#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nqb s HIS 439 N 0.00 3.45 -0.30 0.54 2.46 -1.26 -5.08 115.29 115.11 2nqb s HIS 439 Ca 0.00 1.31 -0.13 0.00 0.47 0.00 0.00 55.06 56.71 2nqb s HIS 439 Cb 0.00 -2.66 0.13 0.00 -0.13 0.00 0.00 32.58 29.92 2nqb s HIS 439 CO 0.00 -0.25 0.76 0.50 -2.47 0.00 0.00 174.74 173.28 2nqb s ARG 440 N -3.93 0.52 0.28 2.88 3.52 -1.26 -5.16 118.95 115.80 2nqb s ARG 440 Ca 0.56 1.19 -0.29 0.00 -0.13 0.00 0.00 55.73 57.06 2nqb s ARG 440 Cb -0.10 0.59 -0.09 0.00 -1.56 0.00 0.00 34.95 33.79 2nqb s ARG 440 CO 0.30 -0.16 0.99 0.71 -0.81 0.00 0.00 175.30 176.33 2nqb s TYR 441 N 2.46 3.78 0.53 5.12 1.51 -1.26 -5.03 117.35 124.46 2nqb s TYR 441 Ca -0.06 1.82 -0.19 0.00 -1.01 0.00 0.00 57.07 57.63 2nqb s TYR 441 Cb -0.09 -3.06 -0.06 0.00 -0.11 0.00 0.00 41.96 38.64 2nqb s TYR 441 CO -0.18 0.08 1.07 1.03 -1.11 0.00 0.00 175.55 176.44 2nqb s ARG 442 N -1.49 3.53 0.02 -0.62 0.52 -1.26 -4.93 118.95 114.73 2nqb s ARG 442 Ca 0.45 1.42 -0.37 0.00 -0.52 0.00 0.00 55.73 56.71 2nqb s ARG 442 Cb -0.26 -2.05 -0.16 0.00 0.52 0.00 0.00 34.95 33.00 2nqb s ARG 442 CO 0.33 -0.66 1.47 -2.30 0.02 0.00 0.00 175.30 174.15 2nqb n PRO 443 N -1.31 1.33 0.00 3.54 -0.02 -1.26 -1.52 135.00 135.76 2nqb n PRO 443 Ca 0.10 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2nqb n PRO 443 Cb 0.52 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 2nqb n PRO 443 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nqb n GLY 444 N 3.02 2.78 0.18 -1.23 0.00 -1.26 -4.91 105.19 103.78 2nqb n GLY 444 Ca 0.20 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.68 2nqb n GLY 444 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2nqb h THR 445 N 0.00 1.08 -0.00 2.61 2.02 -1.64 0.58 112.91 117.56 2nqb h THR 445 Ca 0.00 -0.19 -0.19 0.00 0.77 0.00 0.00 66.41 66.80 2nqb h THR 445 Cb 0.00 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 2nqb h THR 445 CO 0.00 0.10 -0.85 0.58 0.37 0.00 0.00 175.52 175.72 2nqb h VAL 446 N 0.55 1.50 -0.47 3.16 2.07 -1.91 -2.39 116.25 118.75 2nqb h VAL 446 Ca 0.17 -2.59 -0.04 0.00 0.82 0.00 0.00 66.70 65.05 2nqb h VAL 446 Cb -0.03 2.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 2nqb h VAL 446 CO -0.06 0.75 0.13 0.00 0.02 0.00 0.00 177.57 178.42 2nqb h ALA 447 N 1.02 0.62 -0.69 1.67 0.00 -1.85 0.36 119.26 120.38 2nqb h ALA 447 Ca -0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2nqb h ALA 447 Cb 1.47 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 2nqb h ALA 447 CO 0.13 0.28 0.34 1.25 0.00 0.00 0.00 179.25 181.25 2nqb h LEU 448 N 0.63 0.88 -0.70 0.00 5.85 -0.85 -0.38 115.31 120.73 2nqb h LEU 448 Ca 0.15 -0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 2nqb h LEU 448 Cb 0.29 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2nqb h LEU 448 CO -0.00 0.74 -0.14 -0.09 -0.34 0.00 0.00 178.44 178.61 2nqb h ARG 449 N 0.97 0.86 -0.58 1.25 2.43 -0.90 -2.41 114.38 115.99 2nqb h ARG 449 Ca 0.24 -0.31 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 2nqb h ARG 449 Cb 0.09 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 2nqb h ARG 449 CO -0.03 0.94 0.01 0.93 -1.51 0.00 0.00 179.97 180.31 2nqb h GLU 450 N 0.76 1.03 -0.50 0.20 5.08 -0.07 -1.29 114.58 119.79 2nqb h GLU 450 Ca 0.12 -0.32 0.01 0.00 -1.00 0.00 0.00 59.36 58.17 2nqb h GLU 450 Cb 0.66 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 2nqb h GLU 450 CO 0.05 1.01 0.32 0.82 -1.00 0.00 0.00 179.01 