#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 1.95 0.31 4.61 0.00 -1.26 -5.08 121.76 122.28 2kdg s ALA -3 Ca 0.00 0.57 -0.07 0.00 0.00 0.00 0.00 51.96 52.46 2kdg s ALA -3 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2kdg s ALA -3 CO 0.00 -2.12 0.48 0.00 0.00 0.00 0.00 175.76 174.12 2kdg s MET -2 N -4.48 1.77 -0.03 0.00 0.23 -1.26 -5.03 119.30 110.49 2kdg s MET -2 Ca 0.67 -1.56 -0.30 0.00 -1.03 0.00 0.00 55.69 53.47 2kdg s MET -2 Cb -0.22 0.46 0.12 0.00 -1.53 0.00 0.00 34.83 33.65 2kdg s MET -2 CO 0.53 -0.74 1.31 0.20 -2.03 0.00 0.00 175.02 174.29 2kdg s GLY -1 N -3.15 -0.34 0.80 3.16 0.00 -0.21 -4.98 107.32 102.61 2kdg s GLY -1 Ca 0.27 0.53 -0.11 0.00 0.00 0.00 0.00 44.72 45.42 2kdg s GLY -1 CO 0.15 1.77 1.10 2.56 0.00 0.00 0.00 173.10 178.68 2kdg s PRO 249 N -2.25 2.03 0.93 2.90 0.04 -1.26 -1.91 135.00 135.49 2kdg s PRO 249 Ca 0.19 1.18 -0.12 0.00 0.04 0.00 0.00 61.00 62.29 2kdg s PRO 249 Cb 0.04 -1.87 0.15 0.00 0.04 0.00 0.00 34.50 32.86 2kdg s PRO 249 CO -0.03 -1.80 1.10 -1.25 0.04 0.00 0.00 177.00 175.05 2kdg s PRO 250 N -4.88 0.95 0.08 0.56 0.04 -1.26 -4.34 135.00 126.16 2kdg s PRO 250 Ca 0.62 0.60 0.02 0.00 0.04 0.00 0.00 61.00 62.28 2kdg s PRO 250 Cb -0.18 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2kdg s PRO 250 CO 0.56 -2.40 -0.07 0.50 0.04 0.00 0.00 177.00 175.63 2kdg s ARG 251 N -5.01 0.76 -1.14 4.56 3.52 -1.23 -4.72 118.95 115.69 2kdg s ARG 251 Ca 0.64 -1.16 -0.08 0.00 -0.13 0.00 0.00 55.73 55.00 2kdg s ARG 251 Cb -0.17 -0.28 0.26 0.00 -1.56 0.00 0.00 34.95 33.20 2kdg s ARG 251 CO 0.56 0.01 1.43 1.19 -0.81 0.00 0.00 175.30 177.69 2kdg n PHE 252 N 0.43 3.63 0.00 5.12 3.01 -1.26 -4.41 117.46 123.99 2kdg n PHE 252 Ca -0.15 -3.12 0.00 0.00 1.01 0.00 0.00 57.45 55.19 2kdg n PHE 252 Cb 0.59 -1.63 0.00 0.00 -0.01 0.00 0.00 39.48 38.43 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 2.48 0.00 -3.72 4.37 -0.00 -1.26 -5.02 119.36 116.21 2kdg n ILE 253 Ca 0.29 0.64 -0.14 0.00 -0.00 0.00 0.00 62.75 63.55 2kdg n ILE 253 Cb 0.37 -1.55 -0.09 0.00 -0.00 0.00 0.00 39.64 38.36 2kdg n ILE 253 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.55 174.97 2kdg s GLN 254 N -1.26 0.60 0.17 0.38 0.74 -1.25 -5.04 119.66 114.00 2kdg s GLN 254 Ca 0.00 0.37 0.11 0.00 0.05 0.00 0.00 55.36 55.89 2kdg s GLN 254 Cb 0.00 0.28 -0.04 0.00 1.10 0.00 0.00 33.01 34.35 2kdg s GLN 254 CO 0.00 -0.12 -0.25 0.14 -0.55 0.00 0.00 175.29 174.51 2kdg s VAL 255 N -0.30 2.33 0.72 1.34 -7.23 -1.26 -2.13 120.40 113.87 2kdg s VAL 255 Ca -0.04 -1.92 -0.11 0.00 -1.81 0.00 0.00 61.98 58.10 2kdg s VAL 255 Cb -0.03 -2.08 0.03 0.00 0.56 0.00 0.00 36.38 34.85 2kdg s VAL 255 CO 0.02 -0.03 1.07 -2.16 -0.31 0.00 0.00 175.10 173.69 2kdg s PRO 256 N -2.43 2.69 0.87 4.82 0.04 -1.25 -5.03 135.00 134.71 2kdg s PRO 256 Ca 0.18 0.93 -0.12 0.00 0.04 0.00 0.00 61.00 62.03 2kdg s PRO 256 Cb -0.09 -1.96 0.11 0.00 0.04 0.00 0.00 34.50 32.60 2kdg s PRO 256 CO 0.08 -1.26 1.10 -1.21 0.04 0.00 0.00 177.00 175.75 2kdg s GLU 257 N -5.04 1.49 0.84 4.56 2.02 -1.26 -4.85 118.70 116.46 2kdg s GLU 257 Ca 0.59 0.68 -0.12 0.00 0.02 0.00 0.00 54.97 56.15 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 -2.04 1.16 0.54 0.02 0.00 0.00 175.26 175.49 