#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wu1 s ARG 302 N 0.00 3.04 -0.09 3.17 0.52 -0.59 -5.03 118.95 119.98 2wu1 s ARG 302 Ca 0.00 -0.48 0.01 0.00 -0.52 0.00 0.00 55.73 54.73 2wu1 s ARG 302 Cb 0.00 -2.85 0.02 0.00 0.52 0.00 0.00 34.95 32.65 2wu1 s ARG 302 CO 0.00 0.65 -0.08 -1.17 0.02 0.00 0.00 175.30 174.72 2wu1 s LEU 303 N -1.65 1.31 -0.47 2.53 0.20 -1.26 -0.83 118.68 118.50 2wu1 s LEU 303 Ca 0.22 -0.27 -0.13 0.00 0.69 0.00 0.00 54.13 54.64 2wu1 s LEU 303 Cb -0.12 -0.77 0.09 0.00 -0.43 0.00 0.00 46.19 44.96 2wu1 s LEU 303 CO 0.13 -0.07 0.37 -0.63 -0.29 0.00 0.00 176.35 175.85 2wu1 s ILE 304 N 1.31 4.85 -0.61 6.68 -1.09 0.13 -4.84 121.20 127.64 2wu1 s ILE 304 Ca -0.03 -1.28 -0.22 0.00 -2.23 0.00 0.00 60.65 56.89 2wu1 s ILE 304 Cb -0.14 -3.97 0.07 0.00 -1.58 0.00 0.00 42.46 36.84 2wu1 s ILE 304 CO -0.03 -0.62 0.88 -2.16 -1.23 0.00 0.00 174.94 171.77 2wu1 s PRO 305 N 1.55 3.15 0.54 2.79 0.05 -1.26 -1.23 135.00 140.58 2wu1 s PRO 305 Ca 0.04 -0.79 0.05 0.00 0.05 0.00 0.00 61.00 60.35 2wu1 s PRO 305 Cb -0.25 -4.18 0.03 0.00 0.05 0.00 0.00 34.50 30.15 2wu1 s PRO 305 CO 0.04 -1.63 0.36 -0.51 0.05 0.00 0.00 177.00 175.31 2wu1 s LEU 306 N 3.65 2.67 -0.23 -3.56 1.43 0.82 -5.00 118.68 118.47 2wu1 s LEU 306 Ca 0.21 -1.28 -0.11 0.00 -1.03 0.00 0.00 54.13 51.92 2wu1 s LEU 306 Cb -0.17 -1.16 -0.18 0.00 0.03 0.00 0.00 46.19 44.72 2wu1 s LEU 306 CO 0.12 -1.06 -0.05 0.41 0.23 0.00 0.00 176.35 175.99 2wu1 n THR 307 N -1.70 1.57 -4.40 5.49 -1.04 -1.26 -1.78 114.28 111.16 2wu1 n THR 307 Ca -0.03 -0.39 -0.28 0.00 -2.04 0.00 0.00 64.05 61.30 2wu1 n THR 307 Cb 0.65 -1.79 -0.13 0.00 -1.82 0.00 0.00 70.33 67.24 2wu1 n THR 307 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2wu1 s THR 308 N -2.48 2.28 0.40 12.58 2.01 -1.26 -1.86 115.64 127.30 2wu1 s THR 308 Ca -0.32 -1.83 0.11 0.00 0.31 0.00 0.00 61.69 59.96 2wu1 s THR 308 Cb 0.10 -2.03 0.32 0.00 0.01 0.00 0.00 72.50 70.90 2wu1 s THR 308 CO 0.59 0.04 1.94 0.00 -0.69 0.00 0.00 174.62 176.50 2wu1 h ALA 309 N 3.71 1.92 -0.52 7.40 0.00 -1.95 -1.31 119.26 128.51 2wu1 h ALA 309 Ca -0.50 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 2wu1 h ALA 309 Cb 1.18 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2wu1 h ALA 309 CO 0.41 -0.08 -0.07 0.93 0.00 0.00 0.00 179.25 180.44 2wu1 h GLU 310 N 0.56 0.93 -0.23 0.00 3.07 -1.96 -1.57 114.58 115.39 2wu1 h GLU 310 Ca 0.34 -0.31 -0.13 0.00 -0.50 0.00 0.00 59.36 58.75 2wu1 h GLU 310 Cb 0.57 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 2wu1 h GLU 310 CO -0.12 0.97 -0.41 1.96 -1.40 0.00 0.00 179.01 180.01 2wu1 h GLN 311 N 0.84 0.55 0.31 2.33 4.20 -1.78 -2.19 115.11 119.38 2wu1 h GLN 311 Ca 0.14 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 2wu1 h GLN 311 Cb 0.60 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.39 2wu1 h GLN 311 CO 0.04 0.87 -0.15 0.28 -0.67 0.00 0.00 178.83 179.20 2wu1 h VAL 312 N 0.45 0.71 -0.50 -0.54 2.07 -1.06 0.81 116.25 118.19 2wu1 h VAL 312 Ca 0.04 -0.07 0.09 0.00 0.82 0.00 0.00 66.70 67.58 2wu1 h VAL 312 Cb 0.91 0.74 -0.08 0.00 -1.52 0.00 0.00 31.29 31.35 2wu1 h VAL 312 CO 0.08 0.01 0.06 1.23 0.02 0.00 0.00 177.57 178.97 2wu1 h GLY 313 N -0.45 0.58 0.96 2.17 0.00 -1.30 0.05 103.07 105.08 2wu1 h GLY 313 Ca -0.04 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 2wu1 h GLY 313 CO 0.07 -0.10 0.20 0.50 0.00 0.00 0.00 176.54 177.21 2wu1 h LYS 314 N 0.18 0.67 0.00 4.80 1.57 -1.11 -0.35 116.57 122.33 2wu1 h LYS 314 Ca 0.26 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2wu1 h LYS 314 Cb 0.37 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 2wu1 h LYS 314 CO -0.37 0.58 -0.01 2.35 -0.57 0.00 0.00 179.45 181.43 2wu1 h TRP 315 N 0.59 -0.03 -0.42 -1.35 7.01 -0.46 -1.49 115.95 119.81 2wu1 h TRP 315 Ca 0.15 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.13 2wu1 h TRP 315 Cb 0.15 0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.21 2wu1 h TRP 315 CO -0.00 -0.02 0.14 0.00 -2.79 0.00 0.00 178.44 175.77 2wu1 h ALA 316 N 0.97 0.54 -0.45 2.65 0.00 -0.84 -1.02 119.26 121.11 2wu1 h ALA 316 Ca 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2wu1 h ALA 316 Cb 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2wu1 h ALA 316 CO -0.01 0.18 0.21 0.00 0.00 0.00 0.00 179.25 179.62 2wu1 h ALA 317 N 0.99 0.59 -0.97 0.00 0.00 -1.03 -1.12 119.26 117.71 2wu1 h ALA 317 Ca 0.14 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.99 2wu1 h ALA 317 Cb 0.24 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 2wu1 h ALA 317 CO -0.01 0.16 0.63 -0.09 0.00 0.00 0.00 179.25 179.94 2wu1 h ARG 318 N 0.59 1.09 -0.31 0.00 2.43 -1.06 -0.92 114.38 116.20 2wu1 h ARG 318 Ca 0.16 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 2wu1 h ARG 318 Cb 0.14 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 2wu1 h ARG 318 CO -0.02 0.72 -0.08 1.25 -1.51 0.00 0.00 179.97 180.33 2wu1 h HIS 319 N 1.12 0.68 -0.10 2.20 2.76 -0.49 -0.82 115.15 120.50 2wu1 h HIS 319 Ca 0.42 -0.15 0.01 0.00 -2.20 0.00 0.00 60.37 58.46 2wu1 h HIS 319 Cb 0.20 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 2wu1 h HIS 319 CO -0.00 0.78 0.02 0.82 -1.30 0.00 0.00 177.93 178.25 2wu1 h ILE 320 N 0.37 0.96 -0.58 6.26 2.04 -0.98 -1.59 117.51 123.99 2wu1 h ILE 320 Ca 0.08 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 65.94 2wu1 h ILE 320 Cb 0.57 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 2wu1 h ILE 320 CO 0.03 0.01 0.35 0.58 0.00 0.00 0.00 178.15 179.12 2wu1 h VAL 321 N 0.06 1.06 -0.60 1.67 2.07 -1.06 -1.14 116.25 118.32 2wu1 h VAL 321 Ca 0.04 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 2wu1 h VAL 321 Cb 0.03 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 2wu1 h VAL 321 CO -0.05 0.13 0.21 0.78 0.02 0.00 0.00 177.57 178.65 2wu1 h ASN 322 N 0.69 0.82 -0.31 0.57 -0.26 -0.98 -0.71 115.58 115.39 2wu1 h ASN 322 Ca 0.24 -0.12 -0.05 0.00 -0.56 0.00 0.00 56.30 55.80 2wu1 h ASN 322 Cb 0.03 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.07 2wu1 h ASN 322 CO -0.10 0.76 -0.00 0.03 -1.06 0.00 0.00 177.43 177.05 2wu1 h ARG 323 N 0.87 0.56 -0.08 0.81 2.47 -0.83 -1.96 114.38 116.21 2wu1 h ARG 323 Ca 0.20 -0.18 -0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2wu1 h ARG 323 Cb 0.22 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.49 2wu1 h ARG 323 CO -0.01 0.70 0.03 0.82 0.56 0.00 0.00 179.97 182.07 2wu1 h ILE 324 N 0.36 1.14 -0.66 2.04 2.04 -0.96 -1.43 117.51 120.04 2wu1 h ILE 324 Ca 0.09 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.47 2wu1 h ILE 324 Cb 0.45 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 2wu1 h ILE 324 CO 0.02 0.12 0.20 0.78 0.00 0.00 0.00 178.15 179.27 2wu1 h ASN 325 N -0.02 0.96 -0.46 1.72 2.35 -1.15 -0.25 115.58 118.73 2wu1 h ASN 325 Ca 0.03 -0.21 -0.06 0.00 -0.55 0.00 0.00 56.30 55.50 2wu1 h ASN 325 Cb 0.17 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 2wu1 h ASN 325 CO -0.00 0.92 0.06 0.00 -1.65 0.00 0.00 177.43 176.76 2wu1 h ALA 326 N 1.08 1.13 -0.28 -0.83 0.00 -1.31 -2.69 119.26 116.36 2wu1 h ALA 326 Ca 0.21 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2wu1 h ALA 326 Cb 0.30 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2wu1 h ALA 326 CO -0.01 0.57 -0.31 0.35 0.00 0.00 0.00 179.25 179.85 2wu1 h PHE 327 N 0.79 0.68 -5.46 0.00 3.57 -0.64 -3.48 116.94 112.40 2wu1 h PHE 327 Ca 0.16 -0.17 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 2wu1 h PHE 327 Cb 0.39 -0.16 0.03 0.00 2.79 0.00 0.00 35.95 39.00 2wu1 h PHE 327 CO 0.02 0.83 -0.20 1.17 -2.23 0.00 0.00 178.31 177.90 2wu1 n LYS 328 N -4.08 -1.48 -1.88 1.11 4.81 -0.16 -4.95 118.16 111.53 2wu1 n LYS 328 Ca -0.01 1.35 -0.33 0.00 -0.87 0.00 0.00 58.31 58.45 2wu1 n LYS 328 Cb 0.46 -5.60 0.03 0.00 0.02 0.00 0.00 35.03 29.94 2wu1 n LYS 328 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2wu1 s PRO 329 N -3.36 3.00 0.30 1.64 0.04 -1.26 -5.04 135.00 130.32 2wu1 s PRO 329 Ca 0.08 1.34 0.06 0.00 0.04 0.00 0.00 61.00 62.52 2wu1 s PRO 329 Cb -0.01 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 2wu1 s PRO 329 CO 0.76 -1.08 0.25 0.95 0.04 0.00 0.00 177.00 177.91 2wu1 s THR 330 N -2.34 0.00 0.22 1.26 -4.23 -0.52 -4.91 115.64 105.12 2wu1 s THR 330 Ca 0.66 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 59.08 2wu1 s THR 330 Cb -0.19 -2.50 0.17 0.00 1.34 0.00 0.00 72.50 71.31 2wu1 s THR 330 CO 0.39 0.00 1.86 0.00 -0.54 0.00 0.00 174.62 176.33 2wu1 h ALA 331 N 2.24 0.99 -0.35 3.99 0.00 -1.95 -2.73 119.26 121.45 2wu1 h ALA 331 Ca -0.27 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 2wu1 h ALA 331 Cb 1.24 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2wu1 h ALA 331 CO 0.40 0.28 -0.27 -0.44 0.00 0.00 0.00 179.25 179.22 2wu1 h ASP 332 N 0.94 0.85 -3.38 0.00 3.32 -2.00 -3.40 116.42 112.75 2wu1 h ASP 332 Ca 0.30 -0.45 -0.61 0.00 0.02 0.00 0.00 57.03 56.30 2wu1 h ASP 332 Cb 0.01 -0.24 -0.40 0.00 0.22 0.00 0.00 39.33 38.92 2wu1 h ASP 332 CO -0.11 1.11 -0.74 0.00 -1.72 0.00 0.00 179.24 177.78 2wu1 s ARG 333 N -4.47 1.04 0.50 3.56 1.70 -1.05 -5.12 118.95 115.11 2wu1 s ARG 333 Ca -0.12 -1.48 -0.07 0.00 -0.47 0.00 0.00 55.73 53.59 2wu1 s ARG 333 Cb 0.10 -2.38 -0.04 