#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 0.83 0.36 4.61 0.00 -1.26 -5.10 121.76 121.21 2kdg s ALA -3 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 51.96 51.99 2kdg s ALA -3 Cb 0.00 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 2kdg s ALA -3 CO 0.00 -2.94 0.17 0.00 0.00 0.00 0.00 175.76 172.99 2kdg s MET -2 N -4.75 1.79 0.00 0.00 0.23 -1.26 -5.01 119.30 110.30 2kdg s MET -2 Ca 0.66 -2.06 0.00 0.00 -1.03 0.00 0.00 55.69 53.26 2kdg s MET -2 Cb -0.21 -0.25 0.00 0.00 -1.53 0.00 0.00 34.83 32.84 2kdg s MET -2 CO 0.60 -0.51 0.00 0.41 -2.03 0.00 0.00 175.02 173.49 2kdg n GLY -1 N -0.75 0.03 3.73 3.16 0.00 -0.53 -4.94 105.19 105.90 2kdg n GLY -1 Ca -0.01 -0.89 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 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 1.79 0.40 1.61 0.04 -1.26 -1.58 135.00 133.99 2kdg s PRO 249 Ca 0.00 1.32 -0.26 0.00 0.04 0.00 0.00 61.00 62.10 2kdg s PRO 249 Cb 0.00 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.62 2kdg s PRO 249 CO 0.00 -2.02 1.23 -1.25 0.04 0.00 0.00 177.00 175.00 2kdg s PRO 250 N -4.79 4.03 0.06 0.56 0.04 -1.26 -4.15 135.00 129.49 2kdg s PRO 250 Ca 0.63 2.00 0.05 0.00 0.04 0.00 0.00 61.00 63.72 2kdg s PRO 250 Cb -0.19 -2.74 -0.03 0.00 0.04 0.00 0.00 34.50 31.58 2kdg s PRO 250 CO 0.57 -0.39 -0.13 1.03 0.04 0.00 0.00 177.00 178.12 2kdg s ARG 251 N -2.23 0.80 -0.42 4.56 3.00 -0.30 -4.59 118.95 119.76 2kdg s ARG 251 Ca 0.56 -0.91 -0.29 0.00 0.00 0.00 0.00 55.73 55.10 2kdg s ARG 251 Cb -0.34 -0.78 0.02 0.00 0.00 0.00 0.00 34.95 33.85 2kdg s ARG 251 CO 0.44 0.17 1.25 -0.06 0.00 0.00 0.00 175.30 177.10 2kdg s PHE 252 N -1.23 2.68 -0.14 -0.53 0.40 -1.26 -2.66 117.98 115.24 2kdg s PHE 252 Ca -0.02 0.76 -0.03 0.00 -0.60 0.00 0.00 56.93 57.03 2kdg s PHE 252 Cb -0.10 -4.28 -0.08 0.00 0.51 0.00 0.00 43.02 39.08 2kdg s PHE 252 CO 0.02 -1.53 -0.15 -0.89 0.70 0.00 0.00 175.22 173.36 2kdg n ILE 253 N 6.78 0.80 -3.76 0.64 2.08 -1.16 -4.98 119.36 119.77 2kdg n ILE 253 Ca 0.14 -0.26 -0.13 0.00 0.56 0.00 0.00 62.75 63.06 2kdg n ILE 253 Cb 0.48 -1.32 -0.10 0.00 -0.75 0.00 0.00 39.64 37.95 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 -2.27 0.46 -0.05 0.38 0.74 -0.76 -4.91 119.66 113.24 2kdg s GLN 254 Ca -0.20 0.33 0.05 0.00 0.05 0.00 0.00 55.36 55.60 2kdg s GLN 254 Cb 0.06 0.22 -0.01 0.00 1.10 0.00 0.00 33.01 34.38 2kdg s GLN 254 CO 0.29 -0.08 -0.21 0.14 -0.55 0.00 0.00 175.29 174.88 2kdg s VAL 255 N -0.15 1.75 0.69 1.34 -7.23 -1.26 -2.95 120.40 112.59 2kdg s VAL 255 Ca -0.03 -0.90 -0.11 0.00 -1.81 0.00 0.00 61.98 59.13 2kdg s VAL 255 Cb -0.03 -1.49 0.00 0.00 0.56 0.00 0.00 36.38 35.42 2kdg s VAL 255 CO 0.01 0.49 1.06 -2.16 -0.31 0.00 0.00 175.10 174.19 2kdg s PRO 256 N -0.10 3.01 0.93 4.82 0.04 -1.26 -5.07 135.00 137.37 2kdg s PRO 256 Ca -0.03 0.94 -0.11 0.00 0.04 0.00 0.00 61.00 61.84 2kdg s PRO 256 Cb -0.12 -2.00 0.15 0.00 0.04 0.00 0.00 34.50 32.57 2kdg s PRO 256 CO 0.03 -1.04 1.09 -1.21 0.04 0.00 0.00 177.00 175.91 2kdg s GLU 257 N -5.04 0.96 -0.15 4.56 8.01 -1.26 -4.85 118.70 120.94 2kdg s GLU 257 Ca 0.58 0.92 -0.29 0.00 0.01 0.00 0.00 54.97 56.19 2kdg s GLU 257 Cb -0.14 -1.77 -0.05 0.00 -4.31 0.00 0.00 34.13 