#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3o s HIS 439 N 0.00 3.46 -0.28 0.54 2.46 -1.26 -5.10 115.29 115.11 1p3o s HIS 439 Ca 0.00 0.96 -0.15 0.00 0.47 0.00 0.00 55.06 56.35 1p3o s HIS 439 Cb 0.00 -2.37 0.09 0.00 -0.13 0.00 0.00 32.58 30.17 1p3o s HIS 439 CO 0.00 0.01 0.67 0.50 -2.47 0.00 0.00 174.74 173.45 1p3o s ARG 440 N -3.60 0.68 0.15 2.88 3.52 -1.26 -5.16 118.95 116.16 1p3o s ARG 440 Ca 0.50 1.25 -0.25 0.00 -0.13 0.00 0.00 55.73 57.10 1p3o s ARG 440 Cb -0.10 0.26 -0.08 0.00 -1.56 0.00 0.00 34.95 33.47 1p3o s ARG 440 CO 0.28 -0.16 0.75 0.71 -0.81 0.00 0.00 175.30 176.08 1p3o s TYR 441 N 1.85 3.89 0.61 5.12 4.12 -1.26 -5.05 117.35 126.62 1p3o s TYR 441 Ca -0.09 1.59 -0.16 0.00 0.02 0.00 0.00 57.07 58.42 1p3o s TYR 441 Cb -0.06 -2.74 -0.03 0.00 -1.52 0.00 0.00 41.96 37.61 1p3o s TYR 441 CO -0.20 0.51 1.09 1.03 0.02 0.00 0.00 175.55 178.01 1p3o s ARG 442 N -1.10 3.13 -0.03 -0.62 0.52 -1.26 -4.92 118.95 114.68 1p3o s ARG 442 Ca 0.35 1.38 -0.37 0.00 -0.52 0.00 0.00 55.73 56.57 1p3o s ARG 442 Cb -0.23 -1.99 -0.16 0.00 0.52 0.00 0.00 34.95 33.09 1p3o s ARG 442 CO 0.25 -0.99 1.53 -2.30 0.02 0.00 0.00 175.30 173.82 1p3o n PRO 443 N -1.99 1.35 0.00 3.54 -0.02 -1.26 -1.56 135.00 135.06 1p3o n PRO 443 Ca 0.10 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1p3o n PRO 443 Cb 0.52 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1p3o n PRO 443 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p3o n GLY 444 N 3.28 2.92 0.21 -1.23 0.00 -1.26 -4.91 105.19 104.20 1p3o n GLY 444 Ca 0.21 -0.33 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 1p3o n GLY 444 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1p3o h THR 445 N 0.00 0.81 0.01 2.61 2.02 -1.64 -0.12 112.91 116.60 1p3o h THR 445 Ca 0.00 -0.13 -0.24 0.00 0.77 0.00 0.00 66.41 66.81 1p3o h THR 445 Cb 0.00 0.41 0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1p3o h THR 445 CO 0.00 0.07 -0.99 0.58 0.37 0.00 0.00 175.52 175.54 1p3o h VAL 446 N 0.37 1.37 0.45 3.16 2.07 -1.91 -2.72 116.25 119.03 1p3o h VAL 446 Ca 0.26 -2.42 -0.01 0.00 0.82 0.00 0.00 66.70 65.35 1p3o h VAL 446 Cb 0.29 2.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 1p3o h VAL 446 CO -0.27 0.73 -0.47 0.00 0.02 0.00 0.00 177.57 177.59 1p3o h ALA 447 N 0.63 -1.12 -0.94 1.67 0.00 -1.78 0.22 119.26 117.93 1p3o h ALA 447 Ca -0.10 -0.17 0.24 0.00 0.00 0.00 0.00 54.91 54.88 1p3o h ALA 447 Cb 1.64 0.70 -0.13 0.00 0.00 0.00 0.00 17.79 20.01 1p3o h ALA 447 CO 0.18 -1.15 0.48 -0.07 0.00 0.00 0.00 179.25 178.69 1p3o h LEU 448 N -0.92 0.46 -1.42 0.00 4.07 -1.10 1.06 115.31 117.47 1p3o h LEU 448 Ca -0.06 0.15 -0.01 0.00 0.08 0.00 0.00 57.88 58.04 1p3o h LEU 448 Cb 0.80 0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.62 1p3o h LEU 448 CO -0.07 0.02 0.23 -0.09 -1.08 0.00 0.00 178.44 177.44 1p3o h ARG 449 N 0.45 0.62 -0.18 1.13 2.43 -0.85 0.56 114.38 118.55 1p3o h ARG 449 Ca 0.61 -0.07 -0.21 0.00 -0.81 0.00 0.00 59.98 59.50 1p3o h ARG 449 Cb 1.19 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 30.62 1p3o h ARG 449 CO -0.52 0.48 -0.72 0.93 -1.51 0.00 0.00 179.97 178.62 1p3o h GLU 450 N 0.63 0.80 -0.39 0.20 5.08 0.42 -1.45 114.58 119.87 1p3o h GLU 450 Ca 0.16 -0.63 0.02 0.00 -1.00 0.00 0.00 59.36 57.92 1p3o h GLU 450 Cb 0.05 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1p3o h GLU 450 CO -0.02 1.24 0.21 0.82 -1.00 0.00 0.00 179.01 180.25 1p3o h ILE 451 N 