2kdg s ASN 258 N -3.66 3.53 0.20 -0.19 4.22 -1.26 -4.81 114.94 112.97 2kdg s ASN 258 Ca 0.63 2.20 0.05 0.00 -2.14 0.00 0.00 52.86 53.60 2kdg s ASN 258 Cb -0.16 -2.57 -0.05 0.00 1.28 0.00 0.00 41.25 39.75 2kdg s ASN 258 CO 0.56 -2.70 -0.07 -0.04 -2.04 0.00 0.00 177.10 172.80 2kdg s MET 259 N -4.44 1.24 -0.31 3.55 -1.94 -0.74 -5.00 119.30 111.66 2kdg s MET 259 Ca 0.69 -1.58 -0.02 0.00 -1.71 0.00 0.00 55.69 53.06 2kdg s MET 259 Cb -0.24 -0.74 0.11 0.00 2.01 0.00 0.00 34.83 35.97 2kdg s MET 259 CO 0.54 0.03 0.16 -1.54 -0.01 0.00 0.00 175.02 174.19 2kdg s SER 260 N -3.26 3.34 -0.11 3.03 1.04 -1.26 -0.93 113.70 115.56 2kdg s SER 260 Ca 0.23 -1.62 0.00 0.00 0.48 0.00 0.00 55.95 55.04 2kdg s SER 260 Cb 0.03 -0.38 -0.02 0.00 0.10 0.00 0.00 66.02 65.76 2kdg s SER 260 CO 0.05 -0.39 -0.11 -0.63 0.98 0.00 0.00 173.24 173.14 2kdg s ILE 261 N 1.72 3.29 0.16 -1.02 -1.09 -0.72 -4.88 121.20 118.65 2kdg s ILE 261 Ca 0.12 -0.60 -0.31 0.00 -2.23 0.00 0.00 60.65 57.63 2kdg s ILE 261 Cb -0.19 -2.37 -0.11 0.00 -1.58 0.00 0.00 42.46 38.22 2kdg s ILE 261 CO -0.23 0.54 1.80 -0.62 -1.23 0.00 0.00 174.94 175.20 2kdg s ASP 262 N -0.02 6.40 0.09 3.58 2.15 -1.26 -0.75 116.67 126.86 2kdg s ASP 262 Ca -0.02 2.81 -0.34 0.00 0.43 0.00 0.00 52.55 55.43 2kdg s ASP 262 Cb -0.14 -2.58 -0.13 0.00 -0.30 0.00 0.00 42.92 39.77 2kdg s ASP 262 CO 0.04 -1.00 1.66 1.21 -0.17 0.00 0.00 175.17 176.91 2kdg n GLU 263 N 5.08 2.14 0.00 4.34 2.13 -0.54 -2.44 120.64 131.36 2kdg n GLU 263 Ca 0.17 0.78 0.00 0.00 0.66 0.00 0.00 57.16 58.77 2kdg n GLU 263 Cb 0.37 -2.57 0.00 0.00 0.27 0.00 0.00 31.44 29.51 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 3.69 0.22 3.80 8.31 0.00 0.17 -4.85 105.19 116.53 2kdg n GLY 264 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 2kdg n GLY 264 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kdg s ARG 265 N -0.95 2.58 0.27 1.61 0.52 -1.02 -4.54 118.95 117.42 2kdg s ARG 265 Ca 0.00 0.92 -0.29 0.00 -0.52 0.00 0.00 55.73 55.84 2kdg s ARG 265 Cb 0.00 -1.95 -0.09 0.00 0.52 0.00 0.00 34.95 33.42 2kdg s ARG 265 CO 0.00 -1.34 1.05 0.12 0.02 0.00 0.00 175.30 175.15 2kdg s PHE 266 N -3.04 3.68 0.20 -0.53 2.19 -1.24 -1.74 117.98 117.50 2kdg s PHE 266 Ca 0.59 1.76 -0.13 0.00 0.33 0.00 0.00 56.93 59.48 2kdg s PHE 266 Cb -0.15 -3.19 0.01 0.00 -1.31 0.00 0.00 43.02 38.38 2kdg s PHE 266 CO 0.55 -0.26 0.42 0.00 1.83 0.00 0.00 175.22 177.75 2kdg s ARG 268 N -3.95 1.13 0.15 0.00 1.70 -1.26 -1.03 118.95 115.69 2kdg s ARG 268 Ca 0.16 -1.49 0.04 0.00 -0.47 0.00 0.00 55.73 53.97 2kdg s ARG 268 Cb 0.01 0.29 -0.04 0.00 -0.57 0.00 0.00 34.95 34.63 2kdg s ARG 268 CO 0.01 -0.37 -0.09 -1.64 -1.08 0.00 0.00 175.30 172.13 2kdg s MET 269 N -4.09 1.06 -0.25 3.89 -1.94 -0.03 -4.99 119.30 112.95 2kdg s MET 269 Ca 0.31 -1.46 -0.04 0.00 -1.71 0.00 0.00 55.69 52.79 2kdg s MET 269 Cb 0.06 -0.60 0.09 0.00 2.01 0.00 0.00 34.83 36.39 2kdg s MET 269 CO 0.07 0.06 0.14 -0.51 -0.01 0.00 0.00 175.02 174.77 2kdg s ASP 270 N -3.17 2.89 -0.20 3.03 1.11 -1.26 -3.05 116.67 116.03 2kdg s ASP 270 Ca 0.17 -0.98 -0.02 0.00 0.18 0.00 0.00 52.55 51.90 2kdg s ASP 270 Cb 0.03 -0.20 -0.00 0.00 1.07 0.00 0.00 42.92 43.82 2kdg s ASP 270 CO 0.01 -0.40 -0.09 -0.36 1.18 0.00 0.00 