#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u59 n LYS 329 N 0.00 2.45 -0.10 1.97 4.01 -1.26 -4.33 118.16 120.90 1u59 n LYS 329 Ca 0.00 -1.54 0.01 0.00 -0.51 0.00 0.00 58.31 56.27 1u59 n LYS 329 Cb 0.00 -1.59 0.05 0.00 -0.51 0.00 0.00 35.03 32.98 1u59 n LYS 329 CO 0.00 0.00 0.00 1.47 -1.11 0.00 0.00 177.40 177.76 1u59 n LEU 330 N 0.51 1.45 -4.85 -0.35 -0.00 -1.26 -4.88 117.00 107.62 1u59 n LEU 330 Ca 0.14 -0.73 -0.37 0.00 -0.00 0.00 0.00 56.01 55.05 1u59 n LEU 330 Cb 0.53 -0.46 -0.06 0.00 -0.00 0.00 0.00 43.42 43.43 1u59 n LEU 330 CO 0.13 0.27 0.09 -0.36 -0.00 0.00 0.00 177.39 177.52 1u59 s PHE 331 N -1.31 3.68 0.19 1.47 0.08 -1.26 0.00 117.98 120.84 1u59 s PHE 331 Ca 0.07 0.92 0.08 0.00 0.12 0.00 0.00 56.93 58.12 1u59 s PHE 331 Cb 0.05 -2.24 -0.04 0.00 -0.57 0.00 0.00 43.02 40.22 1u59 s PHE 331 CO 0.02 0.61 -0.05 -0.51 -0.10 0.00 0.00 175.22 175.19 1u59 s LEU 332 N -1.34 3.12 -0.30 -0.37 1.43 0.43 -4.86 118.68 116.79 1u59 s LEU 332 Ca 0.26 -0.53 -0.28 0.00 -1.03 0.00 0.00 54.13 52.56 1u59 s LEU 332 Cb -0.16 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.30 1u59 s LEU 332 CO 0.14 0.08 0.99 -0.54 0.23 0.00 0.00 176.35 177.26 1u59 s LYS 333 N -3.00 4.08 0.54 1.70 1.02 -1.26 -4.63 119.74 118.18 1u59 s LYS 333 Ca 0.27 1.00 0.36 0.00 0.02 0.00 0.00 55.97 57.61 1u59 s LYS 333 Cb -0.09 -3.72 1.53 0.00 -0.52 0.00 0.00 37.83 35.04 1u59 s LYS 333 CO 0.17 -0.79 1.81 -0.09 -0.92 0.00 0.00 175.35 175.53 1u59 h ARG 334 N 7.98 0.01 0.00 1.68 9.65 -1.94 0.86 114.38 132.62 1u59 h ARG 334 Ca -0.21 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.65 1u59 h ARG 334 Cb 1.07 -0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.64 1u59 h ARG 334 CO 0.98 0.01 -0.10 -0.44 2.80 0.00 0.00 179.97 183.22 1u59 h ASP 335 N 0.01 0.00 -0.05 -3.80 3.45 -2.02 -2.47 116.42 111.54 1u59 h ASP 335 Ca 0.56 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.02 1u59 h ASP 335 Cb 2.21 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.98 1u59 h ASP 335 CO -0.02 0.10 0.00 0.59 -1.57 0.00 0.00 179.24 178.34 1u59 n ASN 336 N -3.31 1.32 -4.24 6.45 4.13 0.30 -4.81 115.26 115.09 1u59 n ASN 336 Ca -0.00 -1.50 -0.35 0.00 1.68 0.00 0.00 54.58 54.41 1u59 n ASN 336 Cb 0.31 -0.03 -0.14 0.00 -1.54 0.00 0.00 39.78 38.38 1u59 n ASN 336 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1u59 s LEU 337 N -1.86 2.90 -0.27 3.41 2.96 -0.93 -0.90 118.68 124.00 1u59 s LEU 337 Ca 0.37 -0.61 -0.07 0.00 -0.22 0.00 0.00 54.13 53.60 1u59 s LEU 337 Cb 0.20 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 45.20 1u59 s LEU 337 CO 0.31 -0.06 0.08 -0.76 -1.32 0.00 0.00 176.35 174.60 1u59 s LEU 338 N 1.40 3.61 -0.34 -0.68 1.43 -0.20 -4.99 118.68 118.91 1u59 s LEU 338 Ca 0.04 -0.39 -0.13 0.00 -1.03 0.00 0.00 54.13 52.62 1u59 s LEU 338 Cb -0.15 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.14 1u59 s LEU 338 CO -0.05 -0.10 0.24 -0.63 0.23 0.00 0.00 176.35 176.05 1u59 s ILE 339 N 1.58 5.28 0.80 -0.59 1.01 -1.26 -1.09 121.20 126.94 1u59 s ILE 339 Ca 0.05 -0.20 -0.12 0.00 0.00 0.00 0.00 60.65 60.39 1u59 s ILE 339 Cb -0.16 -3.72 0.07 0.00 0.01 0.00 0.00 42.46 38.67 1u59 s ILE 339 CO 0.03 -0.01 1.14 0.00 0.00 0.00 0.00 174.94 176.11 1u59 s ALA 340 N 1.73 2.49 -0.47 9.38 0.00 -0.08 -4.93 121.76 129.89 1u59 s ALA 340 Ca 0.06 -0.51 -0.04 0.00 0.00 0.00 0.00 51.96 51.48 1u59 s ALA 340 Cb -0.17 -3.01 0.08 0.00 0.00 0.00 0.00 23.12 20.02 1u59 s ALA 340 CO 0.11 -1.68 2.70 -0.40 0.00 0.00 0.00 175.76 176.49 1u59 n ASP 341 N -3.35 6.53 -3.95 0.00 5.75 -1.26 -4.61 116.55 115.65 1u59 n ASP 341 Ca 0.07 -3.23 -0.28 0.00 -0.01 0.00 0.00 54.79 51.34 1u59 n ASP 341 Cb 0.59 -1.22 -0.17 0.00 -1.03 0.00 0.00 41.12 39.30 1u59 n ASP 341 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1u59 s ILE 342 N -2.40 1.24 -0.24 2.12 1.01 -1.26 -5.08 121.20 116.60 1u59 s ILE 342 Ca 0.57 -0.42 -0.09 0.00 0.00 0.00 0.00 60.65 60.71 1u59 s ILE 342 Cb 0.38 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 1u59 s ILE 342 CO -0.22 0.40 0.13 -0.70 0.00 0.00 0.00 174.94 174.55 1u59 s GLU 343 N 1.61 3.94 0.02 2.79 2.12 -1.26 -1.45 118.70 126.46 1u59 s GLU 343 Ca 0.05 -0.34 0.03 0.00 0.36 0.00 0.00 54.97 55.07 1u59 s GLU 343 Cb -0.13 -3.45 -0.25 0.00 0.26 0.00 0.00 34.13 30.56 1u59 s GLU 343 CO -0.09 0.00 0.90 -0.07 -0.54 0.00 0.00 175.26 175.46 1u59 h LEU 344 N 7.68 0.19 0.00 2.70 3.38 -1.08 -3.48 115.31 124.69 1u59 h LEU 344 Ca -0.37 -0.28 0.11 0.00 0.09 0.00 0.00 57.88 57.43 1u59 h LEU 344 Cb 1.17 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1u59 h LEU 344 CO 0.63 1.24 0.40 0.61 0.09 0.00 0.00 178.44 181.41 1u59 n GLY 345 N 1.57 0.82 0.00 0.83 0.00 -1.18 -5.01 105.19 102.23 1u59 n GLY 345 Ca -0.13 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1u59 n GLY 345 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u59 n GLY 347 N 0.00 0.92 0.31 0.00 0.00 -0.91 -4.84 105.19 100.66 1u59 n GLY 347 Ca 0.00 -2.07 -0.04 0.00 0.00 0.00 0.00 46.02 43.91 1u59 n GLY 347 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1u59 h ASN 348 N 0.00 0.86 0.00 1.61 7.08 -2.03 -2.55 115.58 120.55 1u59 h ASN 348 Ca 0.00 -0.17 0.00 0.00 -3.08 0.00 0.00 56.30 53.05 1u59 h ASN 348 Cb 0.00 -0.22 0.00 0.00 -2.08 0.00 0.00 38.32 36.02 1u59 h ASN 348 CO 0.00 0.85 0.09 2.19 -2.08 0.00 0.00 177.43 178.48 1u59 h PHE 349 N 0.86 0.00 0.00 4.14 -0.00 -1.96 -3.44 116.94 116.55 1u59 h PHE 349 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.15 1u59 h PHE 349 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.30 1u59 h PHE 349 CO 0.02 0.00 0.00 0.41 -0.00 0.00 0.00 178.31 178.74 1u59 n GLY 350 N -1.13 0.54 3.19 6.09 0.00 -0.96 -1.09 105.19 111.82 1u59 n GLY 350 Ca -0.03 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 1u59 n GLY 350 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u59 s SER 351 N -4.00 0.10 -0.19 1.61 1.04 -1.00 -2.14 113.70 109.11 1u59 s SER 351 Ca 0.00 -0.54 -0.06 0.00 0.48 0.00 0.00 55.95 55.83 1u59 s SER 351 Cb 0.00 0.31 -0.03 0.00 0.10 0.00 0.00 66.02 66.40 1u59 s SER 351 CO 0.00 -0.64 0.02 -0.69 0.98 0.00 0.00 173.24 172.90 1u59 s VAL 352 N -3.28 4.17 0.20 5.02 1.01 -0.61 -0.97 120.40 125.94 1u59 s VAL 352 Ca 0.00 -0.24 0.09 0.00 0.00 0.00 0.00 61.98 61.83 1u59 s VAL 352 Cb 0.02 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1u59 s VAL 352 CO -0.08 0.44 -0.17 -0.13 0.00 0.00 0.00 175.10 175.15 1u59 s ARG 353 N 0.82 1.37 0.13 2.72 0.52 0.88 -0.43 118.95 124.96 1u59 s ARG 353 Ca 0.01 -1.54 -0.05 0.00 -0.52 0.00 0.00 55.73 53.63 1u59 s ARG 353 Cb -0.14 -1.35 -0.05 0.00 0.52 0.00 0.00 34.95 33.93 1u59 s ARG 353 CO 0.02 0.25 0.37 -1.14 0.02 0.00 0.00 175.30 174.82 1u59 s GLN 354 N -3.23 3.61 0.00 3.54 0.74 -0.53 0.18 119.66 123.97 1u59 s GLN 354 Ca 0.21 -0.10 0.00 0.00 0.05 0.00 0.00 55.36 55.52 1u59 s GLN 354 Cb -0.04 -2.87 0.00 0.00 1.10 0.00 0.00 33.01 31.21 1u59 s GLN 354 CO 0.08 0.48 0.00 0.41 -0.55 0.00 0.00 175.29 175.71 1u59 n GLY 355 N 0.14 1.59 3.11 2.59 0.00 -0.36 -0.91 105.19 111.36 1u59 n GLY 355 Ca -0.03 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 1u59 n GLY 355 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1u59 s VAL 356 N -2.58 0.72 -0.02 1.61 -7.23 -0.25 -0.52 120.40 112.13 1u59 s VAL 356 Ca 0.00 -1.33 0.02 0.00 -1.81 0.00 0.00 61.98 58.86 1u59 s VAL 356 Cb 0.00 -0.95 0.00 0.00 0.56 0.00 0.00 36.38 35.99 1u59 s VAL 356 CO 0.00 -0.45 -0.07 -0.47 -0.31 0.00 0.00 175.10 173.80 1u59 s TYR 357 N -1.85 0.75 -0.01 2.82 5.04 -0.23 -1.03 117.35 122.84 1u59 s TYR 357 Ca -0.03 -0.17 -0.24 0.00 -2.44 0.00 0.00 57.07 54.18 1u59 s TYR 357 Cb -0.07 -0.55 -0.04 0.00 0.35 0.00 0.00 41.96 41.65 1u59 s TYR 357 CO -0.00 -0.08 0.75 1.03 -1.34 0.00 0.00 175.55 175.90 1u59 s ARG 358 N 0.24 4.46 0.00 4.97 0.52 -0.07 -1.28 118.95 127.78 1u59 s ARG 358 Ca -0.03 0.99 0.00 0.00 -0.52 0.00 0.00 55.73 56.17 1u59 s ARG 358 Cb -0.08 -3.41 0.00 0.00 0.52 0.00 0.00 34.95 31.98 1u59 s ARG 358 CO 0.00 0.16 0.00 1.63 0.02 0.00 0.00 175.30 177.11 1u59 n LYS 362 N 3.34 0.00 -3.68 3.54 5.02 -1.26 -4.97 118.16 120.14 1u59 n LYS 362 Ca -0.01 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.90 1u59 n LYS 362 Cb 0.51 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.43 1u59 n LYS 362 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1u59 s GLN 363 N 0.00 2.70 0.29 1.97 -0.21 -1.26 -5.07 119.66 118.08 1u59 s GLN 363 Ca 0.00 -2.59 -0.29 0.00 0.02 0.00 0.00 55.36 52.50 1u59 s GLN 363 Cb 0.00 -3.80 -0.10 0.00 1.00 0.00 0.00 33.01 30.11 1u59 s GLN 363 CO 0.00 -1.19 1.11 0.96 -2.12 0.00 0.00 175.29 174.05 1u59 s ILE 364 N -0.16 3.45 0.30 1.08 -4.36 -0.41 -4.70 121.20 116.41 1u59 s ILE 364 Ca 0.18 1.44 -0.29 0.00 -0.26 0.00 0.00 60.65 61.72 1u59 s ILE 364 Cb -0.19 -3.91 -0.10 0.00 1.25 0.00 0.00 42.46 39.52 1u59 s ILE 364 CO -0.04 0.33 1.18 -1.81 0.24 0.00 0.00 174.94 174.83 1u59 s ASP 365 N -0.89 7.05 0.06 4.36 1.01 -1.26 -1.06 116.67 125.94 1u59 s ASP 365 Ca 0.45 2.42 -0.02 0.00 0.71 0.00 0.00 52.55 56.12 1u59 s ASP 365 Cb -0.32 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 40.94 1u59 s ASP 365 CO 0.41 -0.31 -0.00 0.68 0.21 0.00 0.00 175.17 176.16 1u59 s VAL 366 N -1.17 0.21 -0.10 -1.27 -7.23 0.32 -3.24 120.40 107.92 1u59 s VAL 366 Ca 0.47 -1.75 -0.01 0.00 -1.81 0.00 0.00 61.98 58.88 1u59 s VAL 366 Cb -0.35 -1.52 -0.03 0.00 0.56 0.00 0.00 36.38 35.05 1u59 s VAL 366 CO 0.45 -0.95 -0.07 0.00 -0.31 0.00 0.00 175.10 174.23 1u59 s ALA 367 N -3.92 2.95 -0.22 1.32 0.00 0.12 -1.22 121.76 120.79 1u59 s ALA 367 Ca 0.07 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.19 