0.54 1.00 -0.75 3.13 2.04 -0.07 0.17 117.51 123.57 1p3o h ILE 451 Ca -0.04 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 1p3o h ILE 451 Cb 1.35 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 1p3o h ILE 451 CO 0.15 0.08 0.31 0.03 0.00 0.00 0.00 178.15 178.72 1p3o h ARG 452 N 0.42 1.12 0.55 2.37 3.08 -0.83 -1.46 114.38 119.63 1p3o h ARG 452 Ca 0.16 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1p3o h ARG 452 Cb 0.05 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 29.92 1p3o h ARG 452 CO -0.10 0.91 -0.26 -0.09 -1.07 0.00 0.00 179.97 179.36 1p3o h ARG 453 N 1.09 -0.71 0.00 0.04 2.43 -0.38 -3.08 114.38 113.77 1p3o h ARG 453 Ca 0.25 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1p3o h ARG 453 Cb 0.20 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1p3o h ARG 453 CO -0.02 -0.42 0.00 1.88 -1.51 0.00 0.00 179.97 179.90 1p3o h TYR 454 N -0.88 0.00 -0.00 2.20 0.99 -0.67 -1.71 116.97 116.89 1p3o h TYR 454 Ca -0.07 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.66 1p3o h TYR 454 Cb 0.62 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.35 1p3o h TYR 454 CO -0.01 0.00 -0.06 1.04 -0.00 0.00 0.00 178.16 179.13 1p3o n GLN 455 N -2.94 0.57 -0.04 4.88 6.02 -0.55 -3.36 117.38 121.96 1p3o n GLN 455 Ca 0.01 -0.12 -0.15 0.00 -0.01 0.00 0.00 57.00 56.73 1p3o n GLN 455 Cb 0.32 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 29.95 1p3o n GLN 455 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1p3o n LYS 456 N -1.11 0.69 -2.70 -1.09 5.02 -0.66 -4.99 118.16 113.33 1p3o n LYS 456 Ca 0.15 0.21 -0.22 0.00 -2.02 0.00 0.00 58.31 56.43 1p3o n LYS 456 Cb 0.26 -1.67 0.07 0.00 -0.02 0.00 0.00 35.03 33.66 1p3o n LYS 456 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1p3o s SER 457 N -6.45 4.85 0.00 4.39 1.04 -1.12 -5.05 113.70 111.35 1p3o s SER 457 Ca -0.18 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1p3o s SER 457 Cb 0.07 -0.29 0.00 0.00 0.10 0.00 0.00 66.02 65.91 1p3o s SER 457 CO 0.76 -1.48 0.38 0.35 0.98 0.00 0.00 173.24 174.24 1p3o n THR 458 N -2.52 0.14 -1.04 2.02 -2.24 -1.26 -4.95 114.28 104.43 1p3o n THR 458 Ca 0.12 -0.28 -0.32 0.00 -2.27 0.00 0.00 64.05 61.30 1p3o n THR 458 Cb 0.60 1.31 0.13 0.00 -2.10 0.00 0.00 70.33 70.27 1p3o n THR 458 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1p3o s GLU 459 N -0.14 1.61 0.55 -0.78 4.04 -1.26 -4.95 118.70 117.77 1p3o s GLU 459 Ca 0.00 1.54 -0.19 0.00 0.04 0.00 0.00 54.97 56.36 1p3o s GLU 459 Cb 0.00 -1.79 -0.05 0.00 0.02 0.00 0.00 34.13 32.30 1p3o s GLU 459 CO 0.00 -2.19 1.10 -0.51 -1.84 0.00 0.00 175.26 171.82 1p3o s LEU 460 N -6.02 3.71 0.00 1.83 1.43 -1.26 -4.95 118.68 113.42 1p3o s LEU 460 Ca 0.68 2.08 0.12 0.00 -1.03 0.00 0.00 54.13 55.97 1p3o s LEU 460 Cb -0.23 -4.57 0.01 0.00 0.03 0.00 0.00 46.19 41.42 1p3o s LEU 460 CO 0.54 -1.18 0.72 0.18 0.23 0.00 0.00 176.35 176.84 1p3o n LEU 461 N -1.42 1.42 -4.86 1.79 4.77 -1.26 -4.93 117.00 112.50 1p3o n LEU 461 Ca 0.11 -0.79 -0.34 0.00 -0.03 0.00 0.00 56.01 54.96 1p3o n LEU 461 Cb 0.52 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 1p3o n LEU 461 CO 0.43 0.28 -0.19 -0.63 -1.33 0.00 0.00 177.39 175.94 1p3o s ILE 462 N -1.45 5.19 -0.01 -0.08 1.01 -1.26 -5.06 121.20 119.54 1p3o s ILE 462 Ca 0.10 -0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.25 1p3o s ILE 462 Cb 0.10 -3.38 -0.05 0.00 0.01 0.00 0.00 42.46 39.13 1p3o s ILE 462 CO 0.28 0.37 1.40 -0.13 