#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 1.19 0.24 4.61 0.00 -1.26 -5.10 121.76 121.44 2kdg s ALA -3 Ca 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 51.96 52.06 2kdg s ALA -3 Cb 0.00 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 2kdg s ALA -3 CO 0.00 -2.70 0.28 0.00 0.00 0.00 0.00 175.76 173.34 2kdg s MET -2 N -4.76 1.43 -0.06 0.00 0.23 -1.26 -5.04 119.30 109.83 2kdg s MET -2 Ca 0.65 -1.57 -0.31 0.00 -1.03 0.00 0.00 55.69 53.43 2kdg s MET -2 Cb -0.21 0.35 0.11 0.00 -1.53 0.00 0.00 34.83 33.56 2kdg s MET -2 CO 0.59 -0.53 1.36 0.20 -2.03 0.00 0.00 175.02 174.61 2kdg s GLY -1 N -3.15 -0.30 0.86 3.16 0.00 -0.18 -5.00 107.32 102.71 2kdg s GLY -1 Ca 0.34 0.41 -0.11 0.00 0.00 0.00 0.00 44.72 45.36 2kdg s GLY -1 CO 0.13 3.92 1.09 2.56 0.00 0.00 0.00 173.10 180.81 2kdg s PRO 249 N -2.07 1.51 0.97 2.90 0.04 -1.26 -2.37 135.00 134.73 2kdg s PRO 249 Ca 0.25 1.01 -0.12 0.00 0.04 0.00 0.00 61.00 62.17 2kdg s PRO 249 Cb 0.03 -1.82 0.17 0.00 0.04 0.00 0.00 34.50 32.92 2kdg s PRO 249 CO -0.04 -2.12 1.09 -1.25 0.04 0.00 0.00 177.00 174.73 2kdg s PRO 250 N -4.88 0.63 0.09 0.56 0.04 -1.26 -4.40 135.00 125.78 2kdg s PRO 250 Ca 0.63 0.60 0.03 0.00 0.04 0.00 0.00 61.00 62.30 2kdg s PRO 250 Cb -0.18 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 2kdg s PRO 250 CO 0.57 -2.61 -0.08 0.50 0.04 0.00 0.00 177.00 175.41 2kdg s ARG 251 N -4.95 0.80 -1.20 4.56 3.52 -1.24 -4.73 118.95 115.71 2kdg s ARG 251 Ca 0.65 -1.17 -0.05 0.00 -0.13 0.00 0.00 55.73 55.02 2kdg s ARG 251 Cb -0.18 -0.38 0.21 0.00 -1.56 0.00 0.00 34.95 33.04 2kdg s ARG 251 CO 0.57 0.04 1.96 1.19 -0.81 0.00 0.00 175.30 178.26 2kdg n PHE 252 N 0.44 2.64 0.14 5.12 3.01 -1.26 -4.46 117.46 123.10 2kdg n PHE 252 Ca -0.15 -2.71 -0.06 0.00 1.01 0.00 0.00 57.45 55.54 2kdg n PHE 252 Cb 0.58 -1.62 -0.03 0.00 -0.01 0.00 0.00 39.48 38.41 2kdg n PHE 252 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 2kdg h ILE 253 N 2.98 0.00 -3.34 4.37 5.03 -1.97 -3.49 117.51 121.09 2kdg h ILE 253 Ca 0.49 -0.13 -0.02 0.00 -0.12 0.00 0.00 64.86 65.08 2kdg h ILE 253 Cb 0.45 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 34.14 2kdg h ILE 253 CO 1.43 0.00 0.01 -1.58 -0.68 0.00 0.00 178.15 177.33 2kdg s GLN 254 N -3.22 1.39 0.16 2.37 0.74 -1.25 -5.05 119.66 114.80 2kdg s GLN 254 Ca -0.05 -0.90 0.03 0.00 0.05 0.00 0.00 55.36 54.49 2kdg s GLN 254 Cb 0.01 0.51 -0.05 0.00 1.10 0.00 0.00 33.01 34.58 2kdg s GLN 254 CO 0.16 -0.59 -0.05 0.14 -0.55 0.00 0.00 175.29 174.40 2kdg s VAL 255 N -3.88 0.96 0.77 1.34 -7.23 -1.26 -3.72 120.40 107.37 2kdg s VAL 255 Ca 0.10 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 58.14 2kdg s VAL 255 Cb -0.01 -1.97 0.05 0.00 0.56 0.00 0.00 36.38 35.01 2kdg s VAL 255 CO -0.02 -0.63 1.09 -2.16 -0.31 0.00 0.00 175.10 173.07 2kdg s PRO 256 N -3.82 2.32 0.95 4.82 0.04 -1.25 -5.02 135.00 133.03 2kdg s PRO 256 Ca 0.20 0.66 -0.12 0.00 0.04 0.00 0.00 61.00 61.77 2kdg s PRO 256 Cb 0.04 -1.94 0.16 0.00 0.04 0.00 0.00 34.50 32.80 2kdg s PRO 256 CO 0.02 -1.46 1.11 -1.83 0.04 0.00 0.00 177.00 174.88 2kdg s GLU 257 N -5.17 0.86 0.60 4.56 -1.05 -1.26 -4.87 118.70 112.37 2kdg s GLU 257 Ca 0.60 0.42 -0.19 0.00 -0.15 0.00 0.00 54.97 55.64 2kdg