1u59 s ALA 367 Cb 0.08 -1.33 0.04 0.00 0.00 0.00 0.00 23.12 21.90 1u59 s ALA 367 CO -0.10 0.42 -0.15 0.42 0.00 0.00 0.00 175.76 176.36 1u59 s ILE 368 N -0.31 2.04 -0.57 0.00 1.01 0.47 -1.55 121.20 122.29 1u59 s ILE 368 Ca 0.04 -1.24 -0.23 0.00 0.00 0.00 0.00 60.65 59.22 1u59 s ILE 368 Cb -0.13 -2.01 0.05 0.00 0.01 0.00 0.00 42.46 40.39 1u59 s ILE 368 CO 0.02 0.24 0.90 -0.75 0.00 0.00 0.00 174.94 175.36 1u59 s LYS 369 N 1.23 3.26 -0.31 2.79 2.20 0.15 -0.08 119.74 128.97 1u59 s LYS 369 Ca -0.02 -0.47 -0.11 0.00 -0.36 0.00 0.00 55.97 55.02 1u59 s LYS 369 Cb -0.16 -4.10 -0.02 0.00 -1.51 0.00 0.00 37.83 32.04 1u59 s LYS 369 CO -0.09 -1.52 0.19 0.08 -0.36 0.00 0.00 175.35 173.65 1u59 s VAL 370 N 3.79 4.99 0.45 4.02 1.01 -0.14 -0.66 120.40 133.86 1u59 s VAL 370 Ca 0.27 -0.21 -0.25 0.00 0.00 0.00 0.00 61.98 61.79 1u59 s VAL 370 Cb -0.14 -3.50 -0.08 0.00 0.00 0.00 0.00 36.38 32.65 1u59 s VAL 370 CO 0.16 0.09 1.40 -0.76 0.00 0.00 0.00 175.10 176.00 1u59 s LEU 371 N 1.68 4.12 0.67 3.92 1.43 -0.86 -2.39 118.68 127.25 1u59 s LEU 371 Ca 0.06 2.87 -0.17 0.00 -1.03 0.00 0.00 54.13 55.86 1u59 s LEU 371 Cb -0.17 -3.95 -0.06 0.00 0.03 0.00 0.00 46.19 42.04 1u59 s LEU 371 CO 0.09 -1.14 0.45 1.17 0.23 0.00 0.00 176.35 177.14 1u59 n LYS 372 N -0.19 0.34 -0.15 1.70 0.00 -0.25 -4.76 118.16 114.85 1u59 n LYS 372 Ca 0.05 0.15 -0.07 0.00 0.00 0.00 0.00 58.31 58.44 1u59 n LYS 372 Cb 0.42 -1.71 0.02 0.00 0.00 0.00 0.00 35.03 33.76 1u59 n LYS 372 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1u59 h GLN 373 N -0.18 0.58 -3.78 1.64 5.75 -1.92 -3.23 115.11 113.97 1u59 h GLN 373 Ca -0.45 -0.04 -0.76 0.00 -0.15 0.00 0.00 58.65 57.25 1u59 h GLN 373 Cb 1.37 -0.13 -0.18 0.00 1.07 0.00 0.00 27.48 29.60 1u59 h GLN 373 CO 0.43 0.39 1.60 0.41 -2.65 0.00 0.00 178.83 179.01 1u59 n GLY 374 N -1.23 4.40 3.98 2.39 0.00 -1.26 -4.98 105.19 108.49 1u59 n GLY 374 Ca 0.02 -2.17 -0.20 0.00 0.00 0.00 0.00 46.02 43.67 1u59 n GLY 374 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u59 s THR 375 N 0.23 3.47 0.16 2.61 2.01 -1.22 -5.13 115.64 117.77 1u59 s THR 375 Ca 0.39 -0.79 0.08 0.00 0.31 0.00 0.00 61.69 61.68 1u59 s THR 375 Cb 0.05 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 1u59 s THR 375 CO 0.01 -0.13 -0.17 -1.61 -0.69 0.00 0.00 174.62 172.03 1u59 s GLU 376 N -4.45 1.25 0.17 4.92 2.02 -1.26 -5.03 118.70 116.31 1u59 s GLU 376 Ca 0.51 -1.40 -0.23 0.00 0.02 0.00 0.00 54.97 53.87 1u59 s GLU 376 Cb -0.10 -1.27 0.04 0.00 0.10 0.00 0.00 34.13 32.91 1u59 s GLU 376 CO 0.35 0.25 1.37 0.36 0.02 0.00 0.00 175.26 177.61 1u59 n LYS 377 N 0.28 -0.32 -0.24 1.61 2.85 -1.26 -0.72 118.16 120.37 1u59 n LYS 377 Ca -0.13 1.35 -0.04 0.00 -1.05 0.00 0.00 58.31 58.44 1u59 n LYS 377 Cb 0.57 -1.99 0.02 0.00 -0.65 0.00 0.00 35.03 32.98 1u59 n LYS 377 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1u59 h ALA 378 N 0.74 0.03 -0.17 0.58 0.00 -1.99 0.35 119.26 118.81 1u59 h ALA 378 Ca 0.21 0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.24 1u59 h ALA 378 Cb 0.43 0.81 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1u59 h ALA 378 CO -0.85 -0.65 -0.19 -0.44 0.00 0.00 0.00 179.25 177.11 1u59 h ASP 379 N -0.12 0.27 0.80 0.00 3.32 -1.33 -1.18 116.42 118.18 1u59 h ASP 379 Ca 0.26 -0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.12 1u59 h ASP 379 Cb 0.56 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 1u59 h ASP 379 CO -0.74 0.49 -0.59 0.74 -1.72 0.00 0.00 179.24 177.42 1u59 h THR 380 N 0.26 1.27 -0.01 0.35 2.02 0.63 -2.61 112.91 114.82 1u59 h THR 380 Ca 0.05 -2.13 -0.25 0.00 0.77 0.00 0.00 66.41 64.84 1u59 h THR 380 Cb 0.50 2.20 0.02 0.00 -1.74 0.00 0.00 68.15 69.12 1u59 h THR 380 CO 0.03 0.58 -1.00 -0.33 0.37 0.00 0.00 175.52 175.17 1u59 h GLU 381 N 0.00 0.65 0.80 6.66 5.08 0.15 -2.62 114.58 125.30 1u59 h GLU 381 Ca -0.01 -0.68 -0.04 0.00 -1.00 0.00 0.00 59.36 57.63 1u59 h GLU 381 Cb 1.15 0.19 0.01 0.00 0.50 0.00 0.00 28.75 30.60 1u59 h GLU 381 CO 0.08 1.27 -0.39 0.93 -1.00 0.00 0.00 179.01 179.91 1u59 h GLU 382 N 0.38 -1.04 -0.99 2.33 5.08 -1.14 0.16 114.58 119.36 1u59 h GLU 382 Ca -0.11 0.07 0.14 0.00 -1.00 0.00 0.00 59.36 58.46 1u59 h GLU 382 Cb 1.64 0.24 -0.09 0.00 0.50 0.00 0.00 28.75 31.04 1u59 h GLU 382 CO 0.19 -0.69 0.62 1.98 -1.00 0.00 0.00 179.01 180.11 1u59 h MET 383 N -1.09 0.86 -0.48 2.33 4.05 -1.57 0.52 114.93 119.54 1u59 h MET 383 Ca -0.11 -0.05 -0.05 0.00 -0.28 0.00 0.00 59.70 59.21 1u59 h MET 383 Cb 0.83 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 31.41 1u59 h MET 383 CO 0.18 0.57 0.10 1.98 0.23 0.00 0.00 176.91 179.97 1u59 h MET 384 N 0.89 0.74 -0.13 0.39 -1.53 -1.05 0.55 114.93 114.78 1u59 h MET 384 Ca 0.51 -0.15 -0.16 0.00 -3.44 0.00 0.00 59.70 56.46 1u59 h MET 384 Cb 0.63 -0.11 0.01 0.00 -0.55 0.00 0.00 31.60 31.58 1u59 h MET 384 CO -0.28 0.68 -0.56 0.00 0.14 0.00 0.00 176.91 176.88 1u59 h ARG 385 N 0.71 0.61 -0.31 0.39 3.08 0.23 -2.22 114.38 116.87 1u59 h ARG 385 Ca 0.16 -0.48 0.05 0.00 0.07 0.00 0.00 59.98 59.78 1u59 h ARG 385 Cb 0.29 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.39 1u59 h ARG 385 CO -0.00 1.10 0.03 1.49 -1.07 0.00 0.00 179.97 181.53 1u59 h GLU 386 N 0.25 0.13 -0.99 0.04 4.81 0.52 0.19 114.58 119.53 1u59 h GLU 386 Ca -0.03 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.29 1u59 h GLU 386 Cb 1.20 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 30.47 1u59 h GLU 386 CO 0.12 0.09 0.63 0.00 -0.73 0.00 0.00 179.01 179.11 1u59 h ALA 387 N 1.25 1.51 -0.44 2.92 0.00 0.13 -1.76 119.26 122.87 1u59 h ALA 387 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1u59 h ALA 387 Cb 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1u59 h ALA 387 CO -0.22 0.29 -0.22 0.37 0.00 0.00 0.00 179.25 179.47 1u59 h GLN 388 N 1.04 0.90 -0.34 0.00 4.15 -0.54 -2.63 115.11 117.67 1u59 h GLN 388 Ca 0.46 -0.37 -0.08 0.00 0.77 0.00 0.00 58.65 59.43 1u59 h GLN 388 Cb 0.37 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 1u59 h GLN 388 CO -0.22 1.02 -0.08 0.82 -1.93 0.00 0.00 178.83 178.44 1u59 h ILE 389 N 0.78 1.28 -0.41 2.39 2.04 -0.21 -3.01 117.51 120.36 1u59 h ILE 389 Ca 0.10 -1.14 -0.03 0.00 1.00 0.00 0.00 64.86 64.79 1u59 h ILE 389 Cb 0.77 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 1u59 h ILE 389 CO 0.06 0.37 0.14 0.24 0.00 0.00 0.00 178.15 178.97 1u59 h MET 390 N 0.45 0.58 0.00 2.37 2.86 -1.33 -2.01 114.93 117.85 1u59 h MET 390 Ca 0.09 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1u59 h MET 390 Cb 0.59 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 1u59 h MET 390 CO 0.03 0.50 -0.05 1.25 1.06 0.00 0.00 176.91 179.70 1u59 h HIS 391 N 0.58 0.00 0.00 -0.22 6.17 -1.33 -1.66 115.15 118.69 1u59 h HIS 391 Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.22 1u59 h HIS 391 Cb 0.15 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.08 1u59 h HIS 391 CO 0.01 0.05 -0.03 1.96 0.71 0.00 0.00 177.93 180.63 1u59 h GLN 392 N 0.00 0.00 -5.54 5.26 4.20 -1.36 -3.45 115.11 114.21 1u59 h GLN 392 Ca -0.00 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.12 1u59 h GLN 392 Cb 0.09 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.76 1u59 h GLN 392 CO 0.01 0.00 -0.14 -0.51 -0.67 0.00 0.00 178.83 177.52 1u59 s LEU 393 N -4.64 4.19 -0.39 1.46 1.43 -0.62 -5.03 118.68 115.08 1u59 s LEU 393 Ca 0.10 0.64 0.01 0.00 -1.03 0.00 0.00 54.13 53.86 1u59 s LEU 393 Cb 0.12 -2.61 0.13 0.00 0.03 0.00 0.00 46.19 43.85 1u59 s LEU 393 CO 0.61 -0.08 0.20 -0.62 0.23 0.00 0.00 176.35 176.68 1u59 s ASP 394 N 0.94 3.68 -0.06 2.29 2.15 -1.26 -4.92 116.67 119.49 1u59 s ASP 394 Ca 0.22 -2.32 -0.18 0.00 0.43 0.00 0.00 52.55 50.71 1u59 s ASP 394 Cb -0.15 -0.92 0.04 0.00 -0.30 0.00 0.00 42.92 41.58 1u59 s ASP 394 CO 0.09 -0.31 0.41 0.21 -0.17 0.00 0.00 175.17 175.39 1u59 s ASN 395 N 0.77 -0.34 0.34 -0.34 2.47 -1.26 -5.06 114.94 111.52 1u59 s ASN 395 Ca 0.16 0.41 0.09 0.00 0.42 0.00 0.00 52.86 53.93 1u59 s ASN 395 Cb -0.22 0.51 0.63 0.00 -1.45 0.00 0.00 41.25 40.71 1u59 s ASN 395 CO -0.06 -0.39 1.81 -0.65 -3.72 0.00 0.00 177.10 174.09 1u59 h PRO 396 N 4.16 0.20 -0.99 0.43 0.11 -1.98 -3.20 132.00 130.72 1u59 h PRO 396 Ca -0.28 -0.07 -0.38 0.00 0.11 0.00 0.00 66.00 65.38 1u59 h PRO 396 Cb 1.17 -0.01 -0.23 0.00 0.11 0.00 0.00 31.00 32.04 1u59 h PRO 396 CO 0.35 0.48 0.48 0.66 -0.21 0.00 0.00 178.00 179.76 1u59 n TYR 397 N -4.14 2.29 -3.80 0.65 4.02 -1.26 -4.83 117.16 110.09 1u59 n TYR 397 Ca -0.01 -1.48 -0.14 0.00 -0.01 0.00 0.00 57.90 56.26 1u59 n TYR 397 Cb 0.38 -0.76 -0.15 0.00 -0.02 0.00 0.00 39.34 38.79 1u59 n TYR 397 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1u59 s ILE 398 N -2.48 -0.04 0.11 -0.72 1.01 -1.21 -0.94 121.20 116.94 1u59 s ILE 398 Ca 0.43 0.14 -0.31 0.00 0.00 0.00 0.00 60.65 60.91 1u59 s ILE 398 Cb 0.36 -0.09 -0.10 0.00 0.01 0.00 0.00 42.46 42.64 1u59 s ILE 398 CO 0.08 0.06 1.86 0.52 0.00 0.00 0.00 174.94 177.46 1u59 n VAL 399 N 3.82 0.42 -2.94 2.92 0.31 -0.04 -4.81 118.33 118.01 1u59 n VAL 399 Ca -0.23 -0.08 -0.35 0.00 -0.01 0.00 0.00 64.34 63.68 1u59 n VAL 399 Cb 0.53 -2.17 -0.06 0.00 -0.91 0.00 0.00 33.84 31.23 1u59 n VAL 399 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1u59 s ARG 400 N 2.97 4.32 -0.12 5.55 0.52 -1.26 -4.92 118.95 126.01 1u59 s ARG 400 Ca 0.83 1.04 -0.22 0.00 -0.52 0.00 0.00 55.73 56.86 1u59 s ARG 400 Cb -0.47 -2.64 -0.03 0.00 0.52 0.00 0.00 34.95 32.33 1u59 s ARG 400 CO 0.38 0.23 0.68 -1.17 0.02 0.00 0.00 175.30 175.44 1u59 s LEU 401 N -2.40 4.25 -0.04 2.53 2.96 -1.26 -0.83 118.68 123.89 1u59 s LEU 401 Ca 0.51 1.06 -0.09 0.00 -0.22 0.00 0.00 54.13 55.38 1u59 s