175.17 175.51 2kdg s PHE 271 N 2.15 2.90 -0.03 4.23 0.40 -0.69 -3.89 117.98 123.05 2kdg s PHE 271 Ca 0.07 -1.03 -0.30 0.00 -0.60 0.00 0.00 56.93 55.07 2kdg s PHE 271 Cb -0.16 -2.03 -0.03 0.00 0.51 0.00 0.00 43.02 41.31 2kdg s PHE 271 CO -0.27 -0.55 1.10 0.15 0.70 0.00 0.00 175.22 176.35 2kdg s LYS 272 N 1.26 4.44 0.01 0.44 1.02 -0.91 -0.60 119.74 125.41 2kdg s LYS 272 Ca 0.03 1.56 0.00 0.00 0.02 0.00 0.00 55.97 57.58 2kdg s LYS 272 Cb -0.14 -3.49 -0.01 0.00 -0.52 0.00 0.00 37.83 33.67 2kdg s LYS 272 CO -0.04 -0.28 -0.03 0.54 -0.92 0.00 0.00 175.35 174.62 2kdg s VAL 273 N 1.65 0.17 0.21 3.17 0.11 -0.71 -3.81 120.40 121.18 2kdg s VAL 273 Ca 0.54 -0.52 0.03 0.00 -2.93 0.00 0.00 61.98 59.10 2kdg s VAL 273 Cb -0.23 -0.23 -0.01 0.00 -1.53 0.00 0.00 36.38 34.38 2kdg s VAL 273 CO 0.24 -0.23 0.22 -0.24 -3.33 0.00 0.00 175.10 171.76 2kdg n SER 274 N 2.29 -0.59 0.00 3.54 2.88 -1.26 -4.08 113.62 116.40 2kdg n SER 274 Ca -0.18 -2.31 0.00 0.00 -1.33 0.00 0.00 58.87 55.05 2kdg n SER 274 Cb 0.57 1.24 0.00 0.00 -0.75 0.00 0.00 64.21 65.27 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 -0.38 2.85 3.08 0.46 0.00 -1.26 -3.50 105.19 106.44 2kdg n GLY 275 Ca 0.03 -2.05 -0.12 0.00 0.00 0.00 0.00 46.02 43.88 2kdg n GLY 275 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kdg s LEU 276 N 0.00 0.27 1.06 0.99 2.96 -0.80 -4.34 118.68 118.82 2kdg s LEU 276 Ca 0.00 0.58 -0.12 0.00 -0.22 0.00 0.00 54.13 54.37 2kdg s LEU 276 Cb 0.00 0.82 0.22 0.00 0.50 0.00 0.00 46.19 47.73 2kdg s LEU 276 CO 0.00 -0.18 1.07 -2.16 -1.32 0.00 0.00 176.35 173.76 2kdg s PRO 277 N 1.39 -0.07 0.01 0.98 0.04 -1.26 -1.04 135.00 135.05 2kdg s PRO 277 Ca -0.08 0.66 -0.34 0.00 0.04 0.00 0.00 61.00 61.28 2kdg s PRO 277 Cb -0.10 -1.67 -0.12 0.00 0.04 0.00 0.00 34.50 32.65 2kdg s PRO 277 CO -0.09 -3.11 1.78 0.00 0.04 0.00 0.00 177.00 175.62 2kdg n ALA 278 N -4.46 1.15 -1.75 8.56 0.00 -1.26 -4.85 120.51 117.91 2kdg n ALA 278 Ca 0.04 0.34 -0.35 0.00 0.00 0.00 0.00 53.44 53.47 2kdg n ALA 278 Cb 0.56 -2.46 0.01 0.00 0.00 0.00 0.00 19.45 17.55 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 2.94 3.27 0.32 0.00 0.04 -1.26 -4.92 135.00 135.40 2kdg s PRO 279 Ca 0.87 1.61 -0.28 0.00 0.04 0.00 0.00 61.00 63.24 2kdg s PRO 279 Cb -0.66 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 31.79 2kdg s PRO 279 CO 0.46 -0.91 1.20 0.34 0.04 0.00 0.00 177.00 178.12 2kdg s ASP 280 N -1.82 6.92 -0.02 6.66 2.15 0.07 -4.80 116.67 125.82 2kdg s ASP 280 Ca 0.73 2.47 0.04 0.00 0.43 0.00 0.00 52.55 56.21 2kdg s ASP 280 Cb -0.24 -2.63 -0.01 0.00 -0.30 0.00 0.00 42.92 39.74 2kdg s ASP 280 CO 0.29 -0.41 -0.14 0.68 -0.17 0.00 0.00 175.17 175.42 2kdg s VAL 281 N -1.20 1.12 0.08 1.11 -7.23 -1.26 -1.12 120.40 111.90 2kdg s VAL 281 Ca 0.49 -0.58 0.04 0.00 -1.81 0.00 0.00 61.98 60.11 2kdg s VAL 281 Cb -0.35 -0.95 -0.03 0.00 0.56 0.00 0.00 36.38 35.60 2kdg s VAL 281 CO 0.46 0.32 -0.11 -0.44 -0.31 0.00 0.00 175.10 175.03 2kdg s SER 282 N -0.12 1.40 0.11 4.85 0.01 -0.59 -5.01 113.70 114.35 2kdg s SER 282 Ca 0.01 -0.71 0.07 0.00 1.31 0.00 0.00 55.95 56.63 2kdg s SER 282 Cb -0.08 -0.00 -0.04 0.00 0.21 0.00 0.00 66.02 66.11 2kdg s SER 282 CO 0.00 -0.20 -0.16 0.26 0.41 0.00 0.00 173.24 173.55 