 -1.46 1.07 0.12 0.02 0.00 0.00 175.30 175.05 2kdg s PHE 266 N -3.06 3.11 0.30 -0.53 2.19 -1.25 -1.87 117.98 116.86 2kdg s PHE 266 Ca 0.60 1.60 -0.12 0.00 0.33 0.00 0.00 56.93 59.34 2kdg s PHE 266 Cb -0.15 -3.16 0.01 0.00 -1.31 0.00 0.00 43.02 38.41 2kdg s PHE 266 CO 0.55 -0.87 0.57 0.00 1.83 0.00 0.00 175.22 177.30 2kdg s ARG 268 N -3.50 1.28 0.24 0.00 1.70 -1.26 -0.68 118.95 116.72 2kdg s ARG 268 Ca 0.21 -1.21 0.11 0.00 -0.47 0.00 0.00 55.73 54.37 2kdg s ARG 268 Cb -0.02 0.40 -0.05 0.00 -0.57 0.00 0.00 34.95 34.71 2kdg s ARG 268 CO 0.11 -0.49 -0.17 -1.64 -1.08 0.00 0.00 175.30 172.04 2kdg s MET 269 N -3.99 1.78 -0.32 3.89 -1.94 -0.04 -5.00 119.30 113.68 2kdg s MET 269 Ca 0.20 -1.57 -0.02 0.00 -1.71 0.00 0.00 55.69 52.59 2kdg s MET 269 Cb 0.02 -1.91 0.12 0.00 2.01 0.00 0.00 34.83 35.08 2kdg s MET 269 CO 0.03 0.37 0.17 -0.51 -0.01 0.00 0.00 175.02 175.07 2kdg s ASP 270 N -3.18 3.25 -0.40 3.03 1.01 -1.26 -3.60 116.67 115.52 2kdg s ASP 270 Ca 0.27 -1.73 -0.03 0.00 0.71 0.00 0.00 52.55 51.76 2kdg s ASP 270 Cb -0.07 -0.37 0.11 0.00 1.01 0.00 0.00 42.92 43.60 2kdg s ASP 270 CO 0.14 -0.37 0.19 -0.36 0.21 0.00 0.00 175.17 174.98 2kdg s PHE 271 N 1.59 3.57 0.05 4.23 0.40 -0.83 -3.71 117.98 123.27 2kdg s PHE 271 Ca 0.13 -2.37 -0.31 0.00 -0.60 0.00 0.00 56.93 53.79 2kdg s PHE 271 Cb -0.19 -3.15 -0.06 0.00 0.51 0.00 0.00 43.02 40.13 2kdg s PHE 271 CO -0.18 -0.96 1.24 0.15 0.70 0.00 0.00 175.22 176.17 2kdg s LYS 272 N 1.15 4.39 -0.10 0.44 1.02 -0.28 -0.90 119.74 125.47 2kdg s LYS 272 Ca 0.07 1.81 -0.08 0.00 0.02 0.00 0.00 55.97 57.79 2kdg s LYS 272 Cb -0.23 -3.38 0.03 0.00 -0.52 0.00 0.00 37.83 33.73 2kdg s LYS 272 CO -0.04 -0.33 0.25 0.54 -0.92 0.00 0.00 175.35 174.85 2kdg s VAL 273 N 1.33 -0.01 -0.10 3.17 0.11 -0.48 -2.73 120.40 121.70 2kdg s VAL 273 Ca 0.60 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.68 2kdg s VAL 273 Cb -0.30 -0.36 0.01 0.00 -1.53 0.00 0.00 36.38 34.20 2kdg s VAL 273 CO 0.28 0.01 -0.15 -0.44 -3.33 0.00 0.00 175.10 171.47 2kdg s SER 274 N 0.30 2.35 0.04 3.54 0.01 -1.18 -4.45 113.70 114.31 2kdg s SER 274 Ca -0.01 -0.41 -0.29 0.00 1.31 0.00 0.00 55.95 56.55 2kdg s SER 274 Cb -0.03 -1.06 0.10 0.00 0.21 0.00 0.00 66.02 65.25 2kdg s SER 274 CO -0.01 0.02 1.15 -0.83 0.41 0.00 0.00 173.24 173.98 2kdg s GLY 275 N 0.91 -0.34 -0.10 3.44 0.00 -1.26 -1.44 107.32 108.52 2kdg s GLY 275 Ca -0.08 0.55 -0.06 0.00 0.00 0.00 0.00 44.72 45.13 2kdg s GLY 275 CO -0.00 0.11 0.25 -2.27 0.00 0.00 0.00 173.10 171.19 2kdg s LEU 276 N -2.90 0.49 1.07 0.66 2.96 -0.24 -4.39 118.68 