#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3b n PRO 438 N 0.00 1.21 -2.97 1.64 -0.02 -1.26 -4.92 135.00 128.68 1p3b n PRO 438 Ca 0.00 0.44 -0.41 0.00 -2.02 0.00 0.00 63.50 61.51 1p3b n PRO 438 Cb 0.00 -2.14 -0.05 0.00 -0.02 0.00 0.00 33.50 31.30 1p3b n PRO 438 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1p3b s HIS 439 N 3.59 3.41 -0.01 6.00 2.46 -1.26 -5.05 115.29 124.43 1p3b s HIS 439 Ca 0.98 1.15 0.06 0.00 0.47 0.00 0.00 55.06 57.72 1p3b s HIS 439 Cb -1.05 -2.94 -0.01 0.00 -0.13 0.00 0.00 32.58 28.45 1p3b s HIS 439 CO 0.65 -0.21 -0.18 0.50 -2.47 0.00 0.00 174.74 173.03 1p3b s ARG 440 N 2.03 1.50 0.04 2.88 3.52 -1.26 -5.13 118.95 122.53 1p3b s ARG 440 Ca 0.35 -0.66 -0.14 0.00 -0.13 0.00 0.00 55.73 55.15 1p3b s ARG 440 Cb -0.16 -1.45 -0.06 0.00 -1.56 0.00 0.00 34.95 31.72 1p3b s ARG 440 CO 0.12 0.40 0.44 0.71 -0.81 0.00 0.00 175.30 176.15 1p3b s TYR 441 N -0.43 3.70 0.56 5.12 1.51 -1.26 -5.07 117.35 121.47 1p3b s TYR 441 Ca 0.07 0.99 -0.17 0.00 -1.01 0.00 0.00 57.07 56.96 1p3b s TYR 441 Cb -0.07 -2.29 -0.06 0.00 -0.11 0.00 0.00 41.96 39.43 1p3b s TYR 441 CO -0.01 0.60 1.03 1.03 -1.11 0.00 0.00 175.55 177.09 1p3b s ARG 442 N -1.32 3.57 0.12 -0.62 0.52 -1.26 -4.95 118.95 115.01 1p3b s ARG 442 Ca 0.27 1.14 -0.35 0.00 -0.52 0.00 0.00 55.73 56.27 1p3b s ARG 442 Cb -0.16 -2.07 -0.16 0.00 0.52 0.00 0.00 34.95 33.07 1p3b s ARG 442 CO 0.15 -0.60 1.26 -2.30 0.02 0.00 0.00 175.30 173.84 1p3b n PRO 443 N -1.76 1.11 0.00 3.54 -0.02 -1.26 -1.82 135.00 134.79 1p3b n PRO 443 Ca 0.08 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1p3b n PRO 443 Cb 0.53 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1p3b n PRO 443 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p3b n GLY 444 N 2.31 3.01 0.30 -1.23 0.00 -1.26 -4.86 105.19 103.46 1p3b n GLY 444 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 1p3b n GLY 444 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1p3b h THR 445 N 0.00 1.26 0.02 2.61 2.02 -1.73 0.10 112.91 117.19 1p3b h THR 445 Ca 0.00 -1.12 -0.27 0.00 0.77 0.00 0.00 66.41 65.79 1p3b h THR 445 Cb 0.00 0.79 0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1p3b h THR 445 CO 0.00 0.41 -1.07 0.58 0.37 0.00 0.00 175.52 175.81 1p3b h VAL 446 N 0.94 1.29 0.37 3.16 2.07 -1.89 -2.98 116.25 119.21 1p3b h VAL 446 Ca 0.17 -2.30 -0.00 0.00 0.82 0.00 0.00 66.70 65.39 1p3b h VAL 446 Cb 0.53 2.43 -0.03 0.00 -1.52 0.00 0.00 31.29 32.71 1p3b h VAL 446 CO 0.03 0.71 -0.45 0.00 0.02 0.00 0.00 177.57 177.87 1p3b h ALA 447 N 0.42 -0.96 -1.01 1.67 0.00 -1.85 0.22 119.26 117.75 1p3b h ALA 447 Ca -0.14 -0.14 0.23 0.00 0.00 0.00 0.00 54.91 54.86 1p3b h ALA 447 Cb 1.73 0.68 -0.12 0.00 0.00 0.00 0.00 17.79 20.08 1p3b h ALA 447 CO 0.21 -1.09 0.61 -0.07 0.00 0.00 0.00 179.25 178.91 1p3b h LEU 448 N -0.86 0.69 -0.29 0.00 4.07 -0.89 0.64 115.31 118.68 1p3b h LEU 448 Ca -0.03 0.12 -0.01 0.00 0.08 0.00 0.00 57.88 58.04 1p3b h LEU 448 Cb 0.78 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.51 1p3b h LEU 448 CO -0.11 0.16 0.16 -0.09 -1.08 0.00 0.00 178.44 177.48 1p3b h ARG 449 N 0.63 0.40 -0.29 1.13 2.43 -1.13 0.14 114.38 117.69 1p3b h ARG 449 Ca 0.62 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.75 1p3b h ARG 449 Cb 1.13 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 1p3b h ARG 449 CO -0.43 0.35 0.18 0.93 -1.51 0.00 0.00 179.97 179.49 1p3b h GLU 450 N 0.35 0.36 -0.39 0.20 5.08 0.33 0.39 114.58 120.89 1p3b h GLU 