0.00 -0.57 0.00 0.00 34.95 32.06 2wu1 s ARG 333 CO 0.84 -1.01 0.83 -1.25 -1.08 0.00 0.00 175.30 173.63 2wu1 s PRO 334 N 1.16 3.58 0.04 3.89 0.04 -1.11 -1.43 135.00 141.17 2wu1 s PRO 334 Ca 0.12 0.33 -0.26 0.00 0.04 0.00 0.00 61.00 61.22 2wu1 s PRO 334 Cb -0.19 -2.32 -0.05 0.00 0.04 0.00 0.00 34.50 31.97 2wu1 s PRO 334 CO -0.16 -0.25 0.82 0.12 0.04 0.00 0.00 177.00 177.57 2wu1 s PHE 335 N -2.78 3.72 -0.22 0.56 5.36 -0.87 -4.88 117.98 118.87 2wu1 s PHE 335 Ca 0.49 1.53 -0.04 0.00 -0.96 0.00 0.00 56.93 57.95 2wu1 s PHE 335 Cb -0.10 -2.89 -0.01 0.00 -0.34 0.00 0.00 43.02 39.67 2wu1 s PHE 335 CO 0.45 0.21 -0.03 0.08 -1.46 0.00 0.00 175.22 174.48 2wu1 s VAL 336 N 0.16 3.54 -0.13 3.12 1.01 -1.26 -0.13 120.40 126.71 2wu1 s VAL 336 Ca 0.41 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.98 2wu1 s VAL 336 Cb -0.21 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.56 2wu1 s VAL 336 CO 0.24 0.41 -0.20 -0.22 0.00 0.00 0.00 175.10 175.34 2wu1 s LEU 337 N 1.45 2.26 -0.03 3.92 0.20 0.17 -1.43 118.68 125.23 2wu1 s LEU 337 Ca 0.05 -0.53 -0.07 0.00 0.69 0.00 0.00 54.13 54.27 2wu1 s LEU 337 Cb -0.14 -1.48 -0.05 0.00 -0.43 0.00 0.00 46.19 44.09 2wu1 s LEU 337 CO -0.02 0.12 0.25 -0.83 -0.29 0.00 0.00 176.35 175.57 2wu1 s GLY 338 N 0.62 2.25 0.03 7.98 0.00 0.58 -1.30 107.32 117.48 2wu1 s GLY 338 Ca -0.11 -0.56 0.01 0.00 0.00 0.00 0.00 44.72 44.07 2wu1 s GLY 338 CO 0.03 -0.34 -0.06 1.08 0.00 0.00 0.00 173.10 173.81 2wu1 s LEU 339 N -1.50 2.24 0.44 0.66 1.43 -0.28 -0.90 118.68 120.77 2wu1 s LEU 339 Ca 0.24 -0.51 0.07 0.00 -1.03 0.00 0.00 54.13 52.90 2wu1 s LEU 339 Cb -0.13 -0.07 -0.02 0.00 0.03 0.00 0.00 46.19 45.99 2wu1 s LEU 339 CO 0.13 -0.22 0.27 -2.16 0.23 0.00 0.00 176.35 174.60 2wu1 s PRO 340 N -1.46 2.32 0.38 1.29 0.04 -1.23 -1.84 135.00 134.51 2wu1 s PRO 340 Ca -0.11 -1.81 0.02 0.00 0.04 0.00 0.00 61.00 59.14 2wu1 s PRO 340 Cb -0.10 -2.10 0.02 0.00 0.04 0.00 0.00 34.50 32.36 2wu1 s PRO 340 CO -0.00 -0.24 0.17 0.25 0.04 0.00 0.00 177.00 177.22 2wu1 n THR 341 N -1.43 0.00 0.00 1.26 -2.24 -1.26 -4.95 114.28 105.66 2wu1 n THR 341 Ca -0.00 -1.62 0.00 0.00 -2.27 0.00 0.00 64.05 60.16 2wu1 n THR 341 Cb 0.64 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 2wu1 n THR 341 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wu1 n GLY 342 N 0.44 -1.76 0.21 3.38 0.00 -1.26 -4.66 105.19 101.53 2wu1 n GLY 342 Ca -0.07 -2.22 -0.06 0.00 0.00 0.00 0.00 46.02 43.67 2wu1 n GLY 342 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wu1 h GLY 343 N 0.00 0.45 0.56 -0.02 0.00 -2.03 -3.36 103.07 98.68 2wu1 h GLY 343 Ca 0.00 -0.48 0.04 0.00 0.00 0.00 0.00 47.33 46.89 2wu1 h GLY 343 CO 0.00 0.43 -0.07 -0.84 0.00 0.00 0.00 176.54 176.06 2wu1 h THR 344 N 0.34 0.76 -0.11 4.70 2.02 -1.97 -2.29 112.91 116.35 2wu1 h THR 344 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 2wu1 h THR 344 Cb 0.95 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 2wu1 h THR 344 CO 0.08 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.16 2wu1 n PRO 345 N -5.22 1.27 -0.01 6.66 -0.04 -1.26 -4.33 135.00 132.08 2wu1 n PRO 345 Ca -0.02 -0.42 -0.10 0.00 -0.04 0.00 0.00 63.50 62.92 2wu1 n PRO 345 Cb 0.14 -1.13 -0.04 0.00 -0.04 0.00 0.00 33.50 32.43 2wu1 n PRO 345 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2wu1 h MET 346 N 0.71 0.02 0.00 0.54 2.86 -1.59 -0.37 114.93 117.10 2wu1 h MET 346 Ca 0.00 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2wu1 h MET 346 Cb 0.16 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 2wu1 h MET 346 CO 0.00 0.01 -0.06 1.79 1.06 0.00 0.00 176.91 179.71 2wu1 h THR 347 N 0.02 0.20 0.09 2.22 1.35 -1.81 -1.77 112.91 113.20 2wu1 h THR 347 Ca 0.06 -0.50 -0.24 0.00 -0.55 0.00 0.00 66.41 65.18 2wu1 h THR 347 Cb 0.08 1.41 0.02 0.00 -1.73 0.00 0.00 68.15 67.94 2wu1 h THR 347 CO -0.12 0.06 -1.00 0.74 -0.25 0.00 0.00 175.52 174.95 2wu1 h THR 348 N 0.00 1.36 -0.52 6.82 2.02 -1.46 -2.68 112.91 118.45 2wu1 h THR 348 Ca -0.00 -2.36 -0.04 0.00 0.77 0.00 0.00 66.41 64.78 2wu1 h THR 348 Cb 0.41 2.75 -0.02 0.00 -1.74 0.00 0.00 68.15 69.54 2wu1 h THR 348 CO 0.01 0.70 0.17 1.88 0.37 0.00 0.00 175.52 178.65 2wu1 h TYR 349 N 0.07 0.83 -0.16 3.16 0.05 -0.78 -0.48 116.97 119.67 2wu1 h TYR 349 Ca -0.15 -0.08 0.03 0.00 0.05 0.00 0.00 58.73 58.58 2wu1 h TYR 349 Cb 1.71 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 39.18 2wu1 h TYR 349 CO 0.14 0.71 -0.02 0.87 -1.05 0.00 0.00 178.16 178.81 2wu1 h LYS 350 N 0.71 0.03 -0.66 4.88 1.57 -1.39 -1.27 116.57 120.43 2wu1 h LYS 350 Ca 0.17 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 2wu1 h LYS 350 Cb 0.26 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 2wu1 h LYS 350 CO -0.01 0.02 0.35 0.00 -0.57 0.00 0.00 179.45 179.25 2wu1 h ALA 351 N 1.14 0.85 -0.71 3.86 0.00 -1.29 -2.27 119.26 120.85 2wu1 h ALA 351 Ca 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2wu1 h ALA 351 Cb 0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2wu1 h ALA 351 CO -0.14 0.38 0.42 -0.07 0.00 0.00 0.00 179.25 179.84 2wu1 h LEU 352 N 0.91 0.85 -0.66 0.00 3.38 -0.86 -1.32 115.31 117.61 2wu1 h LEU 352 Ca 0.23 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.15 2wu1 h LEU 352 Cb 0.06 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 2wu1 h LEU 352 CO -0.04 0.67 0.42 0.58 0.09 0.00 0.00 178.44 180.17 2wu1 h VAL 353 N 0.96 1.12 -0.45 1.22 2.07 -0.86 -0.96 116.25 119.37 2wu1 h VAL 353 Ca 0.25 -0.29 -0.13 0.00 0.82 0.00 0.00 66.70 67.35 2wu1 h VAL 353 Cb -0.02 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 2wu1 h VAL 353 CO -0.05 0.15 -0.23 -0.33 0.02 0.00 0.00 177.57 177.14 2wu1 h GLU 354 N 0.84 0.92 -0.84 1.57 4.39 -1.14 -0.66 114.58 119.66 2wu1 h GLU 354 Ca 0.25 -0.39 -0.02 0.00 0.34 0.00 0.00 59.36 59.55 2wu1 h GLU 354 Cb -0.03 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.54 2wu1 h GLU 354 CO -0.08 1.05 0.46 0.52 -1.16 0.00 0.00 179.01 179.80 2wu1 h MET 355 N 0.79 1.17 0.02 2.33 2.86 -0.97 -0.71 114.93 120.43 2wu1 h MET 355 Ca 0.10 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2wu1 h MET 355 Cb 0.79 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2wu1 h MET 355 CO 0.07 0.86 -0.01 1.25 1.06 0.00 0.00 176.91 180.13 2wu1 h HIS 356 N 1.18 -0.02 -0.50 -0.22 -0.00 -0.90 -0.40 115.15 114.30 2wu1 h HIS 356 Ca 0.30 -0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.69 2wu1 h HIS 356 Cb 0.03 0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 27.42 2wu1 h HIS 356 CO 0.01 0.23 0.33 0.87 -0.00 0.00 0.00 177.93 179.37 2wu1 h LYS 357 N -0.28 0.56 0.00 5.26 1.57 -0.89 0.15 116.57 122.95 2wu1 h LYS 357 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2wu1 h LYS 357 Cb 0.26 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2wu1 h LYS 357 CO 0.00 0.37 0.00 0.00 -0.57 0.00 0.00 179.45 179.25 2wu1 n ALA 358 N -2.48 2.16 -0.79 3.86 0.00 -0.29 -4.87 120.51 118.10 2wu1 n ALA 358 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2wu1 n ALA 358 Cb 0.13 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.24 2wu1 n ALA 358 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wu1 n GLY 359 N 0.42 0.55 0.14 0.00 0.00 0.53 -4.98 105.19 101.85 2wu1 n GLY 359 Ca 0.12 -0.53 0.12 0.00 0.00 0.00 0.00 46.02 45.73 2wu1 n GLY 359 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2wu1 h GLN 360 N 0.64 0.00 -3.43 1.61 4.20 -1.20 -3.47 115.11 113.45 2wu1 h GLN 360 Ca 0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 2wu1 h GLN 360 Cb 0.00 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 27.60 2wu1 h GLN 360 CO 0.00 0.00 -0.35 0.14 -0.67 0.00 0.00 178.83 177.95 2wu1 s VAL 361 N -3.32 0.09 0.02 -0.54 -7.23 -1.24 -4.98 120.40 103.21 2wu1 s VAL 361 Ca 0.02 -0.78 0.06 0.00 -1.81 0.00 0.00 61.98 59.48 2wu1 s VAL 361 Cb 0.08 -0.84 -0.02 0.00 0.56 0.00 0.00 36.38 36.16 2wu1 s VAL 361 CO 0.75 -0.43 -0.19 -0.55 -0.31 0.00 0.00 175.10 174.37 2wu1 s SER 362 N -1.93 2.30 -0.06 4.85 0.15 -1.26 -4.49 113.70 113.26 2wu1 s SER 362 Ca -0.07 -0.45 0.20 0.00 0.70 0.00 0.00 55.95 56.33 2wu1 s SER 362 Cb -0.02 -0.21 0.66 0.00 -1.71 0.00 0.00 66.02 64.74 2wu1 s SER 362 CO -0.02 0.17 1.57 0.49 1.20 0.00 0.00 173.24 176.65 2wu1 n PHE 363 N 2.13 1.19 -0.23 3.44 3.01 -1.26 -4.57 117.46 121.17 2wu1 n PHE 363 Ca -0.16 -0.56 0.14 0.00 1.01 0.00 0.00 57.45 57.88 2wu1 n PHE 363 Cb 0.53 -0.12 0.43 0.00 -0.01 0.00 0.00 39.48 40.32 2wu1 n PHE 363 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 2wu1 h LYS 364 N 4.03 0.55 -0.43 -1.08 1.63 -1.97 -2.06 116.57 117.25 2wu1 h LYS 364 Ca 0.00 -0.03 -0.32 0.00 -0.85 0.00 0.00 60.65 59.45 2wu1 h LYS 364 Cb 1.20 -0.12 -0.26 0.00 -0.60 0.00 0.00 32.23 32.45 2wu1 h LYS 364 CO 0.11 0.37 -0.70 0.72 -3.45 0.00 0.00 179.45 176.50 2wu1 n HIS 365 N -4.53 1.58 -4.30 1.91 8.25 -1.26 -4.70 115.22 112.17 2wu1 n HIS 365 Ca 0.16 -1.91 -0.34 0.00 -0.26 0.00 0.00 57.72 55.38 2wu1 n HIS 365 Cb 0.51 -0.30 -0.11 0.00 1.12 0.00 0.00 29.99 31.21 2wu1 n HIS 365 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2wu1 s VAL 366 N -3.98 4.21 -0.12 1.59 1.01 -0.77 -2.05 120.40 120.29 2wu1 s VAL 366 Ca 0.45 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 62.14 2wu1 s VAL 366 