2kdg s TRP 283 N -1.91 1.50 0.07 2.43 0.52 -1.26 -1.30 118.94 118.99 2kdg s TRP 283 Ca 0.00 -0.50 -0.07 0.00 0.02 0.00 0.00 56.10 55.56 2kdg s TRP 283 Cb -0.06 -0.80 -0.01 0.00 -1.15 0.00 0.00 33.47 31.45 2kdg s TRP 283 CO 0.01 0.17 0.15 0.71 0.02 0.00 0.00 176.95 178.00 2kdg s TYR 284 N -1.76 0.19 -0.14 -1.98 1.51 -0.06 -0.82 117.35 114.30 2kdg s TYR 284 Ca 0.07 -0.58 -0.06 0.00 -1.01 0.00 0.00 57.07 55.49 2kdg s TYR 284 Cb -0.07 -0.11 0.06 0.00 -0.11 0.00 0.00 41.96 41.73 2kdg s TYR 284 CO 0.04 -0.47 0.30 -1.17 -1.11 0.00 0.00 175.55 173.13 2kdg s LEU 285 N -2.62 -0.18 -0.16 -1.29 2.96 0.03 -1.35 118.68 116.08 2kdg s LEU 285 Ca 0.02 0.68 0.00 0.00 -0.22 0.00 0.00 54.13 54.61 2kdg s LEU 285 Cb 0.03 0.88 0.00 0.00 0.50 0.00 0.00 46.19 47.61 2kdg s LEU 285 CO -0.09 -0.22 0.00 0.59 -1.32 0.00 0.00 176.35 175.32 2kdg n ASN 286 N 4.99 -4.23 0.00 3.68 3.02 -0.65 -1.64 115.26 120.43 2kdg n ASN 286 Ca -0.13 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 2kdg n ASN 286 Cb 0.51 -2.73 0.00 0.00 -0.61 0.00 0.00 39.78 36.95 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 0.61 0.92 3.58 7.41 0.00 -1.26 -5.07 105.19 111.38 2kdg n GLY 287 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.20 1.90 0.76 1.61 1.70 -0.65 -5.16 118.95 118.91 2kdg s ARG 288 Ca 0.00 -1.96 -0.11 0.00 -0.47 0.00 0.00 55.73 53.19 2kdg s ARG 288 Cb 0.00 -1.72 0.05 0.00 -0.57 0.00 0.00 34.95 32.71 2kdg s ARG 288 CO 0.00 0.08 1.08 0.95 -1.08 0.00 0.00 175.30 176.33 2kdg s THR 289 N -2.63 3.49 -0.38 4.99 -4.23 -1.26 -0.79 115.64 114.84 2kdg s THR 289 Ca 0.34 0.49 0.01 0.00 -1.18 0.00 0.00 61.69 61.34 2kdg s THR 289 Cb 0.04 -3.10 0.13 0.00 1.34 0.00 0.00 72.50 70.91 2kdg s THR 289 CO 0.17 -0.63 0.20 -0.69 -0.54 0.00 0.00 174.62 173.13 2kdg s VAL 290 N -3.00 0.83 0.44 2.29 1.01 0.00 -4.62 120.40 117.36 2kdg s VAL 290 Ca 0.60 -2.01 -0.24 0.00 0.00 0.00 0.00 61.98 60.34 2kdg s VAL 290 Cb -0.16 -1.60 -0.08 0.00 0.00 0.00 0.00 36.38 34.55 2kdg s VAL 290 CO 0.55 -0.88 1.18 -1.10 0.00 0.00 0.00 175.10 174.86 2kdg s GLN 291 N 0.87 3.85 0.58 2.72 -0.21 -1.26 -4.34 119.66 121.87 2kdg s GLN 291 Ca 0.16 1.84 -0.16 0.00 0.02 0.00 0.00 55.36 57.22 2kdg s GLN 291 Cb -0.23 -2.52 -0.04 0.00 1.00 0.00 0.00 33.01 31.23 2kdg s GLN 291 CO -0.05 -0.50 1.06 -1.54 -2.12 0.00 0.00 175.29 172.15 2kdg s SER 292 N -1.22 5.80 0.11 5.90 1.04 -1.26 -4.96 113.70 119.11 2kdg s SER 292 Ca 0.61 1.86 -0.03 0.00 0.48 0.00 0.00 55.95 58.87 2kdg s SER 292 Cb -0.30 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.29 2kdg s SER 292 CO 0.38 -1.16 0.21 -0.90 0.98 0.00 0.00 173.24 172.75 2kdg n ASP 293 N -1.90 -0.60 0.26 7.02 5.68 -0.26 -4.99 116.55 121.76 2kdg n ASP 293 Ca 0.09 -1.50 0.17 0.00 -0.50 0.00 0.00 54.79 53.05 2kdg n ASP 293 Cb 0.53 1.03 0.90 0.00 -1.14 0.00 0.00 41.12 42.43 2kdg n ASP 293 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 2kdg h ASP 294 N 0.59 0.00 0.00 -1.12 3.58 -2.02 -2.96 116.42 114.49 2kdg h ASP 294 Ca -0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2kdg h ASP 294 Cb 0.36 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.41 2kdg h ASP 294 CO 0.12 0.00 -1.22 0.18 -2.88 0.00 0.00 179.24 175.44 2kdg n LEU 295 N -2.73 0.04 -3.95 