#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u3y s LEU 248 N 0.00 4.47 -0.20 1.20 1.43 -1.26 -4.93 118.68 119.39 1u3y s LEU 248 Ca 0.00 1.76 -0.10 0.00 -1.03 0.00 0.00 54.13 54.76 1u3y s LEU 248 Cb 0.00 -3.70 0.07 0.00 0.03 0.00 0.00 46.19 42.59 1u3y s LEU 248 CO 0.00 0.06 0.48 -0.75 0.23 0.00 0.00 176.35 176.37 1u3y s LYS 249 N -1.63 0.46 -0.41 1.70 2.20 -1.26 -4.26 119.74 116.53 1u3y s LYS 249 Ca 0.44 0.92 -0.23 0.00 -0.36 0.00 0.00 55.97 56.73 1u3y s LYS 249 Cb -0.21 0.06 0.02 0.00 -1.51 0.00 0.00 37.83 36.19 1u3y s LYS 249 CO 0.26 -0.17 0.79 0.42 -0.36 0.00 0.00 175.35 176.29 1u3y s ILE 250 N 1.59 4.68 -0.04 5.43 1.01 -1.26 -1.90 121.20 130.71 1u3y s ILE 250 Ca -0.09 0.63 -0.09 0.00 0.00 0.00 0.00 60.65 61.10 1u3y s ILE 250 Cb -0.08 -4.27 -0.30 0.00 0.01 0.00 0.00 42.46 37.82 1u3y s ILE 250 CO -0.14 -0.60 0.69 0.58 0.00 0.00 0.00 174.94 175.46 1u3y h VAL 251 N 5.89 0.95 -2.05 2.92 2.07 -0.95 -3.49 116.25 121.60 1u3y h VAL 251 Ca -0.25 -2.56 -0.06 0.00 0.82 0.00 0.00 66.70 64.66 1u3y h VAL 251 Cb 1.09 2.74 -0.19 0.00 -1.52 0.00 0.00 31.29 33.41 1u3y h VAL 251 CO 0.94 0.85 0.20 -0.60 0.02 0.00 0.00 177.57 178.97 1u3y s ARG 252 N -2.58 1.07 -0.00 1.57 3.52 -1.03 -4.98 118.95 116.52 1u3y s ARG 252 Ca -0.15 0.22 0.04 0.00 -0.13 0.00 0.00 55.73 55.71 1u3y s ARG 252 Cb 0.06 0.50 -0.01 0.00 -1.56 0.00 0.00 34.95 33.94 1u3y s ARG 252 CO 0.85 -0.34 -0.12 -1.64 -0.81 0.00 0.00 175.30 173.24 1u3y s MET 253 N -1.33 0.95 0.25 5.12 -1.94 -1.26 -0.42 119.30 120.66 1u3y s MET 253 Ca -0.10 -0.48 0.26 0.00 -1.71 0.00 0.00 55.69 53.65 1u3y s MET 253 Cb -0.00 -0.92 0.84 0.00 2.01 0.00 0.00 34.83 36.76 1u3y s MET 253 CO 0.09 0.25 1.76 0.38 -0.01 0.00 0.00 175.02 177.48 1u3y h ASP 254 N 5.68 0.00 -3.71 3.03 2.03 -1.72 -3.43 116.42 118.30 1u3y h ASP 254 Ca -0.34 0.00 -0.32 0.00 -0.73 0.00 0.00 57.03 55.64 1u3y h ASP 254 Cb 1.17 0.00 -0.31 0.00 -0.83 0.00 0.00 39.33 39.37 1u3y h ASP 254 CO 0.48 0.00 -0.75 -0.13 -1.03 0.00 0.00 179.24 177.81 1u3y s ARG 255 N -3.18 0.36 -0.13 4.15 1.81 -1.26 -5.02 118.95 115.67 1u3y s ARG 255 Ca 0.09 -0.07 0.19 0.00 -1.72 0.00 0.00 55.73 54.21 1u3y s ARG 255 Cb 0.11 -0.41 0.31 0.00 -0.45 0.00 0.00 34.95 34.51 1u3y s ARG 255 CO 0.55 0.00 1.17 0.25 -0.68 0.00 0.00 175.30 176.59 1u3y n THR 256 N 3.43 1.92 -3.88 0.02 -2.24 -1.26 -5.01 114.28 107.26 1u3y n THR 256 Ca -0.18 -2.27 -0.09 0.00 -2.27 0.00 0.00 64.05 59.24 1u3y n THR 256 Cb 0.55 -0.24 -0.07 0.00 -2.10 0.00 0.00 70.33 68.47 1u3y n THR 256 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u3y s ALA 257 N -2.89 -0.17 0.07 6.98 0.00 -1.26 -1.36 121.76 123.14 1u3y s ALA 257 Ca 0.33 -0.67 -0.27 0.00 0.00 0.00 0.00 51.96 51.35 1u3y s ALA 257 Cb 0.29 0.49 0.08 0.00 0.00 0.00 0.00 23.12 23.98 1u3y s ALA 257 CO 0.03 -0.51 0.90 0.20 0.00 0.00 0.00 175.76 176.38 1u3y s GLY 258 N -2.87 -0.37 0.37 0.00 0.00 -0.38 -4.94 107.32 99.13 1u3y s GLY 258 Ca 0.06 0.61 -0.25 0.00 0.00 0.00 0.00 44.72 45.13 1u3y s GLY 258 CO -0.10 0.18 1.04 0.00 0.00 0.00 0.00 173.10 174.22 1u3y h VAL 260 N 2.38 0.14 0.00 0.00 -1.51 -1.61 -1.85 116.25 113.80 1u3y h VAL 260 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1u3y h VAL 260 Cb 1.21 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 