Cb 0.39 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 2wu1 s VAL 366 CO -0.01 0.51 0.01 -0.69 0.00 0.00 0.00 175.10 174.92 2wu1 s VAL 367 N 0.05 4.35 0.10 2.92 1.01 0.82 -4.84 120.40 124.81 2wu1 s VAL 367 Ca 0.02 -0.21 0.10 0.00 0.00 0.00 0.00 61.98 61.88 2wu1 s VAL 367 Cb -0.13 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 2wu1 s VAL 367 CO 0.02 0.56 -0.23 0.42 0.00 0.00 0.00 175.10 175.86 2wu1 s THR 368 N -0.39 2.47 -0.07 3.92 -4.23 -0.08 -0.66 115.64 116.61 2wu1 s THR 368 Ca 0.08 -1.53 0.02 0.00 -1.18 0.00 0.00 61.69 59.08 2wu1 s THR 368 Cb -0.12 -2.07 0.01 0.00 1.34 0.00 0.00 72.50 71.66 2wu1 s THR 368 CO 0.02 0.19 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.80 2wu1 s PHE 369 N -1.01 1.49 0.37 3.99 0.08 -0.42 -1.04 117.98 121.44 2wu1 s PHE 369 Ca 0.15 -0.56 -0.07 0.00 0.12 0.00 0.00 56.93 56.57 2wu1 s PHE 369 Cb -0.10 -1.09 -0.05 0.00 -0.57 0.00 0.00 43.02 41.20 2wu1 s PHE 369 CO 0.06 -0.29 0.68 -0.80 -0.10 0.00 0.00 175.22 174.76 2wu1 s ASN 370 N 0.71 6.43 0.11 1.36 -0.87 -0.78 -1.12 114.94 120.78 2wu1 s ASN 370 Ca -0.14 0.89 -0.16 0.00 -1.57 0.00 0.00 52.86 51.88 2wu1 s ASN 370 Cb -0.16 -2.22 -0.04 0.00 -0.02 0.00 0.00 41.25 38.81 2wu1 s ASN 370 CO 0.03 -0.35 1.54 0.24 -2.57 0.00 0.00 177.10 176.00 2wu1 h MET 371 N 1.19 0.64 -2.89 -0.60 2.86 -1.74 -3.44 114.93 110.95 2wu1 h MET 371 Ca -0.47 -0.22 0.05 0.00 -2.06 0.00 0.00 59.70 57.00 2wu1 h MET 371 Cb 1.19 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.78 2wu1 h MET 371 CO 0.64 0.77 0.32 0.16 1.06 0.00 0.00 176.91 179.85 2wu1 s ASP 372 N -6.17 -0.09 -0.16 1.22 1.47 -1.26 -0.70 116.67 110.98 2wu1 s ASP 372 Ca -0.13 -0.87 -0.29 0.00 1.18 0.00 0.00 52.55 52.45 2wu1 s ASP 372 Cb 0.09 0.74 0.10 0.00 -0.34 0.00 0.00 42.92 43.51 2wu1 s ASP 372 CO 0.78 -1.44 0.85 -0.70 0.68 0.00 0.00 175.17 175.34 2wu1 s GLU 373 N -2.86 0.78 0.37 2.11 2.56 -0.67 -4.76 118.70 116.22 2wu1 s GLU 373 Ca 0.15 0.39 -0.27 0.00 0.00 0.00 0.00 54.97 55.24 2wu1 s GLU 373 Cb -0.05 0.37 -0.09 0.00 2.00 0.00 0.00 34.13 36.36 2wu1 s GLU 373 CO 0.09 -0.20 1.28 0.71 -0.56 0.00 0.00 175.26 176.57 2wu1 s TYR 374 N -0.68 2.98 0.12 5.30 2.02 -1.26 -0.54 117.35 125.29 2wu1 s TYR 374 Ca -0.04 1.45 -0.24 0.00 -0.37 0.00 0.00 57.07 57.87 2wu1 s TYR 374 Cb -0.02 -3.62 -0.07 0.00 -0.40 0.00 0.00 41.96 37.85 2wu1 s TYR 374 CO 0.03 -1.82 0.72 0.08 -1.57 0.00 0.00 175.55 173.00 2wu1 s VAL 375 N -1.23 4.53 -0.62 0.71 1.01 -0.62 -4.19 120.40 119.99 2wu1 s VAL 375 Ca 0.53 1.57 0.00 0.00 0.00 0.00 0.00 61.98 64.08 2wu1 s VAL 375 Cb -0.37 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 31.93 2wu1 s VAL 375 CO 0.49 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.69 2wu1 n GLY 376 N 1.80 0.72 3.75 4.51 0.00 -0.63 -4.77 105.19 110.57 2wu1 n GLY 376 Ca -0.06 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 2wu1 n GLY 376 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wu1 s LEU 377 N -1.33 4.28 0.22 0.99 0.20 -1.26 -5.04 118.68 116.74 2wu1 s LEU 377 Ca 0.00 0.57 -0.32 0.00 0.69 0.00 0.00 54.13 55.07 2wu1 s LEU 377 Cb 0.00 -2.39 -0.13 0.00 -0.43 0.00 0.00 46.19 43.24 2wu1 s LEU 377 CO 0.00 0.14 1.55 -2.65 -0.29 0.00 0.00 176.35 175.10 2wu1 n PRO 378 N 3.29 2.35 -0.28 0.98 -0.02 -1.26 -4.80 135.00 135.25 2wu1 n PRO 378 Ca -0.12 0.84 0.07 0.00 -2.02 0.00 0.00 63.50 62.26 2wu1 n PRO 378 Cb 0.52 -2.59 0.29 0.00 -0.02 0.00 0.00 33.50 31.70 2wu1 n PRO 378 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2wu1 h LYS 379 N 5.28 0.88 -0.00 -0.52 3.64 -1.98 -1.51 116.57 122.35 2wu1 h LYS 379 Ca -0.45 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2wu1 h LYS 379 Cb 1.24 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2wu1 h LYS 379 CO 0.84 0.58 -0.13 0.39 -2.27 0.00 0.00 179.45 178.86 2wu1 n GLU 380 N -4.52 0.64 -1.61 1.90 -0.58 -1.26 -4.22 120.64 110.98 2wu1 n GLU 380 Ca 0.15 -0.23 -0.49 0.00 -0.42 0.00 0.00 57.16 56.18 2wu1 n GLU 380 Cb 0.29 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.62 2wu1 n GLU 380 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2wu1 n HIS 381 N -0.98 1.67 0.28 -0.32 -0.00 -0.57 -4.84 115.22 110.46 2wu1 n HIS 381 Ca 0.14 0.56 0.13 0.00 -0.00 0.00 0.00 57.72 58.55 2wu1 n HIS 381 Cb 0.29 -2.37 0.64 0.00 -0.00 0.00 0.00 29.99 28.55 2wu1 n HIS 381 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2wu1 h PRO 382 N 4.26 0.00 -0.02 1.57 0.13 -1.88 -2.09 132.00 133.98 2wu1 h PRO 382 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2wu1 h PRO 382 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2wu1 h PRO 382 CO 0.76 0.00 -0.40 -1.91 -0.23 0.00 0.00 178.00 176.22 2wu1 n GLU 383 N -2.43 1.40 -1.23 0.86 4.07 -1.26 -4.31 120.64 117.74 2wu1 n GLU 383 Ca -0.00 -1.16 -0.35 0.00 -0.06 0.00 0.00 57.16 55.59 2wu1 n GLU 383 Cb 0.13 -1.48 0.10 0.00 -0.06 0.00 0.00 31.44 30.14 2wu1 n GLU 383 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 2wu1 n SER 384 N 0.21 0.29 0.16 4.31 3.41 -0.79 -4.81 113.62 116.40 2wu1 n SER 384 Ca 0.10 0.61 0.03 0.00 -0.26 0.00 0.00 58.87 59.35 2wu1 n SER 384 Cb 0.49 -1.41 0.16 0.00 -0.26 0.00 0.00 64.21 63.19 2wu1 n SER 384 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 2wu1 h TYR 385 N -0.57 0.00 -0.10 7.33 0.05 -1.90 -1.36 116.97 120.43 2wu1 h TYR 385 Ca -0.47 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.35 2wu1 h TYR 385 Cb 1.32 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 39.02 2wu1 h TYR 385 CO 0.41 0.48 -0.11 -0.92 -1.05 0.00 0.00 178.16 176.97 2wu1 h TYR 386 N 0.00 -0.27 -0.34 4.88 5.03 -1.90 -2.04 116.97 122.32 2wu1 h TYR 386 Ca -0.00 0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.24 2wu1 h TYR 386 Cb 1.19 0.14 -0.01 0.00 1.55 0.00 0.00 36.73 39.60 2wu1 h TYR 386 CO 0.00 -0.17 -0.11 0.77 -1.32 0.00 0.00 178.16 177.33 2wu1 h SER 387 N -0.14 0.69 -0.32 -2.11 0.02 -1.64 -2.86 113.55 107.19 2wu1 h SER 387 Ca 0.07 -0.38 0.06 0.00 -0.84 0.00 0.00 61.79 60.71 2wu1 h SER 387 Cb 0.25 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.54 2wu1 h SER 387 CO -0.18 0.91 -0.09 0.15 -1.14 0.00 0.00 176.83 176.48 2wu1 h PHE 388 N 0.45 -0.19 -0.60 3.45 3.04 -1.21 -1.72 116.94 120.16 2wu1 h PHE 388 Ca 0.08 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 61.99 2wu1 h PHE 388 Cb 0.63 0.13 -0.02 0.00 2.56 0.00 0.00 35.95 39.25 2wu1 h PHE 388 CO 0.05 -0.15 0.10 0.52 -2.02 0.00 0.00 178.31 176.81 2wu1 h MET 389 N -0.01 1.00 0.10 1.11 2.86 -1.24 -0.24 114.93 118.51 2wu1 h MET 389 Ca 0.16 -0.27 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2wu1 h MET 389 Cb 0.25 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.79 2wu1 h MET 389 CO -0.34 0.94 -0.05 0.45 1.06 0.00 0.00 176.91 178.98 2wu1 h HIS 390 N 0.90 -0.12 -0.56 -0.22 3.86 -1.40 0.64 115.15 118.25 2wu1 h HIS 390 Ca 0.18 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.38 2wu1 h HIS 390 Cb 0.43 0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.91 2wu1 h HIS 390 CO 0.03 0.25 0.32 -0.09 0.86 0.00 0.00 177.93 179.30 2wu1 h ARG 391 N -0.52 0.76 0.00 2.45 2.43 -1.25 0.93 114.38 119.17 2wu1 h ARG 391 Ca -0.01 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2wu1 h ARG 391 Cb 0.43 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2wu1 h ARG 391 CO 0.02 0.55 -1.16 0.09 -1.51 0.00 0.00 179.97 177.96 2wu1 n ASN 392 N -4.41 0.58 0.09 -3.80 3.02 -0.11 -4.80 115.26 105.84 2wu1 n ASN 392 Ca 0.05 -0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 2wu1 n ASN 392 Cb 0.09 0.98 0.00 0.00 -0.61 0.00 0.00 39.78 40.24 2wu1 n ASN 392 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2wu1 n PHE 393 N -1.97 -1.95 -0.27 3.10 7.35 0.03 -4.74 117.46 119.02 2wu1 n PHE 393 Ca 0.01 0.40 0.08 0.00 -0.76 0.00 0.00 57.45 57.19 2wu1 n PHE 393 Cb 0.45 1.02 0.32 0.00 0.35 0.00 0.00 39.48 41.61 2wu1 n PHE 393 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 2wu1 h PHE 394 N 0.00 0.91 -0.10 -5.13 0.04 -1.02 -0.90 116.94 110.74 2wu1 h PHE 394 Ca 0.00 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.82 2wu1 h PHE 394 Cb 0.00 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 37.85 2wu1 h PHE 394 CO 0.00 0.40 0.20 -0.44 -0.60 0.00 0.00 178.31 177.87 2wu1 h ASP 395 N 0.82 0.00 -0.01 2.17 3.32 -1.04 -2.92 116.42 118.77 2wu1 h ASP 395 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 2wu1 h ASP 395 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 2wu1 h ASP 395 CO -0.18 0.00 -0.09 1.41 -1.72 0.00 0.00 179.24 178.66 2wu1 n HIS 396 N -3.37 0.00 -4.58 4.55 8.25 -0.35 -5.02 115.22 114.69 2wu1 n HIS 396 Ca -0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 2wu1 n HIS 396 Cb 0.30 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.31 2wu1 n HIS 396 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2wu1 s VAL 397 N -1.01 1.24 -0.55 1.59 -7.23 -1.10 -4.90 120.40 108.44 2wu1 s VAL 397 Ca 0.09 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.27 2wu1 s VAL 397 Cb 0.07 -2.59 0.54 0.00 0.56 0.00 0.00 36.38 34.96 2wu1 s VAL 397 CO 0.17 0.00 1.97 -0.90 -0.31 0.00 0.00 175.10 176.03 2wu1 n ASP 398 N -1.03 5.75 -4.70 4.85 5.75 -1.26 -4.94 116.55 120.97 2wu1 n ASP 398 Ca -0.08 -3.66 -0.41 0.00 -0.01 0.00 0.00 54.79 50.63 2wu1 n ASP 398 Cb 0.66 -0.91 -0.03 0.00 -1.03 0.00 0.00 41.12 39.81 2wu1 n ASP 398 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 2wu1 s ILE 399 N -3.96 4.90 0.45 2.12 2.07 -1.26 -3.78 121.20 121.74 2wu1 s ILE 399 Ca 0.59 1.85 -0.24 0.00 -1.41 0.00 0.00 60.65 61.44 2wu1 s ILE 399 Cb 0.48 -4.23 -0.07 0.00 0.13 0.00 0.00 42.46 38.77 2wu1 s ILE 399 CO 0.05 0.14 1.24 -2.84 -1.91 0.00 0.00 174.94 171.62 2wu1 s PRO 400 N 1.28 3.75 0.35 3.50 0.02 -1.26 -4.93 135.00 137.71 2wu1 s PRO 400 Ca 0.46 1.98 0.10 0.00 0.02 0.00 0.00 61.00 63.56 2wu1 s PRO 400 Cb -0.19 -2.52 0.84 0.00 0.02 0.00 0.00 34.50 32.65 2wu1 s PRO 400 CO 0.22 -0.62 1.82 0.00 -0.33 0.00 0.00 177.00 178.09 2wu1 h ALA 401 N 2.21 1.86 0.00 -1.55 0.00 -1.96 -0.84 119.26 118.97 2wu1 h ALA 401 Ca -0.50 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2wu1 h ALA 401 Cb 1.