#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3luj s PHE 442 N 0.00 3.06 -0.22 3.69 5.36 -1.26 -4.99 117.98 123.63 3luj s PHE 442 Ca 0.00 0.96 -0.13 0.00 -0.96 0.00 0.00 56.93 56.80 3luj s PHE 442 Cb 0.00 -3.81 -0.04 0.00 -0.34 0.00 0.00 43.02 38.82 3luj s PHE 442 CO 0.00 -2.72 0.27 -1.01 -1.46 0.00 0.00 175.22 170.30 3luj s HIS 443 N 0.31 3.35 0.64 10.12 3.76 -1.26 -5.08 115.29 127.14 3luj s HIS 443 Ca 0.62 0.42 -0.04 0.00 -0.15 0.00 0.00 55.06 55.91 3luj s HIS 443 Cb -0.41 -2.38 0.05 0.00 1.11 0.00 0.00 32.58 30.94 3luj s HIS 443 CO 0.39 0.05 0.92 0.95 -0.85 0.00 0.00 174.74 176.21 3luj s THR 444 N 1.10 2.52 0.00 1.30 -4.23 -1.26 -4.48 115.64 110.59 3luj s THR 444 Ca 0.13 -0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.26 3luj s THR 444 Cb -0.14 -3.04 0.00 0.00 1.34 0.00 0.00 72.50 70.66 3luj s THR 444 CO 0.06 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 3luj n GLY 445 N -2.70 2.08 3.70 3.99 0.00 -1.26 -5.02 105.19 105.98 3luj n GLY 445 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.32 3.10 -0.15 -0.61 1.01 -1.26 -5.01 121.20 115.96 3luj s ILE 446 Ca 0.00 0.67 -0.01 0.00 0.00 0.00 0.00 60.65 61.31 3luj s ILE 446 Cb 0.00 -3.43 0.04 0.00 0.01 0.00 0.00 42.46 39.08 3luj s ILE 446 CO 0.00 0.02 -0.03 -1.61 0.00 0.00 0.00 174.94 173.32 3luj s GLU 447 N 1.93 1.20 -0.60 2.79 2.02 -1.26 -3.59 118.70 121.18 3luj s GLU 447 Ca 0.69 -0.36 -0.19 0.00 0.02 0.00 0.00 54.97 55.13 3luj s GLU 447 Cb -0.39 -1.78 0.10 0.00 0.10 0.00 0.00 34.13 32.16 3luj s GLU 447 CO 0.31 -0.41 0.74 0.42 0.02 0.00 0.00 175.26 176.34 3luj s ILE 448 N 1.73 4.75 -0.20 -1.63 -1.09 0.15 -4.87 121.20 120.04 3luj s ILE 448 Ca 0.02 -0.92 0.11 0.00 -2.23 0.00 0.00 60.65 57.63 3luj s ILE 448 Cb -0.15 -4.52 -0.20 0.00 -1.58 0.00 0.00 42.46 36.01 3luj s ILE 448 CO -0.07 -1.18 -0.04 0.29 -1.23 0.00 0.00 174.94 172.71 3luj n LYS 449 N 6.51 0.82 -3.89 2.79 5.02 -1.26 -0.82 118.16 127.33 3luj n LYS 449 Ca -0.08 0.04 -0.35 0.00 -2.02 0.00 0.00 58.31 55.90 3luj n LYS 449 Cb 0.43 -1.48 -0.13 0.00 -0.02 0.00 0.00 35.03 33.83 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 -2.46 2.97 0.08 -0.18 1.01 -1.26 -4.82 120.40 115.74 3luj s VAL 450 Ca -0.18 -1.61 -0.11 0.00 0.00 0.00 0.00 61.98 60.09 3luj s VAL 450 Cb 0.07 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.64 3luj s VAL 450 CO 0.69 -0.27 0.23 -1.66 0.00 0.00 0.00 175.10 174.10 3luj s TRP 451 N 1.20 0.05 0.10 5.22 1.48 -1.26 -0.34 118.94 125.39 3luj s TRP 451 Ca -0.01 -0.38 0.03 0.00 -1.06 0.00 0.00 56.10 54.67 3luj s TRP 451 Cb -0.20 0.01 -0.04 0.00 -1.16 0.00 0.00 33.47 32.08 3luj s TRP 451 CO -0.02 -0.54 -0.08 0.00 -4.06 0.00 0.00 176.95 172.25 3luj s ALA 452 N -3.42 1.08 -0.14 2.67 0.00 -0.52 0.02 121.76 121.46 3luj s ALA 452 Ca 0.01 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 50.69 3luj s ALA 452 Cb 0.03 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 3luj s ALA 452 CO -0.09 -0.13 -0.16 0.42 0.00 0.00 0.00 175.76 175.80 3luj s ILE 453 N -3.06 2.71 -0.30 0.00 1.01 0.06 -0.23 121.20 121.38 3luj s ILE 453 Ca 0.09 -0.77 -0.01 0.00 0.00 0.00 0.00 60.65 59.96 3luj s ILE 453 Cb 0.01 -2.13 0.05 0.00 0.01 0.00 0.00 42.46 40.41 3luj s ILE 453 CO -0.02 0.52 -0.01 0.00 0.00 0.00 0.00 174.94 175.44 3luj s ALA 454 N 0.58 2.79 -0.43 9.38 0.00 -0.11 -2.45 121.76 131.52 3luj s ALA 454 Ca -0.09 -1.80 -0.15 0.00 0.00 0.00 0.00 51.96 49.91 3luj s ALA 454 Cb -0.16 -1.91 0.04 0.00 0.00 0.00 0.00 23.12 21.10 3luj s ALA 454 CO 0.03 -1.29 0.32 0.00 0.00 0.00 0.00 175.76 174.83 3luj n PHE 456 N 5.15 0.00 -2.71 0.00 3.72 0.22 -1.16 117.46 122.69 3luj n PHE 456 Ca -0.12 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 56.92 3luj n PHE 456 Cb 0.46 -0.02 -0.06 0.00 -0.94 0.00 0.00 39.48 38.92 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 -2.14 3.17 0.42 4.37 0.00 -1.15 -4.45 121.76 121.99 3luj s ALA 457 Ca 0.31 0.58 -0.26 0.00 0.00 0.00 0.00 51.96 52.59 3luj s ALA 457 Cb 0.20 -3.21 -0.09 0.00 0.00 0.00 0.00 23.12 20.02 3luj s ALA 457 CO 0.38 0.05 1.41 -2.14 0.00 0.00 0.00 175.76 175.46 3luj s PRO 458 N -2.22 3.86 0.24 0.00 0.02 -1.26 -4.79 135.00 130.85 3luj s PRO 458 Ca 0.53 2.39 -0.06 0.00 0.02 0.00 0.00 61.00 63.87 3luj s PRO 458 Cb -0.19 -2.76 0.28 0.00 0.02 0.00 0.00 34.50 31.84 3luj s PRO 458 CO 0.25 -0.66 