1u3y h VAL 260 CO 0.63 0.00 0.00 0.71 -1.23 0.00 0.00 177.57 177.68 1u3y h THR 261 N 0.00 0.00 -0.49 7.19 1.35 -1.90 -0.34 112.91 118.73 1u3y h THR 261 Ca 0.03 -0.38 0.02 0.00 -0.55 0.00 0.00 66.41 65.53 1u3y h THR 261 Cb 0.43 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 68.11 1u3y h THR 261 CO -0.00 0.00 -0.03 0.61 -0.25 0.00 0.00 175.52 175.85 1u3y n GLY 262 N 0.62 -1.94 2.02 5.82 0.00 -0.70 -4.34 105.19 106.68 1u3y n GLY 262 Ca 0.04 -1.37 -0.00 0.00 0.00 0.00 0.00 46.02 44.69 1u3y n GLY 262 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u3y n GLY 263 N -0.40 0.46 3.80 -0.02 0.00 0.85 -4.90 105.19 104.98 1u3y n GLY 263 Ca 0.00 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 1u3y n GLY 263 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u3y s GLU 264 N -0.87 3.96 0.09 1.61 2.02 -1.26 -4.73 118.70 119.52 1u3y s GLU 264 Ca 0.00 0.15 -0.30 0.00 0.02 0.00 0.00 54.97 54.84 1u3y s GLU 264 Cb 0.00 -3.31 -0.06 0.00 0.10 0.00 0.00 34.13 30.87 1u3y s GLU 264 CO 0.00 0.51 1.09 -1.21 0.02 0.00 0.00 175.26 175.67 1u3y s GLU 265 N -0.38 4.55 0.01 1.61 0.41 -1.26 -1.47 118.70 122.18 1u3y s GLU 265 Ca 0.19 1.63 0.05 0.00 -0.41 0.00 0.00 54.97 56.43 1u3y s GLU 265 Cb -0.14 -3.35 -0.02 0.00 -1.78 0.00 0.00 34.13 28.84 1u3y s GLU 265 CO 0.07 -0.05 -0.15 0.42 -0.49 0.00 0.00 175.26 175.06 1u3y s ILE 266 N 0.51 1.20 -0.24 -1.63 1.01 0.26 -4.96 121.20 117.36 1u3y s ILE 266 Ca 0.53 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 60.28 1u3y s ILE 266 Cb -0.27 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 1u3y s ILE 266 CO 0.31 0.20 0.07 -0.63 0.00 0.00 0.00 174.94 174.89 1u3y s ILE 267 N -0.57 4.41 -0.13 2.92 1.01 -1.26 -1.58 121.20 126.00 1u3y s ILE 267 Ca 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 60.65 60.53 1u3y s ILE 267 Cb -0.07 -3.05 -0.02 0.00 0.01 0.00 0.00 42.46 39.32 1u3y s ILE 267 CO 0.00 0.35 -0.07 -0.22 0.00 0.00 0.00 174.94 175.01 1u3y s LEU 268 N 1.45 3.09 -0.17 2.97 0.20 -0.31 -1.68 118.68 124.24 1u3y s LEU 268 Ca 0.06 -0.17 -0.08 0.00 0.69 0.00 0.00 54.13 54.63 1u3y s LEU 268 Cb -0.15 -1.72 -0.04 0.00 -0.43 0.00 0.00 46.19 43.85 1u3y s LEU 268 CO 0.04 0.20 0.10 -0.76 -0.29 0.00 0.00 176.35 175.64 1u3y s LEU 269 N 0.17 4.09 0.12 -0.68 1.43 0.44 -0.75 118.68 123.51 1u3y s LEU 269 Ca -0.04 0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.30 1u3y s LEU 269 Cb -0.14 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 1u3y s LEU 269 CO 0.03 0.24 -0.02 0.00 0.23 0.00 0.00 176.35 176.83 1u3y s ASP 271 N -3.07 1.94 0.16 0.00 1.01 -0.80 -4.57 116.67 111.34 1u3y s ASP 271 Ca 0.17 0.62 -0.31 0.00 0.71 0.00 0.00 52.55 53.74 1u3y s ASP 271 Cb 0.06 -0.89 -0.11 0.00 1.01 0.00 0.00 42.92 43.00 1u3y s ASP 271 CO -0.01 -3.49 1.70 -0.75 0.21 0.00 0.00 175.17 172.83 1u3y s LYS 272 N -5.48 4.16 0.36 8.23 2.20 -1.26 -4.73 119.74 123.21 1u3y s LYS 272 Ca 0.70 2.51 0.08 0.00 -0.36 0.00 0.00 55.97 58.90 1u3y s LYS 272 Cb -0.09 -3.30 -0.07 0.00 -1.51 0.00 0.00 37.83 32.85 1u3y s LYS 272 CO 0.55 -0.74 -0.06 0.14 -0.36 0.00 0.00 175.35 174.88 1u3y s VAL 273 N 1.78 2.08 -0.22 4.02 -7.23 -0.33 -4.94 120.40 115.56 1u3y s VAL 273 Ca 0.75 -2.13 -0.13 0.00 -1.81 0.00 