180.21 2nqb h ILE 451 N 0.92 1.11 -0.70 3.13 2.04 -0.91 0.89 117.51 123.99 2nqb h ILE 451 Ca 0.17 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.73 2nqb h ILE 451 Cb 0.54 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 2nqb h ILE 451 CO 0.03 0.12 0.15 0.03 0.00 0.00 0.00 178.15 178.48 2nqb h ARG 452 N 0.65 1.13 -0.08 2.37 3.08 -1.22 -1.49 114.38 118.82 2nqb h ARG 452 Ca 0.19 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 2nqb h ARG 452 Cb -0.05 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.85 2nqb h ARG 452 CO -0.05 1.00 0.01 -0.09 -1.07 0.00 0.00 179.97 179.76 2nqb h ARG 453 N 1.06 0.14 0.00 0.04 2.43 -0.72 -2.93 114.38 114.40 2nqb h ARG 453 Ca 0.22 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 2nqb h ARG 453 Cb 0.39 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2nqb h ARG 453 CO 0.01 0.38 -0.16 1.88 -1.51 0.00 0.00 179.97 180.56 2nqb h TYR 454 N -0.12 0.00 0.00 2.20 -1.99 -0.79 -2.80 116.97 113.47 2nqb h TYR 454 Ca 0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 2nqb h TYR 454 Cb 0.31 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.04 2nqb h TYR 454 CO 0.02 0.16 -0.01 1.96 -0.00 0.00 0.00 178.16 180.29 2nqb h GLN 455 N 0.00 0.00 0.18 4.88 4.20 -1.28 -3.22 115.11 119.87 2nqb h GLN 455 Ca -0.00 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.35 2nqb h GLN 455 Cb 0.92 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.71 2nqb h GLN 455 CO 0.02 0.00 -1.78 0.87 -0.67 0.00 0.00 178.83 177.27 2nqb h LYS 456 N 0.00 0.39 -7.56 1.46 1.57 -1.31 -3.48 116.57 107.64 2nqb h LYS 456 Ca 0.00 -0.66 -0.47 0.00 -1.87 0.00 0.00 60.65 57.65 2nqb h LYS 456 Cb 0.76 0.25 0.10 0.00 0.08 0.00 0.00 32.23 33.41 2nqb h LYS 456 CO 0.00 1.32 0.37 -1.54 -0.57 0.00 0.00 179.45 179.03 2nqb s SER 457 N -7.28 4.52 0.00 0.86 1.04 -1.08 -5.03 113.70 106.73 2nqb s SER 457 Ca -0.17 0.69 0.00 0.00 0.48 0.00 0.00 55.95 56.95 2nqb s SER 457 Cb 0.05 -1.20 0.00 0.00 0.10 0.00 0.00 66.02 64.97 2nqb s SER 457 CO 0.85 -1.87 0.23 0.35 0.98 0.00 0.00 173.24 173.77 2nqb n THR 458 N -3.25 0.01 -1.55 2.02 -2.24 -1.26 -4.96 114.28 103.06 2nqb n THR 458 Ca 0.08 -0.22 -0.34 0.00 -2.27 0.00 0.00 64.05 61.31 2nqb n THR 458 Cb 0.61 1.55 0.08 0.00 -2.10 0.00 0.00 70.33 70.47 2nqb n THR 458 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2nqb s GLU 459 N -0.01 2.35 0.41 -0.78 4.04 -1.26 -4.96 118.70 118.49 2nqb s GLU 459 Ca 0.00 1.66 -0.26 0.00 0.04 0.00 0.00 54.97 56.42 2nqb s GLU 459 Cb 0.00 -1.87 -0.08 0.00 0.02 0.00 0.00 34.13 32.20 2nqb s GLU 459 CO 0.00 -1.65 1.28 -0.51 -1.84 0.00 0.00 175.26 172.54 2nqb s LEU 460 N -5.02 4.19 0.00 1.83 1.43 -1.26 -4.95 118.68 114.90 2nqb s LEU 460 Ca 0.72 2.59 0.18 0.00 -1.03 0.00 0.00 54.13 56.59 2nqb s LEU 460 Cb -0.27 -3.94 -0.19 0.00 0.03 0.00 0.00 46.19 41.82 2nqb s LEU 460 CO 0.44 -0.84 0.76 0.18 0.23 0.00 0.00 176.35 177.11 2nqb n LEU 461 N 0.07 0.87 -4.87 1.79 4.77 -1.26 -4.91 117.00 113.45 2nqb n LEU 461 Ca 0.04 -0.51 -0.32 0.00 -0.03 0.00 0.00 56.01 55.19 2nqb n LEU 461 Cb 0.44 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 2nqb n LEU 461 CO 0.55 0.21 -0.18 -0.63 -1.33 0.00 0.00 177.39 176.00 2nqb s ILE 462 N -2.65 5.19 0.28 -0.08 1.01 -1.26 -5.07 121.20 118.62 2nqb s ILE 462 Ca 0.07 -0.33 -0.29 0.00 0.00 0.00 0.00 60.65 60.10 2nqb s ILE 462 Cb 0.13 -3.45 -0.10 0.00 0.01 0.00 0.00 42.46 39.05 2nqb s ILE 462 CO 0.72 0.26 1.10 -0.13 