s GLU 257 Cb -0.14 -1.80 -0.03 0.00 -0.44 0.00 0.00 34.13 31.73 2kdg s GLU 257 CO 0.54 -2.41 1.30 0.54 0.95 0.00 0.00 175.26 176.18 2kdg s ASN 258 N -3.76 4.93 0.11 0.83 6.03 -1.26 -4.78 114.94 117.03 2kdg s ASN 258 Ca 0.64 2.63 0.05 0.00 -1.03 0.00 0.00 52.86 55.15 2kdg s ASN 258 Cb -0.16 -2.62 -0.04 0.00 -3.03 0.00 0.00 41.25 35.40 2kdg s ASN 258 CO 0.55 -1.79 -0.13 -0.04 -2.03 0.00 0.00 177.10 173.67 2kdg s MET 259 N -3.21 0.93 -0.28 3.55 -1.94 -0.34 -5.01 119.30 113.01 2kdg s MET 259 Ca 0.78 -1.16 -0.04 0.00 -1.71 0.00 0.00 55.69 53.56 2kdg s MET 259 Cb -0.37 -0.77 0.10 0.00 2.01 0.00 0.00 34.83 35.80 2kdg s MET 259 CO 0.41 0.14 0.14 -1.12 -0.01 0.00 0.00 175.02 174.58 2kdg s SER 260 N -2.33 3.30 -0.08 3.03 0.01 -1.26 -0.87 113.70 115.50 2kdg s SER 260 Ca 0.06 -1.18 0.04 0.00 1.31 0.00 0.00 55.95 56.17 2kdg s SER 260 Cb -0.05 -0.28 -0.01 0.00 0.21 0.00 0.00 66.02 65.88 2kdg s SER 260 CO 0.02 -0.43 -0.21 -0.63 0.41 0.00 0.00 173.24 172.41 2kdg s ILE 261 N 2.12 2.43 0.17 1.44 -1.09 -0.70 -4.92 121.20 120.65 2kdg s ILE 261 Ca 0.08 -0.92 -0.32 0.00 -2.23 0.00 0.00 60.65 57.27 2kdg s ILE 261 Cb -0.16 -1.93 -0.10 0.00 -1.58 0.00 0.00 42.46 38.69 2kdg s ILE 261 CO -0.34 0.56 1.57 -0.62 -1.23 0.00 0.00 174.94 174.89 2kdg s ASP 262 N -0.09 6.58 0.13 3.58 2.15 -1.26 -0.78 116.67 126.97 2kdg s ASP 262 Ca -0.05 2.63 -0.35 0.00 0.43 0.00 0.00 52.55 55.22 2kdg s ASP 262 Cb -0.14 -2.59 -0.15 0.00 -0.30 0.00 0.00 42.92 39.74 2kdg s ASP 262 CO 0.04 -0.83 1.51 1.21 -0.17 0.00 0.00 175.17 176.94 2kdg n GLU 263 N 3.95 1.85 0.00 4.34 2.13 -0.42 -2.76 120.64 129.74 2kdg n GLU 263 Ca 0.14 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.63 2kdg n GLU 263 Cb 0.38 -2.40 0.00 0.00 0.27 0.00 0.00 31.44 29.69 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 3.17 0.68 3.82 8.31 0.00 0.22 -4.89 105.19 116.51 2kdg n GLY 264 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.94 2.83 0.51 1.61 0.52 -1.11 -4.60 118.95 117.77 2kdg s ARG 265 Ca 0.00 0.85 -0.20 0.00 -0.52 0.00 0.00 55.73 55.85 2kdg s ARG 265 Cb 0.00 -1.99 -0.07 0.00 0.52 0.00 0.00 34.95 33.42 2kdg s ARG 265 CO 0.00 -1.15 1.12 0.12 0.02 0.00 0.00 175.30 175.41 2kdg s PHE 266 N -3.10 2.79 0.11 -0.53 5.36 -1.24 -2.07 117.98 119.31 2kdg s PHE 266 Ca 0.58 1.55 -0.12 0.00 -0.96 0.00 0.00 56.93 57.98 2kdg s PHE 266 Cb -0.14 -3.26 0.02 0.00 -0.34 0.00 0.00 43.02 39.30 2kdg s PHE 266 CO 0.55 -1.39 0.30 0.00 -1.46 0.00 0.00 175.22 173.22 2kdg s ARG 268 N -3.84 1.40 0.23 0.00 1.70 -1.26 -0.61 118.95 116.57 2kdg s ARG 268 Ca 0.05 -1.13 0.02 0.00 -0.47 0.00 0.00 55.73 54.20 2kdg s ARG 268 Cb 0.03 0.46 -0.05 0.00 -0.57 0.00 0.00 34.95 34.82 2kdg s ARG 268 CO -0.11 -0.57 0.03 -1.64 -1.08 0.00 0.00 175.30 171.94 2kdg s MET 269 N -3.97 1.33 -0.21 3.89 -1.94 -0.19 -5.00 119.30 113.21 2kdg s MET 269 Ca 0.18 -1.69 -0.03 0.00 -1.71 0.00 0.00 55.69 52.44 2kdg s MET 269 Cb 0.00 -0.43 0.07 0.00 2.01 0.00 0.00 34.83 36.48 2kdg s MET 269 CO 0.04 -0.18 0.05 -0.51 -0.01 0.00 0.00 175.02 174.41 2kdg s ASP 270 N -3.29 3.07 -0.26 3.03 1.01 -1.26 -3.52 116.67 115.46 2kdg s ASP 270 Ca 0.31 -0.94 0.01 0.00 0.71 0.00 0.00 52.55 52.63 2kdg s ASP 270 Cb 0.07 -0.61 0.05 0.00 1.01 0.00 0.00 