#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 1.24 0.32 4.61 0.00 -1.26 -5.10 121.76 121.56 2kdg s ALA -3 Ca 0.00 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.07 2kdg s ALA -3 Cb 0.00 -3.27 -0.00 0.00 0.00 0.00 0.00 23.12 19.85 2kdg s ALA -3 CO 0.00 -2.65 0.39 0.00 0.00 0.00 0.00 175.76 173.50 2kdg n MET -2 N -4.11 0.57 -3.60 0.00 0.00 -1.26 -5.06 117.12 103.66 2kdg n MET -2 Ca 0.07 -2.73 0.02 0.00 0.00 0.00 0.00 57.70 55.06 2kdg n MET -2 Cb 0.54 2.50 -0.00 0.00 0.00 0.00 0.00 33.22 36.25 2kdg n MET -2 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2kdg s GLY -1 N -3.05 -0.43 0.79 3.17 0.00 -0.68 -4.94 107.32 102.19 2kdg s GLY -1 Ca 0.30 0.88 -0.11 0.00 0.00 0.00 0.00 44.72 45.79 2kdg s GLY -1 CO 0.21 0.18 1.09 2.56 0.00 0.00 0.00 173.10 177.14 2kdg s PRO 249 N -2.28 2.09 0.22 2.90 0.04 -1.26 -1.15 135.00 135.56 2kdg s PRO 249 Ca 0.14 1.01 -0.30 0.00 0.04 0.00 0.00 61.00 61.88 2kdg s PRO 249 Cb 0.05 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.60 2kdg s PRO 249 CO -0.05 -1.71 1.46 -1.25 0.04 0.00 0.00 177.00 175.49 2kdg s PRO 250 N -4.95 4.26 -0.04 0.56 0.04 -1.26 -4.21 135.00 129.40 2kdg s PRO 250 Ca 0.61 2.30 0.03 0.00 0.04 0.00 0.00 61.00 63.98 2kdg s PRO 250 Cb -0.17 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.25 2kdg s PRO 250 CO 0.56 -0.46 -0.11 0.50 0.04 0.00 0.00 177.00 177.53 2kdg s ARG 251 N 0.06 1.21 -0.25 4.56 3.00 -0.05 -4.55 118.95 122.93 2kdg s ARG 251 Ca 0.62 -0.37 -0.39 0.00 -1.00 0.00 0.00 55.73 54.59 2kdg s ARG 251 Cb -0.42 -1.09 -0.15 0.00 0.00 0.00 0.00 34.95 33.29 2kdg s ARG 251 CO 0.40 0.12 1.75 1.19 0.00 0.00 0.00 175.30 178.76 2kdg n PHE 252 N 3.37 2.08 0.00 5.12 3.01 -1.26 -2.34 117.46 127.43 2kdg n PHE 252 Ca -0.19 0.47 -0.03 0.00 1.01 0.00 0.00 57.45 58.71 2kdg n PHE 252 Cb 0.53 -2.48 -0.01 0.00 -0.01 0.00 0.00 39.48 37.51 2kdg n PHE 252 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2kdg n ILE 253 N 4.61 1.26 -3.73 4.37 2.08 -1.11 -4.93 119.36 121.91 2kdg n ILE 253 Ca 0.26 0.30 -0.12 0.00 0.56 0.00 0.00 62.75 63.74 2kdg n ILE 253 Cb 0.15 -1.81 -0.11 0.00 -0.75 0.00 0.00 39.64 37.12 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 0.41 0.12 0.38 0.74 -1.04 -5.00 119.66 113.00 2kdg s GLN 254 Ca -0.09 0.61 0.10 0.00 0.05 0.00 0.00 55.36 56.02 2kdg s GLN 254 Cb 0.01 0.11 -0.04 0.00 1.10 0.00 0.00 33.01 34.20 2kdg s GLN 254 CO 0.13 -0.09 -0.22 0.14 -0.55 0.00 0.00 175.29 174.70 2kdg s VAL 255 N 0.66 2.59 0.64 1.34 -7.23 -1.26 -0.99 120.40 116.15 2kdg s VAL 255 Ca -0.04 -1.60 -0.14 0.00 -1.81 0.00 0.00 61.98 58.39 2kdg s VAL 255 Cb -0.05 -2.17 -0.01 0.00 0.56 0.00 0.00 36.38 34.71 2kdg s VAL 255 CO -0.04 0.11 1.07 -2.16 -0.31 0.00 0.00 175.10 173.77 2kdg s PRO 256 N -2.07 3.04 0.97 4.82 0.04 -1.25 -5.04 135.00 135.50 2kdg s PRO 256 Ca 0.16 1.22 -0.12 0.00 0.04 0.00 0.00 61.00 62.30 2kdg s PRO 256 Cb -0.10 -1.99 0.17 0.00 0.04 0.00 0.00 34.50 32.62 2kdg s PRO 256 CO 0.08 -1.04 1.09 -1.21 0.04 0.00 0.00 177.00 175.97 2kdg s GLU 257 N -4.28 0.65 0.71 4.56 0.41 -1.26 -4.85 118.70 114.64 2kdg s GLU 257 Ca 0.63 0.58 -0.16 0.00 -0.41 0.00 0.00 54.97 55.62 2kdg s GLU 257 Cb -0.17 -1.76 0.02 0.00 -1.78 0.00 0.00 34.13 30.44 2kdg s GLU 257 CO 0.42 -2.60 