27.86 2kdg s GLU 257 CO 0.54 -2.47 2.01 0.54 0.01 0.00 0.00 175.26 175.89 2kdg s ASN 258 N -3.21 5.93 0.45 -0.19 4.22 -1.26 -4.78 114.94 116.11 2kdg s ASN 258 Ca 0.64 2.02 -0.21 0.00 -2.14 0.00 0.00 52.86 53.17 2kdg s ASN 258 Cb -0.19 -2.52 -0.09 0.00 1.28 0.00 0.00 41.25 39.72 2kdg s ASN 258 CO 0.58 -1.56 1.02 -0.04 -2.04 0.00 0.00 177.10 175.06 2kdg s MET 259 N 5.46 4.00 -0.29 3.55 -1.94 -0.92 -4.90 119.30 124.26 2kdg s MET 259 Ca 0.90 1.35 0.00 0.00 -1.71 0.00 0.00 55.69 56.23 2kdg s MET 259 Cb -0.33 -2.24 0.09 0.00 2.01 0.00 0.00 34.83 34.35 2kdg s MET 259 CO 0.36 -0.26 0.05 -1.54 -0.01 0.00 0.00 175.02 173.62 2kdg s SER 260 N -1.91 4.09 -0.14 3.03 1.04 -1.26 -0.85 113.70 117.70 2kdg s SER 260 Ca 0.63 -1.61 0.02 0.00 0.48 0.00 0.00 55.95 55.47 2kdg s SER 260 Cb -0.16 -1.09 0.01 0.00 0.10 0.00 0.00 66.02 64.88 2kdg s SER 260 CO 0.20 -0.36 -0.19 -0.63 0.98 0.00 0.00 173.24 173.24 2kdg s ILE 261 N 1.42 1.87 0.13 -1.02 -1.09 -1.03 -4.94 121.20 116.53 2kdg s ILE 261 Ca 0.06 -0.85 -0.32 0.00 -2.23 0.00 0.00 60.65 57.31 2kdg s ILE 261 Cb -0.18 -1.68 -0.11 0.00 -1.58 0.00 0.00 42.46 38.91 2kdg s ILE 261 CO -0.16 0.51 1.79 -0.67 -1.23 0.00 0.00 174.94 175.18 2kdg n ASP 262 N 4.28 3.88 -4.65 3.58 2.03 -1.26 -0.84 116.55 123.57 2kdg n ASP 262 Ca -0.20 1.01 -0.45 0.00 0.52 0.00 0.00 54.79 55.67 2kdg n ASP 262 Cb 0.51 -1.52 -0.02 0.00 -0.72 0.00 0.00 41.12 39.36 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 1.81 0.00 -0.67 2.13 -0.29 -2.91 120.64 125.89 2kdg n GLU 263 Ca 0.18 0.64 0.00 0.00 0.66 0.00 0.00 57.16 58.64 2kdg n GLU 263 Cb 0.35 -2.22 0.00 0.00 0.27 0.00 0.00 31.44 29.84 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 1.75 1.00 3.79 8.31 0.00 -0.06 -4.83 105.19 115.16 2kdg n GLY 264 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.75 2.72 0.29 1.61 0.52 -1.14 -4.55 118.95 117.65 2kdg s ARG 265 Ca 0.00 1.10 -0.29 0.00 -0.52 0.00 0.00 55.73 56.03 2kdg s ARG 265 Cb 0.00 -1.96 -0.09 0.00 0.52 0.00 0.00 34.95 33.42 2kdg s ARG 265 CO 0.00 -1.28 1.07 0.12 0.02 0.00 0.00 175.30 175.23 2kdg s PHE 266 N -2.86 3.59 0.25 -0.53 2.19 -1.22 -2.13 117.98 117.26 2kdg s PHE 266 Ca 0.61 1.72 -0.11 0.00 0.33 0.00 0.00 56.93 59.48 2kdg s PHE 266 Cb -0.16 -3.21 -0.01 0.00 -1.31 0.00 0.00 43.02 38.33 2kdg s PHE 266 CO 0.52 -0.41 0.46 0.00 1.83 0.00 0.00 175.22 177.61 2kdg s ARG 268 N -3.91 0.36 0.38 0.00 1.70 -1.26 -0.84 118.95 115.38 2kdg s ARG 268 Ca 0.24 0.03 -0.02 0.00 -0.47 0.00 0.00 55.73 55.51 2kdg s ARG 268 Cb -0.00 0.16 -0.04 0.00 -0.57 0.00 0.00 34.95 34.50 2kdg s ARG 268 CO 0.10 -0.07 0.63 -1.64 -1.08 0.00 0.00 175.30 173.24 2kdg s MET 269 N -0.49 3.52 -0.18 3.89 -1.94 -0.23 -4.97 119.30 118.90 2kdg s MET 269 Ca -0.06 -0.11 -0.04 0.00 -1.71 0.00 0.00 55.69 53.76 2kdg s MET 269 Cb -0.04 -2.56 0.06 0.00 2.01 0.00 0.00 34.83 34.30 2kdg s MET 269 CO 0.01 0.04 0.07 0.16 -0.01 0.00 0.00 175.02 175.29 2kdg s ASP 270 N -3.95 2.55 -0.40 3.03 -4.77 -1.26 -3.07 116.67 108.80 2kdg s ASP 270 Ca 0.43 -0.69 0.01 0.00 -3.30 0.00 0.00 52.55 48.99 2kdg s ASP 270 Cb -0.10 -0.36 0.11 0.00 -1.09 0.00 0.00 42.92 41.48 2kdg s ASP 270 CO 0.38 -0.34 0.16 -0.36 0.70 0.00 0.00 175.17 175.72 2kdg s PHE 