2.28 4.77 -1.26 -4.90 117.00 111.25 2kdg n LEU 295 Ca -0.02 -0.06 -0.30 0.00 -0.03 0.00 0.00 56.01 55.60 2kdg n LEU 295 Cb 0.09 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.04 2kdg n LEU 295 CO 0.17 0.01 -0.24 -1.00 -1.33 0.00 0.00 177.39 175.00 2kdg s HIS 296 N -2.42 3.24 -0.24 -1.77 3.76 -1.12 -1.28 115.29 115.47 2kdg s HIS 296 Ca -0.02 -3.03 -0.07 0.00 -0.15 0.00 0.00 55.06 51.79 2kdg s HIS 296 Cb 0.05 -2.76 -0.03 0.00 1.11 0.00 0.00 32.58 30.95 2kdg s HIS 296 CO 0.31 -0.81 0.05 0.15 -0.85 0.00 0.00 174.74 173.59 2kdg s LYS 297 N 0.17 3.65 -0.31 1.40 1.02 -0.64 -1.10 119.74 123.93 2kdg s LYS 297 Ca 0.15 -0.48 0.00 0.00 0.02 0.00 0.00 55.97 55.66 2kdg s LYS 297 Cb -0.23 -3.26 0.10 0.00 -0.52 0.00 0.00 37.83 33.91 2kdg s LYS 297 CO -0.03 -0.13 0.08 -1.64 -0.92 0.00 0.00 175.35 172.71 2kdg s MET 298 N 1.44 0.94 0.14 1.68 -1.94 -1.26 -0.87 119.30 119.42 2kdg s MET 298 Ca 0.05 -1.26 0.03 0.00 -1.71 0.00 0.00 55.69 52.80 2kdg s MET 298 Cb -0.15 -2.32 -0.04 0.00 2.01 0.00 0.00 34.83 34.32 2kdg s MET 298 CO 0.03 -0.95 -0.05 0.96 -0.01 0.00 0.00 175.02 174.99 2kdg s ILE 299 N 1.43 0.83 0.37 2.53 -0.00 -1.20 -5.00 121.20 120.15 2kdg s ILE 299 Ca 0.09 -1.99 0.08 0.00 -0.00 0.00 0.00 60.65 58.84 2kdg s ILE 299 Cb -0.18 -1.90 -0.04 0.00 -0.00 0.00 0.00 42.46 40.34 2kdg s ILE 299 CO -0.20 -0.69 0.17 0.68 -0.00 0.00 0.00 174.94 174.91 2kdg s VAL 300 N -3.55 2.76 0.05 8.37 -7.23 -1.26 -1.06 120.40 118.48 2kdg s VAL 300 Ca 0.18 -1.67 0.03 0.00 -1.81 0.00 0.00 61.98 58.71 2kdg s VAL 300 Cb 0.05 -2.98 -0.03 0.00 0.56 0.00 0.00 36.38 33.98 2kdg s VAL 300 CO -0.00 -0.11 -0.10 -0.55 -0.31 0.00 0.00 175.10 174.03 2kdg s SER 301 N -3.89 1.18 0.64 4.85 0.15 -0.23 -4.97 113.70 111.43 2kdg s SER 301 Ca 0.40 -0.56 0.40 0.00 0.70 0.00 0.00 55.95 56.89 2kdg s SER 301 Cb -0.01 -0.00 2.20 0.00 -1.71 0.00 0.00 66.02 66.51 2kdg s SER 301 CO 0.23 -0.14 2.24 1.05 1.20 0.00 0.00 173.24 177.82 2kdg h GLU 302 N 4.48 0.00 0.00 5.44 4.11 -2.02 -2.67 114.58 123.92 2kdg h GLU 302 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.06 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 0.41 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.12 2kdg n LYS 303 N -2.97 0.65 -1.75 1.06 4.76 -1.26 -4.89 118.16 113.75 2kdg n LYS 303 Ca -0.03 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 2kdg n LYS 303 Cb 0.12 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 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 0.75 0.64 3.03 0.72 0.00 -1.01 -5.02 105.19 104.31 2kdg n GLY 304 Ca 0.17 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.30 2.26 -0.09 0.99 2.96 -1.23 -1.74 118.68 120.53 2kdg s LEU 305 Ca 0.00 -0.55 0.00 0.00 -0.22 0.00 0.00 54.13 53.36 2kdg s LEU 305 Cb 0.00 -0.03 0.02 0.00 0.50 0.00 0.00 46.19 46.68 2kdg s LEU 305 CO 0.00 -0.27 -0.07 -2.28 -1.32 0.00 0.00 176.35 172.41 2kdg s HIS 306 N -1.56 1.26 0.27 5.38 5.65 0.24 -1.07 115.29 125.47 2kdg s HIS 306 Ca -0.12 -0.54 -0.02 0.00 0.25 0.00 0.00 55.06 54.64 2kdg s HIS 306 Cb -0.09 -1.05 -0.04 0.00 -1.18 0.00 0.00 32.58 30.21 2kdg s HIS 306 CO -0.01 -0.39 0.49 -1.12 -0.65 0.00 0.00 174.74 173.07 2kdg s SER 307 N 1.37 6.38 -0.12 9.88 0.01 -0.23 -1.71 113.70 129.29 2kdg