450 Ca 0.10 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.51 1p3b h GLU 450 Cb 0.06 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.17 1p3b h GLU 450 CO -0.02 0.24 0.02 0.82 -1.00 0.00 0.00 179.01 179.07 1p3b h ILE 451 N 0.37 0.73 0.14 3.13 2.04 0.34 0.11 117.51 124.37 1p3b h ILE 451 Ca 0.11 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 1p3b h ILE 451 Cb -0.03 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1p3b h ILE 451 CO -0.04 0.02 -0.07 0.03 0.00 0.00 0.00 178.15 178.10 1p3b h ARG 452 N 0.13 -0.18 -0.02 2.37 3.08 0.01 -1.67 114.38 118.09 1p3b h ARG 452 Ca 0.19 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.27 1p3b h ARG 452 Cb 0.26 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 1p3b h ARG 452 CO -0.30 -0.10 -0.26 -0.09 -1.07 0.00 0.00 179.97 178.14 1p3b h ARG 453 N -0.22 -0.30 0.00 0.04 2.43 0.69 -2.75 114.38 114.28 1p3b h ARG 453 Ca -0.02 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1p3b h ARG 453 Cb 0.17 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1p3b h ARG 453 CO 0.03 -0.20 -0.08 1.88 -1.51 0.00 0.00 179.97 180.09 1p3b h TYR 454 N -0.31 0.00 0.00 2.20 -1.99 -0.80 -0.15 116.97 115.91 1p3b h TYR 454 Ca 0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1p3b h TYR 454 Cb 0.34 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.07 1p3b h TYR 454 CO -0.46 0.08 0.00 1.96 -0.00 0.00 0.00 178.16 179.73 1p3b h GLN 455 N 0.00 0.00 0.10 4.88 4.20 -1.13 -3.10 115.11 120.06 1p3b h GLN 455 Ca -0.00 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.39 1p3b h GLN 455 Cb 0.17 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1p3b h GLN 455 CO 0.01 0.00 -1.64 0.87 -0.67 0.00 0.00 178.83 177.40 1p3b h LYS 456 N 0.00 0.21 0.00 1.46 1.57 -0.75 -3.47 116.57 115.60 1p3b h LYS 456 Ca 0.00 -0.37 -0.02 0.00 -1.87 0.00 0.00 60.65 58.40 1p3b h LYS 456 Cb 0.64 0.14 0.01 0.00 0.08 0.00 0.00 32.23 33.10 1p3b h LYS 456 CO 0.00 1.04 0.01 -1.13 -0.57 0.00 0.00 179.45 178.80 1p3b n SER 457 N -3.40 0.02 0.00 0.86 3.41 -0.94 -5.05 113.62 108.53 1p3b n SER 457 Ca -0.19 -1.03 0.00 0.00 -0.26 0.00 0.00 58.87 57.39 1p3b n SER 457 Cb 1.05 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.96 1p3b n SER 457 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1p3b n THR 458 N -1.86 0.00 -1.62 6.66 -2.24 -1.26 -4.97 114.28 108.99 1p3b n THR 458 Ca 0.01 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.39 1p3b n THR 458 Cb 0.02 1.08 0.03 0.00 -2.10 0.00 0.00 70.33 69.36 1p3b n THR 458 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1p3b n GLU 459 N 0.00 1.24 -1.85 -0.78 -0.00 -1.26 -4.90 120.64 113.09 1p3b n GLU 459 Ca 0.00 0.45 -0.37 0.00 -0.00 0.00 0.00 57.16 57.25 1p3b n GLU 459 Cb 0.22 -2.13 0.05 0.00 -0.00 0.00 0.00 31.44 29.59 1p3b n GLU 459 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1p3b s LEU 460 N -1.21 3.63 0.00 -1.84 1.43 -1.26 -4.94 118.68 114.49 1p3b s LEU 460 Ca 0.68 2.55 0.15 0.00 -1.03 0.00 0.00 54.13 56.47 1p3b s LEU 460 Cb -0.49 -4.58 0.02 0.00 0.03 0.00 0.00 46.19 41.16 1p3b s LEU 460 CO 0.53 -1.82 0.83 0.18 0.23 0.00 0.00 176.35 176.30 1p3b n LEU 461 N -1.71 1.64 -4.78 1.79 4.77 -1.26 -4.95 117.00 112.49 1p3b n LEU 461 Ca 0.15 -0.80 -0.30 0.00 -0.03 0.00 0.00 56.01 55.02 1p3b n LEU 461 Cb 0.48 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 1p3b n LEU 461 CO 0.46 0.31 -0.26 -0.63 -1.33 0.00 0.00 177.39 175.95 1p3b s ILE 462 N -1.68 4.56 -0.07 -0.08 1.01 -1.26 -5.07 121.20 118.62 1p3b s ILE 462 Ca 0.13 -0.75 -0.30 0.00 0.00 0.00 0.00 60.65 59.73 1p3b s ILE 462 Cb 0.12 -3.20 -0.02 0.00 0.01 0.00 0.00 42.46 39.36 1p3b s ILE 462 CO 0.34 0.13 1.11 -0.13 0.00 0.00 0.00 174.94 176.38 1p3b s ARG 463 N -2.39 4.40 0.00 2.79 0.52 -1.26 -4.97 118.95 118.03 1p3b s ARG 463 Ca 0.29 1.55 -0.00 0.00 -0.52 0.00 0.00 55.73 57.05 1p3b s ARG 463 Cb -0.12 -3.54 -0.00 0.00 0.52 0.00 0.00 34.95 31.81 1p3b s ARG 463 CO 0.22 -0.36 0.89 1.63 0.02 0.00 0.00 175.30 177.70 1p3b n LYS 464 N 4.99 -0.00 -0.11 3.54 4.76 -1.26 -1.61 118.16 128.47 1p3b n LYS 464 Ca 0.10 0.89 -0.06 0.00 -2.87 0.00 0.00 58.31 56.37 1p3b n LYS 464 Cb 0.47 -1.34 0.01 0.00 -1.84 0.00 0.00 35.03 32.33 1p3b n LYS 464 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1p3b h LEU 465 N 0.00 -0.65 -0.49 -0.35 5.85 -1.98 0.39 115.31 118.07 1p3b h LEU 465 Ca 0.00 0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.96 1p3b h LEU 465 Cb 0.00 0.35 -0.07 0.00 0.37 0.00 0.00 40.66 41.31 1p3b h LEU 465 CO -0.00 -0.22 0.08 -0.65 -0.34 0.00 0.00 178.44 177.30 1p3b h PRO 466 N -0.12 0.20 0.52 5.25 0.11 -1.89 -0.00 132.00 136.06 1p3b h PRO 466 Ca 0.19 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.27 1p3b h PRO 466 Cb 0.42 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 1p3b h PRO 466 CO -0.46 0.13 -0.46 0.35 -0.21 0.00 0.00 178.00 177.35 1p3b h PHE 467 N 0.21 -1.27 -1.04 0.65 3.57 0.05 -1.19 116.94 117.92 1p3b h PHE 467 Ca 0.25 0.00 0.28 0.00 3.53 0.00 0.00 57.97 62.03 1p3b h PHE 467 Cb 0.34 0.48 -0.12 0.00 2.79 0.00 0.00 35.95 39.44 1p3b h PHE 467 CO -0.24 -0.63 0.63 0.37 -2.23 0.00 0.00 178.31 176.21 1p3b h GLN 468 N -0.97 0.44 0.07 1.11 4.15 -0.05 0.52 115.11 120.38 1p3b h GLN 468 Ca -0.07 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1p3b h GLN 468 Cb 0.82 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 1p3b h GLN 468 CO -0.02 0.29 -0.07 0.00 -1.93 0.00 0.00 178.83 177.10 1p3b h ARG 469 N 0.45 -0.15 -0.48 1.69 3.08 -0.14 -2.27 114.38 116.56 1p3b h ARG 469 Ca 0.66 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.75 1p3b h ARG 469 Cb 1.47 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 31.52 1p3b h ARG 469 CO -0.44 -0.10 0.25 1.25 -1.07 0.00 0.00 179.97 179.86 1p3b h LEU 470 N -0.16 0.38 0.64 3.04 5.85 0.12 -2.08 115.31 123.09 1p3b h LEU 470 Ca 0.01 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1p3b h LEU 470 Cb 0.16 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1p3b h LEU 470 CO -0.02 0.26 -0.48 0.58 -0.34 0.00 0.00 178.44 178.44 1p3b h VAL 471 N 0.50 0.05 -0.84 1.05 2.07 -1.09 -1.86 116.25 116.13 1p3b h VAL 471 Ca 0.20 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.90 1p3b h VAL 471 Cb 0.09 0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 29.85 1p3b h VAL 471 CO -0.13 0.00 0.55 0.03 0.02 0.00 0.00 177.57 178.05 1p3b h ARG 472 N -1.08 0.43 0.24 1.57 3.08 -1.34 0.15 114.38 117.42 1p3b h ARG 472 Ca -0.08 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1p3b h ARG 472 Cb 0.90 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1p3b h ARG 472 CO 0.02 0.28 -0.11 1.49 -1.07 0.00 0.00 179.97 180.58 1p3b h GLU 473 N 0.44 -0.31 0.02 0.04 4.81 -1.06 0.18 114.58 118.71 1p3b h GLU 473 Ca 0.42 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.70 1p3b h GLU 473 Cb 0.98 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.40 1p3b h GLU 473 CO -0.15 0.00 -0.18 0.82 -0.73 0.00 0.00 179.01 178.77 