#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lug s GLN 441 N 0.00 4.24 0.12 1.97 -0.21 -1.26 -5.01 119.66 119.51 3lug s GLN 441 Ca 0.00 1.44 -0.31 0.00 0.02 0.00 0.00 55.36 56.51 3lug s GLN 441 Cb 0.00 -2.54 -0.07 0.00 1.00 0.00 0.00 33.01 31.39 3lug s GLN 441 CO 0.00 -0.06 1.31 0.12 -2.12 0.00 0.00 175.29 174.54 3lug s PHE 442 N -1.71 3.31 -0.16 0.91 5.36 -1.26 -4.96 117.98 119.48 3lug s PHE 442 Ca 0.57 1.13 -0.10 0.00 -0.96 0.00 0.00 56.93 57.56 3lug s PHE 442 Cb -0.20 -3.58 -0.05 0.00 -0.34 0.00 0.00 43.02 38.85 3lug s PHE 442 CO 0.25 -1.91 0.18 -1.01 -1.46 0.00 0.00 175.22 171.27 3lug s HIS 443 N 0.84 3.48 0.56 10.12 3.76 -1.26 -5.10 115.29 127.69 3lug s HIS 443 Ca 0.61 0.47 0.01 0.00 -0.15 0.00 0.00 55.06 55.99 3lug s HIS 443 Cb -0.34 -2.15 0.04 0.00 1.11 0.00 0.00 32.58 31.23 3lug s HIS 443 CO 0.32 0.41 0.79 0.95 -0.85 0.00 0.00 174.74 176.36 3lug s THR 444 N -0.03 2.63 0.00 1.30 -4.23 -1.26 -4.54 115.64 109.51 3lug s THR 444 Ca 0.12 -0.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.99 3lug s THR 444 Cb -0.12 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.73 3lug s THR 444 CO 0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 3lug n GLY 445 N -2.38 1.10 3.70 3.99 0.00 -1.26 -5.02 105.19 105.31 3lug n GLY 445 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3lug n GLY 445 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lug s ILE 446 N -3.12 4.91 -0.15 -0.61 1.01 -1.26 -5.03 121.20 116.94 3lug s ILE 446 Ca 0.00 1.80 -0.01 0.00 0.00 0.00 0.00 60.65 62.44 3lug s ILE 446 Cb 0.00 -4.20 0.04 0.00 0.01 0.00 0.00 42.46 38.31 3lug s ILE 446 CO 0.00 0.13 -0.03 -1.61 0.00 0.00 0.00 174.94 173.43 3lug s GLU 447 N 1.34 1.22 -0.81 2.79 2.02 -1.26 -3.59 118.70 120.40 3lug s GLU 447 Ca 0.45 -0.39 -0.18 0.00 0.02 0.00 0.00 54.97 54.86 3lug s GLU 447 Cb -0.19 -1.84 0.14 0.00 0.10 0.00 0.00 34.13 32.34 3lug s GLU 447 CO 0.20 -0.43 0.95 0.42 0.02 0.00 0.00 175.26 176.43 3lug s ILE 448 N 1.72 4.89 -0.12 -1.63 -1.09 -0.12 -4.85 121.20 120.00 3lug s ILE 448 Ca 0.01 -1.52 -0.07 0.00 -2.23 0.00 0.00 60.65 56.85 3lug s ILE 448 Cb -0.15 -4.65 -0.26 0.00 -1.58 0.00 0.00 42.46 35.82 3lug s ILE 448 CO -0.07 -1.33 0.37 1.17 -1.23 0.00 0.00 174.94 173.85 3lug n LYS 449 N 6.09 0.76 -3.86 2.79 4.81 -1.26 -1.04 118.16 126.45 3lug n LYS 449 Ca 0.12 0.26 -0.36 0.00 -0.87 0.00 0.00 58.31 57.47 3lug n LYS 449 Cb 0.47 -1.71 -0.13 0.00 0.02 0.00 0.00 35.03 33.68 3lug n LYS 449 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3lug s VAL 450 N -2.56 3.26 0.09 3.15 1.01 -1.26 -4.81 120.40 119.28 3lug s VAL 450 Ca -0.22 -1.26 -0.14 0.00 0.00 0.00 0.00 61.98 60.36 3lug s VAL 450 Cb 0.07 -2.85 0.02 0.00 0.00 0.00 0.00 36.38 33.62 3lug s VAL 450 CO 0.77 -0.11 0.32 -1.66 0.00 0.00 0.00 175.10 174.42 3lug s TRP 451 N 1.31 -0.09 0.13 5.22 1.48 -1.26 -0.41 118.94 125.32 3lug s TRP 451 Ca -0.04 -0.19 0.07 0.00 -1.06 0.00 0.00 56.10 54.88 3lug s TRP 451 Cb -0.19 0.12 -0.04 0.00 -1.16 0.00 0.00 33.47 32.20 3lug s TRP 451 CO 0.00 -0.59 -0.16 0.00 -4.06 0.00 0.00 176.95 172.14 3lug s ALA 452 N -3.37 1.64 -0.11 2.67 0.00 -0.35 -0.36 121.76 121.87 3lug s ALA 452 Ca 0.01 -1.33 0.01 0.00 0.00 0.00 0.00 51.96 50.64 3lug s ALA 452 Cb 0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 3lug s ALA 452 CO -0.09 0.16 -0.13 0.42 0.00 0.00 0.00 175.76 176.12 3lug s ILE 453 N -2.02 3.11 -0.28 0.00 1.01 -0.25 -0.69 121.20 122.07 3lug s ILE 453 Ca 0.10 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 60.13 3lug s ILE 453 Cb -0.06 -2.29 0.07 0.00 0.01 0.00 0.00 42.46 40.20 3lug s ILE 453 CO 0.04 0.54 -0.08 0.00 0.00 0.00 0.00 174.94 175.44 3lug s ALA 454 N 0.08 2.64 -0.44 9.38 0.00 -0.24 -2.24 121.76 130.93 3lug s ALA 454 Ca -0.05 -1.92 -0.16 0.00 0.00 0.00 0.00 51.96 49.82 3lug s ALA 454 Cb -0.15 -1.67 0.04 0.00 0.00 0.00 0.00 23.12 21.34 3lug s ALA 454 CO 0.04 -1.30 0.41 0.00 0.00 0.00 0.00 175.76 174.92 3lug n PHE 456 N 5.46 0.00 -2.73 0.00 3.72 -0.44 -1.17 117.46 122.31 3lug n PHE 456 Ca -0.09 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.95 3lug n PHE 456 Cb 0.46 -0.05 -0.06 0.00 -0.94 0.00 0.00 39.48 38.89 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 -2.25 3.14 0.40 4.37 0.00 -1.22 -4.57 121.76 121.64 3lug s ALA 457 Ca 0.30 0.54 -0.26 0.00 0.00 0.00 0.00 51.96 52.54 3lug s ALA 457 Cb 0.20 -3.20 -0.09 0.00 0.00 0.00 0.00 23.12 20.03 3lug s ALA 457 CO 0.43 0.07 1.36 -2.14 0.00 0.00 0.00 175.76 175.48 3lug s PRO 458 N -2.40 3.97 0.24 0.00 0.02 -1.26 -4.80 135.00 130.76 3lug s PRO 458 Ca 0.55 2.29 -0.06 0.00 0.02 0.00 0.00 61.00 63.80 3lug s PRO 458 Cb -0.17 -2.80 0.28 0.00 0.02 0.00 0.00 34.50 31.82 3lug s PRO 458 CO 0.22 -0.54 1.89 0.37 -0.33 0.00 0.00 177.00 178.61 3lug h GLN 459 N 2.73 1.13 0.00 5.54 4.15 -1.94 -0.24 115.11 126.48 3lug h GLN 459 Ca -0.50 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 58.85 3lug h GLN 459 Cb 1.25 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.68 3lug h GLN 459 CO 0.63 0.75 0.00 0.07 -1.93 0.00 0.00 178.83 178.35 3lug h ARG 460 N 1.17 0.00 0.02 1.69 0.11 -1.99 -2.63 114.38 112.75 3lug h ARG 460 Ca 0.36 0.00 -0.39 0.00 0.10 0.00 0.00 59.98 60.05 3lug h ARG 460 Cb -0.01 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.01 3lug h ARG 460 CO -0.11 0.00 -2.37 1.04 0.10 0.00 0.00 179.97 178.63 3lug n GLN 461 N -2.66 0.66 -3.95 0.08 6.02 -0.43 -4.76 117.38 112.34 3lug n GLN 461 Ca -0.01 0.20 -0.30 0.00 -0.01 0.00 0.00 57.00 56.88 3lug n GLN 461 Cb 0.13 -1.55 -0.14 0.00 1.02 0.00 0.00 30.24 29.70 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 -0.28 1.98 0.27 0.00 -4.23 -1.01 -4.41 115.64 107.95 3lug s THR 463 Ca 0.17 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.67 3lug s THR 463 Cb -0.26 -2.96 0.28 0.00 1.34 0.00 0.00 72.50 70.90 3lug s THR 463 CO -0.00 0.00 1.86 -0.33 -0.54 0.00 0.00 174.62 175.61 3lug h GLU 464 N -1.61 1.06 -0.00 3.99 4.39 -1.99 -1.18 114.58 119.24 3lug h GLU 464 Ca -0.45 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.05 3lug h GLU 464 Cb 1.26 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.65 3lug h GLU 464 CO 0.43 0.70 -0.64 -0.24 -1.16 0.00 0.00 179.01 178.10 3lug h VAL 465 N 1.09 1.46 -0.08 3.13 3.04 -1.98 0.84 116.25 123.75 3lug h VAL 465 Ca 0.47 -2.18 -0.01 0.00 -1.01 0.00 0.00 66.70 63.97 3lug h VAL 465 Cb 0.33 2.17 -0.00 0.00 -2.01 0.00 0.00 31.29 31.78 3lug h VAL 465 CO -0.22 0.62 0.02 0.45 -1.01 0.00 0.00 177.57 177.43 3lug h HIS 466 N 0.01 0.13 -0.41 3.17 3.86 -1.75 0.09 115.15 120.26 3lug h HIS 466 Ca -0.01 -0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.24 3lug h HIS 466 Cb 1.13 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 29.52 3lug h HIS 466 CO 0.00 0.32 0.13 -0.07 0.86 0.00 0.00 177.93 179.18 3lug h LEU 467 N -0.10 0.13 -0.66 2.43 3.38 -0.88 -0.45 115.31 119.15 3lug h LEU 467 Ca 0.02 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3lug h LEU 467 Cb 0.26 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3lug h LEU 467 CO 0.00 0.11 0.09 0.11 0.09 0.00 0.00 178.44 178.84 3lug h LYS 468 N 0.29 1.10 -0.12 1.13 1.79 -0.66 -1.19 116.57 118.92 3lug h LYS 468 Ca 0.19 -0.30 -0.12 0.00 -2.18 0.00 0.00 60.65 58.24 3lug h LYS 468 Cb 0.19 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 3lug h LYS 468 CO -0.21 1.02 -0.41 1.03 -1.08 0.00 0.00 179.45 179.81 3lug h SER 469 N 1.02 0.56 -0.62 0.86 0.87 -0.80 -1.47 113.55 113.97 3lug h SER 469 Ca 0.20 -0.61 0.07 0.00 -1.23 0.00 0.00 61.79 60.22 3lug h SER 469 Cb 0.46 -0.17 -0.06 0.00 -0.44 0.00 0.00 62.40 62.20 3lug h SER 469 CO 0.02 1.08 0.30 0.15 -0.53 0.00 0.00 176.83 177.85 3lug h PHE 470 N 0.08 0.55 -0.50 2.24 3.57 -1.03 -0.95 116.94 120.90 3lug h PHE 470 Ca -0.02 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 3lug h PHE 470 Cb 1.03 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 3lug h PHE 470 CO 0.11 0.23 0.20 1.15 -2.23 0.00 0.00 178.31 177.77 3lug h THR 471 N 0.55 1.21 -0.73 4.41 2.02 -1.09 -0.62 112.91 118.66 3lug h THR 471 Ca 0.29 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 3lug h THR 471 Cb 0.25 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 3lug h THR 471 CO -0.22 0.25 0.41 -0.08 0.37 0.00 0.00 175.52 176.24 3lug h GLU 472 N 0.67 1.01 -0.50 6.66 4.57 -0.66 0.54 114.58 126.87 3lug h GLU 472 Ca 0.17 -0.11 -0.08 0.00 -1.18 0.00 0.00 59.36 58.15 3lug h GLU 472 Cb 0.19 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 3lug h GLU 472 CO -0.01 0.75 -0.01 1.96 -1.18 0.00 0.00 179.01 180.52 3lug h GLN 473 N 1.00 0.85 -0.51 1.92 1.08 -0.92 -2.20 115.11 116.33 3lug h GLN 473 Ca 0.26 -0.24 -0.12 0.00 -1.45 0.00 0.00 58.65 57.10 3lug h GLN 473 Cb 0.02 