#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 4.43 0.08 1.97 -0.21 -1.26 -5.02 119.66 119.66 3luj s GLN 441 Ca 0.00 1.24 -0.31 0.00 0.02 0.00 0.00 55.36 56.31 3luj s GLN 441 Cb 0.00 -2.54 -0.08 0.00 1.00 0.00 0.00 33.01 31.39 3luj s GLN 441 CO 0.00 0.15 1.47 0.12 -2.12 0.00 0.00 175.29 174.91 3luj s PHE 442 N -1.85 2.97 -0.14 0.91 5.36 -1.26 -4.97 117.98 119.00 3luj s PHE 442 Ca 0.55 0.76 -0.13 0.00 -0.96 0.00 0.00 56.93 57.15 3luj s PHE 442 Cb -0.15 -3.76 -0.05 0.00 -0.34 0.00 0.00 43.02 38.72 3luj s PHE 442 CO 0.19 -2.82 0.28 -1.01 -1.46 0.00 0.00 175.22 170.41 3luj s HIS 443 N 1.71 3.50 0.51 10.12 3.76 -1.26 -5.10 115.29 128.54 3luj s HIS 443 Ca 0.67 0.62 0.04 0.00 -0.15 0.00 0.00 55.06 56.24 3luj s HIS 443 Cb -0.37 -2.28 0.03 0.00 1.11 0.00 0.00 32.58 31.07 3luj s HIS 443 CO 0.30 0.35 0.70 0.95 -0.85 0.00 0.00 174.74 176.18 3luj s THR 444 N 0.11 2.77 0.00 1.30 -4.23 -1.26 -4.59 115.64 109.74 3luj s THR 444 Ca 0.17 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.88 3luj s THR 444 Cb -0.13 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.74 3luj s THR 444 CO 0.05 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 3luj n GLY 445 N -2.16 0.80 3.70 3.99 0.00 -1.26 -5.03 105.19 105.23 3luj n GLY 445 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 3luj n GLY 445 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3luj s ILE 446 N -3.07 5.01 -0.09 -0.61 1.01 -1.26 -5.04 121.20 117.15 3luj s ILE 446 Ca 0.00 1.47 -0.01 0.00 0.00 0.00 0.00 60.65 62.12 3luj s ILE 446 Cb 0.00 -4.06 0.03 0.00 0.01 0.00 0.00 42.46 38.44 3luj s ILE 446 CO 0.00 0.19 -0.04 -1.61 0.00 0.00 0.00 174.94 173.48 3luj s GLU 447 N 1.18 1.06 -0.62 2.79 2.02 -1.26 -3.58 118.70 120.28 3luj s GLU 447 Ca 0.37 -0.08 -0.16 0.00 0.02 0.00 0.00 54.97 55.12 3luj s GLU 447 Cb -0.17 -1.24 0.15 0.00 0.10 0.00 0.00 34.13 32.97 3luj s GLU 447 CO 0.17 -0.26 0.58 0.42 0.02 0.00 0.00 175.26 176.19 3luj s ILE 448 N 1.73 5.29 -0.14 -1.63 1.01 -0.14 -4.88 121.20 122.44 3luj s ILE 448 Ca 0.03 -1.73 0.03 0.00 0.00 0.00 0.00 60.65 58.98 3luj s ILE 448 Cb -0.13 -4.38 -0.23 0.00 0.01 0.00 0.00 42.46 37.73 3luj s ILE 448 CO -0.06 -0.93 0.27 0.29 0.00 0.00 0.00 174.94 174.51 3luj n LYS 449 N 4.98 0.70 -3.98 2.79 5.02 -1.26 -1.25 118.16 125.15 3luj n LYS 449 Ca -0.06 0.21 -0.33 0.00 -2.02 0.00 0.00 58.31 56.10 3luj n LYS 449 Cb 0.42 -1.66 -0.14 0.00 -0.02 0.00 0.00 35.03 33.62 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 -2.55 2.59 0.09 -0.18 1.01 -1.26 -4.79 120.40 115.30 3luj s VAL 450 Ca -0.19 -1.57 -0.10 0.00 0.00 0.00 0.00 61.98 60.12 3luj s VAL 450 Cb 0.07 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 33.93 3luj s VAL 450 CO 0.75 -0.11 0.23 -1.66 0.00 0.00 0.00 175.10 174.31 3luj s TRP 451 N 1.16 0.08 0.15 5.22 1.48 -1.26 -0.41 118.94 125.36 3luj s TRP 451 Ca -0.06 -0.47 0.07 0.00 -1.06 0.00 0.00 56.10 54.58 3luj s TRP 451 Cb -0.20 -0.00 -0.04 0.00 -1.16 0.00 0.00 33.47 32.07 3luj s TRP 451 CO -0.03 -0.56 -0.15 0.00 -4.06 0.00 0.00 176.95 172.14 3luj s ALA 452 N -3.72 1.76 -0.15 2.67 0.00 -0.36 -0.49 121.76 121.47 3luj s ALA 452 Ca 0.04 -1.43 -0.00 0.00 0.00 0.00 0.00 51.96 50.56 3luj s ALA 452 Cb 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 3luj s ALA 452 CO -0.10 0.13 -0.13 0.42 0.00 0.00 0.00 175.76 176.07 3luj s ILE 453 N -2.32 2.95 -0.28 0.00 1.01 0.02 -0.64 121.20 121.93 3luj s ILE 453 Ca 0.14 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 60.11 3luj s ILE 453 Cb -0.04 -2.25 0.06 0.00 0.01 0.00 0.00 42.46 40.24 3luj s ILE 453 CO 0.05 0.51 -0.05 0.00 0.00 0.00 0.00 174.94 175.44 3luj s ALA 454 N 0.61 2.69 -0.49 9.38 0.00 -0.15 -2.23 121.76 131.57 3luj s ALA 454 Ca -0.08 -1.79 -0.16 0.00 0.00 0.00 0.00 51.96 49.93 3luj s ALA 454 Cb -0.16 -1.76 0.08 0.00 0.00 0.00 0.00 23.12 21.29 3luj s ALA 454 CO 0.03 -1.25 0.44 0.00 0.00 0.00 0.00 175.76 174.98 3luj n PHE 456 N 5.32 0.00 -2.82 0.00 3.72 -0.00 -1.45 117.46 122.23 3luj n PHE 456 Ca -0.12 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 56.91 3luj n PHE 456 Cb 0.43 -0.13 -0.06 0.00 -0.94 0.00 0.00 39.48 38.78 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 -2.40 3.24 0.28 4.37 0.00 -1.19 -4.61 121.76 121.45 3luj s ALA 457 Ca 0.29 0.49 -0.30 0.00 0.00 0.00 0.00 51.96 52.43 3luj s ALA 457 Cb 0.20 -3.14 -0.12 0.00 0.00 0.00 0.00 23.12 20.06 3luj s ALA 457 