1p3b h ILE 474 N -0.63 0.56 -0.90 2.32 2.04 -0.50 -2.07 117.51 118.33 1p3b h ILE 474 Ca -0.03 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.89 1p3b h ILE 474 Cb 0.45 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 1p3b h ILE 474 CO 0.05 0.00 0.59 0.00 0.00 0.00 0.00 178.15 178.79 1p3b h ALA 475 N 0.59 1.53 0.00 1.87 0.00 -0.71 0.00 119.26 122.54 1p3b h ALA 475 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1p3b h ALA 475 Cb 0.37 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1p3b h ALA 475 CO -0.16 0.34 0.08 0.37 0.00 0.00 0.00 179.25 179.87 1p3b h GLN 476 N 1.01 0.00 0.00 0.00 5.75 0.10 0.53 115.11 122.50 1p3b h GLN 476 Ca 0.39 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.72 1p3b h GLN 476 Cb 0.22 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.74 1p3b h GLN 476 CO -0.15 0.00 -0.94 -0.44 -2.65 0.00 0.00 178.83 174.65 1p3b h ASP 477 N 0.00 0.00 0.36 -0.69 3.32 -0.89 -3.36 116.42 115.16 1p3b h ASP 477 Ca 0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 1p3b h ASP 477 Cb 0.16 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 1p3b h ASP 477 CO 0.00 0.74 -1.75 -0.26 -1.72 0.00 0.00 179.24 176.25 1p3b h PHE 478 N 0.00 0.31 -2.10 4.55 0.05 -0.05 -3.47 116.94 116.23 1p3b h PHE 478 Ca -0.06 -0.23 -0.06 0.00 3.82 0.00 0.00 57.97 61.45 1p3b h PHE 478 Cb 1.62 -0.01 -0.21 0.00 2.00 0.00 0.00 35.95 39.35 1p3b h PHE 478 CO 0.00 1.40 0.10 0.21 -0.18 0.00 0.00 178.31 179.84 1p3b s LYS 479 N -2.59 0.87 0.60 1.51 2.20 -0.58 -5.15 119.74 116.60 1p3b s LYS 479 Ca -0.12 0.69 -0.05 0.00 -0.36 0.00 0.00 55.97 56.13 1p3b s LYS 479 Cb 0.07 0.42 0.02 0.00 -1.51 0.00 0.00 37.83 36.83 1p3b s LYS 479 CO 0.81 -0.17 0.90 0.95 -0.36 0.00 0.00 175.35 177.48 1p3b s THR 480 N -0.17 3.37 -1.68 3.43 -4.23 -1.26 -4.06 115.64 111.04 1p3b s THR 480 Ca -0.04 -0.12 -0.12 0.00 -1.18 0.00 0.00 61.69 60.23 1p3b s THR 480 Cb -0.03 -3.35 0.12 0.00 1.34 0.00 0.00 72.50 70.58 1p3b s THR 480 CO 0.04 -0.34 0.42 -0.67 -0.54 0.00 0.00 174.62 173.53 1p3b n ASP 481 N -2.59 -1.04 -4.66 3.99 2.03 -1.26 -4.93 116.55 108.08 1p3b n ASP 481 Ca 0.05 -1.18 -0.27 0.00 0.52 0.00 0.00 54.79 53.91 1p3b n ASP 481 Cb 0.58 -2.03 0.11 0.00 -0.72 0.00 0.00 41.12 39.06 1p3b n ASP 481 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1p3b s LEU 482 N -7.26 2.77 0.03 -2.67 1.43 -1.26 -5.11 118.68 106.61 1p3b s LEU 482 Ca 0.44 0.31 -0.08 0.00 -1.03 0.00 0.00 54.13 53.77 1p3b s LEU 482 Cb -0.25 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.25 1p3b s LEU 482 CO 0.98 -2.00 0.16 -0.13 0.23 0.00 0.00 176.35 175.59 1p3b s ARG 483 N -5.45 0.62 -0.04 1.70 0.52 -1.26 -5.15 118.95 109.89 1p3b s ARG 483 Ca 0.65 -0.60 0.02 0.00 -0.52 0.00 0.00 55.73 55.28 1p3b s ARG 483 Cb -0.08 0.26 0.01 0.00 0.52 0.00 0.00 34.95 35.66 1p3b s ARG 483 CO 0.47 -0.17 -0.08 -0.06 0.02 0.00 0.00 175.30 175.49 1p3b s PHE 484 N -2.29 0.98 0.53 -0.53 0.40 -1.26 -5.12 117.98 110.69 1p3b s PHE 484 Ca -0.07 -0.29 -0.21 0.00 -0.60 0.00 0.00 56.93 55.75 1p3b s PHE 484 Cb -0.03 -0.76 -0.05 0.00 0.51 0.00 0.00 43.02 42.69 1p3b s PHE 484 CO -0.03 -0.18 1.24 -0.65 0.70 0.00 0.00 175.22 176.31 1p3b s GLN 485 N 0.58 3.33 0.26 0.44 -0.21 -1.26 -4.86 119.66 117.93 1p3b s GLN 485 Ca -0.09 1.95 -0.02 0.00 0.02 0.00 0.00 55.36 57.21 1p3b s GLN 485 Cb -0.13 -2.22 0.50 0.00 1.00 0.00 0.00 33.01 32.15 1p3b s GLN 485 CO 0.01 -0.95 1.76 1.03 -2.12 0.00 0.00 175.29 175.02 1p3b h SER 486 N 1.53 0.48 -0.02 5.90 