#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u42 n ASN 247 N 0.00 0.00 -4.61 -3.46 2.85 -1.26 -4.98 115.26 103.80 1u42 n ASN 247 Ca 0.00 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.07 1u42 n ASN 247 Cb 0.00 -0.01 -0.07 0.00 1.24 0.00 0.00 39.78 40.94 1u42 n ASN 247 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1u42 s LEU 248 N 0.00 4.09 -0.10 1.20 1.43 -1.26 -4.55 118.68 119.49 1u42 s LEU 248 Ca 0.00 0.47 -0.08 0.00 -1.03 0.00 0.00 54.13 53.48 1u42 s LEU 248 Cb 0.00 -2.68 0.03 0.00 0.03 0.00 0.00 46.19 43.57 1u42 s LEU 248 CO 0.00 -0.33 0.27 -0.75 0.23 0.00 0.00 176.35 175.76 1u42 s LYS 249 N 2.37 0.29 -1.07 1.70 2.20 -1.26 -5.04 119.74 118.92 1u42 s LYS 249 Ca 0.22 0.42 -0.19 0.00 -0.36 0.00 0.00 55.97 56.06 1u42 s LYS 249 Cb -0.15 0.08 0.10 0.00 -1.51 0.00 0.00 37.83 36.35 1u42 s LYS 249 CO 0.10 -0.07 1.39 0.42 -0.36 0.00 0.00 175.35 176.83 1u42 s ILE 250 N 0.45 4.43 0.12 5.43 1.01 -1.26 -2.70 121.20 128.68 1u42 s ILE 250 Ca -0.03 -1.58 -0.20 0.00 0.00 0.00 0.00 60.65 58.84 1u42 s ILE 250 Cb -0.04 -4.96 -0.05 0.00 0.01 0.00 0.00 42.46 37.41 1u42 s ILE 250 CO -0.02 -1.75 1.72 0.58 0.00 0.00 0.00 174.94 175.46 1u42 h VAL 251 N 5.87 0.86 -3.11 2.92 2.07 -1.64 -3.46 116.25 119.75 1u42 h VAL 251 Ca 0.25 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.70 1u42 h VAL 251 Cb 0.96 0.83 -0.15 0.00 -1.52 0.00 0.00 31.29 31.41 1u42 h VAL 251 CO 1.29 0.01 -0.04 -0.13 0.02 0.00 0.00 177.57 178.72 1u42 s ARG 252 N -6.20 1.03 -0.12 1.57 3.00 -0.38 -4.97 118.95 112.89 1u42 s ARG 252 Ca -0.13 -0.48 -0.04 0.00 0.00 0.00 0.00 55.73 55.08 1u42 s ARG 252 Cb 0.09 0.46 0.06 0.00 0.00 0.00 0.00 34.95 35.56 1u42 s ARG 252 CO 0.68 -0.39 0.17 -1.64 0.00 0.00 0.00 175.30 174.13 1u42 s MET 253 N -3.08 0.07 0.00 3.54 -1.94 -1.26 0.13 119.30 116.76 1u42 s MET 253 Ca -0.02 0.47 0.10 0.00 -1.71 0.00 0.00 55.69 54.53 1u42 s MET 253 Cb 0.00 -0.54 0.60 0.00 2.01 0.00 0.00 34.83 36.91 1u42 s MET 253 CO -0.07 -0.40 1.08 -0.40 -0.01 0.00 0.00 175.02 175.23 1u42 n ASP 254 N 5.32 0.00 -3.64 3.03 5.75 -0.62 -4.53 116.55 121.87 1u42 n ASP 254 Ca -0.05 -0.85 -0.05 0.00 -0.01 0.00 0.00 54.79 53.83 1u42 n ASP 254 Cb 0.50 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.53 1u42 n ASP 254 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1u42 s ARG 255 N -2.00 0.64 -0.15 0.11 0.52 -1.26 -4.95 118.95 111.85 1u42 s ARG 255 Ca 0.15 1.26 0.18 0.00 -0.52 0.00 0.00 55.73 56.80 1u42 s ARG 255 Cb 0.07 0.39 0.39 0.00 0.52 0.00 0.00 34.95 36.33 1u42 s ARG 255 CO 0.12 -0.16 1.27 0.25 0.02 0.00 0.00 175.30 176.79 1u42 n THR 256 N 4.69 2.07 -3.71 0.02 -2.24 -1.26 -5.00 114.28 108.84 1u42 n THR 256 Ca -0.17 -2.15 -0.12 0.00 -2.27 0.00 0.00 64.05 59.34 1u42 n THR 256 Cb 0.55 -0.25 -0.07 0.00 -2.10 0.00 0.00 70.33 68.47 1u42 n THR 256 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u42 s ALA 257 N -2.88 -0.82 -0.04 6.98 0.00 -1.26 -5.18 121.76 118.56 1u42 s ALA 257 Ca 0.36 0.11 -0.30 0.00 0.00 0.00 0.00 51.96 52.13 1u42 s ALA 257 Cb 0.31 0.36 0.11 0.00 0.00 0.00 0.00 23.12 23.90 1u42 s ALA 257 CO 0.05 -0.45 1.00 0.20 0.00 0.00 0.00 175.76 176.56 1u42 s GLY 258 N -2.11 -0.39 0.19 0.00 0.00 -1.26 -5.14 107.32 98.60 1u42 s GLY 258 Ca -0.04 1.08 -0.30 0.00 0.00 0.00 0.00 44.72 45.46 1u42 s GLY 258 CO -0.04 0.35 1.27 0.00 0.00 0.00 0.00 173.10 174.68 1u42 h VAL 260 N 3.78 