LEU 401 Cb -0.15 -3.01 -0.30 0.00 0.50 0.00 0.00 46.19 43.23 1u59 s LEU 401 CO 0.20 -0.18 0.71 0.40 -1.32 0.00 0.00 176.35 176.15 1u59 h ILE 402 N 4.92 0.98 0.00 6.68 1.08 -0.75 -3.47 117.51 126.95 1u59 h ILE 402 Ca -0.37 -2.57 0.00 0.00 -0.39 0.00 0.00 64.86 61.53 1u59 h ILE 402 Cb 1.17 2.76 0.00 0.00 -3.07 0.00 0.00 36.82 37.69 1u59 h ILE 402 CO 0.77 0.85 0.00 0.61 -0.69 0.00 0.00 178.15 179.69 1u59 n GLY 403 N 1.82 -2.63 3.55 5.37 0.00 -0.90 -5.01 105.19 107.40 1u59 n GLY 403 Ca -0.23 -1.30 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 1u59 n GLY 403 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1u59 s VAL 404 N -2.17 3.26 -0.09 1.61 -7.23 0.10 -1.68 120.40 114.19 1u59 s VAL 404 Ca 0.00 -1.23 -0.01 0.00 -1.81 0.00 0.00 61.98 58.93 1u59 s VAL 404 Cb 0.00 -2.49 0.03 0.00 0.56 0.00 0.00 36.38 34.47 1u59 s VAL 404 CO 0.00 0.17 -0.05 0.00 -0.31 0.00 0.00 175.10 174.92 1u59 s GLN 406 N 1.72 2.68 0.00 0.00 0.74 -1.26 -1.36 119.66 122.18 1u59 s GLN 406 Ca 0.03 -1.55 0.00 0.00 0.05 0.00 0.00 55.36 53.89 1u59 s GLN 406 Cb -0.13 -3.94 0.00 0.00 1.10 0.00 0.00 33.01 30.04 1u59 s GLN 406 CO -0.06 -1.08 0.00 0.00 -0.55 0.00 0.00 175.29 173.60 1u59 n ALA 407 N 5.00 0.00 1.46 1.58 0.00 -1.26 -4.91 120.51 122.39 1u59 n ALA 407 Ca -0.10 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.43 1u59 n ALA 407 Cb 0.42 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.44 1u59 n ALA 407 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1u59 n GLU 408 N 0.00 0.73 -3.62 0.00 0.00 -1.26 -4.78 120.64 111.71 1u59 n GLU 408 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.13 1u59 n GLU 408 Cb 0.00 -1.41 -0.02 0.00 0.00 0.00 0.00 31.44 30.01 1u59 n GLU 408 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1u59 s ALA 409 N -2.00 -2.15 0.03 -1.84 0.00 -1.26 -5.04 121.76 109.50 1u59 s ALA 409 Ca 0.29 1.75 -0.30 0.00 0.00 0.00 0.00 51.96 53.69 1u59 s ALA 409 Cb 0.13 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 1u59 s ALA 409 CO 0.22 -0.58 1.03 -1.17 0.00 0.00 0.00 175.76 175.26 1u59 s LEU 410 N -2.11 4.38 -0.01 0.00 2.96 -1.26 -4.44 118.68 118.20 1u59 s LEU 410 Ca 0.11 1.75 0.01 0.00 -0.22 0.00 0.00 54.13 55.78 1u59 s LEU 410 Cb -0.01 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.12 1u59 s LEU 410 CO -0.03 -0.29 -0.02 -0.04 -1.32 0.00 0.00 176.35 174.65 1u59 s MET 411 N 0.90 0.30 -0.42 1.98 -1.94 -0.47 -2.03 119.30 117.63 1u59 s MET 411 Ca 0.53 -0.04 -0.15 0.00 -1.71 0.00 0.00 55.69 54.32 1u59 s MET 411 Cb -0.23 -0.37 0.03 0.00 2.01 0.00 0.00 34.83 36.27 1u59 s MET 411 CO 0.29 -0.02 0.32 -1.17 -0.01 0.00 0.00 175.02 174.43 1u59 s LEU 412 N 0.39 5.18 -0.28 -0.03 0.20 0.17 -1.17 118.68 123.14 1u59 s LEU 412 Ca -0.04 -0.96 -0.14 0.00 0.69 0.00 0.00 54.13 53.69 1u59 s LEU 412 Cb -0.07 -2.17 -0.04 0.00 -0.43 0.00 0.00 46.19 43.48 1u59 s LEU 412 CO -0.01 -0.49 0.32 -0.69 -0.29 0.00 0.00 176.35 175.20 1u59 s VAL 413 N 1.70 5.21 0.09 1.68 1.01 -0.68 -0.68 120.40 128.73 1u59 s VAL 413 Ca 0.05 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1u59 s VAL 413 Cb -0.20 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1u59 s VAL 413 CO 0.10 0.15 -0.03 0.00 0.00 0.00 0.00 175.10 175.32 1u59 s MET 414 N 1.98 0.79 0.77 2.72 0.23 -0.59 -0.01 119.30 125.18 1u59 s MET 414 Ca 0.12 -1.33 -0.15 0.00 -1.03 0.00 0.00 55.69 53.30 1u59 s MET 414 Cb -0.16 0.02 0.01 0.00 -1.53 0.00 0.00 34.83 33.16 1u59 s MET 414 CO 0.10 -0.10 0.76 -0.85 -2.03 0.00 0.00 175.02 172.90 1u59 n GLU 415 N -0.01 0.26 -3.70 3.16 0.28 -0.01 -0.71 120.64 119.91 1u59 n GLU 415 Ca -0.11 0.14 -0.37 0.00 -0.16 0.00 0.00 57.16 56.66 1u59 n GLU 415 Cb 0.62 -2.05 -0.06 0.00 1.43 0.00 0.00 31.44 31.37 1u59 n GLU 415 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 1u59 s MET 416 N -3.28 3.75 -0.56 3.44 -2.45 -1.20 -4.22 119.30 114.77 1u59 s MET 416 Ca 0.68 0.07 0.04 0.00 -1.25 0.00 0.00 55.69 55.23 1u59 s MET 416 Cb -0.32 -3.25 0.14 0.00 1.25 0.00 0.00 34.83 32.66 1u59 s MET 416 CO 0.56 0.65 0.34 0.00 1.05 0.00 0.00 175.02 177.61 1u59 s ALA 417 N -0.76 3.24 0.35 4.11 0.00 -1.26 -4.95 121.76 122.48 1u59 s ALA 417 Ca 0.18 -3.33 0.12 0.00 0.00 0.00 0.00 51.96 48.93 1u59 s ALA 417 Cb -0.14 -2.10 0.95 0.00 0.00 0.00 0.00 23.12 21.83 1u59 s ALA 417 CO 0.07 -2.05 1.75 0.78 0.00 0.00 0.00 175.76 176.31 1u59 h GLY 418 N 6.14 1.64 0.09 0.00 0.00 -1.78 -2.31 103.07 106.85 1u59 h GLY 418 Ca 0.02 -0.28 0.20 0.00 0.00 0.00 0.00 47.33 47.27 1u59 h GLY 418 CO 0.66 -0.18 0.61 -1.33 0.00 0.00 0.00 176.54 176.30 1u59 h GLY 419 N 0.53 1.65 0.00 4.60 0.00 -0.45 -3.48 103.07 105.92 1u59 h GLY 419 Ca 0.62 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1u59 h GLY 419 CO -0.40 -0.08 0.00 0.61 0.00 0.00 0.00 176.54 176.67 1u59 n GLY 420 N -1.36 -2.51 3.69 4.60 0.00 -0.87 -4.79 105.19 103.95 1u59 n GLY 420 Ca 0.24 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 1u59 n GLY 420 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1u59 n PRO 421 N -0.12 2.11 -0.18 1.61 -0.02 -1.26 -1.24 135.00 135.90 1u59 n PRO 421 Ca 0.00 0.74 -0.04 0.00 -2.02 0.00 0.00 63.50 62.18 1u59 n PRO 421 Cb 0.00 -2.34 0.06 0.00 -0.02 0.00 0.00 33.50 31.20 1u59 n PRO 421 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1u59 h LEU 422 N 2.93 0.42 -0.14 2.45 5.85 -0.60 -2.17 115.31 124.05 1u59 h LEU 422 Ca -0.46 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 1u59 h LEU 422 Cb 1.28 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 1u59 h LEU 422 CO 0.66 0.29 -0.01 1.12 -0.34 0.00 0.00 178.44 180.16 1u59 h HIS 423 N 0.56 0.27 0.00 1.25 2.07 -1.85 -1.68 115.15 115.77 1u59 h HIS 423 Ca 0.24 -0.05 -0.04 0.00 -2.85 0.00 0.00 60.37 57.66 1u59 h HIS 423 Cb 0.13 -0.07 -0.01 0.00 2.57 0.00 0.00 27.41 30.03 1u59 h HIS 423 CO -0.09 0.49 -0.21 0.87 -3.07 0.00 0.00 177.93 175.92 1u59 h LYS 424 N -0.02 0.00 -0.35 5.12 1.57 -1.90 -2.73 116.57 118.26 1u59 h LYS 424 Ca 0.04 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 1u59 h LYS 424 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1u59 h LYS 424 CO 0.01 0.21 -0.34 0.35 -0.57 0.00 0.00 179.45 179.11 1u59 h PHE 425 N 0.00 0.91 0.00 -1.35 3.57 -1.08 -3.23 116.94 115.76 1u59 h PHE 425 Ca -0.00 -0.25 0.00 0.00 3.53 0.00 0.00 57.97 61.25 1u59 h PHE 425 Cb 0.41 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1u59 h PHE 425 CO 0.00 1.01 -0.33 1.28 -2.23 0.00 0.00 178.31 178.04 1u59 n LEU 426 N -4.07 0.77 -4.67 0.59 4.77 -0.66 -4.83 117.00 108.91 1u59 n LEU 426 Ca -0.01 0.40 -0.47 0.00 -0.03 0.00 0.00 56.01 55.90 1u59 n LEU 426 Cb 0.50 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 41.30 1u59 n LEU 426 CO 0.46 -0.12 1.21 0.52 -1.33 0.00 0.00 177.39 178.13 1u59 n VAL 427 N -2.19 0.06 -2.92 4.08 0.31 -1.10 -2.11 118.33 114.46 1u59 n VAL 427 Ca 0.04 -0.01 -0.21 0.00 -0.01 0.00 0.00 64.34 64.15 1u59 n VAL 427 Cb 0.44 -1.53 0.02 0.00 -0.91 0.00 0.00 33.84 31.85 1u59 n VAL 427 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u59 n GLY 428 N 3.48 -0.51 0.86 2.92 0.00 -1.26 -4.89 105.19 105.78 1u59 n GLY 428 Ca 0.18 0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.34 1u59 n GLY 428 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u59 n LYS 429 N -3.69 0.78 0.30 1.61 5.02 -0.90 -4.81 118.16 116.47 1u59 n LYS 429 Ca -0.12 -2.47 0.17 0.00 -2.02 0.00 0.00 58.31 53.87 1u59 n LYS 429 Cb 0.62 -0.88 0.93 0.00 -0.02 0.00 0.00 35.03 35.68 1u59 n LYS 429 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1u59 h ARG 430 N 0.76 0.00 -0.02 1.97 2.43 -1.82 0.12 114.38 117.82 1u59 h ARG 430 Ca -0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1u59 h ARG 430 Cb 1.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.93 1u59 h ARG 430 CO 0.04 0.04 -0.19 0.39 -1.51 0.00 0.00 179.97 178.73 1u59 n GLU 431 N -3.47 1.68 -0.05 0.20 -0.58 -1.26 -4.36 120.64 112.79 1u59 n GLU 431 Ca -0.02 -1.30 -0.07 0.00 -0.42 0.00 0.00 57.16 55.35 1u59 n GLU 431 Cb 0.15 -1.47 -0.06 0.00 -0.57 0.00 0.00 31.44 29.49 1u59 n GLU 431 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1u59 n GLU 432 N 0.48 0.99 -3.89 3.49 2.13 -0.53 -4.90 120.64 118.41 1u59 n GLU 432 Ca 0.13 0.04 -0.34 0.00 0.66 0.00 0.00 57.16 57.65 1u59 n GLU 432 Cb 0.49 -1.22 -0.13 0.00 0.27 0.00 0.00 31.44 30.84 1u59 n GLU 432 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1u59 s ILE 433 N -2.22 2.82 0.95 6.31 1.01 0.31 -5.10 121.20 125.28 1u59 s ILE 433 Ca -0.12 -2.11 -0.12 0.00 0.00 0.00 0.00 60.65 58.31 1u59 s ILE 433 Cb 0.03 -2.96 0.16 0.00 0.01 0.00 0.00 42.46 39.71 1u59 s ILE 433 CO 0.29 -0.59 1.09 -2.16 0.00 0.00 0.00 174.94 173.57 1u59 s PRO 434 N 1.05 0.84 0.52 2.79 0.04 -1.26 -4.64 135.00 134.33 1u59 s PRO 434 Ca 0.08 0.87 0.18 0.00 0.04 0.00 0.00 61.00 62.17 1u59 s PRO 434 Cb -0.21 -1.76 1.28 0.00 0.04 0.00 0.00 34.50 33.86 1u59 s PRO 434 CO -0.06 -2.54 2.11 0.28 0.04 0.00 0.00 177.00 176.83 1u59 h VAL 435 N -1.77 0.94 -0.36 -0.36 2.07 -1.95 -0.65 116.25 114.16 1u59 h VAL 435 Ca -0.51 -0.01 -0.07 0.00 0.82 0.00 0.00 66.70 66.93 1u59 h VAL 435 Cb 1.29 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 1u59 h VAL 435 CO 0.53 0.00 -0.07 0.77 0.02 0.00 0.00 177.57 178.82 1u59 h SER 436 N 0.03 0.57 -0.01 0.57 4.64 -1.92 0.12 113.55 117.54 1u59 h SER 436 Ca 0.07 -0.14 -0.22 0.00 -0.47 0.00 0.00 61.79 61.04 1u59 h SER 436 Cb 0.26 -0.15 0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1u59 h SER 436 CO -0.00 0.69 -0.80 -1.13 -0.87 0.00 0.00 176.83 174.72 1u59 h ASN 437 N 0.55 0.81 -0.68 4.97 -0.00 -1.49 -2.06 115.58 117.68 1u59 h ASN 437 Ca 0.11 -0.55 -0.05 0.00 -0.00 0.00 0.00 