#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3luj s GLN 441 N 0.00 4.53 0.10 -1.58 0.74 -1.26 -5.03 119.66 117.16 3luj s GLN 441 Ca 0.00 1.83 -0.14 0.00 0.05 0.00 0.00 55.36 57.11 3luj s GLN 441 Cb 0.00 -3.24 -0.06 0.00 1.10 0.00 0.00 33.01 30.80 3luj s GLN 441 CO 0.00 -0.02 0.49 0.12 -0.55 0.00 0.00 175.29 175.33 3luj s PHE 442 N -0.22 3.64 -0.21 1.67 2.19 -1.26 -4.89 117.98 118.89 3luj s PHE 442 Ca 0.51 1.00 -0.02 0.00 0.33 0.00 0.00 56.93 58.75 3luj s PHE 442 Cb -0.32 -2.32 0.00 0.00 -1.31 0.00 0.00 43.02 39.08 3luj s PHE 442 CO 0.37 0.50 -0.09 -1.01 1.83 0.00 0.00 175.22 176.81 3luj s HIS 443 N -1.36 2.91 0.41 10.12 3.76 -1.26 -5.11 115.29 124.75 3luj s HIS 443 Ca 0.34 -1.17 0.08 0.00 -0.15 0.00 0.00 55.06 54.15 3luj s HIS 443 Cb -0.15 -2.05 -0.02 0.00 1.11 0.00 0.00 32.58 31.47 3luj s HIS 443 CO 0.18 -0.63 0.40 0.95 -0.85 0.00 0.00 174.74 174.79 3luj s THR 444 N 1.42 2.82 -1.12 1.30 -4.23 -1.26 -4.59 115.64 109.97 3luj s THR 444 Ca 0.05 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.28 3luj s THR 444 Cb -0.14 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.68 3luj s THR 444 CO -0.06 -0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 3luj n GLY 445 N -1.58 1.03 3.96 3.99 0.00 0.60 -5.00 105.19 108.19 3luj n GLY 445 Ca 0.04 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 3luj n GLY 445 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3luj s ILE 446 N -2.42 5.27 -0.10 -0.61 -4.36 -1.06 -5.03 121.20 112.89 3luj s ILE 446 Ca 0.00 -0.83 -0.02 0.00 -0.26 0.00 0.00 60.65 59.53 3luj s ILE 446 Cb 0.00 -3.82 0.04 0.00 1.25 0.00 0.00 42.46 39.93 3luj s ILE 446 CO 0.00 -0.27 0.04 -1.61 0.24 0.00 0.00 174.94 173.34 3luj s GLU 447 N -3.75 0.28 -0.62 0.37 2.02 -1.26 -2.95 118.70 112.79 3luj s GLU 447 Ca 0.35 0.09 -0.17 0.00 0.02 0.00 0.00 54.97 55.26 3luj s GLU 447 Cb -0.10 -1.14 0.14 0.00 0.10 0.00 0.00 34.13 33.13 3luj s GLU 447 CO 0.29 -0.43 0.64 0.42 0.02 0.00 0.00 175.26 176.21 3luj s ILE 448 N 2.05 5.12 -0.19 -1.63 1.09 0.25 -4.85 121.20 123.04 3luj s ILE 448 Ca 0.04 -1.49 0.12 0.00 -1.10 0.00 0.00 60.65 58.21 3luj s ILE 448 Cb -0.14 -4.43 -0.23 0.00 -1.06 0.00 0.00 42.46 36.60 3luj s ILE 448 CO -0.06 -1.02 0.09 0.29 -0.10 0.00 0.00 174.94 174.15 3luj n LYS 449 N 5.48 0.68 -3.95 2.79 5.02 -1.26 -0.43 118.16 126.48 3luj n LYS 449 Ca -0.06 0.09 -0.34 0.00 -2.02 0.00 0.00 58.31 55.98 3luj n LYS 449 Cb 0.42 -1.57 -0.14 0.00 -0.02 0.00 0.00 35.03 33.73 3luj n LYS 449 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3luj s VAL 450 N -2.52 2.77 0.03 -0.18 1.01 -1.26 -4.76 120.40 115.49 3luj s VAL 450 Ca -0.16 -1.47 -0.17 0.00 0.00 0.00 0.00 61.98 60.18 3luj s VAL 450 Cb 0.07 -2.61 0.03 0.00 0.00 0.00 0.00 36.38 33.87 3luj s VAL 450 CO 0.77 -0.10 0.37 -1.66 0.00 0.00 0.00 175.10 174.48 3luj s TRP 451 N 1.21 -0.22 0.20 5.22 1.48 -1.26 -0.10 118.94 125.47 3luj s TRP 451 Ca -0.06 0.20 0.08 0.00 -1.06 0.00 0.00 56.10 55.26 3luj s TRP 451 Cb -0.20 0.16 -0.05 0.00 -1.16 0.00 0.00 33.47 32.23 3luj s TRP 451 CO -0.02 -0.51 -0.15 0.00 -4.06 0.00 0.00 176.95 172.21 3luj s ALA 452 N -2.18 2.03 -0.14 2.67 0.00 -0.37 -0.40 121.76 123.37 3luj s ALA 452 Ca -0.07 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.24 3luj s ALA 452 Cb -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 3luj s ALA 452 CO -0.01 0.09 -0.15 0.42 0.00 0.00 0.00 175.76 176.12 3luj s ILE 453 N -2.87 2.80 -0.29 0.00 1.01 0.64 -0.31 121.20 122.18 3luj s ILE 453 Ca 0.22 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 60.15 3luj s ILE 453 Cb -0.01 -2.17 0.07 0.00 0.01 0.00 0.00 42.46 40.35 3luj s ILE 453 CO 0.07 0.52 -0.04 0.00 0.00 0.00 0.00 174.94 175.49 3luj s ALA 454 N 0.61 2.72 -0.37 9.38 0.00 -0.23 -1.89 121.76 131.99 3luj s ALA 454 Ca -0.08 -1.95 -0.16 0.00 0.00 0.00 0.00 51.96 49.77 3luj s ALA 454 Cb -0.16 -1.79 -0.00 0.00 0.00 0.00 0.00 23.12 21.17 3luj s ALA 454 CO 0.03 -1.34 0.39 0.00 0.00 0.00 0.00 175.76 174.84 3luj n PHE 456 N 5.46 0.10 -3.34 0.00 3.72 0.63 -0.86 117.46 123.16 3luj n PHE 456 Ca -0.08 -0.05 -0.29 0.00 -0.05 0.00 0.00 57.45 56.98 3luj n PHE 456 Cb 0.49 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.99 3luj n PHE 456 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3luj s ALA 457 N -1.90 3.61 0.53 4.37 0.00 -1.20 -4.73 121.76 122.45 3luj s ALA 457 Ca 0.32 -0.52 -0.21 0.00 0.00 0.00 0.00 51.96 51.55 3luj s ALA 457 Cb 0.21 -2.32 -0.05 0.00 0.00 0.00 0.00 23.12 20.95 3luj s ALA 457 CO 0.31 0.28 1.19 -2.14 0.00 0.00 0.00 175.76 175.40 3luj s PRO 458 N -3.46 3.33 0.54 0.00 0.02 -1.26 -4.80 135.00 129.39 3luj s PRO 458 Ca 0.44 1.81 0.22 0.00 0.02 0.00 0.00 61.00 63.50 3luj s PRO 458 Cb -0.11 -2.14 1.44 0.00 0.02 0.00 0.00 34.50 33.72 3luj s PRO 458 CO 0.29 -0.91 2.12 0.37 -0.33 0.00 0.00 177.00 178.54 3luj h GLN 459 N 1.40 0.00 0.00 5.54 4.15 -1.94 -0.89 115.11 123.36 3luj h GLN 459 Ca -0.50 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 58.91 3luj h GLN 459 Cb 1.27 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.96 3luj h GLN 459 CO 0.57 0.00 -0.05 -0.09 -1.93 0.00 0.00 178.83 177.34 3luj h ARG 460 N 0.00 0.00 0.00 1.69 2.43 -2.00 -2.47 114.38 114.03 3luj h ARG 460 Ca 0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3luj h ARG 460 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3luj h ARG 460 CO -0.00 0.05 -1.62 1.04 -1.51 0.00 0.00 179.97 177.93 3luj n GLN 461 N -4.02 0.65 -3.50 0.20 6.02 -0.43 -4.78 117.38 111.52 3luj n GLN 461 Ca -0.03 -0.13 -0.28 0.00 -0.01 0.00 0.00 57.00 56.55 3luj n GLN 461 Cb 0.14 -1.37 -0.12 0.00 1.02 0.00 0.00 30.24 29.91 3luj n GLN 461 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3luj s THR 463 N 0.50 2.05 0.24 0.00 -4.23 -1.13 -4.45 115.64 108.62 3luj s THR 463 Ca 0.23 -0.17 -0.06 0.00 -1.18 0.00 0.00 61.69 60.51 3luj s THR 463 Cb -0.14 -2.88 0.19 0.00 1.34 0.00 0.00 72.50 71.02 3luj s THR 463 CO -0.07 0.00 1.84 -0.08 -0.54 0.00 0.00 174.62 175.77 3luj h GLU 464 N -1.26 1.16 -0.22 3.99 4.81 -1.99 -1.36 114.58 119.70 3luj h GLU 464 Ca -0.42 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 58.54 3luj h GLU 464 Cb 1.25 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 3luj h GLU 464 CO 0.41 0.89 -0.27 -0.24 -0.73 0.00 0.00 179.01 179.08 3luj h VAL 465 N 1.15 1.27 -0.02 0.32 3.04 -1.98 0.16 116.25 120.18 3luj h VAL 465 Ca 0.28 -1.27 -0.00 0.00 -1.01 0.00 0.00 66.70 64.69 3luj h VAL 465 Cb 0.12 1.39 -0.00 0.00 -2.01 0.00 0.00 31.29 30.79 3luj h VAL 465 CO -0.03 0.40 0.01 0.45 -1.01 0.00 0.00 177.57 177.38 3luj h HIS 466 N 0.38 0.03 -0.37 3.17 3.86 -1.76 -1.02 115.15 119.43 3luj h HIS 466 Ca 0.05 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 3luj h HIS 466 Cb 0.67 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.12 3luj h HIS 466 CO 0.02 0.11 0.19 -0.07 0.86 0.00 0.00 177.93 179.04 3luj h LEU 467 N -0.06 0.48 -0.64 2.43 3.38 -0.78 -0.88 115.31 119.24 3luj h LEU 467 Ca 0.01 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3luj h LEU 467 Cb 0.09 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3luj h LEU 467 CO -0.00 0.45 0.28 0.11 0.09 0.00 0.00 178.44 179.37 3luj h LYS 468 N 0.47 0.93 -0.10 1.13 6.56 -0.66 -0.40 116.57 124.50 3luj h LYS 468 Ca 0.13 -0.15 -0.04 0.00 -1.06 0.00 0.00 60.65 59.53 3luj h LYS 468 Cb 0.09 -0.16 -0.00 0.00 -0.57 0.00 0.00 32.23 31.59 3luj h LYS 468 CO -0.02 0.77 -0.10 1.03 -2.06 0.00 0.00 179.45 179.07 3luj h SER 469 N 0.88 0.26 -0.55 0.86 0.87 -1.03 -2.04 113.55 112.81 3luj h SER 469 Ca 0.22 -0.48 0.09 0.00 -1.23 0.00 0.00 61.79 60.38 3luj h SER 469 Cb 0.16 -0.07 -0.07 0.00 -0.44 0.00 0.00 62.40 61.98 3luj h SER 469 CO -0.02 0.69 0.16 0.15 -0.53 0.00 0.00 176.83 177.28 3luj h PHE 470 N -0.16 0.28 -0.50 2.24 3.57 -1.11 -0.75 116.94 120.52 3luj h PHE 470 Ca 0.02 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.57 3luj h PHE 470 Cb 0.62 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.28 3luj h PHE 470 CO 0.09 0.05 0.29 1.15 -2.23 0.00 0.00 178.31 177.65 3luj h THR 471 N 0.32 1.03 -0.57 4.41 2.02 -0.97 0.99 112.91 120.14 3luj h THR 471 Ca 0.28 -0.20 -0.10 0.00 0.77 0.00 0.00 66.41 67.16 3luj h THR 471 Cb 0.35 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 3luj h THR 471 CO -0.31 0.10 -0.04 -0.08 0.37 0.00 0.00 175.52 175.56 3luj h GLU 472 N 0.57 1.03 -0.54 6.66 4.57 -0.91 0.15 114.58 126.10 3luj h GLU 472 Ca 0.20 -0.34 -0.09 0.00 -1.18 0.00 0.00 59.36 57.96 3luj h GLU 472 Cb 0.04 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 3luj h GLU 472 CO -0.10 1.03 -0.01 1.96 -1.18 0.00 0.00 179.01 180.71 3luj h GLN 473 N 0.93 0.93 -0.34 1.92 1.08 -0.89 -2.60 115.11 116.14 3luj h GLN 473 Ca 0.16 -0.28 -0.13 0.00 -1.45 0.00 0.00 58.65 56.95 3luj h GLN 473 Cb 0.59 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 3luj h GLN 473 CO 0.04 0.92 -0.31 1.25 -0.95 