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.35 3lug h GLN 473 CO -0.04 0.85 -0.16 1.25 -0.95 0.00 0.00 178.83 179.78 3lug h LEU 474 N 0.78 1.02 -0.46 1.46 5.85 -0.71 -2.50 115.31 120.76 3lug h LEU 474 Ca 0.15 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.55 3lug h LEU 474 Cb 0.48 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 3lug h LEU 474 CO 0.02 1.16 0.22 -0.09 -0.34 0.00 0.00 178.44 179.41 3lug h ARG 475 N 0.88 0.42 -0.10 1.25 2.43 -0.66 -1.36 114.38 117.24 3lug h ARG 475 Ca 0.13 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 3lug h ARG 475 Cb 0.73 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3lug h ARG 475 CO 0.06 0.28 -0.08 0.87 -1.51 0.00 0.00 179.97 179.58 3lug h LYS 476 N 0.43 0.23 -0.46 0.20 1.57 -1.32 -0.74 116.57 116.48 3lug h LYS 476 Ca 0.20 -0.11 -0.13 0.00 -1.87 0.00 0.00 60.65 58.74 3lug h LYS 476 Cb 0.13 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3lug h LYS 476 CO -0.16 0.62 -0.21 0.97 -0.57 0.00 0.00 179.45 180.11 3lug h ILE 477 N -0.16 1.27 -0.74 1.86 2.10 -1.44 -0.24 117.51 120.17 3lug h ILE 477 Ca 0.02 -1.37 -0.05 0.00 1.08 0.00 0.00 64.86 64.55 3lug h ILE 477 Cb 0.57 1.16 -0.03 0.00 -1.09 0.00 0.00 36.82 37.43 3lug h ILE 477 CO 0.02 0.47 0.29 0.77 -1.08 0.00 0.00 178.15 178.62 3lug h SER 478 N 0.81 1.03 -0.05 2.19 4.64 -1.25 -0.24 113.55 120.68 3lug h SER 478 Ca 0.11 -0.18 0.02 0.00 -0.47 0.00 0.00 61.79 61.27 3lug h SER 478 Cb 0.78 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 3lug h SER 478 CO 0.06 0.93 -0.06 -0.09 -0.87 0.00 0.00 176.83 176.81 3lug h ARG 479 N 1.07 -0.08 -0.52 4.77 2.43 -0.93 -0.11 114.38 121.02 3lug h ARG 479 Ca 0.25 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.39 3lug h ARG 479 Cb 0.23 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 3lug h ARG 479 CO -0.02 -0.05 0.21 -0.44 -1.51 0.00 0.00 179.97 178.16 3lug h ASP 480 N -0.08 0.67 0.98 -3.80 3.32 -0.54 -1.78 116.42 115.19 3lug h ASP 480 Ca 0.04 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3lug h ASP 480 Cb 0.14 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3lug h ASP 480 CO -0.10 0.61 0.00 0.00 -1.72 0.00 0.00 179.24 178.03 3lug n ALA 481 N -2.46 2.05 -0.73 3.45 0.00 -0.15 -4.92 120.51 117.76 3lug n ALA 481 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3lug n ALA 481 Cb 0.16 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 0.84 0.66 2.39 0.00 0.00 -0.67 -5.00 105.19 103.42 3lug n GLY 482 Ca 0.05 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.38 1.72 -1.79 1.61 0.00 -0.10 -4.39 117.12 111.79 3lug n MET 483 Ca 0.00 -3.94 -0.42 0.00 0.00 0.00 0.00 57.70 53.34 3lug n MET 483 Cb 0.05 -1.79 -0.03 0.00 0.00 0.00 0.00 33.22 31.45 3lug n MET 483 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3lug s PRO 484 N -2.25 4.16 -0.29 3.17 0.04 -1.20 -4.41 135.00 134.22 3lug s PRO 484 Ca 0.40 2.47 -0.16 0.00 0.04 0.00 0.00 61.00 63.76 3lug s PRO 484 Cb 0.23 -4.03 -0.03 0.00 0.04 0.00 0.00 34.50 30.71 3lug s PRO 484 CO -0.08 -0.90 0.40 0.42 0.04 0.00 0.00 177.00 176.88 3lug s ILE 485 N 4.10 5.14 0.56 0.56 1.01 -1.26 -0.94 121.20 130.37 3lug s ILE 485 Ca 0.83 0.52 -0.21 0.00 0.00 0.00 0.00 60.65 61.79 3lug s ILE 485 Cb -0.40 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 3lug s ILE 485 CO 0.37 0.08 1.27 0.00 0.00 0.00 0.00 174.94 176.66 3lug s GLN 486 N 2.13 3.12 0.46 2.79 -2.07 -0.21 -4.48 119.66 121.39 3lug s GLN 486 Ca 0.16 2.00 0.24 0.00 -1.82 0.00 0.00 55.36 55.94 3lug s GLN 486 Cb -0.16 -2.13 1.10 0.00 -1.09 0.00 0.00 33.01 30.73 3lug s GLN 486 CO 0.10 -1.13 1.92 0.78 -1.32 0.00 0.00 175.29 175.64 3lug h GLY 487 N 1.26 0.00 -7.59 2.60 0.00 -1.92 -3.41 103.07 94.02 3lug h GLY 487 Ca -0.50 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.12 3lug h GLY 487 CO 0.57 0.00 -0.54 1.62 0.00 0.00 0.00 176.54 178.19 3lug s GLN 488 N -3.90 2.71 0.52 4.80 2.00 -1.26 -4.86 119.66 119.67 3lug s GLN 488 Ca -0.01 -1.18 -0.20 0.00 -2.00 0.00 0.00 55.36 51.97 3lug s GLN 488 Cb 0.12 -3.65 -0.07 0.00 0.80 0.00 0.00 33.01 30.21 3lug s GLN 488 CO 0.63 -0.73 1.09 -1.25 -0.50 0.00 0.00 175.29 174.52 3lug s PRO 489 N 1.48 3.55 0.24 1.67 0.05 -1.26 -4.82 135.00 135.91 3lug s PRO 489 Ca 0.01 1.50 0.24 0.00 0.05 0.00 0.00 61.00 62.80 3lug s PRO 489 Cb -0.20 -2.04 0.94 0.00 0.05 0.00 0.00 34.50 33.25 3lug s PRO 489 CO 0.05 -0.67 1.72 0.00 0.05 