0.00 0.00 0.00 3.04 -2.07 1.17 116.25 122.16 1u42 h VAL 260 Ca -0.44 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 1u42 h VAL 260 Cb 1.21 0.24 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 1u42 h VAL 260 CO 0.76 0.00 -0.02 0.74 -1.01 0.00 0.00 177.57 178.04 1u42 h THR 261 N 0.00 0.00 -1.33 3.17 2.02 -2.06 -3.49 112.91 111.21 1u42 h THR 261 Ca 0.00 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.46 1u42 h THR 261 Cb 0.93 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.05 1u42 h THR 261 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1u42 n GLY 262 N 1.21 -0.57 1.02 2.16 0.00 0.40 -4.91 105.19 104.50 1u42 n GLY 262 Ca 0.05 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1u42 n GLY 262 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u42 n GLY 263 N 0.00 0.76 3.81 -0.02 0.00 -1.26 -4.97 105.19 103.50 1u42 n GLY 263 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1u42 n GLY 263 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u42 s GLU 264 N -0.55 4.02 0.29 1.61 2.02 -1.26 -5.07 118.70 119.76 1u42 s GLU 264 Ca 0.00 0.38 -0.29 0.00 0.02 0.00 0.00 54.97 55.09 1u42 s GLU 264 Cb 0.00 -3.28 -0.09 0.00 0.10 0.00 0.00 34.13 30.86 1u42 s GLU 264 CO 0.00 0.56 1.06 -1.83 0.02 0.00 0.00 175.26 175.07 1u42 s GLU 265 N -0.64 4.60 0.01 1.61 4.04 -1.26 -5.06 118.70 122.00 1u42 s GLU 265 Ca 0.23 1.69 -0.00 0.00 0.04 0.00 0.00 54.97 56.93 1u42 s GLU 265 Cb -0.16 -3.09 -0.01 0.00 0.02 0.00 0.00 34.13 30.90 1u42 s GLU 265 CO 0.12 0.21 -0.01 0.42 -1.84 0.00 0.00 175.26 174.16 1u42 s ILE 266 N -1.26 0.04 -0.34 1.83 1.01 -1.26 -5.03 121.20 116.19 1u42 s ILE 266 Ca 0.46 -0.36 -0.11 0.00 0.00 0.00 0.00 60.65 60.64 1u42 s ILE 266 Cb -0.29 -0.12 -0.00 0.00 0.01 0.00 0.00 42.46 42.06 1u42 s ILE 266 CO 0.37 -0.20 0.20 0.00 0.00 0.00 0.00 174.94 175.31 1u42 s MET 267 N -0.59 3.30 -0.12 2.79 0.00 -1.26 -5.01 119.30 118.41 1u42 s MET 267 Ca -0.06 -0.76 -0.02 0.00 0.00 0.00 0.00 55.69 54.85 1u42 s MET 267 Cb -0.04 -3.71 -0.03 0.00 0.00 0.00 0.00 34.83 31.06 1u42 s MET 267 CO -0.00 -0.49 -0.07 -1.17 0.00 0.00 0.00 175.02 173.29 1u42 s LEU 268 N 1.65 3.11 -0.05 0.18 0.20 -1.26 -1.58 118.68 120.93 1u42 s LEU 268 Ca 0.05 -0.14 0.00 0.00 0.69 0.00 0.00 54.13 54.73 1u42 s LEU 268 Cb -0.18 -1.72 -0.03 0.00 -0.43 0.00 0.00 46.19 43.83 1u42 s LEU 268 CO 0.08 0.23 -0.03 -0.76 -0.29 0.00 0.00 176.35 175.58 1u42 s LEU 269 N 0.00 3.36 0.26 -0.68 1.43 0.34 -4.97 118.68 118.43 1u42 s LEU 269 Ca -0.01 0.02 -0.13 0.00 -1.03 0.00 0.00 54.13 52.98 1u42 s LEU 269 Cb -0.14 -1.80 -0.00 0.00 0.03 0.00 0.00 46.19 44.28 1u42 s LEU 269 CO 0.03 0.34 0.50 0.00 0.23 0.00 0.00 176.35 177.46 1u42 n ASP 271 N -0.44 -0.07 -4.68 0.00 10.43 -1.10 -4.85 116.55 115.83 1u42 n ASP 271 Ca -0.02 -0.13 -0.45 0.00 2.57 0.00 0.00 54.79 56.77 1u42 n ASP 271 Cb 0.62 0.00 -0.04 0.00 1.84 0.00 0.00 41.12 43.54 1u42 n ASP 271 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 1u42 n LYS 272 N -0.20 2.44 -4.01 -1.24 4.81 -1.26 -4.91 118.16 113.79 1u42 n LYS 272 Ca 0.00 0.89 -0.10 0.00 -0.87 0.00 0.00 58.31 58.23 1u42 n LYS 272 Cb 0.00 -2.72 -0.07 0.00 0.02 0.00 0.00 35.03 32.26 1u42 n LYS 272 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1u42 s VAL 273 N 2.11 0.04 -0.13 3.15 -7.23 -1.26 -4.78 120.40 112.30 1u42 s VAL 273 Ca 0.82 -1.50 -0.05 0.00 -1.81 0.00 0.00 61.98 59.44 