0.00 0.00 0.00 174.94 176.89 2nqb s ARG 463 N -2.09 4.62 0.05 2.79 0.52 -1.26 -4.98 118.95 118.60 2nqb s ARG 463 Ca 0.29 1.80 -0.20 0.00 -0.52 0.00 0.00 55.73 57.10 2nqb s ARG 463 Cb -0.13 -3.17 -0.09 0.00 0.52 0.00 0.00 34.95 32.09 2nqb s ARG 463 CO 0.21 0.20 1.32 0.87 0.02 0.00 0.00 175.30 177.91 2nqb h LYS 464 N 3.77 -0.47 -0.36 3.54 1.79 -1.97 -2.61 116.57 120.26 2nqb h LYS 464 Ca -0.47 0.03 0.08 0.00 -2.18 0.00 0.00 60.65 58.11 2nqb h LYS 464 Cb 1.21 0.11 -0.08 0.00 -1.58 0.00 0.00 32.23 31.89 2nqb h LYS 464 CO 0.67 -0.31 -0.23 1.25 -1.08 0.00 0.00 179.45 179.74 2nqb h LEU 465 N -0.49 -0.77 -0.91 2.94 5.85 -1.98 0.24 115.31 120.19 2nqb h LEU 465 Ca -0.02 0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.94 2nqb h LEU 465 Cb 0.46 0.39 -0.07 0.00 0.37 0.00 0.00 40.66 41.81 2nqb h LEU 465 CO -0.11 -0.26 0.56 -0.65 -0.34 0.00 0.00 178.44 177.64 2nqb h PRO 466 N -0.18 0.94 -0.43 5.25 0.11 -1.98 0.48 132.00 136.19 2nqb h PRO 466 Ca 0.18 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.16 2nqb h PRO 466 Cb 0.46 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.34 2nqb h PRO 466 CO -0.46 0.62 -0.01 0.35 -0.21 0.00 0.00 178.00 178.29 2nqb h PHE 467 N 0.97 0.83 -0.44 0.65 3.57 -0.84 -2.27 116.94 119.40 2nqb h PHE 467 Ca 0.42 -0.15 0.05 0.00 3.53 0.00 0.00 57.97 61.82 2nqb h PHE 467 Cb 0.29 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 2nqb h PHE 467 CO -0.03 0.82 0.19 0.37 -2.23 0.00 0.00 178.31 177.44 2nqb h GLN 468 N 0.60 0.38 -0.83 1.11 4.15 0.61 -0.68 115.11 120.44 2nqb h GLN 468 Ca 0.12 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.52 2nqb h GLN 468 Cb 0.50 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.06 2nqb h GLN 468 CO 0.02 0.25 0.52 0.00 -1.93 0.00 0.00 178.83 177.69 2nqb h ARG 469 N 0.39 1.12 -0.18 1.69 3.08 -0.80 -1.33 114.38 118.35 2nqb h ARG 469 Ca 0.20 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 2nqb h ARG 469 Cb 0.15 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 2nqb h ARG 469 CO -0.17 0.77 0.07 1.25 -1.07 0.00 0.00 179.97 180.82 2nqb h LEU 470 N 1.14 0.25 -0.56 3.04 5.85 -0.83 -0.73 115.31 123.47 2nqb h LEU 470 Ca 0.30 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.87 2nqb h LEU 470 Cb -0.08 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 2nqb h LEU 470 CO -0.06 0.35 0.35 0.58 -0.34 0.00 0.00 178.44 179.32 2nqb h VAL 471 N 0.14 1.09 -0.61 1.05 2.07 -0.87 -1.75 116.25 117.36 2nqb h VAL 471 Ca 0.06 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 2nqb h VAL 471 Cb 0.18 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 2nqb h VAL 471 CO -0.00 0.13 0.05 0.03 0.02 0.00 0.00 177.57 177.80 2nqb h ARG 472 N 0.70 1.04 0.31 1.57 3.08 -1.12 -1.06 114.38 118.91 2nqb h ARG 472 Ca 0.22 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2nqb h ARG 472 Cb -0.02 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.92 2nqb h ARG 472 CO -0.08 0.98 -0.15 1.49 -1.07 0.00 0.00 179.97 181.14 2nqb h GLU 473 N 0.96 -0.41 -0.69 0.04 4.81 -0.73 -0.43 114.58 118.13 2nqb h GLU 473 Ca 0.18 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.46 2nqb h GLU 473 Cb 0.48 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 2nqb h GLU 473 CO 0.02 -0.27 0.45 0.82 -0.73 0.00 0.00 179.01 179.30 2nqb h ILE 474 N -0.42 1.15 -0.31 2.32 2.04 -1.23 -2.12 117.51 118.93 2nqb h ILE 474 Ca -0.04 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 2nqb h ILE 