#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aug n HIS 431 N 0.00 2.11 -1.99 7.33 -0.00 -1.26 -1.74 115.22 119.67 2aug n HIS 431 Ca 0.00 0.35 -0.17 0.00 0.46 0.00 0.00 57.72 58.36 2aug n HIS 431 Cb 0.00 -2.52 -0.04 0.00 -0.12 0.00 0.00 29.99 27.31 2aug n HIS 431 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 2aug n MET 432 N 5.42 -1.67 -0.07 1.57 0.00 -1.26 -4.84 117.12 116.28 2aug n MET 432 Ca 0.24 0.92 0.23 0.00 0.00 0.00 0.00 57.70 59.08 2aug n MET 432 Cb 0.20 -5.41 0.69 0.00 0.00 0.00 0.00 33.22 28.70 2aug n MET 432 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 175.97 176.94 2aug h ILE 433 N 0.00 0.68 0.00 2.02 6.09 -1.82 0.11 117.51 124.59 2aug h ILE 433 Ca -0.38 -0.01 -0.01 0.00 -1.37 0.00 0.00 64.86 63.09 2aug h ILE 433 Cb 1.22 0.65 -0.00 0.00 0.47 0.00 0.00 36.82 39.16 2aug h ILE 433 CO 0.50 0.00 -0.04 1.12 -3.07 0.00 0.00 178.15 176.66 2aug h HIS 434 N 0.02 0.00 -0.01 2.19 2.07 -1.88 -2.69 115.15 114.85 2aug h HIS 434 Ca 0.32 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.84 2aug h HIS 434 Cb 1.23 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.21 2aug h HIS 434 CO -0.00 0.04 0.02 0.00 -3.07 0.00 0.00 177.93 174.92 2aug h ARG 435 N 0.00 0.00 -0.23 5.12 2.47 -1.14 -2.23 114.38 118.38 2aug h ARG 435 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2aug h ARG 435 Cb 0.12 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 2aug h ARG 435 CO 0.01 0.00 0.00 0.43 0.56 0.00 0.00 179.97 180.97 2aug n SER 436 N -3.61 1.96 -4.78 7.04 7.64 -1.01 -4.89 113.62 115.96 2aug n SER 436 Ca -0.03 -1.79 -0.39 0.00 1.01 0.00 0.00 58.87 57.68 2aug n SER 436 Cb 0.10 -0.15 -0.06 0.00 -1.01 0.00 0.00 64.21 63.09 2aug n SER 436 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2aug s GLN 437 N -1.71 4.23 0.55 1.43 -1.52 -0.84 -4.98 119.66 116.82 2aug s GLN 437 Ca 0.32 0.66 0.23 0.00 -1.95 0.00 0.00 55.36 54.63 2aug s GLN 437 Cb 0.18 -3.30 1.48 0.00 -0.22 0.00 0.00 33.01 31.14 2aug s GLN 437 CO 0.26 0.48 2.12 -1.00 -0.25 0.00 0.00 175.29 176.90 2aug h PRO 438 N 5.25 0.00 -0.00 2.91 0.13 -1.90 -1.65 132.00 136.74 2aug h PRO 438 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2aug h PRO 438 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2aug h PRO 438 CO 0.67 0.00 -0.09 -2.67 -0.23 0.00 0.00 178.00 175.68 2aug n TRP 439 N -4.22 0.00 -3.41 1.56 4.27 -1.26 -4.33 117.44 110.06 2aug n TRP 439 Ca 0.01 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.25 2aug n TRP 439 Cb 0.26 -0.33 -0.07 0.00 -1.36 0.00 0.00 31.31 29.82 2aug n TRP 439 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 2aug s PHE 440 N -2.74 3.47 -0.32 -2.67 5.36 -0.62 -1.19 117.98 119.26 2aug s PHE 440 Ca 0.21 0.73 0.02 0.00 -0.96 0.00 0.00 56.93 56.93 2aug s PHE 440 Cb 0.19 -2.47 0.08 0.00 -0.34 0.00 0.00 43.02 40.48 2aug s PHE 440 CO 0.52 0.16 0.02 -1.01 -1.46 0.00 0.00 175.22 173.45 2aug s HIS 441 N 0.71 3.52 -0.05 10.12 3.76 -0.15 -4.88 115.29 128.32 2aug s HIS 441 Ca 0.21 -2.54 -0.30 0.00 -0.15 0.00 0.00 55.06 52.28 2aug s HIS 441 Cb -0.14 -2.57 -0.06 0.00 1.11 0.00 0.00 32.58 30.93 2aug s HIS 441 CO 0.07 -0.91 1.64 -1.58 -0.85 0.00 0.00 174.74 173.12 2aug s HIS 442 N 1.05 2.01 -1.41 1.40 2.46 -1.26 -3.89 115.29 115.65 2aug s HIS 442 Ca 0.02 0.22 -0.05 0.00 0.47 0.00 0.00 55.06 55.72 2aug s HIS 442 Cb -0.20 -3.91 0.03 0.00 -0.13 0.00 0.00 32.58 28.37 2aug s HIS 442 CO -0.05 -3.80 0.71 1.63 -2.47 0.00 0.00 174.74 170.75 2aug n LYS 443 N 7.05 -4.58 -4.03 2.88 5.02 -1.26 -4.99 118.16 118.26 2aug n LYS 443 Ca 0.17 0.55 -0.22 0.00 -2.02 0.00 0.00 58.31 56.79 2aug n LYS 443 Cb 0.43 -5.10 -0.03 0.00 -0.02 0.00 0.00 35.03 30.31 2aug