1u42 s VAL 273 Cb -0.60 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 1u42 s VAL 273 CO 0.39 -0.19 0.06 -1.58 -0.31 0.00 0.00 175.10 173.48 1u42 s GLN 274 N -4.01 3.43 0.22 4.82 -0.44 -1.26 -5.02 119.66 117.41 1u42 s GLN 274 Ca 0.22 -0.30 -0.08 0.00 -2.50 0.00 0.00 55.36 52.70 1u42 s GLN 274 Cb 0.03 -3.05 0.19 0.00 -1.64 0.00 0.00 33.01 28.55 1u42 s GLN 274 CO 0.04 0.60 1.87 1.57 0.50 0.00 0.00 175.29 179.87 1u42 h LYS 275 N 5.55 1.16 -0.63 1.67 2.10 -1.93 -2.77 116.57 121.73 1u42 h LYS 275 Ca -0.48 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.07 1u42 h LYS 275 Cb 1.20 -0.25 0.00 0.00 -0.90 0.00 0.00 32.23 32.28 1u42 h LYS 275 CO 0.60 0.81 0.00 -0.25 -2.00 0.00 0.00 179.45 178.61 1u42 n ASP 276 N -4.43 3.90 -0.16 7.07 8.00 -1.26 -4.18 116.55 125.49 1u42 n ASP 276 Ca 0.09 -2.28 0.05 0.00 0.71 0.00 0.00 54.79 53.36 1u42 n ASP 276 Cb 0.05 -0.50 0.06 0.00 -0.02 0.00 0.00 41.12 40.71 1u42 n ASP 276 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1u42 n ASP 277 N 1.03 1.42 -4.34 -2.24 4.64 -1.05 -5.07 116.55 110.94 1u42 n ASP 277 Ca 0.22 -2.39 -0.23 0.00 -1.38 0.00 0.00 54.79 51.01 1u42 n ASP 277 Cb 0.71 -0.25 -0.11 0.00 -1.04 0.00 0.00 41.12 40.43 1u42 n ASP 277 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 1u42 s ILE 278 N -1.48 1.91 -0.15 5.18 1.10 -1.19 -4.87 121.20 121.70 1u42 s ILE 278 Ca 0.14 -1.90 -0.17 0.00 -0.51 0.00 0.00 60.65 58.22 1u42 s ILE 278 Cb 0.13 -1.87 0.04 0.00 0.15 0.00 0.00 42.46 40.92 1u42 s ILE 278 CO 0.01 -0.25 0.46 0.00 -2.11 0.00 0.00 174.94 173.06 1u42 s GLN 279 N -2.67 0.59 -0.43 3.50 -2.07 -1.26 -5.06 119.66 112.27 1u42 s GLN 279 Ca 0.16 0.53 -0.16 0.00 -1.82 0.00 0.00 55.36 54.06 1u42 s GLN 279 Cb -0.07 0.28 0.03 0.00 -1.09 0.00 0.00 33.01 32.17 1u42 s GLN 279 CO 0.07 -0.09 0.38 0.42 -1.32 0.00 0.00 175.29 174.75 1u42 s ILE 280 N -0.03 5.18 -0.15 3.63 1.01 -1.26 -5.04 121.20 124.54 1u42 s ILE 280 Ca -0.02 -0.62 -0.06 0.00 0.00 0.00 0.00 60.65 59.95 1u42 s ILE 280 Cb -0.03 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1u42 s ILE 280 CO 0.02 -0.42 0.07 -0.60 0.00 0.00 0.00 174.94 174.00 1u42 s ARG 281 N 1.88 3.66 -0.15 2.79 3.52 -1.26 -1.67 118.95 127.73 1u42 s ARG 281 Ca 0.08 -0.31 -0.03 0.00 -0.13 0.00 0.00 55.73 55.34 1u42 s ARG 281 Cb -0.19 -3.13 -0.02 0.00 -1.56 0.00 0.00 34.95 30.05 1u42 s ARG 281 CO 0.11 0.47 -0.06 -0.06 -0.81 0.00 0.00 175.30 174.95 1u42 s PHE 282 N -0.19 2.97 0.17 5.12 0.40 0.18 -4.96 117.98 121.67 1u42 s PHE 282 Ca 0.08 -0.37 -0.04 0.00 -0.60 0.00 0.00 56.93 56.00 1u42 s PHE 282 Cb -0.12 -1.92 -0.03 0.00 0.51 0.00 0.00 43.02 41.46 1u42 s PHE 282 CO 0.01 -0.06 0.18 1.52 0.70 0.00 0.00 175.22 177.57 1u42 s TYR 283 N 0.31 0.80 -0.20 0.36 1.13 -1.26 -0.03 117.35 118.45 1u42 s TYR 283 Ca -0.05 -1.12 -0.04 0.00 -1.41 0.00 0.00 57.07 54.45 1u42 s TYR 283 Cb -0.14 -0.34 0.09 0.00 -1.10 0.00 0.00 41.96 40.47 1u42 s TYR 283 CO 0.04 -0.65 0.22 -2.00 -2.51 0.00 0.00 175.55 170.64 1u42 s GLU 284 N -4.06 0.18 -0.47 -3.49 2.12 -0.30 -4.96 118.70 107.72 1u42 s GLU 284 Ca 0.27 0.20 -0.27 0.00 0.36 0.00 0.00 54.97 55.53 1u42 s GLU 284 Cb 0.05 -1.21 -0.03 0.00 0.26 0.00 0.00 34.13 33.20 1u42 s GLU 284 CO 0.05 -0.65 1.99 -1.83 -0.54 0.00 0.00 175.26 174.28 1u42 s GLU 285 N 2.32 2.76 0.60 4.30 4.04 -1.26 -2.32 118.70 129.14 1u42 s GLU 285 Ca 0.07 1.13 0.30 0.00 0.04 0.00 0.00 54.97 