271 N 2.04 3.62 0.28 2.11 0.40 -0.28 -4.07 117.98 122.08 2kdg s PHE 271 Ca 0.01 -2.75 -0.29 0.00 -0.60 0.00 0.00 56.93 53.29 2kdg s PHE 271 Cb -0.16 -3.07 -0.10 0.00 0.51 0.00 0.00 43.02 40.20 2kdg s PHE 271 CO -0.09 -0.93 1.31 0.15 0.70 0.00 0.00 175.22 176.36 2kdg s LYS 272 N 0.83 4.37 0.02 0.44 1.02 -1.15 -0.93 119.74 124.34 2kdg s LYS 272 Ca 0.11 2.16 -0.11 0.00 0.02 0.00 0.00 55.97 58.15 2kdg s LYS 272 Cb -0.21 -3.12 0.01 0.00 -0.52 0.00 0.00 37.83 33.99 2kdg s LYS 272 CO -0.05 -0.21 0.22 0.54 -0.92 0.00 0.00 175.35 174.93 2kdg s VAL 273 N -0.67 0.09 0.30 3.17 0.11 -0.51 -1.83 120.40 121.07 2kdg s VAL 273 Ca 0.52 -0.74 0.03 0.00 -2.93 0.00 0.00 61.98 58.86 2kdg s VAL 273 Cb -0.39 -0.76 -0.04 0.00 -1.53 0.00 0.00 36.38 33.67 2kdg s VAL 273 CO 0.47 -0.41 0.17 -0.55 -3.33 0.00 0.00 175.10 171.45 2kdg s SER 274 N -1.79 1.49 0.00 3.54 0.15 -1.09 -4.25 113.70 111.76 2kdg s SER 274 Ca -0.09 -1.58 0.00 0.00 0.70 0.00 0.00 55.95 54.99 2kdg s SER 274 Cb -0.03 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 2kdg s SER 274 CO -0.01 -0.91 0.00 0.61 1.20 0.00 0.00 173.24 174.13 2kdg n GLY 275 N -0.58 3.00 3.35 9.45 0.00 -1.26 -1.15 105.19 118.01 2kdg n GLY 275 Ca 0.02 -2.03 -0.12 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.02 1.09 0.99 2.96 -0.61 -4.58 118.68 118.52 2kdg s LEU 276 Ca 0.00 0.97 -0.14 0.00 -0.22 0.00 0.00 54.13 54.74 2kdg s LEU 276 Cb 0.00 1.57 0.24 0.00 0.50 0.00 0.00 46.19 48.50 2kdg s LEU 276 CO 0.00 -0.18 1.08 -2.16 -1.32 0.00 0.00 176.35 173.77 2kdg s PRO 277 N 0.84 -0.35 0.01 0.98 0.04 -1.26 -1.45 135.00 133.81 2kdg s PRO 277 Ca -0.05 0.38 -0.33 0.00 0.04 0.00 0.00 61.00 61.04 2kdg s PRO 277 Cb -0.06 -1.66 -0.11 0.00 0.04 0.00 0.00 34.50 32.71 2kdg s PRO 277 CO -0.07 -3.23 1.84 0.00 0.04 0.00 0.00 177.00 175.59 2kdg n ALA 278 N -4.50 1.29 -1.58 8.56 0.00 -1.26 -4.83 120.51 118.19 2kdg n ALA 278 Ca 0.07 0.30 -0.33 0.00 0.00 0.00 0.00 53.44 53.48 2kdg n ALA 278 Cb 0.58 -2.52 0.03 0.00 0.00 0.00 0.00 19.45 17.54 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 3.40 3.02 -1.35 0.00 0.04 -1.26 -4.90 135.00 133.95 2kdg s PRO 279 Ca 0.88 1.27 -0.16 0.00 0.04 0.00 0.00 61.00 63.02 2kdg s PRO 279 Cb -0.61 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 31.98 2kdg s PRO 279 CO 0.45 -1.06 2.01 -3.47 0.04 0.00 0.00 177.00 174.97 2kdg n ASP 280 N -2.34 4.20 -4.68 6.66 2.03 -0.06 -4.80 116.55 117.57 2kdg n ASP 280 Ca 0.09 -2.86 -0.46 0.00 0.52 0.00 0.00 54.79 52.09 2kdg n ASP 280 Cb 0.53 -1.67 -0.04 0.00 -0.72 0.00 0.00 41.12 39.21 2kdg n ASP 280 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2kdg n VAL 281 N 5.77 0.49 -3.76 5.18 0.24 -1.26 -4.24 118.33 120.75 2kdg n VAL 281 Ca 0.50 -0.09 -0.27 0.00 -2.04 0.00 0.00 64.34 62.44 2kdg n VAL 281 Cb 0.42 -1.94 -0.17 0.00 -1.47 0.00 0.00 33.84 30.69 2kdg n VAL 281 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2kdg s SER 282 N 3.44 2.81 0.29 -1.34 0.01 -0.11 -5.00 113.70 113.79 2kdg s SER 282 Ca 0.88 -0.75 -0.13 0.00 1.31 0.00 0.00 55.95 57.26 2kdg s SER 282 Cb -0.61 -0.64 -0.08 0.00 0.21 0.00 0.00 66.02 64.90 2kdg s SER 282 CO 0.46 -0.28 0.67 0.26 0.41 0.00 0.00 173.24 174.75 2kdg s TRP 283 N 1.82 3.40 