#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lug s LYS 440 N 0.00 4.19 0.59 1.20 1.02 -1.26 -4.96 119.74 120.52 3lug s LYS 440 Ca 0.00 1.91 -0.20 0.00 0.02 0.00 0.00 55.97 57.70 3lug s LYS 440 Cb 0.00 -2.82 -0.03 0.00 -0.52 0.00 0.00 37.83 34.45 3lug s LYS 440 CO 0.00 -0.22 1.30 0.94 -0.92 0.00 0.00 175.35 176.45 3lug n GLN 441 N 0.36 1.41 -3.78 1.68 7.27 -1.26 -5.00 117.38 118.07 3lug n GLN 441 Ca 0.03 0.53 -0.34 0.00 0.07 0.00 0.00 57.00 57.29 3lug n GLN 441 Cb 0.45 -2.53 -0.05 0.00 2.41 0.00 0.00 30.24 30.52 3lug n GLN 441 CO 0.00 0.00 0.00 0.12 0.07 0.00 0.00 177.06 177.25 3lug s PHE 442 N -1.34 3.57 -0.27 3.69 2.19 -1.26 -4.87 117.98 119.69 3lug s PHE 442 Ca 0.76 0.54 -0.03 0.00 0.33 0.00 0.00 56.93 58.53 3lug s PHE 442 Cb -0.40 -1.97 0.03 0.00 -1.31 0.00 0.00 43.02 39.36 3lug s PHE 442 CO 0.46 0.61 -0.02 -1.01 1.83 0.00 0.00 175.22 177.09 3lug s HIS 443 N -1.32 3.11 0.28 10.12 3.76 -1.26 -5.10 115.29 124.89 3lug s HIS 443 Ca 0.28 -1.46 0.07 0.00 -0.15 0.00 0.00 55.06 53.80 3lug s HIS 443 Cb -0.13 -2.11 -0.03 0.00 1.11 0.00 0.00 32.58 31.42 3lug s HIS 443 CO 0.17 -0.70 0.30 0.95 -0.85 0.00 0.00 174.74 174.60 3lug s THR 444 N 1.36 4.32 0.00 1.30 -4.23 -1.26 -4.54 115.64 112.59 3lug s THR 444 Ca -0.00 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 3lug s THR 444 Cb -0.17 -3.44 0.00 0.00 1.34 0.00 0.00 72.50 70.23 3lug s THR 444 CO -0.02 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 3lug n GLY 445 N -1.35 0.42 3.97 3.99 0.00 0.13 -5.00 105.19 107.35 3lug n GLY 445 Ca -0.05 -0.79 -0.21 0.00 0.00 0.00 0.00 46.02 44.97 3lug n GLY 445 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3lug s ILE 446 N -2.00 4.52 -0.08 -0.61 -4.36 -1.02 -5.03 121.20 112.62 3lug s ILE 446 Ca 0.00 -0.81 -0.02 0.00 -0.26 0.00 0.00 60.65 59.56 3lug s ILE 446 Cb 0.00 -3.61 0.03 0.00 1.25 0.00 0.00 42.46 40.13 3lug s ILE 446 CO 0.00 -0.30 0.03 -1.61 0.24 0.00 0.00 174.94 173.30 3lug s GLU 447 N -4.22 0.36 -0.68 0.37 2.02 -1.26 -3.29 118.70 112.00 3lug s GLU 447 Ca 0.42 0.14 -0.16 0.00 0.02 0.00 0.00 54.97 55.39 3lug s GLU 447 Cb -0.09 -0.98 0.16 0.00 0.10 0.00 0.00 34.13 33.32 3lug s GLU 447 CO 0.33 -0.36 0.67 0.42 0.02 0.00 0.00 175.26 176.33 3lug s ILE 448 N 2.04 5.29 -0.08 -1.63 1.09 -0.14 -4.85 121.20 122.92 3lug s ILE 448 Ca 0.04 -1.82 -0.02 0.00 -1.10 0.00 0.00 60.65 57.75 3lug s ILE 448 Cb -0.13 -4.44 -0.26 0.00 -1.06 0.00 0.00 42.46 36.57 3lug s ILE 448 CO -0.05 -1.00 0.54 0.11 -0.10 0.00 0.00 174.94 174.43 3lug h LYS 449 N 8.48 0.21 -4.76 2.79 1.57 -1.94 -1.80 116.57 121.12 3lug h LYS 449 Ca -0.11 -0.36 -0.66 0.00 -1.87 0.00 0.00 60.65 57.65 3lug h LYS 449 Cb 1.07 0.13 -0.38 0.00 0.08 0.00 0.00 32.23 33.13 3lug h LYS 449 CO 0.94 1.03 -0.77 0.08 -0.57 0.00 0.00 179.45 180.17 3lug s VAL 450 N -2.58 2.17 0.02 0.50 1.01 -1.26 -4.76 120.40 115.50 3lug s VAL 450 Ca -0.15 -1.92 -0.10 0.00 0.00 0.00 0.00 61.98 59.80 3lug s VAL 450 Cb 0.07 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 34.03 3lug s VAL 450 CO 0.80 -0.28 0.21 -1.66 0.00 0.00 0.00 175.10 174.17 3lug s TRP 451 N 1.03 -0.01 0.14 5.22 1.48 -1.26 0.03 118.94 125.58 3lug s TRP 451 Ca -0.00 -0.11 0.06 0.00 -1.06 0.00 0.00 56.10 54.99 3lug s TRP 451 Cb -0.19 0.00 -0.04 0.00 -1.16 0.00 0.00 33.47 32.08 3lug s TRP 451 CO -0.07 -0.39 -0.14 0.00 -4.06 0.00 0.00 176.95 172.29 3lug s ALA 452 N -2.02 1.65 -0.12 2.67 0.00 -0.57 0.02 121.76 123.39 3lug s ALA 452 Ca -0.09 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 50.47 3lug s ALA 452 Cb -0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 3lug s ALA 452 CO -0.01 0.09 -0.13 0.42 0.00 0.00 0.00 175.76 176.13 3lug s ILE 453 N -2.41 3.04 -0.18 0.00 1.01 0.74 0.04 121.20 123.45 3lug s ILE 453 Ca 0.13 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 60.11 3lug s ILE 453 Cb -0.03 -2.26 0.03 0.00 0.01 0.00 0.00 42.46 40.21 3lug s ILE 453 CO 0.04 0.54 -0.14 0.00 0.00 0.00 0.00 174.94 175.37 3lug s ALA 454 N 0.17 2.08 -0.39 9.38 0.00 -0.00 -2.44 121.76 130.55 3lug s ALA 454 Ca -0.07 -1.13 -0.10 0.00 0.00 0.00 0.00 51.96 50.65 3lug s ALA 454 Cb -0.15 -1.19 0.05 0.00 0.00 0.00 0.00 23.12 21.83 3lug s ALA 454 CO 0.05 -0.55 0.22 0.00 0.00 0.00 0.00 175.76 175.48 3lug n PHE 456 N 4.96 0.37 -3.81 0.00 3.72 -0.06 -1.26 117.46 121.37 3lug n PHE 456 Ca -0.11 -0.18 -0.30 0.00 -0.05 0.00 0.00 57.45 56.80 3lug n PHE 456 Cb 0.45 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.95 