0.87 -2.01 -0.95 113.55 119.35 1p3b h SER 486 Ca -0.50 0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.15 1p3b h SER 486 Cb 1.28 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1p3b h SER 486 CO 0.58 0.21 0.02 0.77 -0.53 0.00 0.00 176.83 177.87 1p3b h SER 487 N 0.60 0.00 -0.16 6.23 4.64 -1.98 -1.46 113.55 121.41 1p3b h SER 487 Ca 0.44 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.55 1p3b h SER 487 Cb 0.61 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.71 1p3b h SER 487 CO -0.36 0.00 -0.73 0.00 -0.87 0.00 0.00 176.83 174.88 1p3b h ALA 488 N 1.99 0.36 -0.11 5.18 0.00 -1.52 0.20 119.26 125.35 1p3b h ALA 488 Ca 0.01 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 1p3b h ALA 488 Cb 0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1p3b h ALA 488 CO -0.00 0.69 -0.02 0.28 0.00 0.00 0.00 179.25 180.19 1p3b h VAL 489 N 0.56 1.29 -0.58 0.00 2.07 -1.34 -2.01 116.25 116.24 1p3b h VAL 489 Ca -0.04 -0.94 0.07 0.00 0.82 0.00 0.00 66.70 66.61 1p3b h VAL 489 Cb 1.35 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 32.75 1p3b h VAL 489 CO 0.15 0.27 0.25 0.24 0.02 0.00 0.00 177.57 178.50 1p3b h MET 490 N -0.10 0.45 -0.04 1.57 2.86 -1.23 -0.13 114.93 118.31 1p3b h MET 490 Ca 0.03 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 1p3b h MET 490 Cb 0.43 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.94 1p3b h MET 490 CO 0.01 0.30 -0.33 0.00 1.06 0.00 0.00 176.91 177.95 1p3b h ALA 491 N 1.36 -0.46 -0.02 6.32 0.00 -0.42 -0.72 119.26 125.33 1p3b h ALA 491 Ca 0.28 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1p3b h ALA 491 Cb 0.28 0.59 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 1p3b h ALA 491 CO -0.25 -0.84 -0.46 -0.07 0.00 0.00 0.00 179.25 177.64 1p3b h LEU 492 N -0.46 -1.41 -0.46 0.00 3.38 -0.51 -0.13 115.31 115.72 1p3b h LEU 492 Ca 0.07 0.17 0.08 0.00 0.09 0.00 0.00 57.88 58.29 1p3b h LEU 492 Cb 0.56 0.55 -0.07 0.00 0.09 0.00 0.00 40.66 41.80 1p3b h LEU 492 CO -0.30 -0.48 0.06 -0.61 0.09 0.00 0.00 178.44 177.20 1p3b h GLN 493 N -0.60 0.18 -0.84 1.13 4.15 -0.78 0.34 115.11 118.68 1p3b h GLN 493 Ca 0.04 -0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.59 1p3b h GLN 493 Cb 0.68 -0.04 -0.09 0.00 0.21 0.00 0.00 27.48 28.24 1p3b h GLN 493 CO -0.34 0.12 0.43 0.93 -1.93 0.00 0.00 178.83 178.03 1p3b h GLU 494 N 0.18 0.60 -0.17 1.69 4.39 -0.56 -0.87 114.58 119.83 1p3b h GLU 494 Ca 0.23 -0.04 -0.20 0.00 0.34 0.00 0.00 59.36 59.69 1p3b h GLU 494 Cb 0.31 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1p3b h GLU 494 CO -0.33 0.40 -0.66 0.00 -1.16 0.00 0.00 179.01 177.26 1p3b h ALA 495 N 1.55 0.31 -0.22 3.43 0.00 0.81 -2.93 119.26 122.22 1p3b h ALA 495 Ca 0.46 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1p3b h ALA 495 Cb 0.64 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1p3b h ALA 495 CO -0.36 0.61 0.03 0.77 0.00 0.00 0.00 179.25 180.31 1p3b h SER 496 N 0.48 0.35 -0.04 0.00 0.02 0.16 -1.57 113.55 112.95 1p3b h SER 496 Ca -0.03 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1p3b h SER 496 Cb 1.29 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.73 1p3b h SER 496 CO 0.14 0.53 0.02 -0.33 -1.14 0.00 0.00 176.83 176.05 1p3b h GLU 497 N 0.17 0.05 -0.98 3.45 5.08 -1.28 0.50 114.58 121.56 1p3b h GLU 497 Ca 0.07 -0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.54 1p3b h GLU 497 Cb 0.32 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.48 1p3b h GLU 497 CO 0.00 