#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u3j s LEU 248 N 0.00 4.42 -0.20 1.20 1.43 -1.26 -4.93 118.68 119.34 1u3j s LEU 248 Ca 0.00 2.47 -0.11 0.00 -1.03 0.00 0.00 54.13 55.46 1u3j s LEU 248 Cb 0.00 -3.72 0.06 0.00 0.03 0.00 0.00 46.19 42.56 1u3j s LEU 248 CO 0.00 -0.43 0.49 -0.75 0.23 0.00 0.00 176.35 175.89 1u3j s LYS 249 N -1.78 0.48 -0.45 1.70 2.20 -1.26 -4.29 119.74 116.33 1u3j s LYS 249 Ca 0.49 0.90 -0.23 0.00 -0.36 0.00 0.00 55.97 56.77 1u3j s LYS 249 Cb -0.35 0.03 0.03 0.00 -1.51 0.00 0.00 37.83 36.03 1u3j s LYS 249 CO 0.46 -0.15 0.78 0.42 -0.36 0.00 0.00 175.35 176.49 1u3j s ILE 250 N 1.42 4.66 0.02 5.43 1.01 -1.26 -2.19 121.20 130.29 1u3j s ILE 250 Ca -0.09 0.38 -0.10 0.00 0.00 0.00 0.00 60.65 60.84 1u3j s ILE 250 Cb -0.07 -4.32 -0.32 0.00 0.01 0.00 0.00 42.46 37.76 1u3j s ILE 250 CO -0.14 -0.73 0.94 0.58 0.00 0.00 0.00 174.94 175.59 1u3j h VAL 251 N 5.97 1.24 -1.94 2.92 2.07 -1.03 -3.48 116.25 122.00 1u3j h VAL 251 Ca -0.25 -2.77 0.01 0.00 0.82 0.00 0.00 66.70 64.52 1u3j h VAL 251 Cb 1.09 2.91 -0.20 0.00 -1.52 0.00 0.00 31.29 33.57 1u3j h VAL 251 CO 0.96 0.84 0.36 -0.60 0.02 0.00 0.00 177.57 179.15 1u3j s ARG 252 N -2.61 0.88 -0.00 1.57 3.00 -1.04 -4.99 118.95 115.75 1u3j s ARG 252 Ca -0.09 0.11 0.05 0.00 -1.00 0.00 0.00 55.73 54.79 1u3j s ARG 252 Cb 0.06 0.41 -0.01 0.00 0.00 0.00 0.00 34.95 35.40 1u3j s ARG 252 CO 0.90 -0.30 -0.16 -1.64 0.00 0.00 0.00 175.30 174.10 1u3j s MET 253 N -1.55 1.23 0.26 5.12 -1.94 -1.26 -0.48 119.30 120.69 1u3j s MET 253 Ca -0.05 -0.61 0.26 0.00 -1.71 0.00 0.00 55.69 53.58 1u3j s MET 253 Cb -0.00 -1.21 0.76 0.00 2.01 0.00 0.00 34.83 36.39 1u3j s MET 253 CO 0.03 0.33 1.75 0.38 -0.01 0.00 0.00 175.02 177.50 1u3j h ASP 254 N 5.59 0.00 -3.62 3.03 2.03 -1.54 -3.43 116.42 118.48 1u3j h ASP 254 Ca -0.36 0.00 -0.25 0.00 -0.73 0.00 0.00 57.03 55.69 1u3j h ASP 254 Cb 1.16 0.00 -0.30 0.00 -0.83 0.00 0.00 39.33 39.35 1u3j h ASP 254 CO 0.48 0.00 -0.69 -0.13 -1.03 0.00 0.00 179.24 177.87 1u3j s ARG 255 N -3.15 0.02 -0.16 4.15 0.52 -1.26 -5.01 118.95 114.05 1u3j s ARG 255 Ca 0.09 0.14 0.17 0.00 -0.52 0.00 0.00 55.73 55.62 1u3j s ARG 255 Cb 0.11 -0.10 0.39 0.00 0.52 0.00 0.00 34.95 35.87 1u3j s ARG 255 CO 0.59 -0.09 1.27 0.25 0.02 0.00 0.00 175.30 177.34 1u3j n THR 256 N 3.62 2.08 -3.78 0.02 -2.24 -1.26 -5.00 114.28 107.71 1u3j n THR 256 Ca -0.20 -2.18 -0.10 0.00 -2.27 0.00 0.00 64.05 59.30 1u3j n THR 256 Cb 0.55 -0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 68.47 1u3j n THR 256 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u3j s ALA 257 N -2.89 -0.47 -0.05 6.98 0.00 -1.26 -1.65 121.76 122.42 1u3j s ALA 257 Ca 0.37 -0.39 -0.31 0.00 0.00 0.00 0.00 51.96 51.63 1u3j s ALA 257 Cb 0.31 0.53 0.11 0.00 0.00 0.00 0.00 23.12 24.07 1u3j s ALA 257 CO 0.05 -0.54 1.07 0.20 0.00 0.00 0.00 175.76 176.54 1u3j s GLY 258 N -2.75 -0.37 0.26 0.00 0.00 -0.52 -4.95 107.32 98.99 1u3j s GLY 258 Ca 0.03 1.07 -0.30 0.00 0.00 0.00 0.00 44.72 45.53 1u3j s GLY 258 CO -0.10 0.34 1.31 0.00 0.00 0.00 0.00 173.10 174.64 1u3j h VAL 260 N 3.42 0.04 -0.00 0.00 3.04 -1.72 -1.39 116.25 119.63 1u3j h VAL 260 Ca -0.46 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 1u3j h VAL 260 Cb 1.22 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 31.33 1u3j h VAL 260 CO 0.72 0.00 -0.04 