3lug n PHE 456 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3lug s ALA 457 N -1.63 3.91 0.54 4.37 0.00 -1.23 -4.71 121.76 123.01 3lug s ALA 457 Ca 0.33 -0.76 -0.22 0.00 0.00 0.00 0.00 51.96 51.31 3lug s ALA 457 Cb 0.18 -1.94 -0.05 0.00 0.00 0.00 0.00 23.12 21.30 3lug s ALA 457 CO 0.26 0.71 1.33 -2.14 0.00 0.00 0.00 175.76 175.92 3lug s PRO 458 N -2.70 3.22 0.38 0.00 0.02 -1.26 -4.81 135.00 129.84 3lug s PRO 458 Ca 0.37 2.17 0.08 0.00 0.02 0.00 0.00 61.00 63.65 3lug s PRO 458 Cb -0.12 -2.27 0.81 0.00 0.02 0.00 0.00 34.50 32.94 3lug s PRO 458 CO 0.27 -1.11 1.95 0.37 -0.33 0.00 0.00 177.00 178.15 3lug h GLN 459 N 1.53 0.65 -0.96 5.54 4.15 -1.93 -1.19 115.11 122.89 3lug h GLN 459 Ca -0.51 -0.04 0.21 0.00 0.77 0.00 0.00 58.65 59.09 3lug h GLN 459 Cb 1.29 -0.15 -0.12 0.00 0.21 0.00 0.00 27.48 28.72 3lug h GLN 459 CO 0.58 0.43 0.52 -0.09 -1.93 0.00 0.00 178.83 178.34 3lug h ARG 460 N 0.67 0.56 0.00 1.69 9.65 -2.00 -2.18 114.38 122.78 3lug h ARG 460 Ca 0.32 -0.03 -0.31 0.00 -1.10 0.00 0.00 59.98 58.85 3lug h ARG 460 Cb 0.37 -0.13 -0.06 0.00 -1.39 0.00 0.00 29.97 28.77 3lug h ARG 460 CO -0.11 0.37 -1.89 1.04 2.80 0.00 0.00 179.97 182.19 3lug n GLN 461 N -4.90 0.65 -3.76 0.20 6.02 -0.71 -4.67 117.38 110.20 3lug n GLN 461 Ca 0.24 0.22 -0.29 0.00 -0.01 0.00 0.00 57.00 57.16 3lug n GLN 461 Cb 0.65 -1.72 -0.13 0.00 1.02 0.00 0.00 30.24 30.06 3lug n GLN 461 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3lug s THR 463 N -0.26 2.11 0.33 0.00 -4.23 -1.08 -4.43 115.64 108.09 3lug s THR 463 Ca 0.21 -0.16 0.03 0.00 -1.18 0.00 0.00 61.69 60.59 3lug s THR 463 Cb -0.16 -2.95 0.29 0.00 1.34 0.00 0.00 72.50 71.02 3lug s THR 463 CO -0.06 0.00 1.92 -0.08 -0.54 0.00 0.00 174.62 175.86 3lug h GLU 464 N -1.00 0.87 -0.02 3.99 4.81 -1.99 -1.66 114.58 119.58 3lug h GLU 464 Ca -0.44 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 58.61 3lug h GLU 464 Cb 1.29 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 3lug h GLU 464 CO 0.53 0.58 -0.59 -0.24 -0.73 0.00 0.00 179.01 178.56 3lug h VAL 465 N 0.90 1.41 -0.24 0.32 3.04 -1.99 -0.49 116.25 119.19 3lug h VAL 465 Ca 0.37 -2.00 -0.02 0.00 -1.01 0.00 0.00 66.70 64.04 3lug h VAL 465 Cb 0.28 2.06 -0.01 0.00 -2.01 0.00 0.00 31.29 31.61 3lug h VAL 465 CO -0.14 0.58 0.08 0.45 -1.01 0.00 0.00 177.57 177.53 3lug h HIS 466 N 0.04 0.39 -0.30 3.17 3.86 -1.68 -2.12 115.15 118.52 3lug h HIS 466 Ca -0.01 -0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.14 3lug h HIS 466 Cb 1.05 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.40 3lug h HIS 466 CO 0.01 0.43 0.08 -0.07 0.86 0.00 0.00 177.93 179.24 3lug h LEU 467 N 0.23 0.44 -0.74 2.43 3.38 -0.90 -1.32 115.31 118.83 3lug h LEU 467 Ca 0.08 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 3lug h LEU 467 Cb 0.23 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3lug h LEU 467 CO -0.00 0.55 -0.26 0.11 0.09 0.00 0.00 178.44 178.92 3lug h LYS 468 N 0.32 0.67 0.20 1.13 1.57 -1.13 0.94 116.57 120.26 3lug h LYS 468 Ca 0.09 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 3lug h LYS 468 Cb 0.28 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3lug h LYS 468 CO -0.00 0.86 -0.10 1.03 -0.57 0.00 0.00 179.45 180.67 3lug h SER 469 N 0.58 -0.23 -0.58 0.86 0.87 -1.25 -1.56 113.55 112.24 3lug h SER 469 Ca 0.08 -0.26 0.11 0.00 -1.23 0.00 0.00 61.79 60.49 3lug h SER 469 Cb 0.75 0.06 -0.11 0.00 -0.44 0.00 0.00 62.40 62.66 3lug h SER 469 CO 0.06 0.17 -0.25 0.15 -0.53 0.00 0.00 176.83 176.43 3lug h PHE 470 N -0.68 -0.63 -0.81 2.24 3.57 -1.21 -0.52 116.94 118.90 3lug h PHE 470 Ca -0.03 0.06 0.10 0.00 3.53 0.00 0.00 57.97 61.63 3lug h PHE 470 Cb 0.48 0.36 -0.07 0.00 2.79 0.00 0.00 35.95 39.51 3lug h PHE 470 CO 0.04 -0.33 0.45 1.15 -2.23 0.00 0.00 178.31 177.39 3lug h THR 471 N -0.10 0.89 -0.34 4.41 2.02 -0.72 0.67 112.91 119.75 3lug h THR 471 Ca 0.26 -0.26 -0.15 0.00 0.77 0.00 0.00 66.41 67.03 3lug h THR 471 Cb 0.51 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3lug h THR 471 CO -0.64 0.14 -0.36 -0.08 0.37 0.00 0.00 175.52 174.95 3lug h GLU 472 N 0.75 0.84 -0.37 6.66 4.57 -0.28 -0.39 114.58 126.35 3lug h GLU 472 Ca 0.39 -0.45 -0.06 0.00 -1.18 0.00 0.00 59.36 58.06 3lug h GLU 472 Cb 0.38 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 3lug h GLU 472 CO -0.26 1.09 -0.03 1.96 -1.18 0.00 0.00 179.01 180.59 3lug h GLN 473 N 0.62 0.61 -0.27 1.92 1.08 -0.67 -2.56 115.11 115.85 3lug h