1.88 0.37 -0.33 0.00 0.00 177.00 178.51 3luj h GLN 459 N 2.58 1.08 0.00 5.54 4.15 -1.94 -0.33 115.11 126.19 3luj h GLN 459 Ca -0.50 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 58.85 3luj h GLN 459 Cb 1.25 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.70 3luj h GLN 459 CO 0.62 0.72 0.00 0.07 -1.93 0.00 0.00 178.83 178.31 3luj h ARG 460 N 1.12 0.00 0.00 1.69 0.11 -2.00 -2.07 114.38 113.22 3luj h ARG 460 Ca 0.36 0.00 -0.37 0.00 0.10 0.00 0.00 59.98 60.07 3luj h ARG 460 Cb 0.01 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.02 3luj h ARG 460 CO -0.12 0.00 -2.38 1.04 0.10 0.00 0.00 179.97 178.61 3luj n GLN 461 N -2.91 0.71 -3.52 0.08 6.02 -0.34 -4.77 117.38 112.65 3luj n GLN 461 Ca -0.02 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.68 3luj n GLN 461 Cb 0.09 -1.52 -0.11 0.00 1.02 0.00 0.00 30.24 29.72 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 0.34 2.25 0.31 0.00 -4.23 -1.10 -4.51 115.64 108.71 3luj s THR 463 Ca 0.24 0.08 0.03 0.00 -1.18 0.00 0.00 61.69 60.86 3luj s THR 463 Cb -0.12 -2.92 0.29 0.00 1.34 0.00 0.00 72.50 71.09 3luj s THR 463 CO -0.08 -0.11 1.88 -0.33 -0.54 0.00 0.00 174.62 175.44 3luj h GLU 464 N -1.26 0.91 -0.09 3.99 5.08 -2.00 -1.18 114.58 120.04 3luj h GLU 464 Ca -0.48 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 57.69 3luj h GLU 464 Cb 1.32 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 3luj h GLU 464 CO 0.63 0.60 -0.51 -0.24 -1.00 0.00 0.00 179.01 178.49 3luj h VAL 465 N 0.94 1.35 -0.32 3.13 3.04 -1.99 0.15 116.25 122.55 3luj h VAL 465 Ca 0.43 -1.77 0.00 0.00 -1.01 0.00 0.00 66.70 64.35 3luj h VAL 465 Cb 0.40 1.85 -0.02 0.00 -2.01 0.00 0.00 31.29 31.51 3luj h VAL 465 CO -0.19 0.52 0.20 0.45 -1.01 0.00 0.00 177.57 177.54 3luj h HIS 466 N 0.19 0.42 -0.69 3.17 3.86 -1.66 -1.51 115.15 118.92 3luj h HIS 466 Ca 0.01 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.15 3luj h HIS 466 Cb 0.97 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 29.27 3luj h HIS 466 CO 0.02 0.29 0.16 -0.07 0.86 0.00 0.00 177.93 179.19 3luj h LEU 467 N 0.42 1.06 -0.41 2.43 3.38 -0.68 -1.32 115.31 120.19 3luj h LEU 467 Ca 0.12 -0.23 -0.18 0.00 0.09 0.00 0.00 57.88 57.68 3luj h LEU 467 Cb -0.01 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 3luj h LEU 467 CO -0.02 1.02 -0.72 0.11 0.09 0.00 0.00 178.44 178.92 3luj h LYS 468 N 1.05 0.42 -0.13 1.13 1.57 -0.94 -1.22 116.57 118.45 3luj h LYS 468 Ca 0.22 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 3luj h LYS 468 Cb 0.38 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3luj h LYS 468 CO 0.00 0.97 0.04 1.03 -0.57 0.00 0.00 179.45 180.93 3luj h SER 469 N 0.29 0.18 -0.53 0.86 0.87 -1.17 -1.76 113.55 112.29 3luj h SER 469 Ca -0.03 -0.19 0.05 0.00 -1.23 0.00 0.00 61.79 60.39 3luj h SER 469 Cb 1.29 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 63.16 3luj h SER 469 CO 0.12 0.33 0.27 0.15 -0.53 0.00 0.00 176.83 177.17 3luj h PHE 470 N 0.03 0.50 -0.36 2.24 3.57 -1.17 -2.20 116.94 119.55 3luj h PHE 470 Ca 0.04 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.57 3luj h PHE 470 Cb 0.21 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 3luj h PHE 470 CO -0.01 0.25 0.22 1.15 -2.23 0.00 0.00 178.31 177.69 3luj h THR 471 N 0.53 1.06 -0.57 4.41 2.02 -1.08 0.12 112.91 119.41 3luj h THR 471 Ca 0.23 -0.16 0.02 0.00 0.77 0.00 0.00 66.41 67.28 3luj h THR 471 Cb 0.13 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 3luj h THR 471 CO -0.16 0.08 0.36 -0.08 0.37 0.00 0.00 175.52 176.09 3luj h GLU 472 N 0.45 0.69 -0.66 6.66 4.57 -1.09 0.24 114.58 125.46 3luj h GLU 472 Ca 0.14 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.23 3luj h GLU 472 Cb -0.02 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.38 3luj h GLU 472 CO -0.05 0.46 0.23 1.96 -1.18 0.00 0.00 179.01 180.43 3luj h GLN 473 N 0.72 1.00 -0.51 1.92 1.08 -0.95 -1.58 115.11 116.79 3luj h GLN 473 Ca 0.22 -0.20 -0.04 0.00 -1.45 0.00 0.00 58.65 57.18 3luj h GLN 473 Cb -0.02 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.24 3luj h GLN 473 CO -0.08 0.86 0.15 1.25 -0.95 0.00 0.00 178.83 180.06 3luj h LEU 474 N 0.94 0.75 -0.37 1.46 5.85 -0.37 -2.64 115.31 120.92 3luj h LEU 474 Ca 0.22 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.80 3luj h LEU 474 Cb 0.25 