n LYS 443 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2aug s ILE 444 N -3.63 4.92 0.74 -0.18 -4.36 -1.25 -5.04 121.20 112.40 2aug s ILE 444 Ca 0.21 -1.12 -0.06 0.00 -0.26 0.00 0.00 60.65 59.43 2aug s ILE 444 Cb -0.11 -3.65 0.10 0.00 1.25 0.00 0.00 42.46 40.06 2aug s ILE 444 CO 0.84 -0.30 1.04 -0.94 0.24 0.00 0.00 174.94 175.82 2aug s SER 445 N -3.80 4.44 0.17 4.36 1.04 -1.26 -4.77 113.70 113.88 2aug s SER 445 Ca 0.33 0.16 -0.11 0.00 0.48 0.00 0.00 55.95 56.81 2aug s SER 445 Cb -0.09 -0.66 0.06 0.00 0.10 0.00 0.00 66.02 65.43 2aug s SER 445 CO 0.27 -1.82 1.66 -0.09 0.98 0.00 0.00 173.24 174.24 2aug h ARG 446 N -0.70 0.95 -0.45 4.02 2.43 -1.99 -0.73 114.38 117.92 2aug h ARG 446 Ca -0.42 -0.25 0.01 0.00 -0.81 0.00 0.00 59.98 58.51 2aug h ARG 446 Cb 1.29 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 2aug h ARG 446 CO 0.50 0.90 0.29 -0.44 -1.51 0.00 0.00 179.97 179.71 2aug h ASP 447 N 0.85 0.49 -0.52 -3.80 3.32 -1.99 -0.73 116.42 114.03 2aug h ASP 447 Ca 0.17 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 2aug h ASP 447 Cb 0.41 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 2aug h ASP 447 CO 0.01 0.35 0.30 -0.08 -1.72 0.00 0.00 179.24 178.11 2aug h GLU 448 N 0.59 0.71 -0.52 3.56 4.57 -1.88 -0.07 114.58 121.54 2aug h GLU 448 Ca 0.17 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.29 2aug h GLU 448 Cb -0.05 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.37 2aug h GLU 448 CO -0.05 0.53 0.33 0.00 -1.18 0.00 0.00 179.01 178.64 2aug h ALA 449 N 1.14 0.66 -0.64 2.92 0.00 -0.72 -0.02 119.26 122.60 2aug h ALA 449 Ca 0.18 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2aug h ALA 449 Cb 0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2aug h ALA 449 CO -0.03 0.08 0.16 1.96 0.00 0.00 0.00 179.25 181.41 2aug h GLN 450 N 0.68 1.02 -0.52 0.00 4.20 -0.82 -0.96 115.11 118.71 2aug h GLN 450 Ca 0.19 -0.24 0.01 0.00 0.06 0.00 0.00 58.65 58.67 2aug h GLN 450 Cb -0.06 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 2aug h GLN 450 CO -0.05 0.92 0.33 -0.09 -0.67 0.00 0.00 178.83 179.27 2aug h ARG 451 N 0.94 0.66 -0.38 1.46 2.43 -0.44 -0.15 114.38 118.89 2aug h ARG 451 Ca 0.20 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 2aug h ARG 451 Cb 0.36 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 2aug h ARG 451 CO 0.00 0.43 0.15 -0.07 -1.51 0.00 0.00 179.97 178.97 2aug h LEU 452 N 0.68 0.53 -0.93 3.80 3.38 -0.69 -0.37 115.31 121.71 2aug h LEU 452 Ca 0.20 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2aug h LEU 452 Cb -0.04 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2aug h LEU 452 CO -0.06 0.56 0.14 0.40 0.09 0.00 0.00 178.44 179.57 2aug h ILE 453 N 0.47 1.24 -0.56 1.22 2.04 -0.95 -2.00 117.51 118.97 2aug h ILE 453 Ca 0.13 -0.88 -0.09 0.00 1.00 0.00 0.00 64.86 65.02 2aug h ILE 453 Cb 0.20 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2aug h ILE 453 CO -0.01 0.33 -0.00 0.40 0.00 0.00 0.00 178.15 178.87 2aug h ILE 454 N 0.88 1.26 -0.34 -0.67 2.04 -0.71 -1.56 117.51 118.40 2aug h ILE 454 Ca 0.19 -1.10 -0.07 0.00 1.00 0.00 0.00 64.86 64.88 2aug h ILE 454 Cb 0.33 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 2aug h ILE 454 CO 0.00 0.40 -0.08 1.56 0.00 0.00 0.00 178.15 180.03 2aug h GLN 455 N 0.88 0.57 0.00 2.37 4.20 -0.64 -1.93 115.11 120.56 2aug h GLN 455 Ca 0.16 -0.16 -0.08 0.00 0.06 0.00 0.00 58.65 58.64 2aug h GLN 455 Cb 0.52 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2aug h GLN 455 CO 0.03 0.66 -0.37 1.96 -0.67 0.00 0.00 178.83 180.44 2aug h GLN 456 N 0.53 0.00 0.00 1.46 1.08 -1.07 -3.49 115.11 113.62 2aug h GLN 456 Ca 0.10 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 