474 Cb 0.33 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 2nqb h ILE 474 CO 0.07 0.17 -0.02 0.00 0.00 0.00 0.00 178.15 178.37 2nqb h ALA 475 N 1.27 1.39 -0.10 1.87 0.00 -1.00 -2.24 119.26 120.46 2nqb h ALA 475 Ca 0.26 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2nqb h ALA 475 Cb -0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2nqb h ALA 475 CO -0.07 0.42 0.09 0.37 0.00 0.00 0.00 179.25 180.06 2nqb h GLN 476 N 0.47 0.00 0.00 0.00 5.75 -0.37 0.02 115.11 120.98 2nqb h GLN 476 Ca 0.10 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 2nqb h GLN 476 Cb 0.33 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.88 2nqb h GLN 476 CO 0.01 0.00 0.00 -0.25 -2.65 0.00 0.00 178.83 175.94 2nqb n ASP 477 N -4.09 0.65 -0.10 -0.69 10.43 -0.84 -3.70 116.55 118.21 2nqb n ASP 477 Ca -0.01 0.58 -0.12 0.00 2.57 0.00 0.00 54.79 57.81 2nqb n ASP 477 Cb 0.20 -0.75 -0.13 0.00 1.84 0.00 0.00 41.12 42.28 2nqb n ASP 477 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 2nqb n PHE 478 N -2.14 0.00 -3.64 1.24 3.01 -0.07 -4.98 117.46 110.89 2nqb n PHE 478 Ca 0.05 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.44 2nqb n PHE 478 Cb 0.37 -0.91 -0.07 0.00 -0.01 0.00 0.00 39.48 38.86 2nqb n PHE 478 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2nqb s LYS 479 N -2.46 0.68 0.50 -1.08 2.20 -0.82 -5.16 119.74 113.60 2nqb s LYS 479 Ca -0.19 1.16 -0.07 0.00 -0.36 0.00 0.00 55.97 56.51 2nqb s LYS 479 Cb 0.07 0.15 -0.04 0.00 -1.51 0.00 0.00 37.83 36.49 2nqb s LYS 479 CO 0.66 -0.14 0.83 0.95 -0.36 0.00 0.00 175.35 177.29 2nqb s THR 480 N 1.54 4.86 -1.16 3.43 -4.23 -1.26 -4.13 115.64 114.70 2nqb s THR 480 Ca -0.09 0.37 -0.04 0.00 -1.18 0.00 0.00 61.69 60.74 2nqb s THR 480 Cb -0.05 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.95 2nqb s THR 480 CO -0.18 -0.86 0.99 -0.67 -0.54 0.00 0.00 174.62 173.35 2nqb n ASP 481 N -2.23 -4.10 -4.88 3.99 2.03 -1.26 -5.00 116.55 105.09 2nqb n ASP 481 Ca 0.02 -0.52 -0.32 0.00 0.52 0.00 0.00 54.79 54.48 2nqb n ASP 481 Cb 0.55 -4.62 -0.05 0.00 -0.72 0.00 0.00 41.12 36.27 2nqb n ASP 481 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2nqb s LEU 482 N -6.32 4.25 0.20 -2.67 1.43 -1.26 -5.10 118.68 109.21 2nqb s LEU 482 Ca 0.28 0.73 0.08 0.00 -1.03 0.00 0.00 54.13 54.20 2nqb s LEU 482 Cb -0.12 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 2nqb s LEU 482 CO 0.66 0.04 -0.04 -0.13 0.23 0.00 0.00 176.35 177.10 2nqb s ARG 483 N -2.55 2.23 -0.05 1.70 0.52 -1.26 -5.11 118.95 114.43 2nqb s ARG 483 Ca 0.41 -1.25 0.02 0.00 -0.52 0.00 0.00 55.73 54.40 2nqb s ARG 483 Cb -0.12 -2.22 0.01 0.00 0.52 0.00 0.00 34.95 33.14 2nqb s ARG 483 CO 0.22 0.43 -0.10 -0.06 0.02 0.00 0.00 175.30 175.81 2nqb s PHE 484 N -1.85 1.20 0.59 -0.53 0.40 -1.26 -5.12 117.98 111.41 2nqb s PHE 484 Ca 0.27 -0.39 -0.18 0.00 -0.60 0.00 0.00 56.93 56.03 2nqb s PHE 484 Cb -0.08 -0.89 -0.03 0.00 0.51 0.00 0.00 43.02 42.52 2nqb s PHE 484 CO 0.17 -0.21 1.18 -0.65 0.70 0.00 0.00 175.22 176.42 2nqb s GLN 485 N 0.58 3.01 0.37 0.44 -0.21 -1.26 -4.87 119.66 117.71 2nqb s GLN 485 Ca -0.11 1.74 0.10 0.00 0.02 0.00 0.00 55.36 57.11 2nqb s GLN 485 Cb -0.14 -1.94 0.72 0.00 1.00 0.00 0.00 33.01 32.65 2nqb s GLN 485 CO 0.02 -1.16 1.86 0.66 -2.12 0.00 0.00 175.29 174.55 2nqb h SER 486 N 0.84 0.16 0.40 5.90 4.64 -2.00 -1.81 113.55 121.67 2nqb h SER 486 Ca -0.50 -0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 