42.92 43.43 2kdg s ASP 270 CO 0.10 -0.33 -0.08 -0.36 0.21 0.00 0.00 175.17 174.71 2kdg s PHE 271 N 1.84 3.17 -0.41 4.23 0.40 -0.49 -3.88 117.98 122.84 2kdg s PHE 271 Ca 0.01 -1.98 -0.28 0.00 -0.60 0.00 0.00 56.93 54.08 2kdg s PHE 271 Cb -0.17 -2.00 -0.00 0.00 0.51 0.00 0.00 43.02 41.36 2kdg s PHE 271 CO -0.11 -0.82 1.60 0.15 0.70 0.00 0.00 175.22 176.74 2kdg s LYS 272 N 1.21 3.37 0.11 0.44 1.02 -1.24 -0.66 119.74 123.98 2kdg s LYS 272 Ca -0.05 1.04 0.09 0.00 0.02 0.00 0.00 55.97 57.08 2kdg s LYS 272 Cb -0.18 -4.14 -0.04 0.00 -0.52 0.00 0.00 37.83 32.95 2kdg s LYS 272 CO -0.05 -1.83 -0.21 0.08 -0.92 0.00 0.00 175.35 172.42 2kdg s VAL 273 N 6.39 2.62 0.28 3.17 1.01 -1.02 -3.78 120.40 129.07 2kdg s VAL 273 Ca 0.68 -1.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 2kdg s VAL 273 Cb -0.17 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.04 2kdg s VAL 273 CO 0.31 0.13 0.38 -0.24 0.00 0.00 0.00 175.10 175.68 2kdg n SER 274 N 0.94 -1.05 0.00 3.32 2.88 -1.26 -4.44 113.62 114.01 2kdg n SER 274 Ca -0.16 -2.51 0.00 0.00 -1.33 0.00 0.00 58.87 54.87 2kdg n SER 274 Cb 0.53 1.97 0.00 0.00 -0.75 0.00 0.00 64.21 65.96 2kdg n SER 274 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kdg n GLY 275 N -0.46 3.25 2.92 0.46 0.00 -1.26 -3.68 105.19 106.41 2kdg n GLY 275 Ca 0.01 -1.95 -0.15 0.00 0.00 0.00 0.00 46.02 43.93 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 0.05 1.02 0.99 2.96 -1.00 -4.15 118.68 118.55 2kdg s LEU 276 Ca 0.00 0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 54.20 2kdg s LEU 276 Cb 0.00 0.45 0.20 0.00 0.50 0.00 0.00 46.19 47.34 2kdg s LEU 276 CO 0.00 -0.22 1.08 -2.16 -1.32 0.00 0.00 176.35 173.73 2kdg s PRO 277 N 2.03 0.21 0.10 0.98 0.04 -1.26 -1.01 135.00 136.08 2kdg s PRO 277 Ca -0.01 0.74 -0.33 0.00 0.04 0.00 0.00 61.00 61.45 2kdg s PRO 277 Cb -0.12 -1.69 -0.12 0.00 0.04 0.00 0.00 34.50 32.61 2kdg s PRO 277 CO -0.07 -2.94 1.75 0.00 0.04 0.00 0.00 177.00 175.79 2kdg n ALA 278 N -4.35 1.67 -1.78 8.56 0.00 -1.26 -4.84 120.51 118.51 2kdg n ALA 278 Ca 0.05 0.36 -0.35 0.00 0.00 0.00 0.00 53.44 53.50 2kdg n ALA 278 Cb 0.56 -2.49 -0.00 0.00 0.00 0.00 0.00 19.45 17.51 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 2.31 3.43 0.51 0.00 0.04 -1.26 -4.90 135.00 135.13 2kdg s PRO 279 Ca 0.83 1.58 -0.19 0.00 0.04 0.00 0.00 61.00 63.26 2kdg s PRO 279 Cb -0.59 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 31.84 2kdg s PRO 279 CO 0.40 -0.78 1.05 0.34 0.04 0.00 0.00 177.00 178.05 2kdg s ASP 280 N -1.79 6.20 -0.02 6.66 2.15 0.04 -4.81 116.67 125.12 2kdg s ASP 280 Ca 0.72 1.91 0.03 0.00 0.43 0.00 0.00 52.55 55.64 2kdg s ASP 280 Cb -0.23 -2.55 -0.00 0.00 -0.30 0.00 0.00 42.92 39.83 2kdg s ASP 280 CO 0.26 -0.88 -0.11 -0.69 -0.17 0.00 0.00 175.17 173.59 2kdg s VAL 281 N -2.08 0.86 -0.14 1.11 1.01 -1.26 -1.04 120.40 118.85 2kdg s VAL 281 Ca 0.67 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 2kdg s VAL 281 Cb -0.16 -0.73 0.04 0.00 0.00 0.00 0.00 36.38 35.52 2kdg s VAL 281 CO 0.24 0.25 -0.01 -0.44 0.00 0.00 0.00 175.10 175.14 2kdg s SER 282 N -0.10 2.45 0.48 3.32 0.01 -0.26 -5.02 113.70 114.58 2kdg s SER 282 Ca 0.02 -0.52 -0.07 0.00 1.31 0.00 0.00 55.95 56.69 2kdg s SER 282 Cb -0.06 -0.67 -0.04 0.00 0.21 0.00 0.00 66.02 65.46 2kdg s SER 282 CO -0.00 -0.22 0.80 0.26 0.41 0.00 0.00 173.24 174.49 2kdg s TRP 283 N 1.81 3.55 0.07 2.43 0.52 -1.23 -1.21 118.94 124.88 2kdg s TRP 283 Ca 0.02 0.90 -0.06 0.00 0.02 0.00 0.00 56.10 56.98 2kdg s TRP 283 Cb -0.15 -2.37 -0.01 0.00 -1.15 0.00 0.00 33.47 29.79 2kdg s TRP 283 CO -0.07 -0.27 0.12 0.71 0.02 0.00 0.00 176.95 177.45 2kdg s TYR 284 N -2.70 0.27 -0.13 -1.98 1.51 0.21 -0.92 117.35 113.61 2kdg s TYR 284 Ca 0.49 -0.73 -0.04 0.00 -1.01 0.00 0.00 57.07 55.77 2kdg s TYR 284 Cb -0.10 -0.17 0.07 0.00 -0.11 0.00 0.00 41.96 41.65 2kdg s TYR 284 CO 0.43 -0.49 0.23 -1.17 -1.11 0.00 0.00 175.55 173.44 2kdg s LEU 285 N -2.86 -0.21 -0.82 -1.29 2.96 0.02 -1.40 118.68 115.08 2kdg s LEU 285 Ca 0.05 0.37 0.00 0.00 -0.22 0.00 0.00 54.13 54.34 2kdg s LEU 285 Cb 0.06 0.53 0.00 0.00 0.50 0.00 0.00 46.19 47.28 2kdg s LEU 285 CO -0.11 -0.26 0.00 0.59 -1.32 0.00 0.00 176.35 175.26 2kdg n ASN 286 N 5.34 -4.29 0.00 3.68 3.02 -0.32 -1.47 115.26 121.21 2kdg n ASN 286 Ca -0.05 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 2kdg n ASN 286 Cb 0.50 -3.24 0.00 0.00 -0.61 0.00 0.00 39.78 36.43 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 0.23 1.58 3.86 7.41 0.00 -1.26 -5.07 105.19 111.94 2kdg n GLY 287 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.56 3.81 0.64 1.61 0.52 -0.54 -5.09 118.95 119.33 2kdg s ARG 288 Ca 0.00 0.65 -0.15 0.00 -0.52 0.00 0.00 55.73 55.71 2kdg s ARG 288 Cb 0.00 -2.27 -0.01 0.00 0.52 0.00 0.00 34.95 33.19 2kdg s ARG 288 CO 0.00 -0.19 1.09 0.95 0.02 0.00 0.00 175.30 177.17 2kdg s THR 289 N -2.57 3.46 -0.02 0.02 -4.23 -1.26 -0.80 115.64 110.25 2kdg s THR 289 Ca 0.54 0.67 0.01 0.00 -1.18 0.00 0.00 61.69 61.74 2kdg s THR 289 Cb -0.10 -3.20 0.01 0.00 1.34 0.00 0.00 72.50 70.54 2kdg s THR 289 CO 0.34 -0.43 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.27 2kdg s VAL 290 N -2.41 0.33 0.33 2.29 1.01 -0.10 -4.68 120.40 117.17 2kdg s VAL 290 Ca 0.65 -0.11 0.10 0.00 0.00 0.00 0.00 61.98 62.63 2kdg s VAL 290 Cb -0.19 -0.32 -0.06 0.00 0.00 0.00 0.00 36.38 35.81 2kdg s VAL 290 CO 0.41 0.13 -0.09 -1.10 0.00 0.00 0.00 175.10 174.44 2kdg s GLN 291 N 0.32 1.86 0.64 2.72 -1.52 -1.26 -3.50 119.66 118.92 2kdg s GLN 291 Ca -0.03 -1.86 -0.17 0.00 -1.95 0.00 0.00 55.36 51.35 2kdg s GLN 291 Cb -0.07 -1.77 -0.01 0.00 -0.22 0.00 0.00 33.01 30.95 2kdg s GLN 291 CO -0.00 0.18 1.16 -1.54 -0.25 0.00 0.00 175.29 174.83 2kdg s SER 292 N -3.61 5.01 0.22 5.90 1.04 -1.26 -4.96 113.70 116.03 2kdg s SER 292 Ca 0.32 2.21 -0.13 0.00 0.48 0.00 0.00 55.95 58.83 2kdg s SER 292 Cb 0.01 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2kdg s SER 292 CO 0.17 -1.71 0.45 -0.62 0.98 0.00 0.00 173.24 172.52 2kdg s ASP 293 N -2.07 -0.10 0.40 7.02 2.15 -0.60 -4.96 116.67 118.50 2kdg s ASP 293 Ca 0.72 -0.82 0.10 0.00 0.43 0.00 0.00 52.55 52.99 2kdg s ASP 293 Cb -0.25 0.56 0.90 0.00 -0.30 0.00 0.00 42.92 43.83 2kdg s ASP 293 CO 0.38 -1.08 1.96 -0.78 -0.17 0.00 0.00 175.17 175.48 2kdg h ASP 294 N 2.29 0.50 0.99 -0.34 3.58 -2.01 -1.72 116.42 119.71 2kdg h ASP 294 Ca -0.28 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.18 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 