0.00 0.00 0.00 174.94 176.86 1p3o s ARG 463 N -1.75 4.28 0.15 2.79 0.52 -1.26 -4.95 118.95 118.74 1p3o s ARG 463 Ca 0.24 1.96 -0.30 0.00 -0.52 0.00 0.00 55.73 57.11 1p3o s ARG 463 Cb -0.12 -3.59 -0.04 0.00 0.52 0.00 0.00 34.95 31.71 1p3o s ARG 463 CO 0.15 -0.58 1.55 0.87 0.02 0.00 0.00 175.30 177.31 1p3o h LYS 464 N 7.88 -0.23 0.08 3.54 1.57 -1.97 -2.85 116.57 124.59 1p3o h LYS 464 Ca -0.37 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.43 1p3o h LYS 464 Cb 1.18 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.51 1p3o h LYS 464 CO 0.91 -0.16 -0.37 1.25 -0.57 0.00 0.00 179.45 180.51 1p3o h LEU 465 N -0.24 -1.11 -0.91 2.94 5.85 -1.99 0.21 115.31 120.06 1p3o h LEU 465 Ca 0.13 0.12 0.26 0.00 0.84 0.00 0.00 57.88 59.23 1p3o h LEU 465 Cb 0.54 0.41 -0.14 0.00 0.37 0.00 0.00 40.66 41.84 1p3o h LEU 465 CO -0.72 -0.39 0.32 -0.65 -0.34 0.00 0.00 178.44 176.66 1p3o h PRO 466 N -0.52 0.23 -0.20 5.25 0.11 -1.97 0.70 132.00 135.60 1p3o h PRO 466 Ca -0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1p3o h PRO 466 Cb 0.53 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 1p3o h PRO 466 CO -0.20 0.15 0.11 0.35 -0.21 0.00 0.00 178.00 178.20 1p3o h PHE 467 N 0.24 0.28 -0.84 0.65 3.57 -1.15 -1.45 116.94 118.25 1p3o h PHE 467 Ca 0.60 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 62.15 1p3o h PHE 467 Cb 1.25 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.84 1p3o h PHE 467 CO -0.20 0.25 0.52 0.37 -2.23 0.00 0.00 178.31 177.01 1p3o h GLN 468 N 0.23 0.92 -0.34 1.11 4.15 0.24 0.30 115.11 121.72 1p3o h GLN 468 Ca 0.07 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 1p3o h GLN 468 Cb 0.06 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 1p3o h GLN 468 CO -0.01 0.61 0.21 0.00 -1.93 0.00 0.00 178.83 177.71 1p3o h ARG 469 N 0.95 0.46 -0.38 1.69 3.08 -0.50 -1.43 114.38 118.24 1p3o h ARG 469 Ca 0.36 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1p3o h ARG 469 Cb 0.16 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1p3o h ARG 469 CO -0.17 0.34 0.25 1.25 -1.07 0.00 0.00 179.97 180.58 1p3o h LEU 470 N 0.45 0.44 0.08 3.04 5.85 -0.19 0.12 115.31 125.09 1p3o h LEU 470 Ca 0.12 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.85 1p3o h LEU 470 Cb -0.00 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1p3o h LEU 470 CO -0.02 0.32 -0.19 0.58 -0.34 0.00 0.00 178.44 178.79 1p3o h VAL 471 N 0.52 0.57 -0.37 1.05 2.07 -0.71 -0.44 116.25 118.93 1p3o h VAL 471 Ca 0.14 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.68 1p3o h VAL 471 Cb -0.06 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1p3o h VAL 471 CO -0.03 0.00 0.20 0.03 0.02 0.00 0.00 177.57 177.79 1p3o h ARG 472 N -0.35 0.39 -0.70 1.57 3.08 -0.99 0.10 114.38 117.48 1p3o h ARG 472 Ca 0.03 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.10 1p3o h ARG 472 Cb 0.38 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.29 1p3o h ARG 472 CO -0.12 0.26 0.42 1.49 -1.07 0.00 0.00 179.97 180.95 1p3o h GLU 473 N 0.40 0.78 -0.58 0.04 4.81 -0.52 0.69 114.58 120.21 1p3o h GLU 473 Ca 0.15 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 1p3o h GLU 473 Cb 0.04 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1p3o h GLU 473 CO -0.10 0.52 0.01 0.82 -0.73 0.00 0.00 179.01 179.53 1p3o h ILE 474 N 0.81 1.26 -0.36 2.32 2.04 -0.61 -3.02 117.51 119.96 1p3o h ILE 474 Ca 0.29 -1.11 -0.10 0.00 1.00 0.00 0.00 64.86 64.95 1p3o h