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2wu1 h ALA 401 CO 0.61 -0.17 0.00 -0.85 0.00 0.00 0.00 179.25 178.84 2wu1 n GLU 402 N -4.63 0.11 0.00 0.00 0.28 -1.26 -2.13 120.64 113.00 2wu1 n GLU 402 Ca 0.21 0.30 0.13 0.00 -0.16 0.00 0.00 57.16 57.64 2wu1 n GLU 402 Cb 0.58 -1.69 0.39 0.00 1.43 0.00 0.00 31.44 32.15 2wu1 n GLU 402 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2wu1 n ASN 403 N -1.88 1.33 -4.63 -1.84 4.13 -0.32 -4.88 115.26 107.17 2wu1 n ASN 403 Ca 0.03 -1.18 -0.38 0.00 1.68 0.00 0.00 54.58 54.74 2wu1 n ASN 403 Cb 0.23 0.10 -0.09 0.00 -1.54 0.00 0.00 39.78 38.48 2wu1 n ASN 403 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2wu1 s ILE 404 N -2.31 5.29 -0.17 2.41 1.01 -0.91 -0.90 121.20 125.63 2wu1 s ILE 404 Ca 0.29 0.34 0.01 0.00 0.00 0.00 0.00 60.65 61.28 2wu1 s ILE 404 Cb 0.20 -3.58 0.02 0.00 0.01 0.00 0.00 42.46 39.11 2wu1 s ILE 404 CO 0.45 0.27 -0.17 0.20 0.00 0.00 0.00 174.94 175.70 2wu1 s ASN 405 N 1.34 2.97 0.07 3.58 0.01 -0.21 -4.97 114.94 117.73 2wu1 s ASN 405 Ca 0.11 -0.60 0.05 0.00 -0.71 0.00 0.00 52.86 51.70 2wu1 s ASN 405 Cb -0.15 -1.33 -0.03 0.00 0.41 0.00 0.00 41.25 40.15 2wu1 s ASN 405 CO 0.08 -0.04 -0.13 -0.76 -1.51 0.00 0.00 177.10 174.73 2wu1 s LEU 406 N 1.38 2.27 0.28 0.60 1.43 -1.26 -1.86 118.68 121.52 2wu1 s LEU 406 Ca 0.04 -0.60 -0.29 0.00 -1.03 0.00 0.00 54.13 52.25 2wu1 s LEU 406 Cb -0.13 -0.48 -0.10 0.00 0.03 0.00 0.00 46.19 45.51 2wu1 s LEU 406 CO -0.12 -0.09 1.13 -0.76 0.23 0.00 0.00 176.35 176.74 2wu1 s LEU 407 N -1.70 4.53 -0.72 1.79 1.43 -1.26 -4.98 118.68 117.77 2wu1 s LEU 407 Ca -0.03 2.32 -0.24 0.00 -1.03 0.00 0.00 54.13 55.14 2wu1 s LEU 407 Cb -0.10 -3.63 0.05 0.00 0.03 0.00 0.00 46.19 42.55 2wu1 s LEU 407 CO 0.02 -0.20 1.14 0.21 0.23 0.00 0.00 176.35 177.75 2wu1 s ASN 408 N -0.78 6.20 0.07 2.29 3.04 -1.26 -4.84 114.94 119.65 2wu1 s ASN 408 Ca 0.45 -0.80 0.10 0.00 0.04 0.00 0.00 52.86 52.65 2wu1 s ASN 408 Cb -0.33 -2.49 0.45 0.00 -1.54 0.00 0.00 41.25 37.34 2wu1 s ASN 408 CO 0.42 -1.62 1.30 0.61 -3.04 0.00 0.00 177.10 174.78 2wu1 n GLY 409 N 5.43 -0.78 1.04 1.21 0.00 -1.26 -2.26 105.19 108.56 2wu1 n GLY 409 Ca 0.02 0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.07 2wu1 n GLY 409 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wu1 n ASN 410 N -1.67 2.10 -4.77 1.61 3.02 -1.26 -1.60 115.26 112.68 2wu1 n ASN 410 Ca 0.01 -3.53 -0.35 0.00 -0.03 0.00 0.00 54.58 50.69 2wu1 n ASN 410 Cb 0.08 -0.46 0.02 0.00 -0.61 0.00 0.00 39.78 38.80 2wu1 n ASN 410 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wu1 s ALA 411 N -2.82 2.63 -0.02 5.41 0.00 -0.96 -4.96 121.76 121.03 2wu1 s ALA 411 Ca 0.39 0.78 -0.25 0.00 0.00 0.00 0.00 51.96 52.88 2wu1 s ALA 411 Cb 0.38 -3.36 -0.20 0.00 0.00 0.00 0.00 23.12 19.94 2wu1 s ALA 411 CO -0.07 -0.93 1.24 -1.00 0.00 0.00 0.00 175.76 175.01 2wu1 h PRO 412 N 0.89 0.08 -3.98 0.00 0.13 -1.97 -3.37 132.00 123.78 2wu1 h PRO 412 Ca -0.49 -0.05 -0.76 0.00 -0.87 0.00 0.00 66.00 63.82 2wu1 h PRO 412 Cb 1.26 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.14 2wu1 h PRO 412 CO 0.56 0.59 -0.12 0.34 -0.23 0.00 0.00 178.00 179.14 2wu1 s ASP 413 N -5.84 6.31 0.19 1.44 -1.08 -1.26 -4.94 116.67 111.49 2wu1 s ASP 413 Ca -0.16 -2.22 -0.12 0.00 -0.52 0.00 0.00 52.55 49.54 2wu1 s ASP 413 Cb 0.02 -2.17 0.18 0.00 -1.46 0.00 0.00 42.92 39.50 2wu1 s ASP 413 CO 0.70 -0.70 1.79 0.40 0.52 0.00 0.00 175.17 177.87 2wu1 h ILE 414 N 5.45 0.93 -0.83 4.11 1.08 -1.97 -1.38 117.51 124.90 2wu1 h ILE 414 Ca -0.11 -0.18 -0.00 0.00 -0.39 0.00 0.00 64.86 64.17 2wu1 h ILE 414 Cb 1.07 0.35 -0.04 0.00 -3.07 0.00 0.00 36.82 35.12 2wu1 h ILE 414 CO 0.89 0.10 0.50 0.44 -0.69 0.00 0.00 178.15 179.39 2wu1 h ASP 415 N 0.54 1.00 -0.47 1.72 3.45 -1.96 -2.19 116.42 118.50 2wu1 h ASP 415 Ca 0.26 -0.07 -0.10 0.00 0.43 0.00 0.00 57.03 57.55 2wu1 h ASP 415 Cb 0.18 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.68 2wu1 h ASP 415 CO -0.18 0.77 -0.07 0.00 -1.57 0.00 0.00 179.24 178.19 2wu1 h ALA 416 N 1.27 0.91 -0.11 3.45 0.00 -1.84 -2.60 119.26 120.33 2wu1 h ALA 416 Ca 0.30 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2wu1 h ALA 416 Cb -0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2wu1 h ALA 416 CO -0.06 0.64 -0.06 1.49 0.00 0.00 0.00 179.25 181.27 2wu1 h GLU 417 N 0.84 -0.05 -0.43 0.00 4.57 -0.72 -1.02 114.58 117.77 2wu1 h GLU 417 Ca 0.14 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2wu1 h GLU 417 Cb 0.59 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.17 2wu1 h GLU 417 CO 0.04 -0.03 0.28 0.00 -1.18 0.00 0.00 179.01 178.12 2wu1 h ARG 419 N 0.58 1.07 -0.23 0.00 2.43 -1.29 -2.48 114.38 114.46 2wu1 h ARG 419 Ca 0.16 -0.27 -0.09 0.00 -0.81 0.00 0.00 59.98 58.97 2wu1 h ARG 419 Cb -0.06 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 2wu1 h ARG 419 CO -0.03 0.96 -0.25 1.96 -1.51 0.00 0.00 179.97 181.10 2wu1 h GLN 420 N 1.01 0.43 -0.17 0.20 4.20 -0.95 -2.20 115.11 117.63 2wu1 h GLN 420 Ca 0.21 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2wu1 h GLN 420 Cb 0.40 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2wu1 h GLN 420 CO 0.01 0.65 0.11 -0.92 -0.67 0.00 0.00 178.83 178.00 2wu1 h TYR 421 N 0.38 0.21 -0.84 2.96 3.20 -0.90 0.27 116.97 122.26 2wu1 h TYR 421 Ca 0.06 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 2wu1 h TYR 421 Cb 0.65 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.80 2wu1 h TYR 421 CO 0.02 0.16 0.52 0.93 -1.64 0.00 0.00 178.16 178.14 2wu1 h GLU 422 N 0.21 1.13 -0.65 1.82 4.39 -1.34 -1.95 114.58 118.19 2wu1 h GLU 422 Ca 0.06 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 2wu1 h GLU 422 Cb 0.00 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.38 2wu1 h GLU 422 CO -0.01 0.78 0.22 0.93 -1.16 0.00 0.00 179.01 179.77 2wu1 h GLU 423 N 1.15 1.00 -0.27 2.33 4.39 -0.90 -1.39 114.58 120.88 2wu1 h GLU 423 Ca 0.30 -0.20 0.06 0.00 0.34 0.00 0.00 59.36 59.86 2wu1 h GLU 423 Cb -0.07 -0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 28.38 2wu1 h GLU 423 CO -0.06 0.86 -0.10 0.87 -1.16 0.00 0.00 179.01 179.42 2wu1 h LYS 424 N 0.93 -0.05 -0.43 2.33 1.79 -0.03 0.23 116.57 121.34 2wu1 h LYS 424 Ca 0.21 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.74 2wu1 h LYS 424 Cb 0.27 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.88 2wu1 h LYS 424 CO -0.01 -0.04 0.14 0.82 -1.08 0.00 0.00 179.45 179.29 2wu1 h ILE 425 N -0.05 0.85 -0.46 1.86 2.04 -0.93 -2.38 117.51 118.43 2wu1 h ILE 425 Ca 0.14 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 2wu1 h ILE 425 Cb 0.26 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 2wu1 h ILE 425 CO -0.31 0.06 0.15 0.03 0.00 0.00 0.00 178.15 178.07 2wu1 h ARG 426 N 0.30 0.67 -0.06 2.37 2.47 -0.70 -1.52 114.38 117.91 2wu1 h ARG 426 Ca 0.20 -0.11 -0.01 0.00 -1.26 0.00 0.00 59.98 58.81 2wu1 h ARG 426 Cb 0.20 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.40 2wu1 h ARG 426 CO -0.21 0.58 0.00 0.66 0.56 0.00 0.00 179.97 181.56 2wu1 h SER 427 N 0.66 0.08 1.18 7.04 4.64 -0.43 0.19 113.55 126.90 2wu1 h SER 427 Ca 0.16 -0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.38 2wu1 h SER 427 Cb 0.19 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 2wu1 h SER 427 CO -0.01 0.09 -0.86 1.88 -0.87 0.00 0.00 176.83 177.07 2wu1 h TYR 428 N 0.09 0.00 0.00 4.77 0.05 -1.30 -3.49 116.97 117.09 2wu1 h TYR 428 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.80 2wu1 h TYR 428 Cb 0.06 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.80 2wu1 h TYR 428 CO 0.00 0.38 0.00 0.41 -1.05 0.00 0.00 178.16 177.90 2wu1 n GLY 429 N 1.26 2.28 3.28 3.88 0.00 0.05 -5.00 105.19 110.95 2wu1 n GLY 429 Ca -0.02 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 2wu1 n GLY 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wu1 s LYS 430 N 0.00 0.66 -0.23 1.61 1.02 -1.26 -4.64 119.74 116.90 2wu1 s LYS 430 Ca 0.00 0.05 -0.29 0.00 0.02 0.00 0.00 55.97 55.76 2wu1 s LYS 430 Cb 0.00 0.30 0.01 0.00 -0.52 0.00 0.00 37.83 37.62 2wu1 s LYS 430 CO 0.00 -0.16 1.03 0.42 -0.92 0.00 0.00 175.35 175.72 2wu1 s ILE 431 N -0.90 4.69 0.17 2.17 1.01 -1.26 -4.68 121.20 122.39 2wu1 s ILE 431 Ca -0.10 2.02 -0.01 0.00 0.00 0.00 0.00 60.65 62.56 2wu1 s ILE 431 Cb -0.04 -4.30 -0.13 0.00 0.01 0.00 0.00 42.46 38.00 2wu1 s ILE 431 CO 0.04 -0.17 