#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3g s HIS 439 N 0.00 3.52 -0.28 0.54 2.46 -1.26 -5.10 115.29 115.17 1p3g s HIS 439 Ca 0.00 0.92 -0.19 0.00 0.47 0.00 0.00 55.06 56.26 1p3g s HIS 439 Cb 0.00 -2.37 0.10 0.00 -0.13 0.00 0.00 32.58 30.18 1p3g s HIS 439 CO 0.00 -0.20 0.82 0.50 -2.47 0.00 0.00 174.74 173.39 1p3g s ARG 440 N -4.33 0.62 0.14 2.88 3.52 -1.26 -5.15 118.95 115.37 1p3g s ARG 440 Ca 0.49 0.94 -0.21 0.00 -0.13 0.00 0.00 55.73 56.83 1p3g s ARG 440 Cb -0.10 0.20 -0.07 0.00 -1.56 0.00 0.00 34.95 33.41 1p3g s ARG 440 CO 0.39 -0.11 0.66 0.71 -0.81 0.00 0.00 175.30 176.14 1p3g s TYR 441 N 1.07 3.78 0.80 5.12 1.51 -1.26 -5.06 117.35 123.32 1p3g s TYR 441 Ca -0.05 1.38 -0.11 0.00 -1.01 0.00 0.00 57.07 57.28 1p3g s TYR 441 Cb -0.05 -2.59 0.07 0.00 -0.11 0.00 0.00 41.96 39.29 1p3g s TYR 441 CO -0.12 0.50 1.10 1.03 -1.11 0.00 0.00 175.55 176.95 1p3g s ARG 442 N -1.39 2.00 -0.07 -0.62 0.52 -1.26 -4.92 118.95 113.22 1p3g s ARG 442 Ca 0.35 1.16 -0.33 0.00 -0.52 0.00 0.00 55.73 56.39 1p3g s ARG 442 Cb -0.19 -1.87 -0.11 0.00 0.52 0.00 0.00 34.95 33.30 1p3g s ARG 442 CO 0.21 -1.82 1.92 -2.30 0.02 0.00 0.00 175.30 173.33 1p3g n PRO 443 N -3.64 2.32 0.00 3.54 -0.02 -1.26 -2.12 135.00 133.81 1p3g n PRO 443 Ca 0.09 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1p3g n PRO 443 Cb 0.53 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 1p3g n PRO 443 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p3g n GLY 444 N 4.50 3.10 0.24 -1.23 0.00 -1.26 -4.92 105.19 105.62 1p3g n GLY 444 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1p3g n GLY 444 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1p3g h THR 445 N 0.00 1.21 0.04 2.61 2.02 -1.79 -1.31 112.91 115.70 1p3g h THR 445 Ca 0.00 -0.95 -0.26 0.00 0.77 0.00 0.00 66.41 65.96 1p3g h THR 445 Cb 0.00 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 1p3g h THR 445 CO 0.00 0.30 -1.34 0.58 0.37 0.00 0.00 175.52 175.43 1p3g h VAL 446 N 0.34 1.33 -0.19 3.16 2.07 -1.92 -3.04 116.25 118.00 1p3g h VAL 446 Ca 0.06 -3.05 0.00 0.00 0.82 0.00 0.00 66.70 64.54 1p3g h VAL 446 Cb 0.46 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 1p3g h VAL 446 CO 0.03 0.80 0.12 0.00 0.02 0.00 0.00 177.57 178.55 1p3g h ALA 447 N 0.83 0.24 -0.96 1.67 0.00 -1.83 0.01 119.26 119.22 1p3g h ALA 447 Ca -0.15 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.80 1p3g h ALA 447 Cb 1.91 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.56 1p3g h ALA 447 CO 0.13 -0.27 0.62 -0.07 0.00 0.00 0.00 179.25 179.66 1p3g h LEU 448 N 0.25 1.00 -0.87 0.00 4.07 -1.34 -0.55 115.31 117.88 1p3g h LEU 448 Ca 0.07 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.96 1p3g h LEU 448 Cb -0.02 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.48 1p3g h LEU 448 CO -0.01 0.65 0.07 -0.09 -1.08 0.00 0.00 178.44 177.98 1p3g h ARG 449 N 1.14 0.92 -0.40 1.13 2.43 -1.20 -1.58 114.38 116.81 1p3g h ARG 449 Ca 0.40 -0.23 -0.11 0.00 -0.81 0.00 0.00 59.98 59.23 1p3g h ARG 449 Cb 0.13 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1p3g h ARG 449 CO -0.15 0.86 -0.18 0.93 -1.51 0.00 0.00 179.97 179.93 1p3g h GLU 450 N 0.86 0.82 -0.10 0.20 5.08 -0.02 -1.52 114.58 119.90 1p3g h GLU 450 Ca 0.17 -0.35 0.04 0.00 -1.00 0.00 0.00 59.36 58.22 1p3g h GLU 450 Cb 0.41 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1p3g h GLU 450 CO 0.01 0.98 -0.14 0.82 -1.00 0.00 0.00 179.01 179.68 1p3g h ILE 451 N 