0.00 61.98 58.66 1u3y s VAL 273 Cb -0.46 -2.73 -0.05 0.00 0.56 0.00 0.00 36.38 33.71 1u3y s VAL 273 CO 0.33 -0.15 0.26 -1.10 -0.31 0.00 0.00 175.10 174.13 1u3y s GLN 274 N -3.66 4.12 0.58 4.82 -1.52 -1.26 -4.57 119.66 118.16 1u3y s GLN 274 Ca 0.33 -0.07 0.28 0.00 -1.95 0.00 0.00 55.36 53.95 1u3y s GLN 274 Cb 0.05 -3.54 1.72 0.00 -0.22 0.00 0.00 33.01 31.03 1u3y s GLN 274 CO 0.16 0.02 2.23 1.57 -0.25 0.00 0.00 175.29 179.03 1u3y h LYS 275 N 7.43 0.00 -0.07 2.91 2.10 -1.96 0.23 116.57 127.22 1u3y h LYS 275 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1u3y h LYS 275 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1u3y h LYS 275 CO 0.68 0.01 0.00 -0.25 -2.00 0.00 0.00 179.45 177.90 1u3y n ASP 276 N -3.92 2.25 -2.62 7.07 8.00 -1.26 -4.32 116.55 121.74 1u3y n ASP 276 Ca -0.03 -1.75 -0.11 0.00 0.71 0.00 0.00 54.79 53.61 1u3y n ASP 276 Cb 0.10 -0.03 0.03 0.00 -0.02 0.00 0.00 41.12 41.19 1u3y n ASP 276 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1u3y n ASP 277 N 0.74 2.32 -3.77 -2.24 2.03 0.07 -4.95 116.55 110.76 1u3y n ASP 277 Ca 0.17 -2.79 -0.13 0.00 0.52 0.00 0.00 54.79 52.56 1u3y n ASP 277 Cb 0.47 -0.49 -0.11 0.00 -0.72 0.00 0.00 41.12 40.26 1u3y n ASP 277 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1u3y s ILE 278 N -3.83 -0.01 0.18 5.18 1.10 -1.21 -3.38 121.20 119.23 1u3y s ILE 278 Ca 0.33 0.02 0.02 0.00 -0.51 0.00 0.00 60.65 60.51 1u3y s ILE 278 Cb 0.41 -0.41 -0.05 0.00 0.15 0.00 0.00 42.46 42.56 1u3y s ILE 278 CO -0.02 0.01 0.00 0.00 -2.11 0.00 0.00 174.94 172.82 1u3y s GLN 279 N 0.34 1.12 -0.23 3.50 -2.07 0.14 -4.86 119.66 117.60 1u3y s GLN 279 Ca -0.02 -1.54 0.02 0.00 -1.82 0.00 0.00 55.36 52.00 1u3y s GLN 279 Cb -0.03 -0.28 0.05 0.00 -1.09 0.00 0.00 33.01 31.65 1u3y s GLN 279 CO -0.01 -0.13 -0.12 0.42 -1.32 0.00 0.00 175.29 174.12 1u3y s ILE 280 N -3.65 2.00 -0.23 3.63 1.01 -1.26 -1.55 121.20 121.15 1u3y s ILE 280 Ca 0.24 -1.33 -0.07 0.00 0.00 0.00 0.00 60.65 59.49 1u3y s ILE 280 Cb 0.06 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 1u3y s ILE 280 CO 0.04 0.13 0.05 -0.60 0.00 0.00 0.00 174.94 174.56 1u3y s ARG 281 N 1.22 3.69 -0.15 2.79 3.52 -0.08 -0.55 118.95 129.38 1u3y s ARG 281 Ca -0.04 -0.47 -0.10 0.00 -0.13 0.00 0.00 55.73 54.99 1u3y s ARG 281 Cb -0.18 -3.26 -0.05 0.00 -1.56 0.00 0.00 34.95 29.91 1u3y s ARG 281 CO -0.07 -0.09 0.18 -0.06 -0.81 0.00 0.00 175.30 174.45 1u3y s PHE 282 N 1.34 3.51 0.16 5.12 0.40 0.34 -0.81 117.98 128.04 1u3y s PHE 282 Ca 0.05 0.49 -0.12 0.00 -0.60 0.00 0.00 56.93 56.76 1u3y s PHE 282 Cb -0.15 -2.12 0.00 0.00 0.51 0.00 0.00 43.02 41.27 1u3y s PHE 282 CO 0.03 0.47 0.35 1.52 0.70 0.00 0.00 175.22 178.29 1u3y s TYR 283 N -0.24 0.20 0.00 0.36 1.13 0.07 -0.87 117.35 117.99 1u3y s TYR 283 Ca 0.13 -0.56 0.00 0.00 -1.41 0.00 0.00 57.07 55.23 1u3y s TYR 283 Cb -0.12 0.08 0.00 0.00 -1.10 0.00 0.00 41.96 40.82 1u3y s TYR 283 CO 0.02 -0.75 0.00 -1.91 -2.51 0.00 0.00 175.55 170.40 1u3y n GLU 284 N -0.23 0.00 -4.06 -3.49 2.13 -1.26 -0.97 120.64 112.76 1u3y n GLU 284 Ca -0.09 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.39 1u3y n GLU 284 Cb 0.63 -0.27 -0.15 0.00 0.27 0.00 0.00 31.44 31.92 1u3y n GLU 284 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1u3y