0.00 0.00 178.83 179.78 3luj h LEU 474 N 0.86 0.76 -0.06 1.46 5.85 -0.37 -2.53 115.31 121.27 3luj h LEU 474 Ca 0.16 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.60 3luj h LEU 474 Cb 0.52 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 3luj h LEU 474 CO 0.03 1.01 -0.12 -0.09 -0.34 0.00 0.00 178.44 178.93 3luj h ARG 475 N 0.62 -0.17 -0.26 1.25 2.43 -0.57 -0.99 114.38 116.68 3luj h ARG 475 Ca 0.07 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3luj h ARG 475 Cb 0.83 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 3luj h ARG 475 CO 0.07 -0.11 0.00 0.87 -1.51 0.00 0.00 179.97 179.29 3luj h LYS 476 N -0.18 0.46 -0.31 0.20 1.57 -1.33 -1.89 116.57 115.09 3luj h LYS 476 Ca 0.06 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 3luj h LYS 476 Cb 0.27 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3luj h LYS 476 CO -0.17 0.63 -0.18 0.97 -0.57 0.00 0.00 179.45 180.13 3luj h ILE 477 N 0.24 1.29 -0.27 1.86 2.10 -1.46 -2.13 117.51 119.15 3luj h ILE 477 Ca 0.07 -1.30 -0.05 0.00 1.08 0.00 0.00 64.86 64.66 3luj h ILE 477 Cb 0.42 1.47 -0.02 0.00 -1.09 0.00 0.00 36.82 37.60 3luj h ILE 477 CO 0.01 0.42 -0.03 0.77 -1.08 0.00 0.00 178.15 178.24 3luj h SER 478 N 0.43 0.39 -0.05 2.19 4.64 -1.15 -1.20 113.55 118.79 3luj h SER 478 Ca 0.07 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3luj h SER 478 Cb 0.72 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3luj h SER 478 CO 0.05 0.47 -0.05 -0.09 -0.87 0.00 0.00 176.83 176.35 3luj h ARG 479 N 0.40 0.12 -0.03 4.77 1.12 -1.28 0.12 114.38 119.61 3luj h ARG 479 Ca 0.09 -0.06 0.01 0.00 -1.11 0.00 0.00 59.98 58.90 3luj h ARG 479 Cb 0.31 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.28 3luj h ARG 479 CO 0.01 0.58 0.02 -0.44 -3.11 0.00 0.00 179.97 177.03 3luj h ASP 480 N -0.34 0.00 -0.31 -3.80 3.32 -1.09 -0.96 116.42 113.24 3luj h ASP 480 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3luj h ASP 480 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 3luj h ASP 480 CO 0.01 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.53 3luj n ALA 481 N -2.48 2.46 -1.20 3.45 0.00 -0.48 -4.90 120.51 117.35 3luj n ALA 481 Ca -0.02 -0.58 -0.07 0.00 0.00 0.00 0.00 53.44 52.77 3luj n ALA 481 Cb 0.11 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 3luj n ALA 481 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3luj n GLY 482 N 1.05 0.92 2.46 0.00 0.00 -0.36 -4.84 105.19 104.42 3luj n GLY 482 Ca 0.12 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 45.24 3luj n GLY 482 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3luj n MET 483 N -2.78 1.63 -1.67 1.61 0.00 0.40 -0.29 117.12 116.02 3luj n MET 483 Ca -0.07 -3.72 -0.47 0.00 0.00 0.00 0.00 57.70 53.44 3luj n MET 483 Cb 0.23 -1.74 -0.04 0.00 0.00 0.00 0.00 33.22 31.67 3luj n MET 483 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 3luj n PRO 484 N 0.04 2.15 -3.48 3.17 -0.04 -1.06 -4.49 135.00 131.30 3luj n PRO 484 Ca 0.24 0.78 -0.38 0.00 -0.04 0.00 0.00 63.50 64.10 3luj n PRO 484 Cb 0.65 -2.59 -0.09 0.00 -0.04 0.00 0.00 33.50 31.43 3luj n PRO 484 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3luj s ILE 485 N 2.48 5.24 0.27 0.52 1.01 -1.26 -0.59 121.20 128.87 3luj s ILE 485 Ca 0.86 0.44 -0.30 0.00 0.00 0.00 0.00 60.65 61.64 3luj s ILE 485 Cb -0.69 -3.63 -0.13 0.00 0.01 0.00 0.00 42.46 38.02 3luj s ILE 485 CO 0.45 0.23 1.46 1.67 0.00 0.00 0.00 174.94 178.74 3luj n GLN 486 N 4.95 2.27 0.00 2.79 7.27 0.43 -4.51 117.38 130.59 3luj n GLN 486 Ca -0.11 0.81 0.06 0.00 0.07 0.00 0.00 57.00 57.83 3luj n GLN 486 Cb 0.51 -2.50 0.33 0.00 2.41 0.00 0.00 30.24 30.99 3luj n GLN 486 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3luj n GLY 487 N 2.01 -0.39 2.81 1.69 0.00 -1.26 -4.45 105.19 105.59 3luj n GLY 487 Ca 0.10 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 3luj n GLY 487 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3luj s GLN 488 N -2.00 0.90 0.51 1.61 2.00 -1.26 -4.85 119.66 116.58 3luj s GLN 488 Ca 0.17 -1.27 -0.22 0.00 -2.00 0.00 0.00 55.36 52.04 3luj s GLN 488 Cb 0.08 -2.29 -0.06 0.00 0.80 0.00 0.00 33.01 31.54 3luj s GLN 488 CO 0.13 -0.97 1.26 -1.25 -0.50 0.00 0.00 175.29 173.95 3luj s PRO 489 N 1.44 3.39 0.02 1.67 0.04 -1.26 -4.81 135.00 135.48 3luj s PRO 489 Ca 0.10 1.99 0.28 0.00 0.04 0.00 0.00 61.00 63.41 3luj s PRO 489 Cb -0.18 -2.28 1.08 0.00 0.04 0.00 0.00 34.50 33.16 3luj s PRO 489 CO -0.21 -0.91 1.82 0.00 0.04 0.00 0.00 177.00 177.74 3luj s PHE 491 N -3.01 -0.69 -0.32 0.00 5.36 -1.26 -5.03 117.98 113.04 3luj s PHE 491 Ca 0.13 1.66 0.05 0.00 -0.96 0.00 0.00 56.93 57.81 3luj s PHE 491 Cb 0.18 0.32 0.18 0.00 -0.34 0.00 0.00 43.02 43.36 3luj s PHE 491 CO 0.57 -0.33 0.52 0.00 -1.46 0.00 0.00 175.22 174.52 3luj s LYS 493 N 2.48 0.66 0.18 0.00 1.02 -0.79 -4.98 119.74 118.31 3luj s LYS 493 Ca 0.11 -0.99 -0.13 0.00 0.02 0.00 0.00 55.97 54.99 3luj s LYS 493 Cb -0.10 -0.30 -0.07 0.00 -0.52 0.00 0.00 37.83 36.84 3luj s LYS 493 CO -0.23 0.03 0.56 0.71 -0.92 0.00 0.00 175.35 175.51 3luj s TYR 494 N -2.21 3.54 0.18 3.18 2.02 -1.26 -1.57 117.35 121.23 3luj s TYR 494 Ca -0.01 1.02 -0.09 0.00 -0.37 0.00 0.00 57.07 57.61 3luj s TYR 494 Cb -0.04 -2.35 -0.01 0.00 -0.40 0.00 0.00 41.96 39.16 3luj s TYR 494 CO -0.01 0.36 0.31 0.00 -1.57 0.00 0.00 175.55 174.64 3luj s ALA 495 N -1.60 0.03 -0.01 3.71 0.00 -0.04 -4.91 121.76 118.94 3luj s ALA 495 Ca 0.42 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 3luj s ALA 495 Cb -0.14 0.95 0.01 0.00 0.00 0.00 0.00 23.12 23.94 3luj s ALA 495 CO 0.20 -0.69 0.02 -0.65 0.00 0.00 0.00 175.76 174.64 3luj s GLN 496 N -3.99 0.01 0.00 0.00 -0.21 -1.26 -4.13 119.66 110.09 3luj s GLN 496 Ca 0.20 0.05 0.00 0.00 0.02 0.00 0.00 55.36 55.63 3luj s GLN 496 Cb 0.03 -0.02 0.00 0.00 1.00 0.00 0.00 33.01 34.01 3luj s GLN 496 CO 0.03 -0.02 0.00 0.41 -2.12 0.00 0.00 175.29 173.58 3luj n GLY 497 N 3.22 -1.51 0.33 3.09 0.00 -1.26 -4.30 105.19 104.76 3luj n GLY 497 Ca -0.14 -1.42 -0.02 0.00 0.00 0.00 0.00 46.02 44.44 3luj n GLY 497 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3luj h ALA 498 N 0.00 1.14 0.00 4.61 0.00 -1.92 -2.63 119.26 120.45 3luj h ALA 498 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3luj h ALA 498 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.47 3luj h ALA 498 CO 0.00 0.45 0.22 -0.44 0.00 0.00 0.00 179.25 179.47 3luj h ASP 499 N 1.13 0.00 0.21 0.00 5.19 -1.99 0.13 116.42 121.08 3luj h ASP 499 Ca 0.34 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.75 3luj h ASP 499 Cb -0.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.47 3luj h ASP 499 CO -0.10 0.00 -0.33 -1.54 -3.12 0.00 0.00 179.24 174.15 3luj n SER 500 N -2.70 1.14 0.18 6.45 3.41 -0.99 -4.48 113.62 116.63 3luj n SER 500 Ca -0.02 -0.94 -0.08 0.00 -0.26 0.00 0.00 58.87 57.57 3luj n SER 500 Cb 0.26 0.22 -0.04 0.00 -0.26 0.00 0.00 64.21 64.39 3luj n SER 500 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3luj h VAL 501 N 1.27 0.00 -0.31 -3.33 2.07 -0.88 -3.11 116.25 111.96 3luj h VAL 501 Ca 0.00 -0.33 0.07 0.00 0.82 0.00 0.00 66.70 67.26 3luj h VAL 501 Cb 0.54 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.24 3luj h VAL 501 CO 0.00 0.00 -0.25 -0.08 0.02 0.00 0.00 177.57 177.26 3luj h GLU 502 N -0.85 -0.21 -0.97 1.57 4.81 -1.78 -0.44 114.58 116.71 3luj h GLU 502 Ca -0.05 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.32 3luj h GLU 502 Cb 0.39 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.73 3luj h GLU 502 CO 0.09 -0.14 0.60 -1.35 -0.73 0.00 0.00 179.01 177.47 3luj h PRO 503 N -0.22 0.88 -0.21 0.92 0.11 -1.82 -0.59 132.00 131.07 3luj h PRO 503 Ca 0.16 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.15 3luj h PRO 503 Cb 0.47 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 3luj h PRO 503 CO -0.44 0.58 -0.12 1.98 -0.21 0.00 0.00 178.00 179.79 3luj h MET 504 N 0.91 0.46 -0.62 1.05 1.85 -1.19 -2.33 114.93 115.06 3luj h MET 504 Ca 0.50 -0.21 -0.09 0.00 -0.61 0.00 0.00 59.70 59.28 3luj h MET 504 Cb 0.55 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.55 3luj h MET 504 CO -0.29 0.75 0.02 0.74 -0.40 0.00 0.00 176.91 177.73 3luj h PHE 505 N 0.16 1.18 -0.37 1.39 -1.00 -0.70 -0.64 116.94 116.96 3luj h PHE 505 Ca 0.05 -0.20 0.03 0.00 2.81 0.00 0.00 57.97 60.66 3luj h PHE 505 Cb 0.62 -0.31 -0.03 0.00 3.61 0.00 0.00 35.95 39.84 3luj h PHE 505 CO 0.07 1.03 0.19 0.00 -1.61 0.00 0.00 178.31 177.98 3luj h ARG 506 N 1.00 0.37 -0.63 1.51 3.08 -1.13 0.12 114.38 118.70 3luj h ARG 506 Ca 0.18 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.27 3luj h ARG 506 Cb 0.54 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.45 3luj h ARG 506 CO 0.03 0.25 0.33 1.25 -1.07 0.00 0.00 179.97 180.76 3luj h HIS 507 N 0.39 0.60 -0.15 3.04 2.76 -0.96 -0.39 115.15 120.43 3luj h HIS 507 Ca 0.16 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 