56.30 55.81 1u59 h ASN 437 Cb 0.46 -0.24 -0.03 0.00 -0.00 0.00 0.00 38.32 38.51 1u59 h ASN 437 CO 0.02 1.33 0.24 0.58 -0.00 0.00 0.00 177.43 179.61 1u59 h VAL 438 N 0.45 1.25 0.00 2.57 2.07 -0.88 -1.58 116.25 120.12 1u59 h VAL 438 Ca -0.05 -0.82 -0.05 0.00 0.82 0.00 0.00 66.70 66.60 1u59 h VAL 438 Cb 1.42 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1u59 h VAL 438 CO 0.16 0.32 -0.22 0.00 0.02 0.00 0.00 177.57 177.85 1u59 h ALA 439 N 1.11 1.17 0.05 1.67 0.00 -0.94 -0.93 119.26 121.39 1u59 h ALA 439 Ca 0.22 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1u59 h ALA 439 Cb 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1u59 h ALA 439 CO -0.01 0.28 -0.03 1.49 0.00 0.00 0.00 179.25 180.98 1u59 h GLU 440 N 0.00 -0.07 -0.63 0.00 4.81 -0.56 0.77 114.58 118.90 1u59 h GLU 440 Ca -0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1u59 h GLU 440 Cb 0.59 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 1u59 h GLU 440 CO 0.03 0.26 0.23 -0.07 -0.73 0.00 0.00 179.01 178.73 1u59 h LEU 441 N -0.40 0.89 -1.25 1.64 3.38 -1.14 -1.59 115.31 116.83 1u59 h LEU 441 Ca -0.01 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 1u59 h LEU 441 Cb 0.36 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1u59 h LEU 441 CO 0.01 0.83 -0.27 -0.07 0.09 0.00 0.00 178.44 179.03 1u59 h LEU 442 N 0.89 0.16 -0.43 1.67 3.38 -1.11 -1.32 115.31 118.55 1u59 h LEU 442 Ca 0.21 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 1u59 h LEU 442 Cb 0.24 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1u59 h LEU 442 CO -0.01 0.44 -0.24 -0.74 0.09 0.00 0.00 178.44 177.98 1u59 h HIS 443 N 0.15 1.06 -0.73 1.13 2.76 -0.31 -1.26 115.15 117.95 1u59 h HIS 443 Ca 0.02 -0.27 -0.05 0.00 -2.20 0.00 0.00 60.37 57.87 1u59 h HIS 443 Cb 0.56 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 29.25 1u59 h HIS 443 CO 0.01 1.08 0.28 1.96 -1.30 0.00 0.00 177.93 179.95 1u59 h GLN 444 N 0.75 1.10 -0.85 5.26 4.20 -0.79 -1.48 115.11 123.30 1u59 h GLN 444 Ca 0.09 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 1u59 h GLN 444 Cb 0.81 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.38 1u59 h GLN 444 CO 0.07 0.91 0.40 0.28 -0.67 0.00 0.00 178.83 179.82 1u59 h VAL 445 N 1.05 1.26 -0.07 -0.54 2.07 -1.08 -1.28 116.25 117.67 1u59 h VAL 445 Ca 0.24 -0.74 -0.06 0.00 0.82 0.00 0.00 66.70 66.96 1u59 h VAL 445 Cb 0.23 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1u59 h VAL 445 CO -0.02 0.32 -0.24 0.77 0.02 0.00 0.00 177.57 178.42 1u59 h SER 446 N 1.21 0.11 -0.13 0.57 4.64 -0.53 -1.56 113.55 117.86 1u59 h SER 446 Ca 0.29 -0.03 -0.20 0.00 -0.47 0.00 0.00 61.79 61.38 1u59 h SER 446 Cb 0.13 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1u59 h SER 446 CO -0.03 0.36 -0.66 0.24 -0.87 0.00 0.00 176.83 175.87 1u59 h MET 447 N 0.10 0.76 -0.38 4.77 2.07 -0.46 -1.12 114.93 120.66 1u59 h MET 447 Ca 0.02 -0.54 -0.01 0.00 -2.07 0.00 0.00 59.70 57.09 1u59 h MET 447 Cb 0.49 0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 30.30 1u59 h MET 447 CO 0.03 1.16 0.18 0.78 1.07 0.00 0.00 176.91 180.14 1u59 h GLY 448 N 0.75 0.59 1.55 8.32 0.00 -0.75 -1.94 103.07 111.59 1u59 h GLY 448 Ca -0.02 -0.29 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 1u59 h GLY 448 CO 0.14 0.28 -0.17 -0.33 0.00 0.00 0.00 176.54 176.45 1u59 h MET 449 N 0.48 0.54 -0.61 4.80 2.86 -1.28 0.26 114.93 121.97 1u59 h MET 449 Ca 0.13 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1u59 h MET 449 Cb 0.12 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 1u59 h MET 449 CO -0.02 0.69 0.36 -0.22 1.06 0.00 0.00 176.91 178.79 1u59 h LYS 450 N 0.49 0.83 0.03 1.72 3.64 -0.96 0.12 116.57 122.43 1u59 h LYS 450 Ca 0.08 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1u59 h LYS 450 Cb 0.58 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1u59 h LYS 450 CO 0.04 0.60 -0.01 -0.92 -2.27 0.00 0.00 179.45 176.88 1u59 h TYR 451 N 0.82 -0.03 -0.71 1.91 3.20 -0.81 -1.86 116.97 119.49 1u59 h TYR 451 Ca 0.22 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.18 1u59 h TYR 451 Cb -0.01 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.19 1u59 h TYR 451 CO -0.02 0.05 0.34 1.25 -1.64 0.00 0.00 178.16 178.14 1u59 h LEU 452 N -0.11 0.43 -0.33 2.82 5.85 -0.42 -1.25 115.31 122.30 1u59 h LEU 452 Ca -0.00 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.81 1u59 h LEU 452 Cb 0.10 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1u59 h LEU 452 CO 0.01 0.24 0.13 -0.08 -0.34 0.00 0.00 178.44 178.40 1u59 h GLU 453 N 0.58 0.28 -0.88 1.25 4.81 -0.53 -0.98 114.58 119.11 1u59 h GLU 453 Ca 0.35 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.59 1u59 h GLU 453 Cb 0.39 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 1u59 h GLU 453 CO -0.28 0.18 0.58 0.93 -0.73 0.00 0.00 179.01 179.69 1u59 h GLU 454 N 0.29 1.10 -0.02 1.92 5.08 -0.43 0.24 114.58 122.75 1u59 h GLU 454 Ca 0.15 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1u59 h GLU 454 Cb 0.10 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1u59 h GLU 454 CO -0.13 0.73 0.00 1.63 -1.00 0.00 0.00 179.01 180.23 1u59 n LYS 455 N -4.43 1.08 -3.88 2.33 4.76 -0.58 -4.90 118.16 112.54 1u59 n LYS 455 Ca 0.11 -0.12 -0.26 0.00 -2.87 0.00 0.00 58.31 55.17 1u59 n LYS 455 Cb 0.07 -1.26 0.01 0.00 -1.84 0.00 0.00 35.03 32.01 1u59 n LYS 455 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1u59 n ASN 456 N -0.63 -1.97 -4.48 4.39 4.13 0.83 -4.89 115.26 112.64 1u59 n ASN 456 Ca 0.12 -0.88 -0.33 0.00 1.68 0.00 0.00 54.58 55.17 1u59 n ASN 456 Cb 0.08 -3.59 -0.13 0.00 -1.54 0.00 0.00 39.78 34.60 1u59 n ASN 456 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1u59 s PHE 457 N -3.63 2.73 -0.22 3.10 0.40 -0.47 -1.88 117.98 118.00 1u59 s PHE 457 Ca 0.23 -0.18 -0.06 0.00 -0.60 0.00 0.00 56.93 56.32 1u59 s PHE 457 Cb -0.12 -1.65 -0.03 0.00 0.51 0.00 0.00 43.02 41.73 1u59 s PHE 457 CO 0.85 0.17 0.04 0.08 0.70 0.00 0.00 175.22 177.06 1u59 s VAL 458 N -0.65 4.24 -0.08 -0.44 1.01 -0.50 -4.33 120.40 119.65 1u59 s VAL 458 Ca 0.10 -0.21 -0.23 0.00 0.00 0.00 0.00 61.98 61.64 1u59 s VAL 458 Cb -0.11 -2.95 -0.19 0.00 0.00 0.00 0.00 36.38 33.13 1u59 s VAL 458 CO 0.01 0.39 0.84 -0.74 0.00 0.00 0.00 175.10 175.60 1u59 h HIS 459 N 7.74 -0.07 0.00 5.22 2.76 -1.89 -2.14 115.15 126.77 1u59 h HIS 459 Ca -0.37 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.80 1u59 h HIS 459 Cb 1.18 0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.16 1u59 h HIS 459 CO 0.62 0.53 0.00 -2.13 -1.30 0.00 0.00 177.93 175.66 1u59 n ARG 460 N -4.79 0.00 -1.39 5.26 0.63 -1.26 -3.42 116.66 111.68 1u59 n ARG 460 Ca -0.08 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.64 1u59 n ARG 460 Cb 0.31 0.00 0.10 0.00 0.45 0.00 0.00 32.46 33.33 1u59 n ARG 460 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1u59 n ASP 461 N 1.57 4.92 -4.70 6.15 2.03 -1.26 -5.00 116.55 120.25 1u59 n ASP 461 Ca 0.00 -3.77 -0.42 0.00 0.52 0.00 0.00 54.79 51.12 1u59 n ASP 461 Cb 0.00 -0.66 -0.03 0.00 -0.72 0.00 0.00 41.12 39.71 1u59 n ASP 461 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1u59 s LEU 462 N -3.54 4.35 -0.06 -2.67 2.96 -1.26 -4.79 118.68 113.66 1u59 s LEU 462 Ca 0.54 2.17 -0.30 0.00 -0.22 0.00 0.00 54.13 56.31 1u59 s LEU 462 Cb 0.44 -3.57 0.11 0.00 0.50 0.00 0.00 46.19 43.67 1u59 s LEU 462 CO 0.02 -0.64 0.96 0.00 -1.32 0.00 0.00 176.35 175.36 1u59 s ALA 463 N 1.65 -1.88 0.33 5.97 0.00 -1.26 -4.68 121.76 121.89 1u59 s ALA 463 Ca 0.63 1.21 0.09 0.00 0.00 0.00 0.00 51.96 53.88 1u59 s ALA 463 Cb -0.33 0.13 0.82 0.00 0.00 0.00 0.00 23.12 23.75 1u59 s ALA 463 CO 0.28 -0.60 1.80 0.00 0.00 0.00 0.00 175.76 177.23 1u59 h ALA 464 N 2.10 1.81 0.00 0.00 0.00 -1.91 0.71 119.26 121.97 1u59 h ALA 464 Ca -0.19 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1u59 h ALA 464 Cb 1.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1u59 h ALA 464 CO 0.30 -0.16 0.00 0.07 0.00 0.00 0.00 179.25 179.46 1u59 h ARG 465 N 0.68 0.00 -0.37 0.00 0.11 -1.95 -2.30 114.38 110.54 1u59 h ARG 465 Ca 0.55 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.63 1u59 h ARG 465 Cb 0.97 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.05 1u59 h ARG 465 CO -0.33 0.00 0.00 0.09 0.10 0.00 0.00 179.97 179.83 1u59 n ASN 466 N -2.43 3.10 -4.65 0.08 3.02 0.23 -4.75 115.26 109.86 1u59 n ASN 466 Ca 0.01 -1.91 -0.37 0.00 -0.03 0.00 0.00 54.58 52.28 1u59 n ASN 466 Cb 0.18 -0.24 -0.10 0.00 -0.61 0.00 0.00 39.78 39.00 1u59 n ASN 466 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1u59 s VAL 467 N -1.12 5.35 0.01 2.41 1.01 -0.88 -1.51 120.40 125.66 1u59 s VAL 467 Ca 0.30 0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.50 1u59 s VAL 467 Cb 0.17 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 1u59 s VAL 467 CO 0.23 0.33 -0.09 -0.76 0.00 0.00 0.00 175.10 174.81 1u59 s LEU 468 N 1.19 3.06 -0.16 3.92 1.43 0.11 -0.46 118.68 127.78 1u59 s LEU 468 Ca 0.07 -0.19 -0.06 0.00 -1.03 0.00 0.00 54.13 52.93 1u59 s LEU 468 Cb -0.14 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 1u59 s LEU 468 CO 0.06 0.28 0.03 -0.76 0.23 0.00 0.00 176.35 176.19 1u59 s LEU 469 N -1.38 3.63 0.01 1.79 1.02 -0.37 0.10 118.68 123.47 1u59 s LEU 469 Ca 0.16 0.03 -0.18 0.00 0.02 0.00 0.00 54.13 54.16 1u59 s LEU 469 Cb -0.11 -1.89 -0.31 0.00 0.02 0.00 0.00 46.19 43.89 1u59 s LEU 469 CO 0.07 0.20 1.00 0.58 0.02 0.00 0.00 176.35 178.21 1u59 h VAL 470 N 4.87 1.38 -2.19 -1.59 2.07 -0.95 0.32 116.25 120.15 1u59 h VAL 470 Ca -0.37 -2.52 -0.02 0.00 0.82 0.00 0.00 66.70 64.61 1u59 h VAL 470 Cb 1.18 2.97 -0.00 0.00 -1.52 0.00 0.00 31.29 