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 3luj h LEU 474 CO -0.01 0.77 -0.13 -0.09 -0.34 0.00 0.00 178.44 178.64 3luj h ARG 475 N 0.70 -0.05 0.30 1.25 1.12 -0.28 -1.15 114.38 116.28 3luj h ARG 475 Ca 0.16 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 59.02 3luj h ARG 475 Cb 0.29 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.26 3luj h ARG 475 CO -0.00 -0.03 -0.15 0.87 -3.11 0.00 0.00 179.97 177.55 3luj h LYS 476 N -0.05 -0.39 -0.24 0.20 1.57 -1.12 -1.49 116.57 115.06 3luj h LYS 476 Ca 0.18 0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.87 3luj h LYS 476 Cb 0.33 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3luj h LYS 476 CO -0.41 -0.24 -0.36 0.97 -0.57 0.00 0.00 179.45 178.84 3luj h ILE 477 N -0.44 1.29 -0.52 1.86 2.10 -1.38 -1.38 117.51 119.04 3luj h ILE 477 Ca -0.04 -1.49 -0.09 0.00 1.08 0.00 0.00 64.86 64.31 3luj h ILE 477 Cb 0.33 1.51 -0.02 0.00 -1.09 0.00 0.00 36.82 37.55 3luj h ILE 477 CO 0.07 0.47 -0.05 0.77 -1.08 0.00 0.00 178.15 178.33 3luj h SER 478 N 0.44 0.90 -0.10 2.19 4.64 -1.18 -0.98 113.55 119.47 3luj h SER 478 Ca 0.05 -0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.10 3luj h SER 478 Cb 0.84 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3luj h SER 478 CO 0.07 0.98 0.04 -0.09 -0.87 0.00 0.00 176.83 176.96 3luj h ARG 479 N 0.83 0.14 -0.63 4.77 2.43 -0.97 0.51 114.38 121.46 3luj h ARG 479 Ca 0.15 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 3luj h ARG 479 Cb 0.56 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 3luj h ARG 479 CO 0.03 0.25 0.35 -0.44 -1.51 0.00 0.00 179.97 178.65 3luj h ASP 480 N 0.00 0.77 -0.14 -3.80 3.32 -1.00 -1.41 116.42 114.17 3luj h ASP 480 Ca 0.03 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3luj h ASP 480 Cb 0.16 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3luj h ASP 480 CO -0.00 0.62 0.00 0.00 -1.72 0.00 0.00 179.24 178.14 3luj n ALA 481 N -2.44 2.51 -2.65 3.45 0.00 -0.39 -4.90 120.51 116.08 3luj n ALA 481 Ca 0.06 -0.32 -0.15 0.00 0.00 0.00 0.00 53.44 53.03 3luj n ALA 481 Cb 0.10 -1.08 0.02 0.00 0.00 0.00 0.00 19.45 18.48 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 0.87 -0.15 2.32 0.00 0.00 -0.53 -4.94 105.19 102.77 3luj n GLY 482 Ca 0.10 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.81 1.36 -1.68 1.61 0.00 0.14 -4.28 117.12 111.45 3luj n MET 483 Ca -0.10 -3.65 -0.49 0.00 0.00 0.00 0.00 57.70 53.46 3luj n MET 483 Cb 0.59 -1.73 -0.05 0.00 0.00 0.00 0.00 33.22 32.03 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 0.42 2.06 -3.46 3.17 -0.04 -1.15 -4.50 135.00 131.49 3luj n PRO 484 Ca 0.25 0.75 -0.38 0.00 -0.04 0.00 0.00 63.50 64.09 3luj n PRO 484 Cb 0.58 -2.58 -0.09 0.00 -0.04 0.00 0.00 33.50 31.37 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 3.90 5.23 0.30 0.52 1.01 -1.26 -0.68 121.20 130.23 3luj s ILE 485 Ca 0.93 0.48 -0.29 0.00 0.00 0.00 0.00 60.65 61.76 3luj s ILE 485 Cb -0.74 -3.65 -0.13 0.00 0.01 0.00 0.00 42.46 37.96 3luj s ILE 485 CO 0.53 0.22 1.35 1.67 0.00 0.00 0.00 174.94 178.71 3luj n GLN 486 N 4.91 2.12 0.30 2.79 7.27 0.00 -4.60 117.38 130.18 3luj n GLN 486 Ca -0.10 0.75 0.17 0.00 0.07 0.00 0.00 57.00 57.88 3luj n GLN 486 Cb 0.51 -2.37 0.97 0.00 2.41 0.00 0.00 30.24 31.76 3luj n GLN 486 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 3luj h GLY 487 N 3.26 0.00 -7.64 1.69 0.00 -1.93 -3.40 103.07 95.05 3luj h GLY 487 Ca -0.46 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.18 3luj h GLY 487 CO 0.68 0.00 -0.62 1.62 0.00 0.00 0.00 176.54 178.22 3luj s GLN 488 N -4.45 2.33 0.57 4.80 2.00 -1.26 -4.88 119.66 118.77 3luj s GLN 488 Ca -0.05 -1.44 -0.20 0.00 -2.00 0.00 0.00 55.36 51.67 3luj s GLN 488 Cb 0.14 -3.40 -0.04 0.00 0.80 0.00 0.00 33.01 30.51 3luj s GLN 488 CO 0.52 -0.80 1.23 -1.25 -0.50 0.00 0.00 175.29 174.49 3luj s PRO 489 N 1.25 3.11 0.00 1.67 0.04 -1.26 -4.79 135.00 135.02 3luj s PRO 489 Ca 0.00 1.90 0.24 0.00 0.04 0.00 0.00 61.00 63.18 3luj s PRO 489 Cb -0.21 -2.06 1.03 0.00 0.04 0.00 0.00 34.50 33.30 3luj s PRO 489 CO -0.01 -1.11 1.77 0.00 0.04 0.00 0.00 177.00 177.68 3luj s PHE 491 N -2.98 -0.70 -0.26 0.00 5.36 -1.26 -5.05 117.98 113.10 3luj s PHE 491 Ca 0.12 1.59 -0.02 0.00 -0.96 0.00 0.00 56.93 57.66 3luj s PHE 491 Cb 0.16 0.37 0.14 0.00 -0.34 0.00 0.00 43.02 43.35 3luj s PHE 491 CO 0.43 -0.34 0.41 0.00 -1.46 0.00 0.00 175.22 174.27 3luj s LYS 493 N 2.59 0.70 0.15 0.00 1.02 -1.03 -5.00 119.74 118.17 3luj s LYS 493 Ca 0.14 -1.12 -0.08 0.00 0.02 0.00 0.00 55.97 54.92 3luj s LYS 493 Cb -0.15 0.26 -0.06 0.00 -0.52 0.00 0.00 37.83 37.36 3luj s LYS 493 CO -0.18 -0.17 0.44 0.71 -0.92 0.00 0.00 175.35 175.23 3luj s TYR 494 N -3.90 3.49 0.11 3.18 2.02 -1.26 -1.54 117.35 119.45 3luj s TYR 494 Ca 0.06 0.72 -0.11 0.00 -0.37 0.00 0.00 57.07 57.38 3luj s TYR 494 Cb 0.07 -2.13 0.01 0.00 -0.40 0.00 0.00 41.96 39.51 3luj s TYR 494 CO -0.10 0.41 0.25 0.00 -1.57 0.00 0.00 175.55 174.54 3luj s ALA 495 N -1.62 -0.39 -0.03 3.71 0.00 -0.30 -4.92 121.76 118.19 3luj s ALA 495 Ca 0.40 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.89 3luj s ALA 495 Cb -0.12 0.57 0.01 0.00 0.00 0.00 0.00 23.12 23.58 3luj s ALA 495 CO 0.22 -0.56 -0.06 -1.14 0.00 0.00 0.00 175.76 174.21 3luj s GLN 496 N -3.86 0.88 0.00 0.00 2.00 -1.26 -4.11 119.66 113.31 3luj s GLN 496 Ca 0.05 -0.20 0.00 0.00 -2.00 0.00 0.00 55.36 53.22 3luj s GLN 496 Cb 0.04 -0.84 0.00 0.00 0.80 0.00 0.00 33.01 33.01 3luj s GLN 496 CO -0.10 0.01 0.00 0.41 -0.50 0.00 0.00 175.29 175.11 3luj n GLY 497 N 3.66 0.07 0.40 2.59 0.00 -1.26 -4.26 105.19 106.39 3luj n GLY 497 Ca -0.22 -1.46 0.19 0.00 0.00 0.00 0.00 46.02 44.53 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 2.22 0.00 4.61 0.00 -1.92 -0.22 119.26 123.95 3luj h ALA 498 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3luj h ALA 498 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3luj h ALA 498 CO 0.00 -0.48 0.00 0.38 0.00 0.00 0.00 179.25 179.15 3luj h ASP 499 N 0.38 0.00 0.92 0.00 -0.00 -1.98 -2.15 116.42 113.59 3luj h ASP 499 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.46 3luj h ASP 499 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.44 3luj h ASP 499 CO -0.15 0.00 -0.53 -1.20 -0.00 0.00 0.00 179.24 177.36 3luj n SER 500 N -2.46 0.69 0.42 4.15 7.64 -0.09 -4.43 113.62 119.54 3luj n SER 500 Ca 0.00 0.16 -0.19 0.00 1.01 0.00 0.00 58.87 59.85 3luj n SER 500 Cb 0.16 0.04 -0.10 0.00 -1.01 0.00 0.00 64.21 63.30 3luj n SER 500 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3luj h VAL 501 N 0.00 0.07 -0.54 0.44 2.07 -1.47 -2.86 116.25 113.96 3luj h VAL 501 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3luj h VAL 501 Cb 0.72 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3luj h VAL 501 CO 0.00 0.00 0.17 -0.08 0.02 0.00 0.00 177.57 177.68 3luj h GLU 502 N -1.16 0.84 -0.86 1.57 4.81 -1.77 -1.07 114.58 116.94 3luj h GLU 502 Ca -0.10 -0.18 0.07 0.00 -0.13 0.00 0.00 59.36 59.02 3luj h GLU 502 Cb 0.92 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 30.12 3luj h GLU 502 CO 0.12 0.76 0.52 -1.35 -0.73 0.00 0.00 179.01 178.33 3luj h PRO 503 N 0.75 0.91 -0.21 0.92 0.11 -1.81 -0.81 132.00 131.84 3luj h PRO 503 Ca 0.17 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.12 3luj h PRO 503 Cb 0.27 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.18 3luj h PRO 503 CO -0.01 0.60 -0.29 1.98 -0.21 0.00 0.00 178.00 180.08 3luj h MET 504 N 0.93 0.57 -0.58 1.05 1.85 -1.19 -2.59 114.93 114.97 3luj h MET 504 Ca 0.38 -0.33 -0.08 0.00 -0.61 0.00 0.00 59.70 59.06 3luj h MET 504 Cb 0.22 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.25 3luj h MET 504 CO -0.19 0.93 0.04 0.74 -0.40 0.00 0.00 176.91 178.03 3luj h PHE 505 N 0.25 1.07 -0.67 1.39 -1.00 -1.03 0.02 116.94 116.98 3luj h PHE 505 Ca 0.02 -0.17 0.05 0.00 2.81 0.00 0.00 57.97 60.68 3luj h PHE 505 Cb 0.86 -0.29 -0.05 0.00 3.61 0.00 0.00 35.95 40.09 3luj h PHE 505 CO 0.08 0.95 0.39 0.00 -1.61 0.00 0.00 178.31 178.13 3luj h ARG 506 N 0.89 0.72 -0.22 1.51 3.08 -1.19 0.14 114.38 119.30 3luj h ARG 506 Ca 0.17 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 3luj h ARG 506 Cb 0.50 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3luj h ARG 506 CO 0.02 0.47 0.14 1.25 -1.07 0.00 0.00 179.97 180.78 3luj h HIS 507 N 0.74 0.29 -0.17 3.04 2.76 -1.02 -0.96 115.15 119.83 3luj h HIS 507 Ca 0.29 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 3luj h HIS 507 Cb 0.13 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 3luj h HIS 507 CO -0.07 0.22 0.11 -0.07 -1.30 0.00 0.00 177.93 176.82 3luj h LEU 508 N 0.27 0.19 -0.39 0.26 3.38 -0.51 -0.94 115.31 117.58 3luj h LEU 508 