60.72 2nqb h SER 486 Cb 1.29 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 2nqb h SER 486 CO 0.55 0.42 -0.25 0.77 -0.87 0.00 0.00 176.83 177.44 2nqb h SER 487 N 0.15 0.00 -0.21 4.97 4.64 -1.99 -2.04 113.55 119.06 2nqb h SER 487 Ca 0.02 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 2nqb h SER 487 Cb 0.53 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 2nqb h SER 487 CO 0.04 0.25 0.04 0.00 -0.87 0.00 0.00 176.83 176.30 2nqb h ALA 488 N 1.75 0.28 -0.41 5.18 0.00 -1.68 -0.10 119.26 124.27 2nqb h ALA 488 Ca -0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 2nqb h ALA 488 Cb 0.52 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2nqb h ALA 488 CO 0.03 -0.07 0.03 0.28 0.00 0.00 0.00 179.25 179.53 2nqb h VAL 489 N 0.15 1.21 -0.36 0.00 2.07 -1.39 -2.01 116.25 115.93 2nqb h VAL 489 Ca 0.06 -0.82 -0.14 0.00 0.82 0.00 0.00 66.70 66.63 2nqb h VAL 489 Cb 0.29 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2nqb h VAL 489 CO 0.00 0.29 -0.30 0.24 0.02 0.00 0.00 177.57 177.82 2nqb h MET 490 N 0.61 0.84 -0.66 1.57 2.86 -1.08 -1.05 114.93 118.01 2nqb h MET 490 Ca 0.13 -0.42 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 2nqb h MET 490 Cb 0.34 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 2nqb h MET 490 CO 0.01 1.06 0.42 0.00 1.06 0.00 0.00 176.91 179.45 2nqb h ALA 491 N 0.76 0.84 -0.79 6.32 0.00 -0.84 -0.59 119.26 124.97 2nqb h ALA 491 Ca 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2nqb h ALA 491 Cb 0.88 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 2nqb h ALA 491 CO 0.08 0.30 0.46 1.25 0.00 0.00 0.00 179.25 181.33 2nqb h LEU 492 N 0.90 0.96 -0.23 0.00 5.85 -1.17 -0.62 115.31 120.99 2nqb h LEU 492 Ca 0.24 -0.07 -0.21 0.00 0.84 0.00 0.00 57.88 58.69 2nqb h LEU 492 Cb -0.06 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 2nqb h LEU 492 CO -0.05 0.75 -0.91 -0.61 -0.34 0.00 0.00 178.44 177.28 2nqb h GLN 493 N 1.09 0.22 -0.27 1.25 4.15 -0.53 -1.67 115.11 119.36 2nqb h GLN 493 Ca 0.28 -0.25 -0.07 0.00 0.77 0.00 0.00 58.65 59.38 2nqb h GLN 493 Cb -0.01 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 2nqb h GLN 493 CO -0.05 0.99 -0.12 0.93 -1.93 0.00 0.00 178.83 178.65 2nqb h GLU 494 N 0.12 0.55 -0.39 1.69 4.39 -0.81 -1.23 114.58 118.91 2nqb h GLU 494 Ca -0.05 -0.24 -0.04 0.00 0.34 0.00 0.00 59.36 59.37 2nqb h GLU 494 Cb 1.55 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 30.17 2nqb h GLU 494 CO 0.14 0.80 0.11 0.00 -1.16 0.00 0.00 179.01 178.90 2nqb h ALA 495 N 0.74 0.52 -0.07 3.43 0.00 -1.13 -1.12 119.26 121.62 2nqb h ALA 495 Ca 0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2nqb h ALA 495 Cb 0.63 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2nqb h ALA 495 CO 0.04 0.18 0.04 0.77 0.00 0.00 0.00 179.25 180.28 2nqb h SER 496 N 0.49 0.09 -0.42 0.00 0.02 -1.29 -0.18 113.55 112.25 2nqb h SER 496 Ca 0.12 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 60.91 2nqb h SER 496 Cb 0.29 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 2nqb h SER 496 CO -0.00 0.14 -0.03 -0.33 -1.14 0.00 0.00 176.83 175.47 2nqb h GLU 497 N 0.03 0.84 -0.37 3.45 5.08 -1.18 -0.47 114.58 121.95 2nqb h GLU 497 Ca 0.03 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.04 2nqb h GLU 497 Cb 0.07 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2nqb h GLU 497 CO -0.00 0.86 -0.18 0.00 -1.00 0.00 0.00 179.01 178.69 2nqb h ALA 498 N 1.19 0.99 -0.14 3.43 0.00 -1.05 -1.13 119.26 122.54 2nqb h ALA 498 Ca 0.14 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2nqb h ALA 498 Cb 0.51 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2nqb h ALA 498 CO 0.03 0.60 0.00 -0.92 0.00 0.00 0.00 179.25 178.96 2nqb h TYR 499 N 0.62 0.26 -0.58 0.00 3.20 -0.56 -1.95 116.97 117.97 2nqb h TYR 499 Ca 0.10 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.83 2nqb h TYR 499 Cb 0.65 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 2nqb h TYR 499 CO 0.03 0.47 0.01 -0.07 -1.64 0.00 0.00 178.16 176.96 2nqb h LEU 500 N -0.02 0.96 -0.39 2.82 3.38 -0.95 -1.18 115.31 119.93 2nqb h LEU 500 Ca 0.04 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 2nqb h LEU 500 Cb 0.36 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2nqb h LEU 500 CO 0.01 1.01 0.18 0.58 0.09 0.00 0.00 178.44 180.31 2nqb h VAL 501 N 0.91 1.18 -0.77 1.22 2.07 -1.19 0.11 116.25 119.78 2nqb h VAL 501 Ca 0.17 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 2nqb h VAL 501 Cb 0.52 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2nqb h VAL 501 CO 0.03 0.19 0.38 1.23 0.02 0.00 0.00 177.57 179.42 2nqb h GLY 502 N 0.49 1.16 1.04 2.17 0.00 -1.16 -1.46 103.07 105.32 2nqb h GLY 502 Ca 0.13 -0.55 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 2nqb h GLY 502 CO -0.02 0.53 -0.18 -2.00 0.00 0.00 0.00 176.54 174.88 2nqb h LEU 503 N 1.08 0.90 -1.69 3.11 5.85 -0.84 -2.61 115.31 121.12 2nqb h LEU 503 Ca 0.27 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 2nqb h LEU 503 Cb 0.09 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2nqb h LEU 503 CO -0.04 1.09 -0.04 -0.26 -0.34 0.00 0.00 178.44 178.86 2nqb h PHE 504 N 0.71 0.15 0.03 1.25 0.05 -0.39 0.12 116.94 118.85 2nqb h PHE 504 Ca 0.10 -0.01 -0.00 0.00 3.82 0.00 0.00 57.97 61.88 2nqb h PHE 504 Cb 0.73 -0.05 0.00 0.00 2.00 0.00 0.00 35.95 38.64 2nqb h PHE 504 CO 0.05 0.19 -0.01 0.93 -0.18 0.00 0.00 178.31 179.29 2nqb h GLU 505 N 0.15 -0.04 -0.46 1.51 5.08 -0.98 -1.02 114.58 118.82 2nqb h GLU 505 Ca 0.03 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 2nqb h GLU 505 Cb 0.17 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2nqb h GLU 505 CO 0.01 0.23 0.00 -0.44 -1.00 0.00 0.00 179.01 177.81 2nqb h ASP 506 N -0.30 0.72 -0.67 1.42 3.32 -1.07 -2.51 116.42 117.32 2nqb h ASP 506 Ca -0.00 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 2nqb h ASP 506 Cb 0.28 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 2nqb h ASP 506 CO 0.01 0.79 0.32 0.74 -1.72 0.00 0.00 179.24 179.38 2nqb h THR 507 N 0.71 1.23 -0.85 0.35 2.02 -0.69 -2.24 112.91 113.43 2nqb h THR 507 Ca 0.14 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 2nqb h THR 507 Cb 0.43 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 2nqb h THR 507 CO 0.02 0.26 0.49 -1.13 0.37 0.00 0.00 175.52 175.53 2nqb h ASN 508 N 0.93 1.03 -0.02 4.18 -1.24 -0.78 -1.26 115.58 118.43 2nqb h ASN 508 Ca 0.23 -0.07 -0.08 0.00 0.71 0.00 0.00 56.30 57.09 2nqb h ASN 508 Cb 0.12 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.89 2nqb h ASN 508 CO -0.03 0.81 -0.21 -0.07 -1.29 0.00 0.00 177.43 176.64 2nqb h LEU 509 N 1.18 0.40 -0.25 0.34 3.38 -1.06 -1.24 115.31 118.05 2nqb h LEU 509 Ca 0.30 -0.12 -0.18 0.00 0.09 0.00 0.00 57.88 57.97 2nqb h LEU 509 Cb -0.01 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2nqb h LEU 509 CO -0.05 0.62 -0.56 0.00 0.09 0.00 0.00 178.44 178.54 2nqb h ALA 511 