56.50 1u42 s GLU 285 Cb -0.16 -4.37 1.64 0.00 0.02 0.00 0.00 34.13 31.27 1u42 s GLU 285 CO -0.12 -2.54 2.04 0.78 -1.84 0.00 0.00 175.26 173.58 1u42 h GLY 290 N 16.19 0.00 -6.13 -3.83 0.00 -2.09 -3.49 103.07 103.71 1u42 h GLY 290 Ca -0.29 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 1u42 h GLY 290 CO 1.13 0.00 -0.42 0.14 0.00 0.00 0.00 176.54 177.39 1u42 s VAL 291 N -4.55 -0.86 0.20 4.60 1.01 -1.26 -5.16 120.40 114.38 1u42 s VAL 291 Ca -0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 1u42 s VAL 291 Cb 0.14 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 1u42 s VAL 291 CO 0.51 -0.10 0.43 0.86 0.00 0.00 0.00 175.10 176.81 1u42 s TRP 292 N 2.73 3.47 0.26 5.22 -0.00 -0.98 -4.94 118.94 124.70 1u42 s TRP 292 Ca 0.12 0.53 -0.12 0.00 -0.00 0.00 0.00 56.10 56.63 1u42 s TRP 292 Cb -0.12 -2.00 -0.00 0.00 -0.00 0.00 0.00 33.47 31.35 1u42 s TRP 292 CO -0.26 0.35 0.49 -1.83 -0.00 0.00 0.00 176.95 175.70 1u42 s GLU 293 N -3.07 1.61 -0.23 5.86 -1.05 -1.26 -1.15 118.70 119.41 1u42 s GLU 293 Ca 0.41 -1.31 -0.29 0.00 -0.15 0.00 0.00 54.97 53.63 1u42 s GLU 293 Cb -0.11 0.47 0.16 0.00 -0.44 0.00 0.00 34.13 34.21 1u42 s GLU 293 CO 0.27 -0.67 1.19 0.20 0.95 0.00 0.00 175.26 177.20 1u42 s GLY 294 N -3.04 -0.06 0.19 -3.83 0.00 0.95 -4.94 107.32 96.59 1u42 s GLY 294 Ca 0.23 2.54 0.11 0.00 0.00 0.00 0.00 44.72 47.60 1u42 s GLY 294 CO 0.10 1.20 -0.22 -1.36 0.00 0.00 0.00 173.10 172.81 1u42 s PHE 295 N -0.88 2.34 0.29 1.90 0.40 -1.26 0.50 117.98 121.27 1u42 s PHE 295 Ca 0.04 -0.34 -0.29 0.00 -0.60 0.00 0.00 56.93 55.74 1u42 s PHE 295 Cb -0.01 -1.16 -0.09 0.00 0.51 0.00 0.00 43.02 42.26 1u42 s PHE 295 CO -0.04 0.50 1.09 0.20 0.70 0.00 0.00 175.22 177.67 1u42 s GLY 296 N -2.69 3.03 -0.34 4.36 0.00 -0.67 -4.99 107.32 106.02 1u42 s GLY 296 Ca 0.21 0.87 -0.22 0.00 0.00 0.00 0.00 44.72 45.58 1u42 s GLY 296 CO 0.10 1.45 0.72 -0.35 0.00 0.00 0.00 173.10 175.02 1u42 s ASP 297 N -0.97 6.52 0.09 1.64 2.15 -1.26 -4.77 116.67 120.08 1u42 s ASP 297 Ca 0.46 0.35 -0.27 0.00 0.43 0.00 0.00 52.55 53.52 1u42 s ASP 297 Cb -0.31 -2.37 0.08 0.00 -0.30 0.00 0.00 42.92 40.03 1u42 s ASP 297 CO 0.39 -0.64 1.01 0.72 -0.17 0.00 0.00 175.17 176.49 1u42 s PHE 298 N 2.89 -0.15 0.13 -5.34 -0.71 -1.26 -5.08 117.98 108.46 1u42 s PHE 298 Ca 0.28 -0.09 0.04 0.00 -1.04 0.00 0.00 56.93 56.13 1u42 s PHE 298 Cb -0.14 0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 42.23 1u42 s PHE 298 CO 0.15 -0.67 -0.10 0.45 -1.34 0.00 0.00 175.22 173.70 1u42 s SER 299 N -2.86 1.71 0.61 1.98 0.15 -1.26 -5.03 113.70 109.00 1u42 s SER 299 Ca 0.11 -0.94 0.27 0.00 0.70 0.00 0.00 55.95 56.10 1u42 s SER 299 Cb -0.00 -0.01 1.00 0.00 -1.71 0.00 0.00 66.02 65.30 1u42 s SER 299 CO -0.01 -0.29 1.38 -0.65 1.20 0.00 0.00 173.24 174.87 1u42 h PRO 300 N 3.08 0.00 -0.00 5.44 0.11 -1.95 1.78 132.00 140.45 1u42 h PRO 300 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1u42 h PRO 300 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1u42 h PRO 300 CO 0.59 0.00 -0.36 0.25 -0.21 0.00 0.00 178.00 178.27 1u42 n THR 301 N -3.31 0.00 1.16 -1.15 -2.24 -1.26 -3.42 114.28 104.07 1u42 n THR 301 Ca 0.22 -0.01 0.13 0.00 -2.27 0.00 0.00 64.05 62.11 1u42 n THR 301 Cb 1.43 0.09 0.39 0.00 -2.10 0.00 0.00 70.33 70.14 1u42 n THR 301 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1u42 n ASP 302 N -1.41 0.67 -4.15 3.42 10.43 