2aug h GLN 456 Cb 0.46 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 2aug h GLN 456 CO 0.02 0.37 0.00 0.41 -0.95 0.00 0.00 178.83 178.68 2aug n GLY 457 N 0.33 2.77 2.30 3.46 0.00 -0.61 -4.83 105.19 108.62 2aug n GLY 457 Ca 0.00 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 2aug n GLY 457 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2aug n LEU 458 N 0.00 7.66 -4.78 0.99 4.77 -1.26 -4.69 117.00 119.69 2aug n LEU 458 Ca 0.00 -4.21 -0.39 0.00 -0.03 0.00 0.00 56.01 51.38 2aug n LEU 458 Cb 0.00 -1.45 -0.06 0.00 -2.33 0.00 0.00 43.42 39.58 2aug n LEU 458 CO 0.00 1.96 0.25 -0.69 -1.33 0.00 0.00 177.39 177.59 2aug s VAL 459 N 0.72 4.89 0.20 4.08 1.01 -1.26 -4.31 120.40 125.74 2aug s VAL 459 Ca 0.65 1.17 -0.32 0.00 0.00 0.00 0.00 61.98 63.47 2aug s VAL 459 Cb 0.23 -3.89 -0.13 0.00 0.00 0.00 0.00 36.38 32.59 2aug s VAL 459 CO -0.07 0.47 1.57 0.47 0.00 0.00 0.00 175.10 177.54 2aug n ASP 460 N 2.41 3.29 0.00 3.32 8.00 -1.26 -2.04 116.55 130.27 2aug n ASP 460 Ca -0.09 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.51 2aug n ASP 460 Cb 0.51 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.13 2aug n ASP 460 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2aug n GLY 461 N 3.09 2.65 3.74 0.44 0.00 -0.83 -4.78 105.19 109.50 2aug n GLY 461 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2aug n GLY 461 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aug s VAL 462 N -2.72 2.69 0.36 1.61 1.01 -0.86 -0.64 120.40 121.83 2aug s VAL 462 Ca 0.00 0.56 -0.13 0.00 0.00 0.00 0.00 61.98 62.40 2aug s VAL 462 Cb 0.00 -3.36 0.04 0.00 0.00 0.00 0.00 36.38 33.06 2aug s VAL 462 CO 0.00 0.08 0.70 0.72 0.00 0.00 0.00 175.10 176.60 2aug s PHE 463 N 0.24 0.30 0.01 5.22 -0.71 0.14 -1.52 117.98 121.66 2aug s PHE 463 Ca 0.61 -0.84 -0.28 0.00 -1.04 0.00 0.00 56.93 55.38 2aug s PHE 463 Cb -0.42 0.60 0.10 0.00 -1.21 0.00 0.00 43.02 42.09 2aug s PHE 463 CO 0.41 -1.41 0.86 -0.48 -1.34 0.00 0.00 175.22 173.25 2aug s LEU 464 N -3.09 -0.39 -0.01 -1.99 0.05 -0.55 -1.85 118.68 110.84 2aug s LEU 464 Ca 0.19 0.02 0.07 0.00 0.05 0.00 0.00 54.13 54.45 2aug s LEU 464 Cb -0.04 2.09 -0.02 0.00 -2.05 0.00 0.00 46.19 46.17 2aug s LEU 464 CO 0.13 -0.65 -0.22 -0.69 -0.55 0.00 0.00 176.35 174.36 2aug s VAL 465 N -3.11 1.74 0.06 1.48 1.01 -0.33 -1.52 120.40 119.73 2aug s VAL 465 Ca 0.04 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 2aug s VAL 465 Cb -0.01 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 2aug s VAL 465 CO -0.09 0.45 0.03 0.00 0.00 0.00 0.00 175.10 175.50 2aug s ARG 466 N -0.61 0.67 0.57 2.72 1.70 -0.56 -0.98 118.95 122.46 2aug s ARG 466 Ca 0.08 -1.14 -0.19 0.00 -0.47 0.00 0.00 55.73 54.01 2aug s ARG 466 Cb -0.09 0.25 -0.04 0.00 -0.57 0.00 0.00 34.95 34.50 2aug s ARG 466 CO -0.00 -0.15 1.20 -0.51 -1.08 0.00 0.00 175.30 174.75 2aug s ASP 467 N -2.90 5.37 0.57 -2.89 1.01 -1.26 -0.86 116.67 115.72 2aug s ASP 467 Ca 0.06 2.38 -0.18 0.00 0.71 0.00 0.00 52.55 55.52 2aug s ASP 467 Cb 0.07 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 2aug s ASP 467 CO -0.10 -1.47 1.10 -0.94 0.21 0.00 0.00 175.17 173.96 2aug s SER 468 N -1.55 5.65 0.25 0.27 1.04 -0.08 -4.67 113.70 114.62 2aug s SER 468 Ca 0.75 2.03 0.24 0.00 0.48 0.00 0.00 55.95 59.46 2aug s SER 468 Cb -0.30 -2.56 0.46 0.00 0.10 0.00 0.00 66.02 63.72 2aug s SER 468 CO 0.33 -1.26 1.52 1.56 0.98 0.00 0.00 173.24 176.37 2aug h GLN 469 N 0.80 0.00 -6.13 4.02 4.20 -1.90 -3.45 115.11 112.65 2aug h GLN 469 Ca -0.49 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 57.71 2aug h GLN 469 Cb 1.24 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.01 2aug