#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qlv s LYS 461 N 0.00 0.50 -0.29 2.98 0.00 -1.26 -5.16 119.74 116.51 2qlv s LYS 461 Ca 0.00 1.08 -0.17 0.00 0.00 0.00 0.00 55.97 56.88 2qlv s LYS 461 Cb 0.00 0.25 0.15 0.00 0.00 0.00 0.00 37.83 38.23 2qlv s LYS 461 CO 0.00 -0.18 1.01 -1.21 0.00 0.00 0.00 175.35 174.97 2qlv s GLU 462 N 1.98 0.35 0.00 1.78 0.41 -1.26 -5.15 118.70 116.82 2qlv s GLU 462 Ca -0.07 0.59 0.00 0.00 -0.41 0.00 0.00 54.97 55.08 2qlv s GLU 462 Cb -0.09 0.08 0.00 0.00 -1.78 0.00 0.00 34.13 32.34 2qlv s GLU 462 CO -0.16 -0.07 0.00 0.39 -0.49 0.00 0.00 175.26 174.93 2qlv n GLU 463 N 3.49 1.31 0.00 1.61 -0.58 -1.26 -4.75 120.64 120.47 2qlv n GLU 463 Ca -0.18 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.56 2qlv n GLU 463 Cb 0.57 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.44 2qlv n GLU 463 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2qlv n ASP 464 N 0.00 0.00 -4.67 1.62 5.75 -1.26 -4.75 116.55 113.25 2qlv n ASP 464 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 54.79 54.47 2qlv n ASP 464 Cb 0.00 0.00 0.17 0.00 -1.03 0.00 0.00 41.12 40.26 2qlv n ASP 464 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2qlv n SER 465 N -0.82 0.35 -0.78 -1.12 2.88 -1.26 -4.95 113.62 107.92 2qlv n SER 465 Ca 0.00 0.43 0.02 0.00 -1.33 0.00 0.00 58.87 57.99 2qlv n SER 465 Cb 0.00 -1.48 0.01 0.00 -0.75 0.00 0.00 64.21 62.00 2qlv n SER 465 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2qlv n THR 466 N -4.18 0.08 -3.57 2.46 -1.04 -1.26 -5.05 114.28 101.72 2qlv n THR 466 Ca 0.12 -0.40 -0.36 0.00 -2.04 0.00 0.00 64.05 61.37 2qlv n THR 466 Cb 0.52 0.62 -0.08 0.00 -1.82 0.00 0.00 70.33 69.57 2qlv n THR 466 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2qlv s VAL 467 N -0.12 5.32 0.14 12.58 1.01 -1.26 -5.07 120.40 133.00 2qlv s VAL 467 Ca 0.11 0.43 -0.25 0.00 0.00 0.00 0.00 61.98 62.27 2qlv s VAL 467 Cb 0.13 -3.59 0.07 0.00 0.00 0.00 0.00 36.38 32.98 2qlv s VAL 467 CO -0.05 0.36 0.92 -0.94 0.00 0.00 0.00 175.10 175.39 2qlv s SER 468 N 0.68 -0.23 -0.26 3.32 1.04 -1.26 -5.13 113.70 111.86 2qlv s SER 468 Ca 0.13 -0.34 -0.26 0.00 0.48 0.00 0.00 55.95 55.96 2qlv s SER 468 Cb -0.13 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2qlv s SER 468 CO 0.04 -0.89 0.92 -0.63 0.98 0.00 0.00 173.24 173.66 2qlv s ILE 469 N -3.32 4.73 -0.47 -1.02 1.01 -1.26 -4.97 121.20 115.90 2qlv s ILE 469 Ca 0.10 1.68 -0.26 0.00 0.00 0.00 0.00 60.65 62.17 2qlv s ILE 469 Cb -0.02 -4.23 -0.06 0.00 0.01 0.00 0.00 42.46 38.17 2qlv s ILE 469 CO 0.00 -0.19 2.30 -0.22 0.00 0.00 0.00 174.94 176.83 2qlv s LEU 470 N 3.09 3.40 0.38 2.97 2.96 -1.26 -4.86 118.68 125.36 2qlv s LEU 470 Ca 0.39 1.09 0.20 0.00 -0.22 0.00 0.00 54.13 55.59 2qlv s LEU 470 Cb -0.15 -2.67 1.19 0.00 0.50 0.00 0.00 46.19 45.07 2qlv s LEU 470 CO 0.09 -2.67 1.66 1.55 -1.32 0.00 0.00 176.35 175.66 2qlv h PRO 471 N 18.24 0.25 0.00 0.98 0.13 -1.99 0.29 132.00 149.90 2qlv h PRO 471 Ca -0.27 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2qlv h PRO 471 Cb 1.25 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2qlv h PRO 471 CO 1.14 0.16 0.00 0.25 -0.23 0.00 0.00 178.00 179.32 2qlv n THR 472 N -4.90 0.30 0.98 1.56 -2.24 -1.26 -2.56 114.28 106.15 2qlv n THR 472 Ca 0.33 0.07 0.11 0.00 -2.27 0.00 0.00 64.05 62.29 2qlv n THR 472 Cb 1.10 -0.77 -0.01 0.00 -2.10 0.00 0.00 70.33 68.56 2qlv n THR 472 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2qlv n SER 473 N -1.19 2.00 -4.73 3.42 3.41 0.10 -4.10 113.62 112.53 2qlv n SER 473 Ca 0.11 -1.50 -0.42 0.00 -0.26 0.00 0.00 58.87 56.80 2qlv n SER 473 Cb 0.12 0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 64.53 2qlv n SER 