3luj h HIS 507 Cb 0.06 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 28.84 3luj h HIS 507 CO -0.10 0.27 0.05 -0.07 -1.30 0.00 0.00 177.93 176.79 3luj h LEU 508 N 0.61 0.22 -0.32 0.26 3.38 -0.50 0.04 115.31 118.99 3luj h LEU 508 Ca 0.29 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3luj h LEU 508 Cb 0.21 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3luj h LEU 508 CO -0.19 0.36 0.21 0.50 0.09 0.00 0.00 178.44 179.41 3luj h LYS 509 N 0.07 0.41 0.00 1.13 3.64 -0.58 -1.04 116.57 120.20 3luj h LYS 509 Ca 0.05 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3luj h LYS 509 Cb 0.22 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3luj h LYS 509 CO -0.00 0.27 0.00 -0.91 -2.27 0.00 0.00 179.45 176.54 3luj h ASN 510 N 0.42 0.00 0.00 4.20 -0.26 -0.97 -3.35 115.58 115.63 3luj h ASN 510 Ca 0.12 0.00 -0.33 0.00 -0.56 0.00 0.00 56.30 55.53 3luj h ASN 510 Cb -0.04 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 37.16 3luj h ASN 510 CO -0.03 0.00 -2.26 0.41 -1.06 0.00 0.00 177.43 174.49 3luj n THR 511 N -2.78 1.26 -3.71 2.81 -1.04 -0.01 -4.85 114.28 105.97 3luj n THR 511 Ca 0.03 -0.60 -0.37 0.00 -2.04 0.00 0.00 64.05 61.06 3luj n THR 511 Cb 0.37 -0.99 -0.10 0.00 -1.82 0.00 0.00 70.33 67.79 3luj n THR 511 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3luj s TYR 512 N -2.44 3.49 0.39 -1.42 2.02 -0.42 -5.07 117.35 113.90 3luj s TYR 512 Ca -0.22 -2.47 -0.26 0.00 -0.37 0.00 0.00 57.07 53.75 3luj s TYR 512 Cb 0.07 -3.27 -0.09 0.00 -0.40 0.00 0.00 41.96 38.27 3luj s TYR 512 CO 0.60 -0.92 1.27 0.00 -1.57 0.00 0.00 175.55 174.94 3luj s ALA 513 N 0.59 3.29 0.00 3.71 0.00 -1.26 -2.68 121.76 125.41 3luj s ALA 513 Ca 0.12 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.26 3luj s ALA 513 Cb -0.22 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.44 3luj s ALA 513 CO -0.04 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.42 3luj n GLY 514 N 0.71 0.50 3.65 0.00 0.00 -1.26 -4.97 105.19 103.82 3luj n GLY 514 Ca 0.03 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.57 3luj n GLY 514 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3luj n LEU 515 N 0.00 2.79 -0.06 0.99 0.00 -1.09 -4.60 117.00 115.03 3luj n LEU 515 Ca 0.00 1.08 -0.05 0.00 0.00 0.00 0.00 56.01 57.04 3luj n LEU 515 Cb 0.08 -1.36 -0.12 0.00 0.00 0.00 0.00 43.42 42.02 3luj n LEU 515 CO 0.00 -0.43 -0.94 0.00 0.00 0.00 0.00 177.39 176.01 3luj n GLN 516 N 3.63 1.43 -3.63 1.96 6.02 0.86 -4.98 117.38 122.67 3luj n GLN 516 Ca 0.18 -0.03 -0.13 0.00 -0.01 0.00 0.00 57.00 57.02 3luj n GLN 516 Cb 0.26 -1.38 -0.07 0.00 1.02 0.00 0.00 30.24 30.07 3luj n GLN 516 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3luj s LEU 517 N -4.95 -0.68 -0.28 1.08 2.96 -1.22 -4.54 118.68 111.05 3luj s LEU 517 Ca -0.07 1.31 -0.04 0.00 -0.22 0.00 0.00 54.13 55.11 3luj s LEU 517 Cb 0.05 2.34 0.03 0.00 0.50 0.00 0.00 46.19 49.11 3luj s LEU 517 CO 0.62 -0.23 0.02 -0.69 -1.32 0.00 0.00 176.35 174.74 3luj s VAL 518 N 0.32 3.39 -0.20 1.68 1.01 -0.87 -1.24 120.40 124.50 3luj s VAL 518 Ca 0.01 -0.97 -0.26 0.00 0.00 0.00 0.00 61.98 60.75 3luj s VAL 518 Cb -0.05 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 3luj s VAL 518 CO -0.00 0.06 0.90 -0.69 0.00 0.00 0.00 175.10 175.37 3luj s VAL 519 N 1.39 4.81 -0.25 2.92 1.01 0.58 -1.37 120.40 129.49 3luj s VAL 519 Ca -0.00 1.75 -0.04 0.00 0.00 0.00 0.00 61.98 63.69 3luj s VAL 519 Cb -0.18 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.02 3luj s VAL 519 CO -0.01 -0.05 -0.02 -0.69 0.00 0.00 0.00 175.10 174.34 3luj s VAL 520 N 2.57 3.38 -0.22 2.92 1.01 -0.09 -1.06 120.40 128.90 3luj s VAL 520 Ca 0.40 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.53 3luj s VAL 520 Cb -0.16 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 3luj s VAL 520 CO 0.10 0.26 0.26 -0.63 0.00 0.00 0.00 175.10 175.09 3luj s ILE 521 N 1.44 5.29 0.10 2.22 1.01 -0.60 -0.62 121.20 130.03 3luj s ILE 521 Ca 0.03 0.41 0.09 0.00 0.00 0.00 0.00 60.65 61.18 3luj s ILE 521 Cb -0.16 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 3luj s ILE 521 CO -0.02 0.30 -0.24 -0.76 0.00 0.00 0.00 174.94 174.22 3luj s LEU 522 N 1.19 2.27 0.25 2.97 1.43 -0.38 -0.27 118.68 126.14 3luj s LEU 522 Ca 0.13 -0.67 0.24 0.00 -1.03 0.00 0.00 54.13 52.79 3luj s LEU 522 Cb -0.14 -1.08 0.96 0.00 0.03 0.00 0.00 46.19 45.95 3luj s LEU 522 CO 0.06 0.15 1.73 -0.81 0.23 0.00 0.00 