0.35 -1.01 0.00 0.00 177.57 177.59 1u3j n THR 261 N -3.04 0.00 -4.68 3.17 -2.24 -1.26 -1.34 114.28 104.88 1u3j n THR 261 Ca -0.02 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1u3j n THR 261 Cb 0.24 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 1u3j n THR 261 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u3j n GLY 262 N 1.46 -1.08 2.11 3.38 0.00 -0.53 -4.30 105.19 106.22 1u3j n GLY 262 Ca 0.08 -1.11 -0.03 0.00 0.00 0.00 0.00 46.02 44.96 1u3j n GLY 262 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u3j n GLY 263 N 0.00 0.64 3.70 -0.02 0.00 0.36 -4.92 105.19 104.95 1u3j n GLY 263 Ca 0.00 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 1u3j n GLY 263 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u3j s GLU 264 N -2.20 3.81 0.05 1.61 2.02 -1.26 -4.74 118.70 117.98 1u3j s GLU 264 Ca 0.00 -0.29 -0.31 0.00 0.02 0.00 0.00 54.97 54.40 1u3j s GLU 264 Cb 0.00 -3.20 -0.06 0.00 0.10 0.00 0.00 34.13 30.97 1u3j s GLU 264 CO 0.00 0.42 1.30 -2.00 0.02 0.00 0.00 175.26 175.00 1u3j s GLU 265 N -0.03 4.36 0.03 1.61 2.12 -1.26 -1.15 118.70 124.38 1u3j s GLU 265 Ca 0.07 1.89 0.06 0.00 0.36 0.00 0.00 54.97 57.35 1u3j s GLU 265 Cb -0.12 -3.40 -0.02 0.00 0.26 0.00 0.00 34.13 30.85 1u3j s GLU 265 CO 0.01 -0.40 -0.17 0.42 -0.54 0.00 0.00 175.26 174.58 1u3j s ILE 266 N 1.53 1.32 -0.20 -3.70 1.01 0.11 -4.97 121.20 116.30 1u3j s ILE 266 Ca 0.61 -1.03 -0.06 0.00 0.00 0.00 0.00 60.65 60.17 1u3j s ILE 266 Cb -0.31 -1.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 1u3j s ILE 266 CO 0.28 0.12 0.04 -0.32 0.00 0.00 0.00 174.94 175.06 1u3j s MET 267 N -1.05 3.77 -0.10 2.79 1.75 -1.26 -1.66 119.30 123.53 1u3j s MET 267 Ca 0.04 -0.45 0.03 0.00 -1.25 0.00 0.00 55.69 54.07 1u3j s MET 267 Cb -0.08 -3.17 0.01 0.00 2.84 0.00 0.00 34.83 34.43 1u3j s MET 267 CO 0.01 0.09 -0.20 -1.17 -0.65 0.00 0.00 175.02 173.10 1u3j s LEU 268 N 0.84 1.95 -0.13 4.11 0.20 -0.49 -1.16 118.68 123.99 1u3j s LEU 268 Ca 0.02 -0.49 -0.11 0.00 0.69 0.00 0.00 54.13 54.24 1u3j s LEU 268 Cb -0.14 -1.24 -0.05 0.00 -0.43 0.00 0.00 46.19 44.33 1u3j s LEU 268 CO 0.02 0.10 0.24 -0.76 -0.29 0.00 0.00 176.35 175.66 1u3j s LEU 269 N 0.56 4.32 0.07 -0.68 1.43 0.37 -0.56 118.68 124.19 1u3j s LEU 269 Ca -0.15 0.52 -0.02 0.00 -1.03 0.00 0.00 54.13 53.45 1u3j s LEU 269 Cb -0.17 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 1u3j s LEU 269 CO 0.05 0.24 0.01 0.00 0.23 0.00 0.00 176.35 176.89 1u3j s ASP 271 N -2.94 1.51 0.17 0.00 1.01 -0.93 -4.49 116.67 110.99 1u3j s ASP 271 Ca 0.11 0.50 -0.32 0.00 0.71 0.00 0.00 52.55 53.55 1u3j s ASP 271 Cb 0.08 -0.67 -0.11 0.00 1.01 0.00 0.00 42.92 43.22 1u3j s ASP 271 CO -0.07 -3.75 1.76 -0.75 0.21 0.00 0.00 175.17 172.57 1u3j s LYS 272 N -5.57 4.13 0.31 8.23 2.20 -1.25 -4.69 119.74 123.10 1u3j s LYS 272 Ca 0.72 2.60 0.08 0.00 -0.36 0.00 0.00 55.97 59.01 1u3j s LYS 272 Cb -0.08 -3.28 -0.06 0.00 -1.51 0.00 0.00 37.83 32.90 1u3j s LYS 272 CO 0.55 -0.79 -0.07 0.14 -0.36 0.00 0.00 175.35 174.83 1u3j s VAL 273 N 1.80 1.89 -0.25 4.02 -7.23 -0.18 -4.93 120.40 115.52 1u3j s VAL 273 Ca 0.77 -2.15 -0.13 0.00 -1.81 0.00 0.00 61.98 58.66 1u3j s VAL 273 Cb -0.48 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 33.85 1u3j s VAL 273 CO 0.34 -0.23 0.30 -1.10 -0.31 0.00 0.00 175.10 174.09 1u3j s GLN 274 N -3.68 4.05 0.54 4.82 -1.52 -1.26 -4.61 119.66 118.00 1u3j s GLN 274 Ca 0.31 -0.06 0.24 0.00 -1.95 0.00 0.00 55.36 53.91 1u3j s GLN 274 Cb 0.04 -3.61 1.50 0.00 -0.22 0.00 0.00 33.01 30.72 1u3j s GLN 274 CO 0.14 -0.14 2.15 1.57 -0.25 0.00 0.00 175.29 178.76 1u3j h LYS 275 N 7.90 0.00 -0.03 2.91 2.10 -1.96 -0.26 116.57 127.23 1u3j h LYS 275 Ca -0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.31 1u3j h LYS 275 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1u3j h LYS 275 CO 0.64 0.06 0.00 -0.25 -2.00 0.00 0.00 179.45 177.90 1u3j n ASP 276 N -4.00 1.98 -2.65 7.07 9.92 -1.26 -4.30 116.55 123.31 1u3j n ASP 276 Ca -0.03 -1.66 -0.09 0.00 -0.53 0.00 0.00 54.79 52.48 1u3j n ASP 276 Cb 0.15 -0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.66 1u3j n ASP 276 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1u3j n ASP 277 N 0.55 2.16 -3.86 -2.24 2.03 -0.12 -4.97 116.55 110.10 1u3j n ASP 277 Ca 0.17 -2.66 -0.12 0.00 0.52 0.00 0.00 54.79 52.70 1u3j n ASP 277 Cb 0.43 -0.49 -0.13 0.00 -0.72 0.00 0.00 41.12 40.21 1u3j n ASP 277 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1u3j s ILE 278 N -3.77 0.00 0.09 5.18 1.10 -1.16 -3.25 121.20 119.40 1u3j s ILE 278 Ca 0.31 -0.04 -0.01 0.00 -0.51 0.00 0.00 60.65 60.41 1u3j s ILE 278 Cb 0.40 -0.10 -0.04 0.00 0.15 0.00 0.00 42.46 42.87 1u3j s ILE 278 CO -0.01 -0.02 -0.00 0.00 -2.11 0.00 0.00 174.94 172.79 1u3j s GLN 279 N -0.04 0.77 -0.24 3.50 -2.07 -0.23 -4.87 119.66 116.49 1u3j s GLN 279 Ca -0.01 -1.32 -0.00 0.00 -1.82 0.00 0.00 55.36 52.21 1u3j s GLN 279 Cb -0.01 0.14 0.03 0.00 -1.09 0.00 0.00 33.01 32.09 1u3j s GLN 279 CO 0.00 -0.15 -0.10 0.42 -1.32 0.00 0.00 175.29 174.14 1u3j s ILE 280 N -3.91 2.58 -0.23 3.63 1.01 -1.26 -1.80 121.20 121.22 1u3j s ILE 280 Ca 0.14 -1.12 -0.07 0.00 0.00 0.00 0.00 60.65 59.61 1u3j s ILE 280 Cb 0.07 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.21 1u3j s ILE 280 CO -0.05 0.23 0.05 -0.60 0.00 0.00 0.00 174.94 174.56 1u3j s ARG 281 N 1.28 3.64 -0.13 2.79 3.52 0.32 -0.81 118.95 129.56 1u3j s ARG 281 Ca -0.01 -0.49 -0.10 0.00 -0.13 0.00 0.00 55.73 55.01 1u3j s ARG 281 Cb -0.17 -3.24 -0.05 0.00 -1.56 0.00 0.00 34.95 29.94 1u3j s ARG 281 CO -0.06 -0.12 0.19 -0.06 -0.81 0.00 0.00 175.30 174.44 1u3j s PHE 282 N 1.40 3.54 0.12 5.12 0.40 0.28 -0.64 117.98 128.21 1u3j s PHE 282 Ca 0.05 0.54 -0.15 0.00 -0.60 0.00 0.00 56.93 56.77 1u3j s PHE 282 Cb -0.15 -2.09 0.03 0.00 0.51 0.00 0.00 43.02 41.32 1u3j s PHE 282 CO 0.03 0.54 0.36 1.52 0.70 0.00 0.00 175.22 178.36 1u3j s TYR 283 N -0.46 -0.13 -0.09 0.36 1.13 0.30 -1.16 117.35 117.30 1u3j s TYR 283 Ca 0.14 -0.20 -0.04 0.00 -1.41 0.00 0.00 57.07 55.56 1u3j s TYR 283 Cb -0.12 0.19 0.05 0.00 -1.10 0.00 0.00 41.96 40.98 1u3j s TYR 283 CO 0.03 -0.67 0.18 -2.00 -2.51 0.00 0.00 175.55 170.59 1u3j s GLU 284 N -3.78 0.07 -0.42 -3.49 2.12 -0.46 -0.91 118.70 111.82 1u3j s GLU 284 Ca 0.03 0.57 -0.28 0.00 0.36 0.00 0.00 54.97 55.65 1u3j s GLU 284 Cb 0.02 -0.20 -0.02 0.00 0.26 0.00 0.00 34.13 34.20 1u3j s GLU 284 CO -0.12 -0.27 1.77 -1.21 -0.54 0.00 0.00 175.26 174.89 1u3j s GLU 285 N 2.09 3.16 -0.15 4.30 2.02 -1.26 -0.64 118.70 128.22 1u3j s GLU 285 Ca 0.00 1.13 -0.00 0.00 0.02 0.00 0.00 54.97 56.12 1u3j s GLU 285 Cb -0.12 -4.23 0.03 0.00 0.10 0.00 0.00 34.13 29.91 1u3j s GLU 285 CO -0.06 -2.08 -0.09 0.08 0.02 0.00 0.00 175.26 173.12 1u3j s VAL 291 N 7.35 1.29 0.27 2.63 1.01 -1.26 -5.21 120.40 126.47 1u3j s VAL 291 Ca 0.74 -0.55 -0.24 0.00 0.00 0.00 0.00 61.98 61.93 1u3j s VAL 291 Cb -0.18 -1.31 -0.09 0.00 0.00 0.00 0.00 36.38 34.80 1u3j s VAL 291 CO 0.30 0.32 0.85 0.86 0.00 0.00 0.00 175.10 177.43 1u3j s TRP 292 N 1.59 3.71 0.02 5.22 -0.00 0.19 -5.08 118.94 124.59 1u3j s TRP 292 Ca 0.03 1.63 -0.05 0.00 -0.00 0.00 0.00 56.10 57.71 1u3j s TRP 292 Cb -0.14 -2.80 -0.01 0.00 -0.00 0.00 0.00 33.47 30.53 1u3j s TRP 292 CO -0.09 0.30 0.08 -1.83 -0.00 0.00 0.00 176.95 175.41 1u3j s GLU 293 N -1.89 0.49 0.06 5.86 -1.05 -1.26 -1.36 118.70 119.54 1u3j s GLU 293 Ca 0.46 -0.58 -0.08 0.00 -0.15 0.00 0.00 54.97 54.62 1u3j s GLU 293 Cb -0.19 0.19 -0.01 0.00 -0.44 0.00 0.00 34.13 33.69 1u3j s GLU 293 CO 0.23 -0.11 0.15 0.20 0.95 0.00 0.00 175.26 176.68 1u3j s GLY 294 N -1.69 0.12 0.02 -3.83 0.00 -0.31 -5.00 107.32 96.63 1u3j s GLY 294 Ca -0.11 -0.55 0.08 0.00 0.00 0.00 0.00 44.72 44.14 1u3j s GLY 294 CO -0.01 -0.71 -0.24 -1.36 0.00 0.00 0.00 173.10 170.78 1u3j s PHE 295 N -3.19 2.08 0.37 1.90 0.40 -1.26 -0.55 117.98 117.72 1u3j s PHE 295 Ca -0.00 -0.39 -0.28 0.00 -0.60 0.00 0.00 56.93 55.66 1u3j s PHE 295 Cb 0.02 -1.28 -0.11 0.00 0.51 0.00 0.00 43.02 42.16 1u3j s PHE 295 CO -0.07 0.06 1.42 0.41 0.70 0.00 0.00 175.22 177.73 1u3j n GLY 296 N 2.07 0.98 3.49 4.36 0.00 0.01 -4.14 105.19 111.96 1u3j n GLY 296 Ca -0.16 0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1u3j n GLY 296 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u3j s ASP 297 N -0.20 6.15 0.08 1.61 2.15 0.32 -4.71 116.67 122.09 1u3j s ASP 297 Ca 0.54 -0.69 -0.26 0.00 0.43 0.00 0.00 52.55 52.58 1u3j s ASP 297 Cb -0.51 -2.19 0.08 0.00 -0.30 0.00 0.00 42.92 40.00 1u3j s ASP 297 CO 0.63 -0.48 0.73 0.72 -0.17 0.00 0.00 175.17 176.60 1u3j s PHE 298 N 1.93 -0.46 0.43 -5.34 -0.71 -1.26 -1.45 117.98 111.12 1u3j s PHE 298 Ca 0.09 0.30 0.07 0.00 -1.04 0.00 0.00 56.93 56.34 1u3j s PHE 298 Cb -0.18 0.55 -0.04 0.00 -1.21 0.00 0.00 43.02 42.14 1u3j s PHE 298 CO 0.12 -0.71 0.22 -1.54 -1.34 0.00 0.00 175.22 171.96 1u3j s SER 299 N -2.59 4.49 0.47 1.98 1.04 -1.26 -5.02 113.70 112.81 1u3j s SER 299 Ca 0.02 -1.10 0.23 0.00 0.48 0.00 0.00 55.95 55.58 1u3j s SER 299 Cb -0.01 -0.33 1.24 0.00 0.10 0.00 0.00 66.02 67.02 1u3j s SER 299 CO -0.11 -0.64 1.88 -0.65 0.98 0.00 0.00 173.24 174.71 1u3j h PRO 300 N 1.30 0.23 0.00 4.02 0.11 -1.97 0.16 132.00 135.85 1u3j h PRO 300 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1u3j h PRO 300 Cb 1.26 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1u3j h PRO 300 CO 0.67 0.16 0.00 1.79 -0.21 0.00 0.00 178.00 180.41 1u3j h THR 301 N 0.24 0.00 -0.01 -1.15 1.35 -1.96 -2.57 112.91 108.82 1u3j h THR 301 Ca 0.43 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 66.02 1u3j h THR 301 Cb 1.30 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 1u3j h THR 301 CO -0.11 0.00 -0.04 0.47 -0.25 0.00 0.00 175.52 175.60 1u3j n ASP 302 N -2.98 0.60 -4.67 5.36 8.00 0.55 -4.73 116.55 118.69 1u3j n ASP 302 Ca -0.01 -1.00 -0.39 0.00 0.71 0.00 0.00 54.79 54.11 1u3j n ASP 302 Cb 0.20 -0.03 -0.07 0.00 -0.02 0.00 0.00 41.12 41.21 1u3j n ASP 302 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1u3j s VAL 303 N -2.17 5.12 -0.46 2.53 1.01 -0.97 -1.30 120.40 124.15 1u3j s VAL 303 Ca 0.38 0.95 -0.14 0.00 0.00 0.00 0.00 61.98 63.17 1u3j s VAL 303 Cb 0.21 -3.84 0.07 0.00 0.00 0.00 0.00 36.38 32.83 1u3j s VAL 303 CO 0.40 0.19 0.37 -2.28 0.00 0.00 0.00 175.10 173.78 1u3j s HIS 304 N 1.52 3.26 -1.34 5.22 2.46 0.11 -4.54 115.29 121.98 1u3j s HIS 304 Ca 0.24 -1.03 -0.12 0.00 0.47 0.00 0.00 55.06 54.63 1u3j s HIS 304 Cb -0.15 -3.14 0.10 0.00 -0.13 0.00 0.00 32.58 29.25 1u3j s HIS 304 CO 0.10 -0.81 0.54 0.54 -2.47 0.00 0.00 174.74 172.64 1u3j n ARG 305 N 5.16 -3.23 -0.93 2.88 5.12 -1.26 -1.39 116.66 123.01 1u3j n ARG 305 Ca -0.12 0.41 0.00 0.00 -1.93 0.00 0.00 57.85 56.21 1u3j n ARG 305 Cb 0.43 -5.11 0.00 0.00 -1.16 0.00 0.00 32.46 26.62 1u3j n ARG 305 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1u3j n GLN 306 N -3.83 -0.84 0.00 5.56 6.02 -1.26 -4.80 117.38 118.23 1u3j n GLN 306 Ca 0.01 0.21 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 1u3j n GLN 306 Cb 0.52 -4.00 0.00 0.00 1.02 0.00 0.00 30.24 27.78 1u3j n GLN 306 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1u3j n PHE 307 N -2.33 0.00 -3.52 1.08 3.72 -0.48 -1.01 117.46 114.93 1u3j n PHE 307 Ca 0.00 -0.07 -0.13 0.00 -0.05 0.00 0.00 57.45 57.20 1u3j n PHE 307 Cb 0.21 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 38.70 1u3j n PHE 307 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1u3j s ALA 308 N -0.15 -1.42 -0.03 4.37 0.00 -1.09 -1.68 121.76 121.76 1u3j s ALA 308 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.49 1u3j s ALA 308 Cb 0.00 0.59 0.03 0.00 0.00 0.00 0.00 23.12 23.74 1u3j s ALA 308 CO 0.00 -0.62 -0.00 0.42 0.00 0.00 0.00 175.76 175.56 1u3j s ILE 309 N -3.04 0.21 -0.19 0.00 1.01 0.28 0.10 121.20 119.56 1u3j s ILE 309 Ca -0.02 0.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.64 1u3j s ILE 309 Cb -0.00 -0.31 -0.04 0.00 0.01 0.00 0.00 42.46 42.12 1u3j s ILE 309 CO -0.07 0.16 0.05 -0.69 0.00 0.00 0.00 174.94 174.40 1u3j s VAL 310 N 1.10 4.56 0.20 2.92 1.01 -0.42 -1.40 120.40 128.38 1u3j s VAL 310 Ca -0.09 -0.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.66 1u3j s VAL 310 Cb -0.13 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1u3j s VAL 310 CO -0.02 0.43 0.41 0.72 0.00 0.00 0.00 175.10 176.65 1u3j s PHE 311 N 0.66 0.29 -0.08 5.22 -0.71 -0.67 -4.79 117.98 117.91 1u3j s PHE 311 Ca 0.03 -0.65 -0.01 0.00 -1.04 0.00 0.00 56.93 55.26 1u3j s PHE 311 Cb -0.13 0.12 -0.03 0.00 -1.21 0.00 0.00 43.02 41.77 1u3j s PHE 311 CO 0.02 -0.87 -0.03 0.15 -1.34 0.00 0.00 175.22 173.15 1u3j s LYS 312 N -3.97 2.92 0.51 1.99 1.02 -0.53 0.04 119.74 121.71 1u3j s LYS 312 Ca 0.18 -0.48 -0.23 0.00 0.02 0.00 0.00 55.97 55.47 1u3j s LYS 312 Cb 0.01 -2.71 -0.06 0.00 -0.52 0.00 0.00 37.83 34.55 1u3j s LYS 312 CO 0.03 0.66 1.31 0.95 -0.92 0.00 0.00 175.35 177.38 1u3j s THR 313 N -0.77 2.38 0.59 2.17 -4.23 -0.30 -0.52 115.64 114.97 1u3j s THR 313 Ca 0.12 0.30 -0.14 0.00 -1.18 0.00 0.00 61.69 60.78 1u3j s THR 313 Cb -0.11 -3.15 -0.04 0.00 1.34 0.00 0.00 72.50 70.53 1u3j s THR 313 CO 0.02 0.00 1.03 -2.16 -0.54 0.00 0.00 174.62 172.98 1u3j s PRO 314 N -2.77 3.46 0.34 3.99 0.04 -1.26 -0.49 135.00 138.31 1u3j s PRO 314 Ca 0.68 1.03 -0.29 0.00 0.04 0.00 0.00 61.00 62.46 1u3j s PRO 314 Cb -0.37 -2.06 -0.10 0.00 0.04 0.00 0.00 34.50 32.00 1u3j s PRO 