1.21 0.27 -0.49 0.00 0.00 175.26 174.07 2kdg n ASN 258 N -4.09 1.48 -4.27 -0.19 6.94 -1.26 -4.79 115.26 109.09 2kdg n ASN 258 Ca 0.06 0.73 -0.21 0.00 -0.02 0.00 0.00 54.58 55.14 2kdg n ASN 258 Cb 0.57 -1.51 -0.12 0.00 -2.36 0.00 0.00 39.78 36.36 2kdg n ASN 258 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 2kdg s MET 259 N -3.56 1.09 -0.24 -3.83 -1.94 -0.18 -5.00 119.30 105.63 2kdg s MET 259 Ca 0.78 -1.21 -0.03 0.00 -1.71 0.00 0.00 55.69 53.53 2kdg s MET 259 Cb -0.35 -1.16 0.10 0.00 2.01 0.00 0.00 34.83 35.43 2kdg s MET 259 CO 0.45 0.25 0.21 -1.54 -0.01 0.00 0.00 175.02 174.38 2kdg s SER 260 N -2.20 2.02 -0.08 3.03 1.04 -1.26 -0.86 113.70 115.38 2kdg s SER 260 Ca 0.08 -0.65 0.04 0.00 0.48 0.00 0.00 55.95 55.90 2kdg s SER 260 Cb -0.08 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.25 2kdg s SER 260 CO 0.04 -0.37 -0.21 -0.63 0.98 0.00 0.00 173.24 173.05 2kdg s ILE 261 N 2.27 1.78 0.16 -1.02 -1.09 -1.20 -4.92 121.20 117.18 2kdg s ILE 261 Ca 0.08 -0.87 -0.31 0.00 -2.23 0.00 0.00 60.65 57.31 2kdg s ILE 261 Cb -0.15 -1.55 -0.10 0.00 -1.58 0.00 0.00 42.46 39.08 2kdg s ILE 261 CO -0.23 0.50 1.54 -0.62 -1.23 0.00 0.00 174.94 174.89 2kdg s ASP 262 N 0.34 6.63 -0.06 3.58 2.15 -1.26 -0.76 116.67 127.29 2kdg s ASP 262 Ca -0.15 2.57 -0.36 0.00 0.43 0.00 0.00 52.55 55.03 2kdg s ASP 262 Cb -0.17 -2.59 -0.14 0.00 -0.30 0.00 0.00 42.92 39.73 2kdg s ASP 262 CO 0.07 -0.80 1.71 1.21 -0.17 0.00 0.00 175.17 177.20 2kdg n GLU 263 N 3.98 1.80 0.00 4.34 2.13 -0.22 -2.42 120.64 130.24 2kdg n GLU 263 Ca 0.13 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.61 2kdg n GLU 263 Cb 0.39 -2.42 0.00 0.00 0.27 0.00 0.00 31.44 29.68 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 3.90 0.19 3.77 8.31 0.00 -0.25 -4.82 105.19 116.29 2kdg n GLY 264 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.93 2.26 0.45 1.61 0.52 -1.02 -4.46 118.95 117.39 2kdg s ARG 265 Ca 0.00 1.08 -0.22 0.00 -0.52 0.00 0.00 55.73 56.07 2kdg s ARG 265 Cb 0.00 -1.90 -0.08 0.00 0.52 0.00 0.00 34.95 33.49 2kdg s ARG 265 CO 0.00 -1.62 1.08 0.12 0.02 0.00 0.00 175.30 174.90 2kdg s PHE 266 N -2.94 3.04 0.23 -0.53 2.19 -1.25 -2.50 117.98 116.23 2kdg s PHE 266 Ca 0.61 1.59 -0.15 0.00 0.33 0.00 0.00 56.93 59.31 2kdg s PHE 266 Cb -0.17 -3.18 0.01 0.00 -1.31 0.00 0.00 43.02 38.37 2kdg s PHE 266 CO 0.56 -0.97 0.50 0.00 1.83 0.00 0.00 175.22 177.14 2kdg s ARG 268 N -3.97 1.18 0.27 0.00 1.70 -1.26 -0.79 118.95 116.08 2kdg s ARG 268 Ca 0.17 -1.30 0.11 0.00 -0.47 0.00 0.00 55.73 54.24 2kdg s ARG 268 Cb -0.01 0.35 -0.05 0.00 -0.57 0.00 0.00 34.95 34.67 2kdg s ARG 268 CO 0.05 -0.42 -0.19 -1.64 -1.08 0.00 0.00 175.30 172.02 2kdg s MET 269 N -4.02 1.62 -0.33 3.89 -1.94 0.01 -4.99 119.30 113.53 2kdg s MET 269 Ca 0.23 -1.73 -0.01 0.00 -1.71 0.00 0.00 55.69 52.46 2kdg s MET 269 Cb 0.04 -1.67 0.13 0.00 2.01 0.00 0.00 34.83 35.34 2kdg s MET 269 CO 0.03 0.31 0.19 -0.51 -0.01 0.00 0.00 175.02 175.03 2kdg s ASP 270 N -3.45 3.08 -0.33 3.03 1.01 -1.26 -3.75 116.67 114.99 2kdg s ASP 270 Ca 0.28 -1.88 -0.02 0.00 0.71 0.00 0.00 52.55 51.65 2kdg s ASP 270 Cb -0.04 -0.35 0.07 0.00 1.01 0.00 0.00 42.92 43.61 2kdg s ASP 270 CO 0.14 -0.35 0.06 -0.36 0.21 0.00 0.00 175.17 174.87 2kdg s PHE 271 N 