h GLN 469 CO 0.56 0.00 -0.43 -1.54 -0.67 0.00 0.00 178.83 176.75 2aug s SER 470 N -5.03 6.34 0.08 1.46 1.04 -1.26 -5.11 113.70 111.21 2aug s SER 470 Ca 0.07 0.18 0.05 0.00 0.48 0.00 0.00 55.95 56.73 2aug s SER 470 Cb 0.10 -1.91 -0.04 0.00 0.10 0.00 0.00 66.02 64.27 2aug s SER 470 CO 0.67 -0.01 -0.05 0.20 0.98 0.00 0.00 173.24 175.03 2aug s ASN 471 N -3.48 4.71 0.84 7.02 0.01 -1.26 -3.98 114.94 118.79 2aug s ASN 471 Ca 0.35 -0.25 -0.12 0.00 -0.71 0.00 0.00 52.86 52.14 2aug s ASN 471 Cb -0.10 -1.04 0.10 0.00 0.41 0.00 0.00 41.25 40.62 2aug s ASN 471 CO 0.29 0.20 1.17 -2.84 -1.51 0.00 0.00 177.10 174.41 2aug s PRO 472 N -2.07 1.45 0.06 -0.60 0.02 -1.26 -5.08 135.00 127.53 2aug s PRO 472 Ca 0.22 1.62 -0.31 0.00 0.02 0.00 0.00 61.00 62.56 2aug s PRO 472 Cb -0.11 -1.77 -0.08 0.00 0.02 0.00 0.00 34.50 32.56 2aug s PRO 472 CO 0.14 -2.33 1.55 -1.59 -0.33 0.00 0.00 177.00 174.45 2aug s LYS 473 N -4.39 4.23 0.00 5.54 0.00 -1.26 -4.98 119.74 118.88 2aug s LYS 473 Ca 0.70 2.21 0.00 0.00 0.00 0.00 0.00 55.97 58.87 2aug s LYS 473 Cb -0.25 -3.52 0.00 0.00 0.00 0.00 0.00 37.83 34.06 2aug s LYS 473 CO 0.54 -0.65 0.00 0.25 0.00 0.00 0.00 175.35 175.48 2aug n THR 474 N 4.57 0.00 -4.34 3.79 -2.24 -1.26 -4.99 114.28 109.80 2aug n THR 474 Ca 0.14 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.75 2aug n THR 474 Cb 0.41 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.54 2aug n THR 474 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2aug s PHE 475 N -1.15 1.61 -0.01 4.78 0.08 -0.72 -0.90 117.98 121.67 2aug s PHE 475 Ca 0.00 -0.88 0.01 0.00 0.12 0.00 0.00 56.93 56.18 2aug s PHE 475 Cb 0.00 -0.93 -0.00 0.00 -0.57 0.00 0.00 43.02 41.52 2aug s PHE 475 CO 0.00 0.02 -0.04 0.08 -0.10 0.00 0.00 175.22 175.18 2aug s VAL 476 N -3.35 0.32 -0.26 -0.44 1.01 -0.04 0.59 120.40 118.23 2aug s VAL 476 Ca 0.28 -0.16 -0.08 0.00 0.00 0.00 0.00 61.98 62.02 2aug s VAL 476 Cb 0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 2aug s VAL 476 CO 0.09 0.10 0.09 -0.22 0.00 0.00 0.00 175.10 175.16 2aug s LEU 477 N 0.01 3.59 -0.16 3.92 2.96 0.65 -1.50 118.68 128.15 2aug s LEU 477 Ca 0.00 -0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 53.66 2aug s LEU 477 Cb -0.03 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 2aug s LEU 477 CO -0.00 -0.06 -0.10 -0.44 -1.32 0.00 0.00 176.35 174.43 2aug s SER 478 N 1.63 4.18 0.11 3.68 0.01 -0.57 -0.67 113.70 122.06 2aug s SER 478 Ca 0.06 -0.32 -0.10 0.00 1.31 0.00 0.00 55.95 56.90 2aug s SER 478 Cb -0.15 -1.67 0.00 0.00 0.21 0.00 0.00 66.02 64.41 2aug s SER 478 CO 0.05 0.12 0.25 0.00 0.41 0.00 0.00 173.24 174.06 2aug s MET 479 N 0.65 0.95 -0.04 12.44 0.23 -0.37 -1.49 119.30 131.67 2aug s MET 479 Ca -0.05 -0.96 0.02 0.00 -1.03 0.00 0.00 55.69 53.67 2aug s MET 479 Cb -0.15 0.37 -0.03 0.00 -1.53 0.00 0.00 34.83 33.49 2aug s MET 479 CO 0.02 -0.32 -0.07 -1.54 -2.03 0.00 0.00 175.02 171.08 2aug s SER 480 N -2.87 4.65 -0.24 -1.18 1.04 -0.58 0.58 113.70 115.10 2aug s SER 480 Ca 0.07 -0.07 -0.22 0.00 0.48 0.00 0.00 55.95 56.21 2aug s SER 480 Cb 0.04 -1.13 0.06 0.00 0.10 0.00 0.00 66.02 65.09 2aug s SER 480 CO -0.09 0.33 0.64 -2.28 0.98 0.00 0.00 173.24 172.82 2aug s HIS 481 N -0.90 -0.73 -1.48 5.02 5.04 0.74 -1.96 115.29 121.02 2aug s HIS 481 Ca 0.15 1.74 -0.06 0.00 -1.54 0.00 0.00 55.06 55.35 2aug s HIS 481 Cb -0.11 0.27 0.02 0.00 0.04 0.00 0.00 32.58 32.80 2aug s HIS 481 CO 0.04 -0.35 0.57 0.41 -2.34 0.00 0.00 174.74 173.07 2aug n GLY 482 N 2.88 -0.51 2.42 1.59 0.00 -1.26 -1.01 105.19 109.29 2aug n GLY 482 Ca -0.14 0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 2aug n GLY 482 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2aug