s VAL 291 N -1.33 2.42 0.26 6.31 1.01 -1.26 -4.85 120.40 122.95 1u3y s VAL 291 Ca 0.00 -0.94 -0.27 0.00 0.00 0.00 0.00 61.98 60.78 1u3y s VAL 291 Cb 0.00 -2.10 -0.09 0.00 0.00 0.00 0.00 36.38 34.19 1u3y s VAL 291 CO 0.00 0.42 0.89 0.86 0.00 0.00 0.00 175.10 177.27 1u3y s TRP 292 N 1.31 3.82 -0.00 5.22 -0.00 -1.26 -5.07 118.94 122.96 1u3y s TRP 292 Ca 0.03 1.76 -0.07 0.00 -0.00 0.00 0.00 56.10 57.82 1u3y s TRP 292 Cb -0.14 -2.88 0.00 0.00 -0.00 0.00 0.00 33.47 30.44 1u3y s TRP 292 CO -0.09 0.35 0.13 -1.83 -0.00 0.00 0.00 176.95 175.51 1u3y s GLU 293 N -1.62 0.45 0.07 5.86 -1.05 -1.26 -4.32 118.70 116.83 1u3y s GLU 293 Ca 0.44 -0.36 -0.05 0.00 -0.15 0.00 0.00 54.97 54.85 1u3y s GLU 293 Cb -0.21 0.19 -0.02 0.00 -0.44 0.00 0.00 34.13 33.64 1u3y s GLU 293 CO 0.27 -0.10 0.09 0.20 0.95 0.00 0.00 175.26 176.66 1u3y s GLY 294 N -1.26 0.25 -0.02 -3.83 0.00 -0.05 -5.00 107.32 97.40 1u3y s GLY 294 Ca -0.14 -0.83 0.06 0.00 0.00 0.00 0.00 44.72 43.81 1u3y s GLY 294 CO 0.01 -0.98 -0.21 -1.36 0.00 0.00 0.00 173.10 170.56 1u3y s PHE 295 N -3.67 1.90 0.27 1.90 0.40 -1.26 -0.50 117.98 117.02 1u3y s PHE 295 Ca 0.04 -0.40 -0.30 0.00 -0.60 0.00 0.00 56.93 55.67 1u3y s PHE 295 Cb 0.05 -1.23 -0.13 0.00 0.51 0.00 0.00 43.02 42.21 1u3y s PHE 295 CO -0.10 -0.06 1.31 0.41 0.70 0.00 0.00 175.22 177.48 1u3y n GLY 296 N 2.67 0.54 3.48 4.36 0.00 0.28 -4.07 105.19 112.45 1u3y n GLY 296 Ca -0.16 0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 1u3y n GLY 296 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u3y s ASP 297 N -0.01 6.21 0.18 1.61 2.15 0.17 -4.72 116.67 122.25 1u3y s ASP 297 Ca 0.63 -0.71 -0.23 0.00 0.43 0.00 0.00 52.55 52.67 1u3y s ASP 297 Cb -0.64 -2.24 0.06 0.00 -0.30 0.00 0.00 42.92 39.79 1u3y s ASP 297 CO 0.55 -0.66 0.71 0.72 -0.17 0.00 0.00 175.17 176.32 1u3y s PHE 298 N 2.27 -0.37 0.38 -5.34 -0.71 -1.26 -1.66 117.98 111.29 1u3y s PHE 298 Ca 0.13 0.08 0.08 0.00 -1.04 0.00 0.00 56.93 56.18 1u3y s PHE 298 Cb -0.17 0.61 -0.07 0.00 -1.21 0.00 0.00 43.02 42.18 1u3y s PHE 298 CO 0.14 -0.93 0.02 -1.54 -1.34 0.00 0.00 175.22 171.56 1u3y s SER 299 N -2.79 4.01 0.49 1.98 1.04 -1.26 -5.02 113.70 112.16 1u3y s SER 299 Ca 0.06 -1.19 0.20 0.00 0.48 0.00 0.00 55.95 55.50 1u3y s SER 299 Cb -0.03 -0.43 1.25 0.00 0.10 0.00 0.00 66.02 66.91 1u3y s SER 299 CO -0.05 -0.36 2.00 -0.65 0.98 0.00 0.00 173.24 175.16 1u3y h PRO 300 N 1.78 0.15 0.00 4.02 0.11 -1.97 0.13 132.00 136.21 1u3y h PRO 300 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1u3y h PRO 300 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1u3y h PRO 300 CO 0.73 0.10 0.00 1.79 -0.21 0.00 0.00 178.00 180.41 1u3y h THR 301 N 0.15 0.00 -0.00 -1.15 1.35 -1.96 -2.12 112.91 109.18 1u3y h THR 301 Ca 0.25 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1u3y h THR 301 Cb 0.78 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 1u3y h THR 301 CO -0.03 0.00 -0.07 0.47 -0.25 0.00 0.00 175.52 175.64 1u3y n ASP 302 N -2.79 0.32 -4.64 5.36 8.00 0.44 -4.71 116.55 118.54 1u3y n ASP 302 Ca 0.00 -0.52 -0.41 0.00 0.71 0.00 0.00 54.79 54.57 1u3y n ASP 302 Cb 0.22 -0.12 -0.06 0.00 -0.02 0.00 0.00 41.12 41.14 1u3y n ASP 302 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1u3y