0.60 -4.75 116.55 121.36 1u42 n ASP 302 Ca 0.07 -0.50 -0.37 0.00 2.57 0.00 0.00 54.79 56.56 1u42 n ASP 302 Cb 0.33 0.10 -0.12 0.00 1.84 0.00 0.00 41.12 43.28 1u42 n ASP 302 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1u42 s VAL 303 N -2.72 3.39 0.06 2.53 1.01 -1.22 -4.98 120.40 118.47 1u42 s VAL 303 Ca 0.19 -1.89 0.07 0.00 0.00 0.00 0.00 61.98 60.35 1u42 s VAL 303 Cb 0.19 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 1u42 s VAL 303 CO 0.58 -0.60 -0.19 -1.00 0.00 0.00 0.00 175.10 173.89 1u42 s HIS 304 N 1.19 1.63 0.23 5.22 0.09 -1.26 -4.91 115.29 117.49 1u42 s HIS 304 Ca 0.06 -0.39 -0.30 0.00 -0.00 0.00 0.00 55.06 54.43 1u42 s HIS 304 Cb -0.23 -0.94 -0.09 0.00 -0.00 0.00 0.00 32.58 31.32 1u42 s HIS 304 CO -0.03 0.11 0.98 0.50 -0.00 0.00 0.00 174.74 176.30 1u42 s ARG 305 N -1.42 4.79 0.37 1.40 3.52 -1.26 -5.03 118.95 121.32 1u42 s ARG 305 Ca 0.05 1.55 -0.14 0.00 -0.13 0.00 0.00 55.73 57.06 1u42 s ARG 305 Cb -0.09 -3.28 0.04 0.00 -1.56 0.00 0.00 34.95 30.07 1u42 s ARG 305 CO 0.02 0.40 0.73 -0.65 -0.81 0.00 0.00 175.30 175.00 1u42 s GLN 306 N -1.03 2.16 0.04 5.12 -0.21 -1.26 -5.17 119.66 119.31 1u42 s GLN 306 Ca 0.43 -1.47 -0.00 0.00 0.02 0.00 0.00 55.36 54.34 1u42 s GLN 306 Cb -0.27 0.59 -0.04 0.00 1.00 0.00 0.00 33.01 34.30 1u42 s GLN 306 CO 0.33 -0.99 0.18 -0.06 -2.12 0.00 0.00 175.29 172.63 1u42 s PHE 307 N -2.53 3.48 -0.08 0.91 0.40 -1.26 -5.10 117.98 113.80 1u42 s PHE 307 Ca 0.18 0.26 0.02 0.00 -0.60 0.00 0.00 56.93 56.79 1u42 s PHE 307 Cb -0.04 -1.76 0.01 0.00 0.51 0.00 0.00 43.02 41.74 1u42 s PHE 307 CO 0.13 0.60 -0.12 0.00 0.70 0.00 0.00 175.22 176.52 1u42 s ALA 308 N -1.42 1.34 -0.24 5.36 0.00 -1.26 -5.11 121.76 120.43 1u42 s ALA 308 Ca 0.31 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.80 1u42 s ALA 308 Cb -0.13 -0.66 0.06 0.00 0.00 0.00 0.00 23.12 22.39 1u42 s ALA 308 CO 0.24 0.01 -0.07 0.42 0.00 0.00 0.00 175.76 176.36 1u42 s ILE 309 N 0.87 1.72 -0.32 0.00 1.01 -1.26 -5.07 121.20 118.14 1u42 s ILE 309 Ca -0.11 -1.34 -0.17 0.00 0.00 0.00 0.00 60.65 59.04 1u42 s ILE 309 Cb -0.15 -1.93 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 1u42 s ILE 309 CO 0.01 -0.07 0.47 -0.04 0.00 0.00 0.00 174.94 175.31 1u42 s MET 310 N 1.31 3.73 0.27 2.79 -1.94 -1.26 -5.03 119.30 119.18 1u42 s MET 310 Ca -0.07 -0.10 0.02 0.00 -1.71 0.00 0.00 55.69 53.83 1u42 s MET 310 Cb -0.19 -3.76 -0.04 0.00 2.01 0.00 0.00 34.83 32.84 1u42 s MET 310 CO -0.06 -0.53 0.14 -0.59 -0.01 0.00 0.00 175.02 173.97 1u42 s PHE 311 N 2.28 1.51 -0.09 -0.03 -0.71 -1.26 -5.16 117.98 114.53 1u42 s PHE 311 Ca 0.17 -1.31 0.02 0.00 -1.04 0.00 0.00 56.93 54.77 1u42 s PHE 311 Cb -0.16 -0.82 -0.02 0.00 -1.21 0.00 0.00 43.02 40.81 1u42 s PHE 311 CO 0.12 -0.48 -0.15 0.15 -1.34 0.00 0.00 175.22 173.52 1u42 s LYS 312 N -3.94 2.93 0.42 1.99 1.02 -1.26 -5.10 119.74 115.80 1u42 s LYS 312 Ca 0.37 -0.71 -0.26 0.00 0.02 0.00 0.00 55.97 55.39 1u42 s LYS 312 Cb 0.06 -2.48 -0.09 0.00 -0.52 0.00 0.00 37.83 34.80 1u42 s LYS 312 CO 0.16 0.40 1.37 0.95 -0.92 0.00 0.00 175.35 177.31 1u42 s THR 313 N -0.16 2.36 0.77 2.17 -4.23 -1.26 -5.02 115.64 110.28 1u42 s THR 313 Ca -0.01 0.33 -0.12 0.00 -1.18 0.00 0.00 61.69 60.72 1u42 s THR 313 Cb -0.13 -3.20 0.05 0.00 1.34 0.00 0.00 72.50 70.56 1u42 s THR 313 CO 0.03 0.05 1.10 -2.16 -0.54 0.00 0.00 174.62 173.11 1u42 s PRO 314 N -2.28 2.31 -0.13 3.99 