0.64 0.62 -0.52 3.13 2.04 -0.69 -0.32 117.51 122.40 1p3g h ILE 451 Ca 0.09 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.99 1p3g h ILE 451 Cb 0.73 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1p3g h ILE 451 CO 0.06 0.00 0.27 0.03 0.00 0.00 0.00 178.15 178.50 1p3g h ARG 452 N -0.19 0.51 0.75 2.37 3.08 -1.16 -2.03 114.38 117.69 1p3g h ARG 452 Ca 0.08 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1p3g h ARG 452 Cb 0.31 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.25 1p3g h ARG 452 CO -0.21 0.34 -0.36 -0.09 -1.07 0.00 0.00 179.97 178.57 1p3g h ARG 453 N 0.52 -0.96 0.00 0.04 2.43 -0.55 -3.13 114.38 112.72 1p3g h ARG 453 Ca 0.23 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1p3g h ARG 453 Cb 0.12 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1p3g h ARG 453 CO -0.15 -0.64 0.01 1.88 -1.51 0.00 0.00 179.97 179.55 1p3g h TYR 454 N -1.02 0.00 -0.00 2.20 0.99 -1.05 0.35 116.97 118.44 1p3g h TYR 454 Ca -0.10 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.63 1p3g h TYR 454 Cb 0.77 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.50 1p3g h TYR 454 CO 0.06 0.00 -0.23 1.04 -0.00 0.00 0.00 178.16 179.03 1p3g n GLN 455 N -2.97 0.00 -0.01 4.88 6.02 -0.77 -3.45 117.38 121.09 1p3g n GLN 455 Ca -0.03 -0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.85 1p3g n GLN 455 Cb 0.07 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 29.69 1p3g n GLN 455 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1p3g h LYS 456 N 0.00 0.06 -6.70 -1.09 1.57 -0.88 -3.48 116.57 106.06 1p3g h LYS 456 Ca 0.00 -0.11 -0.44 0.00 -1.87 0.00 0.00 60.65 58.24 1p3g h LYS 456 Cb 0.50 0.04 0.04 0.00 0.08 0.00 0.00 32.23 32.88 1p3g h LYS 456 CO 0.00 0.69 -0.11 -1.54 -0.57 0.00 0.00 179.45 177.92 1p3g s SER 457 N -6.35 5.48 0.00 0.86 1.04 -1.14 -5.05 113.70 108.54 1p3g s SER 457 Ca -0.07 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1p3g s SER 457 Cb 0.08 -0.94 0.00 0.00 0.10 0.00 0.00 66.02 65.26 1p3g s SER 457 CO 0.82 -0.95 0.24 0.35 0.98 0.00 0.00 173.24 174.67 1p3g n THR 458 N -2.15 0.00 -1.74 2.02 -2.24 -1.26 -4.95 114.28 103.95 1p3g n THR 458 Ca 0.07 -0.32 -0.38 0.00 -2.27 0.00 0.00 64.05 61.15 1p3g n THR 458 Cb 0.59 1.27 0.05 0.00 -2.10 0.00 0.00 70.33 70.14 1p3g n THR 458 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1p3g n GLU 459 N -0.16 1.53 -1.93 -0.78 -0.00 -1.26 -4.92 120.64 113.11 1p3g n GLU 459 Ca 0.00 0.57 -0.39 0.00 -0.00 0.00 0.00 57.16 57.34 1p3g n GLU 459 Cb 0.07 -2.56 0.02 0.00 -0.00 0.00 0.00 31.44 28.97 1p3g n GLU 459 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1p3g s LEU 460 N -3.65 4.00 0.00 -1.84 1.43 -1.26 -4.91 118.68 112.44 1p3g s LEU 460 Ca 0.75 2.68 0.22 0.00 -1.03 0.00 0.00 54.13 56.75 1p3g s LEU 460 Cb -0.41 -4.14 0.01 0.00 0.03 0.00 0.00 46.19 41.69 1p3g s LEU 460 CO 0.47 -1.23 1.07 0.18 0.23 0.00 0.00 176.35 177.07 1p3g n LEU 461 N -0.55 2.09 -4.68 1.79 4.77 -1.26 -4.90 117.00 114.26 1p3g n LEU 461 Ca 0.08 -0.79 -0.35 0.00 -0.03 0.00 0.00 56.01 54.92 1p3g n LEU 461 Cb 0.45 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.44 1p3g n LEU 461 CO 0.53 0.38 -0.30 -0.63 -1.33 0.00 0.00 177.39 176.05 1p3g s ILE 462 N -2.34 4.42 0.09 -0.08 1.01 -1.26 -5.06 121.20 117.97 1p3g s ILE 462 Ca 0.19 -0.20 -0.31 0.00 0.00 0.00 0.00 60.65 60.33 1p3g s ILE 462 Cb 0.18 -2.88 -0.08 0.00 0.01 0.00 0.00 42.46 39.68 1p3g s ILE 462 CO 0.52 0.58 1.57 -0.13 0.00 0.00 