1.40 0.45 0.00 0.00 0.00 174.94 176.66 2wu1 h HIS 432 N 7.45 0.48 -2.68 3.97 3.86 -1.60 0.28 115.15 126.91 2wu1 h HIS 432 Ca -0.19 -0.23 -0.15 0.00 -1.16 0.00 0.00 60.37 58.63 2wu1 h HIS 432 Cb 1.06 -0.07 -0.30 0.00 1.06 0.00 0.00 27.41 29.17 2wu1 h HIS 432 CO 0.75 1.01 -0.44 -1.17 0.86 0.00 0.00 177.93 178.94 2wu1 s LEU 433 N -7.79 -0.45 -0.24 2.43 2.96 -1.13 -2.22 118.68 112.25 2wu1 s LEU 433 Ca -0.05 0.80 -0.04 0.00 -0.22 0.00 0.00 54.13 54.62 2wu1 s LEU 433 Cb 0.10 1.05 0.00 0.00 0.50 0.00 0.00 46.19 47.84 2wu1 s LEU 433 CO 0.84 -0.23 -0.02 0.12 -1.32 0.00 0.00 176.35 175.74 2wu1 s PHE 434 N 2.45 3.01 -0.08 5.38 2.19 0.44 -0.31 117.98 131.07 2wu1 s PHE 434 Ca -0.01 -1.04 -0.04 0.00 0.33 0.00 0.00 56.93 56.17 2wu1 s PHE 434 Cb -0.12 -2.13 -0.04 0.00 -1.31 0.00 0.00 43.02 39.43 2wu1 s PHE 434 CO -0.11 -0.58 0.11 1.41 1.83 0.00 0.00 175.22 177.88 2wu1 s MET 435 N 1.46 3.29 0.30 10.12 -2.45 -0.08 -0.73 119.30 131.21 2wu1 s MET 435 Ca 0.04 -0.27 -0.13 0.00 -1.25 0.00 0.00 55.69 54.08 2wu1 s MET 435 Cb -0.15 -3.04 0.01 0.00 1.25 0.00 0.00 34.83 32.90 2wu1 s MET 435 CO -0.02 0.73 0.58 0.20 1.05 0.00 0.00 175.02 177.56 2wu1 s GLY 436 N -1.27 0.60 0.00 2.11 0.00 -0.45 -3.49 107.32 104.81 2wu1 s GLY 436 Ca 0.18 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 44.01 2wu1 s GLY 436 CO 0.08 -0.55 0.00 0.61 0.00 0.00 0.00 173.10 173.24 2wu1 n GLY 437 N -0.47 4.07 3.01 0.20 0.00 -1.26 -0.74 105.19 110.01 2wu1 n GLY 437 Ca -0.03 -2.13 -0.12 0.00 0.00 0.00 0.00 46.02 43.74 2wu1 n GLY 437 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wu1 s VAL 438 N 0.37 0.02 0.71 1.61 0.11 -1.26 -4.61 120.40 117.35 2wu1 s VAL 438 Ca 0.00 -0.16 -0.11 0.00 -2.93 0.00 0.00 61.98 58.79 2wu1 s VAL 438 Cb 0.00 -0.22 0.03 0.00 -1.53 0.00 0.00 36.38 34.66 2wu1 s VAL 438 CO 0.00 -0.09 1.09 -0.83 -3.33 0.00 0.00 175.10 171.94 2wu1 s GLY 439 N -0.24 1.62 0.45 6.54 0.00 -0.08 -4.90 107.32 110.71 2wu1 s GLY 439 Ca -0.03 -0.45 0.17 0.00 0.00 0.00 0.00 44.72 44.41 2wu1 s GLY 439 CO 0.00 -0.07 1.96 3.43 0.00 0.00 0.00 173.10 178.43 2wu1 h ASN 440 N -0.67 0.30 -0.66 1.64 2.35 -1.91 0.72 115.58 117.36 2wu1 h ASN 440 Ca -0.45 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 2wu1 h ASN 440 Cb 1.27 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.59 2wu1 h ASN 440 CO 0.64 0.17 0.00 -0.90 -1.65 0.00 0.00 177.43 175.69 2wu1 n ASP 441 N -4.46 4.31 0.00 5.81 5.68 -1.26 -4.36 116.55 122.27 2wu1 n ASP 441 Ca 0.11 -2.27 0.00 0.00 -0.50 0.00 0.00 54.79 52.13 2wu1 n ASP 441 Cb 0.47 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 2wu1 n ASP 441 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wu1 n GLY 442 N 1.30 0.75 3.77 6.12 0.00 0.25 -4.55 105.19 112.83 2wu1 n GLY 442 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 2wu1 n GLY 442 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2wu1 s HIS 443 N -2.52 2.68 -0.12 1.61 -3.43 -1.26 -0.97 115.29 111.28 2wu1 s HIS 443 Ca 0.00 1.54 0.03 0.00 -0.80 0.00 0.00 55.06 55.83 2wu1 s HIS 443 Cb 0.00 -3.32 0.01 0.00 -1.43 0.00 0.00 32.58 27.84 2wu1 s HIS 443 CO 0.00 -1.61 -0.23 -1.50 -2.00 0.00 0.00 174.74 169.40 2wu1 s ILE 444 N -1.72 2.05 0.00 -5.38 2.07 -1.25 -0.90 121.20 116.07 2wu1 s ILE 444 Ca 0.72 -0.99 0.00 0.00 -1.41 0.00 0.00 60.65 58.96 2wu1 s ILE 444 Cb -0.25 -1.79 0.00 0.00 0.13 0.00 0.00 42.46 40.55 2wu1 s ILE 444 CO 0.28 0.55 0.00 0.00 -1.91 0.00 0.00 174.94 173.87 2wu1 n ALA 445 N 3.80 0.00 -1.29 1.50 0.00 -1.26 -1.31 120.51 121.94 2wu1 n ALA 445 Ca -0.20 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 52.98 2wu1 n ALA 445 Cb 0.52 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.12 2wu1 n ALA 445 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wu1 n PHE 446 N 13.29 3.01 -2.64 0.00 3.72 -1.26 -4.83 117.46 128.75 2wu1 n PHE 446 Ca 0.00 -2.22 -0.43 0.00 -0.05 0.00 0.00 57.45 54.76 2wu1 n PHE 446 Cb 0.00 -1.07 -0.01 0.00 -0.94 0.00 0.00 39.48 37.46 2wu1 n PHE 446 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2wu1 s ASN 447 N -1.58 6.81 1.05 4.37 0.01 -0.43 -4.90 114.94 120.27 2wu1 s ASN 447 Ca 0.59 -2.34 -0.11 0.00 -0.71 0.00 0.00 52.86 50.29 2wu1 s ASN 447 Cb 0.48 -2.55 0.22 0.00 0.41 0.00 0.00 41.25 39.82 2wu1 s ASN 447 CO 0.06 -1.17 1.09 -1.61 -1.51 0.00 0.00 177.10 173.96 2wu1 s GLU 448 N 3.95 -0.03 0.21 -0.60 0.41 -1.26 -3.89 118.70 117.48 2wu1 s GLU 448 Ca 0.50 1.21 -0.31 0.00 -0.41 0.00 0.00 54.97 55.97 2wu1 s GLU 448 Cb 0.02 -1.63 -0.16 0.00 -1.78 0.00 0.00 34.13 30.58 2wu1 s GLU 448 CO 0.03 -3.23 0.99 -2.30 -0.49 0.00 0.00 175.26 170.26 2wu1 n PRO 449 N -4.62 0.95 -1.58 0.39 -0.02 -1.26 -1.54 135.00 127.32 2wu1 n PRO 449 Ca 0.07 0.34 -0.06 0.00 -2.02 0.00 0.00 63.50 61.83 2wu1 n PRO 449 Cb 0.53 -1.70 -0.02 0.00 -0.02 0.00 0.00 33.50 32.30 2wu1 n PRO 449 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wu1 n ALA 450 N 0.80 -0.13 -2.13 3.55 0.00 0.20 -4.92 120.51 117.87 2wu1 n ALA 450 Ca 0.14 0.07 -0.39 0.00 0.00 0.00 0.00 53.44 53.26 2wu1 n ALA 450 Cb 0.26 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.70 2wu1 n ALA 450 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2wu1 s SER 451 N -2.85 7.28 0.30 0.00 0.01 -0.59 -5.02 113.70 112.82 2wu1 s SER 451 Ca 0.00 1.52 -0.30 0.00 1.31 0.00 0.00 55.95 58.48 2wu1 s SER 451 Cb 0.00 -2.46 -0.13 0.00 0.21 0.00 0.00 66.02 63.64 2wu1 s SER 451 CO 0.00 0.18 1.38 -0.24 0.41 0.00 0.00 173.24 174.98 2wu1 n SER 452 N 1.88 2.94 0.00 2.44 2.88 -1.26 -4.77 113.62 117.73 2wu1 n SER 452 Ca -0.06 1.18 0.11 0.00 -1.33 0.00 0.00 58.87 58.76 2wu1 n SER 452 Cb 0.49 -1.48 0.59 0.00 -0.75 0.00 0.00 64.21 63.06 2wu1 n SER 452 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2wu1 n LEU 453 N 1.48 0.00 -0.37 2.46 4.77 -1.26 -2.39 117.00 121.70 2wu1 n LEU 453 Ca 0.08 0.21 0.06 0.00 -0.03 0.00 0.00 56.01 56.33 2wu1 n LEU 453 Cb 0.34 -0.21 0.14 0.00 -2.33 0.00 0.00 43.42 41.36 2wu1 n LEU 453 CO 0.63 -0.06 0.60 0.00 -1.33 0.00 0.00 177.39 177.23 2wu1 n ALA 454 N -1.21 2.37 -1.38 -1.18 0.00 -1.26 -3.73 120.51 114.12 2wu1 n ALA 454 Ca 0.12 -1.90 -0.33 0.00 0.00 0.00 0.00 53.44 51.33 2wu1 n ALA 454 Cb 0.15 -0.39 0.08 0.00 0.00 0.00 0.00 19.45 19.29 2wu1 n ALA 454 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2wu1 s SER 455 N -1.86 4.52 0.22 0.00 1.04 -1.01 -4.37 113.70 112.25 2wu1 s SER 455 Ca 0.25 2.18 0.01 0.00 0.48 0.00 0.00 55.95 58.88 2wu1 s SER 455 Cb 0.20 -2.57 0.01 0.00 0.10 0.00 0.00 66.02 63.77 2wu1 s SER 455 CO 0.06 -2.04 0.12 0.54 0.98 0.00 0.00 173.24 172.90 2wu1 n ARG 456 N -2.69 1.25 -2.17 4.02 5.12 -1.26 -0.91 116.66 120.02 2wu1 n ARG 456 Ca 0.12 -1.47 -0.41 0.00 -1.93 0.00 0.00 57.85 54.16 2wu1 n ARG 456 Cb 0.51 0.23 -0.03 0.00 -1.16 0.00 0.00 32.46 32.01 2wu1 n ARG 456 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2wu1 s THR 457 N -1.31 3.10 0.09 0.55 2.01 -1.26 -3.34 115.64 115.47 2wu1 s THR 457 Ca 0.09 0.89 -0.26 0.00 0.31 0.00 0.00 61.69 62.73 2wu1 s THR 457 Cb -0.01 -3.57 0.09 0.00 0.01 0.00 0.00 72.50 69.02 2wu1 s THR 457 CO 0.06 0.13 1.13 0.00 -0.69 0.00 0.00 174.62 175.24 2wu1 s ARG 458 N -0.05 0.89 0.20 4.92 1.70 -0.54 -4.69 118.95 121.39 2wu1 s ARG 458 Ca 0.58 -0.54 -0.27 0.00 -0.47 0.00 0.00 55.73 55.03 2wu1 s ARG 458 Cb -0.38 0.27 -0.08 0.00 -0.57 0.00 0.00 34.95 34.19 2wu1 s ARG 458 CO 0.38 -0.41 0.85 -1.50 -1.08 0.00 0.00 175.30 173.54 2wu1 s ILE 459 N -2.47 4.23 0.07 4.99 2.07 -1.26 -1.20 121.20 127.63 2wu1 s ILE 459 Ca 0.19 1.88 0.03 0.00 -1.41 0.00 0.00 60.65 61.34 2wu1 s ILE 459 Cb -0.00 -4.22 -0.03 0.00 0.13 0.00 0.00 42.46 38.34 2wu1 s ILE 459 CO 0.01 0.50 -0.10 -0.54 -1.91 0.00 0.00 174.94 172.91 2wu1 s LYS 460 N -1.18 0.72 -0.22 3.50 -0.14 -0.36 -4.96 119.74 117.10 2wu1 s LYS 460 Ca 0.38 -0.98 -0.07 0.00 -1.36 0.00 0.00 55.97 53.94 2wu1 s LYS 460 Cb -0.24 -0.47 -0.03 0.00 -1.68 0.00 0.00 37.83 35.41 2wu1 s LYS 460 CO 0.29 0.08 0.06 0.99 -0.76 0.00 0.00 175.35 176.01 2wu1 s THR 461 N -1.91 4.46 0.35 2.17 2.01 -1.26 -1.76 115.64 119.70 2wu1 s THR 461 Ca -0.01 -0.13 -0.26 0.00 0.31 0.00 0.00 61.69 61.59 2wu1 s THR 461 Cb -0.06 -3.05 -0.09 0.00 0.01 0.00 0.00 72.50 69.31 2wu1 s THR 461 CO 0.00 0.39 1.03 -0.76 -0.69 0.00 0.00 174.62 174.60 2wu1 s LEU 462 N 1.07 4.30 0.57 4.42 1.43 0.29 -4.94 118.68 125.81 2wu1 s LEU 462 Ca 0.04 2.04 -0.17 0.00 -1.03 0.00 0.00 54.13 55.02 2wu1 s LEU 462 Cb -0.14 -3.99 -0.05 0.00 0.03 0.00 0.00 46.19 42.03 2wu1 s LEU 462 CO 0.03 -0.29 1.05 0.28 0.23 0.00 0.00 176.35 177.65 2wu1 s THR 463 N -1.51 3.84 0.26 5.49 -1.32 -1.26 -4.94 115.64 116.20 2wu1 s THR 463 Ca 0.52 0.93 -0.05 0.00 -1.21 0.00 0.00 61.69 61.88 2wu1 s THR 463 Cb -0.24 -3.42 0.25 0.00 -1.51 0.00 0.00 72.50 67.59 2wu1 s THR 463 CO 0.30 -0.46 1.93 -0.74 -2.21 0.00 0.00 174.62 173.44 2wu1 h HIS 464 N 0.70 1.22 -0.73 9.09 2.76 -2.00 -2.45 115.15 123.74 2wu1 h HIS 464 Ca -0.47 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 57.68 2wu1 h HIS 464 Cb 1.22 -0.41 -0.03 0.00 1.55 0.00 0.00 27.41 29.73 2wu1 h HIS 464 CO 0.58 0.78 0.32 -0.44 -1.30 0.00 0.00 177.93 177.87 2wu1 h ASP 465 N 1.31 0.98 -0.61 3.26 3.32 -2.00 -2.24 116.42 120.43 2wu1 h ASP 465 Ca 0.35 