314 CO 0.45 -0.68 1.37 0.21 0.04 0.00 0.00 177.00 178.39 1u3j s LYS 315 N -4.40 4.28 0.76 4.56 2.20 -1.26 -4.11 119.74 121.77 1u3j s LYS 315 Ca 0.60 2.32 -0.12 0.00 -0.36 0.00 0.00 55.97 58.42 1u3j s LYS 315 Cb -0.13 -3.05 0.05 0.00 -1.51 0.00 0.00 37.83 33.19 1u3j s LYS 315 CO 0.41 -0.30 1.11 -0.47 -0.36 0.00 0.00 175.35 175.73 1u3j s TYR 316 N -1.02 3.05 0.34 4.03 5.04 -0.45 -4.91 117.35 123.42 1u3j s TYR 316 Ca 0.51 1.05 0.32 0.00 -2.44 0.00 0.00 57.07 56.51 1u3j s TYR 316 Cb -0.42 -3.15 1.56 0.00 0.35 0.00 0.00 41.96 40.30 1u3j s TYR 316 CO 0.55 -1.54 2.08 1.57 -1.34 0.00 0.00 175.55 176.87 1u3j h LYS 317 N -0.91 0.00 -3.07 4.97 2.10 -1.95 -3.39 116.57 114.31 1u3j h LYS 317 Ca -0.46 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 57.64 1u3j h LYS 317 Cb 1.27 0.00 -0.40 0.00 -0.90 0.00 0.00 32.23 32.20 1u3j h LYS 317 CO 0.62 0.07 -0.77 0.34 -2.00 0.00 0.00 179.45 177.71 1u3j s ASP 318 N -5.83 3.67 0.00 7.07 -1.08 -1.26 -5.00 116.67 114.24 1u3j s ASP 318 Ca -0.02 -1.39 0.25 0.00 -0.52 0.00 0.00 52.55 50.88 1u3j s ASP 318 Cb 0.12 -0.53 1.48 0.00 -1.46 0.00 0.00 42.92 42.53 1u3j s ASP 318 CO 0.54 -0.43 1.88 1.33 0.52 0.00 0.00 175.17 179.01 1u3j n VAL 319 N 5.11 0.04 -0.67 1.11 0.24 -1.26 -3.16 118.33 119.74 1u3j n VAL 319 Ca -0.05 0.01 0.08 0.00 -2.04 0.00 0.00 64.34 62.35 1u3j n VAL 319 Cb 0.42 -0.61 0.31 0.00 -1.47 0.00 0.00 33.84 32.49 1u3j n VAL 319 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1u3j n ASN 320 N -1.05 4.37 -4.74 -1.34 3.02 -1.26 -4.58 115.26 109.67 1u3j n ASN 320 Ca 0.18 -2.56 -0.39 0.00 -0.03 0.00 0.00 54.58 51.78 1u3j n ASN 320 Cb 0.11 -0.52 0.03 0.00 -0.61 0.00 0.00 39.78 38.78 1u3j n ASN 320 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1u3j n ILE 321 N 0.58 3.30 0.18 2.41 -5.35 -1.19 -4.90 119.36 114.40 1u3j n ILE 321 Ca 0.23 -0.50 0.10 0.00 -0.27 0.00 0.00 62.75 62.31 1u3j n ILE 321 Cb 0.85 -1.69 -0.15 0.00 -1.74 0.00 0.00 39.64 36.91 1u3j n ILE 321 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1u3j n THR 322 N -0.67 0.00 -4.13 7.28 -2.24 -1.26 -4.53 114.28 108.73 1u3j n THR 322 Ca 0.08 -0.39 -0.09 0.00 -2.27 0.00 0.00 64.05 61.39 1u3j n THR 322 Cb 0.43 0.22 -0.10 0.00 -2.10 0.00 0.00 70.33 68.78 1u3j n THR 322 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1u3j s LYS 323 N -3.35 0.78 0.49 -0.78 -2.85 -1.26 -4.85 119.74 107.92 1u3j s LYS 323 Ca -0.05 -1.33 -0.24 0.00 -1.00 0.00 0.00 55.97 53.35 1u3j s LYS 323 Cb 0.14 0.16 -0.07 0.00 -2.06 0.00 0.00 37.83 36.00 1u3j s LYS 323 CO 0.86 -0.16 1.41 -2.30 0.10 0.00 0.00 175.35 175.26 1u3j n PRO 324 N -0.00 2.03 -3.95 1.78 -0.02 -1.26 -4.65 135.00 128.93 1u3j n PRO 324 Ca -0.10 0.73 -0.35 0.00 -2.02 0.00 0.00 63.50 61.77 1u3j n PRO 324 Cb 0.62 -2.61 -0.14 0.00 -0.02 0.00 0.00 33.50 31.35 1u3j n PRO 324 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u3j s ALA 325 N -1.23 2.71 -0.22 3.55 0.00 0.24 -4.96 121.76 121.85 1u3j s ALA 325 Ca 0.65 -1.38 -0.27 0.00 0.00 0.00 0.00 51.96 50.97 1u3j s ALA 325 Cb -0.44 -1.67 -0.00 0.00 0.00 0.00 0.00 23.12 21.02 1u3j s ALA 325 CO 0.54 -0.70 0.92 0.45 0.00 0.00 0.00 175.76 176.97 1u3j s SER 326 N 1.36 6.98 0.46 0.00 0.15 -1.26 -1.10 113.70 120.29 1u3j s SER 326 Ca 0.02 1.22 0.02 0.00 0.70 0.00 0.00 55.95 57.92 1u3j s SER 326 Cb -0.16 -2.49 -0.02 0.00 -1.71 