473 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2qlv s LEU 474 N -2.45 4.39 0.16 1.04 1.43 -1.06 -4.88 118.68 117.31 2qlv s LEU 474 Ca 0.18 2.48 -0.29 0.00 -1.03 0.00 0.00 54.13 55.47 2qlv s LEU 474 Cb 0.18 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.77 2qlv s LEU 474 CO 0.57 -0.64 1.55 1.55 0.23 0.00 0.00 176.35 179.61 2qlv h PRO 475 N 5.82 -0.15 -0.40 1.29 0.13 -1.91 -2.09 132.00 134.69 2qlv h PRO 475 Ca -0.44 0.01 0.04 0.00 -0.87 0.00 0.00 66.00 64.74 2qlv h PRO 475 Cb 1.21 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 2qlv h PRO 475 CO 0.81 -0.10 0.15 1.96 -0.23 0.00 0.00 178.00 180.60 2qlv h GLN 476 N -0.16 0.31 -0.08 0.86 4.20 -1.97 0.23 115.11 118.50 2qlv h GLN 476 Ca 0.16 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.87 2qlv h GLN 476 Cb 0.51 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 2qlv h GLN 476 CO -0.80 0.21 -0.03 0.82 -0.67 0.00 0.00 178.83 178.36 2qlv h ILE 477 N 0.32 0.90 -0.47 2.54 2.04 -1.79 0.54 117.51 121.59 2qlv h ILE 477 Ca 0.18 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.98 2qlv h ILE 477 Cb 0.15 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 2qlv h ILE 477 CO -0.17 0.00 0.04 -0.74 0.00 0.00 0.00 178.15 177.28 2qlv h HIS 478 N -0.01 0.79 0.31 1.37 2.76 -1.16 0.60 115.15 119.81 2qlv h HIS 478 Ca 0.04 -0.09 -0.02 0.00 -2.20 0.00 0.00 60.37 58.10 2qlv h HIS 478 Cb 0.07 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 28.81 2qlv h HIS 478 CO -0.14 0.72 -0.15 -0.09 -1.30 0.00 0.00 177.93 176.97 2qlv h ARG 479 N 0.72 -0.40 -0.56 5.26 2.43 0.26 -0.53 114.38 121.55 2qlv h ARG 479 Ca 0.15 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.44 2qlv h ARG 479 Cb 0.38 0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 29.95 2qlv h ARG 479 CO 0.01 -0.24 0.15 0.00 -1.51 0.00 0.00 179.97 178.38 2qlv h ALA 480 N 0.22 0.68 -0.31 2.80 0.00 0.59 -1.75 119.26 121.49 2qlv h ALA 480 Ca -0.04 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2qlv h ALA 480 Cb 0.35 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2qlv h ALA 480 CO 0.07 -0.27 -0.09 -0.91 0.00 0.00 0.00 179.25 178.05 2qlv h ASN 481 N 0.30 0.49 -0.71 0.00 2.35 -0.58 -1.25 115.58 116.17 2qlv h ASN 481 Ca 0.29 -0.12 -0.05 0.00 -0.55 0.00 0.00 56.30 55.87 2qlv h ASN 481 Cb 0.39 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 2qlv h ASN 481 CO -0.34 0.63 0.27 0.24 -1.65 0.00 0.00 177.43 176.58 2qlv h MET 482 N 0.48 1.09 -0.36 0.81 2.86 -0.24 -1.48 114.93 118.09 2qlv h MET 482 Ca 0.09 -0.20 -0.15 0.00 -2.06 0.00 0.00 59.70 57.38 2qlv h MET 482 Cb 0.45 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 2qlv h MET 482 CO 0.02 0.90 -0.37 -0.07 1.06 0.00 0.00 176.91 178.45 2qlv h LEU 483 N 1.06 0.90 -1.63 1.22 3.38 -0.99 -2.77 115.31 116.47 2qlv h LEU 483 Ca 0.24 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 2qlv h LEU 483 Cb 0.23 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2qlv h LEU 483 CO -0.02 1.17 -0.11 0.00 0.09 0.00 0.00 178.44 179.57 2qlv h ALA 484 N 0.88 1.09 0.00 1.53 0.00 -0.81 -0.97 119.26 120.98 2qlv h ALA 484 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qlv h ALA 484 Cb 0.94 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2qlv h ALA 484 CO 0.09 0.13 -0.09 1.04 0.00 0.00 0.00 179.25 180.42 2qlv n GLN 485 N -3.34 0.27 -2.71 0.00 1.13 -0.59 -4.98 117.38 107.16 2qlv n GLN 485 Ca -0.01 0.20 -0.10 0.00 -1.94 0.00 0.00 57.00 55.15 2qlv n GLN 485 Cb 0.30 -1.79 0.05 0.00 0.11 0.00 0.00 30.24 28.91 2qlv n GLN 485 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qlv n GLY 486 N 1.31 -0.36 3.63 1.08 0.00 -0.37 -5.03 105.19 105.46 2qlv n GLY 486 Ca 0.05 