0.04 -1.26 -5.03 135.00 132.64 1u42 s PRO 314 Ca 0.58 0.55 -0.17 0.00 0.04 0.00 0.00 61.00 62.00 1u42 s PRO 314 Cb -0.41 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 1u42 s PRO 314 CO 0.53 -1.44 0.43 0.21 0.04 0.00 0.00 177.00 176.78 1u42 s LYS 315 N -5.24 4.31 1.05 4.56 2.20 -1.26 -5.06 119.74 120.30 1u42 s LYS 315 Ca 0.60 0.36 -0.16 0.00 -0.36 0.00 0.00 55.97 56.41 1u42 s LYS 315 Cb -0.13 -3.44 0.08 0.00 -1.51 0.00 0.00 37.83 32.83 1u42 s LYS 315 CO 0.53 0.16 0.20 0.98 -0.36 0.00 0.00 175.35 176.86 1u42 n TYR 316 N 3.71 -1.43 0.26 4.03 9.36 -1.26 -4.94 117.16 126.89 1u42 n TYR 316 Ca -0.08 0.17 -0.13 0.00 3.32 0.00 0.00 57.90 61.18 1u42 n TYR 316 Cb 0.52 -1.66 -0.07 0.00 -0.63 0.00 0.00 39.34 37.50 1u42 n TYR 316 CO 0.00 0.00 0.00 1.57 0.22 0.00 0.00 176.86 178.65 1u42 h LYS 317 N -1.86 -0.68 -5.68 2.98 2.10 -2.05 -3.39 116.57 107.98 1u42 h LYS 317 Ca -0.49 0.05 -0.61 0.00 -2.00 0.00 0.00 60.65 57.59 1u42 h LYS 317 Cb 1.33 0.15 -0.13 0.00 -0.90 0.00 0.00 32.23 32.68 1u42 h LYS 317 CO 0.37 -0.40 0.86 0.34 -2.00 0.00 0.00 179.45 178.62 1u42 s ASP 318 N -4.75 6.30 0.44 7.07 -1.08 -1.26 -4.87 116.67 118.52 1u42 s ASP 318 Ca -0.13 -1.12 0.12 0.00 -0.52 0.00 0.00 52.55 50.90 1u42 s ASP 318 Cb 0.01 -2.47 0.97 0.00 -1.46 0.00 0.00 42.92 39.98 1u42 s ASP 318 CO 0.41 -1.48 2.03 0.58 0.52 0.00 0.00 175.17 177.23 1u42 h VAL 319 N 6.08 1.10 -0.61 1.11 2.07 -1.98 -3.29 116.25 120.73 1u42 h VAL 319 Ca -0.14 -0.40 -0.39 0.00 0.82 0.00 0.00 66.70 66.59 1u42 h VAL 319 Cb 1.05 1.01 -0.18 0.00 -1.52 0.00 0.00 31.29 31.65 1u42 h VAL 319 CO 1.23 0.13 0.51 0.59 0.02 0.00 0.00 177.57 180.05 1u42 n ASN 320 N -4.40 5.99 -4.83 0.57 3.02 -1.26 -4.81 115.26 109.54 1u42 n ASN 320 Ca -0.01 -3.19 -0.33 0.00 -0.03 0.00 0.00 54.58 51.02 1u42 n ASN 320 Cb 0.17 -0.96 -0.06 0.00 -0.61 0.00 0.00 39.78 38.32 1u42 n ASN 320 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1u42 s ILE 321 N -2.73 4.46 -0.89 2.41 -4.36 -1.24 -4.95 121.20 113.89 1u42 s ILE 321 Ca 0.39 1.36 0.09 0.00 -0.26 0.00 0.00 60.65 62.22 1u42 s ILE 321 Cb 0.31 -3.62 0.18 0.00 1.25 0.00 0.00 42.46 40.58 1u42 s ILE 321 CO 0.01 -0.36 1.05 0.35 0.24 0.00 0.00 174.94 176.23 1u42 n THR 322 N -0.76 0.63 -3.86 8.37 -2.24 -1.26 -4.42 114.28 110.74 1u42 n THR 322 Ca 0.06 -0.81 -0.11 0.00 -2.27 0.00 0.00 64.05 60.92 1u42 n THR 322 Cb 0.54 0.76 -0.11 0.00 -2.10 0.00 0.00 70.33 69.42 1u42 n THR 322 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1u42 s LYS 323 N -0.91 0.35 0.20 -0.78 3.01 -1.26 -4.90 119.74 115.46 1u42 s LYS 323 Ca 0.16 -0.19 -0.32 0.00 -1.01 0.00 0.00 55.97 54.60 1u42 s LYS 323 Cb 0.09 0.15 -0.14 0.00 -1.01 0.00 0.00 37.83 36.92 1u42 s LYS 323 CO 0.12 -0.07 1.45 -2.30 0.51 0.00 0.00 175.35 175.06 1u42 n PRO 324 N 2.05 2.01 -3.86 -1.68 -0.02 -1.26 -4.68 135.00 127.56 1u42 n PRO 324 Ca -0.19 0.72 -0.36 0.00 -2.02 0.00 0.00 63.50 61.65 1u42 n PRO 324 Cb 0.57 -2.41 -0.14 0.00 -0.02 0.00 0.00 33.50 31.50 1u42 n PRO 324 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u42 s ALA 325 N 0.28 2.92 -0.15 3.55 0.00 -0.20 -4.96 121.76 123.21 1u42 s ALA 325 Ca 0.73 -1.18 -0.18 0.00 0.00 0.00 0.00 51.96 51.33 1u42 s ALA 325 Cb -0.68 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 1u42 s ALA 325 CO 0.46 -0.49 0.46 0.45 0.00 0.00 0.00 175.76 176.64 1u42 s SER 326 N 1.51 6.60 0.18 0.00 0.15 -1.26 -1.49 