CO 0.47 0.20 1.55 -2.30 0.00 0.00 0.00 175.76 175.67 3luj n PRO 458 N 0.65 2.52 -0.34 0.00 -0.02 -1.26 -4.75 135.00 131.80 3luj n PRO 458 Ca 0.01 0.90 0.11 0.00 -2.02 0.00 0.00 63.50 62.50 3luj n PRO 458 Cb 0.50 -2.64 0.32 0.00 -0.02 0.00 0.00 33.50 31.65 3luj n PRO 458 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3luj h GLN 459 N 4.66 0.78 0.00 -0.52 4.15 -1.93 0.20 115.11 122.45 3luj h GLN 459 Ca -0.46 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.91 3luj h GLN 459 Cb 1.24 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.75 3luj h GLN 459 CO 0.79 0.52 0.00 0.07 -1.93 0.00 0.00 178.83 178.27 3luj h ARG 460 N 0.81 0.00 0.00 1.69 0.11 -1.99 -2.75 114.38 112.24 3luj h ARG 460 Ca 0.52 0.00 -0.37 0.00 0.10 0.00 0.00 59.98 60.23 3luj h ARG 460 Cb 0.75 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.76 3luj h ARG 460 CO -0.30 0.00 -2.39 1.04 0.10 0.00 0.00 179.97 178.42 3luj n GLN 461 N -2.99 0.71 -3.77 0.08 6.02 -0.02 -4.80 117.38 112.62 3luj n GLN 461 Ca -0.01 0.03 -0.30 0.00 -0.01 0.00 0.00 57.00 56.71 3luj n GLN 461 Cb 0.20 -1.51 -0.13 0.00 1.02 0.00 0.00 30.24 29.82 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 0.16 1.99 0.24 0.00 -4.23 -1.09 -4.39 115.64 108.32 3luj s THR 463 Ca 0.18 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.62 3luj s THR 463 Cb -0.24 -2.97 0.21 0.00 1.34 0.00 0.00 72.50 70.84 3luj s THR 463 CO -0.00 0.00 1.88 -0.33 -0.54 0.00 0.00 174.62 175.63 3luj h GLU 464 N -1.40 1.06 -0.12 3.99 4.39 -2.00 -1.22 114.58 119.28 3luj h GLU 464 Ca -0.45 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.11 3luj h GLU 464 Cb 1.28 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 3luj h GLU 464 CO 0.52 0.70 -0.27 -0.24 -1.16 0.00 0.00 179.01 178.56 3luj h VAL 465 N 1.09 1.24 -0.42 3.13 3.04 -1.99 0.07 116.25 122.42 3luj h VAL 465 Ca 0.35 -1.13 -0.05 0.00 -1.01 0.00 0.00 66.70 64.86 3luj h VAL 465 Cb 0.01 1.44 -0.02 0.00 -2.01 0.00 0.00 31.29 30.72 3luj h VAL 465 CO -0.12 0.34 0.08 0.45 -1.01 0.00 0.00 177.57 177.31 3luj h HIS 466 N 0.20 0.73 -0.32 3.17 3.86 -1.70 -0.11 115.15 120.98 3luj h HIS 466 Ca 0.03 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.13 3luj h HIS 466 Cb 0.58 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 3luj h HIS 466 CO 0.01 0.70 0.15 -0.07 0.86 0.00 0.00 177.93 179.58 3luj h LEU 467 N 0.55 0.43 -0.77 2.43 3.38 -0.63 -1.64 115.31 119.06 3luj h LEU 467 Ca 0.13 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3luj h LEU 467 Cb 0.36 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3luj h LEU 467 CO 0.01 0.45 -0.26 0.11 0.09 0.00 0.00 178.44 178.83 3luj h LYS 468 N 0.39 0.65 -0.03 1.13 1.79 -0.86 -1.34 116.57 118.29 3luj h LYS 468 Ca 0.11 -0.26 -0.01 0.00 -2.18 0.00 0.00 60.65 58.31 3luj h LYS 468 Cb 0.13 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.75 3luj h LYS 468 CO -0.01 0.84 -0.00 1.03 -1.08 0.00 0.00 179.45 180.22 3luj h SER 469 N 0.56 0.06 -0.75 0.86 0.87 -0.96 -2.08 113.55 112.13 3luj h SER 469 Ca 0.08 -0.34 0.09 0.00 -1.23 0.00 0.00 61.79 60.38 3luj h SER 469 Cb 0.74 -0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 62.61 3luj h SER 469 CO 0.06 0.39 0.40 0.15 -0.53 0.00 0.00 176.83 177.30 3luj h PHE 470 N -0.27 0.72 -0.40 2.24 3.57 -1.22 -0.92 116.94 120.67 3luj h PHE 470 Ca 0.01 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 3luj h PHE 470 Cb 0.36 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 3luj h PHE 470 CO 0.04 0.29 0.03 1.15 -2.23 0.00 0.00 178.31 177.59 3luj h THR 471 N 0.69 1.25 -0.49 4.41 2.02 -1.19 -0.00 112.91 119.60 3luj h THR 471 Ca 0.36 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.59 3luj h THR 471 Cb 0.34 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 3luj h THR 471 CO -0.25 0.32 0.32 -0.08 0.37 0.00 0.00 175.52 176.21 3luj h GLU 472 N 0.53 0.65 -0.49 6.66 4.57 -0.98 0.15 114.58 125.66 3luj h GLU 472 Ca 0.12 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.21 3luj h GLU 472 Cb 0.43 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 3luj h GLU 472 CO 0.02 0.43 0.09 1.96 -1.18 0.00 0.00 179.01 180.32 3luj h GLN 473 N 0.66 0.75 -0.32 1.92 1.08 -0.91 -1.97 115.11 116.32 3luj h GLN 473 Ca 0.18 -0.16 -0.17 0.00 -1.45 0.00 0.00 58.65 57.05 3luj h GLN 473 Cb -0.07 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.24 3luj h GLN 473 CO -0.04 0.71 -0.47 1.25 -0.95 0.00 0.00 178.83 179.32 3luj h LEU 474 N 0.72 0.95 -0.27 1.46 5.85 -0.60 -2.37 115.31 121.06 3luj h LEU 474 Ca 0.16 -0.48 0.02 0.00 0.84 0.00 0.00 57.88 58.42 3luj h LEU 474 Cb 0.32 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3luj h LEU 474 CO 0.00 1.27 0.13 -0.09 -0.34 0.00 0.00 178.44 179.41 3luj h ARG 475 N 0.69 0.26 -0.16 1.25 2.43 -0.43 -1.33 114.38 117.09 3luj h ARG 475 Ca 0.04 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3luj h ARG 475 Cb 1.07 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 3luj h ARG 475 CO 0.11 0.17 0.03 0.87 -1.51 0.00 0.00 179.97 179.64 3luj h LYS 476 N 0.27 0.27 -0.31 0.20 1.57 -1.28 -1.33 116.57 115.95 3luj h LYS 476 Ca 0.11 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.66 3luj h LYS 476 Cb 0.05 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 3luj h LYS 476 CO -0.09 0.44 -0.44 0.97 -0.57 0.00 0.00 179.45 179.76 3luj h ILE 477 N 0.05 1.28 -0.72 1.86 2.10 -1.39 -1.14 117.51 119.56 3luj h ILE 477 Ca 0.05 -1.62 0.00 0.00 1.08 0.00 0.00 64.86 64.37 3luj h ILE 477 Cb 0.30 1.56 -0.04 0.00 -1.09 0.00 0.00 36.82 37.56 3luj h ILE 477 CO 0.00 0.53 0.46 0.77 -1.08 0.00 0.00 178.15 178.84 3luj h SER 478 N 0.63 0.83 -0.20 2.19 4.64 -1.26 -0.06 113.55 120.34 3luj h SER 478 Ca 0.03 -0.03 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 3luj h SER 478 Cb 1.04 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.90 3luj h SER 478 CO 0.10 0.62 0.03 -0.09 -0.87 0.00 0.00 176.83 176.62 3luj h ARG 479 N 0.97 0.10 -0.54 4.77 2.43 -1.11 -0.23 114.38 120.77 3luj h ARG 479 Ca 0.26 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.40 3luj h ARG 479 Cb -0.09 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 3luj h ARG 479 CO -0.05 0.07 0.23 -0.44 -1.51 0.00 0.00 179.97 178.26 3luj h ASP 480 N 0.11 0.70 0.96 -3.80 3.32 -0.66 -1.69 116.42 115.37 3luj h ASP 480 Ca 0.09 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3luj h ASP 480 Cb 0.09 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3luj h ASP 480 CO -0.13 0.62 0.00 0.00 -1.72 0.00 0.00 179.24 178.02 3luj n ALA 481 N -2.46 1.93 -1.56 3.45 0.00 -0.08 -4.91 120.51 116.88 3luj n ALA 481 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3luj n ALA 481 Cb 0.15 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 0.57 0.67 2.33 0.00 0.00 -0.63 -4.99 105.19 103.14 3luj n GLY 482 Ca 0.04 -0.73 -0.20 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.14 1.41 -1.72 1.61 0.00 -0.15 -4.39 117.12 112.75 3luj n MET 483 Ca 0.00 -3.67 -0.42 0.00 0.00 0.00 0.00 57.70 53.61 3luj n MET 483 Cb 0.37 -1.80 -0.03 0.00 0.00 0.00 0.00 33.22 31.77 3luj n MET 483 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3luj s PRO 484 N -2.59 4.12 -0.25 3.17 0.04 -1.20 -4.45 135.00 133.85 3luj s PRO 484 Ca 0.42 2.61 -0.09 0.00 0.04 0.00 0.00 61.00 63.98 3luj s PRO 484 Cb 0.33 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 3luj s PRO 484 CO -0.09 -0.78 0.12 0.42 0.04 0.00 0.00 177.00 176.71 3luj s ILE 485 N 1.55 4.86 0.51 0.56 1.01 -1.26 -0.97 121.20 127.46 3luj s ILE 485 Ca 0.76 0.01 -0.23 0.00 0.00 0.00 0.00 60.65 61.20 3luj s ILE 485 Cb -0.49 -3.28 -0.06 0.00 0.01 0.00 0.00 42.46 38.64 3luj s ILE 485 CO 0.33 0.33 1.30 0.00 0.00 0.00 0.00 174.94 176.90 3luj s GLN 486 N 1.39 3.41 0.51 2.79 -2.07 -0.38 -4.51 119.66 120.80 3luj s GLN 486 Ca 0.06 2.10 0.20 0.00 -1.82 0.00 0.00 55.36 55.90 3luj s GLN 486 Cb -0.15 -2.36 1.33 0.00 -1.09 0.00 0.00 33.01 30.74 3luj s GLN 486 CO 0.06 -0.93 2.11 0.78 -1.32 0.00 0.00 175.29 175.99 3luj h GLY 487 N 1.77 0.00 -7.55 2.60 0.00 -1.91 -3.40 103.07 94.57 3luj h GLY 487 Ca -0.50 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.12 3luj h GLY 487 CO 0.59 0.00 -0.52 1.62 0.00 0.00 0.00 176.54 178.22 3luj s GLN 488 N -4.73 2.62 0.53 4.80 2.00 -1.26 -4.86 119.66 118.76 3luj s GLN 488 Ca -0.04 -1.32 -0.20 0.00 -2.00 0.00 0.00 55.36 51.80 3luj s GLN 488 Cb 0.16 -3.66 -0.07 0.00 0.80 0.00 0.00 33.01 30.24 3luj s GLN 488 CO 0.64 -0.82 1.11 -1.25 -0.50 0.00 0.00 175.29 174.47 3luj s PRO 489 N 1.43 3.48 0.19 1.67 0.04 -1.26 -4.83 135.00 135.71 3luj s PRO 489 Ca 0.01 1.55 0.22 0.00 0.04 0.00 0.00 61.00 62.83 3luj s PRO 489 Cb -0.21 -2.04 0.89 0.00 0.04 0.00 0.00 34.50 33.19 3luj s PRO 489 CO 0.03 -0.73 1.67 0.00 0.04 0.00 0.00 177.00 178.01 3luj s PHE 491 N -3.21 -0.71 -0.23 0.00 5.36 -1.26 -5.05 