0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 2qlv n GLY 486 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qlv s SER 487 N -3.40 6.22 0.26 1.61 0.15 -1.26 -4.99 113.70 112.29 2qlv s SER 487 Ca 0.23 0.24 -0.04 0.00 0.70 0.00 0.00 55.95 57.09 2qlv s SER 487 Cb -0.03 -2.17 0.52 0.00 -1.71 0.00 0.00 66.02 62.63 2qlv s SER 487 CO 0.48 -0.07 1.66 1.55 1.20 0.00 0.00 173.24 178.06 2qlv h PRO 488 N 7.83 0.18 -0.37 5.44 0.13 -1.96 -1.30 132.00 141.96 2qlv h PRO 488 Ca -0.35 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2qlv h PRO 488 Cb 1.17 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 2qlv h PRO 488 CO 0.65 0.12 0.23 0.00 -0.23 0.00 0.00 178.00 178.77 2qlv h ALA 489 N 1.69 0.47 -1.02 -0.56 0.00 -2.01 -3.07 119.26 114.76 2qlv h ALA 489 Ca 0.45 -0.04 0.34 0.00 0.00 0.00 0.00 54.91 55.66 2qlv h ALA 489 Cb 0.83 -0.15 -0.15 0.00 0.00 0.00 0.00 17.79 18.32 2qlv h ALA 489 CO -0.61 -0.05 0.59 0.00 0.00 0.00 0.00 179.25 179.18 2qlv h ALA 490 N 1.11 2.04 0.00 0.00 0.00 -1.60 0.25 119.26 121.06 2qlv h ALA 490 Ca 0.13 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2qlv h ALA 490 Cb -0.02 0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2qlv h ALA 490 CO -0.03 -0.66 0.00 0.66 0.00 0.00 0.00 179.25 179.22 2qlv h SER 491 N 0.28 0.00 0.41 0.00 4.64 -1.51 -3.08 113.55 114.29 2qlv h SER 491 Ca 0.75 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.82 2qlv h SER 491 Cb 1.79 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.83 2qlv h SER 491 CO -0.60 0.00 -1.79 0.29 -0.87 0.00 0.00 176.83 173.85 2qlv n LYS 492 N -2.91 0.64 -2.14 4.77 5.02 0.86 -4.94 118.16 119.46 2qlv n LYS 492 Ca 0.00 0.17 -0.42 0.00 -2.02 0.00 0.00 58.31 56.04 2qlv n LYS 492 Cb 0.26 -1.71 -0.03 0.00 -0.02 0.00 0.00 35.03 33.53 2qlv n LYS 492 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2qlv s ILE 493 N -2.74 3.62 0.14 -0.18 1.01 -1.06 -5.04 121.20 116.95 2qlv s ILE 493 Ca -0.06 0.95 0.07 0.00 0.00 0.00 0.00 60.65 61.61 2qlv s ILE 493 Cb 0.08 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 2qlv s ILE 493 CO 0.83 -0.03 -0.05 -0.44 0.00 0.00 0.00 174.94 175.25 2qlv s SER 494 N 2.30 4.59 0.76 3.58 0.01 -1.26 -5.02 113.70 118.67 2qlv s SER 494 Ca 0.67 -0.39 -0.13 0.00 1.31 0.00 0.00 55.95 57.41 2qlv s SER 494 Cb -0.32 -0.93 0.06 0.00 0.21 0.00 0.00 66.02 65.04 2qlv s SER 494 CO 0.27 0.13 1.15 -2.16 0.41 0.00 0.00 173.24 173.04 2qlv s PRO 495 N -2.58 2.06 0.03 12.44 0.04 -1.26 -5.00 135.00 140.73 2qlv s PRO 495 Ca 0.25 1.51 -0.11 0.00 0.04 0.00 0.00 61.00 62.68 2qlv s PRO 495 Cb -0.10 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.53 2qlv s PRO 495 CO 0.16 -1.84 0.38 -1.17 0.04 0.00 0.00 177.00 174.57 2qlv s LEU 496 N -5.57 4.41 0.25 -3.56 0.20 -1.26 -5.10 118.68 108.05 2qlv s LEU 496 Ca 0.68 0.83 0.07 0.00 0.69 0.00 0.00 54.13 56.40 2qlv s LEU 496 Cb -0.23 -2.73 -0.05 0.00 -0.43 0.00 0.00 46.19 42.74 2qlv s LEU 496 CO 0.49 0.26 -0.10 -0.69 -0.29 0.00 0.00 176.35 176.02 2qlv s VAL 497 N -1.23 1.73 0.00 1.68 1.01 -1.26 -5.31 120.40 117.02 2qlv s VAL 497 Ca 0.28 -2.17 0.00 0.00 0.00 0.00 0.00 61.98 60.08 2qlv s VAL 497 Cb -0.15 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.93 2qlv s VAL 497 CO 0.15 -0.41 0.00 0.41 0.00 0.00 0.00 175.10 175.25 2qlv n THR 498 N -0.52 0.00 -0.36 3.92 -1.04 -1.26 -5.33 114.28 109.69 2qlv n THR 498 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 2qlv n THR 498 Cb 0.62 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.13 2qlv n THR 498 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2qlv n THR 503 N 0.00 0.00 -3.40 12.58 -1.04 -1.26 -5.37 114.28 115.79 2qlv n THR 503 Ca 0.00 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.57 