113.70 119.40 1u42 s SER 326 Ca 0.06 0.72 0.04 0.00 0.70 0.00 0.00 55.95 57.46 1u42 s SER 326 Cb -0.15 -2.27 -0.01 0.00 -1.71 0.00 0.00 66.02 61.88 1u42 s SER 326 CO -0.01 -0.05 0.14 1.33 1.20 0.00 0.00 173.24 175.85 1u42 n VAL 327 N 3.99 0.00 -4.24 4.45 0.24 -0.23 -4.99 118.33 117.55 1u42 n VAL 327 Ca -0.07 -1.29 -0.29 0.00 -2.04 0.00 0.00 64.34 60.65 1u42 n VAL 327 Cb 0.51 0.62 -0.10 0.00 -1.47 0.00 0.00 33.84 33.41 1u42 n VAL 327 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1u42 s PHE 328 N -2.68 2.72 -0.05 6.34 0.08 -1.26 -0.25 117.98 122.88 1u42 s PHE 328 Ca 0.20 -0.17 0.01 0.00 0.12 0.00 0.00 56.93 57.09 1u42 s PHE 328 Cb 0.01 -1.40 0.02 0.00 -0.57 0.00 0.00 43.02 41.08 1u42 s PHE 328 CO 0.14 0.44 -0.06 0.54 -0.10 0.00 0.00 175.22 176.18 1u42 s VAL 329 N -1.31 0.69 0.20 -0.44 0.11 0.54 -4.90 120.40 115.28 1u42 s VAL 329 Ca 0.22 -0.20 -0.00 0.00 -2.93 0.00 0.00 61.98 59.07 1u42 s VAL 329 Cb -0.11 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 34.01 1u42 s VAL 329 CO 0.14 0.26 0.09 0.00 -3.33 0.00 0.00 175.10 172.26 1u42 s GLN 330 N 0.92 1.18 0.11 1.54 -2.07 -1.26 -0.79 119.66 119.29 1u42 s GLN 330 Ca -0.11 -1.61 -0.03 0.00 -1.82 0.00 0.00 55.36 51.79 1u42 s GLN 330 Cb -0.15 0.08 -0.05 0.00 -1.09 0.00 0.00 33.01 31.81 1u42 s GLN 330 CO 0.00 -0.31 0.32 -0.51 -1.32 0.00 0.00 175.29 173.47 1u42 s LEU 331 N -3.17 4.30 -0.12 2.60 1.43 -1.26 -4.94 118.68 117.51 1u42 s LEU 331 Ca 0.34 0.47 -0.06 0.00 -1.03 0.00 0.00 54.13 53.84 1u42 s LEU 331 Cb 0.07 -3.18 0.05 0.00 0.03 0.00 0.00 46.19 43.16 1u42 s LEU 331 CO 0.09 0.09 0.28 -0.60 0.23 0.00 0.00 176.35 176.45 1u42 s ARG 332 N -2.62 0.25 -0.10 1.70 3.52 -1.26 -2.24 118.95 118.20 1u42 s ARG 332 Ca 0.39 0.58 -0.23 0.00 -0.13 0.00 0.00 55.73 56.34 1u42 s ARG 332 Cb -0.12 -0.10 -0.03 0.00 -1.56 0.00 0.00 34.95 33.14 1u42 s ARG 332 CO 0.26 -0.16 0.71 0.50 -0.81 0.00 0.00 175.30 175.80 1u42 s ARG 333 N 1.27 4.39 0.34 5.12 3.52 -0.73 -4.94 118.95 127.92 1u42 s ARG 333 Ca -0.09 0.86 0.03 0.00 -0.13 0.00 0.00 55.73 56.39 1u42 s ARG 333 Cb -0.10 -3.48 0.60 0.00 -1.56 0.00 0.00 34.95 30.41 1u42 s ARG 333 CO -0.09 -0.03 1.91 0.87 -0.81 0.00 0.00 175.30 177.15 1u42 h LYS 334 N 6.94 0.65 -0.02 5.12 1.57 -1.96 0.56 116.57 129.43 1u42 h LYS 334 Ca -0.38 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 1u42 h LYS 334 Cb 1.18 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 1u42 h LYS 334 CO 0.77 0.57 -0.01 0.66 -0.57 0.00 0.00 179.45 180.87 1u42 h SER 335 N 0.64 0.05 -0.08 0.86 4.64 -1.99 -3.36 113.55 114.32 1u42 h SER 335 Ca 0.15 -0.39 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1u42 h SER 335 Cb 0.19 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1u42 h SER 335 CO -0.01 0.43 0.00 -0.90 -0.87 0.00 0.00 176.83 175.48 1u42 n ASP 336 N -4.87 2.02 -2.73 4.97 5.68 -1.24 -4.99 116.55 115.40 1u42 n ASP 336 Ca -0.08 -1.78 -0.17 0.00 -0.50 0.00 0.00 54.79 52.26 1u42 n ASP 336 Cb 0.22 -0.05 -0.00 0.00 -1.14 0.00 0.00 41.12 40.15 1u42 n ASP 336 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1u42 n LEU 337 N -0.11 -1.55 -4.68 -2.12 4.77 0.19 -4.95 117.00 108.56 1u42 n LEU 337 Ca 0.03 -0.03 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 1u42 n LEU 337 Cb 0.25 -2.35 0.16 0.00 -2.33 0.00 0.00 43.42 39.14 1u42 n LEU 337 CO 0.02 -0.02 0.65 -1.61 -1.33 0.00 0.00 177.39 175.09 1u42 