s VAL 303 N -2.44 4.94 -0.52 2.53 1.01 -0.80 -1.54 120.40 123.59 1u3y s VAL 303 Ca 0.31 1.29 -0.17 0.00 0.00 0.00 0.00 61.98 63.41 1u3y s VAL 303 Cb 0.20 -4.00 0.09 0.00 0.00 0.00 0.00 36.38 32.67 1u3y s VAL 303 CO 0.46 0.01 0.52 -2.28 0.00 0.00 0.00 175.10 173.81 1u3y s HIS 304 N 2.48 3.16 -1.30 5.22 2.46 0.11 -4.51 115.29 122.91 1u3y s HIS 304 Ca 0.30 -0.92 -0.08 0.00 0.47 0.00 0.00 55.06 54.83 1u3y s HIS 304 Cb -0.16 -3.53 0.05 0.00 -0.13 0.00 0.00 32.58 28.81 1u3y s HIS 304 CO 0.09 -0.98 0.46 0.54 -2.47 0.00 0.00 174.74 172.38 1u3y n ARG 305 N 5.62 -3.54 -0.90 2.88 5.12 -1.26 -1.24 116.66 123.34 1u3y n ARG 305 Ca -0.11 0.56 0.00 0.00 -1.93 0.00 0.00 57.85 56.37 1u3y n ARG 305 Cb 0.43 -5.28 0.00 0.00 -1.16 0.00 0.00 32.46 26.45 1u3y n ARG 305 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1u3y n GLN 306 N -3.69 -0.65 0.00 5.56 6.02 -1.26 -4.78 117.38 118.57 1u3y n GLN 306 Ca -0.04 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 1u3y n GLN 306 Cb 0.56 -3.85 0.00 0.00 1.02 0.00 0.00 30.24 27.97 1u3y n GLN 306 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1u3y n PHE 307 N -2.30 0.00 -3.68 1.08 3.72 -0.37 -1.19 117.46 114.72 1u3y n PHE 307 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 1u3y n PHE 307 Cb 0.16 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.64 1u3y n PHE 307 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1u3y s ALA 308 N -0.10 -0.93 -0.06 4.37 0.00 -1.06 -1.63 121.76 122.35 1u3y s ALA 308 Ca 0.00 0.21 -0.00 0.00 0.00 0.00 0.00 51.96 52.16 1u3y s ALA 308 Cb 0.00 0.38 0.03 0.00 0.00 0.00 0.00 23.12 23.52 1u3y s ALA 308 CO 0.00 -0.47 -0.01 0.42 0.00 0.00 0.00 175.76 175.70 1u3y s ILE 309 N -2.64 0.41 -0.24 0.00 1.01 0.07 0.09 121.20 119.91 1u3y s ILE 309 Ca -0.04 0.03 -0.13 0.00 0.00 0.00 0.00 60.65 60.51 1u3y s ILE 309 Cb -0.00 -0.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.90 1u3y s ILE 309 CO -0.04 0.24 0.28 0.00 0.00 0.00 0.00 174.94 175.42 1u3y s PHE 311 N 1.45 0.64 -0.05 0.00 -0.71 -0.61 -4.79 117.98 113.90 1u3y s PHE 311 Ca 0.12 -0.95 0.02 0.00 -1.04 0.00 0.00 56.93 55.08 1u3y s PHE 311 Cb -0.15 -0.10 -0.03 0.00 -1.21 0.00 0.00 43.02 41.54 1u3y s PHE 311 CO 0.08 -0.84 -0.10 0.15 -1.34 0.00 0.00 175.22 173.16 1u3y s LYS 312 N -4.06 2.62 0.55 1.99 1.02 -0.67 -0.57 119.74 120.62 1u3y s LYS 312 Ca 0.27 -0.63 -0.21 0.00 0.02 0.00 0.00 55.97 55.43 1u3y s LYS 312 Cb 0.02 -2.49 -0.05 0.00 -0.52 0.00 0.00 37.83 34.80 1u3y s LYS 312 CO 0.09 0.64 1.24 0.95 -0.92 0.00 0.00 175.35 177.35 1u3y s THR 313 N -0.79 2.58 0.58 2.17 -4.23 -0.54 -0.66 115.64 114.75 1u3y s THR 313 Ca 0.12 0.40 -0.16 0.00 -1.18 0.00 0.00 61.69 60.88 1u3y s THR 313 Cb -0.11 -3.19 -0.05 0.00 1.34 0.00 0.00 72.50 70.50 1u3y s THR 313 CO 0.01 -0.04 1.04 -2.16 -0.54 0.00 0.00 174.62 172.94 1u3y s PRO 314 N -3.04 3.45 0.31 3.99 0.04 -1.26 -0.10 135.00 138.39 1u3y s PRO 314 Ca 0.72 1.14 -0.29 0.00 0.04 0.00 0.00 61.00 62.62 1u3y s PRO 314 Cb -0.33 -2.05 -0.11 0.00 0.04 0.00 0.00 34.50 32.05 1u3y s PRO 314 CO 0.38 -0.70 1.47 0.21 0.04 0.00 0.00 177.00 178.40 1u3y s LYS 315 N -4.09 4.20 0.79 4.56 2.20 -1.26 -4.17 119.74 121.97 1u3y s LYS 315 Ca 0.62 2.44 -0.11 0.00 -0.36 0.00 0.00 55.97 