0.00 0.00 66.02 61.65 1u3j s SER 326 CO -0.05 -0.55 0.06 0.68 1.20 0.00 0.00 173.24 174.58 1u3j s VAL 327 N 2.79 0.95 0.20 4.45 -7.23 0.10 -4.94 120.40 116.73 1u3j s VAL 327 Ca 0.40 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.66 1u3j s VAL 327 Cb -0.16 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 1u3j s VAL 327 CO 0.08 0.00 -0.09 -0.36 -0.31 0.00 0.00 175.10 174.42 1u3j s PHE 328 N -3.01 2.61 -0.05 2.82 0.08 -0.09 -1.15 117.98 119.19 1u3j s PHE 328 Ca 0.14 -0.23 0.03 0.00 0.12 0.00 0.00 56.93 57.00 1u3j s PHE 328 Cb 0.02 -1.25 0.00 0.00 -0.57 0.00 0.00 43.02 41.23 1u3j s PHE 328 CO 0.08 0.54 -0.15 0.08 -0.10 0.00 0.00 175.22 175.68 1u3j s VAL 329 N -1.84 1.29 0.04 -0.44 1.01 0.15 -0.54 120.40 120.08 1u3j s VAL 329 Ca 0.26 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1u3j s VAL 329 Cb -0.08 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 1u3j s VAL 329 CO 0.16 0.38 -0.06 0.00 0.00 0.00 0.00 175.10 175.58 1u3j s GLN 330 N 0.33 0.50 0.42 2.72 -2.07 0.19 -0.60 119.66 121.14 1u3j s GLN 330 Ca -0.09 -0.80 -0.24 0.00 -1.82 0.00 0.00 55.36 52.41 1u3j s GLN 330 Cb -0.13 -0.13 -0.08 0.00 -1.09 0.00 0.00 33.01 31.57 1u3j s GLN 330 CO 0.03 0.00 1.11 -0.51 -1.32 0.00 0.00 175.29 174.60 1u3j s LEU 331 N -1.78 4.10 -0.06 2.60 1.43 -1.26 -0.52 118.68 123.19 1u3j s LEU 331 Ca -0.09 2.18 -0.03 0.00 -1.03 0.00 0.00 54.13 55.16 1u3j s LEU 331 Cb -0.07 -4.18 0.03 0.00 0.03 0.00 0.00 46.19 42.00 1u3j s LEU 331 CO -0.01 -0.67 0.14 -0.60 0.23 0.00 0.00 176.35 175.44 1u3j s ARG 332 N -2.54 0.11 0.02 1.70 3.52 -0.74 -1.10 118.95 119.92 1u3j s ARG 332 Ca 0.60 0.32 -0.30 0.00 -0.13 0.00 0.00 55.73 56.22 1u3j s ARG 332 Cb -0.26 -0.11 -0.04 0.00 -1.56 0.00 0.00 34.95 32.98 1u3j s ARG 332 CO 0.32 -0.13 1.00 0.50 -0.81 0.00 0.00 175.30 176.18 1u3j s ARG 333 N 0.88 4.56 0.30 5.12 3.52 0.21 -1.06 118.95 132.49 1u3j s ARG 333 Ca -0.07 1.47 0.04 0.00 -0.13 0.00 0.00 55.73 57.04 1u3j s ARG 333 Cb -0.09 -3.43 0.49 0.00 -1.56 0.00 0.00 34.95 30.36 1u3j s ARG 333 CO -0.04 -0.04 1.77 0.87 -0.81 0.00 0.00 175.30 177.05 1u3j h LYS 334 N 6.62 0.44 -0.02 5.12 1.57 -1.88 0.21 116.57 128.63 1u3j h LYS 334 Ca -0.41 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.21 1u3j h LYS 334 Cb 1.22 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.49 1u3j h LYS 334 CO 0.75 0.63 -0.03 0.66 -0.57 0.00 0.00 179.45 180.89 1u3j h SER 335 N 0.40 0.06 0.00 0.86 4.64 -1.92 -3.36 113.55 114.23 1u3j h SER 335 Ca 0.07 -0.55 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1u3j h SER 335 Cb 0.59 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1u3j h SER 335 CO 0.04 0.60 -0.01 -0.90 -0.87 0.00 0.00 176.83 175.69 1u3j n ASP 336 N -4.78 1.83 -1.80 4.97 5.68 -1.25 -5.01 116.55 116.18 1u3j n ASP 336 Ca -0.08 -2.05 -0.19 0.00 -0.50 0.00 0.00 54.79 51.97 1u3j n ASP 336 Cb 0.30 -0.06 -0.06 0.00 -1.14 0.00 0.00 41.12 40.16 1u3j n ASP 336 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1u3j n LEU 337 N -0.57 -1.48 -4.76 -2.12 4.77 0.06 -4.97 117.00 107.93 1u3j n LEU 337 Ca 0.02 0.34 -0.38 0.00 -0.03 0.00 0.00 56.01 55.95 1u3j n LEU 337 Cb 0.33 -2.66 0.01 0.00 -2.33 0.00 0.00 43.42 38.77 1u3j n LEU 337 CO 0.00 -0.75 0.93 -1.61 -1.33 0.00 0.00 177.39 174.64 1u3j s GLU 338 N -4.02 3.62 0.16 3.23 0.41 -1.25 -4.70 118.70 