116.33 2kdg s LEU 276 Ca 0.13 0.53 -0.13 0.00 -0.22 0.00 0.00 54.13 54.44 2kdg s LEU 276 Cb 0.02 0.76 0.23 0.00 0.50 0.00 0.00 46.19 47.70 2kdg s LEU 276 CO -0.02 -0.16 1.07 -2.16 -1.32 0.00 0.00 176.35 173.76 2kdg s PRO 277 N 1.11 -0.14 -0.07 0.98 0.04 -1.26 -1.39 135.00 134.27 2kdg s PRO 277 Ca -0.08 0.59 -0.34 0.00 0.04 0.00 0.00 61.00 61.21 2kdg s PRO 277 Cb -0.09 -1.66 -0.12 0.00 0.04 0.00 0.00 34.50 32.67 2kdg s PRO 277 CO -0.07 -3.13 1.86 0.00 0.04 0.00 0.00 177.00 175.70 2kdg n ALA 278 N -4.47 0.92 -1.34 8.56 0.00 -1.26 -4.83 120.51 118.09 2kdg n ALA 278 Ca 0.04 0.29 -0.31 0.00 0.00 0.00 0.00 53.44 53.47 2kdg n ALA 278 Cb 0.56 -2.49 0.09 0.00 0.00 0.00 0.00 19.45 17.61 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 3.87 2.18 0.94 0.00 0.04 -1.26 -4.91 135.00 135.87 2kdg s PRO 279 Ca 0.92 1.00 -0.11 0.00 0.04 0.00 0.00 61.00 62.85 2kdg s PRO 279 Cb -0.69 -1.90 0.16 0.00 0.04 0.00 0.00 34.50 32.11 2kdg s PRO 279 CO 0.51 -1.65 1.10 0.34 0.04 0.00 0.00 177.00 177.34 2kdg s ASP 280 N -3.54 2.83 -0.11 6.66 2.15 -0.08 -4.83 116.67 119.76 2kdg s ASP 280 Ca 0.61 1.85 -0.03 0.00 0.43 0.00 0.00 52.55 55.40 2kdg s ASP 280 Cb -0.16 -2.42 0.04 0.00 -0.30 0.00 0.00 42.92 40.08 2kdg s ASP 280 CO 0.56 -3.10 0.07 0.54 -0.17 0.00 0.00 175.17 173.06 2kdg s VAL 281 N -2.70 -0.02 0.08 1.11 0.11 -1.26 -3.75 120.40 113.96 2kdg s VAL 281 Ca 0.66 0.08 0.01 0.00 -2.93 0.00 0.00 61.98 59.80 2kdg s VAL 281 Cb -0.21 -0.42 -0.04 0.00 -1.53 0.00 0.00 36.38 34.18 2kdg s VAL 281 CO 0.59 -0.04 -0.06 -0.44 -3.33 0.00 0.00 175.10 171.82 2kdg s SER 282 N 2.12 0.91 0.13 3.54 0.01 -1.19 -5.03 113.70 114.19 2kdg s SER 282 Ca 0.03 -0.95 0.03 0.00 1.31 0.00 0.00 55.95 56.37 2kdg s SER 282 Cb -0.14 0.12 -0.04 0.00 0.21 0.00 0.00 66.02 66.16 2kdg s SER 282 CO -0.06 -0.48 -0.07 0.26 0.41 0.00 0.00 173.24 173.31 2kdg s TRP 283 N -3.46 1.10 0.09 2.43 0.52 -1.25 -1.53 118.94 116.84 2kdg s TRP 283 Ca 0.08 -0.87 -0.05 0.00 0.02 0.00 0.00 56.10 55.28 2kdg s TRP 283 Cb 0.04 -0.60 -0.02 0.00 -1.15 0.00 0.00 33.47 31.74 2kdg s TRP 283 CO -0.06 -0.07 0.11 0.71 0.02 0.00 0.00 176.95 177.66 2kdg s TYR 284 N -3.51 0.43 -0.13 -1.98 1.51 -0.04 -1.12 117.35 112.51 2kdg s TYR 284 Ca 0.16 -0.88 -0.04 0.00 -1.01 0.00 0.00 57.07 55.29 2kdg s TYR 284 Cb 0.04 -0.24 0.06 0.00 -0.11 0.00 0.00 41.96 41.71 2kdg s TYR 284 CO -0.01 -0.51 0.24 -1.17 -1.11 0.00 0.00 175.55 172.99 2kdg s LEU 285 N -2.93 -0.25 -1.10 -1.29 2.96 -0.04 -1.44 118.68 114.60 2kdg s LEU 285 Ca 0.11 0.49 0.00 0.00 -0.22 0.00 0.00 54.13 54.50 2kdg s