GLN 473 Ca 0.05 -0.15 -0.16 0.00 -1.45 0.00 0.00 58.65 56.94 3lug h GLN 473 Cb 0.95 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.29 3lug h GLN 473 CO 0.09 0.66 -0.47 1.25 -0.95 0.00 0.00 178.83 179.41 3lug h LEU 474 N 0.57 0.77 -0.28 1.46 5.85 -0.63 -2.68 115.31 120.37 3lug h LEU 474 Ca 0.11 -0.38 0.05 0.00 0.84 0.00 0.00 57.88 58.51 3lug h LEU 474 Cb 0.42 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 3lug h LEU 474 CO 0.02 1.11 0.00 -0.09 -0.34 0.00 0.00 178.44 179.15 3lug h ARG 475 N 0.56 0.09 0.16 1.25 2.43 -0.80 -1.66 114.38 116.42 3lug h ARG 475 Ca 0.03 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3lug h ARG 475 Cb 1.02 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 3lug h ARG 475 CO 0.10 0.06 -0.08 0.87 -1.51 0.00 0.00 179.97 179.41 3lug h LYS 476 N 0.09 -0.21 -0.32 0.20 1.57 -1.32 -1.34 116.57 115.25 3lug h LYS 476 Ca 0.14 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.85 3lug h LYS 476 Cb 0.18 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3lug h LYS 476 CO -0.22 0.03 -0.11 0.97 -0.57 0.00 0.00 179.45 179.55 3lug h ILE 477 N -0.42 1.28 -0.51 1.86 2.10 -1.51 -1.07 117.51 119.25 3lug h ILE 477 Ca -0.02 -1.18 0.00 0.00 1.08 0.00 0.00 64.86 64.74 3lug h ILE 477 Cb 0.33 1.39 -0.03 0.00 -1.09 0.00 0.00 36.82 37.42 3lug h ILE 477 CO 0.04 0.38 0.33 0.77 -1.08 0.00 0.00 178.15 178.59 3lug h SER 478 N 0.41 0.59 0.21 2.19 4.64 -1.32 -0.38 113.55 119.89 3lug h SER 478 Ca 0.08 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 3lug h SER 478 Cb 0.62 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3lug h SER 478 CO 0.04 0.43 -0.10 -0.09 -0.87 0.00 0.00 176.83 176.24 3lug h ARG 479 N 0.69 -0.28 -0.88 4.77 1.12 -0.96 -0.15 114.38 118.69 3lug h ARG 479 Ca 0.19 0.02 0.23 0.00 -1.11 0.00 0.00 59.98 59.31 3lug h ARG 479 Cb -0.07 0.06 -0.13 0.00 -0.01 0.00 0.00 29.97 29.82 3lug h ARG 479 CO -0.04 -0.01 0.31 -0.44 -3.11 0.00 0.00 179.97 176.69 3lug h ASP 480 N -0.53 0.15 -0.25 -3.80 3.32 -0.48 -0.63 116.42 114.20 3lug h ASP 480 Ca -0.03 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3lug h ASP 480 Cb 0.40 0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.15 3lug h ASP 480 CO 0.05 -0.09 0.00 0.00 -1.72 0.00 0.00 179.24 177.47 3lug n ALA 481 N -2.60 2.47 -1.18 3.45 0.00 -0.22 -4.89 120.51 117.53 3lug n ALA 481 Ca 0.22 -0.44 -0.06 0.00 0.00 0.00 0.00 53.44 53.16 3lug n ALA 481 Cb 0.68 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 19.12 3lug n ALA 481 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3lug n GLY 482 N 0.89 0.85 2.51 0.00 0.00 -0.24 -4.80 105.19 104.39 3lug n GLY 482 Ca 0.08 -0.55 -0.18 0.00 0.00 0.00 0.00 46.02 45.38 3lug n GLY 482 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3lug n MET 483 N -2.51 1.76 -1.67 1.61 0.00 -0.10 0.20 117.12 116.41 3lug n MET 483 Ca -0.06 -3.76 -0.46 0.00 0.00 0.00 0.00 57.70 53.42 3lug n MET 483 Cb 0.24 -1.73 -0.04 0.00 0.00 0.00 0.00 33.22 31.69 3lug n MET 483 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 3lug n PRO 484 N -0.02 2.17 -3.82 3.17 -0.04 -1.00 -4.53 135.00 130.92 3lug n PRO 484 Ca 0.23 0.78 -0.36 0.00 -0.04 0.00 0.00 63.50 64.11 3lug n PRO 484 Cb 0.66 -2.56 -0.11 0.00 -0.04 0.00 0.00 33.50 31.45 3lug n PRO 484 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3lug s ILE 485 N 1.02 4.63 0.15 0.52 1.01 -1.26 -0.97 121.20 126.31 3lug s ILE 485 Ca 0.79 -0.07 -0.34 0.00 0.00 0.00 0.00 60.65 61.03 3lug s ILE 485 Cb -0.67 -3.15 -0.15 0.00 0.01 0.00 0.00 42.46 38.50 3lug s ILE 485 CO 0.38 0.37 1.35 1.67 0.00 0.00 0.00 174.94 178.71 3lug n GLN 486 N 4.47 1.53 0.00 2.79 7.27 -0.68 -4.46 117.38 128.29 3lug n GLN 486 Ca -0.16 0.55 0.02 0.00 0.07 0.00 0.00 57.00 57.48 3lug n GLN 486 Cb 0.52 -2.18 0.11 0.00 2.41 0.00 0.00 30.24 31.10 3lug n GLN 486 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3lug n GLY 487 N 2.50 -0.33 2.84 1.69 0.00 -1.26 -4.37 105.19 106.26 3lug n GLY 487 Ca 0.16 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 3lug n GLY 487 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3lug s GLN 488 N -2.39 1.05 0.73 1.61 2.00 -1.26 -4.83 119.66 116.58 3lug s GLN 488 Ca 0.05 -1.25 -0.15 0.00 -2.00 0.00 0.00 55.36 52.01 3lug s GLN 488 Cb 0.03 -2.42 0.04 0.00 0.80 0.00 0.00 33.01 31.46 3lug s GLN 488 CO 0.06 -0.90 1.19 -1.25 -0.50 0.00 0.00 175.29 173.88 3lug s PRO 489 N 1.40 2.15 0.00 1.67 0.04 -1.26 -4.82 135.00 134.18 3lug s PRO 