0.03 0.62 0.00 -1.00 0.00 0.00 179.01 178.67 1p3b h ALA 498 N 1.02 1.55 0.79 3.43 0.00 -1.48 0.35 119.26 124.91 1p3b h ALA 498 Ca 0.02 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1p3b h ALA 498 Cb -0.00 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.59 1p3b h ALA 498 CO -0.01 0.21 -0.38 -0.92 0.00 0.00 0.00 179.25 178.15 1p3b h TYR 499 N 0.97 -0.98 -0.82 0.00 3.20 -0.20 -2.26 116.97 116.88 1p3b h TYR 499 Ca 0.48 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.39 1p3b h TYR 499 Cb 0.48 0.32 -0.06 0.00 1.54 0.00 0.00 36.73 39.01 1p3b h TYR 499 CO -0.00 -0.60 0.50 -0.07 -1.64 0.00 0.00 178.16 176.34 1p3b h LEU 500 N -1.25 0.76 -0.50 2.82 3.38 0.57 -0.31 115.31 120.78 1p3b h LEU 500 Ca -0.11 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1p3b h LEU 500 Cb 0.82 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1p3b h LEU 500 CO 0.18 0.48 0.32 0.58 0.09 0.00 0.00 178.44 180.09 1p3b h VAL 501 N 0.89 1.11 -0.66 1.22 2.07 -0.33 0.13 116.25 120.68 1p3b h VAL 501 Ca 0.37 -0.23 -0.08 0.00 0.82 0.00 0.00 66.70 67.58 1p3b h VAL 501 Cb 0.21 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1p3b h VAL 501 CO -0.19 0.12 0.10 0.00 0.02 0.00 0.00 177.57 177.62 1p3b h ALA 502 N 1.20 0.88 -0.09 1.67 0.00 -0.95 -1.45 119.26 120.51 1p3b h ALA 502 Ca 0.19 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1p3b h ALA 502 Cb -0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1p3b h ALA 502 CO -0.05 0.66 -0.15 1.25 0.00 0.00 0.00 179.25 180.95 1p3b h LEU 503 N 1.02 0.13 -0.71 0.00 5.85 -0.27 0.33 115.31 121.66 1p3b h LEU 503 Ca 0.20 -0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.76 1p3b h LEU 503 Cb 0.45 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1p3b h LEU 503 CO 0.01 0.30 -0.55 -0.26 -0.34 0.00 0.00 178.44 177.60 1p3b h PHE 504 N 0.13 0.32 0.17 1.25 0.05 0.02 -0.78 116.94 118.11 1p3b h PHE 504 Ca 0.03 -0.11 -0.00 0.00 3.82 0.00 0.00 57.97 61.70 1p3b h PHE 504 Cb 0.35 -0.06 -0.01 0.00 2.00 0.00 0.00 35.95 38.24 1p3b h PHE 504 CO 0.00 0.75 -0.12 0.93 -0.18 0.00 0.00 178.31 179.70 1p3b h GLU 505 N 0.20 -0.27 -0.33 1.51 5.08 0.06 0.21 114.58 121.04 1p3b h GLU 505 Ca 0.00 0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1p3b h GLU 505 Cb 1.04 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1p3b h GLU 505 CO 0.09 -0.18 -0.12 -0.44 -1.00 0.00 0.00 179.01 177.35 1p3b h ASP 506 N -0.28 0.55 0.03 1.42 3.32 -1.29 -2.24 116.42 117.92 1p3b h ASP 506 Ca -0.01 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 1p3b h ASP 506 Cb 0.25 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1p3b h ASP 506 CO 0.00 0.70 -0.01 0.74 -1.72 0.00 0.00 179.24 178.95 1p3b h THR 507 N 0.52 1.03 -0.22 0.35 2.02 -0.65 -1.01 112.91 114.94 1p3b h THR 507 Ca 0.09 -0.17 0.06 0.00 0.77 0.00 0.00 66.41 67.16 1p3b h THR 507 Cb 0.52 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1p3b h THR 507 CO 0.03 0.04 0.16 -1.13 0.37 0.00 0.00 175.52 174.99 1p3b h ASN 508 N -0.11 0.03 0.04 4.18 -1.24 -0.38 -0.21 115.58 117.90 1p3b h ASN 508 Ca -0.00 -0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.80 1p3b h ASN 508 Cb 0.10 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.15 1p3b h ASN 508 CO 0.01 0.02 -0.76 -0.07 -1.29 0.00 0.00 177.43 175.34 1p3b h LEU 509 N 0.04 0.73 -1.00 0.34 3.38 -0.76 -2.39 115.31 115.63 1p3b h LEU 509 Ca 0.10 -0.48 -0.10 0.00 0.09 0.00 0.00 57.88 57.50 1p3b h LEU 509 Cb 0.37 