117.98 112.88 3luj s PHE 491 Ca 0.06 1.58 -0.03 0.00 -0.96 0.00 0.00 56.93 57.58 3luj s PHE 491 Cb 0.10 0.40 0.12 0.00 -0.34 0.00 0.00 43.02 43.30 3luj s PHE 491 CO 0.39 -0.35 0.34 0.00 -1.46 0.00 0.00 175.22 174.14 3luj s LYS 493 N 2.49 0.44 0.20 0.00 1.02 -0.95 -5.00 119.74 117.94 3luj s LYS 493 Ca 0.11 -0.84 -0.17 0.00 0.02 0.00 0.00 55.97 55.09 3luj s LYS 493 Cb -0.15 0.11 -0.08 0.00 -0.52 0.00 0.00 37.83 37.19 3luj s LYS 493 CO -0.15 -0.06 0.65 0.71 -0.92 0.00 0.00 175.35 175.57 3luj s TYR 494 N -2.35 3.60 0.09 3.18 2.02 -1.26 -0.79 117.35 121.83 3luj s TYR 494 Ca -0.07 1.23 -0.04 0.00 -0.37 0.00 0.00 57.07 57.82 3luj s TYR 494 Cb -0.03 -2.50 -0.02 0.00 -0.40 0.00 0.00 41.96 39.00 3luj s TYR 494 CO -0.04 0.35 0.08 0.00 -1.57 0.00 0.00 175.55 174.38 3luj s ALA 495 N -1.54 0.27 -0.04 3.71 0.00 -0.53 -4.89 121.76 118.73 3luj s ALA 495 Ca 0.42 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.37 3luj s ALA 495 Cb -0.15 0.48 0.02 0.00 0.00 0.00 0.00 23.12 23.47 3luj s ALA 495 CO 0.20 -0.46 -0.05 -1.14 0.00 0.00 0.00 175.76 174.31 3luj s GLN 496 N -3.92 0.86 0.00 0.00 0.74 -1.26 -4.17 119.66 111.91 3luj s GLN 496 Ca 0.10 -0.13 0.00 0.00 0.05 0.00 0.00 55.36 55.38 3luj s GLN 496 Cb 0.06 -0.85 0.00 0.00 1.10 0.00 0.00 33.01 33.33 3luj s GLN 496 CO -0.08 -0.06 0.00 0.41 -0.55 0.00 0.00 175.29 175.01 3luj n GLY 497 N 3.97 -2.35 0.38 2.59 0.00 -1.26 -4.33 105.19 104.20 3luj n GLY 497 Ca -0.25 -1.31 0.15 0.00 0.00 0.00 0.00 46.02 44.61 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 2.10 0.00 4.61 0.00 -1.92 -1.50 119.26 122.55 3luj h ALA 498 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3luj h ALA 498 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3luj h ALA 498 CO 0.00 -0.31 0.00 -0.44 0.00 0.00 0.00 179.25 178.50 3luj h ASP 499 N 0.42 0.00 1.54 0.00 5.19 -1.98 -1.72 116.42 119.87 3luj h ASP 499 Ca 0.37 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.78 3luj h ASP 499 Cb 0.84 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.35 3luj h ASP 499 CO -0.12 0.00 -0.09 0.28 -3.12 0.00 0.00 179.24 176.19 3luj h SER 500 N 0.00 0.00 0.70 6.45 0.02 -1.46 -3.37 113.55 115.89 3luj h SER 500 Ca 0.00 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 3luj h SER 500 Cb 0.23 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.78 3luj h SER 500 CO 0.00 0.01 -0.34 0.58 -1.14 0.00 0.00 176.83 175.94 3luj h VAL 501 N 0.00 0.27 -0.31 2.27 2.07 -1.43 -2.55 116.25 116.58 3luj h VAL 501 Ca 0.00 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.44 3luj h VAL 501 Cb 0.82 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3luj h VAL 501 CO 0.00 0.01 0.13 -0.08 0.02 0.00 0.00 177.57 177.66 3luj h GLU 502 N -1.02 0.28 -0.56 1.57 4.81 -1.75 -0.52 114.58 117.39 3luj h GLU 502 Ca -0.10 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 3luj h GLU 502 Cb 0.74 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 3luj h GLU 502 CO 0.16 0.19 0.24 -1.35 -0.73 0.00 0.00 179.01 177.52 3luj h PRO 503 N 0.29 0.83 -0.17 0.92 0.11 -1.77 -1.15 132.00 131.05 3luj h PRO 503 Ca 0.13 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3luj h PRO 503 Cb 0.08 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 3luj h PRO 503 CO -0.11 0.70 0.11 1.98 -0.21 0.00 0.00 178.00 180.47 3luj h MET 504 N 0.77 0.23 -0.71 1.05 1.85 -1.09 -1.41 114.93 115.61 3luj h MET 504 Ca 0.19 -0.01 -0.07 0.00 -0.61 0.00 0.00 59.70 59.20 3luj h MET 504 Cb 0.17 -0.05 -0.03 0.00 0.43 0.00 0.00 31.60 32.12 3luj h MET 504 CO -0.02 0.15 0.17 0.74 -0.40 0.00 0.00 176.91 177.55 3luj h PHE 505 N 0.23 1.20 -0.43 1.39 -1.00 -0.94 0.71 116.94 118.10 3luj h PHE 505 Ca 0.06 -0.14 0.01 0.00 2.81 0.00 0.00 57.97 60.71 3luj h PHE 505 Cb -0.03 -0.34 -0.03 0.00 3.61 0.00 0.00 35.95 39.17 3luj h PHE 505 CO -0.07 0.97 0.27 0.00 -1.61 0.00 0.00 178.31 177.87 3luj h ARG 506 N 1.08 0.53 -0.33 1.51 3.08 -1.14 -1.07 114.38 118.04 3luj h ARG 506 Ca 0.22 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.30 3luj h ARG 506 Cb 0.38 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.26 3luj h ARG 506 CO 0.00 0.35 -0.00 1.25 -1.07 0.00 0.00 179.97 180.50 3luj h HIS 507 N 0.54 -0.02 -0.22 3.04 2.76 -0.59 -0.10 115.15 120.57 3luj h HIS 507 Ca 0.17 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.40 3luj h HIS 507 Cb -0.02 0.06 -0.04 0.00 1.55 0.00 0.00 27.41 28.96 3luj