ILE 474 Cb 0.09 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1p3o h ILE 474 CO -0.14 0.40 -0.17 0.00 0.00 0.00 0.00 178.15 178.25 1p3o h ALA 475 N 1.07 1.03 -0.21 1.87 0.00 -0.00 -2.65 119.26 120.37 1p3o h ALA 475 Ca 0.17 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1p3o h ALA 475 Cb 0.52 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1p3o h ALA 475 CO 0.03 0.58 0.33 0.37 0.00 0.00 0.00 179.25 180.56 1p3o h GLN 476 N 0.59 0.00 0.00 0.00 5.75 -0.76 0.78 115.11 121.48 1p3o h GLN 476 Ca 0.09 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 1p3o h GLN 476 Cb 0.63 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.18 1p3o h GLN 476 CO 0.04 0.00 0.00 -0.25 -2.65 0.00 0.00 178.83 175.97 1p3o n ASP 477 N -3.45 0.10 -0.07 -0.69 10.43 -1.00 -3.85 116.55 118.02 1p3o n ASP 477 Ca 0.03 0.51 -0.08 0.00 2.57 0.00 0.00 54.79 57.82 1p3o n ASP 477 Cb 0.45 -0.54 -0.09 0.00 1.84 0.00 0.00 41.12 42.78 1p3o n ASP 477 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1p3o n PHE 478 N -1.60 0.00 -3.64 1.24 0.99 0.27 -5.00 117.46 109.72 1p3o n PHE 478 Ca 0.06 0.00 -0.07 0.00 -0.00 0.00 0.00 57.45 57.44 1p3o n PHE 478 Cb 0.31 -0.61 -0.07 0.00 -1.00 0.00 0.00 39.48 38.10 1p3o n PHE 478 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1p3o s LYS 479 N -2.31 0.70 0.59 -1.08 2.20 -0.96 -5.16 119.74 113.71 1p3o s LYS 479 Ca -0.12 1.16 -0.09 0.00 -0.36 0.00 0.00 55.97 56.56 1p3o s LYS 479 Cb 0.04 0.16 -0.03 0.00 -1.51 0.00 0.00 37.83 36.50 1p3o s LYS 479 CO 0.46 -0.14 0.96 0.95 -0.36 0.00 0.00 175.35 177.22 1p3o s THR 480 N 1.47 4.56 -1.17 3.43 -4.23 -1.26 -4.28 115.64 114.15 1p3o s THR 480 Ca -0.09 0.57 -0.09 0.00 -1.18 0.00 0.00 61.69 60.91 1p3o s THR 480 Cb -0.05 -3.79 -0.02 0.00 1.34 0.00 0.00 72.50 69.97 1p3o s THR 480 CO -0.17 -0.95 0.80 -0.67 -0.54 0.00 0.00 174.62 173.09 1p3o n ASP 481 N -2.62 -4.10 -4.98 3.99 2.03 -1.26 -4.99 116.55 104.61 1p3o n ASP 481 Ca 0.04 -0.85 -0.20 0.00 0.52 0.00 0.00 54.79 54.30 1p3o n ASP 481 Cb 0.55 -4.20 -0.01 0.00 -0.72 0.00 0.00 41.12 36.74 1p3o n ASP 481 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1p3o s LEU 482 N -6.24 4.11 0.05 -2.67 1.43 -1.26 -5.12 118.68 108.99 1p3o s LEU 482 Ca 0.29 0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.45 1p3o s LEU 482 Cb -0.07 -2.87 -0.02 0.00 0.03 0.00 0.00 46.19 43.25 1p3o s LEU 482 CO 0.80 -0.28 -0.16 -0.13 0.23 0.00 0.00 176.35 176.82 1p3o s ARG 483 N -4.12 0.98 -0.13 1.70 0.52 -1.26 -5.13 118.95 111.51 1p3o s ARG 483 Ca 0.40 -0.86 0.02 0.00 -0.52 0.00 0.00 55.73 54.77 1p3o s ARG 483 Cb -0.09 -1.03 0.01 0.00 0.52 0.00 0.00 34.95 34.36 1p3o s ARG 483 CO 0.31 0.25 -0.20 -0.06 0.02 0.00 0.00 175.30 175.62 1p3o s PHE 484 N -0.96 2.44 0.80 -0.53 0.40 -1.26 -5.11 117.98 113.76 1p3o s PHE 484 Ca 0.02 -1.20 -0.13 0.00 -0.60 0.00 0.00 56.93 55.01 1p3o s PHE 484 Cb -0.09 -1.69 0.08 0.00 0.51 0.00 0.00 43.02 41.84 1p3o s PHE 484 CO 0.02 -0.56 1.21 -0.65 0.70 0.00 0.00 175.22 175.93 1p3o s GLN 485 N 0.85 1.70 0.13 0.44 -0.21 -1.26 -4.87 119.66 116.43 1p3o s GLN 485 Ca -0.07 1.77 -0.15 0.00 0.02 0.00 0.00 55.36 56.92 1p3o s GLN 485 Cb -0.15 -1.78 -0.02 0.00 1.00 0.00 0.00 33.01 32.06 1p3o s GLN 485 CO -0.01 -2.17 1.58 0.66 -2.12 0.00 0.00 175.29 173.23 1p3o h SER 486 N -0.82 0.68 -0.33 5.90 4.64 -2.00 -2.71 113.55 118.91 1p3o h SER 486 Ca -0.46 -0.29 0.05 0.00 -0.47 0.00 0.00 61.79 60.61 1p3o h SER 486 Cb 1.30 