0.38 0.31 -0.37 0.18 -2.88 0.00 0.00 179.24 176.86 2kdg n LEU 295 N -4.48 0.62 -3.24 2.28 4.77 -1.26 -4.56 117.00 111.12 2kdg n LEU 295 Ca 0.11 0.32 -0.25 0.00 -0.03 0.00 0.00 56.01 56.16 2kdg n LEU 295 Cb 0.32 -0.27 -0.07 0.00 -2.33 0.00 0.00 43.42 41.07 2kdg n LEU 295 CO 0.33 -0.05 -0.23 1.41 -1.33 0.00 0.00 177.39 177.52 2kdg n HIS 296 N -1.99 0.40 -2.27 -1.77 8.25 -0.66 -0.96 115.22 116.23 2kdg n HIS 296 Ca 0.05 -3.67 -0.38 0.00 -0.26 0.00 0.00 57.72 53.46 2kdg n HIS 296 Cb 0.41 -0.37 -0.01 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 -1.40 3.89 -0.27 -0.41 1.02 -1.12 -1.55 119.74 119.90 2kdg s LYS 297 Ca 0.36 1.81 -0.04 0.00 0.02 0.00 0.00 55.97 58.12 2kdg s LYS 297 Cb 0.16 -2.53 0.09 0.00 -0.52 0.00 0.00 37.83 35.03 2kdg s LYS 297 CO -0.09 -0.45 0.12 -1.64 -0.92 0.00 0.00 175.35 172.37 2kdg s MET 298 N -2.51 0.21 0.12 1.68 -1.94 -1.26 -2.02 119.30 113.58 2kdg s MET 298 Ca 0.61 -0.49 0.01 0.00 -1.71 0.00 0.00 55.69 54.11 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 0.37 -0.96 -0.02 0.96 -0.01 0.00 0.00 175.02 175.36 2kdg s ILE 299 N 2.07 0.57 -0.02 2.53 -0.00 -1.06 -5.04 121.20 120.25 2kdg s ILE 299 Ca 0.08 -1.94 0.01 0.00 -0.00 0.00 0.00 60.65 58.80 2kdg s ILE 299 Cb -0.16 -1.87 0.01 0.00 -0.00 0.00 0.00 42.46 40.44 2kdg s ILE 299 CO -0.31 -0.69 -0.03 0.54 -0.00 0.00 0.00 174.94 174.45 2kdg s VAL 300 N -3.72 0.30 0.84 8.37 0.11 -1.26 -0.85 120.40 124.19 2kdg s VAL 300 Ca 0.17 -0.07 -0.10 0.00 -2.93 0.00 0.00 61.98 59.05 2kdg s VAL 300 Cb 0.06 -0.32 0.10 0.00 -1.53 0.00 0.00 36.38 34.69 2kdg s VAL 300 CO -0.01 0.13 1.12 -0.55 -3.33 0.00 0.00 175.10 172.46 2kdg s SER 301 N 0.47 3.74 0.46 3.54 0.15 -0.34 -4.92 113.70 116.80 2kdg s SER 301 Ca -0.05 2.01 0.22 0.00 0.70 0.00 0.00 55.95 58.83 2kdg s SER 301 Cb -0.08 -2.54 1.21 0.00 -1.71 0.00 0.00 66.02 62.90 2kdg s SER 301 CO -0.01 -2.55 1.88 -0.08 1.20 0.00 0.00 173.24 173.68 2kdg h GLU 302 N -1.47 0.26 -0.00 5.44 4.81 -2.02 -1.60 114.58 119.99 2kdg h GLU 302 Ca -0.43 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2kdg h GLU 302 Cb 1.25 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2kdg h GLU 302 CO 0.47 0.17 -0.03 1.63 -0.73 0.00 0.00 179.01 180.51 2kdg n LYS 303 N -4.43 0.71 -0.32 1.92 4.01 -1.26 -4.93 118.16 113.85 2kdg n LYS 303 Ca 0.18 -0.11 0.00 0.00 -0.51 0.00 0.00 58.31 57.87 2kdg n LYS 303 Cb 0.74 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.77 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 1.20 0.99 3.59 0.72 0.00 -0.60 -4.94 105.19 106.15 2kdg n GLY 304 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 3.46 -0.15 0.99 2.96 -1.26 -2.44 118.68 122.23 2kdg s LEU 305 Ca 0.00 1.12 -0.25 0.00 -0.22 0.00 0.00 54.13 54.78 2kdg s LEU 305 Cb 0.00 -3.28 -0.02 0.00 0.50 0.00 0.00 46.19 43.39 2kdg s LEU 305 CO 0.00 -1.88 0.81 -2.28 -1.32 0.00 0.00 176.35 171.67 2kdg s HIS 306 N 7.52 3.44 -0.14 5.38 5.65 0.17 -1.20 115.29 136.11 2kdg s HIS 306 Ca 0.78 1.25 -0.11 0.00 0.25 0.00 0.00 55.06 57.23 2kdg s HIS 306 Cb -0.20 -2.98 -0.05 0.00 -1.18 0.00 0.00 32.58 28.17 2kdg s HIS 306 CO 0.31 -0.19 0.23 -1.12 -0.65 0.00 0.00 174.74 173.32 2kdg s SER 307 N 1.11 6.42 -0.13 9.88 0.01 -0.03 -1.40 113.70 