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3luj h LEU 508 Cb 0.01 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3luj h LEU 508 CO -0.02 0.14 0.26 0.50 0.09 0.00 0.00 178.44 179.41 3luj h LYS 509 N 0.22 0.52 0.00 1.13 3.64 -0.63 -2.05 116.57 119.40 3luj h LYS 509 Ca 0.06 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3luj h LYS 509 Cb -0.02 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3luj h LYS 509 CO -0.01 0.35 0.00 -0.91 -2.27 0.00 0.00 179.45 176.60 3luj h ASN 510 N 0.53 0.00 0.00 4.20 2.35 -1.02 -3.35 115.58 118.29 3luj h ASN 510 Ca 0.14 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.55 3luj h ASN 510 Cb -0.06 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.25 3luj h ASN 510 CO -0.03 0.00 -2.30 0.41 -1.65 0.00 0.00 177.43 173.86 3luj n THR 511 N -2.51 1.31 -3.63 2.81 -1.04 -0.37 -4.87 114.28 105.98 3luj n THR 511 Ca 0.04 -0.57 -0.39 0.00 -2.04 0.00 0.00 64.05 61.09 3luj n THR 511 Cb 0.39 -1.13 -0.09 0.00 -1.82 0.00 0.00 70.33 67.68 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 -2.46 3.49 0.22 -1.42 1.51 -0.79 -5.06 117.35 112.85 3luj s TYR 512 Ca -0.26 -2.18 -0.30 0.00 -1.01 0.00 0.00 57.07 53.31 3luj s TYR 512 Cb 0.07 -3.39 -0.10 0.00 -0.11 0.00 0.00 41.96 38.44 3luj s TYR 512 CO 0.59 -0.96 1.42 0.00 -1.11 0.00 0.00 175.55 175.49 3luj s ALA 513 N 0.99 3.62 0.00 3.71 0.00 -1.26 -2.49 121.76 126.33 3luj s ALA 513 Ca 0.09 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.33 3luj s ALA 513 Cb -0.23 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.34 3luj s ALA 513 CO -0.03 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.44 3luj n GLY 514 N 2.44 0.84 3.69 0.00 0.00 -1.26 -4.99 105.19 105.91 3luj n GLY 514 Ca 0.08 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.52 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 2.17 -0.09 0.99 0.00 -1.04 -4.59 117.00 114.45 3luj n LEU 515 Ca 0.00 1.09 -0.08 0.00 0.00 0.00 0.00 56.01 57.01 3luj n LEU 515 Cb 0.00 -1.13 -0.15 0.00 0.00 0.00 0.00 43.42 42.14 3luj n LEU 515 CO 0.00 -0.57 -1.11 0.00 0.00 0.00 0.00 177.39 175.71 3luj n GLN 516 N 4.82 0.84 -3.63 1.96 6.02 0.54 -4.96 117.38 122.96 3luj n GLN 516 Ca 0.25 -0.02 -0.13 0.00 -0.01 0.00 0.00 57.00 57.09 3luj n GLN 516 Cb 0.13 -1.49 -0.07 0.00 1.02 0.00 0.00 30.24 29.82 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 -5.37 -0.76 -0.23 1.08 0.20 -1.23 -4.47 118.68 107.91 3luj s LEU 517 Ca -0.09 1.44 -0.04 0.00 0.69 0.00 0.00 54.13 56.13 3luj s LEU 517 Cb 0.06 2.45 -0.00 0.00 -0.43 0.00 0.00 46.19 48.27 3luj s LEU 517 CO 0.79 -0.25 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.89 3luj s VAL 518 N 0.46 3.42 -0.27 1.68 1.01 -0.78 -1.44 120.40 124.48 3luj s VAL 518 Ca -0.01 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.24 3luj s VAL 518 Cb -0.05 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 3luj s VAL 518 CO -0.01 0.36 0.52 -0.69 0.00 0.00 0.00 175.10 175.28 3luj s VAL 519 N 1.47 5.05 -0.24 2.92 1.01 0.67 -1.00 120.40 130.29 3luj s VAL 519 Ca 0.05 0.82 -0.05 0.00 0.00 0.00 0.00 61.98 62.81 3luj s VAL 519 Cb -0.15 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 3luj s VAL 519 CO -0.03 0.04 -0.01 -0.69 0.00 0.00 0.00 175.10 174.42 3luj s VAL 520 N 2.34 3.56 -0.19 2.92 1.01 0.24 -0.94 120.40 129.34 3luj s VAL 520 Ca 0.21 -0.53 -0.16 0.00 0.00 0.00 0.00 61.98 61.51 3luj s VAL 520 Cb -0.16 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 3luj s VAL 520 CO 0.10 0.33 0.40 -0.63 0.00 0.00 0.00 175.10 175.30 3luj s ILE 521 N 1.49 5.20 -0.12 2.22 1.09 -0.21 -0.86 121.20 130.00 3luj s ILE 521 Ca 0.05 0.73 -0.01 0.00 -1.10 0.00 0.00 60.65 60.32 3luj s ILE 521 Cb -0.15 -3.73 -0.02 0.00 -1.06 0.00 0.00 42.46 37.50 3luj s ILE 521 CO -0.01 0.27 -0.10 -0.76 -0.10 0.00 0.00 174.94 174.23 3luj s LEU 522 N 1.20 2.89 -1.38 2.97 1.43 -0.33 -0.61 118.68 124.85 3luj s LEU 522 Ca 0.20 -0.24 -0.16 0.00 -1.03 0.00 0.00 54.13 52.90 3luj s LEU 522 Cb -0.15 -1.66 0.06 0.00 0.03 0.00 0.00 46.19 44.48 3luj s LEU 522 CO 0.08 0.20 2.00 -0.81 0.23 0.00 0.00 176.35 178.05 3luj n PRO 523 N 3.29 3.03 0.00 1.29 -0.04 -1.26 -1.11 135.00 140.20 3luj n PRO 523 Ca -0.18 -2.94 0.00 0.00 -0.04 0.00 0.00 63.50 60.34 3luj n PRO 523 Cb 0.53 -3.36 0.00 0.00 -0.04 0.00 0.00 33.50 30.62 