0.00 174.94 177.49 1p3g s ARG 463 N -0.68 4.23 0.12 2.79 0.52 -1.26 -4.94 118.95 119.73 1p3g s ARG 463 Ca 0.11 2.26 -0.30 0.00 -0.52 0.00 0.00 55.73 57.28 1p3g s ARG 463 Cb -0.12 -3.46 -0.09 0.00 0.52 0.00 0.00 34.95 31.80 1p3g s ARG 463 CO 0.02 -0.65 1.59 0.87 0.02 0.00 0.00 175.30 177.14 1p3g h LYS 464 N 7.77 -0.58 -0.45 3.54 1.57 -1.97 -2.74 116.57 123.70 1p3g h LYS 464 Ca -0.42 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.49 1p3g h LYS 464 Cb 1.20 0.13 -0.10 0.00 0.08 0.00 0.00 32.23 33.55 1p3g h LYS 464 CO 0.92 -0.39 -0.23 1.25 -0.57 0.00 0.00 179.45 180.43 1p3g h LEU 465 N -0.61 -0.78 -1.09 2.94 5.85 -1.99 0.17 115.31 119.79 1p3g h LEU 465 Ca 0.04 0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.96 1p3g h LEU 465 Cb 0.66 0.42 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 1p3g h LEU 465 CO -0.29 -0.25 0.61 -0.65 -0.34 0.00 0.00 178.44 177.52 1p3g h PRO 466 N -0.14 1.17 -0.56 5.25 0.11 -1.96 -0.93 132.00 134.94 1p3g h PRO 466 Ca 0.21 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.22 1p3g h PRO 466 Cb 0.47 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 1p3g h PRO 466 CO -0.54 0.77 0.21 0.35 -0.21 0.00 0.00 178.00 178.58 1p3g h PHE 467 N 1.20 0.86 -0.65 0.65 3.57 -0.75 -2.60 116.94 119.24 1p3g h PHE 467 Ca 0.36 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 1p3g h PHE 467 Cb -0.05 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.40 1p3g h PHE 467 CO -0.00 0.71 0.33 0.37 -2.23 0.00 0.00 178.31 177.49 1p3g h GLN 468 N 0.77 0.92 -0.36 1.11 4.15 -0.06 -1.44 115.11 120.19 1p3g h GLN 468 Ca 0.18 -0.12 0.05 0.00 0.77 0.00 0.00 58.65 59.53 1p3g h GLN 468 Cb 0.22 -0.17 -0.04 0.00 0.21 0.00 0.00 27.48 27.70 1p3g h GLN 468 CO -0.01 0.71 0.10 0.00 -1.93 0.00 0.00 178.83 177.70 1p3g h ARG 469 N 0.89 0.23 -0.32 1.69 3.08 -0.91 -0.88 114.38 118.16 1p3g h ARG 469 Ca 0.22 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1p3g h ARG 469 Cb 0.08 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1p3g h ARG 469 CO -0.03 0.15 0.21 1.25 -1.07 0.00 0.00 179.97 180.48 1p3g h LEU 470 N 0.24 0.36 0.31 3.04 5.85 -1.14 0.24 115.31 124.21 1p3g h LEU 470 Ca 0.17 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1p3g h LEU 470 Cb 0.17 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1p3g h LEU 470 CO -0.19 0.26 -0.43 0.58 -0.34 0.00 0.00 178.44 178.32 1p3g h VAL 471 N 0.43 0.15 -0.58 1.05 2.07 -0.93 0.11 116.25 118.55 1p3g h VAL 471 Ca 0.12 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.70 1p3g h VAL 471 Cb -0.05 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 29.81 1p3g h VAL 471 CO -0.03 0.00 0.28 0.03 0.02 0.00 0.00 177.57 177.88 1p3g h ARG 472 N -0.79 0.51 -0.44 1.57 3.08 -0.97 -0.40 114.38 116.94 1p3g h ARG 472 Ca -0.02 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1p3g h ARG 472 Cb 0.74 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 1p3g h ARG 472 CO -0.13 0.34 0.29 1.49 -1.07 0.00 0.00 179.97 180.89 1p3g h GLU 473 N 0.53 0.59 -0.71 0.04 4.81 -0.16 -0.67 114.58 119.01 1p3g h GLU 473 Ca 0.27 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.40 1p3g h GLU 473 Cb 0.21 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1p3g h GLU 473 CO -0.20 0.39 0.20 0.82 -0.73 0.00 0.00 179.01 179.48 1p3g h ILE 474 N 0.60 1.26 -0.52 2.32 2.04 -0.29 -3.08 117.51 119.83 1p3g h ILE 474 Ca 0.16 -0.93 -0.07 0.00 1.00 0.00 0.00 64.86 65.02 1p3g h ILE 474 Cb -0.07 