129.56 2kdg s SER 307 Ca 0.38 0.49 0.02 0.00 1.31 0.00 0.00 55.95 58.15 2kdg s SER 307 Cb -0.17 -2.14 0.02 0.00 0.21 0.00 0.00 66.02 63.94 2kdg s SER 307 CO 0.13 0.23 -0.17 -0.22 0.41 0.00 0.00 173.24 173.62 2kdg s LEU 308 N -0.17 1.86 0.17 2.44 1.98 -1.23 -2.57 118.68 121.16 2kdg s LEU 308 Ca 0.15 -0.51 0.10 0.00 -2.89 0.00 0.00 54.13 50.98 2kdg s LEU 308 Cb -0.13 -1.25 -0.04 0.00 0.66 0.00 0.00 46.19 45.43 2kdg s LEU 308 CO 0.04 0.02 -0.23 -0.63 -1.89 0.00 0.00 176.35 173.66 2kdg s ILE 309 N 1.08 2.14 -0.22 6.68 1.01 -0.86 -1.02 121.20 130.01 2kdg s ILE 309 Ca -0.03 -1.93 -0.02 0.00 0.00 0.00 0.00 60.65 58.68 2kdg s ILE 309 Cb -0.14 -1.98 0.07 0.00 0.01 0.00 0.00 42.46 40.41 2kdg s ILE 309 CO -0.05 -0.14 0.03 -0.36 0.00 0.00 0.00 174.94 174.42 2kdg s PHE 310 N -1.65 1.44 0.20 3.97 0.40 0.22 -3.74 117.98 118.82 2kdg s PHE 310 Ca 0.17 -1.21 -0.07 0.00 -0.60 0.00 0.00 56.93 55.23 2kdg s PHE 310 Cb -0.08 -1.27 0.14 0.00 0.51 0.00 0.00 43.02 42.32 2kdg s PHE 310 CO 0.08 -0.69 1.65 0.93 0.70 0.00 0.00 175.22 177.88 2kdg h GLU 311 N 8.15 0.94 -1.65 0.44 4.39 -1.30 -0.26 114.58 125.30 2kdg h GLU 311 Ca -0.16 -0.32 -0.28 0.00 0.34 0.00 0.00 59.36 58.94 2kdg h GLU 311 Cb 1.09 -0.07 -0.27 0.00 -0.10 0.00 0.00 28.75 29.40 2kdg h GLU 311 CO 0.38 0.98 -0.62 0.54 -1.16 0.00 0.00 179.01 179.13 2kdg s VAL 312 N -4.86 -0.53 0.31 3.13 0.11 -1.25 -3.70 120.40 113.61 2kdg s VAL 312 Ca -0.11 -0.75 -0.29 0.00 -2.93 0.00 0.00 61.98 57.91 2kdg s VAL 312 Cb 0.13 -0.46 -0.10 0.00 -1.53 0.00 0.00 36.38 34.43 2kdg s VAL 312 CO 0.85 -0.41 1.18 0.54 -3.33 0.00 0.00 175.10 173.92 2kdg s VAL 313 N 1.48 3.18 0.20 2.04 0.11 -0.88 -4.85 120.40 121.69 2kdg s VAL 313 Ca 0.18 1.17 0.05 0.00 -2.93 0.00 0.00 61.98 60.45 2kdg s VAL 313 Cb -0.11 -3.73 -0.05 0.00 -1.53 0.00 0.00 36.38 30.96 2kdg s VAL 313 CO -0.04 0.26 -0.08 -0.13 -3.33 0.00 0.00 175.10 171.78 2kdg s ARG 314 N -1.68 1.28 0.41 1.54 1.81 -1.26 -0.61 118.95 120.44 2kdg s ARG 314 Ca 0.48 -1.60 0.15 0.00 -1.72 0.00 0.00 55.73 53.04 2kdg s ARG 314 Cb -0.34 -0.82 1.03 0.00 -0.45 0.00 0.00 34.95 34.36 2kdg s ARG 314 CO 0.45 0.05 1.88 0.00 -0.68 0.00 0.00 175.30 176.99 2kdg h ALA 315 N 2.56 2.11 0.00 2.13 0.00 -1.95 -0.51 119.26 123.60 2kdg h ALA 315 Ca -0.38 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2kdg h ALA 315 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2kdg h ALA 315 CO 0.64 -0.36 0.00 0.77 0.00 0.00 0.00 179.25 180.30 2kdg h SER 316 N 0.46 0.00 0.60 0.00 0.02 -1.97 -2.90 113.55 109.75 2kdg h SER 316 Ca 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 2kdg h SER 316 Cb 0.99 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.53 2kdg h SER 316 CO -0.16 0.00 -0.10 0.47 -1.14 0.00 0.00 176.83 175.89 2kdg n ASP 317 N -2.74 0.23 -4.76 3.07 8.00 -0.20 -4.94 116.55 115.22 2kdg n ASP 317 Ca -0.01 -0.15 -0.37 0.00 0.71 0.00 0.00 54.79 54.98 2kdg n ASP 317 Cb 0.17 -0.20 0.02 0.00 -0.02 0.00 0.00 41.12 41.09 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 -2.70 2.77 0.00 2.24 0.00 -1.10 -4.96 121.76 118.01 2kdg s ALA 318 Ca 0.23 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.24 2kdg s ALA 318 Cb 0.20 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.86 