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 4.61 -0.24 3.70 0.55 0.00 -1.26 -4.71 105.19 107.85 3luj n GLY 524 Ca 0.50 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 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 4.37 -0.15 1.61 3.01 -1.26 -4.99 119.74 122.33 3luj s LYS 525 Ca 0.00 1.84 -0.28 0.00 -1.01 0.00 0.00 55.97 56.52 3luj s LYS 525 Cb 0.00 -3.42 0.07 0.00 -1.01 0.00 0.00 37.83 33.47 3luj s LYS 525 CO 0.00 -0.39 0.70 -0.08 0.51 0.00 0.00 175.35 176.09 3luj s THR 526 N 1.59 0.00 0.14 2.17 -1.32 -1.26 -5.00 115.64 111.97 3luj s THR 526 Ca 0.60 0.00 0.32 0.00 -1.21 0.00 0.00 61.69 61.40 3luj s THR 526 Cb -0.30 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.01 3luj s THR 526 CO 0.27 0.00 1.97 -0.65 -2.21 0.00 0.00 174.62 174.00 3luj h PRO 527 N 3.89 0.00 -0.96 7.08 0.11 -1.99 -2.25 132.00 137.88 3luj h PRO 527 Ca -0.28 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.97 3luj h PRO 527 Cb 1.15 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.17 3luj h PRO 527 CO 0.24 0.00 0.58 0.28 -0.21 0.00 0.00 178.00 178.89 3luj h VAL 528 N 0.00 0.83 -0.12 3.15 2.07 -1.94 -2.77 116.25 117.47 3luj h VAL 528 Ca 0.00 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.24 3luj h VAL 528 Cb 0.06 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.72 3luj h VAL 528 CO 0.00 0.16 0.04 0.22 0.02 0.00 0.00 177.57 178.00 3luj h TYR 529 N 0.86 0.07 -0.97 1.57 3.20 -1.79 -0.37 116.97 119.54 3luj h TYR 529 Ca 0.51 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.44 3luj h TYR 529 Cb 0.61 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.81 3luj h TYR 529 CO -0.02 0.03 0.63 0.00 -1.64 0.00 0.00 178.16 177.16 3luj h ALA 530 N 1.07 1.43 -0.30 1.82 0.00 -1.69 -2.29 119.26 119.31 3luj h ALA 530 Ca 0.05 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 3luj h ALA 530 Cb 0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3luj h ALA 530 CO -0.06 0.44 -0.37 1.49 0.00 0.00 0.00 179.25 180.75 3luj h GLU 531 N 1.14 0.78 -0.46 0.00 4.57 -1.23 -0.54 114.58 118.84 3luj h GLU 531 Ca 0.41 -0.44 0.06 0.00 -1.18 0.00 0.00 59.36 58.21 3luj h GLU 531 Cb 0.14 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.70 3luj h GLU 531 CO -0.15 1.07 0.15 0.28 -1.18 0.00 0.00 179.01 179.17 3luj h VAL 532 N 0.54 0.83 -0.34 0.32 2.07 -0.69 0.13 116.25 119.11 3luj h VAL 532 Ca 0.04 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 67.36 3luj h VAL 532 Cb 0.96 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3luj h VAL 532 CO 0.09 0.06 -0.15 0.11 0.02 0.00 0.00 177.57 177.70 3luj h LYS 533 N 0.31 0.70 -0.11 1.57 1.79 -1.34 0.22 116.57 119.71 3luj h LYS 533 Ca 0.22 -0.30 0.03 0.00 -2.18 0.00 0.00 60.65 58.42 3luj h LYS 533 Cb 0.23 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.83 3luj h LYS 533 CO -0.24 0.90 -0.10 -0.09 -1.08 0.00 0.00 179.45 178.84 3luj h ARG 534 N 0.48 -0.11 -0.28 3.15 2.43 -0.76 0.30 114.38 119.60 3luj h ARG 534 Ca 0.08 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 3luj h ARG 534 Cb 0.68 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 3luj h ARG 534 CO 0.05 -0.07 -0.15 0.28 -1.51 0.00 0.00 179.97 178.57 3luj h VAL 535 N -0.11 1.30 0.09 0.20 2.07 -0.64 -0.90 116.25 118.25 3luj h VAL 535 Ca 0.08 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 3luj h VAL 535 Cb 0.22 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3luj h VAL 535 CO -0.18 0.40 -0.04 1.23 0.02 0.00 0.00 177.57 178.99 3luj h GLY 536 N 0.32 -0.13 1.68 2.17 0.00 -0.51 0.28 103.07 106.89 3luj h GLY 536 Ca 0.06 0.05 -0.24 0.00 0.00 0.00 0.00 47.33 47.19 3luj h GLY 536 CO 0.04 -0.05 -1.10 -0.55 0.00 0.00 0.00 176.54 174.89 3luj h ASP 537 N -0.65 0.37 0.00 0.19 3.32 -0.49 0.29 116.42 119.45 3luj h ASP 537 Ca -0.01 -0.36 -0.15 0.00 0.02 0.00 0.00 57.03 56.53 3luj h ASP 537 Cb 0.52 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 3luj h ASP 537 CO 0.02 1.23 -1.55 0.41 -1.72 0.00 0.00 179.24 177.63 3luj n THR 538 N -3.58 0.55 -0.06 0.35 -1.04 -0.55 -4.46 114.28 105.49 3luj n THR 538 Ca -0.06 -0.18 -0.11 0.00 -2.04 0.00 0.00 64.05 61.65 3luj n THR 538 Cb 0.94 -1.11 -0.10 0.00 -1.82 0.00 0.00 70.33 68.24 3luj n THR 538 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3luj h VAL 539 N -0.12 1.37 0.00 12.58 2.07 -1.03 -3.42 116.25 127.70 3luj h VAL 539 Ca -0.23 -1.98 0.00 0.00 0.82 0.00 0.00 66.70 65.31 3luj h VAL 539 Cb 1.29 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 33.64 3luj h VAL 539 CO -0.08 0.46 -1.15 0.18 0.02 0.00 0.00 177.57 177.01 3luj n LEU 540 N -4.67 0.14 -3.00 2.57 4.77 0.98 -5.04 117.00 112.75 3luj n LEU 540 Ca -0.08 -0.16 -0.14 0.00 -0.03 0.00 0.00 56.01 55.61 3luj n LEU 540 Cb 0.36 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.52 3luj n LEU 540 CO 0.27 0.04 0.07 0.61 -1.33 0.00 0.00 177.39 177.04 3luj n GLY 541 N 1.71 -0.41 3.19 -0.72 0.00 -0.18 -5.04 105.19 103.75 3luj n GLY 541 Ca -0.01 0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -4.84 2.55 0.25 1.61 -1.94 -0.08 -5.02 119.30 111.84 3luj s MET 542 Ca 0.12 -0.79 -0.30 0.00 -1.71 0.00 0.00 55.69 53.01 3luj s MET 542 Cb -0.02 -2.04 -0.10 0.00 2.01 0.00 0.00 34.83 34.69 3luj s MET 542 CO 0.61 0.22 1.43 0.00 -0.01 0.00 0.00 175.02 177.28 3luj s ALA 543 N 0.20 3.62 0.03 3.03 0.00 -1.26 -4.40 121.76 122.98 3luj s ALA 543 Ca -0.12 1.33 0.03 0.00 0.00 0.00 0.00 51.96 53.20 3luj s ALA 543 Cb -0.16 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.39 3luj s ALA 543 CO 0.06 -0.74 -0.10 0.95 0.00 0.00 0.00 175.76 175.93 3luj s THR 544 N -0.06 0.74 -0.14 0.00 -4.23 -1.26 -1.86 115.64 108.82 3luj s THR 544 Ca 0.59 -0.91 -0.01 0.00 -1.18 0.00 0.00 61.69 60.18 3luj s THR 544 Cb -0.42 -0.72 0.04 0.00 1.34 0.00 0.00 72.50 72.74 3luj s THR 544 CO 0.44 -0.16 -0.02 -1.58 -0.54 0.00 0.00 174.62 172.76 3luj s GLN 545 N -1.18 1.04 0.25 3.99 2.00 -0.17 -4.93 119.66 120.66 3luj s GLN 545 Ca -0.03 -0.31 -0.14 0.00 -2.00 0.00 0.00 55.36 52.87 3luj s GLN 545 Cb -0.08 -1.73 -0.08 0.00 0.80 0.00 0.00 33.01 31.92 3luj s GLN 545 CO 0.01 -0.44 0.66 0.00 -0.50 0.00 0.00 175.29 175.02 3luj s VAL 547 N -1.78 0.03 0.20 0.00 0.11 -0.04 -4.90 120.40 114.02 3luj s VAL 547 Ca 0.48 -0.26 -0.30 0.00 -2.93 0.00 0.00 61.98 58.97 3luj s VAL 547 Cb -0.12 -0.33 -0.08 0.00 -1.53 0.00 0.00 36.38 34.32 3luj s VAL 547 CO 0.19 -0.14 1.11 -1.10 -3.33 0.00 0.00 175.10 171.83 3luj s GLN 548 N -0.47 4.59 0.31 1.54 -0.21 -1.26 -1.18 119.66 122.98 3luj s GLN 548 Ca -0.06 1.75 0.08 0.00 0.02 0.00 0.00 55.36 57.16 3luj s GLN 548 Cb -0.04 -3.26 0.84 0.00 1.00 0.00 0.00 33.01 31.56 3luj s GLN 548 CO 0.01 0.08 1.74 1.98 -2.12 0.00 0.00 175.29 176.98 3luj h MET 549 N 4.89 0.62 -0.06 2.91 1.85 -1.47 -1.56 114.93 122.12 3luj h MET 549 Ca -0.45 -0.04 -0.06 0.00 -0.61 0.00 0.00 59.70 58.54 3luj h MET 549 Cb 1.21 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 33.09 3luj h MET 549 CO 0.72 0.41 -0.25 1.57 -0.40 0.00 0.00 176.91 178.96 3luj h LYS 550 N 0.64 0.09 -0.00 0.39 2.10 -1.92 -0.74 116.57 117.15 3luj h LYS 550 Ca 0.62 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 59.25 3luj h LYS 550 Cb 1.12 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 3luj h LYS 550 CO -0.45 0.34 -0.02 0.09 -2.00 0.00 0.00 179.45 177.41 3luj n ASN 551 N -4.21 0.09 -0.06 7.07 5.03 -0.60 -1.27 115.26 121.31 3luj n ASN 551 Ca -0.02 -0.33 -0.16 0.00 0.87 0.00 0.00 54.58 54.94 3luj n ASN 551 Cb 0.32 -0.21 -0.14 0.00 -1.02 0.00 0.00 39.78 38.74 3luj n ASN 551 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 3luj n VAL 552 N -1.19 1.59 -0.01 2.41 0.31 -0.41 -3.85 118.33 117.19 3luj n VAL 552 Ca 0.15 -0.68 -0.08 0.00 -0.01 0.00 0.00 64.34 63.72 3luj n VAL 552 Cb 0.23 -1.32 0.09 0.00 -0.91 0.00 0.00 33.84 31.93 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 0.57 -3.35 5.55 4.20 -1.09 -3.40 115.11 117.62 3luj h GLN 553 Ca -0.48 -0.31 -0.59 0.00 0.06 0.00 0.00 58.65 57.33 3luj h GLN 553 Cb 2.02 0.02 -0.40 0.00 0.30 0.00 0.00 27.48 29.42 3luj h GLN 553 CO 0.02 0.91 -0.76 1.03 -0.67 0.00 0.00 178.83 179.36 3luj s ARG 554 N -4.17 0.88 0.38 1.46 0.52 -0.40 -5.08 118.95 112.55 3luj s ARG 554 Ca -0.07 -1.38 -0.19 0.00 -0.52 0.00 0.00 55.73 53.57 3luj s ARG 554 Cb 0.12 -2.07 -0.10 0.00 0.52 0.00 0.00 34.95 33.42 3luj s ARG 554 CO 0.83 -1.05 0.86 0.95 0.02 0.00 0.00 175.30 176.91 3luj s THR 555 N 1.20 4.50 0.07 0.02 -4.23 -1.25 -4.40 115.64 111.56 3luj s THR 555 Ca 0.13 1.29 0.01 0.00 -1.18 0.00 0.00 61.69 61.94 3luj s THR 555 Cb -0.20 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 69.97 3luj s THR 555 CO -0.16 -0.23 -0.06 0.42 -0.54 0.00 0.00 174.62 174.06 3luj s THR 556 N -2.06 0.54 