2qlv n THR 503 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 2qlv n THR 503 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2qlv s ARG 504 N 4.12 3.68 0.15 -2.82 0.52 -1.26 -5.05 118.95 118.30 2qlv s ARG 504 Ca 0.00 -2.83 -0.30 0.00 -0.52 0.00 0.00 55.73 52.08 2qlv s ARG 504 Cb 0.00 -4.36 -0.08 0.00 0.52 0.00 0.00 34.95 31.04 2qlv s ARG 504 CO 0.00 -1.26 1.26 -1.58 0.02 0.00 0.00 175.30 173.74 2qlv s TRP 505 N -0.53 3.35 0.10 -0.53 0.51 -1.26 -5.03 118.94 115.54 2qlv s TRP 505 Ca 0.23 1.27 0.07 0.00 -2.12 0.00 0.00 56.10 55.55 2qlv s TRP 505 Cb -0.11 -3.52 -0.03 0.00 -0.81 0.00 0.00 33.47 29.00 2qlv s TRP 505 CO -0.08 -1.60 -0.17 -1.58 -0.51 0.00 0.00 176.95 173.00 2qlv s HIS 506 N 0.39 1.49 0.08 -1.98 2.46 -1.26 -5.11 115.29 111.36 2qlv s HIS 506 Ca 0.57 -0.46 -0.31 0.00 0.47 0.00 0.00 55.06 55.33 2qlv s HIS 506 Cb -0.34 -0.81 -0.06 0.00 -0.13 0.00 0.00 32.58 31.24 2qlv s HIS 506 CO 0.35 0.14 1.21 0.12 -2.47 0.00 0.00 174.74 174.09 2qlv s PHE 507 N -1.41 3.43 0.00 3.88 5.36 -1.26 -4.86 117.98 123.12 2qlv s PHE 507 Ca 0.04 1.30 0.00 0.00 -0.96 0.00 0.00 56.93 57.31 2qlv s PHE 507 Cb -0.09 -3.43 0.00 0.00 -0.34 0.00 0.00 43.02 39.16 2qlv s PHE 507 CO 0.03 -1.32 0.00 0.41 -1.46 0.00 0.00 175.22 172.88 2qlv n GLY 508 N 3.09 3.04 2.84 13.12 0.00 -1.26 -4.65 105.19 121.37 2qlv n GLY 508 Ca 0.08 0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 2qlv n GLY 508 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qlv s ILE 509 N 0.00 0.01 0.15 -0.61 1.01 -0.55 -4.94 121.20 116.27 2qlv s ILE 509 Ca 0.00 0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.74 2qlv s ILE 509 Cb 0.00 -0.07 -0.04 0.00 0.01 0.00 0.00 42.46 42.36 2qlv s ILE 509 CO 0.00 0.05 0.29 -0.13 0.00 0.00 0.00 174.94 175.15 2qlv s ARG 510 N 0.44 3.46 -0.30 2.79 0.52 -1.26 0.39 118.95 124.99 2qlv s ARG 510 Ca -0.04 -0.52 -0.11 0.00 -0.52 0.00 0.00 55.73 54.54 2qlv s ARG 510 Cb -0.06 -2.95 0.15 0.00 0.52 0.00 0.00 34.95 32.61 2qlv s ARG 510 CO -0.01 0.51 0.80 0.45 0.02 0.00 0.00 175.30 177.07 2qlv s SER 511 N -3.10 -0.90 -0.40 0.23 0.15 -0.72 -4.98 113.70 103.97 2qlv s SER 511 Ca 0.35 1.15 -0.01 0.00 0.70 0.00 0.00 55.95 58.14 2qlv s SER 511 Cb -0.11 1.99 0.26 0.00 -1.71 0.00 0.00 66.02 66.45 2qlv s SER 511 CO 0.28 -0.17 2.06 -2.11 1.20 0.00 0.00 173.24 174.50 2qlv n ARG 512 N 5.25 2.02 -4.66 5.44 1.85 -1.26 -2.86 116.66 122.45 2qlv n ARG 512 Ca -0.10 -1.98 -0.29 0.00 -1.00 0.00 0.00 57.85 54.48 2qlv n ARG 512 Cb 0.51 -1.78 -0.09 0.00 -1.05 0.00 0.00 32.46 30.04 2qlv n ARG 512 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 2qlv s SER 513 N -0.25 3.81 0.23 2.89 1.04 -1.26 -4.90 113.70 115.26 2qlv s SER 513 Ca 0.40 -1.50 -0.32 0.00 0.48 0.00 0.00 55.95 55.01 2qlv s SER 513 Cb 0.31 0.04 -0.12 0.00 0.10 0.00 0.00 66.02 66.34 2qlv s SER 513 CO -0.02 -0.65 1.65 -1.22 0.98 0.00 0.00 173.24 173.98 2qlv n TYR 514 N -1.06 2.69 0.12 5.02 4.02 -1.26 -4.87 117.16 121.81 2qlv n TYR 514 Ca -0.10 0.16 0.01 0.00 -0.01 0.00 0.00 57.90 57.95 2qlv n TYR 514 Cb 0.67 -2.62 0.06 0.00 -0.02 0.00 0.00 39.34 37.43 2qlv n TYR 514 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2qlv n PRO 515 N 3.23 0.04 -0.05 -0.72 -0.04 -1.26 -2.02 135.00 134.18 2qlv n PRO 515 Ca 0.14 0.23 -0.20 0.00 -0.04 0.00 0.00 63.50 63.63 2qlv n PRO 515 Cb 0.34 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.17 2qlv n PRO 515 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2qlv n LEU 516 N -1.25 2.73 0.19 1.53 4.77 -1.26 -2.95 117.00 120.77 2qlv n LEU 516 Ca 0.01 0.06 0.14 0.00 -0.03 0.00 0.00 56.01 56.19 2qlv n LEU 516 Cb 0.02 -1.00 0.49 0.00 -2.33 0.00 0.00 43.42 40.60 2qlv n LEU 516 