N 0.64 0.25 -0.47 0.00 0.00 -1.13 -2.31 119.26 116.24 2nqb h ALA 511 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2nqb h ALA 511 Cb 1.18 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2nqb h ALA 511 CO 0.12 -0.12 0.24 0.82 0.00 0.00 0.00 179.25 180.31 2nqb h ILE 512 N 0.12 1.15 -0.75 0.00 2.04 -1.20 -0.93 117.51 117.95 2nqb h ILE 512 Ca 0.06 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 2nqb h ILE 512 Cb 0.25 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 2nqb h ILE 512 CO -0.00 0.17 0.42 -0.74 0.00 0.00 0.00 178.15 178.00 2nqb h HIS 513 N 0.65 1.01 -0.14 1.37 2.76 -0.68 0.26 115.15 120.38 2nqb h HIS 513 Ca 0.17 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 2nqb h HIS 513 Cb 0.05 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 28.68 2nqb h HIS 513 CO 0.00 0.70 0.00 0.00 -1.30 0.00 0.00 177.93 177.33 2nqb n ALA 514 N -2.43 2.71 -3.21 5.26 0.00 -0.48 -4.87 120.51 117.50 2nqb n ALA 514 Ca 0.08 -0.39 -0.21 0.00 0.00 0.00 0.00 53.44 52.91 2nqb n ALA 514 Cb 0.09 -1.02 0.05 0.00 0.00 0.00 0.00 19.45 18.58 2nqb n ALA 514 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2nqb n LYS 515 N 0.10 -5.80 -4.56 0.00 5.02 0.08 -5.01 118.16 107.99 2nqb n LYS 515 Ca 0.06 0.80 -0.26 0.00 -2.02 0.00 0.00 58.31 56.89 2nqb n LYS 515 Cb 0.37 -5.56 -0.11 0.00 -0.02 0.00 0.00 35.03 29.70 2nqb n LYS 515 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2nqb s ARG 516 N -5.88 1.84 0.00 1.97 0.52 -0.48 -5.00 118.95 111.93 2nqb s ARG 516 Ca 0.40 -2.00 0.00 0.00 -0.52 0.00 0.00 55.73 53.60 2nqb s ARG 516 Cb -0.18 -1.53 0.00 0.00 0.52 0.00 0.00 34.95 33.77 2nqb s ARG 516 CO 0.49 0.00 0.42 1.33 0.02 0.00 0.00 175.30 177.56 2nqb n VAL 517 N -0.85 0.12 -4.04 3.52 0.24 -1.26 -3.29 118.33 112.76 2nqb n VAL 517 Ca -0.05 -0.39 -0.35 0.00 -2.04 0.00 0.00 64.34 61.52 2nqb n VAL 517 Cb 0.66 1.22 -0.14 0.00 -1.47 0.00 0.00 33.84 34.11 2nqb n VAL 517 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2nqb s THR 518 N -0.12 3.38 0.29 3.34 2.01 -1.26 -5.03 115.64 118.25 2nqb s THR 518 Ca 0.00 -0.50 -0.28 0.00 0.31 0.00 0.00 61.69 61.22 2nqb s THR 518 Cb 0.00 -2.52 -0.09 0.00 0.01 0.00 0.00 72.50 69.89 2nqb s THR 518 CO 0.00 0.44 0.99 0.27 -0.69 0.00 0.00 174.62 175.63 2nqb s ILE 519 N 1.26 3.92 0.30 1.82 -4.36 -1.26 -4.89 121.20 117.99 2nqb s ILE 519 Ca 0.03 1.80 0.03 0.00 -0.26 0.00 0.00 60.65 62.25 2nqb s ILE 519 Cb -0.14 -4.10 -0.06 0.00 1.25 0.00 0.00 42.46 39.41 2nqb s ILE 519 CO -0.02 0.33 0.06 -0.04 0.24 0.00 0.00 174.94 175.52 2nqb s MET 520 N -1.58 1.56 0.29 0.37 -1.94 -1.26 -5.02 119.30 111.72 2nqb s MET 520 Ca 0.46 -1.85 0.02 0.00 -1.71 0.00 0.00 55.69 52.61 2nqb s MET 520 Cb -0.25 -0.69 0.59 0.00 2.01 0.00 0.00 34.83 36.48 2nqb s MET 520 CO 0.32 -0.20 1.85 -1.35 -0.01 0.00 0.00 175.02 175.63 2nqb h PRO 521 N 2.22 0.94 0.00 2.03 0.11 -2.00 0.59 132.00 135.89 2nqb h PRO 521 Ca -0.40 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 2nqb h PRO 521 Cb 1.24 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 2nqb h PRO 521 CO 0.67 0.62 -0.03 1.57 -0.21 0.00 0.00 178.00 180.62 2nqb h LYS 522 N 0.96 0.00 -0.00 1.05 2.10 -1.98 -0.26 116.57 118.44 2nqb h LYS 522 Ca 0.48 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.97 2nqb h LYS 522 Cb 0.48 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.82 2nqb h LYS 522 CO -0.24 0.03 -0.63 -0.44 -2.00 0.00 0.00 179.45 176.17 2nqb h ASP 523 