LEU 285 Cb 0.06 0.60 0.00 0.00 0.50 0.00 0.00 46.19 47.35 2kdg s LEU 285 CO -0.07 -0.25 0.00 0.59 -1.32 0.00 0.00 176.35 175.30 2kdg n ASN 286 N 5.34 -4.20 0.00 3.68 3.02 -0.27 -1.44 115.26 121.40 2kdg n ASN 286 Ca -0.06 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 2kdg n ASN 286 Cb 0.50 -3.40 0.00 0.00 -0.61 0.00 0.00 39.78 36.27 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 0.06 0.91 3.88 7.41 0.00 -1.26 -5.07 105.19 111.12 2kdg n GLY 287 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.73 3.71 0.62 1.61 0.52 -0.52 -5.10 118.95 119.07 2kdg s ARG 288 Ca 0.00 0.41 -0.16 0.00 -0.52 0.00 0.00 55.73 55.47 2kdg s ARG 288 Cb 0.00 -2.37 -0.02 0.00 0.52 0.00 0.00 34.95 33.08 2kdg s ARG 288 CO 0.00 -0.10 1.10 0.95 0.02 0.00 0.00 175.30 177.27 2kdg s THR 289 N -2.50 3.37 -0.23 0.02 -4.23 -1.26 -0.86 115.64 109.95 2kdg s THR 289 Ca 0.50 0.67 -0.02 0.00 -1.18 0.00 0.00 61.69 61.67 2kdg s THR 289 Cb -0.10 -3.20 0.07 0.00 1.34 0.00 0.00 72.50 70.61 2kdg s THR 289 CO 0.36 -0.36 0.04 -0.69 -0.54 0.00 0.00 174.62 173.43 2kdg s VAL 290 N -2.28 0.73 0.71 2.29 1.01 -0.27 -4.68 120.40 117.91 2kdg s VAL 290 Ca 0.67 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.68 2kdg s VAL 290 Cb -0.20 -1.29 0.02 0.00 0.00 0.00 0.00 36.38 34.91 2kdg s VAL 290 CO 0.38 -0.32 1.08 -1.10 0.00 0.00 0.00 175.10 175.14 2kdg s GLN 291 N 1.75 2.84 0.67 2.72 -0.21 -1.26 -3.87 119.66 122.29 2kdg s GLN 291 Ca 0.01 0.58 -0.13 0.00 0.02 0.00 0.00 55.36 55.84 2kdg s GLN 291 Cb -0.17 -2.01 0.00 0.00 1.00 0.00 0.00 33.01 31.83 2kdg s GLN 291 CO -0.13 -1.07 1.08 -1.54 -2.12 0.00 0.00 175.29 171.51 2kdg s SER 292 N -4.20 5.29 0.24 5.90 1.04 -1.26 -4.99 113.70 115.71 2kdg s SER 292 Ca 0.58 1.81 -0.07 0.00 0.48 0.00 0.00 55.95 58.75 2kdg s SER 292 Cb -0.12 -2.52 -0.02 0.00 0.10 0.00 0.00 66.02 63.46 2kdg s SER 292 CO 0.53 -1.51 0.35 -1.81 0.98 0.00 0.00 173.24 171.78 2kdg s ASP 293 N -3.11 0.14 0.48 7.02 1.01 -0.78 -4.96 116.67 116.46 2kdg s ASP 293 Ca 0.62 -1.17 0.13 0.00 0.71 0.00 0.00 52.55 52.84 2kdg s ASP 293 Cb -0.17 0.52 1.12 0.00 1.01 0.00 0.00 42.92 45.40 2kdg s ASP 293 CO 0.46 -1.05 2.12 -0.78 0.21 0.00 0.00 175.17 176.13 2kdg h ASP 294 N 2.37 0.18 1.55 0.27 3.58 -2.00 -1.94 116.42 120.43 2kdg h ASP 294 Ca -0.30 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.15 2kdg h ASP 294 Cb 1.25 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.25 2kdg h ASP 294 CO 0.42 0.13 -0.17 -0.07 -2.88 0.00 0.00 179.24 176.67 2kdg h LEU 295 N 0.21 0.00 -6.03 2.28 3.38 -1.96 -3.41 115.31 109.79 