0.00 0.00 177.00 178.15 3lug s PHE 491 N -3.27 -0.81 -0.26 0.00 5.36 -1.26 -5.04 117.98 112.70 3lug s PHE 491 Ca 0.06 1.89 -0.01 0.00 -0.96 0.00 0.00 56.93 57.91 3lug s PHE 491 Cb 0.10 0.33 0.15 0.00 -0.34 0.00 0.00 43.02 43.26 3lug s PHE 491 CO 0.43 -0.39 0.41 0.00 -1.46 0.00 0.00 175.22 174.21 3lug s LYS 493 N 2.58 0.47 0.28 0.00 1.02 -0.95 -5.00 119.74 118.14 3lug s LYS 493 Ca 0.13 -0.81 -0.20 0.00 0.02 0.00 0.00 55.97 55.11 3lug s LYS 493 Cb -0.14 -0.03 -0.09 0.00 -0.52 0.00 0.00 37.83 37.05 3lug s LYS 493 CO -0.21 -0.02 0.78 0.71 -0.92 0.00 0.00 175.35 175.69 3lug s TYR 494 N -1.98 3.57 0.11 3.18 2.02 -1.26 -0.83 117.35 122.16 3lug s TYR 494 Ca -0.08 1.43 -0.06 0.00 -0.37 0.00 0.00 57.07 57.99 3lug s TYR 494 Cb -0.06 -2.67 -0.02 0.00 -0.40 0.00 0.00 41.96 38.81 3lug s TYR 494 CO -0.02 0.23 0.15 0.00 -1.57 0.00 0.00 175.55 174.33 3lug s ALA 495 N -1.69 0.15 -0.09 3.71 0.00 -0.32 -4.89 121.76 118.64 3lug s ALA 495 Ca 0.48 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.50 3lug s ALA 495 Cb -0.15 0.60 0.02 0.00 0.00 0.00 0.00 23.12 23.59 3lug s ALA 495 CO 0.20 -0.51 -0.07 -0.65 0.00 0.00 0.00 175.76 174.72 3lug s GLN 496 N -3.93 1.38 0.00 0.00 -0.21 -1.26 -4.08 119.66 111.56 3lug s GLN 496 Ca 0.11 -0.23 0.00 0.00 0.02 0.00 0.00 55.36 55.26 3lug s GLN 496 Cb 0.06 -1.38 0.00 0.00 1.00 0.00 0.00 33.01 32.68 3lug s GLN 496 CO -0.06 -0.18 0.00 0.41 -2.12 0.00 0.00 175.29 173.34 3lug n GLY 497 N 4.58 0.22 0.34 3.09 0.00 -1.26 -4.36 105.19 107.80 3lug n GLY 497 Ca -0.16 -1.54 0.09 0.00 0.00 0.00 0.00 46.02 44.41 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 1.88 0.00 4.61 0.00 -1.93 -1.22 119.26 122.60 3lug h ALA 498 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3lug h ALA 498 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3lug h ALA 498 CO 0.00 0.01 0.00 -0.44 0.00 0.00 0.00 179.25 178.82 3lug h ASP 499 N 0.52 0.00 1.46 0.00 5.19 -1.97 -2.30 116.42 119.32 3lug h ASP 499 Ca 0.26 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 3lug h ASP 499 Cb 0.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.87 3lug h ASP 499 CO -0.08 0.00 -0.39 0.28 -3.12 0.00 0.00 179.24 175.94 3lug h SER 500 N 0.00 0.00 0.42 6.45 0.02 -1.41 -3.38 113.55 115.65 3lug h SER 500 Ca 0.00 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 3lug h SER 500 Cb 0.23 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 3lug h SER 500 CO 0.00 0.02 -0.36 0.58 -1.14 0.00 0.00 176.83 175.93 3lug h VAL 501 N 0.00 0.26 -0.22 2.27 2.07 -1.52 -2.26 116.25 116.86 3lug h VAL 501 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3lug h VAL 501 Cb 0.93 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3lug h VAL 501 CO 0.00 0.00 0.13 -0.08 0.02 0.00 0.00 177.57 177.64 3lug h GLU 502 N -0.79 0.29 -0.86 1.57 4.81 -1.76 -0.45 114.58 117.40 3lug h GLU 502 Ca -0.04 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.20 3lug h GLU 502 Cb 0.69 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.96 3lug h GLU 502 CO -0.02 0.23 0.57 -1.35 -0.73 0.00 0.00 179.01 177.70 3lug h PRO 503 N 0.27 1.04 -0.27 0.92 0.11 -1.76 -1.18 132.00 131.13 3lug h PRO 503 Ca 0.08 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.06 3lug h PRO 503 Cb 0.01 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 30.88 3lug h PRO 503 CO -0.02 0.69 -0.09 1.98 -0.21 0.00 0.00 178.00 180.35 3lug h MET 504 N 1.07 0.53 -0.49 1.05 1.85 -0.88 -1.86 114.93 116.20 3lug h MET 504 Ca 0.34 -0.22 -0.11 0.00 -0.61 0.00 0.00 59.70 59.11 3lug h MET 504 Cb 0.04 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.02 3lug h MET 504 CO -0.10 0.76 -0.13 0.74 -0.40 0.00 0.00 176.91 177.78 3lug h PHE 505 N 0.28 1.03 -0.12 1.39 -1.00 -0.91 0.27 116.94 117.88 3lug h PHE 505 Ca 0.06 -0.21 0.01 0.00 2.81 0.00 0.00 57.97 60.64 3lug h PHE 505 Cb 0.58 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.88 3lug h PHE 505 CO 0.06 0.99 0.04 0.00 -1.61 0.00 0.00 178.31 177.78 3lug h ARG 506 N 0.82 0.10 -0.75 1.51 3.08 -1.19 -0.75 114.38 117.19 3lug h ARG 506 Ca 0.13 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.26 3lug h ARG 506 Cb 0.67 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.63 3lug h ARG 506 CO 0.05 0.06 0.41 1.25 -1.07 0.00 0.00 179.97 180.67 3lug h HIS 507 N 0.10 0.74 -0.12 3.04 2.76 -0.94 0.13 115.15 120.87 3lug h HIS 507 Ca 0.05 