CO 0.02 0.88 0.90 0.44 -1.33 0.00 0.00 177.39 178.30 2qlv h ASP 517 N 0.04 0.00 0.00 -1.43 3.32 -1.79 0.14 116.42 116.71 2qlv h ASP 517 Ca -0.49 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.50 2qlv h ASP 517 Cb 1.98 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.52 2qlv h ASP 517 CO 0.01 0.00 -0.43 0.58 -1.72 0.00 0.00 179.24 177.68 2qlv h VAL 518 N 0.00 0.91 -0.44 -1.35 2.07 -1.64 -3.04 116.25 112.76 2qlv h VAL 518 Ca 0.00 -1.82 0.05 0.00 0.82 0.00 0.00 66.70 65.75 2qlv h VAL 518 Cb 0.59 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 2qlv h VAL 518 CO 0.00 0.31 0.30 -0.03 0.02 0.00 0.00 177.57 178.17 2qlv h MET 519 N -1.00 0.38 0.01 1.57 -1.53 -1.47 -1.86 114.93 111.02 2qlv h MET 519 Ca -0.10 -0.02 -0.00 0.00 -3.44 0.00 0.00 59.70 56.14 2qlv h MET 519 Cb 0.81 -0.08 0.00 0.00 -0.55 0.00 0.00 31.60 31.77 2qlv h MET 519 CO -0.06 0.25 -0.00 0.78 0.14 0.00 0.00 176.91 178.01 2qlv h GLY 520 N 0.39 -0.01 2.00 1.39 0.00 -1.09 -2.73 103.07 103.01 2qlv h GLY 520 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 2qlv h GLY 520 CO -0.05 -0.00 -0.03 -2.09 0.00 0.00 0.00 176.54 174.37 2qlv h GLU 521 N -0.61 0.00 0.07 4.80 4.81 -1.35 0.20 114.58 122.50 2qlv h GLU 521 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2qlv h GLU 521 Cb 0.60 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.98 2qlv h GLU 521 CO 0.00 0.03 -0.03 0.82 -0.73 0.00 0.00 179.01 179.10 2qlv h ILE 522 N 0.00 1.10 -0.66 2.32 2.04 -1.30 0.36 117.51 121.37 2qlv h ILE 522 Ca -0.00 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 2qlv h ILE 522 Cb 0.06 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 2qlv h ILE 522 CO 0.00 0.15 0.35 1.88 0.00 0.00 0.00 178.15 180.53 2qlv h TYR 523 N -0.36 0.93 0.29 1.37 -1.99 -1.01 -0.46 116.97 115.74 2qlv h TYR 523 Ca -0.01 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.68 2qlv h TYR 523 Cb 0.32 -0.29 -0.01 0.00 2.00 0.00 0.00 36.73 38.74 2qlv h TYR 523 CO 0.01 0.67 -0.28 0.82 -0.00 0.00 0.00 178.16 179.38 2qlv h ILE 524 N 0.91 0.00 -1.02 -2.88 2.04 -0.50 -0.89 117.51 115.18 2qlv h ILE 524 Ca 0.23 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.34 2qlv h ILE 524 Cb 0.07 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.05 2qlv h ILE 524 CO -0.03 0.00 0.64 0.00 0.00 0.00 0.00 178.15 178.76 2qlv h ALA 525 N -1.29 2.07 -0.68 1.87 0.00 -0.86 -2.83 119.26 117.54 2qlv h ALA 525 Ca -0.04 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2qlv h ALA 525 Cb 0.49 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2qlv h ALA 525 CO -0.03 -0.48 0.00 1.28 0.00 0.00 0.00 179.25 180.02 2qlv n LEU 526 N -4.68 0.09 -0.24 0.00 4.77 -0.19 -2.58 117.00 114.16 2qlv n LEU 526 Ca 0.25 0.82 0.17 0.00 -0.03 0.00 0.00 56.01 57.23 2qlv n LEU 526 Cb 0.80 -0.39 0.33 0.00 -2.33 0.00 0.00 43.42 41.83 2qlv n LEU 526 CO 0.24 -0.39 0.68 2.29 -1.33 0.00 0.00 177.39 178.88 2qlv n LYS 527 N -1.66 -0.05 0.20 3.23 2.85 -0.39 0.26 118.16 122.60 2qlv n LYS 527 Ca 0.00 1.05 0.07 0.00 -1.05 0.00 0.00 58.31 58.37 2qlv n LYS 527 Cb 0.00 -1.77 0.41 0.00 -0.65 0.00 0.00 35.03 33.01 2qlv n LYS 527 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 2qlv h ASN 528 N 0.00 0.00 0.22 -5.58 2.35 -1.54 -2.81 115.58 108.22 2qlv h ASN 528 Ca 0.54 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.29 2qlv h ASN 528 Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.67 2qlv h ASN 528 CO -0.62 0.33 -0.04 0.18 -1.65 0.00 0.00 177.43 175.62 2qlv n LEU 529 N -3.61 0.38 0.00 1.61 4.77 0.73 -4.90 117.00 115.98 2qlv n LEU 529 Ca -0.01 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2qlv n LEU 529 Cb 0.45 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2qlv