s GLU 338 N -5.35 0.91 0.32 3.23 0.41 -1.23 -4.71 118.70 112.28 1u42 s GLU 338 Ca 0.13 0.91 0.06 0.00 -0.41 0.00 0.00 54.97 55.66 1u42 s GLU 338 Cb -0.07 -1.76 -0.02 0.00 -1.78 0.00 0.00 34.13 30.50 1u42 s GLU 338 CO 0.16 -2.51 0.23 0.25 -0.49 0.00 0.00 175.26 172.90 1u42 n THR 339 N -4.08 0.00 -4.61 3.63 -2.24 -1.26 -1.77 114.28 103.95 1u42 n THR 339 Ca 0.07 -2.22 -0.28 0.00 -2.27 0.00 0.00 64.05 59.35 1u42 n THR 339 Cb 0.55 1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 69.70 1u42 n THR 339 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1u42 s SER 340 N -3.18 3.65 0.26 3.42 1.04 -0.95 -4.94 113.70 113.01 1u42 s SER 340 Ca 0.32 -1.42 -0.30 0.00 0.48 0.00 0.00 55.95 55.03 1u42 s SER 340 Cb 0.02 -0.19 -0.11 0.00 0.10 0.00 0.00 66.02 65.83 1u42 s SER 340 CO 0.23 -0.55 1.54 -1.61 0.98 0.00 0.00 173.24 173.83 1u42 s GLU 341 N -3.76 4.18 0.94 4.02 0.41 -1.26 -4.64 118.70 118.59 1u42 s GLU 341 Ca 0.31 2.46 -0.12 0.00 -0.41 0.00 0.00 54.97 57.21 1u42 s GLU 341 Cb 0.08 -3.07 0.15 0.00 -1.78 0.00 0.00 34.13 29.52 1u42 s GLU 341 CO 0.15 -0.55 1.09 -1.25 -0.49 0.00 0.00 175.26 174.21 1u42 s PRO 342 N -0.29 0.89 0.03 0.39 0.04 -1.26 -4.75 135.00 130.05 1u42 s PRO 342 Ca 0.63 0.91 0.01 0.00 0.04 0.00 0.00 61.00 62.59 1u42 s PRO 342 Cb -0.45 -1.76 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 1u42 s PRO 342 CO 0.44 -2.52 -0.05 0.15 0.04 0.00 0.00 177.00 175.06 1u42 s LYS 343 N -4.83 0.41 0.25 4.56 1.02 0.03 -4.95 119.74 116.24 1u42 s LYS 343 Ca 0.65 -0.59 -0.30 0.00 0.02 0.00 0.00 55.97 55.75 1u42 s LYS 343 Cb -0.20 -0.16 -0.09 0.00 -0.52 0.00 0.00 37.83 36.86 1u42 s LYS 343 CO 0.58 0.02 1.05 -2.14 -0.92 0.00 0.00 175.35 173.94 1u42 s PRO 344 N -1.26 4.70 -0.07 -1.68 0.02 -1.26 -0.34 135.00 135.12 1u42 s PRO 344 Ca -0.10 1.69 -0.03 0.00 0.02 0.00 0.00 61.00 62.58 1u42 s PRO 344 Cb -0.08 -3.23 0.04 0.00 0.02 0.00 0.00 34.50 31.24 1u42 s PRO 344 CO -0.00 0.29 0.15 0.12 -0.33 0.00 0.00 177.00 177.23 1u42 s PHE 345 N -1.01 -0.17 -0.24 6.54 5.36 0.66 -4.87 117.98 124.25 1u42 s PHE 345 Ca 0.44 0.53 -0.09 0.00 -0.96 0.00 0.00 56.93 56.85 1u42 s PHE 345 Cb -0.30 -0.12 -0.04 0.00 -0.34 0.00 0.00 43.02 42.22 1u42 s PHE 345 CO 0.37 -0.19 0.11 -1.17 -1.46 0.00 0.00 175.22 172.87 1u42 s LEU 346 N 1.45 3.75 -0.02 6.12 2.96 -1.26 -1.07 118.68 130.62 1u42 s LEU 346 Ca -0.06 -0.05 -0.12 0.00 -0.22 0.00 0.00 54.13 53.68 1u42 s LEU 346 Cb -0.12 -2.00 -0.05 0.00 0.50 0.00 0.00 46.19 44.52 1u42 s LEU 346 CO -0.06 0.03 0.35 -0.31 -1.32 0.00 0.00 176.35 175.04 1u42 s TYR 347 N 1.25 3.68 0.18 5.38 2.02 -0.55 -4.96 117.35 124.35 1u42 s TYR 347 Ca 0.06 0.86 0.08 0.00 -0.37 0.00 0.00 57.07 57.70 1u42 s TYR 347 Cb -0.14 -2.19 -0.04 0.00 -0.40 0.00 0.00 41.96 39.18 1u42 s TYR 347 CO 0.05 0.65 -0.16 1.52 -1.57 0.00 0.00 175.55 176.04 1u42 s TYR 348 N -1.11 1.71 0.49 2.71 -0.85 -1.26 -1.03 117.35 118.01 1u42 s TYR 348 Ca 0.23 -0.53 -0.21 0.00 -0.52 0.00 0.00 57.07 56.04 1u42 s TYR 348 Cb -0.15 -0.83 -0.07 0.00 0.38 0.00 0.00 41.96 41.29 1u42 s TYR 348 CO 0.12 0.32 1.11 -2.14 -1.52 0.00 0.00 175.55 173.44 1u42 s PRO 349 N -3.21 3.65 0.00 -3.49 0.02 -1.26 -5.01 135.00 125.70 1u42 s PRO 349 Ca 0.18 1.59 0.13 0.00 0.02 0.00 0.00 61.00 62.92 1u42 s PRO 349 Cb -0.03 -2.19 0.77 0.00 0.02 0.00 0.00 34.50 33.06 1u42 s PRO 349 CO 0.06 -0.60 1.19 -0.85 -0.33 0.00 0.00 177.00 176.48