1.42 3.37 -0.06 4.23 0.40 -0.78 -3.93 117.98 122.63 2kdg s PHE 271 Ca 0.15 -2.03 -0.24 0.00 -0.60 0.00 0.00 56.93 54.21 2kdg s PHE 271 Cb -0.21 -2.45 -0.04 0.00 0.51 0.00 0.00 43.02 40.83 2kdg s PHE 271 CO -0.11 -0.85 0.73 0.15 0.70 0.00 0.00 175.22 175.84 2kdg s LYS 272 N 1.22 4.44 0.09 0.44 1.02 -0.16 -0.53 119.74 126.26 2kdg s LYS 272 Ca -0.01 0.94 0.04 0.00 0.02 0.00 0.00 55.97 56.96 2kdg s LYS 272 Cb -0.20 -3.45 -0.03 0.00 -0.52 0.00 0.00 37.83 33.62 2kdg s LYS 272 CO -0.02 0.04 -0.11 0.54 -0.92 0.00 0.00 175.35 174.88 2kdg s VAL 273 N 0.87 0.96 -0.09 3.17 0.11 -0.85 -2.48 120.40 122.08 2kdg s VAL 273 Ca 0.39 -1.52 0.02 0.00 -2.93 0.00 0.00 61.98 57.94 2kdg s VAL 273 Cb -0.18 -1.23 0.02 0.00 -1.53 0.00 0.00 36.38 33.45 2kdg s VAL 273 CO 0.19 -0.47 -0.13 -0.44 -3.33 0.00 0.00 175.10 170.92 2kdg s SER 274 N -2.22 2.13 -0.02 3.54 0.01 -0.99 -4.55 113.70 111.61 2kdg s SER 274 Ca 0.03 -0.36 -0.30 0.00 1.31 0.00 0.00 55.95 56.62 2kdg s SER 274 Cb -0.05 -0.95 0.12 0.00 0.21 0.00 0.00 66.02 65.35 2kdg s SER 274 CO 0.01 0.01 1.22 -0.83 0.41 0.00 0.00 173.24 174.05 2kdg s GLY 275 N 0.94 -0.37 -0.10 3.44 0.00 -1.26 -0.87 107.32 109.10 2kdg s GLY 275 Ca -0.09 0.78 -0.06 0.00 0.00 0.00 0.00 44.72 45.36 2kdg s GLY 275 CO -0.00 0.18 0.25 -2.27 0.00 0.00 0.00 173.10 171.26 2kdg s LEU 276 N -2.83 0.50 1.08 0.66 2.96 -0.30 -4.40 118.68 116.36 2kdg s LEU 276 Ca 0.13 0.52 -0.13 0.00 -0.22 0.00 0.00 54.13 54.42 2kdg s LEU 276 Cb 0.03 0.75 0.23 0.00 0.50 0.00 0.00 46.19 47.70 2kdg s LEU 276 CO -0.03 -0.15 1.07 -2.16 -1.32 0.00 0.00 176.35 173.75 2kdg s PRO 277 N 1.11 -0.25 -0.02 0.98 0.04 -1.26 -1.69 135.00 133.91 2kdg s PRO 277 Ca -0.08 0.53 -0.33 0.00 0.04 0.00 0.00 61.00 61.16 2kdg s PRO 277 Cb -0.09 -1.66 -0.12 0.00 0.04 0.00 0.00 34.50 32.68 2kdg s PRO 277 CO -0.07 -3.20 1.84 0.00 0.04 0.00 0.00 177.00 175.62 2kdg n ALA 278 N -4.50 1.15 -1.48 8.56 0.00 -1.26 -4.84 120.51 118.14 2kdg n ALA 278 Ca 0.05 0.30 -0.30 0.00 0.00 0.00 0.00 53.44 53.49 2kdg n ALA 278 Cb 0.57 -2.51 0.10 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 3.53 2.00 1.06 0.00 0.04 -1.26 -4.92 135.00 135.44 2kdg s PRO 279 Ca 0.89 0.71 -0.12 0.00 0.04 0.00 0.00 61.00 62.53 2kdg s PRO 279 Cb -0.64 -1.90 0.23 0.00 0.04 0.00 0.00 34.50 32.22 2kdg s PRO 279 CO 0.47 -1.70 1.07 0.34 0.04 0.00 0.00 177.00 177.22 2kdg s ASP 280 N -3.79 1.82 -0.13 6.66 2.15 0.08 -4.83 116.67 118.63 2kdg s ASP 280 Ca 0.61 1.75 -0.04 0.00 0.43 0.00 0.00 52.55 55.30 2kdg s ASP 280 Cb -0.15 -2.39 0.05 0.00 -0.30 0.00 0.00 42.92 40.13 2kdg s ASP 280 CO 0.55 -3.72 0.07 0.54 -0.17 0.00 0.00 175.17 172.44 2kdg s VAL 281 N -2.56 -0.01 0.06 1.11 0.11 -1.26 -3.77 120.40 114.07 2kdg s VAL 281 Ca 0.67 -0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.78 2kdg s VAL 281 Cb -0.24 -0.48 -0.03 0.00 -1.53 0.00 0.00 36.38 34.10 2kdg s VAL 281 CO 0.62 -0.10 -0.16 -0.44 -3.33 0.00 0.00 175.10 171.69 2kdg s SER 282 N 2.11 1.89 0.12 3.54 0.01 -0.94 -5.02 113.70 115.41 2kdg s SER 282 Ca 0.03 -0.55 0.06 0.00 1.31 0.00 0.00 55.95 56.80 2kdg s SER 282 Cb -0.15 -0.10 -0.04 0.00 0.21 0.00 0.00 66.02 65.94 2kdg s SER 282 CO -0.07 0.02 -0.16 0.26 0.41 0.00 0.00 173.24 173.70 2kdg s TRP 283 N -1.02 1.48 0.11 2.43 0.52 -1.26 -0.97 118.94 120.22 2kdg s TRP 283 Ca 0.02 -0.51 -0.05 0.00 0.02 0.00 0.00 56.10 55.58 2kdg s TRP 283 Cb -0.09 -0.78 -0.02 0.00 -1.15 0.00 0.00 33.47 31.43 2kdg s TRP 283 CO 0.02 0.16 0.11 0.71 0.02 0.00 0.00 176.95 177.98 2kdg s TYR 284 N -1.85 0.50 -0.14 -1.98 1.51 -0.11 -1.23 117.35 114.06 2kdg s TYR 284 Ca 0.08 -0.93 -0.06 0.00 -1.01 0.00 0.00 57.07 55.15 2kdg s TYR 284 Cb -0.07 -0.26 0.06 0.00 -0.11 0.00 0.00 41.96 41.58 2kdg s TYR 284 CO 0.04 -0.53 0.29 -1.17 -1.11 0.00 0.00 175.55 173.06 2kdg s LEU 285 N -2.95 -0.14 -0.03 -1.29 2.96 -0.06 -1.19 118.68 115.99 2kdg s LEU 285 Ca 0.14 0.65 0.00 0.00 -0.22 0.00 0.00 54.13 54.70 2kdg s LEU 285 Cb 0.06 0.85 0.00 0.00 0.50 0.00 0.00 46.19 47.60 2kdg s LEU 285 CO -0.05 -0.21 0.00 0.59 -1.32 0.00 0.00 176.35 175.36 2kdg n ASN 286 N 4.96 -4.50 0.00 3.68 3.02 -0.29 -1.60 115.26 120.53 2kdg n ASN 286 Ca -0.13 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 2kdg n ASN 286 Cb 0.51 -2.77 0.00 0.00 -0.61 0.00 0.00 39.78 36.91 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 0.73 0.90 3.84 7.41 0.00 -1.26 -5.06 105.19 111.76 2kdg n GLY 287 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2kdg n GLY 287 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kdg s ARG 288 N -0.35 2.89 0.65 1.61 1.70 -0.63 -5.13 118.95 119.69 2kdg s ARG 288 Ca 0.00 -1.11 -0.15 0.00 -0.47 0.00 0.00 55.73 53.99 2kdg s ARG 288 Cb 0.00 -2.56 -0.00 0.00 -0.57 0.00 0.00 34.95 31.82 2kdg s ARG 288 CO 0.00 0.30 1.11 0.95 -1.08 0.00 0.00 175.30 176.58 2kdg s THR 289 N -2.18 3.28 -0.29 4.99 -4.23 -1.26 -0.88 115.64 115.08 2kdg s THR 289 Ca 0.36 0.60 -0.02 0.00 -1.18 0.00 0.00 61.69 61.45 2kdg s THR 289 Cb -0.07 -3.12 0.09 0.00 1.34 0.00 0.00 72.50 70.74 2kdg s THR 289 CO 0.26 -0.37 0.09 -0.69 -0.54 0.00 0.00 174.62 173.37 2kdg s VAL 290 N -2.34 0.59 0.65 2.29 1.01 -0.36 -4.68 120.40 117.56 2kdg s VAL 290 Ca 0.67 -1.10 -0.13 0.00 0.00 0.00 0.00 61.98 61.42 2kdg s VAL 290 Cb -0.20 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 2kdg s VAL 290 CO 0.41 -0.61 1.06 -1.10 0.00 0.00 0.00 175.10 174.86 2kdg s GLN 291 N 1.77 3.06 0.52 2.72 -0.21 -1.26 -4.15 119.66 122.12 2kdg s GLN 291 Ca 0.08 1.08 -0.20 0.00 0.02 0.00 0.00 55.36 56.34 2kdg s GLN 291 Cb -0.17 -2.00 -0.06 0.00 1.00 0.00 0.00 33.01 31.77 2kdg s GLN 291 CO -0.25 -1.01 1.12 -1.54 -2.12 0.00 0.00 175.29 171.49 2kdg s SER 292 N -3.31 5.89 0.37 5.90 1.04 -1.26 -4.99 113.70 117.34 2kdg s SER 292 Ca 0.61 2.15 -0.06 0.00 0.48 0.00 0.00 55.95 59.13 2kdg s SER 292 Cb -0.15 -2.58 0.02 0.00 0.10 0.00 0.00 66.02 63.41 2kdg s SER 292 CO 0.47 -1.10 0.60 1.51 0.98 0.00 0.00 173.24 175.69 2kdg s ASP 293 N -1.75 0.68 0.54 7.02 1.47 -1.02 -5.00 116.67 118.62 2kdg s ASP 293 Ca 0.71 -1.42 0.23 0.00 1.18 0.00 0.00 52.55 53.25 2kdg s ASP 293 Cb -0.23 0.75 1.44 0.00 -0.34 0.00 0.00 42.92 44.53 2kdg s ASP 293 CO 0.27 -1.47 2.09 -0.78 0.68 0.00 0.00 175.17 175.95 2kdg h ASP 294 N 2.05 0.00 0.45 2.11 3.58 -2.02 -1.00 116.42 121.59 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 1.