33.91 1u59 h VAL 470 CO 0.66 0.74 -0.00 -0.46 0.02 0.00 0.00 177.57 178.53 1u59 n ASN 471 N -3.93 -0.19 0.01 0.57 0.23 -1.22 -3.77 115.26 106.97 1u59 n ASN 471 Ca -0.14 -1.21 0.09 0.00 -0.53 0.00 0.00 54.58 52.79 1u59 n ASN 471 Cb 0.93 0.34 0.39 0.00 -2.08 0.00 0.00 39.78 39.35 1u59 n ASN 471 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 1u59 n ARG 472 N -0.06 0.02 -0.15 -3.83 1.85 -1.26 -2.98 116.66 110.24 1u59 n ARG 472 Ca -0.00 0.22 0.09 0.00 -1.00 0.00 0.00 57.85 57.15 1u59 n ARG 472 Cb 0.07 -1.54 0.13 0.00 -1.05 0.00 0.00 32.46 30.07 1u59 n ARG 472 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1u59 n HIS 473 N -1.58 0.00 -3.44 2.89 8.25 -1.26 -4.86 115.22 115.22 1u59 n HIS 473 Ca 0.04 -0.93 -0.16 0.00 -0.26 0.00 0.00 57.72 56.41 1u59 n HIS 473 Cb 0.21 -0.15 -0.11 0.00 1.12 0.00 0.00 29.99 31.06 1u59 n HIS 473 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1u59 s TYR 474 N -2.61 -0.43 0.11 4.41 5.04 -1.16 -4.26 117.35 118.44 1u59 s TYR 474 Ca 0.29 0.28 0.06 0.00 -2.44 0.00 0.00 57.07 55.27 1u59 s TYR 474 Cb 0.26 -0.30 -0.04 0.00 0.35 0.00 0.00 41.96 42.23 1u59 s TYR 474 CO 0.02 -0.69 -0.05 0.00 -1.34 0.00 0.00 175.55 173.48 1u59 s ALA 475 N 2.38 3.10 -0.01 3.97 0.00 -1.26 -0.29 121.76 129.65 1u59 s ALA 475 Ca 0.09 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.84 1u59 s ALA 475 Cb -0.15 -1.01 0.01 0.00 0.00 0.00 0.00 23.12 21.97 1u59 s ALA 475 CO -0.17 0.65 0.01 0.15 0.00 0.00 0.00 175.76 176.40 1u59 s LYS 476 N -2.33 0.02 0.05 0.00 1.02 0.28 -4.54 119.74 114.24 1u59 s LYS 476 Ca 0.24 0.08 -0.30 0.00 0.02 0.00 0.00 55.97 56.01 1u59 s LYS 476 Cb -0.11 -0.15 -0.04 0.00 -0.52 0.00 0.00 37.83 37.00 1u59 s LYS 476 CO 0.16 -0.08 1.02 0.42 -0.92 0.00 0.00 175.35 175.95 1u59 s ILE 477 N 0.53 4.58 0.41 2.17 1.01 -0.11 0.07 121.20 129.86 1u59 s ILE 477 Ca -0.05 1.94 0.05 0.00 0.00 0.00 0.00 60.65 62.59 1u59 s ILE 477 Cb -0.07 -4.24 -0.02 0.00 0.01 0.00 0.00 42.46 38.14 1u59 s ILE 477 CO -0.01 0.20 0.18 -0.94 0.00 0.00 0.00 174.94 174.36 1u59 s SER 478 N 0.69 2.65 -0.42 3.58 1.04 -0.57 -0.86 113.70 119.82 1u59 s SER 478 Ca 0.52 -1.74 -0.15 0.00 0.48 0.00 0.00 55.95 55.05 1u59 s SER 478 Cb -0.23 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.50 1u59 s SER 478 CO 0.29 -1.01 0.58 -0.67 0.98 0.00 0.00 173.24 173.41 1u59 n ASP 479 N -1.48 -7.77 -1.68 7.02 4.64 -1.26 -4.86 116.55 111.16 1u59 n ASP 479 Ca -0.03 0.52 -0.09 0.00 -1.38 0.00 0.00 54.79 53.81 1u59 n ASP 479 Cb 0.64 -5.26 0.17 0.00 -1.04 0.00 0.00 41.12 35.63 1u59 n ASP 479 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 1u59 n PHE 480 N -0.32 1.82 0.19 -0.67 3.72 -1.26 -4.51 117.46 116.43 1u59 n PHE 480 Ca 0.12 -1.08 0.06 0.00 -0.05 0.00 0.00 57.45 56.50 1u59 n PHE 480 Cb 0.44 -0.60 0.54 0.00 -0.94 0.00 0.00 39.48 38.93 1u59 n PHE 480 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1u59 h GLY 481 N 2.83 0.13 -1.58 1.37 0.00 -1.91 -2.13 103.07 101.78 1u59 h GLY 481 Ca 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1u59 h GLY 481 CO 0.59 0.06 0.00 1.04 0.00 0.00 0.00 176.54 178.23 1u59 n LEU 482 N -4.45 2.77 -4.73 3.11 4.77 -1.26 -4.94 117.00 112.27 1u59 n LEU 482 Ca -0.02 -1.34 -0.36 0.00 -0.03 0.00 0.00 56.01 54.27 1u59 n LEU 482 Cb 0.14 -0.12 0.07 0.00 -2.33 0.00 0.00 43.42 41.18 1u59 n LEU 482 CO 0.35 0.57 0.85 -0.55 -1.33 0.00 0.00 177.39 177.29 1u59 s SER 483 N -1.29 4.52 -0.15 -1.43 0.15 -0.80 -4.76 113.70 109.94 1u59 s SER 483 Ca 0.25 2.48 -0.21 0.00 0.70 0.00 0.00 55.95 59.17 1u59 s SER 483 Cb 0.16 -2.60 0.05 0.00 -1.71 0.00 0.00 66.02 61.92 1u59 s SER 483 CO 0.22 -2.05 0.55 -0.75 1.20 0.00 0.00 173.24 172.41 1u59 s LYS 484 N -3.59 0.74 0.34 5.44 2.20 -0.80 -4.99 119.74 119.08 1u59 s LYS 484 Ca 0.78 0.52 -0.23 0.00 -0.36 0.00 0.00 55.97 56.69 1u59 s LYS 484 Cb -0.33 0.35 -0.10 0.00 -1.51 0.00 0.00 37.83 36.24 1u59 s LYS 484 CO 0.41 -0.15 0.91 0.00 -0.36 0.00 0.00 175.35 176.16 1u59 s ALA 485 N -0.26 3.19 -0.19 3.13 0.00 -1.26 -1.41 121.76 124.97 1u59 s ALA 485 Ca -0.04 0.41 0.14 0.00 0.00 0.00 0.00 51.96 52.47 1u59 s ALA 485 Cb -0.03 -3.10 -0.21 0.00 0.00 0.00 0.00 23.12 19.77 1u59 s ALA 485 CO 0.03 0.19 0.02 1.28 0.00 0.00 0.00 175.76 177.28 1u59 n LEU 486 N 0.15 0.47 0.00 0.00 4.77 -0.79 -4.94 117.00 116.66 1u59 n LEU 486 Ca 0.03 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1u59 n LEU 486 Cb 0.52 0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 1u59 n LEU 486 CO 0.42 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 1u59 n GLY 487 N 1.96 1.50 0.12 -0.72 0.00 -1.26 -2.49 105.19 104.31 1u59 n GLY 487 Ca -0.31 -0.49 0.01 0.00 0.00 0.00 0.00 46.02 45.23 1u59 n GLY 487 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u59 h ALA 488 N -0.28 0.64 -2.62 4.61 0.00 -1.97 -3.46 119.26 116.18 1u59 h ALA 488 Ca 0.00 -0.56 -0.51 0.00 0.00 0.00 0.00 54.91 53.84 1u59 h ALA 488 Cb 0.00 -0.02 0.10 0.00 0.00 0.00 0.00 17.79 17.87 1u59 h ALA 488 CO 0.00 0.73 0.42 -0.51 0.00 0.00 0.00 179.25 179.89 1u59 s ASP 489 N -6.35 5.28 0.00 0.00 1.01 -1.04 -4.95 116.67 110.63 1u59 s ASP 489 Ca 0.02 2.19 0.16 0.00 0.71 0.00 0.00 52.55 55.64 1u59 s ASP 489 Cb 0.08 -2.58 0.41 0.00 1.01 0.00 0.00 42.92 41.84 1u59 s ASP 489 CO 0.76 -1.52 1.33 -0.90 0.21 0.00 0.00 175.17 175.05 1u59 n ASP 490 N -1.81 3.24 -3.53 0.27 5.75 -1.26 -4.73 116.55 114.47 1u59 n ASP 490 Ca 0.12 -1.95 -0.02 0.00 -0.01 0.00 0.00 54.79 52.94 1u59 n ASP 490 Cb 0.51 -0.29 0.01 0.00 -1.03 0.00 0.00 41.12 40.32 1u59 n ASP 490 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1u59 s SER 491 N -1.07 -0.03 -0.00 -1.12 1.04 -1.26 -4.48 113.70 106.77 1u59 s SER 491 Ca 0.33 -0.49 -0.29 0.00 0.48 0.00 0.00 55.95 55.98 1u59 s SER 491 Cb 0.18 0.39 0.07 0.00 0.10 0.00 0.00 66.02 66.76 1u59 s SER 491 CO 0.24 -0.77 0.68 -0.72 0.98 0.00 0.00 173.24 173.65 1u59 s TYR 492 N -2.32 -0.61 -0.25 5.02 -0.85 -0.72 -4.97 117.35 112.65 1u59 s TYR 492 Ca 0.21 0.88 -0.08 0.00 -0.52 0.00 0.00 57.07 57.57 1u59 s TYR 492 Cb -0.01 0.45 -0.03 0.00 0.38 0.00 0.00 41.96 42.75 1u59 s TYR 492 CO 0.03 -0.65 0.09 0.71 -1.52 0.00 0.00 175.55 174.20 1u59 s TYR 493 N -1.86 3.11 0.39 -3.49 1.51 -1.26 -0.75 117.35 115.00 1u59 s TYR 493 Ca -0.07 -0.34 -0.13 0.00 -1.01 0.00 0.00 57.07 55.52 1u59 s TYR 493 Cb -0.00 -2.26 -0.07 0.00 -0.11 0.00 0.00 41.96 39.52 1u59 s TYR 493 CO 0.03 -0.32 0.78 -0.08 -1.11 0.00 0.00 175.55 174.85 1u59 s THR 494 N 1.62 4.72 0.94 -0.71 -1.32 -0.82 -5.02 115.64 115.04 1u59 s THR 494 Ca 0.06 0.80 -0.12 0.00 -1.21 0.00 0.00 61.69 61.23 1u59 s THR 494 Cb -0.15 -3.69 0.15 0.00 -1.51 0.00 0.00 72.50 67.30 1u59 s THR 494 CO 0.05 -0.43 1.11 0.00 -2.21 0.00 0.00 174.62 173.14 1u59 s ALA 495 N -2.27 1.46 -0.22 11.08 0.00 -1.26 -4.96 121.76 125.58 1u59 s ALA 495 Ca 0.53 -0.39 -0.05 0.00 0.00 0.00 0.00 51.96 52.05 1u59 s ALA 495 Cb -0.10 -3.09 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 1u59 s ALA 495 CO 0.26 -2.47 -0.00 0.50 0.00 0.00 0.00 175.76 174.05 1u59 s ARG 496 N -5.11 3.50 0.31 0.00 3.52 -1.26 -5.10 118.95 114.81 1u59 s ARG 496 Ca 0.64 -0.56 0.02 0.00 -0.13 0.00 0.00 55.73 55.70 1u59 s ARG 496 Cb -0.17 -3.10 -0.03 0.00 -1.56 0.00 0.00 34.95 30.09 1u59 s ARG 496 CO 0.55 -0.15 0.47 0.45 -0.81 0.00 0.00 175.30 175.82 1u59 s SER 497 N 1.40 6.29 0.66 -2.12 0.15 -1.26 -5.06 113.70 113.76 1u59 s SER 497 Ca 0.05 0.27 -0.18 0.00 0.70 0.00 0.00 55.95 56.79 1u59 s SER 497 Cb -0.15 -1.93 -0.00 0.00 -1.71 0.00 0.00 66.02 62.23 1u59 s SER 497 CO -0.00 -0.22 1.29 0.00 1.20 0.00 0.00 173.24 175.51 1u59 s ALA 498 N -2.18 2.34 0.00 5.45 0.00 -1.26 -4.82 121.76 121.29 1u59 s ALA 498 Ca 0.38 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.54 1u59 s ALA 498 Cb -0.09 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1u59 s ALA 498 CO 0.33 -1.66 0.00 0.41 0.00 0.00 0.00 175.76 174.84 1u59 n GLY 499 N 0.89 -0.72 3.66 0.00 0.00 -1.26 -5.06 105.19 102.71 1u59 n GLY 499 Ca 0.16 -2.23 -0.30 0.00 0.00 0.00 0.00 46.02 43.65 1u59 n GLY 499 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u59 s LYS 500 N -0.38 2.45 -0.04 1.61 1.02 -1.26 -5.12 119.74 118.03 1u59 s LYS 500 Ca 0.00 -0.89 -0.15 0.00 0.02 0.00 0.00 55.97 54.95 1u59 s LYS 500 Cb 0.00 -2.48 -0.05 0.00 -0.52 0.00 0.00 37.83 34.78 1u59 s LYS 500 CO 0.00 0.53 0.39 -1.58 -0.92 0.00 0.00 175.35 173.77 1u59 s TRP 501 N -1.32 3.67 -1.14 3.18 0.52 -1.26 -4.97 118.94 117.63 1u59 s TRP 501 Ca 0.25 0.92 -0.17 0.00 0.02 0.00 0.00 56.10 57.12 1u59 s TRP 501 Cb -0.11 -2.31 -0.06 0.00 -1.15 0.00 0.00 33.47 29.83 1u59 s TRP 501 CO 0.17 0.55 2.13 -0.35 0.02 0.00 0.00 176.95 179.47 1u59 n PRO 502 N 2.24 2.26 -0.31 4.98 -0.04 -1.26 -4.75 135.00 138.12 1u59 n PRO 502 Ca -0.13 -2.18 0.13 0.00 -0.04 0.00 0.00 63.50 61.27 1u59 n PRO 502 Cb 0.52 -3.05 0.27 0.00 -0.04 0.00 0.00 33.50 31.20 1u59 n PRO 502 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1u59 h LEU 503 N 11.38 -0.29 0.00 1.53 4.07 -1.95 -1.02 115.31 129.03 1u59 h LEU 503 Ca 0.52 0.24 0.00 0.00 0.08 0.00 0.00 57.88 58.72 1u59 h LEU 503 Cb 0.60 0.39 0.00 0.00 1.08 0.00 0.00 40.66 42.73 1u59 h LEU 503 CO 1.89 -0.26 0.01 0.29 -1.08 0.00 0.00 178.44 179.28 1u59 n LYS 504 N -5.38 0.00 0.00 1.13 5.02 -1.26 -1.17 118.16 116.50 1u59 n LYS 504 Ca 0.21 0.36 0.04 0.00 -2.02 0.00 0.00 58.31 56.90 1u59 n LYS 504 Cb 0.69 -1.51 0.02 0.00 -0.02 0.00 0.00 35.03 34.21 1u59 n LYS 504 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1u59 n TRP 505 N -1.36 0.00 -3.75 2.13 8.01 -0.39 -4.97 117.44 117.12 1u59 n TRP 505 Ca 0.00 0.00 -0.37 0.00 -1.31 0.00 0.00 57.50 55.82 1u59 n TRP 505 Cb 0.01 