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 3lug h HIS 507 Cb 0.03 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 28.76 3lug h HIS 507 CO -0.10 0.30 0.05 -0.07 -1.30 0.00 0.00 177.93 176.81 3lug h LEU 508 N 0.70 0.15 -0.97 0.26 3.38 -0.61 -1.25 115.31 116.97 3lug h LEU 508 Ca 0.36 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.24 3lug h LEU 508 Cb 0.33 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 3lug h LEU 508 CO -0.24 0.25 0.63 0.50 0.09 0.00 0.00 178.44 179.67 3lug h LYS 509 N 0.05 1.14 0.00 1.13 3.64 -0.75 -1.12 116.57 120.66 3lug h LYS 509 Ca 0.04 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3lug h LYS 509 Cb 0.14 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3lug h LYS 509 CO -0.00 0.76 0.00 0.09 -2.27 0.00 0.00 179.45 178.02 3lug n ASN 510 N -4.50 0.23 -0.03 4.20 3.02 0.44 -4.24 115.26 114.38 3lug n ASN 510 Ca 0.14 0.53 -0.04 0.00 -0.03 0.00 0.00 54.58 55.18 3lug n ASN 510 Cb 0.14 -0.59 -0.03 0.00 -0.61 0.00 0.00 39.78 38.68 3lug n ASN 510 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3lug n THR 511 N -1.73 0.39 -3.77 3.41 -1.04 -0.50 -4.96 114.28 106.08 3lug n THR 511 Ca 0.05 -0.17 -0.37 0.00 -2.04 0.00 0.00 64.05 61.53 3lug n THR 511 Cb 0.31 -0.77 -0.12 0.00 -1.82 0.00 0.00 70.33 67.93 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 -2.14 3.46 0.35 -1.42 2.02 -0.50 -5.08 117.35 114.04 3lug s TYR 512 Ca -0.08 -2.10 -0.28 0.00 -0.37 0.00 0.00 57.07 54.25 3lug s TYR 512 Cb 0.02 -2.91 -0.10 0.00 -0.40 0.00 0.00 41.96 38.58 3lug s TYR 512 CO 0.18 -0.91 1.29 0.00 -1.57 0.00 0.00 175.55 174.54 3lug s ALA 513 N 1.23 3.41 -0.12 3.71 0.00 -1.26 -2.95 121.76 125.77 3lug s ALA 513 Ca 0.04 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.23 3lug s ALA 513 Cb -0.22 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.43 3lug s ALA 513 CO -0.02 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.48 3lug n GLY 514 N 0.76 0.44 3.68 0.00 0.00 -1.26 -4.95 105.19 103.85 3lug n GLY 514 Ca 0.01 -0.13 -0.54 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.13 2.48 -0.06 0.99 7.94 -1.15 -4.59 117.00 122.47 3lug n LEU 515 Ca -0.01 1.07 -0.02 0.00 -1.11 0.00 0.00 56.01 55.93 3lug n LEU 515 Cb 0.16 -1.22 -0.15 0.00 0.53 0.00 0.00 43.42 42.75 3lug n LEU 515 CO 0.02 -0.49 -0.96 0.00 -1.11 0.00 0.00 177.39 174.85 3lug n GLN 516 N 4.84 0.87 -3.63 1.96 6.02 0.45 -4.97 117.38 122.92 3lug n GLN 516 Ca 0.23 -0.07 -0.13 0.00 -0.01 0.00 0.00 57.00 57.02 3lug n GLN 516 Cb 0.19 -1.47 -0.07 0.00 1.02 0.00 0.00 30.24 29.91 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 -4.99 -0.73 -0.18 1.08 2.96 -1.23 -4.55 118.68 111.05 3lug s LEU 517 Ca -0.08 1.40 -0.01 0.00 -0.22 0.00 0.00 54.13 55.22 3lug s LEU 517 Cb 0.08 2.42 0.00 0.00 0.50 0.00 0.00 46.19 49.19 3lug s LEU 517 CO 0.77 -0.24 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.73 3lug s VAL 518 N 0.38 2.68 -0.23 1.68 1.01 -0.77 -1.21 120.40 123.94 3lug s VAL 518 Ca 0.00 -0.74 -0.14 0.00 0.00 0.00 0.00 61.98 61.09 3lug s VAL 518 Cb -0.05 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 3lug s VAL 518 CO 0.00 0.50 0.34 -0.69 0.00 0.00 0.00 175.10 175.25 3lug s VAL 519 N 1.14 5.23 -0.19 2.92 1.01 0.13 -1.02 120.40 129.62 3lug s VAL 519 Ca 0.01 0.55 -0.02 0.00 0.00 0.00 0.00 61.98 62.52 3lug s VAL 519 Cb -0.14 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 3lug s VAL 519 CO -0.05 0.25 -0.10 -0.69 0.00 0.00 0.00 175.10 174.51 3lug s VAL 520 N 1.42 2.94 -0.20 2.92 1.01 -0.08 -1.08 120.40 127.33 3lug s VAL 520 Ca 0.15 -0.65 -0.16 0.00 0.00 0.00 0.00 61.98 61.32 3lug s VAL 520 Cb -0.15 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 3lug s VAL 520 CO 0.08 0.47 0.43 -0.63 0.00 0.00 0.00 175.10 175.44 3lug s ILE 521 N 1.24 5.18 -0.11 2.22 -1.09 -0.45 -0.98 121.20 127.21 3lug s ILE 521 Ca 0.03 0.77 -0.02 0.00 -2.23 0.00 0.00 60.65 59.19 3lug s ILE 521 Cb -0.14 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 36.95 3lug s ILE 521 CO -0.04 0.24 -0.03 -0.76 -1.23 0.00 0.00 174.94 173.12 3lug s LEU 522 N 1.36 3.38 -1.28 2.97 1.43 0.08 -1.32 118.68 125.30 3lug s LEU 522 Ca 0.20 0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 53.17 3lug s LEU 522 Cb -0.15 -1.78 0.13 0.00 0.03 0.00 0.00 46.19 44.42 3lug s LEU 522 CO 0.08 0.29 1.69 -0.81 0.23 0.00 0.00 176.35 177.83 3lug n PRO 523 