n LEU 529 CO 0.36 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 2qlv n GLY 530 N 1.17 0.38 3.77 -0.72 0.00 -1.06 -5.01 105.19 103.71 2qlv n GLY 530 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2qlv n GLY 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qlv s ALA 531 N -2.12 1.78 0.04 4.61 0.00 -1.23 -4.79 121.76 120.04 2qlv s ALA 531 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 51.96 51.61 2qlv s ALA 531 Cb 0.00 -3.09 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 2qlv s ALA 531 CO 0.00 -2.19 0.01 -1.83 0.00 0.00 0.00 175.76 171.75 2qlv s GLU 532 N -5.14 0.49 0.25 0.00 -1.05 -0.85 -4.40 118.70 107.99 2qlv s GLU 532 Ca 0.63 -0.86 0.02 0.00 -0.15 0.00 0.00 54.97 54.61 2qlv s GLU 532 Cb -0.16 0.18 -0.05 0.00 -0.44 0.00 0.00 34.13 33.66 2qlv s GLU 532 CO 0.55 -0.10 0.07 1.67 0.95 0.00 0.00 175.26 178.40 2qlv s TRP 533 N -2.62 1.52 0.46 4.83 -2.14 -1.26 -0.96 118.94 118.77 2qlv s TRP 533 Ca -0.05 -1.12 -0.04 0.00 2.66 0.00 0.00 56.10 57.55 2qlv s TRP 533 Cb -0.01 -0.89 -0.03 0.00 -3.10 0.00 0.00 33.47 29.43 2qlv s TRP 533 CO -0.05 -0.27 0.75 0.00 -2.66 0.00 0.00 176.95 174.72 2qlv s ALA 534 N -3.68 3.46 -0.32 2.67 0.00 -0.99 -4.99 121.76 117.90 2qlv s ALA 534 Ca 0.35 -0.61 -0.29 0.00 0.00 0.00 0.00 51.96 51.41 2qlv s ALA 534 Cb 0.07 -2.49 0.00 0.00 0.00 0.00 0.00 23.12 20.71 2qlv s ALA 534 CO 0.12 -0.33 1.36 0.21 0.00 0.00 0.00 175.76 177.12 2qlv s LYS 535 N -4.68 3.81 0.00 0.00 2.20 -1.26 -4.86 119.74 114.95 2qlv s LYS 535 Ca 0.47 1.20 0.00 0.00 -0.36 0.00 0.00 55.97 57.28 2qlv s LYS 535 Cb -0.10 -3.93 0.00 0.00 -1.51 0.00 0.00 37.83 32.29 2qlv s LYS 535 CO 0.43 -1.26 0.00 -2.30 -0.36 0.00 0.00 175.35 171.86 2qlv n PRO 536 N 7.55 2.28 -1.35 4.03 -0.02 -1.26 -5.16 135.00 141.08 2qlv n PRO 536 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 2qlv n PRO 536 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.95 2qlv n PRO 536 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2qlv n SER 537 N 0.00 -1.80 0.00 2.55 2.88 -1.26 -5.25 113.62 110.73 2qlv n SER 537 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2qlv n SER 537 Cb 0.00 -0.90 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 2qlv n SER 537 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2qlv n LEU 541 N -0.70 0.00 -0.29 2.46 7.94 -1.26 -5.20 117.00 119.94 2qlv n LEU 541 Ca 0.00 0.00 0.08 0.00 -1.11 0.00 0.00 56.01 54.98 2qlv n LEU 541 Cb 0.25 0.00 0.15 0.00 0.53 0.00 0.00 43.42 44.35 2qlv n LEU 541 CO 0.00 0.00 0.47 0.79 -1.11 0.00 0.00 177.39 177.54 2qlv n TRP 542 N -1.65 0.00 -4.61 1.96 7.02 -1.26 -4.99 117.44 113.91 2qlv n TRP 542 Ca 0.00 -1.05 -0.33 0.00 -1.02 0.00 0.00 57.50 55.10 2qlv n TRP 542 Cb 0.00 -0.17 -0.16 0.00 -2.42 0.00 0.00 31.31 28.56 2qlv n TRP 542 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 2qlv s THR 543 N -2.69 2.32 -0.18 -0.99 2.01 -1.26 -2.17 115.64 112.68 2qlv s THR 543 Ca 0.32 -0.89 -0.05 0.00 0.31 0.00 0.00 61.69 61.38 2qlv s THR 543 Cb 0.29 -1.95 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 2qlv s THR 543 CO -0.01 0.53 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.82 2qlv s ILE 544 N 0.82 4.01 -0.61 1.82 1.01 0.30 -4.96 121.20 123.60 2qlv s ILE 544 Ca -0.06 -0.30 -0.06 0.00 0.00 0.00 0.00 60.65 60.23 2qlv s ILE 544 Cb -0.15 -2.79 0.16 0.00 0.01 0.00 0.00 42.46 39.69 2qlv s ILE 544 CO -0.01 0.46 0.45 -0.75 0.00 0.00 0.00 174.94 175.09 2qlv s LYS 545 N 0.63 2.66 0.35 2.79 2.47 -1.26 -0.22 119.74 127.16 2qlv s LYS 545 Ca -0.01 -2.31 0.07 0.00 -1.56 0.00 0.00 55.97 52.16 2qlv s LYS 545 Cb -0.14 -3.87 -0.01 0.00 -1.46 0.00 0.00 37.83 32.35 2qlv s LYS 545 CO 0.02 -1.19 0.47 -0.48 