2kdg h LEU 295 Ca 0.06 -0.03 -0.57 0.00 0.09 0.00 0.00 57.88 57.44 2kdg h LEU 295 Cb -0.02 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.34 2kdg h LEU 295 CO -0.01 0.01 -1.02 1.41 0.09 0.00 0.00 178.44 178.93 2kdg n HIS 296 N -2.59 0.39 -2.17 1.13 8.25 -0.75 -1.18 115.22 118.31 2kdg n HIS 296 Ca 0.04 -3.68 -0.39 0.00 -0.26 0.00 0.00 57.72 53.43 2kdg n HIS 296 Cb 0.48 -0.39 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 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 -1.45 4.08 -0.28 -0.41 1.02 -1.11 -1.87 119.74 119.72 2kdg s LYS 297 Ca 0.36 2.03 -0.02 0.00 0.02 0.00 0.00 55.97 58.36 2kdg s LYS 297 Cb 0.17 -2.79 0.09 0.00 -0.52 0.00 0.00 37.83 34.78 2kdg s LYS 297 CO -0.09 -0.36 0.09 -1.64 -0.92 0.00 0.00 175.35 172.43 2kdg s MET 298 N -2.16 0.64 0.24 1.68 -1.94 -1.26 -1.97 119.30 114.53 2kdg s MET 298 Ca 0.55 -0.84 0.01 0.00 -1.71 0.00 0.00 55.69 53.70 2kdg s MET 298 Cb -0.35 -1.90 -0.04 0.00 2.01 0.00 0.00 34.83 34.55 2kdg s MET 298 CO 0.45 -0.91 0.14 0.96 -0.01 0.00 0.00 175.02 175.65 2kdg s ILE 299 N 1.74 0.20 -0.03 2.53 -0.00 -1.01 -5.04 121.20 119.59 2kdg s ILE 299 Ca 0.07 -2.00 0.02 0.00 -0.00 0.00 0.00 60.65 58.74 2kdg s ILE 299 Cb -0.17 -2.54 0.01 0.00 -0.00 0.00 0.00 42.46 39.76 2kdg s ILE 299 CO -0.23 0.00 -0.10 0.68 -0.00 0.00 0.00 174.94 175.30 2kdg s VAL 300 N -3.90 0.86 0.48 8.37 -7.23 -1.26 -1.18 120.40 116.54 2kdg s VAL 300 Ca 0.38 -0.38 -0.20 0.00 -1.81 0.00 0.00 61.98 59.97 2kdg s VAL 300 Cb 0.06 -0.77 -0.09 0.00 0.56 0.00 0.00 36.38 36.14 2kdg s VAL 300 CO 0.15 0.27 1.00 -0.55 -0.31 0.00 0.00 175.10 175.66 2kdg s SER 301 N 0.30 6.56 0.65 4.85 0.15 -0.44 -4.94 113.70 120.82 2kdg s SER 301 Ca -0.05 1.78 0.42 0.00 0.70 0.00 0.00 55.95 58.79 2kdg s SER 301 Cb -0.10 -2.54 2.27 0.00 -1.71 0.00 0.00 66.02 63.93 2kdg s SER 301 CO 0.01 -0.63 2.33 1.05 1.20 0.00 0.00 173.24 177.21 2kdg h GLU 302 N 1.51 0.00 0.00 5.44 4.11 -2.02 -1.93 114.58 121.70 2kdg h GLU 302 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 2kdg h GLU 302 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2kdg h GLU 302 CO 0.60 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.31 2kdg n LYS 303 N -3.21 0.37 -1.43 1.06 4.01 -1.26 -4.93 118.16 112.77 2kdg n LYS 303 Ca -0.03 0.05 0.00 0.00 -0.51 0.00 0.00 58.31 57.83 2kdg n LYS 303 Cb 0.09 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.11 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 0.76 0.76 2.73 0.72 0.00 -0.72 -4.94 105.19 104.49 2kdg n GLY 304 Ca 0.12 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.27 