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.29 2kdg h ASP 294 CO 0.40 0.00 -0.73 0.18 -2.88 0.00 0.00 179.24 176.20 2kdg n LEU 295 N -4.26 0.63 -3.28 2.28 4.77 -1.26 -4.64 117.00 111.24 2kdg n LEU 295 Ca 0.03 -0.05 -0.25 0.00 -0.03 0.00 0.00 56.01 55.70 2kdg n LEU 295 Cb 0.34 -0.16 -0.08 0.00 -2.33 0.00 0.00 43.42 41.19 2kdg n LEU 295 CO 0.33 0.10 -0.19 1.41 -1.33 0.00 0.00 177.39 177.71 2kdg n HIS 296 N -1.70 0.74 -2.36 -1.77 8.25 -0.38 -1.19 115.22 116.82 2kdg n HIS 296 Ca 0.04 -3.72 -0.38 0.00 -0.26 0.00 0.00 57.72 53.40 2kdg n HIS 296 Cb 0.37 -0.37 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 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 4.21 -0.22 -0.41 1.02 -1.20 -2.43 119.74 119.27 2kdg s LYS 297 Ca 0.36 1.80 -0.04 0.00 0.02 0.00 0.00 55.97 58.11 2kdg s LYS 297 Cb 0.15 -2.78 0.07 0.00 -0.52 0.00 0.00 37.83 34.75 2kdg s LYS 297 CO -0.09 -0.17 0.10 -1.64 -0.92 0.00 0.00 175.35 172.62 2kdg s MET 298 N -2.13 0.21 0.24 1.68 -1.94 -1.26 -1.83 119.30 114.27 2kdg s MET 298 Ca 0.54 -0.31 0.01 0.00 -1.71 0.00 0.00 55.69 54.22 2kdg s MET 298 Cb -0.30 -1.67 -0.04 0.00 2.01 0.00 0.00 34.83 34.83 2kdg s MET 298 CO 0.38 -0.79 0.15 0.96 -0.01 0.00 0.00 175.02 175.71 2kdg s ILE 299 N 2.07 0.10 -0.02 2.53 -0.00 -0.85 -5.03 121.20 119.99 2kdg s ILE 299 Ca 0.04 -2.00 0.01 0.00 -0.00 0.00 0.00 60.65 58.70 2kdg s ILE 299 Cb -0.16 -2.52 0.01 0.00 -0.00 0.00 0.00 42.46 39.79 2kdg s ILE 299 CO -0.18 0.00 -0.04 -0.69 -0.00 0.00 0.00 174.94 174.03 2kdg s VAL 300 N -3.95 0.43 1.10 8.37 1.01 -1.26 -0.78 120.40 125.32 2kdg s VAL 300 Ca 0.39 -0.14 -0.15 0.00 0.00 0.00 0.00 61.98 62.09 2kdg s VAL 300 Cb 0.06 -0.43 0.24 0.00 0.00 0.00 0.00 36.38 36.26 2kdg s VAL 300 CO 0.15 0.17 1.08 -0.94 0.00 0.00 0.00 175.10 175.55 2kdg s SER 301 N 0.47 1.69 0.67 3.32 1.04 -0.62 -4.93 113.70 115.33 2kdg s SER 301 Ca -0.06 1.08 0.43 0.00 0.48 0.00 0.00 55.95 57.88 2kdg s SER 301 Cb -0.09 -1.66 2.34 0.00 0.10 0.00 0.00 66.02 66.71 2kdg s SER 301 CO -0.00 -3.70 2.33 -0.08 0.98 0.00 0.00 173.24 172.77 2kdg h GLU 302 N -2.29 0.00 -0.06 4.02 4.81 -2.02 -3.14 114.58 115.90 2kdg h GLU 302 Ca -0.54 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 2kdg h GLU 302 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 2kdg h GLU 302 CO 0.50 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 180.41 2kdg n LYS 303 N -3.11 1.42 -0.11 1.92 5.02 -1.26 -5.01 118.16 117.03 2kdg n LYS 303 Ca -0.03 -1.23 0.00 0.00 -2.02 0.00 0.00 58.31 55.03 2kdg n LYS 303 Cb 0.10 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 2kdg n LYS 303 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kdg n GLY 304 N -0.05 0.94 3.55 0.72 0.00 -1.19 -4.89 105.19 104.28 2kdg n GLY 304 Ca 0.03 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 3.25 0.21 0.99 2.96 -1.26 -2.01 118.68 122.82 2kdg s LEU 305 Ca 0.00 -0.66 -0.31 0.00 -0.22 0.00 0.00 54.13 52.94 2kdg s LEU 305 Cb 0.00 -2.56 -0.10 0.00 0.50 0.00 0.00 46.19 44.03 2kdg s LEU 305 CO 0.00 -1.77 1.55 -1.00 -1.32 0.00 0.00 176.35 173.82 2kdg s HIS 306 N 5.56 2.98 -0.08 5.38 3.76 0.31 -1.58 115.29 131.62 2kdg s HIS 306 Ca 0.37 0.73 0.01 0.00 -0.15 0.00 0.00 55.06 56.02 2kdg s HIS 306 Cb -0.07 -3.95 0.02 0.00 1.11 0.00 0.00 32.58 29.70 2kdg s HIS 306 CO 0.10 -3.34 -0.10 -1.12 -0.85 0.00 0.00 174.74 169.43 2kdg s SER 307 N 0.82 1.83 -0.12 1.40 0.01 0.04 -1.86 113.70 115.82 2kdg s SER 