116.14 1u3j s GLU 338 Ca 0.00 2.07 0.08 0.00 -0.41 0.00 0.00 54.97 56.71 1u3j s GLU 338 Cb 0.00 -2.48 -0.04 0.00 -1.78 0.00 0.00 34.13 29.83 1u3j s GLU 338 CO 0.00 -0.76 -0.17 0.95 -0.49 0.00 0.00 175.26 174.80 1u3j s THR 339 N -1.36 1.67 0.77 3.63 -4.23 -1.26 -0.62 115.64 114.24 1u3j s THR 339 Ca 0.64 -1.90 -0.12 0.00 -1.18 0.00 0.00 61.69 59.13 1u3j s THR 339 Cb -0.36 -1.79 0.06 0.00 1.34 0.00 0.00 72.50 71.75 1u3j s THR 339 CO 0.44 -0.38 1.11 -0.55 -0.54 0.00 0.00 174.62 174.70 1u3j s SER 340 N -2.70 4.75 0.36 3.99 0.15 -0.26 -4.63 113.70 115.36 1u3j s SER 340 Ca 0.15 1.17 -0.28 0.00 0.70 0.00 0.00 55.95 57.69 1u3j s SER 340 Cb -0.05 -1.90 -0.12 0.00 -1.71 0.00 0.00 66.02 62.25 1u3j s SER 340 CO 0.06 -1.79 1.39 -0.62 1.20 0.00 0.00 173.24 173.48 1u3j n GLU 341 N -3.30 2.40 -2.14 5.44 -0.58 -1.26 -4.69 120.64 116.50 1u3j n GLU 341 Ca 0.07 0.84 -0.32 0.00 -0.42 0.00 0.00 57.16 57.33 1u3j n GLU 341 Cb 0.57 -2.49 -0.01 0.00 -0.57 0.00 0.00 31.44 28.94 1u3j n GLU 341 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1u3j s PRO 342 N -1.97 3.62 -0.05 3.49 0.04 -1.26 -4.73 135.00 134.14 1u3j s PRO 342 Ca 0.54 1.00 0.06 0.00 0.04 0.00 0.00 61.00 62.64 1u3j s PRO 342 Cb -0.52 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 31.91 1u3j s PRO 342 CO 0.63 -0.55 -0.22 0.15 0.04 0.00 0.00 177.00 177.05 1u3j s LYS 343 N -4.32 2.43 0.55 4.56 -0.14 0.23 -4.93 119.74 118.12 1u3j s LYS 343 Ca 0.60 -0.84 -0.19 0.00 -1.36 0.00 0.00 55.97 54.17 1u3j s LYS 343 Cb -0.12 -2.20 -0.05 0.00 -1.68 0.00 0.00 37.83 33.77 1u3j s LYS 343 CO 0.38 0.50 1.12 -1.25 -0.76 0.00 0.00 175.35 175.34 1u3j s PRO 344 N -0.45 3.32 -0.13 -1.68 0.04 -1.26 -0.67 135.00 134.16 1u3j s PRO 344 Ca 0.05 1.56 -0.10 0.00 0.04 0.00 0.00 61.00 62.55 1u3j s PRO 344 Cb -0.12 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 32.46 1u3j s PRO 344 CO 0.01 -0.87 0.34 0.12 0.04 0.00 0.00 177.00 176.65 1u3j s PHE 345 N -1.87 -0.43 -0.23 0.56 5.36 -0.30 -4.84 117.98 116.23 1u3j s PHE 345 Ca 0.71 0.99 -0.05 0.00 -0.96 0.00 0.00 56.93 57.62 1u3j s PHE 345 Cb -0.23 0.15 -0.02 0.00 -0.34 0.00 0.00 43.02 42.59 1u3j s PHE 345 CO 0.28 -0.24 -0.00 -1.17 -1.46 0.00 0.00 175.22 172.63 1u3j s LEU 346 N 0.75 3.09 0.03 6.12 2.96 -0.66 0.01 118.68 130.99 1u3j s LEU 346 Ca -0.05 -0.32 -0.22 0.00 -0.22 0.00 0.00 54.13 53.33 1u3j s LEU 346 Cb -0.06 -1.80 -0.06 0.00 0.50 0.00 0.00 46.19 44.77 1u3j s LEU 346 CO -0.05 -0.01 0.66 -0.31 -1.32 0.00 0.00 176.35 175.31 1u3j s TYR 347 N 1.47 3.72 0.13 5.38 2.02 -0.26 -1.43 117.35 128.37 1u3j s TYR 347 Ca 0.05 1.32 0.09 0.00 -0.37 0.00 0.00 57.07 58.16 1u3j s TYR 347 Cb -0.15 -2.68 -0.04 0.00 -0.40 0.00 0.00 41.96 38.70 1u3j s TYR 347 CO -0.01 0.35 -0.15 1.52 -1.57 0.00 0.00 175.55 175.70 1u3j s TYR 348 N -0.27 2.59 0.59 2.71 -0.85 -0.50 -0.59 117.35 121.02 1u3j s TYR 348 Ca 0.34 -0.24 -0.20 0.00 -0.52 0.00 0.00 57.07 56.45 1u3j s TYR 348 Cb -0.19 -1.35 -0.04 0.00 0.38 0.00 0.00 41.96 40.76 1u3j s TYR 348 CO 0.20 0.42 1.28 -2.30 -1.52 0.00 0.00 175.55 173.62 1u3j n PRO 349 N 0.64 1.37 0.00 -3.49 -0.02 -1.26 -2.05 135.00 130.19 1u3j n PRO 349 Ca -0.14 0.52 0.07 0.00 -2.02 0.00 0.00 63.50 61.93 1u3j n PRO 349 Cb 0.53 -2.50 0.44 0.00 -0.02 0.00 0.00 33.50 31.95 1u3j n PRO 349 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57