0.22 3.99 -4.23 -1.26 -5.05 115.64 107.78 3luj s THR 556 Ca 0.58 -1.67 -0.08 0.00 -1.18 0.00 0.00 61.69 59.34 3luj s THR 556 Cb -0.10 -1.34 0.16 0.00 1.34 0.00 0.00 72.50 72.56 3luj s THR 556 CO 0.15 -0.77 1.76 -0.65 -0.54 0.00 0.00 174.62 174.57 3luj h PRO 557 N 3.42 0.48 -0.74 3.99 0.11 -1.99 -1.72 132.00 135.55 3luj h PRO 557 Ca -0.35 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.74 3luj h PRO 557 Cb 1.17 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 3luj h PRO 557 CO 0.59 0.31 0.49 1.96 -0.21 0.00 0.00 178.00 181.14 3luj h GLN 558 N 0.49 0.97 -0.09 1.05 4.20 -1.99 0.61 115.11 120.36 3luj h GLN 558 Ca 0.33 -0.06 -0.18 0.00 0.06 0.00 0.00 58.65 58.81 3luj h GLN 558 Cb 0.39 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3luj h GLN 558 CO -0.30 0.65 -0.70 1.79 -0.67 0.00 0.00 178.83 179.60 3luj h THR 559 N 1.00 1.37 -0.59 -0.54 1.35 -1.91 -0.45 112.91 113.14 3luj h THR 559 Ca 0.27 -2.10 -0.10 0.00 -0.55 0.00 0.00 66.41 63.94 3luj h THR 559 Cb -0.11 2.07 -0.02 0.00 -1.73 0.00 0.00 68.15 68.36 3luj h THR 559 CO -0.06 0.63 -0.02 -0.07 -0.25 0.00 0.00 175.52 175.75 3luj h LEU 560 N 0.28 1.04 -0.22 3.87 3.38 -1.08 -1.91 115.31 120.66 3luj h LEU 560 Ca -0.02 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3luj h LEU 560 Cb 1.27 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3luj h LEU 560 CO 0.12 1.09 0.14 -1.28 0.09 0.00 0.00 178.44 178.61 3luj h SER 561 N 0.96 0.26 -0.59 -0.43 0.87 -0.68 -0.18 113.55 113.75 3luj h SER 561 Ca 0.17 -0.02 0.11 0.00 -1.23 0.00 0.00 61.79 60.82 3luj h SER 561 Cb 0.58 -0.07 -0.09 0.00 -0.44 0.00 0.00 62.40 62.38 3luj h SER 561 CO 0.03 0.20 0.10 0.78 -0.53 0.00 0.00 176.83 177.42 3luj h ASN 562 N 0.29 -0.05 -0.16 6.23 -0.26 -0.93 -0.74 115.58 119.97 3luj h ASN 562 Ca 0.08 0.12 -0.02 0.00 -0.56 0.00 0.00 56.30 55.92 3luj h ASN 562 Cb -0.02 0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.41 3luj h ASN 562 CO -0.02 -0.01 0.01 0.25 -1.06 0.00 0.00 177.43 176.60 3luj h LEU 563 N 0.23 0.26 -1.17 1.61 5.85 -0.85 -2.20 115.31 119.03 3luj h LEU 563 Ca 0.31 -0.28 0.07 0.00 0.84 0.00 0.00 57.88 58.81 3luj h LEU 563 Cb 0.47 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 3luj h LEU 563 CO -0.42 0.48 0.58 0.00 -0.34 0.00 0.00 178.44 178.74 3luj h LEU 565 N 1.00 0.86 -0.61 0.00 3.38 -0.92 0.01 115.31 119.04 3luj h LEU 565 Ca 0.38 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3luj h LEU 565 Cb 0.21 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3luj h LEU 565 CO -0.14 1.07 0.36 0.11 0.09 0.00 0.00 178.44 179.93 3luj h LYS 566 N 0.72 0.83 -0.43 1.13 1.57 -0.92 -2.20 116.57 117.27 3luj h LYS 566 Ca 0.09 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 3luj h LYS 566 Cb 0.80 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 3luj h LYS 566 CO 0.07 0.60 -0.21 0.82 -0.57 0.00 0.00 179.45 180.15 3luj h ILE 567 N 0.82 1.27 -0.84 1.86 2.04 -1.06 -2.54 117.51 119.07 3luj h ILE 567 Ca 0.22 -1.35 -0.03 0.00 1.00 0.00 0.00 64.86 64.70 3luj h ILE 567 Cb -0.01 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 3luj h ILE 567 CO -0.04 0.46 0.42 -1.13 0.00 0.00 0.00 178.15 177.86 3luj h ASN 568 N 0.75 1.08 -0.26 1.72 -0.73 -0.74 -1.17 115.58 116.24 3luj h ASN 568 Ca 0.10 -0.13 -0.01 0.00 1.87 0.00 0.00 56.30 58.13 3luj h ASN 568 Cb 0.75 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 39.05 3luj h ASN 568 CO 0.06 0.90 0.11 0.58 -0.37 0.00 0.00 177.43 178.71 3luj h VAL 569 N 1.19 1.16 -0.32 2.57 2.07 -1.29 0.00 116.25 121.63 3luj h VAL 569 Ca 0.29 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 3luj h VAL 569 Cb 0.09 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3luj h VAL 569 CO -0.04 0.16 0.02 0.11 0.02 0.00 0.00 177.57 177.85 3luj h LYS 570 N 0.27 0.49 -0.20 1.57 1.57 -0.98 -3.10 116.57 116.18 3luj h LYS 570 Ca 0.09 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3luj h LYS 570 Cb 0.16 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3luj h LYS 570 CO -0.01 0.50 0.00 1.28 -0.57 0.00 0.00 179.45 180.65 3luj n LEU 571 N -4.31 2.52 -0.13 2.94 4.77 -0.50 -5.08 117.00 117.21 3luj n LEU 571 Ca 0.01 -1.94 0.15 0.00 -0.03 0.00 0.00 56.01 54.20 3luj n LEU 571 Cb 0.22 -0.13 0.84 0.00 -2.33 0.00 0.00 43.42 42.01 3luj n LEU 571 CO 0.38 0.62 1.05 0.61 -1.33 0.00 0.00 177.39 178.72