h HIS 507 CO -0.06 -0.06 -0.02 -0.07 -1.30 0.00 0.00 177.93 176.42 3luj h LEU 508 N 0.09 -0.13 -1.18 0.26 3.38 -0.53 -1.83 115.31 115.38 3luj h LEU 508 Ca 0.16 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 3luj h LEU 508 Cb 0.22 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3luj h LEU 508 CO -0.27 -0.04 0.02 0.50 0.09 0.00 0.00 178.44 178.74 3luj h LYS 509 N 0.04 0.59 0.00 1.13 3.64 -0.90 -1.73 116.57 119.34 3luj h LYS 509 Ca 0.10 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3luj h LYS 509 Cb 0.14 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3luj h LYS 509 CO -0.19 0.60 0.00 0.09 -2.27 0.00 0.00 179.45 177.67 3luj n ASN 510 N -4.28 0.53 -0.03 4.20 3.02 -0.08 -4.29 115.26 114.33 3luj n ASN 510 Ca 0.02 0.57 -0.04 0.00 -0.03 0.00 0.00 54.58 55.10 3luj n ASN 510 Cb 0.24 -0.70 -0.03 0.00 -0.61 0.00 0.00 39.78 38.68 3luj n ASN 510 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3luj n THR 511 N -2.01 0.35 -3.67 3.41 -1.04 -0.73 -4.94 114.28 105.65 3luj n THR 511 Ca 0.05 -0.14 -0.38 0.00 -2.04 0.00 0.00 64.05 61.54 3luj n THR 511 Cb 0.35 -0.74 -0.10 0.00 -1.82 0.00 0.00 70.33 68.03 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 -2.12 3.50 0.35 -1.42 2.02 -0.69 -5.07 117.35 113.91 3luj s TYR 512 Ca -0.08 -2.35 -0.29 0.00 -0.37 0.00 0.00 57.07 53.99 3luj s TYR 512 Cb 0.02 -3.32 -0.11 0.00 -0.40 0.00 0.00 41.96 38.15 3luj s TYR 512 CO 0.15 -0.94 1.51 0.00 -1.57 0.00 0.00 175.55 174.70 3luj s ALA 513 N 0.75 3.62 0.00 3.71 0.00 -1.26 -2.52 121.76 126.05 3luj s ALA 513 Ca 0.11 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.62 3luj s ALA 513 Cb -0.22 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.29 3luj s ALA 513 CO -0.03 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.13 3luj n GLY 514 N 0.97 0.61 3.66 0.00 0.00 -1.26 -4.98 105.19 104.20 3luj n GLY 514 Ca 0.03 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.54 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 2.67 -0.04 0.99 7.94 -1.05 -4.54 117.00 122.97 3luj n LEU 515 Ca 0.00 1.06 -0.00 0.00 -1.11 0.00 0.00 56.01 55.96 3luj n LEU 515 Cb 0.00 -1.29 -0.12 0.00 0.53 0.00 0.00 43.42 42.54 3luj n LEU 515 CO 0.00 -0.45 -0.84 0.00 -1.11 0.00 0.00 177.39 174.99 3luj n GLN 516 N 4.50 1.08 -3.64 1.96 6.02 0.45 -4.99 117.38 122.77 3luj n GLN 516 Ca 0.21 -0.07 -0.11 0.00 -0.01 0.00 0.00 57.00 57.02 3luj n GLN 516 Cb 0.23 -1.38 -0.07 0.00 1.02 0.00 0.00 30.24 30.04 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 -4.62 -0.62 -0.26 1.08 0.20 -1.24 -4.59 118.68 108.63 3luj s LEU 517 Ca -0.07 1.16 -0.03 0.00 0.69 0.00 0.00 54.13 55.88 3luj s LEU 517 Cb 0.07 2.15 0.02 0.00 -0.43 0.00 0.00 46.19 48.00 3luj s LEU 517 CO 0.63 -0.20 -0.02 -0.69 -0.29 0.00 0.00 176.35 175.78 3luj s VAL 518 N 0.48 3.21 -0.19 1.68 1.01 -0.72 -1.23 120.40 124.64 3luj s VAL 518 Ca -0.00 -0.91 -0.25 0.00 0.00 0.00 0.00 61.98 60.82 3luj s VAL 518 Cb -0.05 -2.63 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 3luj s VAL 518 CO -0.05 0.17 0.84 -0.69 0.00 0.00 0.00 175.10 175.37 3luj s VAL 519 N 1.38 4.86 -0.21 2.92 1.01 0.18 -1.19 120.40 129.36 3luj s VAL 519 Ca 0.01 1.63 -0.02 0.00 0.00 0.00 0.00 61.98 63.60 3luj s VAL 519 Cb -0.17 -4.14 -0.00 0.00 0.00 0.00 0.00 36.38 32.07 3luj s VAL 519 CO -0.02 -0.01 -0.09 -0.69 0.00 0.00 0.00 175.10 174.28 3luj s VAL 520 N 2.39 2.98 -0.21 2.92 1.01 0.03 -0.98 120.40 128.54 3luj s VAL 520 Ca 0.38 -0.63 -0.18 0.00 0.00 0.00 0.00 61.98 61.55 3luj s VAL 520 Cb -0.16 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 3luj s VAL 520 CO 0.11 0.46 0.48 -0.63 0.00 0.00 0.00 175.10 175.52 3luj s ILE 521 N 1.40 5.13 -0.10 2.22 -1.09 0.05 -1.00 121.20 127.80 3luj s ILE 521 Ca 0.05 0.87 -0.00 0.00 -2.23 0.00 0.00 60.65 59.34 3luj s ILE 521 Cb -0.14 -3.80 -0.02 0.00 -1.58 0.00 0.00 42.46 36.91 3luj s ILE 521 CO -0.06 0.19 -0.09 -0.76 -1.23 0.00 0.00 174.94 172.99 3luj s LEU 522 N 1.62 3.01 -1.08 2.97 1.43 0.00 -0.82 118.68 125.81 3luj s LEU 522 Ca 0.22 -0.15 -0.18 0.00 -1.03 0.00 0.00 54.13 52.98 3luj s LEU 522 Cb -0.15 -1.67 0.11 0.00 0.03 0.00 0.00 46.19 44.51 3luj s LEU 522 CO 0.09 0.26 1.38 -2.16 0.23 0.00 0.00 176.35 176.15 3luj s PRO 523 N -0.19 3.79 3.00 1.29 0.04 -1.26 -0.18 135.00 141.49 3luj s PRO 523 Ca 0.02 -1.89 0.00 0.00 0.04 0.00 0.00 61.00 59.17 3luj s PRO 523 Cb -0.13 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 