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 1p3o h SER 486 CO 0.47 0.80 0.22 0.77 -0.87 0.00 0.00 176.83 178.22 1p3o h SER 487 N 0.53 0.20 0.18 4.97 4.64 -1.99 -0.89 113.55 121.19 1p3o h SER 487 Ca 0.12 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 1p3o h SER 487 Cb 0.44 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1p3o h SER 487 CO 0.02 0.13 -0.09 0.00 -0.87 0.00 0.00 176.83 176.02 1p3o h ALA 488 N 1.82 -0.24 -0.93 5.18 0.00 -1.84 0.20 119.26 123.45 1p3o h ALA 488 Ca 0.14 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.94 1p3o h ALA 488 Cb 0.28 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1p3o h ALA 488 CO -0.03 -0.46 0.61 0.28 0.00 0.00 0.00 179.25 179.64 1p3o h VAL 489 N -0.58 1.07 0.17 0.00 2.07 -1.20 -0.69 116.25 117.09 1p3o h VAL 489 Ca -0.02 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1p3o h VAL 489 Cb 0.44 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1p3o h VAL 489 CO 0.04 0.19 -0.08 0.24 0.02 0.00 0.00 177.57 177.98 1p3o h MET 490 N 1.06 -0.22 -0.60 1.57 2.86 -1.05 -1.95 114.93 116.59 1p3o h MET 490 Ca 0.40 0.02 0.12 0.00 -2.06 0.00 0.00 59.70 58.18 1p3o h MET 490 Cb 0.20 0.05 -0.10 0.00 0.06 0.00 0.00 31.60 31.81 1p3o h MET 490 CO -0.16 -0.04 0.00 0.00 1.06 0.00 0.00 176.91 177.77 1p3o h ALA 491 N 0.44 0.59 -0.91 6.32 0.00 0.22 0.08 119.26 126.00 1p3o h ALA 491 Ca -0.02 0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.14 1p3o h ALA 491 Cb 0.28 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 1p3o h ALA 491 CO 0.04 -0.39 0.57 -0.07 0.00 0.00 0.00 179.25 179.40 1p3o h LEU 492 N 0.12 0.88 -0.24 0.00 3.38 -0.92 -1.28 115.31 117.25 1p3o h LEU 492 Ca 0.31 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.26 1p3o h LEU 492 Cb 0.50 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1p3o h LEU 492 CO -0.51 0.54 -0.03 -0.61 0.09 0.00 0.00 178.44 177.93 1p3o h GLN 493 N 1.01 0.44 -0.73 1.13 4.15 -0.24 0.37 115.11 121.23 1p3o h GLN 493 Ca 0.41 -0.15 0.10 0.00 0.77 0.00 0.00 58.65 59.77 1p3o h GLN 493 Cb 0.23 -0.03 -0.07 0.00 0.21 0.00 0.00 27.48 27.82 1p3o h GLN 493 CO -0.19 0.64 0.37 0.93 -1.93 0.00 0.00 178.83 178.65 1p3o h GLU 494 N 0.20 0.60 -0.15 1.69 4.39 -0.81 -0.11 114.58 120.38 1p3o h GLU 494 Ca 0.06 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 1p3o h GLU 494 Cb 0.46 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1p3o h GLU 494 CO 0.02 0.40 0.01 0.00 -1.16 0.00 0.00 179.01 178.27 1p3o h ALA 495 N 1.45 0.20 -0.27 3.43 0.00 -0.95 -1.85 119.26 121.27 1p3o h ALA 495 Ca 0.37 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1p3o h ALA 495 Cb 0.40 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1p3o h ALA 495 CO -0.28 -0.12 0.16 0.77 0.00 0.00 0.00 179.25 179.78 1p3o h SER 496 N 0.01 0.32 -0.30 0.00 0.02 -0.35 0.72 113.55 113.98 1p3o h SER 496 Ca 0.04 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1p3o h SER 496 Cb 0.34 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1p3o h SER 496 CO 0.01 0.28 0.08 -0.33 -1.14 0.00 0.00 176.83 175.73 1p3o h GLU 497 N 0.33 0.47 -0.93 3.45 5.08 -1.07 0.12 114.58 122.03 1p3o h GLU 497 Ca 0.10 -0.11 0.13 0.00 -1.00 0.00 0.00 59.36 58.48 1p3o h GLU 497 Cb 0.02 -0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.11 1p3o h GLU 497 CO -0.02 0.53 0.55 0.00 -1.00 0.00 0.00 179.01 179.08 1p3o h ALA 498 N 0.92 1.42 0.08 3.43 0.00 -1.12 0.23 119.26 124.21 1p3o h ALA 498 Ca 