n GLN 483 N -3.95 -1.00 -4.18 1.61 1.13 -1.26 -4.99 117.38 104.74 2aug n GLN 483 Ca -0.09 1.00 -0.17 0.00 -1.94 0.00 0.00 57.00 55.80 2aug n GLN 483 Cb 0.60 -5.10 -0.11 0.00 0.11 0.00 0.00 30.24 25.73 2aug n GLN 483 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2aug s LYS 484 N -3.20 0.86 -0.25 -1.09 1.02 -0.18 -5.05 119.74 111.85 2aug s LYS 484 Ca 0.00 -1.05 -0.11 0.00 0.02 0.00 0.00 55.97 54.83 2aug s LYS 484 Cb 0.00 -0.75 -0.05 0.00 -0.52 0.00 0.00 37.83 36.51 2aug s LYS 484 CO 0.00 0.15 0.18 0.42 -0.92 0.00 0.00 175.35 175.19 2aug s ILE 485 N -1.73 5.33 -0.02 2.17 1.01 -1.26 -0.18 121.20 126.52 2aug s ILE 485 Ca 0.02 0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.90 2aug s ILE 485 Cb -0.07 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.84 2aug s ILE 485 CO 0.02 0.30 -0.08 -0.54 0.00 0.00 0.00 174.94 174.64 2aug s LYS 486 N 1.34 2.58 -0.07 2.79 -0.14 0.20 -4.95 119.74 121.49 2aug s LYS 486 Ca 0.08 -0.68 0.05 0.00 -1.36 0.00 0.00 55.97 54.06 2aug s LYS 486 Cb -0.14 -2.50 -0.01 0.00 -1.68 0.00 0.00 37.83 33.49 2aug s LYS 486 CO 0.07 0.62 -0.23 -1.01 -0.76 0.00 0.00 175.35 174.04 2aug s HIS 487 N -0.92 2.51 -0.12 3.18 3.76 -1.26 -1.24 115.29 121.20 2aug s HIS 487 Ca 0.15 -0.68 -0.00 0.00 -0.15 0.00 0.00 55.06 54.38 2aug s HIS 487 Cb -0.11 -1.63 0.03 0.00 1.11 0.00 0.00 32.58 31.97 2aug s HIS 487 CO 0.05 -0.19 -0.09 -0.06 -0.85 0.00 0.00 174.74 173.61 2aug s PHE 488 N -0.15 1.61 0.23 1.40 0.08 0.15 -4.95 117.98 116.35 2aug s PHE 488 Ca -0.04 -0.84 -0.30 0.00 0.12 0.00 0.00 56.93 55.88 2aug s PHE 488 Cb -0.14 -1.30 -0.09 0.00 -0.57 0.00 0.00 43.02 40.92 2aug s PHE 488 CO 0.04 -0.55 1.24 -1.14 -0.10 0.00 0.00 175.22 174.71 2aug s GLN 489 N 1.67 4.46 -0.33 0.44 2.00 -1.26 -0.25 119.66 126.38 2aug s GLN 489 Ca 0.05 1.98 -0.06 0.00 -2.00 0.00 0.00 55.36 55.33 2aug s GLN 489 Cb -0.13 -3.19 0.04 0.00 0.80 0.00 0.00 33.01 30.53 2aug s GLN 489 CO -0.09 -0.11 0.09 0.42 -0.50 0.00 0.00 175.29 175.11 2aug s ILE 490 N -0.38 3.71 0.23 -2.34 1.01 0.20 -4.33 121.20 119.30 2aug s ILE 490 Ca 0.52 -1.14 0.09 0.00 0.00 0.00 0.00 60.65 60.13 2aug s ILE 490 Cb -0.35 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 2aug s ILE 490 CO 0.41 -0.16 -0.04 0.27 0.00 0.00 0.00 174.94 175.42 2aug s ILE 491 N 1.39 3.36 0.06 2.92 -4.36 0.07 -1.76 121.20 122.88 2aug s ILE 491 Ca -0.02 -1.80 -0.21 0.00 -0.26 0.00 0.00 60.65 58.36 2aug s ILE 491 Cb -0.19 -2.74 -0.06 0.00 1.25 0.00 0.00 42.46 40.71 2aug s ILE 491 CO 0.02 -0.27 0.62 -2.16 0.24 0.00 0.00 174.94 173.39 2aug s PRO 492 N -3.33 4.30 -0.03 0.37 0.04 -1.26 -1.13 135.00 133.97 2aug s PRO 492 Ca 0.29 0.81 0.04 0.00 0.04 0.00 0.00 61.00 62.18 2aug s PRO 492 Cb -0.07 -3.28 -0.00 0.00 0.04 0.00 0.00 34.50 31.18 2aug s PRO 492 CO 0.18 0.52 -0.15 0.14 0.04 0.00 0.00 177.00 177.73 2aug s VAL 493 N -0.74 1.26 -0.16 -0.36 -7.23 0.17 -4.93 120.40 108.42 2aug s VAL 493 Ca 0.31 -0.64 -0.11 0.00 -1.81 0.00 0.00 61.98 59.73 2aug s VAL 493 Cb -0.20 -1.08 -0.05 0.00 0.56 0.00 0.00 36.38 35.62 2aug s VAL 493 CO 0.20 0.36 0.20 -0.70 -0.31 0.00 0.00 175.10 174.85 2aug s GLU 494 N -0.05 4.02 -0.16 4.82 -6.30 -1.26 -0.75 118.70 119.03 2aug s GLU 494 Ca -0.01 -0.07 -0.05 0.00 -2.50 0.00 0.00 54.97 52.35 2aug s GLU 494 Cb -0.09 -3.36 0.08 0.00 0.00 0.00 0.00 34.13 30.76 2aug s GLU 494 CO 0.01 0.41 0.29 0.34 0.02 0.00 0.00 175.26 176.33 2aug s ASP 495 N -0.01 0.40 -1.50 -1.70 -1.08 -0.08 -4.91 116.67 107.79 2aug s ASP 495 Ca 0.13 0.50 -0.10 0.00 -0.52 0.00 0.00 52.55 52.57 2aug s ASP 495 Cb -0.12 0.77 0.07 0.00 -1.46 0.00 0.00 42.92 42.18 2aug s ASP 495 CO 0.02 -0.26 0.79 -0.90 0.52 0.00 0.00 175.17 