1.59 0.13 0.99 2.96 -1.24 -1.38 118.68 119.47 2kdg s LEU 305 Ca 0.00 -1.18 -0.31 0.00 -0.22 0.00 0.00 54.13 52.42 2kdg s LEU 305 Cb 0.00 -0.71 -0.09 0.00 0.50 0.00 0.00 46.19 45.89 2kdg s LEU 305 CO 0.00 -0.35 1.53 -1.00 -1.32 0.00 0.00 176.35 175.21 2kdg s HIS 306 N 1.77 3.00 -0.07 5.38 3.76 -0.08 -1.33 115.29 127.72 2kdg s HIS 306 Ca 0.03 0.67 0.03 0.00 -0.15 0.00 0.00 55.06 55.65 2kdg s HIS 306 Cb -0.17 -3.86 0.00 0.00 1.11 0.00 0.00 32.58 29.66 2kdg s HIS 306 CO -0.17 -3.20 -0.17 -1.12 -0.85 0.00 0.00 174.74 169.23 2kdg s SER 307 N 1.35 2.31 -0.13 1.40 0.01 -0.32 -1.97 113.70 116.35 2kdg s SER 307 Ca 0.69 -0.40 -0.02 0.00 1.31 0.00 0.00 55.95 57.53 2kdg s SER 307 Cb -0.41 -0.94 0.04 0.00 0.21 0.00 0.00 66.02 64.92 2kdg s SER 307 CO 0.31 0.11 0.00 -0.22 0.41 0.00 0.00 173.24 173.85 2kdg s LEU 308 N 0.38 0.94 0.18 2.44 1.98 -1.24 -2.42 118.68 120.94 2kdg s LEU 308 Ca -0.13 -0.43 0.00 0.00 -2.89 0.00 0.00 54.13 50.69 2kdg s LEU 308 Cb -0.15 -0.57 -0.04 0.00 0.66 0.00 0.00 46.19 46.09 2kdg s LEU 308 CO 0.05 -0.23 0.35 -0.63 -1.89 0.00 0.00 176.35 174.00 2kdg s ILE 309 N 1.88 5.25 -0.30 6.68 1.09 -0.83 -0.86 121.20 134.11 2kdg s ILE 309 Ca 0.02 -0.46 0.01 0.00 -1.10 0.00 0.00 60.65 59.13 2kdg s ILE 309 Cb -0.14 -3.73 0.09 0.00 -1.06 0.00 0.00 42.46 37.62 2kdg s ILE 309 CO -0.07 -0.13 0.05 -0.36 -0.10 0.00 0.00 174.94 174.33 2kdg s PHE 310 N -1.81 2.45 0.27 3.97 0.08 0.15 -4.03 117.98 119.06 2kdg s PHE 310 Ca 0.37 -2.08 0.00 0.00 0.12 0.00 0.00 56.93 55.34 2kdg s PHE 310 Cb -0.11 -2.01 0.39 0.00 -0.57 0.00 0.00 43.02 40.72 2kdg s PHE 310 CO 0.29 -0.86 1.76 0.93 -0.10 0.00 0.00 175.22 177.23 2kdg h GLU 311 N 7.92 0.67 -1.67 0.44 4.39 -1.40 -0.37 114.58 124.57 2kdg h GLU 311 Ca -0.12 -0.19 -0.28 0.00 0.34 0.00 0.00 59.36 59.11 2kdg h GLU 311 Cb 1.03 -0.07 -0.27 0.00 -0.10 0.00 0.00 28.75 29.34 2kdg h GLU 311 CO 0.47 0.74 -0.62 0.54 -1.16 0.00 0.00 179.01 178.98 2kdg s VAL 312 N -4.83 -0.53 0.14 3.13 0.11 -1.26 -3.94 120.40 113.22 2kdg s VAL 312 Ca -0.08 -0.71 -0.31 0.00 -2.93 0.00 0.00 61.98 57.95 2kdg s VAL 312 Cb 0.14 -0.48 -0.08 0.00 -1.53 0.00 0.00 36.38 34.44 2kdg s VAL 312 CO 0.80 -0.41 1.34 0.54 -3.33 0.00 0.00 175.10 174.04 2kdg s VAL 313 N 1.55 3.35 0.28 2.04 0.11 -0.78 -4.87 120.40 122.08 2kdg s VAL 313 Ca 0.17 1.01 0.09 0.00 -2.93 0.00 0.00 61.98 60.32 2kdg s VAL 313 Cb -0.12 -3.65 -0.04 0.00 -1.53 0.00 0.00 36.38 31.04 2kdg s VAL 313 CO -0.04 0.10 0.08 -0.13 -3.33 0.00 0.00 175.10 171.78 2kdg s ARG 314 N 0.68 2.48 0.41 1.54 1.81 -1.26 -0.54 118.95 124.07 2kdg s ARG 314 Ca 0.61 -1.35 0.12 0.00 -1.72 0.00 0.00 55.73 53.39 2kdg s ARG 314 Cb -0.36 -2.27 0.95 0.00 -0.45 0.00 0.00 34.95 32.82 2kdg s ARG 314 CO 0.33 0.32 1.97 0.00 -0.68 0.00 0.00 175.30 177.23 2kdg h ALA 315 N 1.71 1.94 0.00 2.13 0.00 -1.96 -0.99 119.26 122.09 2kdg h ALA 315 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2kdg h ALA 315 Cb 1.