307 Ca 0.66 -0.28 0.01 0.00 1.31 0.00 0.00 55.95 57.66 2kdg s SER 307 Cb -0.45 -0.79 0.02 0.00 0.21 0.00 0.00 66.02 65.02 2kdg s SER 307 CO 0.37 -0.03 -0.13 -0.22 0.41 0.00 0.00 173.24 173.64 2kdg s LEU 308 N 1.08 1.60 0.17 2.44 1.98 -1.25 -2.00 118.68 122.70 2kdg s LEU 308 Ca -0.07 -0.41 0.09 0.00 -2.89 0.00 0.00 54.13 50.85 2kdg s LEU 308 Cb -0.14 -1.04 -0.04 0.00 0.66 0.00 0.00 46.19 45.62 2kdg s LEU 308 CO -0.01 -0.03 -0.11 -0.63 -1.89 0.00 0.00 176.35 173.68 2kdg s ILE 309 N 1.23 3.16 -0.23 6.68 1.01 -0.76 -0.81 121.20 131.48 2kdg s ILE 309 Ca -0.02 -1.61 -0.00 0.00 0.00 0.00 0.00 60.65 59.02 2kdg s ILE 309 Cb -0.14 -2.54 0.06 0.00 0.01 0.00 0.00 42.46 39.85 2kdg s ILE 309 CO -0.05 -0.07 -0.03 -0.36 0.00 0.00 0.00 174.94 174.44 2kdg s PHE 310 N -1.60 2.09 0.13 3.97 0.40 0.03 -3.84 117.98 119.17 2kdg s PHE 310 Ca 0.24 -1.58 -0.13 0.00 -0.60 0.00 0.00 56.93 54.86 2kdg s PHE 310 Cb -0.09 -1.49 -0.03 0.00 0.51 0.00 0.00 43.02 41.92 2kdg s PHE 310 CO 0.14 -0.75 1.52 0.93 0.70 0.00 0.00 175.22 177.76 2kdg h GLU 311 N 8.02 0.84 -1.57 0.44 4.39 -1.42 -0.75 114.58 124.53 2kdg h GLU 311 Ca -0.17 -0.36 -0.24 0.00 0.34 0.00 0.00 59.36 58.93 2kdg h GLU 311 Cb 1.08 -0.03 -0.26 0.00 -0.10 0.00 0.00 28.75 29.44 2kdg h GLU 311 CO 0.40 0.99 -0.59 0.54 -1.16 0.00 0.00 179.01 179.19 2kdg s VAL 312 N -4.67 -0.60 0.59 3.13 0.11 -1.26 -3.77 120.40 113.93 2kdg s VAL 312 Ca -0.12 -0.60 -0.18 0.00 -2.93 0.00 0.00 61.98 58.15 2kdg s VAL 312 Cb 0.11 -0.41 -0.04 0.00 -1.53 0.00 0.00 36.38 34.51 2kdg s VAL 312 CO 0.84 -0.35 1.12 0.54 -3.33 0.00 0.00 175.10 173.92 2kdg s VAL 313 N 1.59 3.21 0.14 2.04 0.11 -1.04 -4.83 120.40 121.62 2kdg s VAL 313 Ca 0.17 0.68 0.04 0.00 -2.93 0.00 0.00 61.98 59.93 2kdg s VAL 313 Cb -0.11 -3.23 -0.04 0.00 -1.53 0.00 0.00 36.38 31.47 2kdg s VAL 313 CO -0.05 -0.24 -0.10 -0.13 -3.33 0.00 0.00 175.10 171.26 2kdg s ARG 314 N -3.59 1.02 0.50 1.54 1.81 -1.26 -1.09 118.95 117.88 2kdg s ARG 314 Ca 0.70 -1.42 0.20 0.00 -1.72 0.00 0.00 55.73 53.49 2kdg s ARG 314 Cb -0.22 -0.55 1.27 0.00 -0.45 0.00 0.00 34.95 34.99 2kdg s ARG 314 CO 0.32 0.06 2.04 0.00 -0.68 0.00 0.00 175.30 177.05 2kdg h ALA 315 N 2.84 2.23 0.00 2.13 0.00 -1.94 -0.69 119.26 123.82 2kdg h ALA 315 Ca -0.36 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2kdg h ALA 315 Cb 1.19 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2kdg h ALA 315 CO 0.63 -0.32 -0.05 1.03 0.00 0.00 0.00 179.25 180.54 2kdg h SER 316 N 0.10 0.00 0.79 0.00 0.87 -1.97 -2.76 113.55 110.57 2kdg h SER 316 Ca 0.17 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2kdg h SER 316 Cb 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2kdg h SER 316 CO -0.02 0.05 0.00 0.47 -0.53 0.00 0.00 176.83 176.80 2kdg n ASP 317 N -3.53 0.00 -4.74 6.23 8.00 -0.26 -4.91 116.55 117.33 2kdg n ASP 317 Ca -0.02 0.28 -0.35 0.00 0.71 0.00 0.00 54.79 55.41 2kdg n ASP 317 Cb 0.17 -0.42 0.06 0.00 -0.02 0.00 0.00 41.12 40.90 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 -2.85 2.36 0.00 2.24 0.00 -1.04 -4.96 121.76 117.51 2kdg s ALA 318 Ca 0.18 0.87 0.00 0.00 0.00 0.00 0.00 51.96 53.01 2kdg s ALA 318 Cb 0.18 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.87 2kdg s ALA 318 CO 0.47 -1.47 0.00 0.41 