0.09 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1p3o h ALA 498 Cb 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1p3o h ALA 498 CO -0.00 0.08 -0.04 -0.92 0.00 0.00 0.00 179.25 178.37 1p3o h TYR 499 N 0.83 -0.10 -0.70 0.00 3.20 -0.23 -2.80 116.97 117.17 1p3o h TYR 499 Ca 0.49 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.33 1p3o h TYR 499 Cb 0.58 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 1p3o h TYR 499 CO -0.03 0.32 0.34 -0.07 -1.64 0.00 0.00 178.16 177.07 1p3o h LEU 500 N -0.55 0.91 -0.42 2.82 3.38 -0.15 -0.28 115.31 121.03 1p3o h LEU 500 Ca -0.01 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.87 1p3o h LEU 500 Cb 0.46 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1p3o h LEU 500 CO 0.02 0.79 0.19 0.58 0.09 0.00 0.00 178.44 180.10 1p3o h VAL 501 N 0.97 0.94 -0.67 1.22 2.07 -0.62 0.26 116.25 120.41 1p3o h VAL 501 Ca 0.24 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.59 1p3o h VAL 501 Cb 0.12 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1p3o h VAL 501 CO -0.03 0.07 0.26 0.00 0.02 0.00 0.00 177.57 177.89 1p3o h ALA 502 N 1.24 0.88 -0.57 1.67 0.00 -1.22 -1.33 119.26 119.92 1p3o h ALA 502 Ca 0.18 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1p3o h ALA 502 Cb 0.12 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1p3o h ALA 502 CO -0.15 0.51 0.17 1.25 0.00 0.00 0.00 179.25 181.03 1p3o h LEU 503 N 0.96 0.79 -1.13 0.00 5.85 0.07 -1.66 115.31 120.19 1p3o h LEU 503 Ca 0.22 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1p3o h LEU 503 Cb 0.23 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1p3o h LEU 503 CO -0.02 0.75 -0.06 -0.26 -0.34 0.00 0.00 178.44 178.51 1p3o h PHE 504 N 0.83 0.56 0.50 1.25 0.05 0.23 0.87 116.94 121.23 1p3o h PHE 504 Ca 0.19 -0.07 -0.02 0.00 3.82 0.00 0.00 57.97 61.88 1p3o h PHE 504 Cb 0.25 -0.16 0.00 0.00 2.00 0.00 0.00 35.95 38.05 1p3o h PHE 504 CO 0.02 0.59 -0.24 0.93 -0.18 0.00 0.00 178.31 179.43 1p3o h GLU 505 N 0.50 -0.65 -0.61 1.51 5.08 -0.36 0.28 114.58 120.33 1p3o h GLU 505 Ca 0.10 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1p3o h GLU 505 Cb 0.42 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1p3o h GLU 505 CO 0.02 -0.41 0.41 -0.44 -1.00 0.00 0.00 179.01 177.59 1p3o h ASP 506 N -0.72 0.69 -0.66 1.42 3.32 -1.19 -1.27 116.42 118.01 1p3o h ASP 506 Ca -0.07 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 1p3o h ASP 506 Cb 0.54 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1p3o h ASP 506 CO 0.11 0.50 0.38 0.74 -1.72 0.00 0.00 179.24 179.25 1p3o h THR 507 N 0.82 1.20 -0.51 0.35 2.02 -0.37 -1.01 112.91 115.41 1p3o h THR 507 Ca 0.23 -0.48 -0.06 0.00 0.77 0.00 0.00 66.41 66.86 1p3o h THR 507 Cb -0.07 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.63 1p3o h THR 507 CO -0.05 0.21 0.06 -1.13 0.37 0.00 0.00 175.52 174.98 1p3o h ASN 508 N 0.90 0.78 -0.65 4.18 -1.24 0.57 -0.04 115.58 120.09 1p3o h ASN 508 Ca 0.24 -0.17 -0.04 0.00 0.71 0.00 0.00 56.30 57.04 1p3o h ASN 508 Cb 0.01 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 38.83 1p3o h ASN 508 CO -0.04 0.81 0.26 -0.07 -1.29 0.00 0.00 177.43 177.10 1p3o h LEU 509 N 0.78 0.89 -0.84 0.34 3.38 -0.72 -0.53 115.31 118.61 1p3o h LEU 509 Ca 0.16 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1p3o h LEU 509 Cb 0.39 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1p3o h LEU 509 CO 0.01 0.82 -0.07 0.00 0.09 0.00 0.00 