176.35 177.70 3luj n PRO 523 N 1.22 0.21 0.00 1.29 -0.04 -1.26 -0.72 135.00 135.70 3luj n PRO 523 Ca -0.18 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 3luj n PRO 523 Cb 0.53 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 3luj n PRO 523 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3luj n GLY 524 N 0.23 0.57 3.68 0.55 0.00 -1.26 -4.68 105.19 104.27 3luj n GLY 524 Ca 0.03 -1.50 -0.49 0.00 0.00 0.00 0.00 46.02 44.06 3luj n GLY 524 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3luj n LYS 525 N 0.00 2.03 -3.58 1.61 3.00 -1.26 -4.96 118.16 114.99 3luj n LYS 525 Ca 0.00 0.74 -0.15 0.00 -0.00 0.00 0.00 58.31 58.90 3luj n LYS 525 Cb 0.00 -2.54 -0.06 0.00 0.00 0.00 0.00 35.03 32.43 3luj n LYS 525 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 3luj s THR 526 N 2.98 0.00 0.62 3.15 -1.32 -1.26 -5.01 115.64 114.80 3luj s THR 526 Ca 0.89 0.00 0.32 0.00 -1.21 0.00 0.00 61.69 61.69 3luj s THR 526 Cb -0.74 -1.00 0.37 0.00 -1.51 0.00 0.00 72.50 69.62 3luj s THR 526 CO 0.49 0.00 2.14 -0.65 -2.21 0.00 0.00 174.62 174.39 3luj h PRO 527 N 3.76 0.00 -0.27 7.08 0.11 -2.03 -2.54 132.00 138.12 3luj h PRO 527 Ca -0.27 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 3luj h PRO 527 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3luj h PRO 527 CO 0.23 0.00 0.16 0.28 -0.21 0.00 0.00 178.00 178.46 3luj h VAL 528 N 0.00 1.08 0.45 3.15 2.07 -1.95 -3.00 116.25 118.06 3luj h VAL 528 Ca 0.05 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3luj h VAL 528 Cb 0.39 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3luj h VAL 528 CO -0.00 0.09 -0.42 0.22 0.02 0.00 0.00 177.57 177.47 3luj h TYR 529 N 0.37 -1.15 -0.83 1.57 5.03 -1.83 0.68 116.97 120.80 3luj h TYR 529 Ca 0.10 0.01 0.14 0.00 2.58 0.00 0.00 58.73 61.55 3luj h TYR 529 Cb -0.00 0.45 -0.09 0.00 1.55 0.00 0.00 36.73 38.63 3luj h TYR 529 CO 0.00 -0.59 0.42 0.00 -1.32 0.00 0.00 178.16 176.68 3luj h ALA 530 N -0.57 1.24 -0.41 1.82 0.00 -1.73 -1.44 119.26 118.17 3luj h ALA 530 Ca -0.05 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3luj h ALA 530 Cb 0.77 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3luj h ALA 530 CO -0.05 -0.09 -0.09 1.49 0.00 0.00 0.00 179.25 180.52 3luj h GLU 531 N 0.61 0.79 -0.85 0.00 4.57 -1.34 0.26 114.58 118.63 3luj h GLU 531 Ca 0.45 -0.29 0.06 0.00 -1.18 0.00 0.00 59.36 58.40 3luj h GLU 531 Cb 0.62 -0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 29.10 3luj h GLU 531 CO -0.36 0.91 0.52 0.28 -1.18 0.00 0.00 179.01 179.18 3luj h VAL 532 N 0.61 1.03 -0.14 0.32 2.07 -0.25 0.45 116.25 120.34 3luj h VAL 532 Ca 0.11 -0.33 -0.22 0.00 0.82 0.00 0.00 66.70 67.08 3luj h VAL 532 Cb 0.61 -0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3luj h VAL 532 CO 0.04 0.17 -0.80 0.11 0.02 0.00 0.00 177.57 177.12 3luj h LYS 533 N 0.95 0.76 0.20 1.57 1.79 -1.01 0.20 116.57 121.03 3luj h LYS 533 Ca 0.37 -0.64 0.01 0.00 -2.18 0.00 0.00 60.65 58.22 3luj h LYS 533 Cb 0.18 0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 30.92 3luj h LYS 533 CO -0.18 1.24 -0.46 -0.09 -1.08 0.00 0.00 179.45 178.89 3luj h ARG 534 N 0.52 -0.72 0.40 3.15 2.43 0.01 0.24 114.38 120.41 3luj h ARG 534 Ca -0.06 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 3luj h ARG 534 Cb 1.42 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.14 3luj h ARG 534 CO 0.16 -0.48 -0.19 0.28 -1.51 0.00 0.00 179.97 178.23 3luj h VAL 535 N -0.75 0.60 -0.47 0.20 2.07 -0.95 -1.33 116.25 115.63 3luj h VAL 535 Ca -0.00 -0.18 -0.11 0.00 0.82 0.00 0.00 66.70 67.22 3luj h VAL 535 Cb 0.74 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3luj h VAL 535 CO -0.21 0.04 -0.16 1.23 0.02 0.00 0.00 177.57 178.48 3luj h GLY 536 N -0.65 0.98 1.22 2.17 0.00 -0.94 0.19 103.07 106.03 3luj h GLY 536 Ca -0.06 -0.80 -0.24 0.00 0.00 0.00 0.00 47.33 46.24 3luj h GLY 536 CO 0.09 0.73 -1.45 -0.55 0.00 0.00 0.00 176.54 175.36 3luj h ASP 537 N 0.80 0.00 0.00 0.19 3.32 -0.60 0.49 116.42 120.61 3luj h ASP 537 Ca 0.12 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 3luj h ASP 537 Cb 0.69 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 3luj h ASP 537 CO 0.05 0.87 -1.12 0.41 -1.72 0.00 0.00 179.24 177.73 3luj n THR 538 N -3.07 0.13 -0.09 0.35 -1.04 -0.53 -4.69 114.28 105.33 3luj n THR 538 Ca -0.11 -0.07 -0.12 0.00 -2.04 0.00 0.00 64.05 61.72 3luj n THR 538 Cb 0.97 -0.80 -0.04 0.00 -1.82 0.00 0.00 70.33 68.63 3luj n