175.34 2aug n ASP 496 N 5.35 -2.99 0.00 -0.34 5.75 -1.26 -0.79 116.55 122.28 2aug n ASP 496 Ca -0.06 -0.88 0.00 0.00 -0.01 0.00 0.00 54.79 53.84 2aug n ASP 496 Cb 0.50 -3.54 0.00 0.00 -1.03 0.00 0.00 41.12 37.05 2aug n ASP 496 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2aug n GLY 497 N -1.66 0.69 3.57 6.12 0.00 -1.26 -5.01 105.19 107.64 2aug n GLY 497 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 2aug n GLY 497 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2aug s GLU 498 N -0.28 2.51 -0.11 1.61 1.03 0.03 -5.12 118.70 118.37 2aug s GLU 498 Ca 0.00 -0.73 -0.05 0.00 0.03 0.00 0.00 54.97 54.22 2aug s GLU 498 Cb 0.00 -2.46 -0.04 0.00 -0.80 0.00 0.00 34.13 30.83 2aug s GLU 498 CO 0.00 0.60 0.08 -1.64 -1.33 0.00 0.00 175.26 172.98 2aug s MET 499 N -1.32 3.28 0.10 -4.83 1.00 -1.26 -0.90 119.30 115.37 2aug s MET 499 Ca 0.16 -0.24 0.02 0.00 0.00 0.00 0.00 55.69 55.63 2aug s MET 499 Cb -0.11 -3.04 -0.04 0.00 0.00 0.00 0.00 34.83 31.64 2aug s MET 499 CO 0.06 0.73 -0.08 -0.06 0.00 0.00 0.00 175.02 175.68 2aug s PHE 500 N -0.93 0.97 0.01 -0.03 0.40 0.07 -4.82 117.98 113.65 2aug s PHE 500 Ca 0.14 -0.83 0.00 0.00 -0.60 0.00 0.00 56.93 55.64 2aug s PHE 500 Cb -0.12 -0.54 -0.04 0.00 0.51 0.00 0.00 43.02 42.84 2aug s PHE 500 CO 0.03 -0.08 0.08 -1.01 0.70 0.00 0.00 175.22 174.93 2aug s HIS 501 N -3.29 3.26 0.01 0.36 3.76 0.57 0.45 115.29 120.42 2aug s HIS 501 Ca 0.11 0.18 -0.28 0.00 -0.15 0.00 0.00 55.06 54.92 2aug s HIS 501 Cb 0.03 -1.72 0.07 0.00 1.11 0.00 0.00 32.58 32.07 2aug s HIS 501 CO -0.03 0.54 0.64 -0.08 -0.85 0.00 0.00 174.74 174.96 2aug s THR 502 N -1.22 0.00 0.00 1.30 -1.32 -0.29 -1.25 115.64 112.88 2aug s THR 502 Ca 0.24 -0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.69 2aug s THR 502 Cb -0.12 -0.99 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 2aug s THR 502 CO 0.15 -0.01 0.34 0.00 -2.21 0.00 0.00 174.62 172.89 2aug n LEU 503 N 0.53 0.69 -2.08 9.08 -0.00 -1.26 -0.75 117.00 123.20 2aug n LEU 503 Ca -0.18 -0.71 -0.21 0.00 -0.00 0.00 0.00 56.01 54.90 2aug n LEU 503 Cb 0.59 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 44.04 2aug n LEU 503 CO 0.20 0.17 0.16 -0.90 -0.00 0.00 0.00 177.39 177.03 2aug n ASP 504 N -0.05 4.56 -2.48 1.45 5.75 -1.26 -4.85 116.55 119.68 2aug n ASP 504 Ca 0.00 -3.58 -0.20 0.00 -0.01 0.00 0.00 54.79 51.00 2aug n ASP 504 Cb 0.06 -0.36 0.01 0.00 -1.03 0.00 0.00 41.12 39.81 2aug n ASP 504 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2aug n ASP 505 N -0.70 -5.68 0.00 -1.12 4.64 -1.26 -2.90 116.55 109.53 2aug n ASP 505 Ca 0.40 -0.13 0.00 0.00 -1.38 0.00 0.00 54.79 53.68 2aug n ASP 505 Cb 0.95 -4.62 0.00 0.00 -1.04 0.00 0.00 41.12 36.41 2aug n ASP 505 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2aug n GLY 506 N -1.23 0.88 0.19 0.27 0.00 -1.26 -4.89 105.19 99.15 2aug n GLY 506 Ca -0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.89 2aug n GLY 506 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2aug h HIS 507 N 0.00 0.00 -3.26 1.61 3.86 -1.96 -3.38 115.15 112.02 2aug h HIS 507 Ca 0.00 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.70 2aug h HIS 507 Cb 0.00 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.07 2aug h HIS 507 CO 0.00 0.36 -0.76 0.99 0.86 0.00 0.00 177.93 179.37 2aug s THR 508 N -4.01 0.49 0.17 2.45 2.01 -1.26 -5.12 115.64 110.37 2aug s THR 508 Ca -0.02 -0.53 0.07 0.00 0.31 0.00 0.00 61.69 61.52 2aug s THR 508 Cb 0.13 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.60 2aug s THR 508 CO 0.70 -0.21 0.01 -0.13 -0.69 0.00 0.00 174.62 174.30 2aug s ARG 509 N 1.88 2.44 0.01 4.92 0.52 -1.26 -4.47 118.95 122.99 2aug s ARG 509 