29.26 3luj s PRO 523 CO 0.03 -1.94 0.00 0.41 0.04 0.00 0.00 177.00 175.54 3luj n GLY 524 N 5.40 0.39 3.69 0.56 0.00 -1.26 -4.71 105.19 109.28 3luj n GLY 524 Ca 0.33 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 3luj n GLY 524 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3luj s LYS 525 N 0.00 4.30 -0.22 1.61 -0.14 -1.26 -5.00 119.74 119.03 3luj s LYS 525 Ca 0.00 1.96 -0.22 0.00 -1.36 0.00 0.00 55.97 56.35 3luj s LYS 525 Cb 0.00 -3.51 0.06 0.00 -1.68 0.00 0.00 37.83 32.70 3luj s LYS 525 CO 0.00 -0.53 0.63 -0.08 -0.76 0.00 0.00 175.35 174.61 3luj s THR 526 N 2.11 0.00 -0.77 2.17 -1.32 -1.26 -5.00 115.64 111.57 3luj s THR 526 Ca 0.63 -0.01 0.08 0.00 -1.21 0.00 0.00 61.69 61.19 3luj s THR 526 Cb -0.32 -0.88 0.08 0.00 -1.51 0.00 0.00 72.50 69.87 3luj s THR 526 CO 0.27 -0.00 1.25 -2.65 -2.21 0.00 0.00 174.62 171.28 3luj n PRO 527 N 2.62 0.04 -0.15 7.08 -0.02 -1.26 -1.71 135.00 141.60 3luj n PRO 527 Ca -0.14 0.51 0.01 0.00 -2.02 0.00 0.00 63.50 61.86 3luj n PRO 527 Cb 0.56 -1.64 0.29 0.00 -0.02 0.00 0.00 33.50 32.69 3luj n PRO 527 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3luj h VAL 528 N 0.00 1.17 0.22 -1.45 2.07 -1.94 -2.73 116.25 113.59 3luj h VAL 528 Ca 0.00 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 3luj h VAL 528 Cb 0.04 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3luj h VAL 528 CO 0.00 0.18 -0.11 0.22 0.02 0.00 0.00 177.57 177.88 3luj h TYR 529 N 0.88 -0.27 -1.00 1.57 5.03 -1.73 0.10 116.97 121.55 3luj h TYR 529 Ca 0.23 -0.01 0.11 0.00 2.58 0.00 0.00 58.73 61.65 3luj h TYR 529 Cb -0.07 0.09 -0.08 0.00 1.55 0.00 0.00 36.73 38.22 3luj h TYR 529 CO 0.00 -0.12 0.63 0.00 -1.32 0.00 0.00 178.16 177.35 3luj h ALA 530 N 0.41 1.48 -0.35 1.82 0.00 -1.73 -1.95 119.26 118.95 3luj h ALA 530 Ca -0.03 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3luj h ALA 530 Cb 0.28 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3luj h ALA 530 CO 0.05 0.26 -0.10 1.49 0.00 0.00 0.00 179.25 180.95 3luj h GLU 531 N 1.02 0.68 -0.58 0.00 4.57 -1.13 0.33 114.58 119.48 3luj h GLU 531 Ca 0.48 -0.27 0.10 0.00 -1.18 0.00 0.00 59.36 58.49 3luj h GLU 531 Cb 0.43 -0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 28.91 3luj h GLU 531 CO -0.25 0.85 0.17 0.28 -1.18 0.00 0.00 179.01 178.88 3luj h VAL 532 N 0.47 0.72 -0.18 0.32 2.07 -0.70 0.26 116.25 119.21 3luj h VAL 532 Ca 0.09 -0.11 -0.18 0.00 0.82 0.00 0.00 66.70 67.32 3luj h VAL 532 Cb 0.60 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3luj h VAL 532 CO 0.04 0.06 -0.61 0.11 0.02 0.00 0.00 177.57 177.18 3luj h LYS 533 N 0.32 0.60 -0.03 1.57 1.79 -1.20 0.12 116.57 119.74 3luj h LYS 533 Ca 0.29 -0.41 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 3luj h LYS 533 Cb 0.39 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.10 3luj h LYS 533 CO -0.34 1.03 -0.00 -0.09 -1.08 0.00 0.00 179.45 178.97 3luj h ARG 534 N 0.45 0.01 -0.11 3.15 2.43 -0.46 -0.45 114.38 119.40 3luj h ARG 534 Ca -0.01 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 3luj h ARG 534 Cb 1.18 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3luj h ARG 534 CO 0.12 0.01 -0.20 0.28 -1.51 0.00 0.00 179.97 178.66 3luj h VAL 535 N 0.01 1.38 0.00 0.20 2.07 -0.90 -1.87 116.25 117.15 3luj h VAL 535 Ca 0.01 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.06 3luj h VAL 535 Cb 0.02 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3luj h VAL 535 CO -0.03 0.43 -0.00 1.23 0.02 0.00 0.00 177.57 179.22 3luj h GLY 536 N -0.11 -0.01 1.79 2.17 0.00 -0.80 -0.01 103.07 106.11 3luj h GLY 536 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.10 3luj h GLY 536 CO 0.05 -0.00 -1.14 -0.55 0.00 0.00 0.00 176.54 174.89 3luj h ASP 537 N -0.52 0.11 0.00 0.19 3.32 -1.21 0.26 116.42 118.57 3luj h ASP 537 Ca -0.00 -0.12 -0.10 0.00 0.02 0.00 0.00 57.03 56.83 3luj h ASP 537 Cb 0.52 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 3luj h ASP 537 CO 0.00 1.10 -1.58 0.41 -1.72 0.00 0.00 179.24 177.45 3luj n THR 538 N -3.37 0.36 -0.10 0.35 -1.04 -0.74 -4.67 114.28 105.08 3luj n THR 538 Ca -0.04 -0.33 -0.20 0.00 -2.04 0.00 0.00 64.05 61.43 3luj n THR 538 Cb 0.97 -0.29 -0.07 0.00 -1.82 0.00 0.00 70.33 69.13 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 -2.13 1.08 0.49 12.58 0.31 -0.97 -4.82 118.33 124.88 3luj n VAL 539 Ca -0.09 -0.25 0.05 0.00 -0.01 0.00 