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1p3g h ILE 474 CO -0.04 0.36 0.06 0.00 0.00 0.00 0.00 178.15 178.54 1p3g h ALA 475 N 1.14 0.70 -0.13 1.87 0.00 -0.53 -2.72 119.26 119.59 1p3g h ALA 475 Ca 0.23 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1p3g h ALA 475 Cb 0.34 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1p3g h ALA 475 CO -0.00 0.46 0.48 0.37 0.00 0.00 0.00 179.25 180.55 1p3g h GLN 476 N 0.76 0.00 0.00 0.00 5.75 -1.04 1.23 115.11 121.81 1p3g h GLN 476 Ca 0.16 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.66 1p3g h GLN 476 Cb 0.44 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.99 1p3g h GLN 476 CO 0.02 0.00 0.00 -0.25 -2.65 0.00 0.00 178.83 175.95 1p3g n ASP 477 N -3.04 0.65 -0.06 -0.69 10.43 -1.02 -3.70 116.55 119.13 1p3g n ASP 477 Ca 0.01 0.59 -0.04 0.00 2.57 0.00 0.00 54.79 57.92 1p3g n ASP 477 Cb 0.56 -0.75 -0.11 0.00 1.84 0.00 0.00 41.12 42.65 1p3g n ASP 477 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1p3g n PHE 478 N -2.14 0.00 -3.60 1.24 0.99 0.42 -4.98 117.46 109.39 1p3g n PHE 478 Ca 0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.47 1p3g n PHE 478 Cb 0.35 -0.63 -0.06 0.00 -1.00 0.00 0.00 39.48 38.14 1p3g n PHE 478 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1p3g s LYS 479 N -2.45 0.49 0.60 -1.08 2.20 -0.98 -5.16 119.74 113.36 1p3g s LYS 479 Ca -0.07 0.96 -0.15 0.00 -0.36 0.00 0.00 55.97 56.36 1p3g s LYS 479 Cb 0.05 0.28 -0.03 0.00 -1.51 0.00 0.00 37.83 36.61 1p3g s LYS 479 CO 0.58 -0.12 1.05 0.95 -0.36 0.00 0.00 175.35 177.44 1p3g s THR 480 N 1.85 4.00 -0.65 3.43 -4.23 -1.26 -4.19 115.64 114.60 1p3g s THR 480 Ca -0.08 0.87 -0.12 0.00 -1.18 0.00 0.00 61.69 61.18 1p3g s THR 480 Cb -0.06 -3.46 0.02 0.00 1.34 0.00 0.00 72.50 70.35 1p3g s THR 480 CO -0.17 -0.63 0.64 -0.67 -0.54 0.00 0.00 174.62 173.25 1p3g n ASP 481 N -2.21 -6.19 -4.55 3.99 2.03 -1.26 -5.01 116.55 103.35 1p3g n ASP 481 Ca 0.08 -0.32 -0.26 0.00 0.52 0.00 0.00 54.79 54.81 1p3g n ASP 481 Cb 0.53 -3.10 -0.10 0.00 -0.72 0.00 0.00 41.12 37.74 1p3g n ASP 481 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1p3g s LEU 482 N -3.74 2.88 0.22 -2.67 1.43 -1.26 -5.14 118.68 110.40 1p3g s LEU 482 Ca 0.14 -0.66 0.12 0.00 -1.03 0.00 0.00 54.13 52.69 1p3g s LEU 482 Cb -0.02 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.60 1p3g s LEU 482 CO 0.84 0.09 -0.23 -0.13 0.23 0.00 0.00 176.35 177.15 1p3g s ARG 483 N -2.93 1.56 -0.06 1.70 0.52 -1.26 -5.12 118.95 113.36 1p3g s ARG 483 Ca 0.25 -1.60 0.02 0.00 -0.52 0.00 0.00 55.73 53.89 1p3g s ARG 483 Cb -0.08 -1.82 0.01 0.00 0.52 0.00 0.00 34.95 33.58 1p3g s ARG 483 CO 0.15 0.38 -0.12 -0.06 0.02 0.00 0.00 175.30 175.66 1p3g s PHE 484 N -1.93 1.40 0.52 -0.53 0.40 -1.26 -5.12 117.98 111.46 1p3g s PHE 484 Ca 0.23 -0.49 -0.21 0.00 -0.60 0.00 0.00 56.93 55.87 1p3g s PHE 484 Cb -0.07 -1.02 -0.06 0.00 0.51 0.00 0.00 43.02 42.38 1p3g s PHE 484 CO 0.11 -0.25 1.21 -0.65 0.70 0.00 0.00 175.22 176.34 1p3g s GLN 485 N 0.58 3.40 0.17 0.44 -0.21 -1.26 -4.87 119.66 117.90 1p3g s GLN 485 Ca -0.13 1.85 -0.15 0.00 0.02 0.00 0.00 55.36 56.95 1p3g s GLN 485 Cb -0.15 -2.20 0.14 0.00 1.00 0.00 0.00 33.01 31.80 1p3g s GLN 485 CO 0.03 -0.87 1.71 1.03 -2.12 0.00 0.00 175.29 175.07 1p3g h SER 486 N 1.53 -0.10 0.36 5.90 0.87 -2.00 -0.32 113.55 119.79 1p3g h SER 486 Ca -0.50 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.13 1p3g h SER 486 Cb 1.27 0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 63.37 1p3g h SER 486 CO 0.58 -0.02 -0.10 0.77 -0.53 0.00 0.00 176.83 177.54 1p3g h SER 487 N 0.16 0.00 -0.31 6.23 4.64 -1.99 -2.11 113.55 120.17 1p3g h SER 487 Ca 0.21 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.42 1p3g h SER 487 Cb 0.