2kdg s ALA 318 CO 0.51 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.67 2kdg n GLY 319 N 0.52 0.77 3.55 0.00 0.00 -0.30 -4.98 105.19 104.75 2kdg n GLY 319 Ca 0.11 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.02 2.97 0.44 4.61 0.00 -1.26 -1.26 121.76 126.24 2kdg s ALA 320 Ca 0.00 -1.10 -0.19 0.00 0.00 0.00 0.00 51.96 50.67 2kdg s ALA 320 Cb 0.00 -4.03 -0.10 0.00 0.00 0.00 0.00 23.12 18.99 2kdg s ALA 320 CO 0.00 -2.78 0.93 0.71 0.00 0.00 0.00 175.76 174.62 2kdg s TYR 321 N 4.91 3.35 0.07 0.00 1.51 -0.03 -1.18 117.35 125.99 2kdg s TYR 321 Ca 0.37 1.52 -0.02 0.00 -1.01 0.00 0.00 57.07 57.93 2kdg s TYR 321 Cb -0.09 -2.79 -0.04 0.00 -0.11 0.00 0.00 41.96 38.93 2kdg s TYR 321 CO 0.21 -0.14 0.02 0.00 -1.11 0.00 0.00 175.55 174.52 2kdg s ALA 322 N -2.26 0.49 -0.24 3.71 0.00 -0.49 -1.70 121.76 121.27 2kdg s ALA 322 Ca 0.60 -1.19 -0.04 0.00 0.00 0.00 0.00 51.96 51.33 2kdg s ALA 322 Cb -0.09 0.43 0.09 0.00 0.00 0.00 0.00 23.12 23.54 2kdg s ALA 322 CO 0.18 -0.41 0.15 0.00 0.00 0.00 0.00 175.76 175.67 2kdg s VAL 324 N 2.17 5.12 -0.10 0.00 1.01 -0.35 -0.95 120.40 127.30 2kdg s VAL 324 Ca 0.06 1.06 0.02 0.00 0.00 0.00 0.00 61.98 63.13 2kdg s VAL 324 Cb -0.16 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.37 2kdg s VAL 324 CO -0.24 0.34 -0.16 0.00 0.00 0.00 0.00 175.10 175.05 2kdg s ALA 325 N 0.47 1.69 -0.02 5.51 0.00 -0.01 -1.10 121.76 128.29 2kdg s ALA 325 Ca 0.28 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.54 2kdg s ALA 325 Cb -0.16 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.16 2kdg s ALA 325 CO 0.13 -0.03 -0.06 0.15 0.00 0.00 0.00 175.76 175.94 2kdg s LYS 326 N 0.91 0.70 0.36 0.00 1.02 -0.21 -0.98 119.74 121.54 2kdg s LYS 326 Ca -0.08 -0.19 0.03 0.00 0.02 0.00 0.00 55.97 55.75 2kdg s LYS 326 Cb -0.15 -0.69 -0.01 0.00 -0.52 0.00 0.00 37.83 36.45 2kdg s LYS 326 CO -0.00 0.05 0.12 0.27 -0.92 0.00 0.00 175.35 174.87 2kdg n ASN 327 N 3.40 1.30 0.08 2.83 0.23 -0.53 -0.78 115.26 121.80 2kdg n ASN 327 Ca -0.19 -2.87 0.06 0.00 -0.53 0.00 0.00 54.58 51.04 2kdg n ASN 327 Cb 0.54 0.86 0.29 0.00 -2.08 0.00 0.00 39.78 39.40 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 0.07 -0.00 -3.83 1.85 -1.26 -2.77 116.66 109.91 2kdg n ARG 328 Ca -0.06 0.57 0.03 0.00 -1.00 0.00 0.00 57.85 57.39 2kdg n ARG 328 Cb 0.53 -1.73 -0.04 0.00 -1.05 0.00 0.00 32.46 30.17 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 -1.64 2.51 0.00 2.89 0.00 -1.26 -5.08 120.51 117.93 2kdg n ALA 329 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2kdg n ALA 329 Cb 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.27 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 1.58 -1.33 3.03 0.00 0.00 -1.11 -4.50 105.19 102.85 2kdg n GLY 330 Ca 0.00 -1.01 -0.16 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.00 0.57 0.13 1.61 2.12 -1.26 -1.45 118.70 119.43 2kdg s GLU 331 Ca 0.00 -0.49 0.01 0.00 0.36 0.00 0.00 54.97 54.85 2kdg s GLU 331 Cb 0.00 -0.49 -0.04 0.00 0.26 0.00 0.00 34.13 33.86 2kdg s GLU 331 CO 0.00 0.12 -0.00 0.00 -0.54 0.00 0.00 175.26 174.84 2kdg s ALA 332 N -0.68 1.04 -0.03 6.30 0.00 -0.15 -4.81 121.76 123.43 2kdg s ALA 332 Ca -0.02 -1.46 -0.03 0.00 0.00 0.00 0.00 51.96 50.45 