489 Ca 0.07 1.68 0.27 0.00 0.04 0.00 0.00 61.00 63.06 3lug s PRO 489 Cb -0.18 -1.84 0.91 0.00 0.04 0.00 0.00 34.50 33.43 3lug s PRO 489 CO -0.17 -1.81 1.67 0.00 0.04 0.00 0.00 177.00 176.73 3lug s PHE 491 N -2.68 -0.51 -0.25 0.00 5.36 -1.26 -5.02 117.98 113.62 3lug s PHE 491 Ca 0.21 1.09 -0.02 0.00 -0.96 0.00 0.00 56.93 57.25 3lug s PHE 491 Cb 0.19 0.35 0.12 0.00 -0.34 0.00 0.00 43.02 43.35 3lug s PHE 491 CO 0.55 -0.25 0.31 0.00 -1.46 0.00 0.00 175.22 174.37 3lug s LYS 493 N 2.43 0.53 0.10 0.00 1.02 -1.02 -5.01 119.74 117.79 3lug s LYS 493 Ca 0.10 -0.60 -0.10 0.00 0.02 0.00 0.00 55.97 55.38 3lug s LYS 493 Cb -0.15 0.21 -0.06 0.00 -0.52 0.00 0.00 37.83 37.31 3lug s LYS 493 CO -0.20 -0.13 0.42 0.71 -0.92 0.00 0.00 175.35 175.23 3lug s TYR 494 N -2.05 3.57 0.19 3.18 2.02 -1.26 -1.01 117.35 121.99 3lug s TYR 494 Ca -0.10 0.80 -0.09 0.00 -0.37 0.00 0.00 57.07 57.31 3lug s TYR 494 Cb -0.04 -2.18 -0.01 0.00 -0.40 0.00 0.00 41.96 39.33 3lug s TYR 494 CO -0.02 0.49 0.33 0.00 -1.57 0.00 0.00 175.55 174.78 3lug s ALA 495 N -1.45 0.04 -0.01 3.71 0.00 -0.39 -4.90 121.76 118.77 3lug s ALA 495 Ca 0.35 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.36 3lug s ALA 495 Cb -0.14 0.98 0.01 0.00 0.00 0.00 0.00 23.12 23.97 3lug s ALA 495 CO 0.19 -0.70 -0.02 -0.65 0.00 0.00 0.00 175.76 174.58 3lug s GLN 496 N -4.00 0.24 0.00 0.00 -0.21 -1.26 -4.04 119.66 110.38 3lug s GLN 496 Ca 0.21 -0.04 0.00 0.00 0.02 0.00 0.00 55.36 55.55 3lug s GLN 496 Cb 0.02 -0.29 0.00 0.00 1.00 0.00 0.00 33.01 33.74 3lug s GLN 496 CO 0.04 -0.00 0.00 0.41 -2.12 0.00 0.00 175.29 173.62 3lug n GLY 497 N 3.36 -0.81 0.37 3.09 0.00 -1.26 -4.32 105.19 105.62 3lug n GLY 497 Ca -0.17 -1.48 0.01 0.00 0.00 0.00 0.00 46.02 44.39 3lug n GLY 497 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lug h ALA 498 N 0.00 1.37 0.00 4.61 0.00 -1.93 -2.38 119.26 120.94 3lug h ALA 498 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3lug h ALA 498 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.46 3lug h ALA 498 CO 0.00 0.50 0.00 -0.25 0.00 0.00 0.00 179.25 179.50 3lug n ASP 499 N -4.47 0.21 -0.03 0.00 8.00 -1.26 -1.32 116.55 117.69 3lug n ASP 499 Ca 0.14 0.59 0.12 0.00 0.71 0.00 0.00 54.79 56.35 3lug n ASP 499 Cb 0.14 -0.62 0.22 0.00 -0.02 0.00 0.00 41.12 40.83 3lug n ASP 499 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3lug n SER 500 N -1.77 0.62 0.22 -2.24 3.41 -0.89 -4.51 113.62 108.46 3lug n SER 500 Ca 0.00 -0.40 -0.11 0.00 -0.26 0.00 0.00 58.87 58.10 3lug n SER 500 Cb 0.06 0.33 -0.06 0.00 -0.26 0.00 0.00 64.21 64.28 3lug n SER 500 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3lug h VAL 501 N 0.13 0.17 0.15 -3.33 2.07 -1.34 -2.73 116.25 111.35 3lug h VAL 501 Ca 0.00 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 66.97 3lug h VAL 501 Cb 0.50 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3lug h VAL 501 CO 0.00 0.04 -0.20 -0.08 0.02 0.00 0.00 177.57 177.35 3lug h GLU 502 N -1.11 -0.38 -0.83 1.57 4.81 -1.79 0.29 114.58 117.14 3lug h GLU 502 Ca -0.06 0.03 0.18 0.00 -0.13 0.00 0.00 59.36 59.37 3lug h GLU 502 Cb 0.54 0.09 -0.11 0.00 0.63 0.00 0.00 28.75 29.89 3lug h GLU 502 CO 0.11 -0.25 0.34 -1.35 -0.73 0.00 0.00 179.01 177.12 3lug h PRO 503 N -0.40 0.42 -0.23 0.92 0.11 -1.81 -1.15 132.00 129.85 3lug h PRO 503 Ca 0.01 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.91 3lug h PRO 503 Cb 0.39 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.41 3lug h PRO 503 CO -0.08 0.27 -0.61 1.98 -0.21 0.00 0.00 178.00 179.35 3lug h MET 504 N 0.43 0.79 -0.13 1.05 1.85 -1.01 -2.61 114.93 115.31 3lug h MET 504 Ca 0.49 -0.54 -0.16 0.00 -0.61 0.00 0.00 59.70 58.88 3lug h MET 504 Cb 0.83 0.08 0.01 0.00 0.43 0.00 0.00 31.60 32.95 3lug h MET 504 CO -0.47 1.16 -0.54 0.74 -0.40 0.00 0.00 176.91 177.41 3lug h PHE 505 N 0.59 0.78 -0.81 1.39 -1.00 -0.65 -1.10 116.94 116.14 3lug h PHE 505 Ca -0.00 -0.34 0.14 0.00 2.81 0.00 0.00 57.97 60.57 3lug h PHE 505 Cb 1.22 -0.12 -0.09 0.00 3.61 0.00 0.00 35.95 40.56 3lug h PHE 505 CO 0.07 1.12 0.40 0.00 -1.61 0.00 0.00 178.31 178.30 3lug h ARG 506 N 0.22 0.58 0.15 1.51 3.08 -1.30 0.22 114.38 118.84 3lug h ARG 506 Ca -0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3lug h ARG 506 Cb 1.17 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.10 3lug h ARG 506 CO 0.11 0.38 -0.07 1.25 -1.07 0.00 0.00 179.97 180.57 3lug h HIS 507 N 0.60 -0.19 -0.15 3.04 2.76 -1.21 -0.23 115.15 