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1p3g h SER 487 CO -0.32 0.10 -0.25 0.00 -0.87 0.00 0.00 176.83 175.48 1p3g h ALA 488 N 1.90 0.45 -0.37 5.18 0.00 -1.41 -0.43 119.26 124.58 1p3g h ALA 488 Ca -0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1p3g h ALA 488 Cb 0.30 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1p3g h ALA 488 CO 0.01 0.43 -0.10 0.28 0.00 0.00 0.00 179.25 179.87 1p3g h VAL 489 N 0.47 1.24 -0.39 0.00 2.07 -0.99 -2.25 116.25 116.40 1p3g h VAL 489 Ca 0.06 -1.08 -0.08 0.00 0.82 0.00 0.00 66.70 66.42 1p3g h VAL 489 Cb 0.81 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1p3g h VAL 489 CO 0.06 0.36 -0.06 0.24 0.02 0.00 0.00 177.57 178.19 1p3g h MET 490 N 0.59 0.73 -0.57 1.57 2.86 -1.23 -1.36 114.93 117.52 1p3g h MET 490 Ca 0.11 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1p3g h MET 490 Cb 0.53 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.11 1p3g h MET 490 CO 0.03 0.86 0.37 0.00 1.06 0.00 0.00 176.91 179.23 1p3g h ALA 491 N 0.85 0.73 -0.89 6.32 0.00 -0.83 -0.17 119.26 125.27 1p3g h ALA 491 Ca 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1p3g h ALA 491 Cb 0.57 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1p3g h ALA 491 CO 0.03 0.17 0.54 -0.07 0.00 0.00 0.00 179.25 179.92 1p3g h LEU 492 N 0.77 1.06 -0.41 0.00 3.38 -1.21 -0.13 115.31 118.77 1p3g h LEU 492 Ca 0.21 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.97 1p3g h LEU 492 Cb -0.07 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 1p3g h LEU 492 CO -0.04 0.81 -0.30 -0.61 0.09 0.00 0.00 178.44 178.39 1p3g h GLN 493 N 1.22 0.94 -0.85 1.13 4.15 -0.72 -0.69 115.11 120.28 1p3g h GLN 493 Ca 0.32 -0.45 -0.00 0.00 0.77 0.00 0.00 58.65 59.28 1p3g h GLN 493 Cb -0.06 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.59 1p3g h GLN 493 CO -0.06 1.11 0.52 0.93 -1.93 0.00 0.00 178.83 179.40 1p3g h GLU 494 N 0.76 1.15 -0.48 1.69 4.39 -0.72 -0.79 114.58 120.59 1p3g h GLU 494 Ca 0.08 -0.10 -0.13 0.00 0.34 0.00 0.00 59.36 59.55 1p3g h GLU 494 Cb 0.89 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1p3g h GLU 494 CO 0.08 0.81 -0.20 0.00 -1.16 0.00 0.00 179.01 178.53 1p3g h ALA 495 N 1.28 0.73 -0.40 3.43 0.00 -0.79 -2.32 119.26 121.20 1p3g h ALA 495 Ca 0.31 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1p3g h ALA 495 Cb -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1p3g h ALA 495 CO -0.06 0.67 -0.26 0.77 0.00 0.00 0.00 179.25 180.37 1p3g h SER 496 N 0.84 0.92 -0.19 0.00 0.02 -0.83 -1.39 113.55 112.92 1p3g h SER 496 Ca 0.11 -0.43 -0.12 0.00 -0.84 0.00 0.00 61.79 60.51 1p3g h SER 496 Cb 0.77 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1p3g h SER 496 CO 0.06 1.15 -0.35 -0.33 -1.14 0.00 0.00 176.83 176.22 1p3g h GLU 497 N 0.70 0.57 -0.82 3.45 5.08 -1.16 -0.94 114.58 121.47 1p3g h GLU 497 Ca 0.08 -0.36 0.13 0.00 -1.00 0.00 0.00 59.36 58.21 1p3g h GLU 497 Cb 0.84 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.07 1p3g h GLU 497 CO 0.07 0.98 0.54 0.00 -1.00 0.00 0.00 179.01 179.60 1p3g h ALA 498 N 0.59 1.91 0.18 3.43 0.00 -1.39 0.52 119.26 124.51 1p3g h ALA 498 Ca 