2kdg s ALA 332 Cb -0.06 0.51 0.01 0.00 0.00 0.00 0.00 23.12 23.58 2kdg s ALA 332 CO 0.00 -0.35 0.08 0.99 0.00 0.00 0.00 175.76 176.48 2kdg s THR 333 N -3.78 0.00 0.16 0.00 2.01 -1.26 -0.83 115.64 111.95 2kdg s THR 333 Ca 0.19 -0.04 0.07 0.00 0.31 0.00 0.00 61.69 62.23 2kdg s THR 333 Cb 0.06 -0.13 -0.04 0.00 0.01 0.00 0.00 72.50 72.40 2kdg s THR 333 CO -0.00 -0.02 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.39 2kdg s PHE 334 N -0.02 1.65 -0.02 4.92 0.40 -0.12 -4.96 117.98 119.83 2kdg s PHE 334 Ca -0.01 -0.54 -0.08 0.00 -0.60 0.00 0.00 56.93 55.71 2kdg s PHE 334 Cb -0.01 -0.82 0.01 0.00 0.51 0.00 0.00 43.02 42.71 2kdg s PHE 334 CO 0.00 0.28 0.17 0.99 0.70 0.00 0.00 175.22 177.36 2kdg s THR 335 N -2.40 0.05 0.14 0.64 2.01 -1.26 -0.82 115.64 114.00 2kdg s THR 335 Ca 0.16 -0.44 -0.14 0.00 0.31 0.00 0.00 61.69 61.58 2kdg s THR 335 Cb -0.04 -0.39 0.02 0.00 0.01 0.00 0.00 72.50 72.10 2kdg s THR 335 CO 0.05 -0.24 0.36 0.54 -0.69 0.00 0.00 174.62 174.64 2kdg s VAL 336 N -0.89 0.08 -0.13 3.82 0.11 -0.69 -4.79 120.40 117.92 2kdg s VAL 336 Ca -0.10 -0.87 0.01 0.00 -2.93 0.00 0.00 61.98 58.10 2kdg s VAL 336 Cb -0.05 -1.38 -0.01 0.00 -1.53 0.00 0.00 36.38 33.41 2kdg s VAL 336 CO 0.01 -0.35 -0.17 -1.58 -3.33 0.00 0.00 175.10 169.68 2kdg s GLN 337 N -3.85 3.22 -0.32 1.54 0.74 -1.26 -0.85 119.66 118.88 2kdg s GLN 337 Ca 0.07 -0.77 0.02 0.00 0.05 0.00 0.00 55.36 54.73 2kdg s GLN 337 Cb 0.02 -2.52 0.08 0.00 1.10 0.00 0.00 33.01 31.69 2kdg s GLN 337 CO -0.08 0.14 0.02 -1.17 -0.55 0.00 0.00 175.29 173.64 2kdg s LEU 338 N 0.49 4.33 0.22 3.68 2.96 -0.39 -1.19 118.68 128.79 2kdg s LEU 338 Ca -0.12 -1.81 -0.30 0.00 -0.22 0.00 0.00 54.13 51.68 2kdg s LEU 338 Cb -0.16 -1.64 -0.09 0.00 0.50 0.00 0.00 46.19 44.80 2kdg s LEU 338 CO 0.05 -0.33 1.00 -0.62 -1.32 0.00 0.00 176.35 175.13 2kdg s ASP 339 N 1.11 7.48 -0.32 3.68 2.15 -0.05 -1.15 116.67 129.57 2kdg s ASP 339 Ca 0.03 2.03 0.01 0.00 0.43 0.00 0.00 52.55 55.04 2kdg s ASP 339 Cb -0.20 -2.61 0.08 0.00 -0.30 0.00 0.00 42.92 39.89 2kdg s ASP 339 CO -0.06 0.01 0.03 -0.69 -0.17 0.00 0.00 175.17 174.29 2kdg s VAL 340 N -0.90 2.67 -0.65 1.11 1.01 -1.26 -1.72 120.40 120.67 2kdg s VAL 340 Ca 0.44 -1.85 -0.26 0.00 0.00 0.00 0.00 61.98 60.31 2kdg s VAL 340 Cb -0.28 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 2kdg s VAL 340 CO 0.34 -0.35 2.00 -0.76 0.00 0.00 0.00 175.10 176.34 2kdg s LEU 341 N 1.10 3.27 0.77 3.92 1.43 0.04 -4.79 118.68 124.41 2kdg s LEU 341 Ca 0.01 0.27 -0.14 0.00 -1.03 0.00 0.00 54.13 53.24 2kdg s LEU 341 Cb -0.20 -2.53 0.06 0.00 0.03 0.00 0.00 46.19 43.55 2kdg s LEU 341 CO -0.04 -2.61 1.20 0.00 0.23 0.00 0.00 176.35 175.13 2kdg s ALA 342 N 10.11 1.97 -0.06 4.21 0.00 -1.26 -1.30 121.76 135.42 2kdg s ALA 342 Ca 0.74 0.84 0.09 0.00 0.00 0.00 0.00 51.96 53.63 2kdg s ALA 342 Cb -0.12 -3.48 0.13 0.00 0.00 0.00 0.00 23.12 19.65 2kdg s ALA 342 CO 0.17 -2.10 1.04 1.17 0.00 0.00 0.00 175.76 176.03 2kdg n LYS 343 N -3.06 1.83 0.00 0.00 4.81 -1.26 -4.85 118.16 115.62 2kdg n LYS 343 Ca 0.13 -1.90 0.00 0.00 -0.87 0.00 0.00 58.31 55.68 2kdg n LYS 343 Cb 0.50 -1.16 0.00 0.00 0.02 0.00 0.00 35.03 34.39 2kdg n LYS 343 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72