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1p3b h LEU 509 CO -0.01 1.25 -0.39 0.00 0.09 0.00 0.00 178.44 179.38 1p3b h ALA 511 N 1.42 -0.08 0.00 0.00 0.00 -1.16 -2.59 119.26 116.85 1p3b h ALA 511 Ca 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1p3b h ALA 511 Cb 0.78 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1p3b h ALA 511 CO 0.06 -0.40 -0.08 0.82 0.00 0.00 0.00 179.25 179.65 1p3b h ILE 512 N -0.38 0.99 -0.16 0.00 2.04 -1.25 0.15 117.51 118.90 1p3b h ILE 512 Ca -0.01 -0.28 -0.08 0.00 1.00 0.00 0.00 64.86 65.50 1p3b h ILE 512 Cb 0.34 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1p3b h ILE 512 CO 0.01 0.08 -0.24 -0.74 0.00 0.00 0.00 178.15 177.27 1p3b h HIS 513 N 0.00 0.32 -0.27 1.37 2.76 -0.85 -0.97 115.15 117.51 1p3b h HIS 513 Ca -0.00 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 1p3b h HIS 513 Cb 0.15 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.02 1p3b h HIS 513 CO 0.00 0.51 0.00 0.00 -1.30 0.00 0.00 177.93 177.14 1p3b n ALA 514 N -2.48 3.09 -2.56 5.26 0.00 0.41 -4.87 120.51 119.35 1p3b n ALA 514 Ca -0.01 -0.86 -0.16 0.00 0.00 0.00 0.00 53.44 52.41 1p3b n ALA 514 Cb 0.36 -1.05 -0.00 0.00 0.00 0.00 0.00 19.45 18.75 1p3b n ALA 514 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1p3b n LYS 515 N 0.31 -2.42 -4.12 0.00 5.02 -0.37 -4.96 118.16 111.61 1p3b n LYS 515 Ca 0.13 0.72 -0.25 0.00 -2.02 0.00 0.00 58.31 56.89 1p3b n LYS 515 Cb 0.66 -5.37 -0.07 0.00 -0.02 0.00 0.00 35.03 30.22 1p3b n LYS 515 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1p3b s ARG 516 N -5.18 2.23 0.00 1.97 0.52 -0.45 -4.99 118.95 113.05 1p3b s ARG 516 Ca 0.06 -1.84 0.00 0.00 -0.52 0.00 0.00 55.73 53.43 1p3b s ARG 516 Cb -0.03 -1.99 0.00 0.00 0.52 0.00 0.00 34.95 33.45 1p3b s ARG 516 CO 0.08 -0.12 0.69 1.33 0.02 0.00 0.00 175.30 177.30 1p3b n VAL 517 N -1.24 0.41 -4.09 3.52 0.24 -1.26 -3.38 118.33 112.53 1p3b n VAL 517 Ca -0.01 -0.43 -0.33 0.00 -2.04 0.00 0.00 64.34 61.54 1p3b n VAL 517 Cb 0.65 0.83 -0.15 0.00 -1.47 0.00 0.00 33.84 33.69 1p3b n VAL 517 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1p3b s THR 518 N -0.41 2.19 0.31 3.34 2.01 -1.26 -5.05 115.64 116.76 1p3b s THR 518 Ca 0.00 -1.20 -0.29 0.00 0.31 0.00 0.00 61.69 60.51 1p3b s THR 518 Cb 0.00 -2.07 -0.10 0.00 0.01 0.00 0.00 72.50 70.34 1p3b s THR 518 CO 0.00 0.30 1.25 0.27 -0.69 0.00 0.00 174.62 175.75 1p3b s ILE 519 N 1.23 2.96 0.32 1.82 -4.36 -1.26 -4.92 121.20 116.98 1p3b s ILE 519 Ca -0.01 0.95 0.03 0.00 -0.26 0.00 0.00 60.65 61.37 1p3b s ILE 519 Cb -0.16 -3.61 -0.06 0.00 1.25 0.00 0.00 42.46 39.88 1p3b s ILE 519 CO -0.09 0.22 0.07 -0.04 0.24 0.00 0.00 174.94 175.34 1p3b s MET 520 N -1.58 1.63 0.19 0.37 -1.94 -1.26 -5.03 119.30 111.68 1p3b s MET 520 Ca 0.48 -1.91 -0.14 0.00 -1.71 0.00 0.00 55.69 52.42 1p3b s MET 520 Cb -0.37 -0.75 0.19 0.00 2.01 0.00 0.00 34.83 35.90 1p3b s MET 520 CO 0.49 -0.22 1.67 -1.35 -0.01 0.00 0.00 175.02 175.59 1p3b h PRO 521 N 2.14 0.07 -0.88 2.03 0.11 -2.00 -0.78 132.00 132.69 1p3b h PRO 521 Ca -0.40 -0.00 0.19 0.00 0.11 0.00 0.00 66.00 65.90 1p3b h PRO 521 Cb 1.25 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.28 1p3b h PRO 521 CO 0.67 0.05 0.58 1.57 -0.21 0.00 0.00 178.00 180.66 1p3b h LYS 522 N 0.07 0.42 -0.53 1.05 2.10 -1.98 0.11 116.57 117.82 1p3b h LYS 522 Ca 0.26 -0.03 -0.07 0.00 -2.00 0.00 0.00 60.65 58.81 1p3b h LYS 522 Cb 0.40 -0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 31.61 1p3b h LYS 522 CO -0.46 0.28 