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1p3g h ALA 498 Cb 0.95 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1p3g h ALA 498 CO 0.08 -0.13 -0.09 -0.92 0.00 0.00 0.00 179.25 178.20 1p3g h TYR 499 N 0.60 -0.23 -0.51 0.00 3.20 -1.07 -3.02 116.97 115.94 1p3g h TYR 499 Ca 0.40 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.31 1p3g h TYR 499 Cb 0.71 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 39.01 1p3g h TYR 499 CO -0.00 0.17 0.25 -0.07 -1.64 0.00 0.00 178.16 176.87 1p3g h LEU 500 N -0.90 0.36 -0.66 2.82 3.38 -0.74 -0.87 115.31 118.70 1p3g h LEU 500 Ca -0.03 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1p3g h LEU 500 Cb 0.50 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 1p3g h LEU 500 CO 0.04 0.25 0.38 0.58 0.09 0.00 0.00 178.44 179.78 1p3g h VAL 501 N 0.50 0.99 -0.52 1.22 2.07 -1.02 0.38 116.25 119.86 1p3g h VAL 501 Ca 0.23 -0.24 -0.10 0.00 0.82 0.00 0.00 66.70 67.40 1p3g h VAL 501 Cb 0.14 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 1p3g h VAL 501 CO -0.16 0.13 -0.08 0.00 0.02 0.00 0.00 177.57 177.48 1p3g h ALA 502 N 1.33 0.89 0.00 1.67 0.00 -1.33 -1.52 119.26 120.31 1p3g h ALA 502 Ca 0.29 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1p3g h ALA 502 Cb 0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1p3g h ALA 502 CO -0.17 0.64 -0.21 1.25 0.00 0.00 0.00 179.25 180.77 1p3g h LEU 503 N 0.85 0.00 -0.63 0.00 5.85 0.22 -0.63 115.31 120.96 1p3g h LEU 503 Ca 0.14 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.72 1p3g h LEU 503 Cb 0.60 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1p3g h LEU 503 CO 0.04 0.21 -0.67 -0.26 -0.34 0.00 0.00 178.44 177.42 1p3g h PHE 504 N 0.00 0.00 0.09 1.25 0.05 0.42 -1.40 116.94 117.35 1p3g h PHE 504 Ca -0.00 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.78 1p3g h PHE 504 Cb 0.38 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.33 1p3g h PHE 504 CO 0.00 0.67 -0.04 0.93 -0.18 0.00 0.00 178.31 179.69 1p3g h GLU 505 N 0.00 -0.12 -0.28 1.51 5.08 -0.16 -2.03 114.58 118.58 1p3g h GLU 505 Ca -0.01 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1p3g h GLU 505 Cb 1.20 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1p3g h GLU 505 CO 0.09 0.17 -0.02 -0.44 -1.00 0.00 0.00 179.01 177.81 1p3g h ASP 506 N -0.40 0.40 -0.58 1.42 3.32 -1.33 -2.35 116.42 116.91 1p3g h ASP 506 Ca -0.01 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 56.90 1p3g h ASP 506 Cb 0.34 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1p3g h ASP 506 CO 0.02 0.48 0.11 0.74 -1.72 0.00 0.00 179.24 178.88 1p3g h THR 507 N 0.42 1.25 -0.04 0.35 2.02 -1.13 -1.96 112.91 113.82 1p3g h THR 507 Ca 0.09 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.32 1p3g h THR 507 Cb 0.31 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1p3g h THR 507 CO 0.01 0.35 0.02 -1.13 0.37 0.00 0.00 175.52 175.14 1p3g h ASN 508 N 0.85 0.04 -0.95 4.18 -1.24 -0.99 -0.74 115.58 116.73 1p3g h ASN 508 Ca 0.18 -0.00 0.10 0.00 0.71 0.00 0.00 56.30 57.29 1p3g h ASN 508 Cb 0.39 -0.01 -0.08 0.00 0.73 0.00 0.00 38.32 39.35 1p3g h ASN 508 CO 0.01 0.03 0.59 -0.07 -1.29 0.00 0.00 177.43 176.69 1p3g h LEU 509 N 0.05 0.87 -0.68 0.34 3.38 -1.21 -0.21 115.31 117.85 1p3g h LEU 509 Ca 0.01 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1p3g h LEU 509 Cb -0.00 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1p3g h LEU 509 CO -0.00 0.49 0.01 0.00 0.09 0.00 0.00 178.44 179.03 1p3g