178.44 179.29 1p3o h ALA 511 N 1.20 0.50 -0.79 0.00 0.00 -0.63 -2.53 119.26 117.00 1p3o h ALA 511 Ca 0.13 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1p3o h ALA 511 Cb 0.54 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1p3o h ALA 511 CO 0.03 0.09 0.33 0.82 0.00 0.00 0.00 179.25 180.52 1p3o h ILE 512 N 0.48 1.26 -0.99 0.00 2.04 -0.54 -1.75 117.51 118.00 1p3o h ILE 512 Ca 0.13 -0.79 0.24 0.00 1.00 0.00 0.00 64.86 65.44 1p3o h ILE 512 Cb 0.16 0.30 -0.08 0.00 -0.74 0.00 0.00 36.82 36.46 1p3o h ILE 512 CO -0.01 0.33 0.65 -0.74 0.00 0.00 0.00 178.15 178.37 1p3o h HIS 513 N 1.14 0.62 -0.28 1.37 2.76 -0.30 1.15 115.15 121.61 1p3o h HIS 513 Ca 0.27 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 1p3o h HIS 513 Cb 0.19 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 28.97 1p3o h HIS 513 CO 0.02 0.10 0.00 0.00 -1.30 0.00 0.00 177.93 176.75 1p3o n ALA 514 N -2.49 2.82 -3.05 5.26 0.00 -0.73 -4.89 120.51 117.42 1p3o n ALA 514 Ca 0.23 -0.72 -0.22 0.00 0.00 0.00 0.00 53.44 52.73 1p3o n ALA 514 Cb 0.80 -1.02 0.04 0.00 0.00 0.00 0.00 19.45 19.27 1p3o n ALA 514 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1p3o n LYS 515 N 0.35 -5.10 -4.67 0.00 5.02 0.40 -4.99 118.16 109.17 1p3o n LYS 515 Ca 0.12 0.89 -0.30 0.00 -2.02 0.00 0.00 58.31 57.00 1p3o n LYS 515 Cb 0.49 -5.74 -0.09 0.00 -0.02 0.00 0.00 35.03 29.67 1p3o n LYS 515 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1p3o s ARG 516 N -5.73 2.05 -0.01 1.97 0.52 -0.80 -5.01 118.95 111.94 1p3o s ARG 516 Ca 0.32 -2.24 0.01 0.00 -0.52 0.00 0.00 55.73 53.30 1p3o s ARG 516 Cb -0.14 -1.48 0.01 0.00 0.52 0.00 0.00 34.95 33.86 1p3o s ARG 516 CO 0.40 -0.23 0.74 1.33 0.02 0.00 0.00 175.30 177.56 1p3o n VAL 517 N -1.09 0.42 -4.05 3.52 0.24 -1.26 -3.74 118.33 112.38 1p3o n VAL 517 Ca -0.12 -0.44 -0.33 0.00 -2.04 0.00 0.00 64.34 61.41 1p3o n VAL 517 Cb 0.67 0.73 -0.15 0.00 -1.47 0.00 0.00 33.84 33.62 1p3o n VAL 517 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1p3o s THR 518 N -0.47 2.35 0.21 3.34 2.01 -1.26 -5.06 115.64 116.76 1p3o s THR 518 Ca 0.02 -1.31 -0.30 0.00 0.31 0.00 0.00 61.69 60.40 1p3o s THR 518 Cb 0.01 -2.24 -0.09 0.00 0.01 0.00 0.00 72.50 70.19 1p3o s THR 518 CO 0.00 0.16 1.31 0.27 -0.69 0.00 0.00 174.62 175.67 1p3o s ILE 519 N 1.21 3.15 0.38 1.82 -4.36 -1.26 -4.89 121.20 117.24 1p3o s ILE 519 Ca -0.03 0.96 0.04 0.00 -0.26 0.00 0.00 60.65 61.36 1p3o s ILE 519 Cb -0.17 -3.61 -0.05 0.00 1.25 0.00 0.00 42.46 39.87 1p3o s ILE 519 CO -0.07 0.15 0.07 -0.04 0.24 0.00 0.00 174.94 175.29 1p3o s MET 520 N -0.26 1.82 0.31 0.37 -1.94 -1.26 -5.03 119.30 113.31 1p3o s MET 520 Ca 0.56 -2.06 0.01 0.00 -1.71 0.00 0.00 55.69 52.49 1p3o s MET 520 Cb -0.37 -0.95 0.50 0.00 2.01 0.00 0.00 34.83 36.02 1p3o s MET 520 CO 0.39 -0.27 1.88 -1.35 -0.01 0.00 0.00 175.02 175.66 1p3o h PRO 521 N 1.91 0.75 -0.84 2.03 0.11 -2.00 -0.12 132.00 133.84 1p3o h PRO 521 Ca -0.40 -0.13 0.14 0.00 0.11 0.00 0.00 66.00 65.72 1p3o h PRO 521 Cb 1.26 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 1p3o h PRO 521 CO 0.68 0.66 0.55 1.57 -0.21 0.00 0.00 178.00 181.24 1p3o h LYS 522 N 0.74 0.60 -0.19 1.05 2.10 -1.98 0.21 116.57 119.10 1p3o h LYS 522 Ca 0.17 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.76 1p3o h LYS 522 Cb 0.22 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.41 1p3o h LYS 522 CO -0.01 0.40 0.03 -0.44 -2.00 0.00 0.00 179.45 177.43 1p3o h ASP 