0.16 0.00 0.00 175.35 174.33 2qlv s LEU 546 N 0.35 3.88 -0.03 5.43 0.05 -0.64 -2.36 118.68 125.36 2qlv s LEU 546 Ca 0.14 -0.26 0.01 0.00 0.05 0.00 0.00 54.13 54.07 2qlv s LEU 546 Cb -0.20 -2.68 0.02 0.00 -2.05 0.00 0.00 46.19 41.28 2qlv s LEU 546 CO -0.04 -0.48 -0.02 -0.60 -0.55 0.00 0.00 176.35 174.66 2qlv s ARG 547 N -4.19 0.50 0.10 1.48 3.52 -0.14 -2.12 118.95 118.11 2qlv s ARG 547 Ca 0.46 -0.02 0.03 0.00 -0.13 0.00 0.00 55.73 56.07 2qlv s ARG 547 Cb -0.09 -0.59 -0.04 0.00 -1.56 0.00 0.00 34.95 32.67 2qlv s ARG 547 CO 0.31 -0.08 -0.08 -0.46 -0.81 0.00 0.00 175.30 174.18 2qlv s TRP 548 N 0.82 0.97 0.20 5.12 -0.11 0.12 -2.01 118.94 124.05 2qlv s TRP 548 Ca -0.09 -0.78 -0.07 0.00 1.22 0.00 0.00 56.10 56.38 2qlv s TRP 548 Cb -0.12 -0.54 0.03 0.00 -1.50 0.00 0.00 33.47 31.33 2qlv s TRP 548 CO -0.01 -0.07 0.39 0.36 -4.62 0.00 0.00 176.95 173.00 2qlv n LYS 549 N 0.25 0.56 0.00 5.86 -0.00 -1.26 0.27 118.16 123.83 2qlv n LYS 549 Ca -0.14 -1.23 0.00 0.00 -0.00 0.00 0.00 58.31 56.94 2qlv n LYS 549 Cb 0.59 1.45 0.00 0.00 -0.00 0.00 0.00 35.03 37.08 2qlv n LYS 549 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2qlv n ASP 564 N -1.38 0.00 -4.65 -5.58 8.00 -1.26 -4.97 116.55 106.71 2qlv n ASP 564 Ca -0.04 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.12 2qlv n ASP 564 Cb 0.31 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.32 2qlv n ASP 564 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2qlv s LEU 565 N 0.00 3.88 -0.19 0.64 1.43 0.27 -4.92 118.68 119.79 2qlv s LEU 565 Ca 0.00 0.11 -0.15 0.00 -1.03 0.00 0.00 54.13 53.05 2qlv s LEU 565 Cb 0.00 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 2qlv s LEU 565 CO 0.00 0.18 0.36 -0.32 0.23 0.00 0.00 176.35 176.80 2qlv s MET 566 N 0.36 4.20 0.36 1.70 1.75 0.75 -0.32 119.30 128.10 2qlv s MET 566 Ca 0.04 0.16 -0.11 0.00 -1.25 0.00 0.00 55.69 54.53 2qlv s MET 566 Cb -0.12 -3.50 -0.07 0.00 2.84 0.00 0.00 34.83 33.98 2qlv s MET 566 CO -0.00 0.06 0.73 0.15 -0.65 0.00 0.00 175.02 175.30 2qlv s LYS 567 N 1.00 3.82 0.12 4.11 1.02 0.15 0.13 119.74 130.10 2qlv s LYS 567 Ca 0.18 0.46 -0.24 0.00 0.02 0.00 0.00 55.97 56.39 2qlv s LYS 567 Cb -0.14 -2.44 0.07 0.00 -0.52 0.00 0.00 37.83 34.80 2qlv s LYS 567 CO 0.07 0.06 0.61 1.41 -0.92 0.00 0.00 175.35 176.57 2qlv s MET 568 N -3.55 1.24 -0.04 1.68 1.75 -0.90 -2.61 119.30 116.87 2qlv s MET 568 Ca 0.51 -0.35 -0.01 0.00 -1.25 0.00 0.00 55.69 54.59 2qlv s MET 568 Cb -0.10 0.57 0.03 0.00 2.84 0.00 0.00 34.83 38.17 2qlv s MET 568 CO 0.27 -0.52 0.06 0.08 -0.65 0.00 0.00 175.02 174.27 2qlv s VAL 569 N -3.31 -0.08 -0.08 10.11 1.01 -0.27 -1.63 120.40 126.15 2qlv s VAL 569 Ca -0.01 0.26 -0.00 0.00 0.00 0.00 0.00 61.98 62.23 2qlv s VAL 569 Cb -0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.21 2qlv s VAL 569 CO -0.09 0.11 -0.05 -0.63 0.00 0.00 0.00 175.10 174.44 2qlv s ILE 570 N 1.38 3.83 0.02 2.22 1.01 0.70 -1.97 121.20 128.39 2qlv s ILE 570 Ca -0.06 -0.42 0.04 0.00 0.00 0.00 0.00 60.65 60.21 2qlv s ILE 570 Cb -0.12 -2.59 -0.02 0.00 0.01 0.00 0.00 42.46 39.74 2qlv s ILE 570 CO -0.04 0.59 -0.13 -1.10 0.00 0.00 0.00 174.94 174.26 2qlv s GLN 571 N -0.66 0.93 -0.02 2.79 -1.52 -0.86 -0.54 119.66 119.78 2qlv s GLN 571 Ca 0.10 -0.59 0.01 0.00 -1.95 0.00 0.00 55.36 52.93 2qlv s GLN 571 Cb -0.12 -0.91 -0.03 0.00 -0.22 0.00 0.00 33.01 31.73 2qlv s GLN 571 CO 0.02 0.24 -0.02 -1.17 -0.25 0.00 0.00 175.29 174.11 2qlv s LEU 572 N -0.74 3.43 0.03 2.90 2.96 -0.92 -0.85 118.68 125.49 2qlv s LEU 572 Ca 0.03 -0.01 0.03 0.00 -0.22 0.00 0.00 54.13 53.95 2qlv s LEU 572 Cb -0.06 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.68 2qlv s LEU 572 CO 0.00 0.30 -0.09 -0.36 -1.32 