0.00 64.34 64.03 3luj n VAL 539 Cb 0.57 -1.78 -0.03 0.00 -0.91 0.00 0.00 33.84 31.69 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 -3.89 0.95 -3.41 7.52 4.77 -0.06 -5.01 117.00 117.87 3luj n LEU 540 Ca -0.37 -0.65 -0.17 0.00 -0.03 0.00 0.00 56.01 54.78 3luj n LEU 540 Cb 0.76 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.92 3luj n LEU 540 CO 0.03 0.20 0.05 0.61 -1.33 0.00 0.00 177.39 176.95 3luj n GLY 541 N 1.07 -0.67 3.21 -0.72 0.00 -0.92 -5.01 105.19 102.16 3luj n GLY 541 Ca 0.03 0.29 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 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 -5.11 3.12 0.16 1.61 1.00 0.87 -5.02 119.30 115.94 3luj s MET 542 Ca 0.18 -0.79 -0.31 0.00 0.00 0.00 0.00 55.69 54.78 3luj s MET 542 Cb -0.03 -2.59 -0.09 0.00 0.00 0.00 0.00 34.83 32.13 3luj s MET 542 CO 0.75 -0.05 1.41 0.00 0.00 0.00 0.00 175.02 177.12 3luj s ALA 543 N 0.96 3.61 0.04 3.03 0.00 -1.26 -4.21 121.76 123.93 3luj s ALA 543 Ca -0.03 1.19 0.04 0.00 0.00 0.00 0.00 51.96 53.17 3luj s ALA 543 Cb -0.15 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.41 3luj s ALA 543 CO -0.03 -0.64 -0.13 0.95 0.00 0.00 0.00 175.76 175.90 3luj s THR 544 N 0.70 1.02 -0.16 0.00 -4.23 -1.26 -1.76 115.64 109.95 3luj s THR 544 Ca 0.63 -0.97 -0.01 0.00 -1.18 0.00 0.00 61.69 60.16 3luj s THR 544 Cb -0.39 -0.93 0.04 0.00 1.34 0.00 0.00 72.50 72.56 3luj s THR 544 CO 0.34 -0.03 -0.04 -1.58 -0.54 0.00 0.00 174.62 172.77 3luj s GLN 545 N -1.14 1.33 0.41 3.99 2.00 -0.33 -4.94 119.66 120.98 3luj s GLN 545 Ca 0.00 -0.48 -0.09 0.00 -2.00 0.00 0.00 55.36 52.80 3luj s GLN 545 Cb -0.08 -1.96 -0.06 0.00 0.80 0.00 0.00 33.01 31.72 3luj s GLN 545 CO 0.01 -0.44 0.76 0.00 -0.50 0.00 0.00 175.29 175.12 3luj s VAL 547 N -2.43 0.03 0.21 0.00 0.11 -0.17 -4.87 120.40 113.28 3luj s VAL 547 Ca 0.50 -0.24 -0.30 0.00 -2.93 0.00 0.00 61.98 59.01 3luj s VAL 547 Cb -0.10 -0.57 -0.08 0.00 -1.53 0.00 0.00 36.38 34.09 3luj s VAL 547 CO 0.34 -0.13 1.00 -1.10 -3.33 0.00 0.00 175.10 171.88 3luj s GLN 548 N -0.60 4.74 0.31 1.54 -0.21 -1.26 -0.82 119.66 123.36 3luj s GLN 548 Ca -0.07 1.58 0.09 0.00 0.02 0.00 0.00 55.36 56.97 3luj s GLN 548 Cb -0.04 -3.28 0.85 0.00 1.00 0.00 0.00 33.01 31.54 3luj s GLN 548 CO 0.03 0.32 1.73 1.98 -2.12 0.00 0.00 175.29 177.23 3luj h MET 549 N 4.56 0.58 -0.08 2.91 1.85 -0.92 -1.34 114.93 122.49 3luj h MET 549 Ca -0.45 -0.04 -0.03 0.00 -0.61 0.00 0.00 59.70 58.58 3luj h MET 549 Cb 1.21 -0.13 -0.01 0.00 0.43 0.00 0.00 31.60 33.10 3luj h MET 549 CO 0.69 0.39 -0.08 1.57 -0.40 0.00 0.00 176.91 179.08 3luj h LYS 550 N 0.60 0.12 -0.00 0.39 2.10 -1.92 -0.65 116.57 117.21 3luj h LYS 550 Ca 0.63 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 59.26 3luj h LYS 550 Cb 1.16 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 3luj h LYS 550 CO -0.46 0.22 -0.06 0.09 -2.00 0.00 0.00 179.45 177.23 3luj n ASN 551 N -4.37 0.18 -0.08 7.07 3.02 -0.51 -2.19 115.26 118.39 3luj n ASN 551 Ca -0.02 -0.23 -0.17 0.00 -0.03 0.00 0.00 54.58 54.14 3luj n ASN 551 Cb 0.20 -0.21 -0.13 0.00 -0.61 0.00 0.00 39.78 39.03 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 -1.21 1.56 -0.24 2.41 0.31 -0.41 -3.92 118.33 116.84 3luj n VAL 552 Ca 0.13 -0.66 -0.07 0.00 -0.01 0.00 0.00 64.34 63.73 3luj n VAL 552 Cb 0.27 -1.30 0.04 0.00 -0.91 0.00 0.00 33.84 31.94 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 0.02 0.98 -3.22 5.55 4.20 -1.16 -3.41 115.11 118.07 3luj h GLN 553 Ca -0.51 -0.17 -0.43 0.00 0.06 0.00 0.00 58.65 57.60 3luj h GLN 553 Cb 2.01 -0.16 -0.40 0.00 0.30 0.00 0.00 27.48 29.22 3luj h GLN 553 CO -0.01 0.81 -0.75 0.50 -0.67 0.00 0.00 178.83 178.72 3luj s ARG 554 N -5.57 0.10 0.37 1.46 3.00 -0.93 -4.99 118.95 112.39 3luj s ARG 554 Ca -0.13 0.05 -0.03 0.00 -1.00 0.00 0.00 55.73 54.63 3luj s ARG 554 Cb 0.14 -1.36 -0.04 0.00 0.00 0.00 0.00 34.95 33.68 3luj s ARG 554 CO 0.81 -0.53 0.62 0.95 0.00 0.00 0.00 175.30 177.15 3luj s THR 555 N 2.12 5.02 0.06 4.11 -4.23 -1.25 -4.29 115.64 117.17 3luj s THR 555 Ca 0.03 -0.11 0.02 0.00 -1.18 0.00 0.00 61.69 60.45 3luj s THR 555 Cb -0.15 -3.82 -0.03 0.00 1.34 0.00 0.00 72.50 69.84 3luj s THR 555 CO -0.07 -0.57 -0.07 0.42 -0.54 0.00 0.00 174.62 173.79 3luj s THR 556 N -2.37 0.56 0.31 3.99 -4.23 -1.26 -5.04 115.64 107.60 3luj s THR 556 Ca 0.43 -1.40 0.03 0.00 -1.18 0.00 0.00 61.69 59.57 3luj s THR 556 Cb -0.10 -1.01 