58.56 1u3y s LYS 315 Cb -0.15 -3.04 0.07 0.00 -1.51 0.00 0.00 37.83 33.20 1u3y s LYS 315 CO 0.36 -0.46 1.09 -0.47 -0.36 0.00 0.00 175.35 175.51 1u3y s TYR 316 N -0.56 2.80 0.47 4.03 5.04 -0.14 -4.92 117.35 124.07 1u3y s TYR 316 Ca 0.56 1.22 0.24 0.00 -2.44 0.00 0.00 57.07 56.64 1u3y s TYR 316 Cb -0.44 -3.09 1.39 0.00 0.35 0.00 0.00 41.96 40.17 1u3y s TYR 316 CO 0.52 -1.77 2.09 1.57 -1.34 0.00 0.00 175.55 176.63 1u3y h LYS 317 N -1.09 0.00 -2.99 4.97 2.10 -1.95 -3.39 116.57 114.21 1u3y h LYS 317 Ca -0.47 0.00 -0.50 0.00 -2.00 0.00 0.00 60.65 57.68 1u3y h LYS 317 Cb 1.26 0.00 -0.40 0.00 -0.90 0.00 0.00 32.23 32.19 1u3y h LYS 317 CO 0.58 0.11 -0.76 0.34 -2.00 0.00 0.00 179.45 177.71 1u3y s ASP 318 N -6.45 3.01 0.00 7.07 2.15 -1.26 -5.00 116.67 116.19 1u3y s ASP 318 Ca -0.04 -0.99 0.28 0.00 0.43 0.00 0.00 52.55 52.24 1u3y s ASP 318 Cb 0.14 -0.35 1.57 0.00 -0.30 0.00 0.00 42.92 43.98 1u3y s ASP 318 CO 0.61 -0.39 2.02 1.33 -0.17 0.00 0.00 175.17 178.57 1u3y n VAL 319 N 5.23 0.01 -0.41 1.11 0.24 -1.26 -3.31 118.33 119.93 1u3y n VAL 319 Ca -0.06 -0.05 0.08 0.00 -2.04 0.00 0.00 64.34 62.26 1u3y n VAL 319 Cb 0.45 -0.27 0.23 0.00 -1.47 0.00 0.00 33.84 32.78 1u3y n VAL 319 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1u3y n ASN 320 N -0.73 3.54 -4.67 -1.34 3.02 -1.26 -4.63 115.26 109.19 1u3y n ASN 320 Ca 0.21 -2.23 -0.37 0.00 -0.03 0.00 0.00 54.58 52.16 1u3y n ASN 320 Cb 0.15 -0.38 0.07 0.00 -0.61 0.00 0.00 39.78 39.01 1u3y n ASN 320 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1u3y n ILE 321 N 0.62 4.03 0.45 2.41 -5.35 -1.21 -4.92 119.36 115.39 1u3y n ILE 321 Ca 0.17 -0.46 0.05 0.00 -0.27 0.00 0.00 62.75 62.24 1u3y n ILE 321 Cb 0.61 -1.28 -0.04 0.00 -1.74 0.00 0.00 39.64 37.18 1u3y n ILE 321 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1u3y n THR 322 N -2.05 0.00 -4.01 7.28 -2.24 -1.26 -4.60 114.28 107.40 1u3y n THR 322 Ca 0.15 -0.31 -0.09 0.00 -2.27 0.00 0.00 64.05 61.53 1u3y n THR 322 Cb 0.48 1.03 -0.09 0.00 -2.10 0.00 0.00 70.33 69.66 1u3y n THR 322 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1u3y s LYS 323 N -1.75 0.87 0.56 -0.78 -2.85 -1.26 -4.93 119.74 109.60 1u3y s LYS 323 Ca 0.05 -1.19 -0.21 0.00 -1.00 0.00 0.00 55.97 53.62 1u3y s LYS 323 Cb 0.07 0.29 -0.04 0.00 -2.06 0.00 0.00 37.83 36.09 1u3y s LYS 323 CO 0.35 -0.26 1.36 -2.30 0.10 0.00 0.00 175.35 174.60 1u3y n PRO 324 N -0.06 1.64 -4.32 1.78 -0.02 -1.26 -4.63 135.00 128.14 1u3y n PRO 324 Ca -0.11 0.61 -0.33 0.00 -2.02 0.00 0.00 63.50 61.65 1u3y n PRO 324 Cb 0.62 -2.58 -0.16 0.00 -0.02 0.00 0.00 33.50 31.37 1u3y n PRO 324 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u3y s ALA 325 N -1.29 2.40 -0.19 3.55 0.00 0.42 -4.97 121.76 121.67 1u3y s ALA 325 Ca 0.73 -1.15 -0.19 0.00 0.00 0.00 0.00 51.96 51.35 1u3y s ALA 325 Cb -0.41 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.48 1u3y s ALA 325 CO 0.48 -0.21 0.53 -1.12 0.00 0.00 0.00 175.76 175.44 1u3y s SER 326 N 1.10 6.58 0.44 0.00 0.01 -1.26 -0.76 113.70 119.82 1u3y s SER 326 Ca 0.00 0.70 0.02 0.00 1.31 0.00 0.00 55.95 57.99 1u3y s SER 326 Cb -0.14 -2.30 -0.01 0.00 0.21 0.00 0.00 66.02 63.78 1u3y s SER 326 CO -0.07 -0.18 0.09 1.33 0.41 0.00 0.00 173.24 174.82 1u3y n VAL 