THR 538 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3luj n VAL 539 N -2.26 1.49 1.01 12.58 0.31 -0.66 -4.72 118.33 126.09 3luj n VAL 539 Ca -0.03 0.08 0.11 0.00 -0.01 0.00 0.00 64.34 64.48 3luj n VAL 539 Cb 0.55 -2.29 -0.02 0.00 -0.91 0.00 0.00 33.84 31.17 3luj n VAL 539 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3luj n LEU 540 N -4.45 1.42 -3.55 7.52 4.32 0.57 -5.00 117.00 117.82 3luj n LEU 540 Ca -0.19 -0.57 -0.23 0.00 -0.02 0.00 0.00 56.01 55.00 3luj n LEU 540 Cb 0.54 -0.02 0.03 0.00 -1.62 0.00 0.00 43.42 42.35 3luj n LEU 540 CO 0.17 0.30 -0.01 0.61 -1.22 0.00 0.00 177.39 177.24 3luj n GLY 541 N 1.46 -1.11 3.13 -0.72 0.00 -1.13 -5.00 105.19 101.81 3luj n GLY 541 Ca 0.07 0.49 -0.26 0.00 0.00 0.00 0.00 46.02 46.32 3luj n GLY 541 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3luj s MET 542 N -5.13 1.83 0.13 1.61 -1.94 0.17 -5.02 119.30 110.96 3luj s MET 542 Ca 0.30 -0.60 -0.31 0.00 -1.71 0.00 0.00 55.69 53.38 3luj s MET 542 Cb -0.10 -1.57 -0.08 0.00 2.01 0.00 0.00 34.83 35.09 3luj s MET 542 CO 0.84 0.22 1.35 0.00 -0.01 0.00 0.00 175.02 177.41 3luj s ALA 543 N 0.12 3.55 0.01 3.03 0.00 -1.26 -4.33 121.76 122.88 3luj s ALA 543 Ca -0.06 1.09 0.04 0.00 0.00 0.00 0.00 51.96 53.03 3luj s ALA 543 Cb -0.12 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.47 3luj s ALA 543 CO 0.03 -0.57 -0.12 0.95 0.00 0.00 0.00 175.76 176.04 3luj s THR 544 N 0.81 0.97 -0.20 0.00 -4.23 -1.26 -2.04 115.64 109.69 3luj s THR 544 Ca 0.62 -0.74 -0.01 0.00 -1.18 0.00 0.00 61.69 60.38 3luj s THR 544 Cb -0.36 -0.85 0.05 0.00 1.34 0.00 0.00 72.50 72.68 3luj s THR 544 CO 0.32 0.12 -0.03 -1.58 -0.54 0.00 0.00 174.62 172.91 3luj s GLN 545 N -0.70 1.29 0.33 3.99 2.00 -0.47 -4.95 119.66 121.14 3luj s GLN 545 Ca 0.02 -0.65 -0.18 0.00 -2.00 0.00 0.00 55.36 52.55 3luj s GLN 545 Cb -0.06 -2.23 -0.09 0.00 0.80 0.00 0.00 33.01 31.43 3luj s GLN 545 CO 0.00 -0.54 0.80 0.00 -0.50 0.00 0.00 175.29 175.05 3luj s VAL 547 N -1.90 0.05 0.26 0.00 1.01 0.21 -4.89 120.40 115.14 3luj s VAL 547 Ca 0.53 -0.42 -0.25 0.00 0.00 0.00 0.00 61.98 61.84 3luj s VAL 547 Cb -0.12 -0.30 -0.09 0.00 0.00 0.00 0.00 36.38 35.87 3luj s VAL 547 CO 0.18 -0.23 0.87 -1.10 0.00 0.00 0.00 175.10 174.81 3luj s GLN 548 N -0.77 4.56 0.54 2.72 -0.21 -1.26 -1.25 119.66 123.99 3luj s GLN 548 Ca -0.09 1.23 0.20 0.00 0.02 0.00 0.00 55.36 56.73 3luj s GLN 548 Cb -0.05 -2.99 1.42 0.00 1.00 0.00 0.00 33.01 32.39 3luj s GLN 548 CO 0.01 0.40 2.16 0.00 -2.12 0.00 0.00 175.29 175.74 3luj h MET 549 N 3.61 0.00 0.00 2.91 -0.00 -1.20 -1.54 114.93 118.71 3luj h MET 549 Ca -0.47 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.22 3luj h MET 549 Cb 1.20 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.79 3luj h MET 549 CO 0.66 0.00 -0.05 1.57 -0.00 0.00 0.00 176.91 179.09 3luj h LYS 550 N 0.00 0.00 -0.03 -0.10 2.10 -1.89 -0.50 116.57 116.15 3luj h LYS 550 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 3luj h LYS 550 Cb 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 3luj h LYS 550 CO -0.00 0.05 -0.01 0.09 -2.00 0.00 0.00 179.45 177.58 3luj n ASN 551 N -3.84 2.69 -0.10 7.07 3.02 -0.58 -3.18 115.26 120.33 3luj n ASN 551 Ca -0.03 -1.89 -0.15 0.00 -0.03 0.00 0.00 54.58 52.49 3luj n ASN 551 Cb 0.14 0.01 -0.14 0.00 -0.61 0.00 0.00 39.78 39.18 3luj n ASN 551 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3luj n VAL 552 N 1.09 1.47 -0.15 2.41 0.31 -0.72 -4.21 118.33 118.53 3luj n VAL 552 Ca 0.15 -0.70 -0.10 0.00 -0.01 0.00 0.00 64.34 63.67 3luj n VAL 552 Cb 0.55 -1.03 -0.01 0.00 -0.91 0.00 0.00 33.84 32.44 3luj n VAL 552 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3luj h GLN 553 N 0.00 0.80 -3.84 5.55 4.20 -1.22 -3.42 115.11 117.19 3luj h GLN 553 Ca -0.54 -0.26 -0.39 0.00 0.06 0.00 0.00 58.65 57.51 3luj h GLN 553 Cb 2.06 -0.07 -0.35 0.00 0.30 0.00 0.00 27.48 29.42 3luj h GLN 553 CO -0.02 0.87 -0.76 1.03 -0.67 0.00 0.00 178.83 179.28 3luj s ARG 554 N -4.97 0.59 0.21 1.46 0.52 -1.19 -4.95 118.95 110.61 3luj s ARG 554 Ca -0.13 0.01 0.05 0.00 -0.52 0.00 0.00 55.73 55.15 3luj s ARG 554 Cb 0.11 -0.75 -0.03 0.00 0.52 0.00 0.00 34.95 34.80 3luj s ARG 554 CO 0.81 -0.15 0.25 0.95 0.02 0.00 0.00 175.30 177.18 3luj s THR 555 N 1.21 4.88 0.13 0.02 -4.23 -1.26 -4.25 115.64 112.14 3luj s THR 555 Ca -0.07 -1.06 0.02 0.00 -1.18 0.00 0.00 61.69 59.41 3luj s THR 555 Cb -0.14 -3.58 -0.04 0.00 1.34 0.00 0.00 72.50 70.08 