0.29 0.00 1.34 0.00 0.00 72.50 73.02 3luj s THR 556 CO 0.37 -0.59 1.87 -0.65 -0.54 0.00 0.00 174.62 175.08 3luj h PRO 557 N 3.91 0.89 -0.40 3.99 0.11 -1.99 -0.82 132.00 137.68 3luj h PRO 557 Ca -0.35 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.68 3luj h PRO 557 Cb 1.19 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 3luj h PRO 557 CO 0.50 0.59 0.15 0.37 -0.21 0.00 0.00 178.00 179.40 3luj h GLN 558 N 0.91 0.61 -0.09 1.05 4.15 -1.98 0.36 115.11 120.12 3luj h GLN 558 Ca 0.45 -0.12 -0.17 0.00 0.77 0.00 0.00 58.65 59.59 3luj h GLN 558 Cb 0.48 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 3luj h GLN 558 CO -0.22 0.58 -0.67 1.79 -1.93 0.00 0.00 178.83 178.39 3luj h THR 559 N 0.50 1.37 -0.78 2.39 1.35 -1.85 0.23 112.91 116.12 3luj h THR 559 Ca 0.13 -2.04 -0.04 0.00 -0.55 0.00 0.00 66.41 63.91 3luj h THR 559 Cb 0.21 2.02 -0.03 0.00 -1.73 0.00 0.00 68.15 68.62 3luj h THR 559 CO -0.01 0.61 0.32 -0.07 -0.25 0.00 0.00 175.52 176.13 3luj h LEU 560 N 0.28 1.07 -0.40 3.87 3.38 -1.10 -2.09 115.31 120.32 3luj h LEU 560 Ca -0.02 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 3luj h LEU 560 Cb 1.22 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 3luj h LEU 560 CO 0.11 0.94 0.10 -1.28 0.09 0.00 0.00 178.44 178.40 3luj h SER 561 N 1.12 0.60 -0.76 -0.43 0.87 -0.63 -1.23 113.55 113.08 3luj h SER 561 Ca 0.26 -0.23 0.14 0.00 -1.23 0.00 0.00 61.79 60.73 3luj h SER 561 Cb 0.20 -0.16 -0.10 0.00 -0.44 0.00 0.00 62.40 61.91 3luj h SER 561 CO -0.02 0.68 0.31 0.78 -0.53 0.00 0.00 176.83 178.04 3luj h ASN 562 N 0.50 0.30 -0.28 6.23 -0.26 -0.72 -1.14 115.58 120.20 3luj h ASN 562 Ca 0.13 0.11 -0.08 0.00 -0.56 0.00 0.00 56.30 55.89 3luj h ASN 562 Cb 0.31 0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.64 3luj h ASN 562 CO 0.00 0.11 -0.14 0.25 -1.06 0.00 0.00 177.43 176.59 3luj h LEU 563 N 0.45 0.61 -1.02 1.61 5.85 -0.99 -1.64 115.31 120.18 3luj h LEU 563 Ca 0.42 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3luj h LEU 563 Cb 0.64 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 3luj h LEU 563 CO -0.40 0.89 0.61 0.00 -0.34 0.00 0.00 178.44 179.19 3luj h LEU 565 N 1.30 0.93 -0.56 0.00 3.38 -1.01 -0.17 115.31 119.18 3luj h LEU 565 Ca 0.35 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3luj h LEU 565 Cb -0.11 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.36 3luj h LEU 565 CO -0.07 1.09 0.29 0.11 0.09 0.00 0.00 178.44 179.95 3luj h LYS 566 N 0.77 0.79 -0.57 1.13 1.57 -0.89 -2.39 116.57 116.98 3luj h LYS 566 Ca 0.12 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3luj h LYS 566 Cb 0.69 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 3luj h LYS 566 CO 0.05 0.62 0.16 0.82 -0.57 0.00 0.00 179.45 180.54 3luj h ILE 567 N 0.75 1.22 -0.39 1.86 2.04 -0.99 -2.44 117.51 119.56 3luj h ILE 567 Ca 0.20 -0.78 -0.13 0.00 1.00 0.00 0.00 64.86 65.15 3luj h ILE 567 Cb 0.07 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3luj h ILE 567 CO -0.03 0.30 -0.27 -1.13 0.00 0.00 0.00 178.15 177.02 3luj h ASN 568 N 0.83 0.84 -0.05 1.72 -0.73 -0.76 -0.83 115.58 116.59 3luj h ASN 568 Ca 0.19 -0.33 -0.00 0.00 1.87 0.00 0.00 56.30 58.03 3luj h ASN 568 Cb 0.26 -0.23 -0.00 0.00 0.27 0.00 0.00 38.32 38.62 3luj h ASN 568 CO -0.01 1.06 0.02 0.58 -0.37 0.00 0.00 177.43 178.72 3luj h VAL 569 N 0.70 1.13 0.03 2.57 2.07 -1.35 -1.35 116.25 120.05 3luj h VAL 569 Ca 0.09 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 3luj h VAL 569 Cb 0.80 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3luj h VAL 569 CO 0.07 0.11 -0.02 0.11 0.02 0.00 0.00 177.57 177.86 3luj h LYS 570 N -0.06 -0.05 -0.45 1.57 1.57 -1.09 -2.72 116.57 115.34 3luj h LYS 570 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3luj h LYS 570 Cb 0.15 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3luj h LYS 570 CO -0.00 -0.03 0.00 1.28 -0.57 0.00 0.00 179.45 180.13 3luj n LEU 571 N -5.11 2.40 -0.08 2.94 4.77 -0.35 -4.51 117.00 117.07 3luj n LEU 571 Ca -0.07 -1.20 -0.13 0.00 -0.03 0.00 0.00 56.01 54.57 3luj n LEU 571 Cb 0.05 -0.31 -0.10 0.00 -2.33 0.00 0.00 43.42 40.73 3luj n LEU 571 CO 0.33 0.56 0.07 1.23 -1.33 0.00 0.00 177.39 178.26 3luj h GLY 572 N 5.02 0.00 -1.75 -0.72 0.00 -0.90 -3.49 103.07 101.22 3luj h GLY 572 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3luj h GLY 572 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.17