N 2.72 3.31 0.00 1.29 -0.04 -1.26 -0.48 135.00 140.54 3lug n PRO 523 Ca -0.18 -3.50 0.00 0.00 -0.04 0.00 0.00 63.50 59.78 3lug n PRO 523 Cb 0.53 -3.17 0.00 0.00 -0.04 0.00 0.00 33.50 30.82 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 4.21 0.33 3.61 0.55 0.00 -1.26 -4.67 105.19 107.96 3lug n GLY 524 Ca 0.42 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 3.95 0.17 1.61 1.02 -1.26 -5.00 119.74 120.22 3lug s LYS 525 Ca 0.00 0.58 -0.14 0.00 0.02 0.00 0.00 55.97 56.44 3lug s LYS 525 Cb 0.00 -3.74 0.01 0.00 -0.52 0.00 0.00 37.83 33.59 3lug s LYS 525 CO 0.00 -0.70 0.40 0.95 -0.92 0.00 0.00 175.35 175.08 3lug s THR 526 N 3.00 0.05 -0.76 2.17 -4.23 -1.26 -5.01 115.64 109.60 3lug s THR 526 Ca 0.33 -1.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.93 3lug s THR 526 Cb -0.14 -1.61 0.10 0.00 1.34 0.00 0.00 72.50 72.18 3lug s THR 526 CO 0.13 -0.24 1.31 -2.65 -0.54 0.00 0.00 174.62 172.63 3lug n PRO 527 N -0.26 0.05 -0.15 3.99 -0.02 -1.26 -2.66 135.00 134.69 3lug n PRO 527 Ca -0.10 0.48 0.01 0.00 -2.02 0.00 0.00 63.50 61.87 3lug n PRO 527 Cb 0.63 -1.64 0.29 0.00 -0.02 0.00 0.00 33.50 32.75 3lug n PRO 527 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3lug h VAL 528 N 0.00 1.17 0.11 -1.45 2.07 -1.94 -2.59 116.25 113.62 3lug h VAL 528 Ca 0.00 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 3lug h VAL 528 Cb 0.08 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3lug h VAL 528 CO 0.00 0.18 -0.05 0.22 0.02 0.00 0.00 177.57 177.93 3lug h TYR 529 N 0.87 -0.13 -0.96 1.57 5.03 -1.90 0.09 116.97 121.54 3lug h TYR 529 Ca 0.23 -0.00 0.10 0.00 2.58 0.00 0.00 58.73 61.64 3lug h TYR 529 Cb -0.06 0.04 -0.08 0.00 1.55 0.00 0.00 36.73 38.18 3lug h TYR 529 CO 0.00 0.05 0.59 0.00 -1.32 0.00 0.00 178.16 177.49 3lug h ALA 530 N 0.57 1.40 -0.33 1.82 0.00 -1.74 -2.06 119.26 118.92 3lug h ALA 530 Ca -0.01 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 3lug h ALA 530 Cb 0.25 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3lug h ALA 530 CO 0.02 0.23 -0.36 1.49 0.00 0.00 0.00 179.25 180.63 3lug h GLU 531 N 0.98 0.83 -0.61 0.00 4.57 -1.17 -0.99 114.58 118.19 3lug h GLU 531 Ca 0.46 -0.45 0.07 0.00 -1.18 0.00 0.00 59.36 58.26 3lug h GLU 531 Cb 0.39 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.94 3lug h GLU 531 CO -0.24 1.09 0.28 0.28 -1.18 0.00 0.00 179.01 179.24 3lug h VAL 532 N 0.62 0.87 -0.47 0.32 2.07 -0.55 -0.72 116.25 118.39 3lug h VAL 532 Ca 0.05 -0.18 -0.13 0.00 0.82 0.00 0.00 66.70 67.27 3lug h VAL 532 Cb 0.95 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3lug h VAL 532 CO 0.09 0.09 -0.21 0.11 0.02 0.00 0.00 177.57 177.68 3lug h LYS 533 N 0.51 0.97 -0.34 1.57 1.79 -1.23 -0.05 116.57 119.79 3lug h LYS 533 Ca 0.29 -0.41 0.02 0.00 -2.18 0.00 0.00 60.65 58.37 3lug h LYS 533 Cb 0.28 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.87 3lug h LYS 533 CO -0.24 1.08 0.17 -0.09 -1.08 0.00 0.00 179.45 179.30 3lug h ARG 534 N 0.81 0.35 -0.02 3.15 2.43 -0.68 -0.27 114.38 120.15 3lug h ARG 534 Ca 0.11 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 59.09 3lug h ARG 534 Cb 0.78 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 30.27 3lug h ARG 534 CO 0.06 0.23 -0.63 0.28 -1.51 0.00 0.00 179.97 178.40 3lug h VAL 535 N 0.36 1.40 0.27 0.20 2.07 -1.05 -1.56 116.25 117.95 3lug h VAL 535 Ca 0.14 -2.06 -0.01 0.00 0.82 0.00 0.00 66.70 65.59 3lug h VAL 535 Cb 0.05 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 3lug h VAL 535 CO -0.09 0.61 -0.13 1.23 0.02 0.00 0.00 177.57 179.20 3lug h GLY 536 N -0.01 -0.38 1.47 2.17 0.00 -0.99 0.14 103.07 105.45 3lug h GLY 536 Ca -0.07 0.14 -0.26 0.00 0.00 0.00 0.00 47.33 47.14 3lug h GLY 536 CO 0.13 -0.14 -1.08 -0.55 0.00 0.00 0.00 176.54 174.89 3lug h ASP 537 N -0.77 0.62 0.00 0.19 3.32 -1.18 0.46 116.42 119.06 3lug h ASP 537 Ca -0.04 -0.54 -0.30 0.00 0.02 0.00 0.00 57.03 56.17 3lug h ASP 537 Cb 0.50 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.81 3lug h ASP 537 CO 0.06 1.36 -2.07 0.41 -1.72 0.00 0.00 179.24 177.28 3lug n THR 538 N -3.72 1.07 -0.05 0.35 -1.04 -0.67 -4.44 114.28 105.78 3lug n THR 538 Ca -0.09 -0.36 -0.19 0.00 -2.04 0.00 0.00 64.05 61.37 3lug n THR 538 Cb 0.91 -1.37 -0.13 0.00 -1.82 0.00 0.00 70.33 67.93 3lug n THR 538 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3lug h VAL 539 N -0.24 1.33 0.00 