h ALA 511 N 1.05 0.30 -0.69 0.00 0.00 -0.25 -2.58 119.26 117.09 1p3g h ALA 511 Ca 0.17 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1p3g h ALA 511 Cb 0.53 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1p3g h ALA 511 CO 0.03 -0.13 0.28 0.82 0.00 0.00 0.00 179.25 180.24 1p3g h ILE 512 N 0.24 1.24 -0.66 0.00 2.04 -0.85 -1.13 117.51 118.38 1p3g h ILE 512 Ca 0.08 -0.73 0.11 0.00 1.00 0.00 0.00 64.86 65.31 1p3g h ILE 512 Cb 0.14 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 1p3g h ILE 512 CO -0.01 0.30 0.44 -0.74 0.00 0.00 0.00 178.15 178.14 1p3g h HIS 513 N 0.99 0.48 -0.43 1.37 2.76 -0.29 0.28 115.15 120.31 1p3g h HIS 513 Ca 0.23 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.35 1p3g h HIS 513 Cb 0.19 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 28.95 1p3g h HIS 513 CO 0.02 0.22 0.08 0.00 -1.30 0.00 0.00 177.93 176.94 1p3g n ALA 514 N -2.51 3.63 -3.34 5.26 0.00 -0.55 -4.91 120.51 118.08 1p3g n ALA 514 Ca 0.11 -1.38 -0.24 0.00 0.00 0.00 0.00 53.44 51.93 1p3g n ALA 514 Cb 0.40 -1.12 0.05 0.00 0.00 0.00 0.00 19.45 18.78 1p3g n ALA 514 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1p3g n LYS 515 N 0.23 -6.16 -4.58 0.00 5.02 0.97 -5.00 118.16 108.64 1p3g n LYS 515 Ca 0.22 0.83 -0.27 0.00 -2.02 0.00 0.00 58.31 57.08 1p3g n LYS 515 Cb 0.95 -5.78 -0.10 0.00 -0.02 0.00 0.00 35.03 30.08 1p3g n LYS 515 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1p3g s ARG 516 N -6.04 1.90 0.00 1.97 0.52 -0.54 -4.99 118.95 111.76 1p3g s ARG 516 Ca 0.45 -2.10 0.00 0.00 -0.52 0.00 0.00 55.73 53.57 1p3g s ARG 516 Cb -0.21 -1.34 0.00 0.00 0.52 0.00 0.00 34.95 33.93 1p3g s ARG 516 CO 0.56 -0.16 0.17 1.33 0.02 0.00 0.00 175.30 177.22 1p3g n VAL 517 N -0.92 0.00 -3.57 3.52 0.24 -1.26 -3.43 118.33 112.90 1p3g n VAL 517 Ca -0.06 -0.32 -0.41 0.00 -2.04 0.00 0.00 64.34 61.51 1p3g n VAL 517 Cb 0.67 1.18 -0.11 0.00 -1.47 0.00 0.00 33.84 34.11 1p3g n VAL 517 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1p3g s THR 518 N -0.31 4.80 0.35 3.34 2.01 -1.26 -5.03 115.64 119.54 1p3g s THR 518 Ca 0.00 -0.65 -0.28 0.00 0.31 0.00 0.00 61.69 61.08 1p3g s THR 518 Cb 0.00 -3.60 -0.10 0.00 0.01 0.00 0.00 72.50 68.81 1p3g s THR 518 CO 0.00 -0.16 1.27 0.27 -0.69 0.00 0.00 174.62 175.31 1p3g s ILE 519 N 1.61 2.82 0.32 1.82 -4.36 -1.26 -4.93 121.20 117.22 1p3g s ILE 519 Ca 0.04 0.80 0.03 0.00 -0.26 0.00 0.00 60.65 61.25 1p3g s ILE 519 Cb -0.18 -3.49 -0.05 0.00 1.25 0.00 0.00 42.46 39.98 1p3g s ILE 519 CO 0.08 0.17 0.08 -0.04 0.24 0.00 0.00 174.94 175.46 1p3g s MET 520 N -1.89 1.61 0.32 0.37 -1.94 -1.26 -5.03 119.30 111.49 1p3g s MET 520 Ca 0.51 -1.90 0.01 0.00 -1.71 0.00 0.00 55.69 52.60 1p3g s MET 520 Cb -0.38 -0.65 0.55 0.00 2.01 0.00 0.00 34.83 36.37 1p3g s MET 520 CO 0.50 -0.26 1.92 -1.35 -0.01 0.00 0.00 175.02 175.82 1p3g h PRO 521 N 2.16 0.77 0.00 2.03 0.11 -2.00 -0.72 132.00 134.34 1p3g h PRO 521 Ca -0.39 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1p3g h PRO 521 Cb 1.25 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1p3g h PRO 521 CO 0.65 0.62 -0.04 1.57 -0.21 0.00 0.00 178.00 180.59 1p3g h LYS 522 N 0.77 0.00 -0.37 1.05 2.10 -1.98 0.88 116.57 119.02 1p3g h LYS 522 Ca 0.19 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.72 1p3g h LYS 522 Cb 0.12 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.44 1p3g h LYS 522 CO -0.02 0.04 -0.21 -0.44 -2.00 0.00 0.00 179.45 176.81 1p3g h ASP 523 N 