0.05 -0.44 -2.00 0.00 0.00 179.45 176.88 1p3b h ASP 523 N 0.43 0.87 -0.48 7.07 3.32 -1.49 0.15 116.42 126.29 1p3b h ASP 523 Ca 0.45 -0.28 -0.13 0.00 0.02 0.00 0.00 57.03 57.10 1p3b h ASP 523 Cb 1.08 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 1p3b h ASP 523 CO -0.17 0.93 -0.20 0.40 -1.72 0.00 0.00 179.24 178.48 1p3b h ILE 524 N 0.77 1.27 0.50 0.35 2.04 -0.78 -2.11 117.51 119.55 1p3b h ILE 524 Ca 0.16 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.64 1p3b h ILE 524 Cb 0.45 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 1p3b h ILE 524 CO 0.02 0.47 -0.38 1.56 0.00 0.00 0.00 178.15 179.82 1p3b h GLN 525 N 0.82 -0.83 -0.23 2.37 4.20 -0.50 -0.91 115.11 120.04 1p3b h GLN 525 Ca 0.11 0.06 0.05 0.00 0.06 0.00 0.00 58.65 58.93 1p3b h GLN 525 Cb 0.78 0.19 -0.06 0.00 0.30 0.00 0.00 27.48 28.69 1p3b h GLN 525 CO 0.06 -0.55 -0.12 1.25 -0.67 0.00 0.00 178.83 178.80 1p3b h LEU 526 N -0.86 -0.41 0.11 1.46 5.85 -0.69 0.28 115.31 121.06 1p3b h LEU 526 Ca -0.05 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1p3b h LEU 526 Cb 0.73 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 1p3b h LEU 526 CO 0.01 -0.16 -0.44 0.00 -0.34 0.00 0.00 178.44 177.50 1p3b h ALA 527 N 1.09 -0.80 -0.75 1.25 0.00 -1.25 -0.93 119.26 117.87 1p3b h ALA 527 Ca 0.13 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.07 1p3b h ALA 527 Cb 0.29 0.75 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1p3b h ALA 527 CO -0.30 -1.02 0.49 0.00 0.00 0.00 0.00 179.25 178.43 1p3b h ARG 528 N -0.67 0.58 0.64 0.00 3.08 -0.72 -0.34 114.38 116.96 1p3b h ARG 528 Ca 0.02 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1p3b h ARG 528 Cb 0.70 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.62 1p3b h ARG 528 CO -0.26 0.39 -0.31 -0.09 -1.07 0.00 0.00 179.97 178.63 1p3b h ARG 529 N 0.60 -0.83 -0.03 0.04 2.43 -0.06 -1.52 114.38 115.01 1p3b h ARG 529 Ca 0.35 0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.59 1p3b h ARG 529 Cb 0.56 0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1p3b h ARG 529 CO -0.13 -0.51 0.16 0.82 -1.51 0.00 0.00 179.97 178.80 1p3b h ILE 530 N -1.09 0.08 0.00 1.20 2.04 -0.72 0.51 117.51 119.53 1p3b h ILE 530 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1p3b h ILE 530 Cb 0.70 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1p3b h ILE 530 CO 0.14 0.00 0.00 0.03 0.00 0.00 0.00 178.15 178.32 1p3b h ARG 531 N 0.00 0.00 0.00 2.37 3.08 -0.65 -3.47 114.38 115.71 1p3b h ARG 531 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1p3b h ARG 531 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1p3b h ARG 531 CO -0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1p3b n GLY 532 N 0.93 0.71 0.09 0.04 0.00 0.18 -4.92 105.19 102.21 1p3b n GLY 532 Ca 0.04 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 1p3b n GLY 532 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1p3b n GLU 533 N -2.50 0.65 -1.55 1.61 1.02 -0.61 -4.96 120.64 114.30 1p3b n GLU 533 Ca 0.00 0.20 -0.02 0.00 -0.02 0.00 0.00 57.16 57.33 1p3b n GLU 533 Cb 0.00 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 1p3b n GLU 533 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1p3b n ARG 534 N -2.97 1.34 0.00 3.49 1.74 -1.00 -4.98 116.66 114.28 1p3b n ARG 534 Ca -0.22 -0.23 0.00 0.00 -0.77 0.00 0.00 57.85 56.62 1p3b n ARG 534 Cb 1.08 0.02 0.00 0.00 -1.02 0.00 0.00 32.46 32.54 1p3b n ARG 534 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11