12.58 2.07 -1.08 -3.42 116.25 127.49 3lug h VAL 539 Ca -0.44 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 64.74 3lug h VAL 539 Cb 1.57 2.88 0.00 0.00 -1.52 0.00 0.00 31.29 34.23 3lug h VAL 539 CO -0.15 0.56 -0.67 0.18 0.02 0.00 0.00 177.57 177.52 3lug n LEU 540 N -4.34 0.35 -3.37 2.57 4.77 0.45 -5.01 117.00 112.42 3lug n LEU 540 Ca -0.20 -0.39 -0.16 0.00 -0.03 0.00 0.00 56.01 55.22 3lug n LEU 540 Cb 0.68 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.85 3lug n LEU 540 CO 0.33 0.09 0.09 0.61 -1.33 0.00 0.00 177.39 177.18 3lug n GLY 541 N 1.38 -0.56 3.26 -0.72 0.00 -0.46 -5.01 105.19 103.08 3lug n GLY 541 Ca 0.01 0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 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 -5.10 3.19 0.17 1.61 1.00 0.15 -5.01 119.30 115.31 3lug s MET 542 Ca 0.12 -0.76 -0.31 0.00 0.00 0.00 0.00 55.69 54.73 3lug s MET 542 Cb -0.02 -2.60 -0.10 0.00 0.00 0.00 0.00 34.83 32.12 3lug s MET 542 CO 0.73 0.02 1.53 0.00 0.00 0.00 0.00 175.02 177.30 3lug s ALA 543 N 0.79 3.74 0.05 3.03 0.00 -1.26 -4.24 121.76 123.88 3lug s ALA 543 Ca -0.06 1.33 0.03 0.00 0.00 0.00 0.00 51.96 53.26 3lug s ALA 543 Cb -0.15 -3.61 -0.03 0.00 0.00 0.00 0.00 23.12 19.33 3lug s ALA 543 CO 0.00 -0.75 -0.09 0.95 0.00 0.00 0.00 175.76 175.86 3lug s THR 544 N 1.03 0.68 -0.05 0.00 -4.23 -1.26 -1.84 115.64 109.97 3lug s THR 544 Ca 0.68 -1.21 -0.01 0.00 -1.18 0.00 0.00 61.69 59.97 3lug s THR 544 Cb -0.43 -0.80 0.03 0.00 1.34 0.00 0.00 72.50 72.64 3lug s THR 544 CO 0.32 -0.39 0.03 -1.58 -0.54 0.00 0.00 174.62 172.46 3lug s GLN 545 N -1.81 0.19 0.28 3.99 2.00 -0.19 -4.94 119.66 119.19 3lug s GLN 545 Ca -0.06 0.25 -0.06 0.00 -2.00 0.00 0.00 55.36 53.49 3lug s GLN 545 Cb -0.09 -0.66 -0.06 0.00 0.80 0.00 0.00 33.01 33.01 3lug s GLN 545 CO 0.00 -0.30 0.56 0.00 -0.50 0.00 0.00 175.29 175.06 3lug s VAL 547 N -2.03 0.04 0.24 0.00 0.11 -0.15 -4.88 120.40 113.73 3lug s VAL 547 Ca 0.45 -0.35 -0.30 0.00 -2.93 0.00 0.00 61.98 58.85 3lug s VAL 547 Cb -0.11 -0.48 -0.09 0.00 -1.53 0.00 0.00 36.38 34.18 3lug s VAL 547 CO 0.28 -0.19 0.96 -1.10 -3.33 0.00 0.00 175.10 171.71 3lug s GLN 548 N -0.78 4.83 0.33 1.54 -1.52 -1.26 -0.74 119.66 122.06 3lug s GLN 548 Ca -0.09 1.52 0.11 0.00 -1.95 0.00 0.00 55.36 54.96 3lug s GLN 548 Cb -0.05 -3.27 0.94 0.00 -0.22 0.00 0.00 33.01 30.41 3lug s GLN 548 CO 0.02 0.48 1.72 1.98 -0.25 0.00 0.00 175.29 179.24 3lug h MET 549 N 4.15 0.50 -0.05 2.91 1.85 -1.12 0.46 114.93 123.62 3lug h MET 549 Ca -0.45 -0.03 -0.03 0.00 -0.61 0.00 0.00 59.70 58.58 3lug h MET 549 Cb 1.20 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 33.11 3lug h MET 549 CO 0.68 0.33 -0.10 1.57 -0.40 0.00 0.00 176.91 178.99 3lug h LYS 550 N 0.52 0.08 -0.00 0.39 2.10 -1.92 -0.13 116.57 117.61 3lug h LYS 550 Ca 0.66 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.30 3lug h LYS 550 Cb 1.34 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 3lug h LYS 550 CO -0.49 0.19 -0.18 0.09 -2.00 0.00 0.00 179.45 177.05 3lug n ASN 551 N -4.38 0.35 -0.05 7.07 3.02 0.13 -2.14 115.26 119.27 3lug n ASN 551 Ca -0.02 -0.18 -0.20 0.00 -0.03 0.00 0.00 54.58 54.14 3lug n ASN 551 Cb 0.20 -0.11 -0.13 0.00 -0.61 0.00 0.00 39.78 39.13 3lug n ASN 551 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3lug n VAL 552 N -1.25 1.66 -0.21 2.41 0.31 -0.69 -3.87 118.33 116.70 3lug n VAL 552 Ca 0.10 -0.60 -0.07 0.00 -0.01 0.00 0.00 64.34 63.76 3lug n VAL 552 Cb 0.31 -1.63 0.03 0.00 -0.91 0.00 0.00 33.84 31.63 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 -0.01 0.86 -3.39 5.55 4.20 -1.07 -3.41 115.11 117.85 3lug h GLN 553 Ca -0.49 -0.15 -0.49 0.00 0.06 0.00 0.00 58.65 57.58 3lug h GLN 553 Cb 1.95 -0.14 -0.40 0.00 0.30 0.00 0.00 27.48 29.19 3lug h GLN 553 CO 0.00 0.73 -0.76 1.03 -0.67 0.00 0.00 178.83 179.16 3lug s ARG 554 N -5.60 0.44 0.47 1.46 1.81 -0.91 -5.00 118.95 111.63 3lug s ARG 554 Ca -0.13 -0.27 -0.04 0.00 -1.72 0.00 0.00 55.73 53.57 3lug s ARG 554 Cb 0.13 -1.94 -0.02 0.00 -0.45 0.00 0.00 34.95 32.66 3lug s ARG 554 CO 0.79 -0.63 0.75 0.95 -0.68 0.00 0.00 175.30 176.48 3lug s THR 555 N 1.96 4.60 0.06 0.02 -4.23 -1.25 -4.31 115.64 112.49 3lug s THR 555 Ca 0.00 -0.04 0.01 0.00 -1.18 0.00 0.00 61.69 60.48 3lug s THR 555 Cb -0.16 -3.74 -0.03 0.00 1.34 0.00 0.00 72.50 69.90 3lug s THR 555 CO -0.08 -0.66 -0.05 0.42 -0.54 0.00 