0.00 0.00 0.00 175.76 175.17 2kdg n GLY 319 N 0.27 0.79 3.53 0.00 0.00 -0.39 -4.99 105.19 104.41 2kdg n GLY 319 Ca 0.13 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.26 2.82 0.53 4.61 0.00 -1.26 -1.11 121.76 126.10 2kdg s ALA 320 Ca 0.00 -1.67 -0.19 0.00 0.00 0.00 0.00 51.96 50.10 2kdg s ALA 320 Cb 0.00 -4.24 -0.06 0.00 0.00 0.00 0.00 23.12 18.81 2kdg s ALA 320 CO 0.00 -3.26 1.10 0.71 0.00 0.00 0.00 175.76 174.30 2kdg s TYR 321 N 5.21 2.78 0.05 0.00 2.02 0.17 -1.13 117.35 126.45 2kdg s TYR 321 Ca 0.35 1.55 -0.02 0.00 -0.37 0.00 0.00 57.07 58.58 2kdg s TYR 321 Cb -0.08 -3.20 -0.03 0.00 -0.40 0.00 0.00 41.96 38.25 2kdg s TYR 321 CO 0.08 -1.33 0.01 0.00 -1.57 0.00 0.00 175.55 172.75 2kdg s ALA 322 N -1.89 0.30 0.01 3.71 0.00 -0.33 -1.43 121.76 122.13 2kdg s ALA 322 Ca 0.70 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.73 2kdg s ALA 322 Cb -0.21 0.28 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 2kdg s ALA 322 CO 0.26 -0.35 -0.13 0.00 0.00 0.00 0.00 175.76 175.54 2kdg s VAL 324 N -0.47 1.57 -0.12 0.00 1.01 -0.14 -0.91 120.40 121.34 2kdg s VAL 324 Ca 0.03 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.27 2kdg s VAL 324 Cb -0.06 -1.37 0.02 0.00 0.00 0.00 0.00 36.38 34.97 2kdg s VAL 324 CO 0.00 0.45 -0.14 0.00 0.00 0.00 0.00 175.10 175.41 2kdg s ALA 325 N 0.34 1.70 -0.03 5.51 0.00 -0.35 -2.20 121.76 126.72 2kdg s ALA 325 Ca -0.12 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.12 2kdg s ALA 325 Cb -0.15 -0.88 -0.00 0.00 0.00 0.00 0.00 23.12 22.09 2kdg s ALA 325 CO 0.05 -0.16 -0.13 0.15 0.00 0.00 0.00 175.76 175.67 2kdg s LYS 326 N 1.13 1.36 0.38 0.00 3.01 -1.25 -0.99 119.74 123.38 2kdg s LYS 326 Ca -0.04 -0.46 0.06 0.00 -1.01 0.00 0.00 55.97 54.52 2kdg s LYS 326 Cb -0.14 -1.22 -0.02 0.00 -1.01 0.00 0.00 37.83 35.43 2kdg s LYS 326 CO -0.04 0.19 0.21 0.54 0.51 0.00 0.00 175.35 176.76 2kdg s ASN 327 N 0.08 2.34 0.07 2.83 2.20 -0.31 -0.74 114.94 121.41 2kdg s ASN 327 Ca -0.03 -1.75 0.08 0.00 -0.94 0.00 0.00 52.86 50.23 2kdg s ASN 327 Cb -0.10 0.58 0.38 0.00 -2.00 0.00 0.00 41.25 40.11 2kdg s ASN 327 CO 0.01 -1.02 1.25 -2.11 -2.94 0.00 0.00 177.10 172.29 2kdg n ARG 328 N -0.80 0.03 -0.01 3.55 1.85 -1.26 -2.55 116.66 117.48 2kdg n ARG 328 Ca 0.00 0.47 0.08 0.00 -1.00 0.00 0.00 57.85 57.39 2kdg n ARG 328 Cb 0.63 -1.60 -0.11 0.00 -1.05 0.00 0.00 32.46 30.33 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 -1.56 2.75 0.00 2.89 0.00 -1.26 -5.09 120.51 118.24 2kdg n ALA 329 Ca 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2kdg n ALA 329 Cb 0.05 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 1.60 -1.41 3.05 0.00 0.00 -1.06 -4.47 105.19 102.90 2kdg n GLY 330 Ca -0.02 -1.05 -0.15 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.20 0.55 0.05 1.61 2.12 -1.26 -1.16 118.70 119.41 2kdg s GLU 331 Ca 0.00 -0.62 -0.01 0.00 0.36 0.00 0.00 54.97 54.70 2kdg s GLU 331 Cb 0.00 -0.40 -0.04 0.00 0.26 0.00 0.00 34.13 33.95 2kdg s GLU 331 CO 0.00 0.09 -0.03 0.00 -0.54 0.00 0.00 175.26 174.78 2kdg s ALA 332 N -1.01 0.48 -0.01 6.30 0.00 -0.16 -4.83 121.76 122.53 2kdg s ALA 332 Ca -0.06 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.75 2kdg s ALA 332 Cb -0.08 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.30 