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2kdg h ALA 315 CO 0.61 -0.08 0.00 0.77 0.00 0.00 0.00 179.25 180.55 2kdg h SER 316 N 0.50 0.00 0.74 0.00 0.02 -1.96 -3.00 113.55 109.84 2kdg h SER 316 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 2kdg h SER 316 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 2kdg h SER 316 CO -0.09 0.00 -0.05 0.47 -1.14 0.00 0.00 176.83 176.02 2kdg n ASP 317 N -2.55 0.09 -4.75 3.07 8.00 -0.38 -4.92 116.55 115.12 2kdg n ASP 317 Ca 0.00 0.10 -0.37 0.00 0.71 0.00 0.00 54.79 55.23 2kdg n ASP 317 Cb 0.18 -0.32 0.04 0.00 -0.02 0.00 0.00 41.12 41.00 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 -2.79 2.67 0.00 2.24 0.00 -1.14 -4.97 121.76 117.78 2kdg s ALA 318 Ca 0.20 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.33 2kdg s ALA 318 Cb 0.19 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2kdg s ALA 318 CO 0.51 -1.26 0.00 0.41 0.00 0.00 0.00 175.76 175.42 2kdg n GLY 319 N 0.66 0.41 3.54 0.00 0.00 -0.22 -5.00 105.19 104.58 2kdg n GLY 319 Ca 0.12 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.06 2.88 0.47 4.61 0.00 -1.26 -1.22 121.76 126.18 2kdg s ALA 320 Ca 0.00 -1.28 -0.19 0.00 0.00 0.00 0.00 51.96 50.49 2kdg s ALA 320 Cb 0.00 -4.12 -0.09 0.00 0.00 0.00 0.00 23.12 18.90 2kdg s ALA 320 CO 0.00 -3.02 0.98 0.71 0.00 0.00 0.00 175.76 174.44 2kdg s TYR 321 N 5.24 3.28 0.09 0.00 1.51 -0.10 -1.11 117.35 126.25 2kdg s TYR 321 Ca 0.35 1.56 -0.04 0.00 -1.01 0.00 0.00 57.07 57.94 2kdg s TYR 321 Cb -0.09 -2.88 -0.03 0.00 -0.11 0.00 0.00 41.96 38.85 2kdg s TYR 321 CO 0.17 -0.36 0.07 0.00 -1.11 0.00 0.00 175.55 174.33 2kdg s ALA 322 N -2.29 0.34 0.05 3.71 0.00 -0.52 -1.31 121.76 121.74 2kdg s ALA 322 Ca 0.62 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 51.53 2kdg s ALA 322 Cb -0.11 0.49 -0.02 0.00 0.00 0.00 0.00 23.12 23.48 2kdg s ALA 322 CO 0.21 -0.45 -0.09 0.00 0.00 0.00 0.00 175.76 175.43 2kdg s VAL 324 N -1.36 1.66 -0.11 0.00 0.11 -0.58 -0.90 120.40 119.23 2kdg s VAL 324 Ca -0.09 -0.99 -0.00 0.00 -2.93 0.00 0.00 61.98 57.97 2kdg s VAL 324 Cb -0.10 -1.40 0.02 0.00 -1.53 0.00 0.00 36.38 33.37 2kdg s VAL 324 CO 0.01 0.39 -0.07 0.00 -3.33 