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.24 1u59 n TRP 505 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 1u59 s TYR 506 N -0.85 3.58 0.75 -5.99 1.51 -0.32 -3.83 117.35 112.20 1u59 s TYR 506 Ca 0.08 0.60 -0.11 0.00 -1.01 0.00 0.00 57.07 56.63 1u59 s TYR 506 Cb 0.06 -2.09 0.04 0.00 -0.11 0.00 0.00 41.96 39.87 1u59 s TYR 506 CO 0.13 0.60 1.09 0.00 -1.11 0.00 0.00 175.55 176.26 1u59 s ALA 507 N -0.66 2.35 0.15 3.71 0.00 -1.26 -4.86 121.76 121.20 1u59 s ALA 507 Ca 0.16 0.26 -0.22 0.00 0.00 0.00 0.00 51.96 52.15 1u59 s ALA 507 Cb -0.13 -3.26 0.04 0.00 0.00 0.00 0.00 23.12 19.77 1u59 s ALA 507 CO 0.05 -1.62 1.62 -1.35 0.00 0.00 0.00 175.76 174.46 1u59 h PRO 508 N -0.95 -0.24 0.00 0.00 0.11 -1.95 0.16 132.00 129.12 1u59 h PRO 508 Ca -0.44 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1u59 h PRO 508 Cb 1.23 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1u59 h PRO 508 CO 0.53 -0.16 0.03 1.05 -0.21 0.00 0.00 178.00 179.23 1u59 h GLU 509 N -0.25 0.00 0.12 1.05 9.09 -1.88 -0.34 114.58 122.37 1u59 h GLU 509 Ca 0.15 0.00 -0.30 0.00 0.05 0.00 0.00 59.36 59.26 1u59 h GLU 509 Cb 0.48 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.61 1u59 h GLU 509 CO -0.43 0.00 -1.24 0.00 0.05 0.00 0.00 179.01 177.39 1u59 h ILE 511 N 0.28 1.42 0.04 0.00 2.04 -0.92 -1.89 117.51 118.49 1u59 h ILE 511 Ca -0.19 -2.56 -0.23 0.00 1.00 0.00 0.00 64.86 62.88 1u59 h ILE 511 Cb 1.91 3.13 -0.02 0.00 -0.74 0.00 0.00 36.82 41.10 1u59 h ILE 511 CO 0.24 0.74 -1.07 0.78 0.00 0.00 0.00 178.15 178.84 1u59 h ASN 512 N -0.26 0.15 0.00 1.72 2.35 -1.28 -3.38 115.58 114.88 1u59 h ASN 512 Ca -0.18 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 1u59 h ASN 512 Cb 1.76 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 40.09 1u59 h ASN 512 CO 0.17 1.11 0.00 0.49 -1.65 0.00 0.00 177.43 177.55 1u59 n PHE 513 N -3.43 0.00 -4.08 1.19 3.01 -0.92 -5.01 117.46 108.21 1u59 n PHE 513 Ca -0.03 -0.24 -0.34 0.00 1.01 0.00 0.00 57.45 57.85 1u59 n PHE 513 Cb 0.96 -0.02 -0.01 0.00 -0.01 0.00 0.00 39.48 40.40 1u59 n PHE 513 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1u59 n ARG 514 N -0.24 -3.94 -3.86 -1.08 3.00 -0.71 -4.87 116.66 104.96 1u59 n ARG 514 Ca 0.00 0.45 -0.36 0.00 -0.01 0.00 0.00 57.85 57.93 1u59 n ARG 514 Cb 0.34 -5.24 -0.11 0.00 0.00 0.00 0.00 32.46 27.46 1u59 n ARG 514 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1u59 s LYS 515 N -6.79 3.88 0.02 5.56 2.20 -0.82 -1.94 119.74 121.86 1u59 s LYS 515 Ca 0.71 -0.38 0.08 0.00 -0.36 0.00 0.00 55.97 56.02 1u59 s LYS 515 Cb -0.38 -3.32 -0.02 0.00 -1.51 0.00 0.00 37.83 32.60 1u59 s LYS 515 CO 0.87 0.07 -0.24 -0.06 -0.36 0.00 0.00 175.35 175.63 1u59 s PHE 516 N 0.96 2.12 0.15 4.03 0.40 0.07 -3.70 117.98 122.01 1u59 s PHE 516 Ca 0.05 -0.40 -0.08 0.00 -0.60 0.00 0.00 56.93 55.90 1u59 s PHE 516 Cb -0.14 -1.30 0.03 0.00 0.51 0.00 0.00 43.02 42.13 1u59 s PHE 516 CO 0.03 0.07 0.40 -1.13 0.70 0.00 0.00 175.22 175.28 1u59 n SER 517 N 2.03 -0.98 -0.16 1.36 3.41 -1.26 -1.75 113.62 116.26 1u59 n SER 517 Ca -0.17 -1.64 -0.09 0.00 -0.26 0.00 0.00 58.87 56.72 1u59 n SER 517 Cb 0.52 1.62 0.00 0.00 -0.26 0.00 0.00 64.21 66.10 1u59 n SER 517 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1u59 h SER 518 N 0.91 0.64 0.40 4.04 0.02 -1.89 -1.41 113.55 116.27 1u59 h SER 518 Ca -0.15 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1u59 h SER 518 Cb 0.56 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1u59 h SER 518 CO 0.19 0.64 0.00 0.03 -1.14 0.00 0.00 176.83 176.55 1u59 h ARG 519 N 0.60 0.00 0.17 3.45 3.08 -1.92 0.23 114.38 119.99 1u59 h ARG 519 Ca 0.15 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.91 1u59 h ARG 519 Cb 0.20 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.27 1u59 h ARG 519 CO -0.01 0.00 -1.34 1.03 -1.07 0.00 0.00 179.97 178.58 1u59 h SER 520 N 0.00 0.57 0.53 7.04 0.87 -1.66 -2.93 113.55 117.96 1u59 h SER 520 Ca 0.00 -0.61 -0.09 0.00 -1.23 0.00 0.00 61.79 59.86 1u59 h SER 520 Cb 0.20 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 1u59 h SER 520 CO 0.00 1.48 -0.43 0.44 -0.53 0.00 0.00 176.83 177.79 1u59 h ASP 521 N 0.10 0.00 -0.71 6.23 3.32 0.04 -2.59 116.42 122.80 1u59 h ASP 521 Ca -0.18 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.82 1u59 h ASP 521 Cb 2.04 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.56 1u59 h ASP 521 CO 0.23 0.43 0.26 0.58 -1.72 0.00 0.00 179.24 179.01 1u59 h VAL 522 N 0.00 1.25 -0.07 -1.35 2.07 -0.98 0.43 116.25 117.61 1u59 h VAL 522 Ca -0.00 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1u59 h VAL 522 Cb 0.81 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1u59 h VAL 522 CO 0.06 0.33 0.04 -0.25 0.02 0.00 0.00 177.57 177.77 1u59 h TRP 523 N 1.04 0.09 -0.54 1.57 2.91 -1.29 0.15 115.95 119.88 1u59 h TRP 523 Ca 0.23 0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.26 1u59 h TRP 523 Cb 0.25 -0.03 -0.03 0.00 -0.51 0.00 0.00 29.16 28.85 1u59 h TRP 523 CO 0.02 0.07 0.36 0.77 -1.03 0.00 0.00 178.44 178.63 1u59 h SER 524 N 0.08 0.61 -0.57 2.65 0.02 -1.15 -0.40 113.55 114.79 1u59 h SER 524 Ca 0.02 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 1u59 h SER 524 Cb 0.00 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 1u59 h SER 524 CO -0.01 0.44 0.11 0.22 -1.14 0.00 0.00 176.83 176.45 1u59 h TYR 525 N 0.72 1.03 -0.61 3.45 3.20 0.67 -0.33 116.97 125.10 1u59 h TYR 525 Ca 0.20 -0.13 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 1u59 h TYR 525 Cb -0.07 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 37.89 1u59 h TYR 525 CO -0.00 0.87 0.22 0.78 -1.64 0.00 0.00 178.16 178.39 1u59 h GLY 526 N 1.03 0.99 1.16 1.82 0.00 0.68 -0.06 103.07 108.69 1u59 h GLY 526 Ca 0.19 -0.56 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 1u59 h GLY 526 CO 0.01 0.53 0.08 -2.08 0.00 0.00 0.00 176.54 175.07 1u59 h VAL 527 N 0.85 1.26 -0.90 4.60 2.07 -1.11 -2.24 116.25 120.78 1u59 h VAL 527 Ca 0.20 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.69 1u59 h VAL 527 Cb 0.24 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1u59 h VAL 527 CO -0.01 0.38 0.58 0.74 0.02 0.00 0.00 177.57 179.28 1u59 h THR 528 N 0.96 1.24 -0.61 2.57 2.02 -0.45 0.52 112.91 119.15 1u59 h THR 528 Ca 0.19 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 1u59 h THR 528 Cb 0.44 -0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 1u59 h THR 528 CO 0.01 0.23 0.30 0.24 0.37 0.00 0.00 175.52 176.68 1u59 h MET 529 N 1.23 0.88 -0.07 6.66 2.86 -0.56 -0.75 114.93 125.17 1u59 h MET 529 Ca 0.33 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 1u59 h MET 529 Cb -0.12 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.38 1u59 h MET 529 CO -0.07 0.70 0.02 2.35 1.06 0.00 0.00 176.91 180.97 1u59 h TRP 530 N 0.84 0.11 -0.51 -0.22 7.01 -0.82 0.24 115.95 122.61 1u59 h TRP 530 Ca 0.21 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.28 1u59 h TRP 530 Cb 0.10 -0.03 -0.07 0.00 -2.10 0.00 0.00 29.16 27.06 1u59 h TRP 530 CO -0.00 0.27 0.14 0.93 -2.79 0.00 0.00 178.44 176.99 1u59 h GLU 531 N -0.07 0.28 -0.11 2.65 5.08 -0.63 -0.19 114.58 121.59 1u59 h GLU 531 Ca 0.02 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1u59 h GLU 531 Cb 0.21 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1u59 h GLU 531 CO -0.00 0.19 -0.19 0.00 -1.00 0.00 0.00 179.01 178.01 1u59 h ALA 532 N 1.37 0.17 0.00 3.43 0.00 -0.99 -1.13 119.26 122.11 1u59 h ALA 532 Ca 0.25 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1u59 h ALA 532 Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1u59 h ALA 532 CO -0.29 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.34 1u59 n LEU 533 N -4.53 0.36 -1.17 0.00 4.77 0.83 -1.42 117.00 115.84 1u59 n LEU 533 Ca -0.07 0.59 0.08 0.00 -0.03 0.00 0.00 56.01 56.58 1u59 n LEU 533 Cb 0.40 -0.55 0.28 0.00 -2.33 0.00 0.00 43.42 41.23 1u59 n LEU 533 CO 0.40 -0.44 0.74 -1.54 -1.33 0.00 0.00 177.39 175.22 1u59 n SER 534 N -1.90 4.15 -3.78 -1.43 3.41 -0.10 -4.73 113.62 109.23 1u59 n SER 534 Ca 0.03 -2.58 -0.24 0.00 -0.26 0.00 0.00 58.87 55.81 1u59 n SER 534 Cb 0.19 -0.50 0.01 0.00 -0.26 0.00 0.00 64.21 63.66 1u59 n SER 534 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1u59 n TYR 535 N 0.39 -1.82 -0.37 7.33 4.01 -0.51 -3.44 117.16 122.75 1u59 n TYR 535 Ca 0.21 0.75 0.00 0.00 -0.16 0.00 0.00 57.90 58.70 1u59 n TYR 535 Cb 0.81 -4.00 0.00 0.00 -0.31 0.00 0.00 39.34 35.85 1u59 n TYR 535 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u59 n GLY 536 N -1.74 0.81 3.84 2.72 0.00 -0.44 -3.50 105.19 106.89 1u59 n GLY 536 Ca -0.27 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 1u59 n GLY 536 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u59 s GLN 537 N -0.63 4.02 0.21 1.61 -0.21 -1.22 -4.93 119.66 118.51 1u59 s GLN 537 Ca 0.00 0.98 -0.28 0.00 0.02 0.00 0.00 55.36 56.08 1u59 s GLN 537 Cb 0.00 -2.16 -0.09 0.00 1.00 0.00 0.00 33.01 31.77 1u59 s GLN 537 CO 0.00 -0.20 0.89 0.15 -2.12 0.00 0.00 175.29 174.01 1u59 s LYS 538 N -3.83 4.77 0.32 2.91 1.02 -1.26 -4.67 119.74 118.99 1u59 s LYS 538 Ca 0.59 1.38 -0.29 0.00 0.02 0.00 0.00 55.97 57.68 1u59 s LYS 538 Cb -0.10 -3.28 -0.10 0.00 -0.52 0.00 0.00 37.83 33.84 1u59 s LYS 538 CO 0.27 0.53 1.24 -2.14 -0.92 0.00 0.00 175.35 174.33 1u59 s PRO 539 N -1.16 4.42 -1.37 -1.68 0.02 -1.26 -3.28 135.00 130.70 1u59 s PRO 539 Ca 0.39 2.07 -0.01 0.00 0.02 0.00 0.00 61.00 63.47 1u59 s PRO 539 Cb -0.25 -3.08 -0.00 0.00 0.02 0.00 0.00 34.50 31.19 1u59 s PRO 539 CO 0.30 -0.08 0.49 0.66 -0.33 0.00 0.00 177.00 178.05 1u59 n TYR 540 N 0.87 -1.71 -2.04 6.54 4.02 -1.26 -4.83 117.16 