327 N 4.52 0.00 -4.42 3.43 0.24 0.85 -4.95 118.33 117.99 1u3y n VAL 327 Ca -0.04 -2.36 -0.26 0.00 -2.04 0.00 0.00 64.34 59.63 1u3y n VAL 327 Cb 0.50 0.70 -0.11 0.00 -1.47 0.00 0.00 33.84 33.46 1u3y n VAL 327 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1u3y s PHE 328 N -2.97 2.33 -0.02 6.34 0.08 -0.14 -1.01 117.98 122.59 1u3y s PHE 328 Ca 0.13 -0.34 0.04 0.00 0.12 0.00 0.00 56.93 56.87 1u3y s PHE 328 Cb 0.01 -1.12 -0.01 0.00 -0.57 0.00 0.00 43.02 41.33 1u3y s PHE 328 CO 0.09 0.55 -0.14 0.54 -0.10 0.00 0.00 175.22 176.16 1u3y s VAL 329 N -1.87 1.13 0.04 -0.44 0.11 -0.02 -0.75 120.40 118.59 1u3y s VAL 329 Ca 0.23 -0.58 0.00 0.00 -2.93 0.00 0.00 61.98 58.71 1u3y s VAL 329 Cb -0.07 -0.96 -0.03 0.00 -1.53 0.00 0.00 36.38 33.79 1u3y s VAL 329 CO 0.11 0.33 -0.04 0.00 -3.33 0.00 0.00 175.10 172.17 1u3y s GLN 330 N -0.10 0.46 0.44 1.54 -2.07 0.01 -0.73 119.66 119.22 1u3y s GLN 330 Ca 0.01 -0.86 -0.22 0.00 -1.82 0.00 0.00 55.36 52.47 1u3y s GLN 330 Cb -0.08 0.07 -0.09 0.00 -1.09 0.00 0.00 33.01 31.81 1u3y s GLN 330 CO 0.00 -0.05 1.01 -0.51 -1.32 0.00 0.00 175.29 174.43 1u3y s LEU 331 N -2.01 3.96 -0.08 2.60 1.43 -1.26 -0.90 118.68 122.42 1u3y s LEU 331 Ca -0.07 1.89 -0.04 0.00 -1.03 0.00 0.00 54.13 54.89 1u3y s LEU 331 Cb -0.04 -4.44 0.04 0.00 0.03 0.00 0.00 46.19 41.78 1u3y s LEU 331 CO -0.04 -0.58 0.17 -0.60 0.23 0.00 0.00 176.35 175.54 1u3y s ARG 332 N -2.99 0.13 0.12 1.70 3.52 -0.59 -1.14 118.95 119.70 1u3y s ARG 332 Ca 0.63 0.41 -0.30 0.00 -0.13 0.00 0.00 55.73 56.34 1u3y s ARG 332 Cb -0.16 -0.15 -0.06 0.00 -1.56 0.00 0.00 34.95 33.02 1u3y s ARG 332 CO 0.20 -0.16 1.07 0.50 -0.81 0.00 0.00 175.30 176.11 1u3y s ARG 333 N 1.15 4.59 0.28 5.12 3.52 0.12 -0.68 118.95 133.04 1u3y s ARG 333 Ca -0.09 1.63 0.07 0.00 -0.13 0.00 0.00 55.73 57.21 1u3y s ARG 333 Cb -0.11 -3.33 0.41 0.00 -1.56 0.00 0.00 34.95 30.36 1u3y s ARG 333 CO -0.06 0.03 1.67 0.87 -0.81 0.00 0.00 175.30 177.00 1u3y h LYS 334 N 5.69 0.20 -0.00 5.12 1.57 -1.89 -0.92 116.57 126.35 1u3y h LYS 334 Ca -0.43 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.24 1u3y h LYS 334 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1u3y h LYS 334 CO 0.74 0.64 -0.01 0.66 -0.57 0.00 0.00 179.45 180.91 1u3y h SER 335 N 0.17 0.01 0.00 0.86 4.64 -1.92 -3.36 113.55 113.94 1u3y h SER 335 Ca 0.01 -0.59 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 1u3y h SER 335 Cb 0.90 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1u3y h SER 335 CO 0.07 0.59 0.00 -0.90 -0.87 0.00 0.00 176.83 175.73 1u3y n ASP 336 N -4.80 1.65 -1.48 4.97 5.75 -1.25 -5.01 116.55 116.37 1u3y n ASP 336 Ca -0.09 -1.73 -0.19 0.00 -0.01 0.00 0.00 54.79 52.77 1u3y n ASP 336 Cb 0.30 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.31 1u3y n ASP 336 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1u3y n LEU 337 N -0.37 -1.31 -4.77 -2.12 4.77 -0.35 -4.96 117.00 107.89 1u3y n LEU 337 Ca 0.00 0.47 -0.40 0.00 -0.03 0.00 0.00 56.01 56.05 1u3y n LEU 337 Cb 0.22 -2.77 -0.01 0.00 -2.33 0.00 0.00 43.42 38.54 1u3y n LEU 337 CO 0.00 -1.05 1.03 -0.70 -1.33 0.00 0.00 177.39 175.33 1u3y s GLU 338 N -3.60 4.07 0.20 3.23 2.56 -1.25 -4.71 118.70 119.20 1u3y s GLU 338 Ca 0.00 2.32 0.09 0.00 0.00 0.00 0.00 