0.00 0.00 175.10 172.10 2kdg s ALA 325 N -0.58 1.26 -0.03 1.54 0.00 -0.19 -3.19 121.76 120.56 2kdg s ALA 325 Ca 0.08 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.56 2kdg s ALA 325 Cb -0.08 -0.87 0.01 0.00 0.00 0.00 0.00 23.12 22.18 2kdg s ALA 325 CO -0.00 -0.39 -0.04 0.15 0.00 0.00 0.00 175.76 175.48 2kdg s LYS 326 N 1.67 0.66 0.38 0.00 1.02 -1.25 -0.86 119.74 121.36 2kdg s LYS 326 Ca 0.04 -0.12 0.05 0.00 0.02 0.00 0.00 55.97 55.97 2kdg s LYS 326 Cb -0.13 -0.68 -0.02 0.00 -0.52 0.00 0.00 37.83 36.49 2kdg s LYS 326 CO -0.07 -0.02 0.19 0.27 -0.92 0.00 0.00 175.35 174.80 2kdg n ASN 327 N 3.71 0.53 0.06 2.83 0.23 -0.57 -0.90 115.26 121.14 2kdg n ASN 327 Ca -0.22 -3.17 0.05 0.00 -0.53 0.00 0.00 54.58 50.70 2kdg n ASN 327 Cb 0.53 1.26 0.25 0.00 -2.08 0.00 0.00 39.78 39.74 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 -0.81 0.06 -0.00 -3.83 1.85 -1.26 -2.55 116.66 110.11 2kdg n ARG 328 Ca -0.01 0.51 0.07 0.00 -1.00 0.00 0.00 57.85 57.42 2kdg n ARG 328 Cb 0.61 -1.67 -0.10 0.00 -1.05 0.00 0.00 32.46 30.25 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 -1.60 3.20 0.00 2.89 0.00 -1.26 -5.09 120.51 118.65 2kdg n ALA 329 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2kdg n ALA 329 Cb 0.05 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 1.50 -1.19 3.03 0.00 0.00 -1.06 -4.42 105.19 103.06 2kdg n GLY 330 Ca -0.00 -1.13 -0.14 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.65 0.50 0.04 1.61 2.12 -1.26 -1.51 118.70 118.55 2kdg s GLU 331 Ca 0.00 -0.56 -0.02 0.00 0.36 0.00 0.00 54.97 54.75 2kdg s GLU 331 Cb 0.00 -0.35 -0.03 0.00 0.26 0.00 0.00 34.13 34.01 2kdg s GLU 331 CO 0.00 0.08 -0.00 0.00 -0.54 0.00 0.00 175.26 174.79 2kdg s ALA 332 N -0.94 0.31 -0.01 6.30 0.00 -0.04 -4.83 121.76 122.55 2kdg s ALA 332 Ca -0.06 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 50.95 2kdg s ALA 332 Cb -0.07 0.25 0.01 0.00 0.00 0.00 0.00 23.12 23.31 2kdg s ALA 332 CO 0.00 -0.32 0.01 0.99 0.00 0.00 0.00 175.76 176.44 2kdg s THR 333 N -3.18 0.02 0.15 0.00 2.01 -1.26 -1.03 115.64 112.35 2kdg s THR 333 Ca 0.00 0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.14 2kdg s THR 333 Cb 0.02 -0.08 -0.04 0.00 0.01 0.00 0.00 72.50 72.42 2kdg s THR 333 CO -0.07 0.05 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.41 2kdg s PHE 334 N 0.49 1.51 0.00 4.92 0.08 -0.08 -5.00 117.98 119.90 2kdg s PHE 334 Ca -0.04 -0.57 -0.04 0.00 0.12 0.00 0.00 56.93 56.41 2kdg s PHE 334 Cb -0.06 -0.76 -0.00 0.00 -0.57 0.00 0.00 43.02 41.62 2kdg s PHE 334 CO -0.01 0.20 0.06 0.99 -0.10 0.00 0.00 175.22 176.36 2kdg s THR 335 N -2.39 0.07 0.18 0.64 2.01 -1.26 -1.04 115.64 113.85 2kdg s THR 335 Ca 0.13 -0.59 -0.10 0.00 0.31 0.00 0.00 61.69 61.43 2kdg s THR 335 Cb -0.04 -0.29 -0.00 0.00 0.01 0.00 0.00 72.50 72.18 2kdg s THR 335 CO 0.04 -0.33 0.34 0.54 -0.69 0.00 0.00 174.62 174.52 2kdg s VAL 336 N -1.05 0.05 -0.09 3.82 0.11 -0.43 -4.81 120.40 118.01 2kdg s VAL 336 Ca -0.11 -1.32 0.04 0.00 -2.93 0.00 0.00 61.98 57.66 2kdg s VAL 336 Cb -0.07 -1.87 -0.01 0.00 -1.53 0.00 0.00 36.38 32.91 2kdg s VAL 336 CO 0.00 -0.22 -0.23 -1.58 -3.33 0.00 0.00 175.10 169.74 2kdg s GLN 337 N -3.97 2.93 -0.27 1.54 0.74 -1.26 -0.92 119.66 118.45 2kdg s GLN 337 Ca 0.17 -0.86 0.03 0.00 0.05 0.00 0.00 55.36 54.75 2kdg s GLN 337 Cb 0.02 -2.30 0.07 0.00 1.10 0.00 0.00 33.01 31.90 2kdg s GLN 337 CO 0.01 0.25 -0.08 -1.17 -0.55 0.00 0.00 175.29 173.75 2kdg s LEU 338 N 0.17 3.56 0.37 3.68 2.96 -0.36 -0.99 118.68 128.07 2kdg s LEU 338 Ca -0.13 -1.49 -0.24 0.00 -0.22 0.00 0.00 54.13 52.05 2kdg s LEU 338 Cb -0.16 -1.53 -0.10 0.00 0.50 0.00 0.00 46.19 44.90 2kdg s LEU 338 CO 0.07 -0.22 0.98 -1.81 -1.32 0.00 0.00 176.35 174.05 2kdg s ASP 339 N 1.10 7.08 -0.28 3.68 1.01 -0.15 -1.06 116.67 128.04 2kdg s ASP 339 Ca -0.06 1.86 0.02 0.00 0.71 0.00 0.00 52.55 55.07 2kdg s ASP 339 Cb -0.20 -2.57 0.08 0.00 1.01 0.00 0.00 42.92 41.24 2kdg s ASP 339 CO -0.06 -0.26 0.01 -0.69 0.21 0.00 0.00 175.17 174.38 2kdg s VAL 340 N -1.76 1.67 -0.66 -1.27 1.01 -1.26 -2.01 120.40 116.11 2kdg s VAL 340 Ca 0.55 -1.63 -0.26 0.00 0.00 0.00 0.00 61.98 60.64 2kdg s VAL 340 Cb -0.17 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 2kdg s VAL 340 CO 0.22 -0.37 1.81 -0.76 0.00 0.00 0.00 175.10 176.00 2kdg s LEU 341 N 1.27 3.27 0.16 3.92 1.43 0.20 -4.80 118.68 124.13 2kdg s LEU 341 Ca 0.02 0.14 -0.33 0.00 -1.03 0.00 0.00 54.13 52.94 2kdg s LEU 341 Cb -0.19 -2.54 -0.13 0.00 0.03 0.00 0.00 46.19 43.37 2kdg s LEU 341 CO -0.11 -2.35 1.68 0.00 0.23 0.00 0.00 176.35 175.81 2kdg n ALA 342 N 12.48 2.02 0.26 4.21 0.00 -1.26 -1.22 120.51 136.99 2kdg n ALA 342 Ca 0.21 0.40 0.15 0.00 0.00 0.00 0.00 53.44 54.20 2kdg n ALA 342 Cb 0.51 -2.46 0.49 0.00 0.00 0.00 0.00 19.45 17.99 2kdg n ALA 342 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2kdg h LYS 343 N 6.75 0.00 0.00 0.00 3.64 -1.93 -3.47 116.57 121.56 2kdg h LYS 343 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2kdg h LYS 343 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2kdg h LYS 343 CO 0.93 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 178.50