118.75 1u59 n TYR 540 Ca -0.00 0.74 -0.42 0.00 -0.01 0.00 0.00 57.90 58.21 1u59 n TYR 540 Cb 0.43 -3.85 -0.03 0.00 -0.02 0.00 0.00 39.34 35.87 1u59 n TYR 540 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1u59 s LYS 541 N -6.40 4.19 0.00 -0.72 2.20 -1.21 -1.77 119.74 116.03 1u59 s LYS 541 Ca 0.03 2.15 0.00 0.00 -0.36 0.00 0.00 55.97 57.80 1u59 s LYS 541 Cb -0.01 -3.95 0.00 0.00 -1.51 0.00 0.00 37.83 32.36 1u59 s LYS 541 CO 0.87 -0.82 0.00 1.63 -0.36 0.00 0.00 175.35 176.67 1u59 n LYS 542 N 6.99 0.00 -3.16 4.03 4.76 -1.26 -5.09 118.16 124.43 1u59 n LYS 542 Ca 0.17 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.40 1u59 n LYS 542 Cb 0.43 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.66 1u59 n LYS 542 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1u59 n MET 543 N -0.87 0.66 0.00 1.97 2.81 -0.73 -5.14 117.12 115.82 1u59 n MET 543 Ca 0.00 -3.07 0.00 0.00 -1.81 0.00 0.00 57.70 52.82 1u59 n MET 543 Cb 0.00 -0.03 0.00 0.00 -0.71 0.00 0.00 33.22 32.48 1u59 n MET 543 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1u59 n LYS 544 N -2.04 0.00 0.00 0.03 3.00 -1.26 -5.01 118.16 112.88 1u59 n LYS 544 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 1u59 n LYS 544 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.61 1u59 n LYS 544 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1u59 n GLY 545 N -0.03 2.63 0.00 3.14 0.00 -1.26 -1.74 105.19 107.94 1u59 n GLY 545 Ca 0.00 -0.26 0.04 0.00 0.00 0.00 0.00 46.02 45.80 1u59 n GLY 545 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1u59 n PRO 546 N 14.00 0.13 0.15 1.61 -0.02 -1.26 -1.98 135.00 147.63 1u59 n PRO 546 Ca 0.00 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1u59 n PRO 546 Cb 0.00 -1.50 0.23 0.00 -0.02 0.00 0.00 33.50 32.21 1u59 n PRO 546 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1u59 h GLU 547 N 0.00 0.00 0.07 -0.52 4.81 -1.76 -2.19 114.58 114.98 1u59 h GLU 547 Ca 0.00 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1u59 h GLU 547 Cb 0.06 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.46 1u59 h GLU 547 CO 0.00 0.53 -0.41 0.28 -0.73 0.00 0.00 179.01 178.69 1u59 h VAL 548 N 0.00 1.65 -0.83 0.32 2.07 -1.53 -3.19 116.25 114.75 1u59 h VAL 548 Ca -0.01 -2.43 -0.02 0.00 0.82 0.00 0.00 66.70 65.07 1u59 h VAL 548 Cb 0.98 3.29 -0.04 0.00 -1.52 0.00 0.00 31.29 34.00 1u59 h VAL 548 CO 0.07 0.66 0.45 -0.03 0.02 0.00 0.00 177.57 178.74 1u59 h MET 549 N -0.68 1.16 -0.86 1.57 1.85 -1.67 -1.28 114.93 115.02 1u59 h MET 549 Ca -0.07 -0.14 0.03 0.00 -0.61 0.00 0.00 59.70 58.91 1u59 h MET 549 Cb 1.32 -0.23 -0.05 0.00 0.43 0.00 0.00 31.60 33.07 1u59 h MET 549 CO 0.08 0.86 0.55 0.00 -0.40 0.00 0.00 176.91 177.99 1u59 h ALA 550 N 1.24 1.12 0.55 0.39 0.00 -1.53 0.18 119.26 121.20 1u59 h ALA 550 Ca 0.29 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1u59 h ALA 550 Cb 0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1u59 h ALA 550 CO -0.05 0.40 -0.37 0.35 0.00 0.00 0.00 179.25 179.59 1u59 h PHE 551 N 1.08 -0.99 -0.46 0.00 3.57 -1.33 -2.33 116.94 116.48 1u59 h PHE 551 Ca 0.34 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.92 1u59 h PHE 551 Cb -0.01 0.36 -0.08 0.00 2.79 0.00 0.00 35.95 39.01 1u59 h PHE 551 CO -0.02 -0.54 -0.01 0.82 -2.23 0.00 0.00 178.31 176.33 1u59 h ILE 552 N -0.86 0.63 -0.89 1.41 1.08 -1.06 -2.22 117.51 115.60 1u59 h ILE 552 Ca -0.07 -0.03 0.19 0.00 -0.39 0.00 0.00 64.86 64.55 1u59 h ILE 552 Cb 0.70 0.52 -0.11 0.00 -3.07 0.00 0.00 36.82 34.86 1u59 h ILE 552 CO 0.05 0.02 0.43 -0.08 -0.69 0.00 0.00 178.15 177.88 1u59 h GLU 553 N 0.10 0.50 0.00 2.37 4.57 -0.52 -0.54 114.58 121.05 1u59 h GLU 553 Ca 0.23 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 1u59 h GLU 553 Cb 0.34 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1u59 h GLU 553 CO -0.40 0.33 0.00 1.04 -1.18 0.00 0.00 179.01 178.80 1u59 n GLN 554 N -4.96 0.59 -0.84 1.92 6.02 -0.85 -4.84 117.38 114.42 1u59 n GLN 554 Ca 0.20 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 1u59 n GLN 554 Cb 0.57 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.33 1u59 n GLN 554 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u59 n GLY 555 N 0.34 1.08 3.51 1.08 0.00 -0.21 -5.09 105.19 105.91 1u59 n GLY 555 Ca 0.15 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 1u59 n GLY 555 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u59 s LYS 556 N -2.07 1.84 0.32 1.61 1.02 -1.15 -5.05 119.74 116.26 1u59 s LYS 556 Ca 0.00 -1.61 -0.11 0.00 0.02 0.00 0.00 55.97 54.26 1u59 s LYS 556 Cb 0.00 -1.91 0.02 0.00 -0.52 0.00 0.00 37.83 35.42 1u59 s LYS 556 CO 0.00 0.36 0.60 1.03 -0.92 0.00 0.00 175.35 176.41 1u59 s ARG 557 N -3.39 1.90 0.53 1.68 0.52 -1.26 -3.94 118.95 114.99 1u59 s ARG 557 Ca 0.29 -1.45 -0.22 0.00 -0.52 0.00 0.00 55.73 53.83 1u59 s ARG 557 Cb -0.06 0.52 -0.05 0.00 0.52 0.00 0.00 34.95 35.88 1u59 s ARG 557 CO 0.16 -0.83 1.32 -1.64 0.02 0.00 0.00 175.30 174.32 1u59 s MET 558 N -3.17 3.27 0.98 3.54 -1.94 -1.26 -4.98 119.30 115.74 1u59 s MET 558 Ca 0.22 2.15 -0.12 0.00 -1.71 0.00 0.00 55.69 56.22 1u59 s MET 558 Cb -0.03 -2.29 0.18 0.00 2.01 0.00 0.00 34.83 34.70 1u59 s MET 558 CO 0.13 -1.06 1.09 -1.83 -0.01 0.00 0.00 175.02 173.35 1u59 s GLU 559 N -2.86 0.60 0.05 2.03 1.03 -1.26 -4.95 118.70 113.33 1u59 s GLU 559 Ca 0.70 0.61 -0.31 0.00 0.03 0.00 0.00 54.97 56.00 1u59 s GLU 559 Cb -0.38 -1.75 -0.06 0.00 -0.80 0.00 0.00 34.13 31.14 1u59 s GLU 559 CO 0.45 -2.64 1.27 0.00 -1.33 0.00 0.00 175.26 173.01 1u59 s PRO 561 N 1.44 2.24 0.20 0.00 0.02 -1.26 -4.88 135.00 132.76 1u59 s PRO 561 Ca 0.60 1.81 -0.32 0.00 0.02 0.00 0.00 61.00 63.11 1u59 s PRO 561 Cb -0.30 -1.84 -0.13 0.00 0.02 0.00 0.00 34.50 32.25 1u59 s PRO 561 CO 0.28 -1.77 1.66 -2.30 -0.33 0.00 0.00 177.00 174.54 1u59 n PRO 562 N -2.54 2.56 -1.04 5.54 -0.02 -1.26 -2.19 135.00 136.05 1u59 n PRO 562 Ca 0.14 0.92 -0.01 0.00 -2.02 0.00 0.00 63.50 62.53 1u59 n PRO 562 Cb 0.50 -2.73 -0.01 0.00 -0.02 0.00 0.00 33.50 31.24 1u59 n PRO 562 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1u59 n GLU 563 N 3.59 -0.85 -2.91 -0.52 -0.58 -1.26 -4.95 120.64 113.16 1u59 n GLU 563 Ca 0.16 0.30 -0.41 0.00 -0.42 0.00 0.00 57.16 56.78 1u59 n GLU 563 Cb 0.33 -3.99 -0.04 0.00 -0.57 0.00 0.00 31.44 27.17 1u59 n GLU 563 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1u59 n PRO 565 N 5.31 1.21 -0.30 0.00 -0.02 -1.26 -4.75 135.00 135.19 1u59 n PRO 565 Ca 0.04 0.45 0.04 0.00 -2.02 0.00 0.00 63.50 62.01 1u59 n PRO 565 Cb 0.49 -2.17 0.18 0.00 -0.02 0.00 0.00 33.50 31.98 1u59 n PRO 565 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1u59 h PRO 566 N 1.08 0.77 -0.79 0.52 0.11 -1.99 -1.68 132.00 130.01 1u59 h PRO 566 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1u59 h PRO 566 Cb 1.34 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 1u59 h PRO 566 CO 0.54 0.51 0.50 0.93 -0.21 0.00 0.00 178.00 180.26 1u59 h GLU 567 N 0.79 1.06 0.04 1.05 3.07 -1.98 0.37 114.58 118.97 1u59 h GLU 567 Ca 0.41 -0.08 -0.00 0.00 -0.50 0.00 0.00 59.36 59.19 1u59 h GLU 567 Cb 0.41 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1u59 h GLU 567 CO -0.26 0.72 -0.02 -0.07 -1.40 0.00 0.00 179.01 177.98 1u59 h LEU 568 N 1.08 -0.04 -0.78 1.33 3.38 -1.69 -2.22 115.31 116.37 1u59 h LEU 568 Ca 0.29 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.87 1u59 h LEU 568 Cb -0.08 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 1u59 h LEU 568 CO -0.06 0.40 0.50 0.22 0.09 0.00 0.00 178.44 179.59 1u59 h TYR 569 N -0.50 0.93 -0.69 1.13 3.20 -1.00 0.18 116.97 120.22 1u59 h TYR 569 Ca -0.01 0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.96 1u59 h TYR 569 Cb 0.46 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 1u59 h TYR 569 CO 0.08 0.54 0.46 0.00 -1.64 0.00 0.00 178.16 177.59 1u59 h ALA 570 N 1.32 1.76 0.17 1.82 0.00 -0.26 0.34 119.26 124.41 1u59 h ALA 570 Ca 0.31 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1u59 h ALA 570 Cb -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1u59 h ALA 570 CO -0.11 0.12 -0.08 1.25 0.00 0.00 0.00 179.25 180.43 1u59 h LEU 571 N 0.68 -0.19 -1.47 0.00 5.85 -0.39 -1.14 115.31 118.65 1u59 h LEU 571 Ca 0.30 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1u59 h LEU 571 Cb 0.31 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1u59 h LEU 571 CO -0.10 0.30 0.06 0.00 -0.34 0.00 0.00 178.44 178.35 1u59 h MET 572 N -0.75 0.41 -0.29 1.25 -0.00 -0.78 -1.68 114.93 113.08 1u59 h MET 572 Ca -0.02 -0.06 -0.03 0.00 -0.00 0.00 0.00 59.70 59.59 1u59 h MET 572 Cb 0.52 -0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 32.03 1u59 h MET 572 CO 0.04 0.39 0.06 1.03 -0.00 0.00 0.00 176.91 178.43 1u59 h SER 573 N 0.40 0.44 0.01 -0.10 0.87 -0.30 -1.98 113.55 112.89 1u59 h SER 573 Ca 0.10 -0.24 -0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1u59 h SER 573 Cb 0.18 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1u59 h SER 573 CO -0.00 0.57 -0.01 0.44 -0.53 0.00 0.00 176.83 177.30 1u59 h ASP 574 N 0.30 0.00 0.42 6.23 3.32 -0.53 0.27 116.42 126.43 1u59 h ASP 574 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1u59 h ASP 574 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1u59 h ASP 574 CO 0.00 0.01 0.00 0.00 -1.72 0.00 0.00 179.24 177.53 1u59 n TRP 576 N -2.19 1.72 -2.22 0.00 8.01 0.95 -3.71 117.44 119.99 1u59 n TRP 576 Ca 0.01 -1.62 -0.42 0.00 -1.31 0.00 0.00 57.50 54.16 1u59 n TRP 576 Cb 0.15 -0.62 -0.03 0.00 -2.01 0.00 0.00 31.31 28.79 1u59 n TRP 576 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 1u59 s ILE 577 N -3.23 3.72 0.07 -0.99 1.01 -0.85 -4.94 121.20 115.99 1u59 s ILE 577 Ca 0.49 1.10 -0.24 0.00 0.00 0.00 0.00 60.65 61.99 1u59 s ILE 577 Cb 0.43 -3.71 -0.10 0.00 0.01 0.00 0.00 42.46 39.09 1u59 s ILE 577 CO 0.04 -0.00 1.38 0.22 0.00 0.00 0.00 174.94 176.58 1u59 h TYR 578 N 7.85 -1.06 -2.25 3.97 3.20 -1.93 -3.41 116.97 123.33 1u59 h TYR 578 Ca -0.38 0.03 -0.57 0.00 3.14 0.00 0.00 58.73 60.95 1u59 h TYR 578 Cb 1.18 0.45 0.00 0.00 1.54 0.00 0.00 36.73 39.90 1u59 h TYR 578 CO 0.75 -0.42 1.35 0.15 -1.64 0.00 0.00 178.16 178.36 1u59 s LYS 579 N -4.91 3.56 0.25 1.82 -0.14 -1.26 -4.83 119.74 114.23 1u59 s LYS 579 Ca -0.11 2.14 -0.09 0.00 -1.36 0.00 0.00 55.97 56.55 1u59 s LYS 579 Cb 0.04 -4.25 0.40 0.00 -1.68 0.00 0.00 37.83 32.34 1u59 s LYS 579 CO 0.42 -1.61 1.59 2.35 -0.76 0.00 0.00 175.35 177.34 1u59 h TRP 580 N 12.92 -0.36 -0.42 3.18 7.01 -1.96 0.17 115.95 136.48 1u59 h TRP 580 Ca -0.42 0.07 0.04 0.00 2.11 0.00 0.00 58.89 60.69 1u59 h TRP 580 Cb 1.22 0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 28.55 1u59 h TRP 580 CO 0.94 -0.35 0.28 0.93 -2.79 0.00 0.00 178.44 177.45 1u59 h GLU 581 N 0.01 0.40 -0.63 2.65 3.07 -1.95 -2.31 114.58 115.82 1u59 h GLU 581 Ca 0.42 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 1u59 h GLU 581 Cb 0.68 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 1u59 h GLU 581 CO -0.84 0.26 0.00 -0.25 -1.40 0.00 0.00 179.01 176.78 1u59 n ASP 582 N -4.48 3.40 -4.79 1.42 8.00 0.56 -4.93 116.55 115.74 1u59 n ASP 582 Ca 0.05 -2.02 -0.37 0.00 0.71 0.00 0.00 54.79 53.15 1u59 n ASP 582 Cb 0.19 -0.43 -0.06 0.00 -0.02 0.00 0.00 41.12 40.80 1u59 n ASP 582 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1u59 s ARG 583 N -1.20 4.06 0.84 -1.24 3.52 -0.87 -4.92 118.95 119.14 1u59 s ARG 583 Ca 0.42 0.31 -0.12 0.00 -0.13 0.00 0.00 55.73 56.21 1u59 s ARG 583 Cb 0.22 -3.32 0.10 0.00 -1.56 0.00 0.00 34.95 30.40 1u59 s ARG 583 CO 0.28 0.47 1.18 -1.25 -0.81 0.00 0.00 175.30 175.17 1u59 s PRO 584 N -0.32 1.46 0.36 5.12 0.04 -1.26 -5.01 135.00 135.39 1u59 s PRO 584 Ca 0.22 1.66 0.07 0.00 0.04 0.00 0.00 61.00 62.99 1u59 s PRO 584 Cb -0.15 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 1u59 s PRO 584 CO 0.10 -2.32 0.45 0.16 0.04 0.00 0.00 177.00 175.43 1u59 s ASP 585 N -2.38 5.71 0.59 6.66 3.84 -1.26 -4.80 116.67 125.03 1u59 s ASP 585 Ca 0.70 -0.34 0.39 0.00 -0.00 0.00 0.00 52.55 53.31 1u59 s ASP 585 Cb -0.26 -1.01 2.09 0.00 -1.38 0.00 0.00 42.92 42.36 1u59 s ASP 585 CO 0.53 -0.51 2.20 -0.26 -0.00 0.00 0.00 175.17 177.14 1u59 h PHE 586 N 0.91 0.00 -0.53 2.11 -1.00 -1.91 -0.90 116.94 115.62 1u59 h PHE 586 Ca -0.44 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.25 1u59 h PHE 586 Cb 1.26 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.80 1u59 h PHE 586 CO 0.45 0.00 -0.03 1.25 -1.61 0.00 0.00 178.31 178.36 1u59 h LEU 587 N 0.00 0.95 0.24 1.54 5.85 -1.94 -1.32 115.31 120.63 1u59 h LEU 587 Ca 0.00 -0.32 -0.33 0.00 0.84 0.00 0.00 57.88 58.07 1u59 h LEU 587 Cb 0.06 -0.26 0.04 0.00 0.37 0.00 0.00 40.66 40.87 1u59 h LEU 587 CO 0.00 1.04 -1.46 0.74 -0.34 0.00 0.00 178.44 178.42 1u59 h THR 588 N 0.83 1.29 -0.53 1.05 2.02 -1.61 -3.14 112.91 112.82 1u59 h THR 588 Ca 0.15 -2.69 -0.01 0.00 0.77 0.00 0.00 66.41 64.63 1u59 h THR 588 Cb 0.57 3.01 -0.02 0.00 -1.74 0.00 0.00 68.15 69.97 1u59 h THR 588 CO 0.03 0.81 0.29 0.58 0.37 0.00 0.00 175.52 177.60 1u59 h VAL 589 N 0.16 1.18 0.08 3.16 2.07 -1.22 -0.40 116.25 121.28 1u59 h VAL 589 Ca -0.25 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 1u59 h VAL 589 Cb 2.15 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1u59 h VAL 589 CO 0.27 0.19 -0.04 -0.08 0.02 0.00 0.00 177.57 177.93 1u59 h GLU 590 N 0.70 -0.11 -0.69 1.57 4.22 -1.36 0.60 114.58 119.52 1u59 h GLU 590 Ca 0.19 0.01 0.03 0.00 0.08 0.00 0.00 59.36 59.66 1u59 h GLU 590 Cb 0.05 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1u59 h GLU 590 CO -0.03 0.03 0.45 -0.56 -2.18 0.00 0.00 179.01 176.73 1u59 h GLN 591 N -0.23 0.82 0.04 1.92 3.07 -1.47 0.48 115.11 119.74 1u59 h GLN 591 Ca -0.01 -0.05 -0.26 0.00 0.09 0.00 0.00 58.65 58.42 1u59 h GLN 591 Cb 0.19 -0.18 0.01 0.00 0.08 0.00 0.00 27.48 27.58 1u59 h GLN 591 CO 0.02 0.54 -1.06 0.00 0.09 0.00 0.00 178.83 178.42 1u59 h ARG 592 N 0.84 0.51 -0.26 0.06 3.08 -0.65 -2.94 114.38 115.02 1u59 h ARG 592 Ca 0.27 -0.60 -0.10 0.00 0.07 0.00 0.00 59.98 59.62 1u59 h ARG 592 Cb 0.03 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1u59 h ARG 592 CO -0.07 1.23 -0.26 1.98 -1.07 0.00 0.00 179.97 181.77 1u59 h MET 593 N 0.27 0.51 -0.20 0.04 4.05 0.91 -2.12 114.93 118.38 1u59 h MET 593 Ca -0.12 -0.20 -0.00 0.00 -0.28 0.00 0.00 59.70 59.10 1u59 h MET 593 Cb 1.71 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 32.48 1u59 h MET 593 CO 0.19 0.73 0.12 -0.09 0.23 0.00 0.00 176.91 178.09 1u59 h ARG 594 N 0.44 0.27 -0.26 0.39 2.43 -0.05 -0.38 114.38 117.23 1u59 h ARG 594 Ca 0.06 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1u59 h ARG 594 Cb 0.69 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1u59 h ARG 594 CO 0.05 0.21 0.08 0.00 -1.51 0.00 0.00 179.97 178.80 1u59 h ALA 595 N 1.04 0.34 -0.92 2.80 0.00 -1.39 -1.06 119.26 120.07 1u59 h ALA 595 Ca 0.07 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1u59 h ALA 595 Cb 0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1u59 h ALA 595 CO -0.01 -0.03 0.60 0.00 0.00 0.00 0.00 179.25 179.81 1u59 h TYR 597 N 1.25 -0.37 -0.16 0.00 3.20 -0.81 -2.94 116.97 117.14 1u59 h TYR 597 Ca 0.34 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.24 1u59 h TYR 597 Cb -0.12 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1u59 h TYR 597 CO 0.00 -0.02 0.12 1.88 -1.64 0.00 0.00 178.16 178.50 1u59 h TYR 598 N -0.84 0.00 0.14 -3.82 -1.99 -1.17 0.68 116.97 109.98 1u59 h TYR 598 Ca -0.04 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.68 1u59 h TYR 598 Cb 0.52 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.25 1u59 h TYR 598 CO 0.04 0.00 -0.07 1.03 -0.00 0.00 0.00 178.16 179.16 1u59 h SER 599 N 0.00 -0.16 0.19 3.88 0.87 -1.34 -1.03 113.55 115.95 1u59 h SER 599 Ca 0.07 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 1u59 h SER 599 Cb 0.31 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1u59 h SER 599 CO -0.00 0.01 -0.09 -0.07 -0.53 0.00 0.00 176.83 176.15 1u59 h LEU 600 N -0.33 -0.21 -1.86 2.23 3.38 -1.16 -3.02 115.31 114.33 1u59 h LEU 600 Ca -0.02 -0.13 0.17 0.00 0.09 0.00 0.00 57.88 57.99 1u59 h LEU 600 Cb 0.27 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1u59 h LEU 600 CO 0.03 0.01 0.46 0.00 0.09 0.00 0.00 178.44 179.03 1u59 h ALA 601 N 0.35 2.43 0.00 1.53 0.00 -0.89 0.38 119.26 123.05 1u59 h ALA 601 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1u59 h ALA 601 Cb 0.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1u59 h ALA 601 CO 0.04 -0.61 0.00 -1.13 0.00 0.00 0.00 179.25 177.55 1u59 n SER 602 N -4.40 0.00 -0.37 0.00 3.41 -0.39 -2.62 113.62 109.24 1u59 n SER 602 Ca 0.13 -0.60 0.04 0.00 -0.26 0.00 0.00 58.87 58.17 1u59 n SER 602 Cb 0.64 -0.05 0.05 0.00 -0.26 0.00 0.00 64.21 64.58 1u59 n SER 602 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1u59 n LYS 603 N -1.05 0.60 -2.81 4.33 5.02 0.12 -5.02 118.16 119.34 1u59 n LYS 603 Ca 0.16 -1.15 -0.31 0.00 -2.02 0.00 0.00 58.31 54.99 1u59 n LYS 603 Cb 0.10 -1.17 -0.04 0.00 -0.02 0.00 0.00 35.03 33.90 1u59 n LYS 603 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1u59 s VAL 604 N -0.76 4.69 -0.10 -0.18 1.01 -1.08 -5.08 120.40 118.90 1u59 s VAL 604 Ca 0.11 0.85 -0.02 0.00 0.00 0.00 0.00 61.98 62.92 1u59 s VAL 604 Cb 0.08 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1u59 s VAL 604 CO 0.11 -0.48 -0.00 -1.61 0.00 0.00 0.00 175.10 173.12 1u59 s GLU 605 N -3.69 3.09 0.82 2.72 0.41 -1.26 -4.99 118.70 115.80 1u59 s GLU 605 Ca 0.54 -0.42 0.00 0.00 -0.41 0.00 0.00 54.97 54.68 1u59 s GLU 605 Cb -0.10 -2.82 0.00 0.00 -1.78 0.00 0.00 34.13 29.43 1u59 s GLU 605 CO 0.28 0.64 0.00 0.41 -0.49 0.00 0.00 175.26 176.09 1u59 n GLY 606 N 2.35 -1.85 3.78 -1.39 0.00 -1.26 -5.07 105.19 101.75 1u59 n GLY 606 Ca -0.18 -1.64 0.01 0.00 0.00 0.00 0.00 46.02 44.20 1u59 n GLY 606 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1u59 s HIS 607 N 0.00 -0.02 0.14 1.61 -3.43 -1.26 -5.17 115.29 107.16 1u59 s HIS 607 Ca 0.00 -0.16 0.03 0.00 -0.80 0.00 0.00 55.06 54.13 1u59 s HIS 607 Cb 0.00 0.59 -0.01 0.00 -1.43 0.00 0.00 32.58 31.73 1u59 s HIS 607 CO 0.00 -0.44 0.11 -2.39 -2.00 0.00 0.00 174.74 170.01 1u59 n HIS 608 N -0.64 -0.28 -3.73 0.38 1.44 -1.26 -5.19 115.22 105.94 1u59 n HIS 608 Ca -0.04 -1.12 -0.25 0.00 -2.01 0.00 0.00 57.72 54.29 1u59 n HIS 608 Cb 0.61 0.10 0.01 0.00 0.12 0.00 0.00 29.99 30.84 1u59 n HIS 608 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 1u59 s HIS 609 N -2.50 1.43 0.01 -1.40 3.76 0.14 -5.02 115.29 111.72 1u59 s HIS 609 Ca 0.15 -0.86 -0.30 0.00 -0.15 0.00 0.00 55.06 53.90 1u59 s HIS 609 Cb 0.01 -1.95 -0.08 0.00 1.11 0.00 0.00 32.58 31.67 1u59 s HIS 609 CO 0.11 -0.68 1.81 -1.58 -0.85 0.00 0.00 174.74 173.55 1u59 s HIS 610 N -2.79 1.70 -1.10 1.40 2.46 -1.26 -2.17 115.29 113.53 1u59 s HIS 610 Ca 0.38 -0.12 0.00 0.00 0.47 0.00 0.00 55.06 55.79 1u59 s HIS 610 Cb -0.03 -4.09 0.00 0.00 -0.13 0.00 0.00 32.58 28.33 1u59 s HIS 610 CO 0.24 -4.73 0.00 0.72 -2.47 0.00 0.00 174.74 168.50 1u59 n HIS 611 N 7.10 -0.77 -1.67 3.88 8.25 -1.26 -5.10 115.22 125.63 1u59 n HIS 611 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 1u59 n HIS 611 Cb 0.41 -2.39 0.00 0.00 1.12 0.00 0.00 29.99 29.14 1u59 n HIS 611 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56