119.77 3lug h HIS 507 Ca 0.43 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.65 3lug h HIS 507 Cb 0.59 0.06 -0.05 0.00 1.55 0.00 0.00 27.41 29.57 3lug h HIS 507 CO -0.11 -0.10 -0.16 -0.07 -1.30 0.00 0.00 177.93 176.19 3lug h LEU 508 N -0.23 -0.50 -0.68 0.26 3.38 -0.32 -0.79 115.31 116.45 3lug h LEU 508 Ca -0.02 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.07 3lug h LEU 508 Cb 0.18 0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 3lug h LEU 508 CO 0.03 -0.20 0.43 0.50 0.09 0.00 0.00 178.44 179.29 3lug h LYS 509 N -0.19 0.82 0.00 1.13 3.64 -0.50 -0.61 116.57 120.86 3lug h LYS 509 Ca 0.10 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3lug h LYS 509 Cb 0.34 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3lug h LYS 509 CO -0.26 0.54 0.00 0.09 -2.27 0.00 0.00 179.45 177.55 3lug n ASN 510 N -4.67 0.14 -0.02 4.20 5.03 -0.11 -3.96 115.26 115.87 3lug n ASN 510 Ca 0.07 0.52 -0.02 0.00 0.87 0.00 0.00 54.58 56.02 3lug n ASN 510 Cb 0.07 -0.56 -0.03 0.00 -1.02 0.00 0.00 39.78 38.24 3lug n ASN 510 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 3lug n THR 511 N -1.64 0.31 -3.77 3.41 -1.04 -0.35 -4.92 114.28 106.28 3lug n THR 511 Ca 0.05 -0.18 -0.36 0.00 -2.04 0.00 0.00 64.05 61.53 3lug n THR 511 Cb 0.28 -0.86 -0.11 0.00 -1.82 0.00 0.00 70.33 67.83 3lug n THR 511 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3lug s TYR 512 N -2.11 3.47 0.30 -1.42 2.02 -0.28 -5.08 117.35 114.25 3lug s TYR 512 Ca -0.03 -2.66 -0.29 0.00 -0.37 0.00 0.00 57.07 53.72 3lug s TYR 512 Cb 0.01 -3.17 -0.10 0.00 -0.40 0.00 0.00 41.96 38.30 3lug s TYR 512 CO 0.17 -0.88 1.25 0.00 -1.57 0.00 0.00 175.55 174.52 3lug s ALA 513 N 0.37 3.48 -0.13 3.71 0.00 -1.26 -2.58 121.76 125.35 3lug s ALA 513 Ca 0.14 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.23 3lug s ALA 513 Cb -0.22 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.47 3lug s ALA 513 CO -0.04 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 175.65 3lug n GLY 514 N 1.14 0.48 3.70 0.00 0.00 -1.26 -4.97 105.19 104.28 3lug n GLY 514 Ca 0.01 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 3lug n GLY 514 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3lug n LEU 515 N -0.14 3.81 -0.04 0.99 0.00 -1.06 -4.61 117.00 115.95 3lug n LEU 515 Ca -0.01 1.04 0.00 0.00 0.00 0.00 0.00 56.01 57.05 3lug n LEU 515 Cb 0.12 -1.53 -0.13 0.00 0.00 0.00 0.00 43.42 41.88 3lug n LEU 515 CO 0.02 0.08 -0.87 0.00 0.00 0.00 0.00 177.39 176.62 3lug n GLN 516 N 4.35 0.93 -3.64 1.96 6.02 0.10 -4.97 117.38 122.14 3lug n GLN 516 Ca 0.17 -0.08 -0.10 0.00 -0.01 0.00 0.00 57.00 56.97 3lug n GLN 516 Cb 0.34 -1.42 -0.07 0.00 1.02 0.00 0.00 30.24 30.11 3lug n GLN 516 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3lug s LEU 517 N -4.72 -0.54 -0.23 1.08 2.96 -1.23 -4.56 118.68 111.45 3lug s LEU 517 Ca -0.07 1.02 -0.04 0.00 -0.22 0.00 0.00 54.13 54.82 3lug s LEU 517 Cb 0.08 2.03 -0.00 0.00 0.50 0.00 0.00 46.19 48.79 3lug s LEU 517 CO 0.70 -0.17 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.83 3lug s VAL 518 N 0.35 3.36 -0.25 1.68 1.01 -0.86 -1.51 120.40 124.18 3lug s VAL 518 Ca 0.02 -0.55 -0.22 0.00 0.00 0.00 0.00 61.98 61.22 3lug s VAL 518 Cb -0.05 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 3lug s VAL 518 CO -0.05 0.38 0.72 -0.69 0.00 0.00 0.00 175.10 175.46 3lug s VAL 519 N 1.47 4.91 -0.24 2.92 1.01 0.11 -1.07 120.40 129.51 3lug s VAL 519 Ca 0.05 1.31 -0.06 0.00 0.00 0.00 0.00 61.98 63.28 3lug s VAL 519 Cb -0.15 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 3lug s VAL 519 CO -0.03 -0.03 0.02 -0.69 0.00 0.00 0.00 175.10 174.36 3lug s VAL 520 N 2.67 3.82 -0.24 2.92 1.01 -0.02 -0.82 120.40 129.73 3lug s VAL 520 Ca 0.30 -0.37 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 3lug s VAL 520 Cb -0.15 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 3lug s VAL 520 CO 0.08 0.36 0.27 -0.63 0.00 0.00 0.00 175.10 175.18 3lug s ILE 521 N 1.54 5.28 0.15 2.22 1.01 -0.08 -0.11 121.20 131.20 3lug s ILE 521 Ca 0.06 0.39 0.09 0.00 0.00 0.00 0.00 60.65 61.20 3lug s ILE 521 Cb -0.15 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 3lug s ILE 521 CO 0.00 0.27 -0.16 -0.76 0.00 0.00 0.00 174.94 174.29 3lug s LEU 522 N 1.40 2.74 0.00 2.97 1.43 -0.34 -0.88 118.68 126.00 3lug s LEU 522 Ca 0.12 -0.62 0.30 0.00 -1.03 0.00 0.00 54.13 52.90 3lug s LEU 522 Cb -0.15 -1.51 1.55 0.00 0.03 0.00 0.00 46.19 46.11 3lug s LEU 