s SER 307 Ca -0.02 0.53 -0.02 0.00 1.31 0.00 0.00 55.95 57.75 2kdg s SER 307 Cb -0.14 -2.06 0.04 0.00 0.21 0.00 0.00 66.02 64.07 2kdg s SER 307 CO -0.04 -0.17 -0.00 -0.22 0.41 0.00 0.00 173.24 173.23 2kdg s LEU 308 N -3.67 0.94 -0.08 2.44 0.20 -1.17 -3.25 118.68 114.08 2kdg s LEU 308 Ca 0.41 -0.39 0.04 0.00 0.69 0.00 0.00 54.13 54.87 2kdg s LEU 308 Cb -0.10 -0.58 -0.01 0.00 -0.43 0.00 0.00 46.19 45.06 2kdg s LEU 308 CO 0.31 -0.22 -0.20 -0.63 -0.29 0.00 0.00 176.35 175.32 2kdg s ILE 309 N 1.87 2.50 -0.35 6.68 1.09 -0.05 -0.85 121.20 132.10 2kdg s ILE 309 Ca 0.03 -0.89 -0.06 0.00 -1.10 0.00 0.00 60.65 58.63 2kdg s ILE 309 Cb -0.14 -1.97 0.05 0.00 -1.06 0.00 0.00 42.46 39.34 2kdg s ILE 309 CO -0.07 0.56 0.12 -0.36 -0.10 0.00 0.00 174.94 175.10 2kdg s PHE 310 N -0.05 3.28 0.26 3.97 0.40 -0.20 -1.62 117.98 124.03 2kdg s PHE 310 Ca -0.05 -1.52 -0.03 0.00 -0.60 0.00 0.00 56.93 54.73 2kdg s PHE 310 Cb -0.14 -2.41 0.32 0.00 0.51 0.00 0.00 43.02 41.30 2kdg s PHE 310 CO 0.04 -0.76 1.79 0.93 0.70 0.00 0.00 175.22 177.92 2kdg h GLU 311 N 8.22 0.90 -1.70 0.44 4.39 -1.46 -1.92 114.58 123.46 2kdg h GLU 311 Ca -0.22 -0.20 -0.30 0.00 0.34 0.00 0.00 59.36 58.98 2kdg h GLU 311 Cb 1.08 -0.13 -0.28 0.00 -0.10 0.00 0.00 28.75 29.32 2kdg h GLU 311 CO 0.62 0.82 -0.63 0.54 -1.16 0.00 0.00 179.01 179.20 2kdg s VAL 312 N -5.20 -0.49 0.30 3.13 0.11 -1.25 -3.70 120.40 113.30 2kdg s VAL 312 Ca -0.10 -0.81 -0.29 0.00 -2.93 0.00 0.00 61.98 57.84 2kdg s VAL 312 Cb 0.15 -0.50 -0.10 0.00 -1.53 0.00 0.00 36.38 34.40 2kdg s VAL 312 CO 0.81 -0.45 1.35 0.54 -3.33 0.00 0.00 175.10 174.03 2kdg s VAL 313 N 1.45 2.70 0.27 2.04 0.11 -0.71 -4.84 120.40 121.42 2kdg s VAL 313 Ca 0.18 0.66 0.11 0.00 -2.93 0.00 0.00 61.98 60.00 2kdg s VAL 313 Cb -0.12 -3.42 -0.05 0.00 -1.53 0.00 0.00 36.38 31.26 2kdg s VAL 313 CO -0.04 0.14 -0.18 -0.13 -3.33 0.00 0.00 175.10 171.56 2kdg s ARG 314 N -1.32 1.62 0.42 1.54 1.81 -1.26 -0.66 118.95 121.10 2kdg s ARG 314 Ca 0.52 -1.75 0.13 0.00 -1.72 0.00 0.00 55.73 52.92 2kdg s ARG 314 Cb -0.40 -1.64 0.98 0.00 -0.45 0.00 0.00 34.95 33.44 2kdg s ARG 314 CO 0.50 0.29 1.96 0.00 -0.68 0.00 0.00 175.30 177.36 2kdg h ALA 315 N 2.31 1.98 0.00 2.13 0.00 -1.97 -0.65 119.26 123.06 2kdg h ALA 315 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2kdg h ALA 315 Cb 1.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2kdg h ALA 315 CO 0.61 -0.13 0.00 0.77 0.00 0.00 0.00 179.25 180.50 2kdg h SER 316 N 0.48 0.00 0.67 0.00 0.02 -1.97 -2.95 113.55 109.80 2kdg h SER 316 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 2kdg h SER 316 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 2kdg h SER 316 CO -0.10 0.00 -0.08 0.47 -1.14 0.00 0.00 176.83 175.98 2kdg n ASP 317 N -2.53 0.16 -4.76 3.07 8.00 -0.25 -4.92 116.55 115.33 2kdg n ASP 317 Ca -0.00 -0.03 -0.37 0.00 0.71 0.00 0.00 54.79 55.10 2kdg n ASP 317 Cb 0.16 -0.25 0.02 0.00 -0.02 0.00 0.00 41.12 41.03 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 -2.75 2.79 0.00 2.24 0.00 -1.12 -4.92 121.76 118.00 2kdg s ALA 318 Ca 0.22 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.31 2kdg s ALA 318 Cb 0.19 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.83 2kdg s ALA 318 CO 0.52 