0.00 0.82 -0.40 7.07 3.32 -1.48 -0.15 116.42 125.60 1p3g h ASP 523 Ca -0.00 -0.42 -0.09 0.00 0.02 0.00 0.00 57.03 56.54 1p3g h ASP 523 Cb 0.07 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1p3g h ASP 523 CO 0.00 1.06 -0.08 0.40 -1.72 0.00 0.00 179.24 178.90 1p3g h ILE 524 N 0.58 1.27 -0.24 0.35 2.04 -1.00 -2.35 117.51 118.17 1p3g h ILE 524 Ca 0.08 -1.16 0.03 0.00 1.00 0.00 0.00 64.86 64.80 1p3g h ILE 524 Cb 0.77 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 1p3g h ILE 524 CO 0.06 0.39 0.06 1.56 0.00 0.00 0.00 178.15 180.22 1p3g h GLN 525 N 0.57 0.16 -0.48 2.37 4.20 -0.80 -1.13 115.11 120.00 1p3g h GLN 525 Ca 0.10 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1p3g h GLN 525 Cb 0.60 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1p3g h GLN 525 CO 0.04 0.10 0.30 1.25 -0.67 0.00 0.00 178.83 179.85 1p3g h LEU 526 N 0.16 0.56 0.47 1.46 5.85 -0.95 0.13 115.31 122.99 1p3g h LEU 526 Ca 0.11 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1p3g h LEU 526 Cb 0.10 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1p3g h LEU 526 CO -0.13 0.43 -0.23 0.00 -0.34 0.00 0.00 178.44 178.17 1p3g h ALA 527 N 1.15 -0.63 -0.60 1.25 0.00 -1.08 -0.53 119.26 118.83 1p3g h ALA 527 Ca 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1p3g h ALA 527 Cb -0.04 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1p3g h ALA 527 CO -0.03 -0.85 0.38 0.00 0.00 0.00 0.00 179.25 178.74 1p3g h ARG 528 N -0.63 0.79 -0.77 0.00 3.08 -1.14 0.11 114.38 115.82 1p3g h ARG 528 Ca -0.06 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 1p3g h ARG 528 Cb 0.48 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 1p3g h ARG 528 CO 0.10 0.54 0.28 -0.09 -1.07 0.00 0.00 179.97 179.73 1p3g h ARG 529 N 0.81 1.17 0.00 0.04 1.12 -0.50 -1.46 114.38 115.57 1p3g h ARG 529 Ca 0.22 -0.22 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 1p3g h ARG 529 Cb -0.07 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 29.71 1p3g h ARG 529 CO -0.04 0.96 0.00 0.82 -3.11 0.00 0.00 179.97 178.60 1p3g h ILE 530 N 1.13 0.00 0.00 1.20 2.04 -0.06 -2.89 117.51 118.93 1p3g h ILE 530 Ca 0.25 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 65.15 1p3g h ILE 530 Cb 0.25 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1p3g h ILE 530 CO -0.02 0.00 0.00 0.54 0.00 0.00 0.00 178.15 178.67 1p3g n ARG 531 N -3.08 0.08 -0.77 2.37 1.74 0.29 -4.88 116.66 112.41 1p3g n ARG 531 Ca 0.04 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 1p3g n ARG 531 Cb 0.52 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 1p3g n ARG 531 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1p3g n GLY 532 N 1.03 0.62 0.00 -0.13 0.00 -0.87 -4.89 105.19 100.94 1p3g n GLY 532 Ca 0.06 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.21 1p3g n GLY 532 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1p3g n GLU 533 N -2.77 0.27 -1.48 1.61 1.02 -0.61 -2.37 120.64 116.31 1p3g n GLU 533 Ca 0.00 0.01 -0.02 0.00 -0.02 0.00 0.00 57.16 57.13 1p3g n GLU 533 Cb 0.00 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.01 1p3g n GLU 533 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1p3g n ARG 534 N -1.36 1.59 0.00 3.49 1.74 -1.22 -4.97 116.66 115.92 1p3g n ARG 534 Ca 0.11 -3.16 0.00 0.00 -0.77 0.00 0.00 57.85 54.04 1p3g n ARG 534 Cb 0.27 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 1p3g n ARG 534 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11