522 CO 0.07 0.15 2.04 -0.81 0.23 0.00 0.00 176.35 178.03 3lug n PRO 523 N 0.48 0.98 0.00 1.29 -0.04 -1.26 -0.29 135.00 136.15 3lug n PRO 523 Ca -0.14 -0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.10 3lug n PRO 523 Cb 0.54 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 3lug n PRO 523 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3lug n GLY 524 N 1.13 0.36 3.71 0.55 0.00 -1.26 -4.81 105.19 104.87 3lug n GLY 524 Ca 0.20 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 3lug n GLY 524 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lug s LYS 525 N -1.40 4.42 -0.15 1.61 -0.14 -1.26 -4.99 119.74 117.83 3lug s LYS 525 Ca 0.00 1.81 -0.29 0.00 -1.36 0.00 0.00 55.97 56.13 3lug s LYS 525 Cb 0.00 -3.33 0.10 0.00 -1.68 0.00 0.00 37.83 32.92 3lug s LYS 525 CO 0.00 -0.27 0.84 -0.08 -0.76 0.00 0.00 175.35 175.07 3lug s THR 526 N 1.03 0.00 0.25 2.17 -1.32 -1.26 -5.01 115.64 111.50 3lug s THR 526 Ca 0.59 0.00 0.35 0.00 -1.21 0.00 0.00 61.69 61.42 3lug s THR 526 Cb -0.31 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.04 3lug s THR 526 CO 0.30 0.00 2.07 1.55 -2.21 0.00 0.00 174.62 176.32 3lug h PRO 527 N 3.35 0.00 -0.68 7.08 0.13 -2.01 -1.81 132.00 138.05 3lug h PRO 527 Ca -0.25 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.95 3lug h PRO 527 Cb 1.16 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 3lug h PRO 527 CO 0.27 0.00 0.45 0.28 -0.23 0.00 0.00 178.00 178.77 3lug h VAL 528 N 0.00 1.01 0.39 1.56 2.07 -1.94 -2.46 116.25 116.87 3lug h VAL 528 Ca 0.00 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 3lug h VAL 528 Cb 0.09 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 3lug h VAL 528 CO 0.00 0.13 -0.28 0.22 0.02 0.00 0.00 177.57 177.66 3lug h TYR 529 N 0.69 -0.73 -0.66 1.57 5.03 -1.71 0.22 116.97 121.37 3lug h TYR 529 Ca 0.29 -0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.66 3lug h TYR 529 Cb 0.27 0.27 -0.04 0.00 1.55 0.00 0.00 36.73 38.78 3lug h TYR 529 CO -0.00 -0.42 0.44 0.00 -1.32 0.00 0.00 178.16 176.86 3lug h ALA 530 N -0.11 1.76 -0.19 1.82 0.00 -1.67 -1.64 119.26 119.22 3lug h ALA 530 Ca -0.04 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.65 3lug h ALA 530 Cb 0.56 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3lug h ALA 530 CO 0.01 0.13 -0.68 1.49 0.00 0.00 0.00 179.25 180.21 3lug h GLU 531 N 0.67 0.74 -0.24 0.00 4.57 -0.96 0.19 114.58 119.55 3lug h GLU 531 Ca 0.29 -0.55 0.01 0.00 -1.18 0.00 0.00 59.36 57.93 3lug h GLU 531 Cb 0.27 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 3lug h GLU 531 CO -0.09 1.17 0.12 0.28 -1.18 0.00 0.00 179.01 179.30 3lug h VAL 532 N 0.53 1.00 -0.17 0.32 2.07 -0.06 0.22 116.25 120.16 3lug h VAL 532 Ca -0.02 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 3lug h VAL 532 Cb 1.29 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 3lug h VAL 532 CO 0.14 0.05 0.00 0.11 0.02 0.00 0.00 177.57 177.89 3lug h LYS 533 N 0.25 0.30 -0.30 1.57 1.79 -1.25 0.30 116.57 119.24 3lug h LYS 533 Ca 0.10 -0.10 0.06 0.00 -2.18 0.00 0.00 60.65 58.53 3lug h LYS 533 Cb 0.02 -0.03 -0.08 0.00 -1.58 0.00 0.00 32.23 30.56 3lug h LYS 533 CO -0.06 0.52 -0.38 -0.09 -1.08 0.00 0.00 179.45 178.35 3lug h ARG 534 N 0.06 -0.34 0.25 3.15 2.43 -0.43 0.38 114.38 119.87 3lug h ARG 534 Ca 0.05 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3lug h ARG 534 Cb 0.38 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3lug h ARG 534 CO 0.01 -0.23 -0.12 0.28 -1.51 0.00 0.00 179.97 178.40 3lug h VAL 535 N -0.36 0.80 -0.40 0.20 2.07 -0.45 -1.31 116.25 116.80 3lug h VAL 535 Ca 0.13 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 3lug h VAL 535 Cb 0.58 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 3lug h VAL 535 CO -0.49 0.14 0.14 1.23 0.02 0.00 0.00 177.57 178.61 3lug h GLY 536 N -0.70 0.65 0.94 2.17 0.00 -0.33 0.58 103.07 106.37 3lug h GLY 536 Ca -0.03 -0.37 -0.27 0.00 0.00 0.00 0.00 47.33 46.65 3lug h GLY 536 CO 0.06 0.35 -1.22 -0.55 0.00 0.00 0.00 176.54 175.18 3lug h ASP 537 N 0.50 0.64 0.00 0.19 3.32 -0.36 0.50 116.42 121.22 3lug h ASP 537 Ca 0.13 -0.93 -0.33 0.00 0.02 0.00 0.00 57.03 55.92 3lug h ASP 537 Cb 0.22 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.50 3lug h ASP 537 CO -0.01 1.58 -2.25 0.41 -1.72 0.00 0.00 179.24 177.25 3lug n THR 538 N -3.90 1.25 -0.12 0.35 -1.04 -0.51 -4.47 114.28 105.84 3lug n THR 538 Ca -0.17 -0.73 -0.20 0.00 -2.04 0.00 0.00 64.05 60.92 3lug n THR 