2kdg s ALA 332 CO 0.00 -0.35 -0.01 0.99 0.00 0.00 0.00 175.76 176.39 2kdg s THR 333 N -3.69 0.12 0.11 0.00 2.01 -1.26 -1.21 115.64 111.72 2kdg s THR 333 Ca 0.05 -0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.06 2kdg s THR 333 Cb 0.06 -0.13 -0.04 0.00 0.01 0.00 0.00 72.50 72.41 2kdg s THR 333 CO -0.09 0.05 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.42 2kdg s PHE 334 N 0.15 1.20 -0.01 4.92 0.08 -0.09 -5.00 117.98 119.23 2kdg s PHE 334 Ca -0.01 -0.65 -0.06 0.00 0.12 0.00 0.00 56.93 56.33 2kdg s PHE 334 Cb -0.03 -0.64 0.00 0.00 -0.57 0.00 0.00 43.02 41.79 2kdg s PHE 334 CO -0.00 0.06 0.12 0.99 -0.10 0.00 0.00 175.22 176.28 2kdg s THR 335 N -2.53 0.06 0.10 0.64 2.01 -1.26 -0.96 115.64 113.70 2kdg s THR 335 Ca 0.09 -0.51 -0.13 0.00 0.31 0.00 0.00 61.69 61.44 2kdg s THR 335 Cb -0.02 -0.35 0.02 0.00 0.01 0.00 0.00 72.50 72.16 2kdg s THR 335 CO 0.01 -0.28 0.32 0.54 -0.69 0.00 0.00 174.62 174.52 2kdg s VAL 336 N -0.97 0.09 -0.11 3.82 0.11 -0.51 -4.82 120.40 118.02 2kdg s VAL 336 Ca -0.11 -0.77 -0.02 0.00 -2.93 0.00 0.00 61.98 58.15 2kdg s VAL 336 Cb -0.06 -1.17 -0.03 0.00 -1.53 0.00 0.00 36.38 33.59 2kdg s VAL 336 CO 0.01 -0.43 -0.04 -1.58 -3.33 0.00 0.00 175.10 169.73 2kdg s GLN 337 N -3.56 3.24 -0.27 1.54 0.74 -1.26 -0.65 119.66 119.44 2kdg s GLN 337 Ca 0.02 -0.51 0.02 0.00 0.05 0.00 0.00 55.36 54.94 2kdg s GLN 337 Cb 0.02 -2.78 0.06 0.00 1.10 0.00 0.00 33.01 31.41 2kdg s GLN 337 CO -0.10 0.47 -0.09 -1.17 -0.55 0.00 0.00 175.29 173.85 2kdg s LEU 338 N -0.26 3.50 -1.04 3.68 2.96 -0.26 -1.01 118.68 126.26 2kdg s LEU 338 Ca 0.04 -1.36 -0.13 0.00 -0.22 0.00 0.00 54.13 52.46 2kdg s LEU 338 Cb -0.13 -1.58 0.22 0.00 0.50 0.00 0.00 46.19 45.21 2kdg s LEU 338 CO 0.02 -0.20 1.09 -0.62 -1.32 0.00 0.00 176.35 175.33 2kdg s ASP 339 N 1.13 7.04 -0.23 3.68 2.15 -0.04 -1.26 116.67 129.15 2kdg s ASP 339 Ca -0.08 -3.04 -0.29 0.00 0.43 0.00 0.00 52.55 49.57 2kdg s ASP 339 Cb -0.20 -2.27 -0.04 0.00 -0.30 0.00 0.00 42.92 40.11 2kdg s ASP 339 CO -0.04 -0.55 1.91 -0.69 -0.17 0.00 0.00 175.17 175.62 2kdg s VAL 340 N 0.20 3.33 -0.63 1.11 1.01 -1.26 -3.26 120.40 120.90 2kdg s VAL 340 Ca 0.30 0.35 -0.27 0.00 0.00 0.00 0.00 61.98 62.36 2kdg s VAL 340 Cb -0.08 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.92 2kdg s VAL 340 CO -0.07 -0.21 1.59 -0.76 0.00 0.00 0.00 175.10 175.66 2kdg s LEU 341 N 6.67 3.28 0.74 3.92 1.43 0.06 -4.82 118.68 129.96 2kdg s LEU 341 Ca 0.85 0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 53.93 2kdg s LEU 341 Cb -0.29 -2.68 0.04 0.00 0.03 0.00 0.00 46.19 43.30 2kdg s LEU 341 CO 0.34 -2.06 1.24 0.00 0.23 0.00 0.00 176.35 176.10 2kdg s ALA 342 N 7.39 2.06 0.19 4.21 0.00 -1.26 -1.06 121.76 133.30 2kdg s ALA 342 Ca 0.55 0.98 0.18 0.00 0.00 0.00 0.00 51.96 53.68 2kdg s ALA 342 Cb -0.11 -3.51 0.70 0.00 0.00 0.00 0.00 23.12 20.20 2kdg s ALA 342 CO 0.20 -1.99 1.75 -0.22 0.00 0.00 0.00 175.76 175.50 2kdg h LYS 343 N -0.31 0.00 0.00 0.00 1.63 -1.94 -3.44 116.57 112.51 2kdg h LYS 343 Ca -0.48 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 2kdg h LYS 343 Cb 1.31 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.94 2kdg h LYS 343 CO 0.49 0.37 0.00 0.39 -3.45 0.00 0.00 179.45 177.25