54.97 57.38 1u3y s GLU 338 Cb 0.00 -2.88 -0.04 0.00 2.00 0.00 0.00 34.13 33.20 1u3y s GLU 338 CO 0.00 -0.47 -0.19 0.95 -0.56 0.00 0.00 175.26 175.00 1u3y s THR 339 N -1.18 2.01 0.76 -1.70 -4.23 -1.26 -0.70 115.64 109.33 1u3y s THR 339 Ca 0.54 -2.07 -0.11 0.00 -1.18 0.00 0.00 61.69 58.87 1u3y s THR 339 Cb -0.42 -2.01 0.05 0.00 1.34 0.00 0.00 72.50 71.47 1u3y s THR 339 CO 0.55 -0.34 1.12 -0.94 -0.54 0.00 0.00 174.62 174.47 1u3y s SER 340 N -2.92 4.88 0.50 3.99 1.04 -0.29 -4.58 113.70 116.31 1u3y s SER 340 Ca 0.20 0.85 -0.23 0.00 0.48 0.00 0.00 55.95 57.25 1u3y s SER 340 Cb -0.05 -1.47 -0.06 0.00 0.10 0.00 0.00 66.02 64.53 1u3y s SER 340 CO 0.09 -1.66 1.36 -1.61 0.98 0.00 0.00 173.24 172.40 1u3y s GLU 341 N -5.45 3.41 0.50 4.02 0.41 -1.26 -4.69 118.70 115.64 1u3y s GLU 341 Ca 0.60 2.26 -0.18 0.00 -0.41 0.00 0.00 54.97 57.24 1u3y s GLU 341 Cb -0.11 -2.43 -0.08 0.00 -1.78 0.00 0.00 34.13 29.73 1u3y s GLU 341 CO 0.49 -0.98 0.99 -1.25 -0.49 0.00 0.00 175.26 174.02 1u3y s PRO 342 N -2.70 3.95 -0.05 0.39 0.04 -1.26 -4.74 135.00 130.62 1u3y s PRO 342 Ca 0.67 1.07 0.04 0.00 0.04 0.00 0.00 61.00 62.81 1u3y s PRO 342 Cb -0.41 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 1u3y s PRO 342 CO 0.50 -0.28 -0.14 0.15 0.04 0.00 0.00 177.00 177.27 1u3y s LYS 343 N -3.72 2.51 0.52 4.56 -0.14 0.09 -4.93 119.74 118.63 1u3y s LYS 343 Ca 0.61 -0.69 -0.21 0.00 -1.36 0.00 0.00 55.97 54.32 1u3y s LYS 343 Cb -0.11 -2.38 -0.06 0.00 -1.68 0.00 0.00 37.83 33.60 1u3y s LYS 343 CO 0.25 0.62 1.18 -1.25 -0.76 0.00 0.00 175.35 175.40 1u3y s PRO 344 N -0.72 3.41 -0.08 -1.68 0.04 -1.26 -0.84 135.00 133.87 1u3y s PRO 344 Ca 0.11 1.79 -0.05 0.00 0.04 0.00 0.00 61.00 62.89 1u3y s PRO 344 Cb -0.11 -2.17 0.03 0.00 0.04 0.00 0.00 34.50 32.29 1u3y s PRO 344 CO 0.01 -0.84 0.19 0.12 0.04 0.00 0.00 177.00 176.51 1u3y s PHE 345 N -1.59 -0.22 -0.28 0.56 5.36 -0.18 -4.82 117.98 116.80 1u3y s PHE 345 Ca 0.70 0.57 -0.08 0.00 -0.96 0.00 0.00 56.93 57.16 1u3y s PHE 345 Cb -0.29 0.00 -0.01 0.00 -0.34 0.00 0.00 43.02 42.38 1u3y s PHE 345 CO 0.33 -0.17 0.10 -1.17 -1.46 0.00 0.00 175.22 172.86 1u3y s LEU 346 N 0.87 3.74 0.09 6.12 2.96 -0.46 -0.11 118.68 131.89 1u3y s LEU 346 Ca -0.06 -0.43 -0.25 0.00 -0.22 0.00 0.00 54.13 53.17 1u3y s LEU 346 Cb -0.08 -1.94 -0.06 0.00 0.50 0.00 0.00 46.19 44.61 1u3y s LEU 346 CO -0.05 -0.12 0.75 -0.31 -1.32 0.00 0.00 176.35 175.30 1u3y s TYR 347 N 1.59 3.80 0.15 5.38 2.02 0.06 -1.24 117.35 129.11 1u3y s TYR 347 Ca 0.05 1.51 0.09 0.00 -0.37 0.00 0.00 57.07 58.35 1u3y s TYR 347 Cb -0.16 -2.77 -0.04 0.00 -0.40 0.00 0.00 41.96 38.59 1u3y s TYR 347 CO 0.04 0.38 -0.21 1.52 -1.57 0.00 0.00 175.55 175.72 1u3y s TYR 348 N -0.52 1.95 0.69 2.71 -0.85 -0.04 -0.43 117.35 120.85 1u3y s TYR 348 Ca 0.37 -0.43 -0.17 0.00 -0.52 0.00 0.00 57.07 56.33 1u3y s TYR 348 Cb -0.21 -1.00 0.02 0.00 0.38 0.00 0.00 41.96 41.14 1u3y s TYR 348 CO 0.24 0.33 1.25 -2.14 -1.52 0.00 0.00 175.55 173.71 1u3y s PRO 349 N -2.46 2.33 0.00 -3.49 0.02 -1.26 -1.59 135.00 128.54 1u3y s PRO 349 Ca 0.14 1.92 0.18 0.00 0.02 0.00 0.00 61.00 63.26 1u3y s PRO 349 Cb -0.08 -1.84 1.06 0.00 0.02 0.00 0.00 34.50 33.67 1u3y s PRO 349 CO 0.07 -1.73 1.46 -1.91 -0.33 0.00 0.00 177.00 174.56