0.00 174.62 173.70 3lug s THR 556 N -2.69 0.44 0.26 3.99 -4.23 -1.26 -5.04 115.64 107.11 3lug s THR 556 Ca 0.47 -1.46 -0.01 0.00 -1.18 0.00 0.00 61.69 59.51 3lug s THR 556 Cb -0.10 -1.06 0.24 0.00 1.34 0.00 0.00 72.50 72.92 3lug s THR 556 CO 0.42 -0.69 1.79 -0.65 -0.54 0.00 0.00 174.62 174.96 3lug h PRO 557 N 3.77 0.73 -0.75 3.99 0.11 -1.99 -1.20 132.00 136.66 3lug h PRO 557 Ca -0.35 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.68 3lug h PRO 557 Cb 1.18 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 3lug h PRO 557 CO 0.53 0.48 0.32 0.37 -0.21 0.00 0.00 178.00 179.50 3lug h GLN 558 N 0.75 1.11 -0.03 1.05 4.15 -1.98 0.34 115.11 120.50 3lug h GLN 558 Ca 0.45 -0.19 -0.18 0.00 0.77 0.00 0.00 58.65 59.50 3lug h GLN 558 Cb 0.54 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 3lug h GLN 558 CO -0.31 0.89 -0.78 1.79 -1.93 0.00 0.00 178.83 178.50 3lug h THR 559 N 1.07 1.44 -0.56 2.39 1.35 -1.82 -1.26 112.91 115.53 3lug h THR 559 Ca 0.25 -2.36 -0.11 0.00 -0.55 0.00 0.00 66.41 63.64 3lug h THR 559 Cb 0.18 2.28 -0.02 0.00 -1.73 0.00 0.00 68.15 68.87 3lug h THR 559 CO -0.02 0.69 -0.08 -0.07 -0.25 0.00 0.00 175.52 175.79 3lug h LEU 560 N 0.15 1.02 -0.38 3.87 3.38 -1.06 -2.29 115.31 120.00 3lug h LEU 560 Ca -0.03 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 3lug h LEU 560 Cb 1.36 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 3lug h LEU 560 CO 0.12 1.11 0.21 -1.28 0.09 0.00 0.00 178.44 178.70 3lug h SER 561 N 0.92 0.48 -0.88 -0.43 0.87 -0.81 -0.79 113.55 112.90 3lug h SER 561 Ca 0.15 -0.08 0.11 0.00 -1.23 0.00 0.00 61.79 60.74 3lug h SER 561 Cb 0.64 -0.12 -0.08 0.00 -0.44 0.00 0.00 62.40 62.40 3lug h SER 561 CO 0.04 0.42 0.51 0.78 -0.53 0.00 0.00 176.83 178.06 3lug h ASN 562 N 0.49 0.72 -0.26 6.23 -0.26 -1.03 -1.58 115.58 119.88 3lug h ASN 562 Ca 0.14 0.06 -0.06 0.00 -0.56 0.00 0.00 56.30 55.88 3lug h ASN 562 Cb 0.05 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 3lug h ASN 562 CO -0.02 0.38 -0.06 0.25 -1.06 0.00 0.00 177.43 176.91 3lug h LEU 563 N 0.81 0.51 -0.95 1.61 5.85 -1.04 -2.14 115.31 119.96 3lug h LEU 563 Ca 0.44 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.80 3lug h LEU 563 Cb 0.47 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 3lug h LEU 563 CO -0.28 0.75 0.61 0.00 -0.34 0.00 0.00 178.44 179.19 3lug h LEU 565 N 1.29 0.63 -0.48 0.00 3.38 -1.19 0.19 115.31 119.14 3lug h LEU 565 Ca 0.35 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3lug h LEU 565 Cb -0.13 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 3lug h LEU 565 CO -0.07 0.81 0.27 0.11 0.09 0.00 0.00 178.44 179.66 3lug h LYS 566 N 0.43 0.53 -0.73 1.13 1.57 -1.20 -1.17 116.57 117.13 3lug h LYS 566 Ca 0.09 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3lug h LYS 566 Cb 0.51 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 3lug h LYS 566 CO 0.03 0.35 0.41 0.82 -0.57 0.00 0.00 179.45 180.49 3lug h ILE 567 N 0.55 1.21 -0.54 1.86 2.04 -0.83 -1.93 117.51 119.87 3lug h ILE 567 Ca 0.19 -0.51 -0.12 0.00 1.00 0.00 0.00 64.86 65.43 3lug h ILE 567 Cb 0.03 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 3lug h ILE 567 CO -0.10 0.23 -0.11 -1.13 0.00 0.00 0.00 178.15 177.04 3lug h ASN 568 N 1.01 1.03 -0.11 1.72 -0.73 -0.07 -1.22 115.58 117.21 3lug h ASN 568 Ca 0.26 -0.34 -0.01 0.00 1.87 0.00 0.00 56.30 58.08 3lug h ASN 568 Cb 0.00 -0.28 -0.00 0.00 0.27 0.00 0.00 38.32 38.31 3lug h ASN 568 CO -0.04 1.14 0.03 0.58 -0.37 0.00 0.00 177.43 178.77 3lug h VAL 569 N 0.91 1.18 -0.37 2.57 2.07 -1.02 -0.28 116.25 121.31 3lug h VAL 569 Ca 0.14 -0.54 0.04 0.00 0.82 0.00 0.00 66.70 67.16 3lug h VAL 569 Cb 0.68 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 3lug h VAL 569 CO 0.05 0.16 0.16 0.11 0.02 0.00 0.00 177.57 178.07 3lug h LYS 570 N -0.01 0.33 -0.02 1.57 1.57 -1.11 -3.09 116.57 115.80 3lug h LYS 570 Ca 0.04 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3lug h LYS 570 Cb 0.22 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3lug h LYS 570 CO -0.00 0.22 -0.08 1.28 -0.57 0.00 0.00 179.45 180.30 3lug n LEU 571 N -4.97 2.33 -0.03 2.94 4.77 -0.48 -5.12 117.00 116.44 3lug n LEU 571 Ca 0.01 -0.78 0.16 0.00 -0.03 0.00 0.00 56.01 55.37 3lug n LEU 571 Cb 0.11 -0.01 0.92 0.00 -2.33 0.00 0.00 43.42 42.12 3lug n LEU 571 CO 0.29 0.39 1.09 0.61 -1.33 0.00 0.00 177.39 178.45