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 175.58 2kdg n GLY 319 N 0.59 0.85 3.56 0.00 0.00 -0.27 -4.98 105.19 104.94 2kdg n GLY 319 Ca 0.10 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.19 3.11 0.39 4.61 0.00 -1.26 -1.17 121.76 126.25 2kdg s ALA 320 Ca 0.00 -0.93 -0.16 0.00 0.00 0.00 0.00 51.96 50.87 2kdg s ALA 320 Cb 0.00 -3.86 -0.09 0.00 0.00 0.00 0.00 23.12 19.17 2kdg s ALA 320 CO 0.00 -2.43 0.84 0.71 0.00 0.00 0.00 175.76 174.88 2kdg s TYR 321 N 4.37 3.37 0.07 0.00 2.02 -0.22 -1.64 117.35 125.34 2kdg s TYR 321 Ca 0.38 1.35 -0.05 0.00 -0.37 0.00 0.00 57.07 58.39 2kdg s TYR 321 Cb -0.10 -2.65 -0.02 0.00 -0.40 0.00 0.00 41.96 38.79 2kdg s TYR 321 CO 0.24 -0.05 0.08 0.00 -1.57 0.00 0.00 175.55 174.25 2kdg s ALA 322 N -2.17 0.19 0.03 3.71 0.00 -0.46 -1.56 121.76 121.50 2kdg s ALA 322 Ca 0.57 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.61 2kdg s ALA 322 Cb -0.10 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.41 2kdg s ALA 322 CO 0.19 -0.44 -0.10 0.00 0.00 0.00 0.00 175.76 175.41 2kdg s VAL 324 N -0.86 1.24 -0.16 0.00 1.01 -0.42 -0.99 120.40 120.23 2kdg s VAL 324 Ca -0.02 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.44 2kdg s VAL 324 Cb -0.07 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.20 2kdg s VAL 324 CO 0.01 0.38 -0.17 0.00 0.00 0.00 0.00 175.10 175.32 2kdg s ALA 325 N 0.71 2.07 -0.03 5.51 0.00 -0.21 -1.55 121.76 128.26 2kdg s ALA 325 Ca -0.13 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 50.82 2kdg s ALA 325 Cb -0.16 -1.08 0.01 0.00 0.00 0.00 0.00 23.12 21.88 2kdg s ALA 325 CO 0.03 -0.32 -0.10 0.15 0.00 0.00 0.00 175.76 175.53 2kdg s LYS 326 N 1.32 1.10 0.35 0.00 1.02 -0.27 -0.88 119.74 122.37 2kdg s LYS 326 Ca 0.03 -0.32 0.03 0.00 0.02 0.00 0.00 55.97 55.74 2kdg s LYS 326 Cb -0.13 -1.00 -0.01 0.00 -0.52 0.00 0.00 37.83 36.16 2kdg s LYS 326 CO -0.10 0.09 0.13 0.27 -0.92 0.00 0.00 175.35 174.82 2kdg n ASN 327 N 3.42 1.18 0.04 2.83 0.23 -0.54 -0.75 115.26 121.67 2kdg n ASN 327 Ca -0.19 -2.88 0.03 0.00 -0.53 0.00 0.00 54.58 51.01 2kdg n ASN 327 Cb 0.53 0.89 0.16 0.00 -2.08 0.00 0.00 39.78 39.29 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 -0.79 0.04 -0.00 -3.83 1.85 -1.26 -2.85 116.66 109.81 2kdg n ARG 328 Ca -0.05 0.54 0.03 0.00 -1.00 0.00 0.00 57.85 57.36 2kdg n ARG 328 Cb 0.53 -1.62 -0.04 0.00 -1.05 0.00 0.00 32.46 30.27 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 -1.58 2.28 0.00 2.89 0.00 -1.26 -5.09 120.51 117.76 2kdg n ALA 329 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2kdg n ALA 329 Cb 0.01 -0.19 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 2.03 -1.29 3.01 0.00 0.00 -1.13 -4.55 105.19 103.27 2kdg n GLY 330 Ca -0.01 -0.92 -0.16 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.57 0.54 0.11 1.61 2.12 -1.26 -1.46 118.70 119.79 2kdg s GLU 331 Ca 0.00 -0.43 0.02 0.00 0.36 0.00 0.00 54.97 54.92 2kdg s GLU 331 Cb 0.00 -0.46 -0.04 0.00 0.26 0.00 0.00 34.13 33.89 2kdg s GLU 331 CO 0.00 0.11 -0.07 0.00 -0.54 0.00 0.00 175.26 174.76 2kdg s ALA 332 N -0.59 1.11 0.01 6.30 0.00 -0.06 -4.79 121.76 123.74 2kdg s ALA 332 Ca -0.02 -1.39 0.01 0.00 0.00 0.00 0.00 51.96 50.56 2kdg s ALA 332 Cb -0.05 