0.07 2.43 0.52 -1.26 -1.28 118.94 124.64 2kdg s TRP 283 Ca -0.00 1.10 -0.03 0.00 0.02 0.00 0.00 56.10 57.19 2kdg s TRP 283 Cb -0.16 -2.44 -0.03 0.00 -1.15 0.00 0.00 33.47 29.68 2kdg s TRP 283 CO -0.07 0.17 0.03 0.71 0.02 0.00 0.00 176.95 177.80 2kdg s TYR 284 N -1.91 0.46 -0.14 -1.98 1.51 0.12 -1.24 117.35 114.17 2kdg s TYR 284 Ca 0.51 -0.97 -0.06 0.00 -1.01 0.00 0.00 57.07 55.54 2kdg s TYR 284 Cb -0.11 -0.32 0.06 0.00 -0.11 0.00 0.00 41.96 41.49 2kdg s TYR 284 CO 0.19 -0.43 0.30 -1.17 -1.11 0.00 0.00 175.55 173.33 2kdg s LEU 285 N -2.92 -0.17 -0.91 -1.29 2.96 0.17 -1.30 118.68 115.23 2kdg s LEU 285 Ca 0.08 0.68 0.00 0.00 -0.22 0.00 0.00 54.13 54.67 2kdg s LEU 285 Cb 0.07 0.89 0.00 0.00 0.50 0.00 0.00 46.19 47.65 2kdg s LEU 285 CO -0.09 -0.22 0.00 0.59 -1.32 0.00 0.00 176.35 175.31 2kdg n ASN 286 N 4.97 -3.88 0.00 3.68 3.02 -0.55 -1.51 115.26 120.98 2kdg n ASN 286 Ca -0.13 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 2kdg n ASN 286 Cb 0.51 -3.10 0.00 0.00 -0.61 0.00 0.00 39.78 36.58 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 0.11 0.71 3.57 7.41 0.00 -1.26 -5.08 105.19 110.66 2kdg n GLY 287 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 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 1.97 0.75 1.61 0.52 -0.57 -5.15 118.95 117.49 2kdg s ARG 288 Ca 0.00 -1.71 -0.12 0.00 -0.52 0.00 0.00 55.73 53.38 2kdg s ARG 288 Cb 0.00 -1.90 0.05 0.00 0.52 0.00 0.00 34.95 33.62 2kdg s ARG 288 CO 0.00 0.24 1.10 0.95 0.02 0.00 0.00 175.30 177.61 2kdg s THR 289 N -2.49 3.24 -0.24 0.02 -4.23 -1.26 -0.66 115.64 110.02 2kdg s THR 289 Ca 0.32 0.45 -0.01 0.00 -1.18 0.00 0.00 61.69 61.27 2kdg s THR 289 Cb -0.03 -2.92 0.07 0.00 1.34 0.00 0.00 72.50 70.97 2kdg s THR 289 CO 0.18 -0.48 0.03 -0.69 -0.54 0.00 0.00 174.62 173.11 2kdg s VAL 290 N -2.74 0.97 0.58 2.29 1.01 -0.37 -4.63 120.40 117.50 2kdg s VAL 290 Ca 0.63 -1.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 2kdg s VAL 290 Cb -0.18 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 2kdg s VAL 290 CO 0.52 -0.32 1.07 -1.10 0.00 0.00 0.00 175.10 175.28 2kdg s GLN 291 N 1.63 3.31 0.57 2.72 -0.21 -1.26 -4.31 119.66 122.11 2kdg s GLN 291 Ca 0.01 1.32 -0.19 0.00 0.02 0.00 0.00 55.36 56.52 2kdg s GLN 291 Cb -0.18 -2.02 -0.05 0.00 1.00 0.00 0.00 33.01 31.76 2kdg s GLN 291 CO -0.12 -0.83 1.15 -1.54 -2.12 0.00 0.00 175.29 171.83 2kdg s SER 292 N -2.46 5.51 0.24 5.90 1.04 -1.26 -4.97 113.70 117.70 2kdg s SER 292 Ca 0.66 2.24 -0.13 0.00 0.48 0.00 0.00 55.95 59.20 2kdg s SER 292 Cb -0.18 -2.59 -0.00 0.00 0.10 0.00 0.00 66.02 63.35 2kdg s SER 292 CO 0.33 -1.37 0.48 -0.62 0.98 0.00 0.00 173.24 173.04 2kdg s ASP 293 N -1.76 -0.10 0.43 7.02 2.15 -0.90 -4.97 116.67 118.55 2kdg s ASP 293 Ca 0.74 -0.91 0.11 0.00 0.43 0.00 0.00 52.55 52.93 2kdg s ASP 293 Cb -0.26 0.58 0.94 0.00 -0.30 0.00 0.00 42.92 43.89 2kdg s ASP 293 CO 0.30 -1.13 2.01 0.44 -0.17 0.00 0.00 175.17 176.61 2kdg h ASP 294 N 2.26 0.17 1.24 -0.34 3.32 -2.00 -1.94 116.42 119.13 2kdg h ASP 294 Ca -0.26 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.73 2kdg h ASP 294 Cb 1.25 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 2kdg h ASP 294 CO 0.36 0.25 -0.16 -0.07 -1.72 