538 Cb 0.97 -0.64 -0.07 0.00 -1.82 0.00 0.00 70.33 68.77 3lug n THR 538 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3lug n VAL 539 N -2.74 1.51 0.81 12.58 0.31 -0.62 -4.73 118.33 125.46 3lug n VAL 539 Ca -0.31 -0.13 0.10 0.00 -0.01 0.00 0.00 64.34 63.98 3lug n VAL 539 Cb 1.06 -2.10 -0.12 0.00 -0.91 0.00 0.00 33.84 31.77 3lug n VAL 539 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3lug n LEU 540 N -4.36 0.82 -3.37 7.52 4.32 0.10 -5.01 117.00 117.02 3lug n LEU 540 Ca -0.35 -0.43 -0.19 0.00 -0.02 0.00 0.00 56.01 55.02 3lug n LEU 540 Cb 0.71 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 42.57 3lug n LEU 540 CO 0.12 0.20 0.01 0.61 -1.22 0.00 0.00 177.39 177.11 3lug n GLY 541 N 1.45 -1.04 3.12 -0.72 0.00 -0.97 -5.02 105.19 102.02 3lug n GLY 541 Ca 0.03 0.51 -0.29 0.00 0.00 0.00 0.00 46.02 46.26 3lug n GLY 541 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3lug s MET 542 N -4.86 2.49 0.15 1.61 -1.94 0.17 -5.01 119.30 111.90 3lug s MET 542 Ca 0.41 -0.67 -0.31 0.00 -1.71 0.00 0.00 55.69 53.41 3lug s MET 542 Cb -0.08 -1.98 -0.09 0.00 2.01 0.00 0.00 34.83 34.69 3lug s MET 542 CO 0.77 0.05 1.41 0.00 -0.01 0.00 0.00 175.02 177.24 3lug s ALA 543 N 0.66 3.61 0.04 3.03 0.00 -1.26 -4.33 121.76 123.51 3lug s ALA 543 Ca -0.13 1.18 0.04 0.00 0.00 0.00 0.00 51.96 53.05 3lug s ALA 543 Cb -0.16 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.39 3lug s ALA 543 CO 0.03 -0.64 -0.12 0.95 0.00 0.00 0.00 175.76 175.99 3lug s THR 544 N 0.82 0.92 -0.15 0.00 -4.23 -1.26 -2.02 115.64 109.71 3lug s THR 544 Ca 0.64 -0.95 -0.01 0.00 -1.18 0.00 0.00 61.69 60.19 3lug s THR 544 Cb -0.38 -0.86 0.04 0.00 1.34 0.00 0.00 72.50 72.64 3lug s THR 544 CO 0.33 -0.08 -0.03 -1.58 -0.54 0.00 0.00 174.62 172.73 3lug s GLN 545 N -1.15 1.13 0.38 3.99 2.00 -0.23 -4.94 119.66 120.84 3lug s GLN 545 Ca -0.01 -0.37 -0.22 0.00 -2.00 0.00 0.00 55.36 52.76 3lug s GLN 545 Cb -0.08 -1.81 -0.10 0.00 0.80 0.00 0.00 33.01 31.82 3lug s GLN 545 CO 0.01 -0.44 0.93 0.00 -0.50 0.00 0.00 175.29 175.28 3lug s VAL 547 N -1.97 0.03 0.15 0.00 0.11 0.84 -4.87 120.40 114.70 3lug s VAL 547 Ca 0.57 -0.29 -0.30 0.00 -2.93 0.00 0.00 61.98 59.03 3lug s VAL 547 Cb -0.12 -0.15 -0.07 0.00 -1.53 0.00 0.00 36.38 34.50 3lug s VAL 547 CO 0.17 -0.16 1.03 -1.10 -3.33 0.00 0.00 175.10 171.71 3lug s GLN 548 N -0.47 4.65 0.35 1.54 -1.52 -1.26 -1.19 119.66 121.76 3lug s GLN 548 Ca -0.05 1.59 0.10 0.00 -1.95 0.00 0.00 55.36 55.04 3lug s GLN 548 Cb -0.03 -3.32 0.84 0.00 -0.22 0.00 0.00 33.01 30.27 3lug s GLN 548 CO -0.00 0.16 1.85 1.98 -0.25 0.00 0.00 175.29 179.03 3lug h MET 549 N 5.28 0.65 0.00 2.91 1.85 -0.97 -0.08 114.93 124.57 3lug h MET 549 Ca -0.44 -0.04 -0.04 0.00 -0.61 0.00 0.00 59.70 58.58 3lug h MET 549 Cb 1.21 -0.15 -0.01 0.00 0.43 0.00 0.00 31.60 33.09 3lug h MET 549 CO 0.72 0.43 -0.19 1.57 -0.40 0.00 0.00 176.91 179.04 3lug h LYS 550 N 0.67 0.00 -0.00 0.39 -0.00 -1.92 -0.34 116.57 115.37 3lug h LYS 550 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 61.12 3lug h LYS 550 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.04 3lug h LYS 550 CO -0.23 0.19 -0.07 0.09 -0.00 0.00 0.00 179.45 179.43 3lug n ASN 551 N -4.10 0.18 -0.06 7.07 5.03 -0.05 -2.46 115.26 120.87 3lug n ASN 551 Ca -0.02 -0.16 -0.08 0.00 0.87 0.00 0.00 54.58 55.19 3lug n ASN 551 Cb 0.26 -0.22 -0.15 0.00 -1.02 0.00 0.00 39.78 38.65 3lug n ASN 551 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 3lug n VAL 552 N -1.24 1.39 -0.07 2.41 0.31 -0.29 -3.92 118.33 116.92 3lug n VAL 552 Ca 0.12 -0.81 -0.14 0.00 -0.01 0.00 0.00 64.34 63.50 3lug n VAL 552 Cb 0.28 -0.65 -0.06 0.00 -0.91 0.00 0.00 33.84 32.50 3lug n VAL 552 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3lug h GLN 553 N 0.00 0.54 -3.86 5.55 4.20 -1.04 -3.42 115.11 117.08 3lug h GLN 553 Ca -0.42 -0.31 -0.46 0.00 0.06 0.00 0.00 58.65 57.53 3lug h GLN 553 Cb 2.08 0.02 -0.37 0.00 0.30 0.00 0.00 27.48 29.51 3lug h GLN 553 CO 0.05 0.91 -0.78 1.03 -0.67 0.00 0.00 178.83 179.37 3lug s ARG 554 N -4.20 0.85 0.34 1.46 0.52 -1.03 -4.95 118.95 111.94 3lug s ARG 554 Ca -0.13 0.00 -0.01 0.00 -0.52 0.00 0.00 55.73 55.07 3lug s ARG 554 Cb 0.07 -1.11 -0.04 0.00 0.52 0.00 0.00 34.95 34.39 3lug s ARG 554 CO 0.80 -0.27 0.56 0.95 0.02 0.00 0.00 175.30 177.35 3lug s THR 555 N 1.81 5.09 0.08 0.02 -4.23 -1.25 -4.28 115.64 112.88 3lug s THR 555 Ca 0.03 -0.33 0.03 0.00 -1.18 0.00 0.00 61.69 60.24 3lug s THR 555 