Ca -0.01 -1.09 -0.00 0.00 -0.52 0.00 0.00 55.73 54.11 2aug s ARG 509 Cb -0.17 -2.38 -0.01 0.00 0.52 0.00 0.00 34.95 32.91 2aug s ARG 509 CO -0.08 0.46 -0.02 -0.06 0.02 0.00 0.00 175.30 175.62 2aug s PHE 510 N -1.74 0.19 0.30 -0.53 0.08 -0.38 -4.94 117.98 110.97 2aug s PHE 510 Ca 0.28 -0.40 0.08 0.00 0.12 0.00 0.00 56.93 57.01 2aug s PHE 510 Cb -0.09 -0.14 0.46 0.00 -0.57 0.00 0.00 43.02 42.67 2aug s PHE 510 CO 0.19 -0.14 1.69 1.79 -0.10 0.00 0.00 175.22 178.64 2aug h THR 511 N 4.77 1.34 -3.70 0.64 1.35 -1.87 0.16 112.91 115.60 2aug h THR 511 Ca -0.30 -1.67 -0.07 0.00 -0.55 0.00 0.00 66.41 63.82 2aug h THR 511 Cb 1.21 1.83 -0.09 0.00 -1.73 0.00 0.00 68.15 69.37 2aug h THR 511 CO 0.43 0.49 -0.14 1.51 -0.25 0.00 0.00 175.52 177.56 2aug s ASP 512 N -6.89 -0.05 0.17 5.36 3.84 -1.26 -4.72 116.67 113.12 2aug s ASP 512 Ca -0.03 -0.97 -0.15 0.00 -0.00 0.00 0.00 52.55 51.40 2aug s ASP 512 Cb 0.13 0.58 0.11 0.00 -1.38 0.00 0.00 42.92 42.37 2aug s ASP 512 CO 0.76 -1.14 1.75 -0.07 -0.00 0.00 0.00 175.17 176.48 2aug h LEU 513 N 2.26 0.17 -0.81 2.11 3.38 -1.99 -2.56 115.31 117.88 2aug h LEU 513 Ca -0.27 0.05 0.08 0.00 0.09 0.00 0.00 57.88 57.83 2aug h LEU 513 Cb 1.25 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.96 2aug h LEU 513 CO 0.36 0.13 0.47 0.40 0.09 0.00 0.00 178.44 179.90 2aug h ILE 514 N 0.33 0.96 -0.55 1.22 2.04 -1.97 -0.70 117.51 118.84 2aug h ILE 514 Ca 0.20 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 2aug h ILE 514 Cb 0.18 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.29 2aug h ILE 514 CO -0.20 0.15 0.32 -0.61 0.00 0.00 0.00 178.15 177.81 2aug h GLN 515 N 0.83 0.75 -0.00 2.37 4.15 -1.90 -1.26 115.11 120.05 2aug h GLN 515 Ca 0.37 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.72 2aug h GLN 515 Cb 0.27 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.80 2aug h GLN 515 CO -0.21 0.56 0.00 1.25 -1.93 0.00 0.00 178.83 178.50 2aug h LEU 516 N 0.74 0.01 -0.34 -2.39 6.46 -0.87 -1.92 115.31 116.99 2aug h LEU 516 Ca 0.20 -0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.94 2aug h LEU 516 Cb 0.01 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 2aug h LEU 516 CO -0.03 0.01 0.15 0.58 -0.62 0.00 0.00 178.44 178.52 2aug h VAL 517 N 0.00 1.17 -0.39 1.05 2.07 -1.01 -2.22 116.25 116.92 2aug h VAL 517 Ca 0.00 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2aug h VAL 517 Cb 0.00 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2aug h VAL 517 CO -0.00 0.18 0.26 -0.33 0.02 0.00 0.00 177.57 177.70 2aug h GLU 518 N 0.41 0.52 0.03 1.57 5.08 -1.16 -1.61 114.58 119.41 2aug h GLU 518 Ca 0.12 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2aug h GLU 518 Cb 0.15 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2aug h GLU 518 CO -0.01 0.34 -0.01 0.35 -1.00 0.00 0.00 179.01 178.68 2aug h PHE 519 N 0.53 -0.04 0.00 4.33 3.57 -1.00 -3.03 116.94 121.30 2aug h PHE 519 Ca 0.14 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.64 2aug h PHE 519 Cb -0.06 0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.69 2aug h PHE 519 CO 0.00 0.23 0.00 0.66 -2.23 0.00 0.00 178.31 176.97 2aug n TYR 520 N -4.98 0.00 0.14 0.41 4.01 -0.87 0.61 117.16 116.48 2aug n TYR 520 Ca -0.08 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.71 2aug n TYR 520 Cb 0.16 -0.50 0.04 0.00 -0.31 0.00 0.00 39.34 38.73 2aug n TYR 520 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 2aug h GLN 521 N 0.00 0.00 0.00 -0.72 4.20 -1.19 -0.86 115.11 116.53 2aug h GLN 521 Ca 0.00 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.36 2aug h GLN 521 Cb 0.33 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.05 2aug h GLN 521 CO 0.00 