N 0.00 0.56 -0.80 7.07 3.32 -1.24 -1.79 116.42 123.55 2nqb h ASP 523 Ca -0.00 -0.76 -0.02 0.00 0.02 0.00 0.00 57.03 56.27 2nqb h ASP 523 Cb 0.20 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 2nqb h ASP 523 CO 0.00 1.24 0.43 0.40 -1.72 0.00 0.00 179.24 179.60 2nqb h ILE 524 N -0.07 1.24 -0.38 0.35 2.04 -1.09 -1.74 117.51 117.86 2nqb h ILE 524 Ca -0.08 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 2nqb h ILE 524 Cb 1.34 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 2nqb h ILE 524 CO 0.12 0.27 0.10 1.56 0.00 0.00 0.00 178.15 180.21 2nqb h GLN 525 N 1.11 0.59 0.31 2.37 4.20 -1.10 -0.86 115.11 121.74 2nqb h GLN 525 Ca 0.28 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 2nqb h GLN 525 Cb 0.04 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 2nqb h GLN 525 CO -0.04 0.62 -0.17 1.25 -0.67 0.00 0.00 178.83 179.81 2nqb h LEU 526 N 0.46 -0.42 -0.66 1.46 5.85 -1.07 0.49 115.31 121.42 2nqb h LEU 526 Ca 0.12 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.96 2nqb h LEU 526 Cb 0.28 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.36 2nqb h LEU 526 CO -0.00 -0.29 0.29 0.00 -0.34 0.00 0.00 178.44 178.10 2nqb h ALA 527 N 0.22 0.88 -0.53 1.25 0.00 -1.22 0.15 119.26 120.01 2nqb h ALA 527 Ca -0.04 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2nqb h ALA 527 Cb 0.37 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2nqb h ALA 527 CO 0.05 -0.13 -0.13 0.00 0.00 0.00 0.00 179.25 179.04 2nqb h ARG 528 N 0.49 1.03 -0.24 0.00 3.08 -0.96 -0.34 114.38 117.45 2nqb h ARG 528 Ca 0.33 -0.39 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2nqb h ARG 528 Cb 0.39 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 2nqb h ARG 528 CO -0.29 1.08 0.14 -0.09 -1.07 0.00 0.00 179.97 179.74 2nqb h ARG 529 N 0.91 0.33 -0.00 0.04 9.65 -0.17 -0.69 114.38 124.45 2nqb h ARG 529 Ca 0.14 -0.03 -0.08 0.00 -1.10 0.00 0.00 59.98 58.90 2nqb h ARG 529 Cb 0.70 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.20 2nqb h ARG 529 CO 0.05 0.27 -0.39 0.82 2.80 0.00 0.00 179.97 183.52 2nqb h ILE 530 N 0.29 1.28 0.00 1.20 2.04 -0.84 -1.37 117.51 120.11 2nqb h ILE 530 Ca 0.08 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.59 2nqb h ILE 530 Cb 0.04 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 2nqb h ILE 530 CO -0.02 0.39 0.00 0.03 0.00 0.00 0.00 178.15 178.55 2nqb h ARG 531 N 0.00 0.00 0.00 2.37 3.08 -0.68 -3.46 114.38 115.69 2nqb h ARG 531 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2nqb h ARG 531 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 2nqb h ARG 531 CO 0.05 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.36 2nqb n GLY 532 N 0.21 0.66 0.11 0.04 0.00 -0.51 -4.93 105.19 100.77 2nqb n GLY 532 Ca 0.02 -0.43 0.07 0.00 0.00 0.00 0.00 46.02 45.68 2nqb n GLY 532 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2nqb h GLU 533 N 0.77 0.00 0.00 1.61 5.08 -1.36 -3.38 114.58 117.30 2nqb h GLU 533 Ca 0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.95 2nqb h GLU 533 Cb 0.00 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 2nqb h GLU 533 CO 0.00 0.13 -2.45 -2.13 -1.00 0.00 0.00 179.01 173.56 2nqb n ARG 534 N -2.78 0.59 0.00 2.33 0.63 -1.04 -4.97 116.66 111.42 2nqb n ARG 534 Ca -0.04 0.19 0.00 0.00 -0.92 0.00 0.00 57.85 57.08 2nqb n ARG 534 Cb 0.67 -1.47 0.00 0.00 0.45 0.00 0.00 32.46 32.11 2nqb n ARG 534 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12