523 N 0.62 0.30 -0.71 7.07 3.32 -1.37 1.00 116.42 126.65 1p3o h ASP 523 Ca 0.41 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1p3o h ASP 523 Cb 0.72 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 1p3o h ASP 523 CO -0.17 0.49 0.38 0.40 -1.72 0.00 0.00 179.24 178.61 1p3o h ILE 524 N 0.11 1.22 0.04 0.35 2.04 -1.02 -1.80 117.51 118.45 1p3o h ILE 524 Ca 0.06 -0.59 0.01 0.00 1.00 0.00 0.00 64.86 65.35 1p3o h ILE 524 Cb 0.31 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1p3o h ILE 524 CO 0.00 0.25 -0.11 1.56 0.00 0.00 0.00 178.15 179.85 1p3o h GLN 525 N 0.99 -0.20 0.31 2.37 4.20 -0.37 -0.07 115.11 122.34 1p3o h GLN 525 Ca 0.25 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 1p3o h GLN 525 Cb 0.06 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1p3o h GLN 525 CO -0.04 -0.14 -0.28 1.25 -0.67 0.00 0.00 178.83 178.96 1p3o h LEU 526 N -0.21 -0.73 -0.41 1.46 5.85 -0.63 -1.03 115.31 119.60 1p3o h LEU 526 Ca 0.03 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.89 1p3o h LEU 526 Cb 0.24 0.24 -0.09 0.00 0.37 0.00 0.00 40.66 41.42 1p3o h LEU 526 CO -0.08 -0.41 -0.28 0.00 -0.34 0.00 0.00 178.44 177.33 1p3o h ALA 527 N -0.02 -0.07 -0.02 1.25 0.00 -1.14 0.48 119.26 119.74 1p3o h ALA 527 Ca -0.02 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1p3o h ALA 527 Cb 0.54 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1p3o h ALA 527 CO -0.04 -0.66 -0.06 0.00 0.00 0.00 0.00 179.25 178.50 1p3o h ARG 528 N -0.21 0.03 -0.13 0.00 3.08 -0.75 0.16 114.38 116.56 1p3o h ARG 528 Ca 0.19 -0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.12 1p3o h ARG 528 Cb 0.51 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1p3o h ARG 528 CO -0.52 0.08 -0.37 -0.09 -1.07 0.00 0.00 179.97 178.00 1p3o h ARG 529 N 0.03 0.47 -0.04 0.04 2.43 0.39 -0.76 114.38 116.93 1p3o h ARG 529 Ca 0.01 -0.34 -0.04 0.00 -0.81 0.00 0.00 59.98 58.79 1p3o h ARG 529 Cb 0.12 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1p3o h ARG 529 CO 0.01 0.96 -0.19 0.82 -1.51 0.00 0.00 179.97 180.06 1p3o h ILE 530 N 0.07 1.16 0.00 1.20 2.04 -0.54 -1.03 117.51 120.40 1p3o h ILE 530 Ca -0.01 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.12 1p3o h ILE 530 Cb 0.99 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.41 1p3o h ILE 530 CO 0.08 0.21 0.00 0.54 0.00 0.00 0.00 178.15 178.98 1p3o n ARG 531 N -4.29 0.21 -0.42 2.37 1.74 -0.01 -4.86 116.66 111.40 1p3o n ARG 531 Ca -0.02 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.47 1p3o n ARG 531 Cb 0.27 -1.88 0.00 0.00 -1.02 0.00 0.00 32.46 29.83 1p3o n ARG 531 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1p3o n GLY 532 N 0.09 0.74 0.14 -0.13 0.00 -0.39 -4.92 105.19 100.71 1p3o n GLY 532 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.17 1p3o n GLY 532 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1p3o h GLU 533 N 3.68 0.00 0.00 1.61 5.08 -1.34 -3.11 114.58 120.50 1p3o h GLU 533 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1p3o h GLU 533 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1p3o h GLU 533 CO 0.00 0.00 -0.24 0.54 -1.00 0.00 0.00 179.01 178.31 1p3o n ARG 534 N -2.42 5.38 0.00 2.33 1.74 -1.07 -4.97 116.66 117.66 1p3o n ARG 534 Ca 0.04 -0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.23 1p3o n ARG 534 Cb 0.39 -0.63 0.09 0.00 -1.02 0.00 0.00 32.46 31.29 1p3o n ARG 534 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11