0.00 0.00 179.24 177.90 2kdg h LEU 295 N 0.19 0.00 -6.00 1.55 3.38 -1.96 -3.40 115.31 109.07 2kdg h LEU 295 Ca 0.04 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.46 2kdg h LEU 295 Cb 0.21 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.56 2kdg h LEU 295 CO 0.01 0.16 -1.04 1.41 0.09 0.00 0.00 178.44 179.07 2kdg n HIS 296 N -3.24 0.40 -2.26 1.13 8.25 -0.76 -1.25 115.22 117.50 2kdg n HIS 296 Ca 0.01 -3.70 -0.39 0.00 -0.26 0.00 0.00 57.72 53.38 2kdg n HIS 296 Cb 0.46 -0.39 -0.02 0.00 1.12 0.00 0.00 29.99 31.15 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 -1.65 4.16 -0.27 -0.41 1.02 -1.00 -2.12 119.74 119.48 2kdg s LYS 297 Ca 0.37 1.94 -0.02 0.00 0.02 0.00 0.00 55.97 58.27 2kdg s LYS 297 Cb 0.20 -2.81 0.09 0.00 -0.52 0.00 0.00 37.83 34.79 2kdg s LYS 297 CO -0.09 -0.25 0.09 -1.64 -0.92 0.00 0.00 175.35 172.54 2kdg s MET 298 N -2.10 0.50 0.08 1.68 -1.94 -1.26 -1.66 119.30 114.59 2kdg s MET 298 Ca 0.54 -0.70 0.02 0.00 -1.71 0.00 0.00 55.69 53.85 2kdg s MET 298 Cb -0.33 -1.75 -0.03 0.00 2.01 0.00 0.00 34.83 34.72 2kdg s MET 298 CO 0.42 -0.90 -0.07 0.96 -0.01 0.00 0.00 175.02 175.42 2kdg s ILE 299 N 1.85 0.67 0.28 2.53 -0.00 -1.09 -5.04 121.20 120.39 2kdg s ILE 299 Ca 0.07 -1.58 0.06 0.00 -0.00 0.00 0.00 60.65 59.19 2kdg s ILE 299 Cb -0.17 -1.25 -0.06 0.00 -0.00 0.00 0.00 42.46 40.99 2kdg s ILE 299 CO -0.24 -0.65 -0.04 0.68 -0.00 0.00 0.00 174.94 174.69 2kdg s VAL 300 N -2.65 1.51 0.02 8.37 -7.23 -1.26 -1.23 120.40 117.93 2kdg s VAL 300 Ca 0.03 -2.09 0.01 0.00 -1.81 0.00 0.00 61.98 58.12 2kdg s VAL 300 Cb -0.01 -2.48 -0.02 0.00 0.56 0.00 0.00 36.38 34.43 2kdg s VAL 300 CO -0.02 -0.27 -0.05 -0.55 -0.31 0.00 0.00 175.10 173.90 2kdg s SER 301 N -3.43 0.51 0.66 4.85 0.15 -0.22 -4.98 113.70 111.24 2kdg s SER 301 Ca 0.30 -0.38 0.37 0.00 0.70 0.00 0.00 55.95 56.95 2kdg s SER 301 Cb 0.05 0.03 2.05 0.00 -1.71 0.00 0.00 66.02 66.43 2kdg s SER 301 CO 0.12 -0.16 2.17 1.05 1.20 0.00 0.00 173.24 177.62 2kdg h GLU 302 N 5.04 0.00 0.00 5.44 4.11 -2.02 -2.30 114.58 124.86 2kdg h GLU 302 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.11 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 0.44 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.15 2kdg n LYS 303 N -3.06 0.62 -1.66 1.06 4.76 -1.26 -4.90 118.16 113.73 2kdg n LYS 303 Ca -0.02 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2kdg n LYS 303 Cb 0.22 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 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 0.51 0.55 2.96 0.72 0.00 -0.87 -5.00 105.19 104.06 2kdg n GLY 304 Ca 0.16 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.42 2.13 -0.05 0.99 2.96 -1.22 -1.42 118.68 120.64 2kdg s LEU 305 Ca 0.00 -0.33 0.03 0.00 -0.22 0.00 0.00 54.13 53.61 2kdg s LEU 305 Cb 0.00 0.10 0.01 0.00 0.50 0.00 0.00 46.19 46.80 2kdg s LEU 305 CO 0.00 -0.21 -0.12 -2.28 -1.32 0.00 0.00 176.35 172.42 2kdg s HIS 306 N -1.01 1.33 0.12 5.38 5.65 -0.11 -1.06 115.29 125.58 2kdg s HIS 306 Ca -0.11 -0.42 0.10 0.00 0.25 0.00 0.00 55.06 54.88 2kdg s HIS 306 Cb -0.07 -0.95 -0.04 0.00 -1.18 0.00 0.00 32.58 30.34 2kdg s HIS 306 CO -0.01 -0.19 -0.25 -1.12 -0.65 0.00 0.00 174.74 172.52 2kdg s SER 