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 57.18 2wu1 h ASP 465 Cb -0.12 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.15 2wu1 h ASP 465 CO -0.07 0.85 0.06 0.74 -1.72 0.00 0.00 179.24 179.10 2wu1 h THR 466 N 1.05 1.26 -0.22 0.35 2.02 -1.83 -1.28 112.91 114.27 2wu1 h THR 466 Ca 0.25 -1.08 -0.14 0.00 0.77 0.00 0.00 66.41 66.22 2wu1 h THR 466 Cb 0.16 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 2wu1 h THR 466 CO -0.03 0.40 -0.43 0.03 0.37 0.00 0.00 175.52 175.86 2wu1 h ARG 467 N 0.98 0.53 -0.47 6.66 3.08 -1.22 0.71 114.38 124.65 2wu1 h ARG 467 Ca 0.19 -0.28 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 2wu1 h ARG 467 Cb 0.48 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 2wu1 h ARG 467 CO 0.02 0.86 0.09 0.28 -1.07 0.00 0.00 179.97 180.16 2wu1 h VAL 468 N 0.43 1.24 -0.32 2.04 2.07 -1.34 0.02 116.25 120.40 2wu1 h VAL 468 Ca 0.03 -0.87 0.02 0.00 0.82 0.00 0.00 66.70 66.70 2wu1 h VAL 468 Cb 0.93 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2wu1 h VAL 468 CO 0.08 0.31 0.16 0.00 0.02 0.00 0.00 177.57 178.14 2wu1 h ALA 469 N 0.97 0.39 -0.03 1.67 0.00 -0.88 -2.90 119.26 118.48 2wu1 h ALA 469 Ca 0.14 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2wu1 h ALA 469 Cb 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2wu1 h ALA 469 CO 0.01 -0.21 0.00 0.09 0.00 0.00 0.00 179.25 179.13 2wu1 n ASN 470 N -4.94 0.93 0.26 0.00 3.02 0.21 -3.93 115.26 110.81 2wu1 n ASN 470 Ca -0.00 -1.37 0.16 0.00 -0.03 0.00 0.00 54.58 53.34 2wu1 n ASN 470 Cb 0.07 -0.01 0.57 0.00 -0.61 0.00 0.00 39.78 39.79 2wu1 n ASN 470 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2wu1 h SER 471 N 1.40 0.00 -0.08 6.41 4.64 -0.77 -2.33 113.55 122.82 2wu1 h SER 471 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 2wu1 h SER 471 Cb 0.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2wu1 h SER 471 CO 0.00 0.00 0.23 0.03 -0.87 0.00 0.00 176.83 176.22 2wu1 h ARG 472 N 0.00 0.00 0.00 4.77 3.08 -1.75 0.73 114.38 121.22 2wu1 h ARG 472 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wu1 h ARG 472 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2wu1 h ARG 472 CO 0.00 0.00 -0.94 1.19 -1.07 0.00 0.00 179.97 179.15 2wu1 n PHE 473 N -3.22 0.03 -2.05 3.04 3.72 -0.88 -4.02 117.46 114.09 2wu1 n PHE 473 Ca -0.01 0.01 -0.28 0.00 -0.05 0.00 0.00 57.45 57.13 2wu1 n PHE 473 Cb 0.31 -0.14 0.02 0.00 -0.94 0.00 0.00 39.48 38.73 2wu1 n PHE 473 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2wu1 n PHE 474 N -1.60 3.03 -3.77 1.38 3.01 -0.18 -4.92 117.46 114.41 2wu1 n PHE 474 Ca 0.04 -2.60 -0.26 0.00 1.01 0.00 0.00 57.45 55.64 2wu1 n PHE 474 Cb 0.36 -0.49 0.04 0.00 -0.01 0.00 0.00 39.48 39.38 2wu1 n PHE 474 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2wu1 n ASP 475 N -0.66 -4.22 -2.90 4.37 8.00 -1.12 -2.04 116.55 117.98 2wu1 n ASP 475 Ca 0.46 -0.72 -0.20 0.00 0.71 0.00 0.00 54.79 55.03 2wu1 n ASP 475 Cb 0.78 -4.26 0.01 0.00 -0.02 0.00 0.00 41.12 37.63 2wu1 n ASP 475 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2wu1 n ASN 476 N -2.94 -4.95 -4.13 -2.24 4.13 0.24 -4.96 115.26 100.40 2wu1 n ASN 476 Ca -0.06 -0.17 -0.34 0.00 1.68 0.00 0.00 54.58 55.69 2wu1 n ASN 476 Cb 0.57 -4.08 -0.14 0.00 -1.54 0.00 0.00 39.78 34.60 2wu1 n ASN 476 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2wu1 s ASP 477 N -2.47 4.77 0.21 6.41 3.68 -0.86 -4.96 116.67 123.44 2wu1 s ASP 477 Ca 0.22 -1.37 0.05 0.00 2.13 0.00 0.00 52.55 53.58 2wu1 s ASP 477 Cb -0.11 -1.66 0.14 0.00 -1.45 0.00 0.00 42.92 39.84 2wu1 s ASP 477 CO 0.27 -0.25 1.48 0.58 0.13 0.00 0.00 175.17 177.38 2wu1 h VAL 478 N 6.56 1.46 0.00 1.11 2.07 -1.87 -2.70 116.25 122.87 2wu1 h VAL 478 Ca -0.20 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 64.98 2wu1 h VAL 478 Cb 1.05 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 2wu1 h VAL 478 CO 0.52 0.68 0.00 0.59 0.02 0.00 0.00 177.57 179.38 2wu1 n ASN 479 N -3.74 0.00 0.03 0.57 3.02 -1.26 -2.58 115.26 111.29 2wu1 n ASN 479 Ca -0.02 0.29 -0.07 0.00 -0.03 0.00 0.00 54.58 54.74 2wu1 n ASN 479 Cb 0.71 -0.40 -0.13 0.00 -0.61 0.00 0.00 39.78 39.35 2wu1 n ASN 479 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2wu1 h GLN 480 N 0.00 0.00 -6.65 3.52 4.20 -1.81 -3.47 115.11 110.91 2wu1 h GLN 480 Ca 0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 2wu1 h GLN 480 Cb 0.22 0.00 0.04 0.00 0.30 0.00 0.00 27.48 28.04 2wu1 h GLN 480 CO 0.00 0.77 0.75 0.08 -0.67 0.00 0.00 178.83 179.76 2wu1 s VAL 481 N -2.67 2.94 0.50 -0.54 1.01 -1.07 -4.97 120.40 115.61 2wu1 s VAL 481 Ca -0.01 0.73 -0.23 0.00 0.00 0.00 0.00 61.98 62.47 2wu1 s VAL 481 Cb 0.09 -3.47 -0.06 0.00 0.00 0.00 0.00 36.38 32.94 2wu1 s VAL 481 CO 0.82 0.09 1.32 -2.84 0.00 0.00 0.00 175.10 174.49 2wu1 s PRO 482 N 0.40 3.41 0.23 2.72 0.02 -1.26 -4.94 135.00 135.59 2wu1 s PRO 482 Ca 0.62 2.16 0.23 0.00 0.02 0.00 0.00 61.00 64.04 2wu1 s PRO 482 Cb -0.40 -2.38 0.25 0.00 0.02 0.00 0.00 34.50 31.98 2wu1 s PRO 482 CO 0.36 -0.95 1.31 0.87 -0.33 0.00 0.00 177.00 178.26 2wu1 h LYS 483 N 1.80 0.00 -5.81 5.54 1.57 -1.93 -3.47 116.57 114.27 2wu1 h LYS 483 Ca -0.50 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 57.78 2wu1 h LYS 483 Cb 1.28 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.42 2wu1 h LYS 483 CO 0.59 0.00 -0.76 0.71 -0.57 0.00 0.00 179.45 179.41 2wu1 s TYR 484 N -3.25 1.79 -0.07 -1.35 2.02 -1.26 -0.55 117.35 114.68 2wu1 s TYR 484 Ca 0.04 -0.50 -0.12 0.00 -0.37 0.00 0.00 57.07 56.12 2wu1 s TYR 484 Cb 0.10 -0.87 0.03 0.00 -0.40 0.00 0.00 41.96 40.82 2wu1 s TYR 484 CO 0.73 0.35 0.30 0.00 -1.57 0.00 0.00 175.55 175.36 2wu1 s ALA 485 N -2.36 -0.76 0.05 3.71 0.00 -0.72 -1.58 121.76 120.09 2wu1 s ALA 485 Ca 0.18 0.61 -0.25 0.00 0.00 0.00 0.00 51.96 52.50 2wu1 s ALA 485 Cb -0.04 -0.25 -0.06 0.00 0.00 0.00 0.00 23.12 22.78 2wu1 s ALA 485 CO 0.07 -0.20 0.75 -0.51 0.00 0.00 0.00 175.76 175.87 2wu1 s LEU 486 N -0.52 4.45 -0.07 0.00 1.43 0.30 -1.22 118.68 123.05 2wu1 s LEU 486 Ca -0.06 1.43 -0.07 0.00 -1.03 0.00 0.00 54.13 54.40 2wu1 s LEU 486 Cb -0.04 -3.20 0.02 0.00 0.03 0.00 0.00 46.19 43.00 2wu1 s LEU 486 CO 0.02 0.03 0.19 0.28 0.23 0.00 0.00 176.35 177.11 2wu1 s THR 487 N -0.12 0.01 0.80 5.49 -1.32 -0.34 -1.67 115.64 118.48 2wu1 s THR 487 Ca 0.38 -0.06 -0.13 0.00 -1.21 0.00 0.00 61.69 60.67 2wu1 s THR 487 Cb -0.20 -0.29 0.08 0.00 -1.51 0.00 0.00 72.50 70.57 2wu1 s THR 487 CO 0.23 -0.03 1.18 0.68 -2.21 0.00 0.00 174.62 174.46 2wu1 s VAL 488 N -0.02 2.30 0.49 5.08 -7.23 0.12 -1.46 120.40 119.66 2wu1 s VAL 488 Ca -0.01 0.12 0.06 0.00 -1.81 0.00 0.00 61.98 60.34 2wu1 s VAL 488 Cb -0.02 -2.48 0.03 0.00 0.56 0.00 0.00 36.38 34.47 2wu1 s VAL 488 CO 0.00 -0.10 0.67 -0.83 -0.31 0.00 0.00 175.10 174.53 2wu1 s GLY 489 N -2.39 1.88 0.12 2.32 0.00 -1.21 -4.70 107.32 103.34 2wu1 s GLY 489 Ca 0.70 -1.64 -0.20 0.00 0.00 0.00 0.00 44.72 43.59 2wu1 s GLY 489 CO 0.51 -1.38 1.75 -2.08 0.00 0.00 0.00 173.10 171.90 2wu1 h VAL 490 N 0.38 0.97 -0.90 1.40 2.07 -1.77 -0.83 116.25 117.56 2wu1 h VAL 490 Ca -0.39 -0.06 0.11 0.00 0.82 0.00 0.00 66.70 67.18 2wu1 h VAL 490 Cb 1.28 0.79 -0.08 0.00 -1.52 0.00 0.00 31.29 31.77 2wu1 h VAL 490 CO 0.46 0.03 0.54 1.23 0.02 0.00 0.00 177.57 179.85 2wu1 h GLY 491 N 0.16 1.45 0.94 2.17 0.00 -1.11 0.46 103.07 107.15 2wu1 h GLY 491 Ca 0.08 -0.36 0.01 0.00 0.00 0.00 0.00 47.33 47.06 2wu1 h GLY 491 CO -0.07 0.13 0.33 -0.84 0.00 0.00 0.00 176.54 176.09 2wu1 h THR 492 N 0.86 1.10 -0.49 4.70 2.02 -1.36 -2.24 112.91 117.50 2wu1 h THR 492 Ca 0.45 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.39 2wu1 h THR 492 Cb 0.44 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 2wu1 h THR 492 CO -0.27 0.12 0.28 -0.07 0.37 0.00 0.00 175.52 175.95 2wu1 h LEU 493 N 0.67 0.60 -1.75 2.58 3.38 -0.59 -2.97 115.31 117.23 2wu1 h LEU 493 Ca 0.20 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2wu1 h LEU 493 Cb -0.03 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2wu1 h LEU 493 CO -0.07 0.51 0.00 -0.07 0.09 0.00 0.00 178.44 178.90 2wu1 h LEU 494 N 0.65 0.00 -0.00 1.67 3.38 -0.58 -1.43 115.31 118.99 2wu1 h LEU 494 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2wu1 h LEU 494 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2wu1 h LEU 494 CO -0.03 0.00 0.00 0.47 0.09 0.00 0.00 178.44 178.97 2wu1 n ASP 495 N -2.88 0.78 -4.76 -0.43 8.00 -0.87 -4.86 116.55 111.53 2wu1 n ASP 495 Ca -0.00 0.57 -0.37 0.00 0.71 0.00 0.00 54.79 55.70 2wu1 n ASP 495 Cb 0.21 -0.78 0.02 0.00 -0.02 0.00 0.00 41.12 40.55 2wu1 n ASP 495 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wu1 s ALA 496 N -3.10 2.73 0.17 2.24 0.00 -0.54 -4.68 121.76 118.58 2wu1 s ALA 496 Ca 0.11 1.06 -0.10 0.00 0.00 0.00 0.00 51.96 53.03 2wu1 s ALA 496 Cb 0.13 -3.46 0.04 0.00 0.00 0.00 0.00 23.12 19.82 2wu1 s ALA 496 CO 0.59 -1.06 1.60 1.49 0.00 0.00 0.00 175.76 178.38 2wu1 h GLU 497 N 1.35 1.01 -3.72 0.00 4.81 -0.57 -3.44 114.58 114.01 2wu1 h GLU 497 Ca -0.50 -0.35 -0.20 0.00 -0.13 0.00 0.00 59.36 58.17 2wu1 h GLU 497 Cb 1.28 -0.08 -0.26 0.00 0.63 0.00 0.00 28.75 30.33 2wu1 h GLU 497 CO 0.57 1.03 -0.68 -2.00 -0.73 0.00 0.00 179.01 177.20 2wu1 s GLU 498 N -4.93 0.13 -0.10 1.92 2.12 -0.94 -4.57 