3luj s THR 555 CO -0.02 -0.24 -0.06 0.42 -0.54 0.00 0.00 174.62 174.19 3luj s THR 556 N -1.92 0.80 0.34 3.99 -4.23 -1.26 -5.03 115.64 108.32 3luj s THR 556 Ca 0.33 -1.97 0.02 0.00 -1.18 0.00 0.00 61.69 58.88 3luj s THR 556 Cb -0.09 -1.82 0.27 0.00 1.34 0.00 0.00 72.50 72.20 3luj s THR 556 CO 0.27 -0.76 1.99 -0.65 -0.54 0.00 0.00 174.62 174.93 3luj h PRO 557 N 2.86 0.89 -0.50 3.99 0.11 -2.00 -1.19 132.00 136.17 3luj h PRO 557 Ca -0.36 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.60 3luj h PRO 557 Cb 1.18 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3luj h PRO 557 CO 0.64 0.59 -0.09 0.37 -0.21 0.00 0.00 178.00 179.30 3luj h GLN 558 N 0.92 0.94 -0.16 1.05 4.15 -1.98 0.52 115.11 120.55 3luj h GLN 558 Ca 0.26 -0.34 -0.17 0.00 0.77 0.00 0.00 58.65 59.17 3luj h GLN 558 Cb -0.06 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 3luj h GLN 558 CO -0.06 1.00 -0.59 1.79 -1.93 0.00 0.00 178.83 179.04 3luj h THR 559 N 0.80 1.33 -0.71 2.39 1.35 -1.88 -1.00 112.91 115.19 3luj h THR 559 Ca 0.13 -1.87 -0.06 0.00 -0.55 0.00 0.00 66.41 64.07 3luj h THR 559 Cb 0.64 1.84 -0.03 0.00 -1.73 0.00 0.00 68.15 68.87 3luj h THR 559 CO 0.04 0.58 0.22 -0.07 -0.25 0.00 0.00 175.52 176.04 3luj h LEU 560 N 0.40 1.03 -0.29 3.87 3.38 -1.13 -2.20 115.31 120.37 3luj h LEU 560 Ca -0.00 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3luj h LEU 560 Cb 1.14 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 3luj h LEU 560 CO 0.11 0.96 0.19 -1.28 0.09 0.00 0.00 178.44 178.51 3luj h SER 561 N 1.04 0.33 -0.67 -0.43 0.87 -0.73 -0.47 113.55 113.50 3luj h SER 561 Ca 0.23 -0.01 0.14 0.00 -1.23 0.00 0.00 61.79 60.92 3luj h SER 561 Cb 0.30 -0.08 -0.10 0.00 -0.44 0.00 0.00 62.40 62.08 3luj h SER 561 CO -0.01 0.24 0.10 0.78 -0.53 0.00 0.00 176.83 177.41 3luj h ASN 562 N 0.39 -0.09 -0.35 6.23 2.35 -1.00 -1.44 115.58 121.66 3luj h ASN 562 Ca 0.11 0.14 -0.09 0.00 -0.55 0.00 0.00 56.30 55.91 3luj h ASN 562 Cb -0.04 0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3luj h ASN 562 CO -0.03 -0.05 -0.12 0.25 -1.65 0.00 0.00 177.43 175.83 3luj h LEU 563 N 0.21 0.71 -1.23 1.61 5.85 -0.77 -2.49 115.31 119.20 3luj h LEU 563 Ca 0.36 -0.38 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 3luj h LEU 563 Cb 0.59 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 3luj h LEU 563 CO -0.49 0.93 0.08 0.00 -0.34 0.00 0.00 178.44 178.62 3luj h LEU 565 N 0.59 0.73 -0.62 0.00 3.38 -1.13 0.16 115.31 118.41 3luj h LEU 565 Ca 0.13 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 3luj h LEU 565 Cb 0.26 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3luj h LEU 565 CO 0.00 0.93 0.31 0.11 0.09 0.00 0.00 178.44 179.88 3luj h LYS 566 N 0.52 0.88 -0.45 1.13 1.57 -0.99 -2.60 116.57 116.63 3luj h LYS 566 Ca 0.09 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 3luj h LYS 566 Cb 0.62 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 3luj h LYS 566 CO 0.04 0.70 -0.04 0.82 -0.57 0.00 0.00 179.45 180.40 3luj h ILE 567 N 0.85 1.24 -0.58 1.86 2.04 -0.71 -2.85 117.51 119.36 3luj h ILE 567 Ca 0.21 -1.04 -0.11 0.00 1.00 0.00 0.00 64.86 64.93 3luj h ILE 567 Cb 0.10 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3luj h ILE 567 CO -0.03 0.36 -0.05 -1.13 0.00 0.00 0.00 178.15 177.31 3luj h ASN 568 N 0.71 1.05 -0.49 1.72 -0.73 -0.73 -2.27 115.58 114.83 3luj h ASN 568 Ca 0.13 -0.32 -0.06 0.00 1.87 0.00 0.00 56.30 57.92 3luj h ASN 568 Cb 0.49 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 38.77 3luj h ASN 568 CO 0.02 1.12 0.09 0.58 -0.37 0.00 0.00 177.43 178.87 3luj h VAL 569 N 0.95 1.24 -0.02 2.57 2.07 -1.36 0.11 116.25 121.81 3luj h VAL 569 Ca 0.16 -0.92 -0.15 0.00 0.82 0.00 0.00 66.70 66.61 3luj h VAL 569 Cb 0.61 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3luj h VAL 569 CO 0.04 0.34 -0.70 0.11 0.02 0.00 0.00 177.57 177.38 3luj h LYS 570 N 0.83 0.10 0.00 1.57 1.57 -1.26 -3.30 116.57 116.08 3luj h LYS 570 Ca 0.17 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3luj h LYS 570 Cb 0.37 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3luj h LYS 570 CO 0.01 0.76 -1.05 1.28 -0.57 0.00 0.00 179.45 179.88 3luj n LEU 571 N -3.75 0.46 0.00 2.94 4.32 -0.88 -5.07 117.00 115.01 3luj n LEU 571 Ca -0.02 -0.33 0.13 0.00 -0.02 0.00 0.00 56.01 55.77 3luj n LEU 571 Cb 0.68 0.00 0.78 0.00 -1.62 0.00 0.00 43.42 43.26 3luj n LEU 571 CO 0.44 0.12 0.95 0.61 -1.22 0.00 0.00 177.39 178.29