307 N 0.40 3.41 -0.18 9.88 0.01 -0.37 -1.13 113.70 125.72 2kdg s SER 307 Ca -0.09 -0.69 -0.03 0.00 1.31 0.00 0.00 55.95 56.45 2kdg s SER 307 Cb -0.13 -0.29 0.06 0.00 0.21 0.00 0.00 66.02 65.87 2kdg s SER 307 CO 0.02 0.19 0.05 -0.22 0.41 0.00 0.00 173.24 173.69 2kdg s LEU 308 N -1.96 0.92 0.21 2.44 1.98 -1.17 -2.69 118.68 118.41 2kdg s LEU 308 Ca 0.14 -0.75 -0.03 0.00 -2.89 0.00 0.00 54.13 50.61 2kdg s LEU 308 Cb -0.10 -0.49 -0.05 0.00 0.66 0.00 0.00 46.19 46.21 2kdg s LEU 308 CO 0.06 -0.32 0.43 -0.63 -1.89 0.00 0.00 176.35 174.01 2kdg s ILE 309 N 1.94 5.14 -0.24 6.68 1.09 -0.67 -1.07 121.20 134.08 2kdg s ILE 309 Ca 0.00 -0.14 -0.01 0.00 -1.10 0.00 0.00 60.65 59.41 2kdg s ILE 309 Cb -0.17 -3.70 0.07 0.00 -1.06 0.00 0.00 42.46 37.60 2kdg s ILE 309 CO -0.08 -0.16 0.01 -0.36 -0.10 0.00 0.00 174.94 174.25 2kdg s PHE 310 N -1.87 1.88 0.16 3.97 0.40 -0.02 -3.97 117.98 118.53 2kdg s PHE 310 Ca 0.41 -1.51 -0.13 0.00 -0.60 0.00 0.00 56.93 55.09 2kdg s PHE 310 Cb -0.11 -1.49 0.04 0.00 0.51 0.00 0.00 43.02 41.97 2kdg s PHE 310 CO 0.28 -0.75 1.69 0.93 0.70 0.00 0.00 175.22 178.07 2kdg h GLU 311 N 8.06 0.80 -1.75 0.44 4.39 -1.43 -1.58 114.58 123.50 2kdg h GLU 311 Ca -0.16 -0.16 -0.33 0.00 0.34 0.00 0.00 59.36 59.05 2kdg h GLU 311 Cb 1.07 -0.12 -0.28 0.00 -0.10 0.00 0.00 28.75 29.32 2kdg h GLU 311 CO 0.40 0.73 -0.67 0.54 -1.16 0.00 0.00 179.01 178.85 2kdg s VAL 312 N -5.45 -0.41 0.36 3.13 0.11 -1.25 -3.45 120.40 113.43 2kdg s VAL 312 Ca -0.13 -1.13 -0.28 0.00 -2.93 0.00 0.00 61.98 57.52 2kdg s VAL 312 Cb 0.12 -0.57 -0.10 0.00 -1.53 0.00 0.00 36.38 34.30 2kdg s VAL 312 CO 0.79 -0.53 1.29 0.54 -3.33 0.00 0.00 175.10 173.86 2kdg s VAL 313 N 1.18 2.74 0.20 2.04 0.11 -0.91 -4.83 120.40 120.92 2kdg s VAL 313 Ca 0.21 0.71 0.07 0.00 -2.93 0.00 0.00 61.98 60.04 2kdg s VAL 313 Cb -0.09 -3.44 -0.05 0.00 -1.53 0.00 0.00 36.38 31.28 2kdg s VAL 313 CO -0.06 0.14 -0.14 -0.13 -3.33 0.00 0.00 175.10 171.59 2kdg s ARG 314 N -1.96 1.31 0.44 1.54 1.81 -1.26 -0.89 118.95 119.94 2kdg s ARG 314 Ca 0.52 -1.58 0.17 0.00 -1.72 0.00 0.00 55.73 53.12 2kdg s ARG 314 Cb -0.38 -1.07 1.09 0.00 -0.45 0.00 0.00 34.95 34.14 2kdg s ARG 314 CO 0.50 0.17 1.92 0.00 -0.68 0.00 0.00 175.30 177.22 2kdg h ALA 315 N 2.58 2.16 0.00 2.13 0.00 -1.96 -0.41 119.26 123.76 2kdg h ALA 315 Ca -0.38 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 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 0.62 -0.37 0.00 0.77 0.00 0.00 0.00 179.25 180.28 2kdg h SER 316 N 0.37 0.00 0.76 0.00 0.02 -1.97 -2.79 113.55 109.94 2kdg h SER 316 Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 2kdg h SER 316 Cb 0.89 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.43 2kdg h SER 316 CO -0.11 0.00 -0.06 0.47 -1.14 0.00 0.00 176.83 176.00 2kdg n ASP 317 N -2.73 0.10 -4.76 3.07 8.00 -0.16 -4.91 116.55 115.15 2kdg n ASP 317 Ca -0.01 0.13 -0.38 0.00 0.71 0.00 0.00 54.79 55.24 2kdg n ASP 317 Cb 0.15 -0.32 0.03 0.00 -0.02 0.00 0.00 41.12 40.95 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 -2.82 2.87 0.00 2.24 0.00 -1.05 -4.91 121.76 118.09 2kdg s ALA 318 Ca 0.20 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.39 2kdg s ALA 318 Cb 0.19 