118.70 112.32 2wu1 s GLU 498 Ca -0.12 -0.14 0.02 0.00 0.36 0.00 0.00 54.97 55.10 2wu1 s GLU 498 Cb 0.13 0.05 0.01 0.00 0.26 0.00 0.00 34.13 34.58 2wu1 s GLU 498 CO 0.85 -0.02 -0.18 0.08 -0.54 0.00 0.00 175.26 175.45 2wu1 s VAL 499 N -0.42 1.63 -0.19 3.70 1.01 -0.65 -0.42 120.40 125.07 2wu1 s VAL 499 Ca -0.05 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.20 2wu1 s VAL 499 Cb -0.03 -1.46 0.03 0.00 0.00 0.00 0.00 36.38 34.92 2wu1 s VAL 499 CO -0.00 0.47 -0.13 -0.32 0.00 0.00 0.00 175.10 175.11 2wu1 s MET 500 N 0.74 2.30 -0.14 2.72 0.00 0.09 -0.23 119.30 124.77 2wu1 s MET 500 Ca -0.11 -0.80 -0.04 0.00 0.00 0.00 0.00 55.69 54.73 2wu1 s MET 500 Cb -0.16 -2.40 -0.03 0.00 0.00 0.00 0.00 34.83 32.24 2wu1 s MET 500 CO 0.02 -0.35 0.01 0.42 0.00 0.00 0.00 175.02 175.13 2wu1 s ILE 501 N 1.38 4.38 -0.18 10.11 -1.09 0.18 -1.35 121.20 134.63 2wu1 s ILE 501 Ca 0.01 -0.20 -0.10 0.00 -2.23 0.00 0.00 60.65 58.13 2wu1 s ILE 501 Cb -0.15 -2.91 -0.05 0.00 -1.58 0.00 0.00 42.46 37.77 2wu1 s ILE 501 CO -0.10 0.53 0.15 -0.76 -1.23 0.00 0.00 174.94 173.54 2wu1 s LEU 502 N -0.15 4.24 -0.19 2.97 1.02 0.08 -0.69 118.68 125.97 2wu1 s LEU 502 Ca 0.05 0.31 -0.00 0.00 0.02 0.00 0.00 54.13 54.50 2wu1 s LEU 502 Cb -0.12 -2.12 0.05 0.00 0.02 0.00 0.00 46.19 44.01 2wu1 s LEU 502 CO 0.02 0.21 -0.05 -0.69 0.02 0.00 0.00 176.35 175.85 2wu1 s VAL 503 N 0.14 1.26 -0.05 -1.59 1.01 0.60 -4.10 120.40 117.67 2wu1 s VAL 503 Ca 0.10 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.27 2wu1 s VAL 503 Cb -0.11 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.81 2wu1 s VAL 503 CO -0.00 0.05 -0.10 -0.76 0.00 0.00 0.00 175.10 174.29 2wu1 s LEU 504 N 1.55 1.62 0.00 3.92 1.43 -1.26 -2.25 118.68 123.69 2wu1 s LEU 504 Ca -0.01 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 2wu1 s LEU 504 Cb -0.16 -0.65 0.00 0.00 0.03 0.00 0.00 46.19 45.40 2wu1 s LEU 504 CO -0.07 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.14 2wu1 n GLY 505 N 3.68 1.57 0.26 -3.19 0.00 -1.26 -4.54 105.19 101.71 2wu1 n GLY 505 Ca -0.22 -1.74 0.14 0.00 0.00 0.00 0.00 46.02 44.20 2wu1 n GLY 505 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wu1 h SER 506 N 0.00 0.00 0.25 1.61 4.64 -1.95 -2.29 113.55 115.82 2wu1 h SER 506 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wu1 h SER 506 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2wu1 h SER 506 CO 0.00 0.10 0.00 0.00 -0.87 0.00 0.00 176.83 176.06 2wu1 n GLN 507 N -3.34 0.11 -0.15 4.77 1.13 -1.26 -2.07 117.38 116.57 2wu1 n GLN 507 Ca -0.01 0.50 0.10 0.00 -1.94 0.00 0.00 57.00 55.65 2wu1 n GLN 507 Cb 0.30 -1.78 0.17 0.00 0.11 0.00 0.00 30.24 29.03 2wu1 n GLN 507 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2wu1 n LYS 508 N -2.00 2.20 -0.21 -1.09 4.76 -0.86 -4.63 118.16 116.34 2wu1 n LYS 508 Ca 0.00 -2.03 -0.06 0.00 -2.87 0.00 0.00 58.31 53.35 2wu1 n LYS 508 Cb 0.10 -1.41 0.10 0.00 -1.84 0.00 0.00 35.03 31.97 2wu1 n LYS 508 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wu1 h ALA 509 N 3.62 1.03 -0.23 7.82 0.00 -1.56 -0.62 119.26 129.32 2wu1 h ALA 509 Ca 0.00 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 2wu1 h ALA 509 Cb 0.85 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2wu1 h ALA 509 CO 0.00 0.63 -0.53 -0.07 0.00 0.00 0.00 179.25 179.28 2wu1 h LEU 510 N 0.97 0.72 -0.74 0.00 3.38 -1.82 -1.72 115.31 116.10 2wu1 h LEU 510 Ca 0.20 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 2wu1 h LEU 510 Cb 0.38 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2wu1 h LEU 510 CO 0.00 1.11 0.30 0.00 0.09 0.00 0.00 178.44 179.95 2wu1 h ALA 511 N 0.91 0.97 -0.38 1.53 0.00 -1.62 -1.12 119.26 119.54 2wu1 h ALA 511 Ca 0.02 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 2wu1 h ALA 511 Cb 1.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2wu1 h ALA 511 CO 0.11 0.58 -0.27 1.25 0.00 0.00 0.00 179.25 180.92 2wu1 h LEU 512 N 1.07 0.82 -0.66 0.00 5.85 -1.00 -0.97 115.31 120.43 2wu1 h LEU 512 Ca 0.25 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 2wu1 h LEU 512 Cb 0.21 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2wu1 h LEU 512 CO -0.02 1.05 0.17 -0.61 -0.34 0.00 0.00 178.44 178.68 2wu1 h GLN 513 N 0.68 1.05 -0.56 1.25 -0.00 -1.08 0.39 115.11 116.85 2wu1 h GLN 513 Ca 0.08 -0.25 -0.10 0.00 -0.00 0.00 0.00 58.65 58.38 2wu1 h GLN 513 Cb 0.80 -0.14 -0.02 0.00 0.00 0.00 0.00 27.48 28.12 2wu1 h GLN 513 CO 0.07 0.94 -0.04 0.00 0.00 0.00 0.00 178.83 179.79 2wu1 h ALA 514 N 1.07 0.86 -0.49 3.38 0.00 -0.97 0.27 119.26 123.38 2wu1 h ALA 514 Ca 0.21 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 2wu1 h ALA 514 Cb 0.35 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2wu1 h ALA 514 CO 0.00 0.66 -0.17 0.00 0.00 0.00 0.00 179.25 179.74 2wu1 h ALA 515 N 1.03 0.76 0.07 0.00 0.00 -0.83 -2.47 119.26 117.82 2wu1 h ALA 515 Ca 0.16 -0.37 -0.35 0.00 0.00 0.00 0.00 54.91 54.35 2wu1 h ALA 515 Cb 0.59 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2wu1 h ALA 515 CO 0.04 0.67 -1.95 0.28 0.00 0.00 0.00 179.25 178.28 2wu1 n VAL 516 N -4.13 1.68 0.34 0.00 0.31 0.10 -4.61 118.33 112.02 2wu1 n VAL 516 Ca 0.01 -0.50 0.04 0.00 -0.01 0.00 0.00 64.34 63.88 2wu1 n VAL 516 Cb 0.43 -1.76 -0.04 0.00 -0.91 0.00 0.00 33.84 31.55 2wu1 n VAL 516 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2wu1 n GLU 517 N -3.70 4.22 -1.86 5.55 1.02 0.89 -5.02 120.64 121.75 2wu1 n GLU 517 Ca -0.35 -0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.54 2wu1 n GLU 517 Cb 0.95 -0.88 0.16 0.00 -0.02 0.00 0.00 31.44 31.65 2wu1 n GLU 517 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wu1 n GLY 518 N 1.23 -0.80 3.96 0.62 0.00 -0.87 -4.98 105.19 104.36 2wu1 n GLY 518 Ca 0.01 -1.80 -0.22 0.00 0.00 0.00 0.00 46.02 44.00 2wu1 n GLY 518 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wu1 s VAL 520 N -2.26 4.01 -0.06 0.00 0.11 -1.26 -4.91 120.40 116.04 2wu1 s VAL 520 Ca 0.40 1.48 -0.29 0.00 -2.93 0.00 0.00 61.98 60.64 2wu1 s VAL 520 Cb -0.09 -3.95 0.10 0.00 -1.53 0.00 0.00 36.38 30.90 2wu1 s VAL 520 CO 0.34 0.13 0.82 0.54 -3.33 0.00 0.00 175.10 173.60 2wu1 s ASN 521 N 0.90 -0.50 0.00 3.54 2.20 -1.26 -5.05 114.94 114.77 2wu1 s ASN 521 Ca 0.57 0.42 0.30 0.00 -0.94 0.00 0.00 52.86 53.21 2wu1 s ASN 521 Cb -0.29 0.44 1.50 0.00 -2.00 0.00 0.00 41.25 40.90 2wu1 s ASN 521 CO 0.30 -0.56 2.00 0.00 -2.94 0.00 0.00 177.10 175.91 2wu1 n HIS 522 N 0.52 0.00 0.06 1.54 1.44 -1.26 -3.52 115.22 114.00 2wu1 n HIS 522 Ca -0.14 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.41 2wu1 n HIS 522 Cb 0.59 -0.03 -0.07 0.00 0.12 0.00 0.00 29.99 30.61 2wu1 n HIS 522 CO 0.00 0.00 0.00 0.52 -2.81 0.00 0.00 176.34 174.05 2wu1 h MET 523 N 0.94 0.52 -3.38 -1.40 2.86 -1.91 0.56 114.93 113.13 2wu1 h MET 523 Ca 0.00 -0.56 -0.69 0.00 -2.06 0.00 0.00 59.70 56.39 2wu1 h MET 523 Cb 0.23 0.16 -0.36 0.00 0.06 0.00 0.00 31.60 31.69 2wu1 h MET 523 CO 0.00 1.19 -0.27 -1.58 1.06 0.00 0.00 176.91 177.32 2wu1 s TRP 524 N -3.29 3.65 0.58 -0.22 0.52 -1.23 -4.11 118.94 114.84 2wu1 s TRP 524 Ca -0.07 -2.96 0.30 0.00 0.02 0.00 0.00 56.10 53.39 2wu1 s TRP 524 Cb 0.08 -3.15 1.83 0.00 -1.15 0.00 0.00 33.47 31.08 2wu1 s TRP 524 CO 0.89 -0.75 2.25 1.79 0.02 0.00 0.00 176.95 181.15 2wu1 h THR 525 N 4.59 0.50 -0.32 2.01 1.35 -1.70 0.13 112.91 119.46 2wu1 h THR 525 Ca 0.09 -0.04 0.09 0.00 -0.55 0.00 0.00 66.41 66.00 2wu1 h THR 525 Cb 0.86 1.03 -0.01 0.00 -1.73 0.00 0.00 68.15 68.29 2wu1 h THR 525 CO 0.78 0.01 0.37 -0.29 -0.25 0.00 0.00 175.52 176.14 2wu1 h ILE 526 N 0.00 0.38 0.00 6.82 6.09 -1.36 0.09 117.51 129.54 2wu1 h ILE 526 Ca -0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 2wu1 h ILE 526 Cb 0.03 0.70 0.00 0.00 0.47 0.00 0.00 36.82 38.02 2wu1 h ILE 526 CO 0.00 0.00 0.00 -1.54 -3.07 0.00 0.00 178.15 173.54 2wu1 n SER 527 N -3.69 0.28 0.32 2.19 3.41 0.44 -2.31 113.62 114.27 2wu1 n SER 527 Ca 0.05 0.61 0.21 0.00 -0.26 0.00 0.00 58.87 59.49 2wu1 n SER 527 Cb 0.53 -0.66 1.07 0.00 -0.26 0.00 0.00 64.21 64.89 2wu1 n SER 527 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wu1 h LEU 529 N 0.00 0.00 -1.94 0.00 3.38 -1.69 -0.87 115.31 114.18 2wu1 h LEU 529 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wu1 h LEU 529 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2wu1 h LEU 529 CO 0.00 0.00 0.00 1.56 0.09 0.00 0.00 178.44 180.09 2wu1 h GLN 530 N 0.00 0.00 -0.01 1.13 4.20 -1.76 -2.26 115.11 116.41 2wu1 h GLN 530 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2wu1 h GLN 530 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 2wu1 h GLN 530 CO 0.00 0.00 -0.51 1.28 -0.67 0.00 0.00 178.83 178.93 2wu1 n LEU 531 N -2.93 1.16 -4.80 1.46 4.77 -0.33 -4.93 117.00 111.40 2wu1 n LEU 531 Ca -0.01 -0.38 -0.38 0.00 -0.03 0.00 0.00 56.01 55.22 2wu1 n LEU 531 Cb 0.19 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 2wu1 n LEU 531 CO 0.22 0.24 0.11 -2.28 -1.33 0.00 0.00 177.39 174.35 2wu1 s HIS 532 N -2.70 3.66 0.03 -1.77 2.46 -0.85 -4.97 115.29 111.15 2wu1 s HIS 532 Ca 0.17 0.94 0.32 0.00 0.47 0.00 0.00 55.06 56.96 2wu1 s HIS 532 Cb 0.18 -2.36 1.41 0.00 -0.13 0.00 0.00 32.58 31.68 2wu1 s HIS 532 CO 0.64 0.50 1.96 -1.35 -2.47 0.00 0.00 