Cb -0.12 -3.84 -0.03 0.00 1.34 0.00 0.00 72.50 69.85 3lug s THR 555 CO -0.05 -0.52 -0.10 0.42 -0.54 0.00 0.00 174.62 173.83 3lug s THR 556 N -2.28 0.84 0.50 3.99 -4.23 -1.26 -5.03 115.64 108.16 3lug s THR 556 Ca 0.41 -1.46 0.19 0.00 -1.18 0.00 0.00 61.69 59.65 3lug s THR 556 Cb -0.10 -1.13 0.33 0.00 1.34 0.00 0.00 72.50 72.94 3lug s THR 556 CO 0.35 -0.48 2.05 -0.65 -0.54 0.00 0.00 174.62 175.35 3lug h PRO 557 N 3.89 0.12 -0.45 3.99 0.11 -2.00 -1.47 132.00 136.19 3lug h PRO 557 Ca -0.37 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.63 3lug h PRO 557 Cb 1.19 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3lug h PRO 557 CO 0.48 0.08 -0.10 0.37 -0.21 0.00 0.00 178.00 178.63 3lug h GLN 558 N 0.13 0.86 0.00 1.05 4.15 -1.98 -0.31 115.11 119.01 3lug h GLN 558 Ca 0.17 -0.32 -0.18 0.00 0.77 0.00 0.00 58.65 59.09 3lug h GLN 558 Cb 0.52 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 3lug h GLN 558 CO -0.02 0.96 -0.86 1.79 -1.93 0.00 0.00 178.83 178.77 3lug h THR 559 N 0.69 1.58 -0.61 2.39 1.35 -1.84 -0.43 112.91 116.04 3lug h THR 559 Ca 0.11 -2.84 -0.09 0.00 -0.55 0.00 0.00 66.41 63.04 3lug h THR 559 Cb 0.64 2.55 -0.02 0.00 -1.73 0.00 0.00 68.15 69.58 3lug h THR 559 CO 0.04 0.82 0.02 -0.07 -0.25 0.00 0.00 175.52 176.08 3lug h LEU 560 N 0.02 1.04 -0.35 3.87 3.38 -1.22 -2.00 115.31 120.05 3lug h LEU 560 Ca -0.02 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 3lug h LEU 560 Cb 1.50 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 3lug h LEU 560 CO 0.12 1.08 0.13 -1.28 0.09 0.00 0.00 178.44 178.59 3lug h SER 561 N 0.97 0.49 -0.56 -0.43 0.87 -0.91 -0.49 113.55 113.49 3lug h SER 561 Ca 0.18 -0.18 0.11 0.00 -1.23 0.00 0.00 61.79 60.68 3lug h SER 561 Cb 0.54 -0.13 -0.10 0.00 -0.44 0.00 0.00 62.40 62.27 3lug h SER 561 CO 0.03 0.54 -0.03 0.78 -0.53 0.00 0.00 176.83 177.61 3lug h ASN 562 N 0.42 -0.31 -0.40 6.23 -0.26 -0.96 -1.90 115.58 118.40 3lug h ASN 562 Ca 0.12 0.15 -0.04 0.00 -0.56 0.00 0.00 56.30 55.97 3lug h ASN 562 Cb 0.20 0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.71 3lug h ASN 562 CO -0.01 -0.12 0.11 0.25 -1.06 0.00 0.00 177.43 176.60 3lug h LEU 563 N 0.09 0.60 -1.29 1.61 5.85 -0.83 -2.68 115.31 118.65 3lug h LEU 563 Ca 0.29 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3lug h LEU 563 Cb 0.45 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3lug h LEU 563 CO -0.50 0.66 0.42 0.00 -0.34 0.00 0.00 178.44 178.68 3lug h LEU 565 N 0.92 0.85 -0.52 0.00 3.38 -1.13 0.54 115.31 119.36 3lug h LEU 565 Ca 0.25 -0.34 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 3lug h LEU 565 Cb -0.07 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 3lug h LEU 565 CO -0.05 1.00 -0.18 0.11 0.09 0.00 0.00 178.44 179.41 3lug h LYS 566 N 0.70 1.01 -0.77 1.13 1.57 -1.19 -2.36 116.57 116.66 3lug h LYS 566 Ca 0.12 -0.41 -0.05 0.00 -1.87 0.00 0.00 60.65 58.44 3lug h LYS 566 Cb 0.60 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 3lug h LYS 566 CO 0.04 1.10 0.28 0.82 -0.57 0.00 0.00 179.45 181.11 3lug h ILE 567 N 0.88 1.26 -0.61 1.86 2.04 -0.98 -2.74 117.51 119.22 3lug h ILE 567 Ca 0.12 -0.86 -0.09 0.00 1.00 0.00 0.00 64.86 65.04 3lug h ILE 567 Cb 0.75 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3lug h ILE 567 CO 0.06 0.35 0.04 -1.13 0.00 0.00 0.00 178.15 177.47 3lug h ASN 568 N 1.13 1.00 -0.27 1.72 -0.73 -0.60 -1.47 115.58 116.35 3lug h ASN 568 Ca 0.25 -0.26 -0.10 0.00 1.87 0.00 0.00 56.30 58.07 3lug h ASN 568 Cb 0.26 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.56 3lug h ASN 568 CO -0.02 1.03 -0.15 1.62 -0.37 0.00 0.00 177.43 179.54 3lug h VAL 569 N 0.96 1.26 0.00 2.57 3.04 -1.36 -0.08 116.25 122.63 3lug h VAL 569 Ca 0.18 -1.20 -0.12 0.00 -1.01 0.00 0.00 66.70 64.55 3lug h VAL 569 Cb 0.49 1.13 -0.02 0.00 -2.01 0.00 0.00 31.29 30.88 3lug h VAL 569 CO 0.02 0.40 -0.55 0.11 -1.01 0.00 0.00 177.57 176.55 3lug h LYS 570 N 0.64 0.00 0.00 4.17 1.57 -1.14 -3.32 116.57 118.49 3lug h LYS 570 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3lug h LYS 570 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3lug h LYS 570 CO 0.04 0.55 -1.06 1.28 -0.57 0.00 0.00 179.45 179.69 3lug n LEU 571 N -3.75 0.23 -0.22 2.94 4.32 -0.60 -5.02 117.00 114.90 3lug n LEU 571 Ca -0.01 -0.22 0.15 0.00 -0.02 0.00 0.00 56.01 55.91 3lug n LEU 571 Cb 0.58 0.00 0.76 0.00 -1.62 0.00 0.00 43.42 43.14 3lug n LEU 571 CO 0.41 0.06 1.00 0.61 -1.22 0.00 0.00 177.39 178.24