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2kdg s ALA 318 CO 0.52 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 175.50 2kdg n GLY 319 N 0.65 0.42 3.52 0.00 0.00 -1.04 -5.00 105.19 103.75 2kdg n GLY 319 Ca 0.09 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.10 3.17 0.35 4.61 0.00 -1.26 -1.18 121.76 126.35 2kdg s ALA 320 Ca 0.00 -1.29 -0.15 0.00 0.00 0.00 0.00 51.96 50.52 2kdg s ALA 320 Cb 0.00 -3.73 -0.09 0.00 0.00 0.00 0.00 23.12 19.31 2kdg s ALA 320 CO 0.00 -2.39 0.77 0.71 0.00 0.00 0.00 175.76 174.86 2kdg s TYR 321 N 3.90 3.38 0.09 0.00 1.51 -0.26 -1.49 117.35 124.48 2kdg s TYR 321 Ca 0.29 1.25 -0.06 0.00 -1.01 0.00 0.00 57.07 57.54 2kdg s TYR 321 Cb -0.13 -2.57 -0.02 0.00 -0.11 0.00 0.00 41.96 39.13 2kdg s TYR 321 CO 0.18 0.03 0.13 0.00 -1.11 0.00 0.00 175.55 174.78 2kdg s ALA 322 N -2.08 0.07 -0.19 3.71 0.00 -0.42 -1.28 121.76 121.57 2kdg s ALA 322 Ca 0.55 -0.86 -0.04 0.00 0.00 0.00 0.00 51.96 51.61 2kdg s ALA 322 Cb -0.10 0.48 0.06 0.00 0.00 0.00 0.00 23.12 23.56 2kdg s ALA 322 CO 0.19 -0.48 0.08 0.00 0.00 0.00 0.00 175.76 175.55 2kdg s VAL 324 N 2.04 4.11 -0.15 0.00 1.01 -0.40 -1.18 120.40 125.82 2kdg s VAL 324 Ca 0.02 1.76 -0.01 0.00 0.00 0.00 0.00 61.98 63.74 2kdg s VAL 324 Cb -0.16 -4.12 0.04 0.00 0.00 0.00 0.00 36.38 32.14 2kdg s VAL 324 CO -0.11 0.28 -0.01 0.00 0.00 0.00 0.00 175.10 175.26 2kdg s ALA 325 N -0.04 1.15 -0.03 5.51 0.00 0.10 -0.94 121.76 127.51 2kdg s ALA 325 Ca 0.49 -0.63 0.03 0.00 0.00 0.00 0.00 51.96 51.86 2kdg s ALA 325 Cb -0.27 -1.06 -0.00 0.00 0.00 0.00 0.00 23.12 21.79 2kdg s ALA 325 CO 0.33 -0.85 -0.12 0.15 0.00 0.00 0.00 175.76 175.27 2kdg s LYS 326 N 1.78 1.23 0.38 0.00 1.02 -1.26 -0.92 119.74 121.97 2kdg s LYS 326 Ca 0.01 -0.43 0.05 0.00 0.02 0.00 0.00 55.97 55.62 2kdg s LYS 326 Cb -0.15 -1.13 -0.02 0.00 -0.52 0.00 0.00 37.83 36.01 2kdg s LYS 326 CO -0.07 0.19 0.18 0.27 -0.92 0.00 0.00 175.35 175.00 2kdg n ASN 327 N 3.13 0.68 0.00 2.83 0.23 -0.53 -0.88 115.26 120.72 2kdg n ASN 327 Ca -0.17 -3.14 0.02 0.00 -0.53 0.00 0.00 54.58 50.75 2kdg n ASN 327 Cb 0.54 1.19 0.07 0.00 -2.08 0.00 0.00 39.78 39.50 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 -0.82 0.00 -0.00 -3.83 1.85 -1.26 -2.73 116.66 109.86 2kdg n ARG 328 Ca -0.02 0.44 0.04 0.00 -1.00 0.00 0.00 57.85 57.32 2kdg n ARG 328 Cb 0.60 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.45 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 -1.50 2.65 0.00 2.89 0.00 -1.26 -5.09 120.51 118.20 2kdg n ALA 329 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2kdg n ALA 329 Cb 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 1.68 -1.17 2.99 0.00 0.00 -1.11 -4.40 105.19 103.19 2kdg n GLY 330 Ca -0.00 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.07 0.44 0.05 1.61 2.12 -1.26 -1.45 118.70 119.15 2kdg s GLU 331 Ca 0.00 -0.40 -0.01 0.00 0.36 0.00 0.00 54.97 54.92 2kdg s GLU 331 Cb 0.00 -0.34 -0.04 0.00 0.26 0.00 0.00 34.13 34.01 2kdg s GLU 331 CO 0.00 0.08 -0.02 0.00 -0.54 0.00 0.00 175.26 174.78 2kdg s ALA 332 N -0.61 0.50 -0.13 6.30 0.00 -0.10 -4.80 121.76 122.91 2kdg s ALA 332 Ca -0.03 -1.20 -0.04 0.00 0.00 0.00 0.00 51.96 50.69 2kdg s ALA 332 Cb -0.05 0.30 0.06 0.00 