174.74 174.03 2wu1 h PRO 533 N 5.32 0.00 -1.57 2.88 0.11 -1.91 -3.38 132.00 133.45 2wu1 h PRO 533 Ca -0.48 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.15 2wu1 h PRO 533 Cb 1.21 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.98 2wu1 h PRO 533 CO 0.66 0.00 -0.98 1.63 -0.21 0.00 0.00 178.00 179.10 2wu1 n LYS 534 N -2.88 0.75 -4.57 1.05 5.02 -1.26 -4.95 118.16 111.32 2wu1 n LYS 534 Ca 0.00 -2.92 -0.34 0.00 -2.02 0.00 0.00 58.31 53.04 2wu1 n LYS 534 Cb 0.25 -1.30 -0.11 0.00 -0.02 0.00 0.00 35.03 33.86 2wu1 n LYS 534 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wu1 s ALA 535 N -0.88 3.01 -0.06 7.82 0.00 -1.26 -1.63 121.76 128.75 2wu1 s ALA 535 Ca 0.35 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.41 2wu1 s ALA 535 Cb 0.20 -1.23 0.01 0.00 0.00 0.00 0.00 23.12 22.11 2wu1 s ALA 535 CO -0.13 0.58 -0.11 0.42 0.00 0.00 0.00 175.76 176.52 2wu1 s ILE 536 N -0.86 1.03 -0.14 0.00 1.01 0.68 -1.54 121.20 121.38 2wu1 s ILE 536 Ca 0.14 -0.42 -0.02 0.00 0.00 0.00 0.00 60.65 60.35 2wu1 s ILE 536 Cb -0.11 -0.95 -0.02 0.00 0.01 0.00 0.00 42.46 41.39 2wu1 s ILE 536 CO 0.03 0.33 -0.08 -0.04 0.00 0.00 0.00 174.94 175.18 2wu1 s MET 537 N 0.70 3.47 -0.22 2.79 -1.94 -0.01 -0.65 119.30 123.43 2wu1 s MET 537 Ca -0.14 -0.59 -0.02 0.00 -1.71 0.00 0.00 55.69 53.22 2wu1 s MET 537 Cb -0.16 -2.77 0.01 0.00 2.01 0.00 0.00 34.83 33.93 2wu1 s MET 537 CO 0.03 0.27 -0.07 0.08 -0.01 0.00 0.00 175.02 175.32 2wu1 s VAL 538 N 0.24 3.00 0.01 -6.03 1.01 0.13 0.18 120.40 118.93 2wu1 s VAL 538 Ca -0.05 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.26 2wu1 s VAL 538 Cb -0.15 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 2wu1 s VAL 538 CO 0.04 0.37 -0.19 0.00 0.00 0.00 0.00 175.10 175.32 2wu1 s ASP 540 N -0.76 3.89 0.01 0.00 -4.77 -0.95 -0.13 116.67 113.97 2wu1 s ASP 540 Ca 0.07 -0.29 -0.23 0.00 -3.30 0.00 0.00 52.55 48.80 2wu1 s ASP 540 Cb -0.08 0.07 -0.17 0.00 -1.09 0.00 0.00 42.92 41.65 2wu1 s ASP 540 CO 0.00 -2.18 1.33 -0.08 0.70 0.00 0.00 175.17 174.94 2wu1 h GLU 541 N -0.88 0.18 0.00 2.11 4.81 -0.59 -3.18 114.58 117.03 2wu1 h GLU 541 Ca -0.37 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 2wu1 h GLU 541 Cb 1.25 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 2wu1 h GLU 541 CO 0.37 0.59 -0.06 -1.35 -0.73 0.00 0.00 179.01 177.83 2wu1 h PRO 542 N -0.23 0.00 0.00 0.92 0.11 -1.90 -1.56 132.00 129.35 2wu1 h PRO 542 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2wu1 h PRO 542 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 2wu1 h PRO 542 CO 0.02 0.06 0.00 -1.13 -0.21 0.00 0.00 178.00 176.74 2wu1 n SER 543 N -4.14 0.36 -1.09 -2.05 3.41 -1.20 -3.09 113.62 105.83 2wu1 n SER 543 Ca -0.03 0.58 0.12 0.00 -0.26 0.00 0.00 58.87 59.28 2wu1 n SER 543 Cb 0.14 -0.66 0.23 0.00 -0.26 0.00 0.00 64.21 63.67 2wu1 n SER 543 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2wu1 n THR 544 N -1.89 0.47 0.30 6.66 -2.24 -0.59 -4.18 114.28 112.80 2wu1 n THR 544 Ca 0.03 -0.70 0.17 0.00 -2.27 0.00 0.00 64.05 61.28 2wu1 n THR 544 Cb 0.23 0.91 0.91 0.00 -2.10 0.00 0.00 70.33 70.28 2wu1 n THR 544 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 2wu1 h MET 545 N 4.21 0.00 -0.02 -0.78 2.86 -1.67 -2.75 114.93 116.78 2wu1 h MET 545 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2wu1 h MET 545 Cb 0.93 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.59 2wu1 h MET 545 CO 0.00 0.04 -0.09 0.39 1.06 0.00 0.00 176.91 178.32 2wu1 n GLU 546 N -3.49 1.96 -1.76 1.72 -0.58 -1.26 -4.95 120.64 112.28 2wu1 n GLU 546 Ca -0.02 -1.53 -0.32 0.00 -0.42 0.00 0.00 57.16 54.87 2wu1 n GLU 546 Cb 0.16 -1.47 0.03 0.00 -0.57 0.00 0.00 31.44 29.59 2wu1 n GLU 546 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2wu1 s LEU 547 N -2.10 3.27 0.60 -4.62 1.43 -1.04 -4.91 118.68 111.31 2wu1 s LEU 547 Ca 0.28 1.68 -0.17 0.00 -1.03 0.00 0.00 54.13 54.89 2wu1 s LEU 547 Cb 0.20 -4.51 -0.03 0.00 0.03 0.00 0.00 46.19 41.88 2wu1 s LEU 547 CO 0.36 -1.32 1.12 -0.54 0.23 0.00 0.00 176.35 176.19 2wu1 s LYS 548 N -4.68 3.08 0.20 1.70 1.02 -1.26 -4.93 119.74 114.86 2wu1 s LYS 548 Ca 0.60 1.49 -0.10 0.00 0.02 0.00 0.00 55.97 57.98 2wu1 s LYS 548 Cb -0.15 -1.98 0.21 0.00 -0.52 0.00 0.00 37.83 35.40 2wu1 s LYS 548 CO 0.48 -1.04 1.80 0.28 -0.92 0.00 0.00 175.35 175.94 2wu1 h VAL 549 N 0.60 0.95 -0.25 3.17 2.07 -1.97 -2.45 116.25 118.37 2wu1 h VAL 549 Ca -0.48 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 66.76 2wu1 h VAL 549 Cb 1.25 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2wu1 h VAL 549 CO 0.55 0.11 -0.13 0.07 0.02 0.00 0.00 177.57 178.20 2wu1 h LYS 550 N 0.62 0.42 -0.21 1.57 2.10 -1.99 -0.72 116.57 118.36 2wu1 h LYS 550 Ca 0.28 -0.12 -0.03 0.00 -2.00 0.00 0.00 60.65 58.78 2wu1 h LYS 550 Cb 0.18 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.46 2wu1 h LYS 550 CO -0.18 0.55 0.01 1.15 -2.00 0.00 0.00 179.45 178.98 2wu1 h THR 551 N 0.39 1.25 -0.50 0.07 2.02 -1.83 -1.81 112.91 112.50 2wu1 h THR 551 Ca 0.07 -0.83 -0.12 0.00 0.77 0.00 0.00 66.41 66.30 2wu1 h THR 551 Cb 0.47 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 2wu1 h THR 551 CO 0.03 0.26 -0.16 0.25 0.37 0.00 0.00 175.52 176.26 2wu1 h LEU 552 N 0.13 0.98 -0.39 2.58 5.85 -1.23 -2.68 115.31 120.55 2wu1 h LEU 552 Ca 0.06 -0.34 0.06 0.00 0.84 0.00 0.00 57.88 58.50 2wu1 h LEU 552 Cb 0.37 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 2wu1 h LEU 552 CO 0.01 1.12 0.08 -0.09 -0.34 0.00 0.00 178.44 179.22 2wu1 h ARG 553 N 0.85 0.21 0.07 1.25 1.12 -1.10 -0.20 114.38 116.58 2wu1 h ARG 553 Ca 0.12 -0.01 0.01 0.00 -1.11 0.00 0.00 59.98 58.99 2wu1 h ARG 553 Cb 0.72 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.61 2wu1 h ARG 553 CO 0.06 0.14 -0.14 -0.92 -3.11 0.00 0.00 179.97 176.00 2wu1 h TYR 554 N 0.22 -0.35 -0.12 2.20 3.20 -1.13 -2.04 116.97 118.95 2wu1 h TYR 554 Ca 0.19 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.98 2wu1 h TYR 554 Cb 0.22 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 2wu1 h TYR 554 CO -0.19 -0.21 -0.29 0.74 -1.64 0.00 0.00 178.16 176.57 2wu1 h PHE 555 N -0.26 0.25 -0.86 -3.82 0.04 -1.20 -2.27 116.94 108.81 2wu1 h PHE 555 Ca 0.03 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 2wu1 h PHE 555 Cb 0.29 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.33 2wu1 h PHE 555 CO -0.16 0.50 0.45 -0.91 -0.60 0.00 0.00 178.31 177.59 2wu1 h ASN 556 N 0.20 1.09 -0.10 2.17 2.35 -0.78 -2.12 115.58 118.40 2wu1 h ASN 556 Ca 0.03 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 2wu1 h ASN 556 Cb 0.62 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 2wu1 h ASN 556 CO 0.05 0.89 0.01 -0.33 -1.65 0.00 0.00 177.43 176.39 2wu1 h GLU 557 N 1.21 0.17 -0.85 0.81 5.08 -1.07 -1.78 114.58 118.14 2wu1 h GLU 557 Ca 0.30 -0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.72 2wu1 h GLU 557 Cb 0.06 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.21 2wu1 h GLU 557 CO -0.04 0.41 0.48 -0.07 -1.00 0.00 0.00 179.01 178.79 2wu1 h LEU 558 N -0.10 0.66 -2.61 1.33 3.38 -1.33 -3.19 115.31 113.46 2wu1 h LEU 558 Ca 0.03 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2wu1 h LEU 558 Cb 0.33 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2wu1 h LEU 558 CO 0.00 0.35 0.00 -0.62 0.09 0.00 0.00 178.44 178.26 2wu1 n GLU 559 N -4.77 2.47 -0.15 1.13 -0.58 -0.81 -4.65 120.64 113.29 2wu1 n GLU 559 Ca 0.15 -1.97 -0.05 0.00 -0.42 0.00 0.00 57.16 54.88 2wu1 n GLU 559 Cb 0.34 -1.30 0.02 0.00 -0.57 0.00 0.00 31.44 29.93 2wu1 n GLU 559 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wu1 h ALA 560 N 2.35 0.11 0.00 0.62 0.00 -1.30 -1.52 119.26 119.51 2wu1 h ALA 560 Ca 0.00 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 2wu1 h ALA 560 Cb 0.72 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2wu1 h ALA 560 CO 0.00 -0.57 -0.39 0.93 0.00 0.00 0.00 179.25 179.22 2wu1 h GLU 561 N -0.12 0.00 -0.02 0.00 4.39 -1.85 -3.12 114.58 113.86 2wu1 h GLU 561 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 2wu1 h GLU 561 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2wu1 h GLU 561 CO -0.55 0.39 0.00 0.09 -1.16 0.00 0.00 179.01 177.78 2wu1 n ASN 562 N -3.62 0.30 0.00 1.42 5.03 -0.59 -3.48 115.26 114.32 2wu1 n ASN 562 Ca -0.01 -1.38 0.00 0.00 0.87 0.00 0.00 54.58 54.06 2wu1 n ASN 562 Cb 0.50 -0.01 0.00 0.00 -1.02 0.00 0.00 39.78 39.25 2wu1 n ASN 562 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 2wu1 n ILE 563 N -0.63 0.33 0.16 2.41 -5.35 -1.09 -4.80 119.36 110.39 2wu1 n ILE 563 Ca 0.16 -0.43 0.02 0.00 -0.27 0.00 0.00 62.75 62.24 2wu1 n ILE 563 Cb 0.12 1.01 0.25 0.00 -1.74 0.00 0.00 39.64 39.28 2wu1 n ILE 563 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 2wu1 h LYS 564 N 0.00 0.00 -1.10 6.28 1.57 -1.59 -3.18 116.57 118.56 2wu1 h LYS 564 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wu1 h LYS 564 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2wu1 h LYS 564 CO 0.00 0.50 0.00 0.41 -0.57 0.00 0.00 179.45 179.79 2wu1 n GLY 565 N 0.29 1.58 0.00 3.86 0.00 -1.26 -5.17 105.19 104.48 2wu1 n GLY 565 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2wu1 n GLY 565 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36