0.33 -2.31 -0.11 -0.67 0.00 0.00 178.83 176.07 2aug n LEU 522 N -3.12 1.09 -4.13 1.46 7.94 -0.66 -4.61 117.00 114.98 2aug n LEU 522 Ca 0.01 -0.05 -0.26 0.00 -1.11 0.00 0.00 56.01 54.60 2aug n LEU 522 Cb 0.69 -0.02 -0.16 0.00 0.53 0.00 0.00 43.42 44.46 2aug n LEU 522 CO 0.39 0.62 -0.50 0.20 -1.11 0.00 0.00 177.39 177.00 2aug s ASN 523 N -5.67 2.12 0.04 1.96 0.01 0.20 -5.05 114.94 108.55 2aug s ASN 523 Ca -0.18 -0.35 -0.20 0.00 -0.71 0.00 0.00 52.86 51.42 2aug s ASN 523 Cb 0.07 -0.61 -0.14 0.00 0.41 0.00 0.00 41.25 40.98 2aug s ASN 523 CO 0.69 0.14 1.38 0.50 -1.51 0.00 0.00 177.10 178.30 2aug h LYS 524 N 6.30 0.35 0.00 -0.60 3.64 -1.85 -3.35 116.57 121.06 2aug h LYS 524 Ca -0.32 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2aug h LYS 524 Cb 1.18 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2aug h LYS 524 CO 0.48 0.69 0.00 0.41 -2.27 0.00 0.00 179.45 178.76 2aug n GLY 525 N 0.09 3.15 0.00 5.01 0.00 -1.26 -1.45 105.19 110.74 2aug n GLY 525 Ca -0.06 -0.25 0.14 0.00 0.00 0.00 0.00 46.02 45.86 2aug n GLY 525 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2aug n VAL 526 N 0.00 0.00 -1.52 1.61 0.24 -1.26 -4.88 118.33 112.51 2aug n VAL 526 Ca 0.00 -0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.96 2aug n VAL 526 Cb 0.00 -0.46 0.08 0.00 -1.47 0.00 0.00 33.84 31.99 2aug n VAL 526 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2aug s LEU 527 N -2.82 3.31 0.57 1.34 1.43 -0.53 -4.90 118.68 117.08 2aug s LEU 527 Ca 0.20 2.16 0.35 0.00 -1.03 0.00 0.00 54.13 55.80 2aug s LEU 527 Cb 0.19 -4.57 1.67 0.00 0.03 0.00 0.00 46.19 43.52 2aug s LEU 527 CO 0.51 -2.02 2.11 1.55 0.23 0.00 0.00 176.35 178.73 2aug h PRO 528 N -0.29 0.00 -1.90 1.29 0.13 -1.90 -3.45 132.00 125.88 2aug h PRO 528 Ca -0.47 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 64.88 2aug h PRO 528 Cb 1.27 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.27 2aug h PRO 528 CO 0.51 0.04 0.65 0.00 -0.23 0.00 0.00 178.00 178.97 2aug s LYS 530 N -2.83 3.28 0.03 0.00 1.02 -1.26 -4.88 119.74 115.09 2aug s LYS 530 Ca 0.10 1.45 -0.30 0.00 0.02 0.00 0.00 55.97 57.24 2aug s LYS 530 Cb 0.00 -2.01 -0.06 0.00 -0.52 0.00 0.00 37.83 35.24 2aug s LYS 530 CO -0.04 -0.88 1.40 -0.51 -0.92 0.00 0.00 175.35 174.41 2aug s LEU 531 N -4.13 4.33 0.00 3.17 1.43 -0.33 -4.27 118.68 118.89 2aug s LEU 531 Ca 0.69 2.17 0.00 0.00 -1.03 0.00 0.00 54.13 55.96 2aug s LEU 531 Cb -0.21 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.45 2aug s LEU 531 CO 0.31 -0.70 0.00 1.17 0.23 0.00 0.00 176.35 177.36 2aug n LYS 532 N 5.05 0.00 -4.55 1.70 4.81 0.18 -4.32 118.16 121.04 2aug n LYS 532 Ca 0.13 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.27 2aug n LYS 532 Cb 0.43 -0.44 -0.17 0.00 0.02 0.00 0.00 35.03 34.88 2aug n LYS 532 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 2aug s HIS 533 N -1.99 2.12 0.22 5.64 3.76 -0.85 -4.96 115.29 119.23 2aug s HIS 533 Ca 0.00 -1.00 -0.01 0.00 -0.15 0.00 0.00 55.06 53.91 2aug s HIS 533 Cb 0.00 -1.50 -0.04 0.00 1.11 0.00 0.00 32.58 32.15 2aug s HIS 533 CO 0.00 -0.49 0.42 1.52 -0.85 0.00 0.00 174.74 175.34 2aug s TYR 534 N 0.90 3.48 0.10 1.40 -0.85 -1.26 0.26 117.35 121.38 2aug s TYR 534 Ca -0.08 0.36 -0.30 0.00 -0.52 0.00 0.00 57.07 56.53 2aug s TYR 534 Cb -0.15 -1.87 -0.06 0.00 0.38 0.00 0.00 41.96 40.26 2aug s TYR 534 CO -0.01 0.34 1.00 0.00 -1.52 0.00 0.00 175.55 175.37 2aug s ALA 536 N 0.21 3.46 -2.22 0.00 0.00 -1.26 -4.62 121.76 117.32 2aug s ALA 536 Ca 0.49 1.01 0.30 0.00 0.00 0.00 0.00 51.96 53.76 2aug s ALA 536 Cb -0.24 -3.42 1.52 0.00 0.00 0.00 0.00 23.12 20.98 2aug s ALA 536 CO 0.30 -0.39 2.01 0.54 0.00 0.00 0.00 175.76 178.22