0.00 0.00 0.00 23.12 23.43 2kdg s ALA 332 CO 0.00 -0.38 0.19 0.99 0.00 0.00 0.00 175.76 176.56 2kdg s THR 333 N -3.92 -0.29 0.12 0.00 2.01 -1.26 -0.73 115.64 111.57 2kdg s THR 333 Ca 0.08 0.16 -0.02 0.00 0.31 0.00 0.00 61.69 62.22 2kdg s THR 333 Cb 0.08 -0.46 -0.05 0.00 0.01 0.00 0.00 72.50 72.09 2kdg s THR 333 CO -0.10 0.00 0.30 -0.36 -0.69 0.00 0.00 174.62 173.78 2kdg s PHE 334 N 2.31 3.50 -0.00 4.92 0.08 -0.33 -4.95 117.98 123.51 2kdg s PHE 334 Ca 0.04 0.36 -0.03 0.00 0.12 0.00 0.00 56.93 57.41 2kdg s PHE 334 Cb -0.13 -1.85 -0.00 0.00 -0.57 0.00 0.00 43.02 40.46 2kdg s PHE 334 CO -0.08 0.50 0.06 0.99 -0.10 0.00 0.00 175.22 176.59 2kdg s THR 335 N -1.63 0.06 0.31 0.64 2.01 -1.26 -0.92 115.64 114.85 2kdg s THR 335 Ca 0.38 -0.51 -0.11 0.00 0.31 0.00 0.00 61.69 61.76 2kdg s THR 335 Cb -0.12 -0.26 0.01 0.00 0.01 0.00 0.00 72.50 72.14 2kdg s THR 335 CO 0.27 -0.28 0.56 0.54 -0.69 0.00 0.00 174.62 175.03 2kdg s VAL 336 N -0.88 0.00 0.08 3.82 0.11 -0.40 -4.84 120.40 118.28 2kdg s VAL 336 Ca -0.10 -1.35 0.05 0.00 -2.93 0.00 0.00 61.98 57.66 2kdg s VAL 336 Cb -0.06 -2.47 -0.03 0.00 -1.53 0.00 0.00 36.38 32.29 2kdg s VAL 336 CO 0.00 0.00 -0.14 -1.58 -3.33 0.00 0.00 175.10 170.05 2kdg s GLN 337 N -3.33 0.85 -0.25 1.54 0.74 -1.26 -1.10 119.66 116.84 2kdg s GLN 337 Ca 0.23 -0.99 0.01 0.00 0.05 0.00 0.00 55.36 54.65 2kdg s GLN 337 Cb -0.02 -0.84 0.07 0.00 1.10 0.00 0.00 33.01 33.32 2kdg s GLN 337 CO 0.13 0.18 -0.04 -1.17 -0.55 0.00 0.00 175.29 173.85 2kdg s LEU 338 N -1.83 2.82 -1.18 3.68 2.96 -0.32 -2.16 118.68 122.64 2kdg s LEU 338 Ca -0.01 -1.32 -0.14 0.00 -0.22 0.00 0.00 54.13 52.45 2kdg s LEU 338 Cb -0.09 -1.23 0.17 0.00 0.50 0.00 0.00 46.19 45.55 2kdg s LEU 338 CO 0.02 -0.26 1.38 -1.81 -1.32 0.00 0.00 176.35 174.37 2kdg s ASP 339 N 1.34 7.05 -0.34 3.68 1.01 -0.03 -2.48 116.67 126.90 2kdg s ASP 339 Ca -0.03 -2.96 -0.28 0.00 0.71 0.00 0.00 52.55 49.99 2kdg s ASP 339 Cb -0.19 -2.39 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 2kdg s ASP 339 CO -0.08 -0.74 1.78 -0.69 0.21 0.00 0.00 175.17 175.65 2kdg s VAL 340 N 1.47 3.50 -0.78 -1.27 1.01 -1.26 -2.46 120.40 120.61 2kdg s VAL 340 Ca 0.41 0.50 -0.26 0.00 0.00 0.00 0.00 61.98 62.63 2kdg s VAL 340 Cb -0.03 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.68 2kdg s VAL 340 CO -0.01 -0.45 1.45 -0.76 0.00 0.00 0.00 175.10 175.33 2kdg s LEU 341 N 6.87 3.24 0.66 3.92 1.43 -0.02 -4.89 118.68 129.89 2kdg s LEU 341 Ca 0.78 -0.50 -0.18 0.00 -1.03 0.00 0.00 54.13 53.21 2kdg s LEU 341 Cb -0.22 -2.56 -0.01 0.00 0.03 0.00 0.00 46.19 43.44 2kdg s LEU 341 CO 0.33 -1.93 1.25 0.00 0.23 0.00 0.00 176.35 176.23 2kdg n ALA 342 N 10.17 0.95 -0.05 4.21 0.00 -1.26 -1.13 120.51 133.40 2kdg n ALA 342 Ca 0.14 -0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.43 2kdg n ALA 342 Cb 0.50 -2.30 -0.07 0.00 0.00 0.00 0.00 19.45 17.58 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 0.39 0.28 0.00 0.00 3.64 -1.94 -3.45 116.57 115.49 2kdg h LYS 343 Ca -0.50 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 58.77 2kdg h LYS 343 Cb 1.34 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2kdg h LYS 343 CO 0.52 0.57 0.00 0.39 -2.27 0.00 0.00 179.45 178.66