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.20 2kdg s ALA 332 CO 0.00 -0.20 -0.03 0.99 0.00 0.00 0.00 175.76 176.52 2kdg s THR 333 N -3.55 0.17 0.05 0.00 2.01 -1.26 -1.04 115.64 112.02 2kdg s THR 333 Ca 0.13 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.62 2kdg s THR 333 Cb 0.05 -0.24 -0.03 0.00 0.01 0.00 0.00 72.50 72.29 2kdg s THR 333 CO -0.03 -0.23 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.24 2kdg s PHE 334 N -0.77 0.68 -0.03 4.92 0.08 -0.16 -4.95 117.98 117.75 2kdg s PHE 334 Ca -0.07 -0.63 -0.07 0.00 0.12 0.00 0.00 56.93 56.27 2kdg s PHE 334 Cb -0.06 -0.41 0.01 0.00 -0.57 0.00 0.00 43.02 41.99 2kdg s PHE 334 CO -0.00 -0.12 0.17 0.99 -0.10 0.00 0.00 175.22 176.15 2kdg s THR 335 N -2.06 0.05 0.27 0.64 2.01 -1.26 -0.91 115.64 114.38 2kdg s THR 335 Ca -0.04 -0.40 -0.13 0.00 0.31 0.00 0.00 61.69 61.43 2kdg s THR 335 Cb -0.05 -0.37 0.00 0.00 0.01 0.00 0.00 72.50 72.09 2kdg s THR 335 CO -0.01 -0.22 0.53 0.54 -0.69 0.00 0.00 174.62 174.76 2kdg s VAL 336 N -0.78 0.00 0.02 3.82 0.11 -0.60 -4.80 120.40 118.17 2kdg s VAL 336 Ca -0.09 -1.36 0.05 0.00 -2.93 0.00 0.00 61.98 57.65 2kdg s VAL 336 Cb -0.05 -2.30 -0.02 0.00 -1.53 0.00 0.00 36.38 32.49 2kdg s VAL 336 CO 0.01 0.00 -0.15 -1.58 -3.33 0.00 0.00 175.10 170.05 2kdg s GLN 337 N -3.74 1.13 -0.24 1.54 0.74 -1.26 -1.05 119.66 116.77 2kdg s GLN 337 Ca 0.22 -0.68 0.00 0.00 0.05 0.00 0.00 55.36 54.95 2kdg s GLN 337 Cb -0.02 -1.13 0.06 0.00 1.10 0.00 0.00 33.01 33.03 2kdg s GLN 337 CO 0.11 0.30 -0.03 -1.17 -0.55 0.00 0.00 175.29 173.94 2kdg s LEU 338 N -0.78 2.38 0.28 3.68 2.96 -0.32 -1.79 118.68 125.10 2kdg s LEU 338 Ca 0.04 -1.17 -0.28 0.00 -0.22 0.00 0.00 54.13 52.50 2kdg s LEU 338 Cb -0.07 -1.08 -0.09 0.00 0.50 0.00 0.00 46.19 45.45 2kdg s LEU 338 CO 0.00 -0.26 0.97 -1.81 -1.32 0.00 0.00 176.35 173.93 2kdg s ASP 339 N 1.47 7.43 -0.29 3.68 1.01 -0.10 -1.12 116.67 128.76 2kdg s ASP 339 Ca -0.04 1.96 0.03 0.00 0.71 0.00 0.00 52.55 55.22 2kdg s ASP 339 Cb -0.18 -2.60 0.07 0.00 1.01 0.00 0.00 42.92 41.22 2kdg s ASP 339 CO -0.08 -0.00 -0.05 -0.69 0.21 0.00 0.00 175.17 174.56 2kdg s VAL 340 N -1.36 2.15 -0.70 -1.27 1.01 -1.26 -1.76 120.40 117.21 2kdg s VAL 340 Ca 0.46 -1.85 -0.26 0.00 0.00 0.00 0.00 61.98 60.33 2kdg s VAL 340 Cb -0.24 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 2kdg s VAL 340 CO 0.30 -0.23 1.91 -0.76 0.00 0.00 0.00 175.10 176.32 2kdg s LEU 341 N 1.06 3.25 0.73 3.92 1.43 0.07 -4.87 118.68 124.28 2kdg s LEU 341 Ca -0.02 0.04 -0.15 0.00 -1.03 0.00 0.00 54.13 52.97 2kdg s LEU 341 Cb -0.20 -2.54 0.04 0.00 0.03 0.00 0.00 46.19 43.53 2kdg s LEU 341 CO -0.06 -2.53 1.20 0.00 0.23 0.00 0.00 176.35 175.19 2kdg s ALA 342 N 9.56 2.11 0.00 4.21 0.00 -1.26 -1.46 121.76 134.93 2kdg s ALA 342 Ca 0.69 0.86 0.00 0.00 0.00 0.00 0.00 51.96 53.51 2kdg s ALA 342 Cb -0.11 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2kdg s ALA 342 CO 0.14 -1.88 0.00 1.17 0.00 0.00 0.00 175.76 175.19 2kdg n LYS 343 N -2.75 2.45 0.00 0.00 4.81 -1.26 -4.83 118.16 116.58 2kdg n LYS 343 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 2kdg n LYS 343 Cb 0.50 -0.73 0.01 0.00 0.02 0.00 0.00 35.03 34.83 2kdg n LYS 343 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96