0.00 0.00 176.35 174.88 2qlv s PHE 573 N -1.02 0.80 0.38 5.38 0.08 0.34 -4.97 117.98 118.96 2qlv s PHE 573 Ca 0.18 -0.36 -0.03 0.00 0.12 0.00 0.00 56.93 56.84 2qlv s PHE 573 Cb -0.11 -0.48 -0.04 0.00 -0.57 0.00 0.00 43.02 41.82 2qlv s PHE 573 CO 0.08 -0.03 0.63 -1.14 -0.10 0.00 0.00 175.22 174.67 2qlv s GLN 574 N -1.11 3.55 4.43 0.44 0.74 -1.26 -1.07 119.66 125.38 2qlv s GLN 574 Ca -0.03 -0.06 0.00 0.00 0.05 0.00 0.00 55.36 55.31 2qlv s GLN 574 Cb -0.07 -2.56 0.00 0.00 1.10 0.00 0.00 33.01 31.48 2qlv s GLN 574 CO 0.01 0.04 0.00 -1.71 -0.55 0.00 0.00 175.29 173.08 2qlv n ASN 578 N -1.74 0.00 -3.79 6.67 4.05 -1.26 -4.89 115.26 114.30 2qlv n ASN 578 Ca -0.02 0.00 -0.13 0.00 0.45 0.00 0.00 54.58 54.88 2qlv n ASN 578 Cb 0.55 0.00 -0.13 0.00 1.23 0.00 0.00 39.78 41.43 2qlv n ASN 578 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 2qlv s ASN 579 N -4.00 -0.12 0.12 1.20 3.84 -1.26 -4.75 114.94 109.96 2qlv s ASN 579 Ca 0.00 0.27 0.04 0.00 0.21 0.00 0.00 52.86 53.38 2qlv s ASN 579 Cb 0.00 0.23 -0.04 0.00 -0.55 0.00 0.00 41.25 40.89 2qlv s ASN 579 CO 0.00 -0.09 -0.09 -0.31 -2.79 0.00 0.00 177.10 173.82 2qlv s TYR 580 N 0.54 1.11 -0.02 0.43 1.51 -1.13 -5.01 117.35 114.77 2qlv s TYR 580 Ca -0.04 -0.75 0.03 0.00 -1.01 0.00 0.00 57.07 55.30 2qlv s TYR 580 Cb -0.05 -0.59 -0.00 0.00 -0.11 0.00 0.00 41.96 41.20 2qlv s TYR 580 CO -0.02 0.00 -0.11 -1.17 -1.11 0.00 0.00 175.55 173.13 2qlv s LEU 581 N -2.88 1.89 -0.23 -1.29 0.20 -0.23 -1.76 118.68 114.38 2qlv s LEU 581 Ca 0.12 -0.22 -0.06 0.00 0.69 0.00 0.00 54.13 54.65 2qlv s LEU 581 Cb 0.01 -0.64 -0.02 0.00 -0.43 0.00 0.00 46.19 45.11 2qlv s LEU 581 CO -0.01 0.11 0.03 -0.69 -0.29 0.00 0.00 176.35 175.50 2qlv s VAL 582 N -0.00 4.03 -0.15 1.68 1.01 0.16 -0.51 120.40 126.62 2qlv s VAL 582 Ca -0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 61.98 61.62 2qlv s VAL 582 Cb -0.08 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2qlv s VAL 582 CO 0.00 0.38 0.14 -0.62 0.00 0.00 0.00 175.10 175.00 2qlv s ASP 583 N 1.46 6.32 -0.16 3.32 3.68 -0.03 -1.48 116.67 129.77 2qlv s ASP 583 Ca 0.05 0.38 -0.01 0.00 2.13 0.00 0.00 52.55 55.11 2qlv s ASP 583 Cb -0.15 -2.08 -0.00 0.00 -1.45 0.00 0.00 42.92 39.24 2qlv s ASP 583 CO 0.02 0.31 -0.13 -0.36 0.13 0.00 0.00 175.17 175.13 2qlv s PHE 584 N -0.42 2.82 -0.04 -5.34 0.40 -1.26 -2.03 117.98 112.11 2qlv s PHE 584 Ca 0.12 -1.00 0.02 0.00 -0.60 0.00 0.00 56.93 55.47 2qlv s PHE 584 Cb -0.12 -1.92 0.01 0.00 0.51 0.00 0.00 43.02 41.50 2qlv s PHE 584 CO 0.02 -0.47 -0.08 0.21 0.70 0.00 0.00 175.22 175.60 2qlv s LYS 585 N 0.90 1.00 0.52 0.44 2.20 -0.83 -5.00 119.74 118.97 2qlv s LYS 585 Ca -0.03 -0.25 -0.20 0.00 -0.36 0.00 0.00 55.97 55.13 2qlv s LYS 585 Cb -0.15 -0.93 -0.07 0.00 -1.51 0.00 0.00 37.83 35.17 2qlv s LYS 585 CO -0.01 0.04 1.10 0.12 -0.36 0.00 0.00 175.35 176.25 2qlv s PHE 586 N 0.47 2.78 0.00 4.03 5.36 -1.26 -1.11 117.98 128.24 2qlv s PHE 586 Ca -0.07 1.55 0.00 0.00 -0.96 0.00 0.00 56.93 57.45 2qlv s PHE 586 Cb -0.11 -3.23 0.00 0.00 -0.34 0.00 0.00 43.02 39.34 2qlv s PHE 586 CO 0.01 -1.35 0.42 -3.47 -1.46 0.00 0.00 175.22 169.37 2qlv n ASP 587 N -1.15 0.00 0.00 6.13 4.64 -1.07 -4.82 116.55 120.27 2qlv n ASP 587 Ca 0.11 -1.12 0.00 0.00 -1.38 0.00 0.00 54.79 52.40 2qlv n ASP 587 Cb 0.51 -0.02 0.00 0.00 -1.04 0.00 0.00 41.12 40.57 2qlv n ASP 587 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2qlv n GLY 588 N 0.00 0.53 3.40 0.27 0.00 -1.25 -4.77 105.19 103.37 2qlv n GLY 588 Ca 0.00 -2.28 -0.20 0.00 0.00 0.00 0.00 46.02 43.54 2qlv n GLY 588 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qlv s TRP 589 N -0.52 1.80 0.00 1.61 0.52 -1.26 0.34 118.94 121.44 2qlv s TRP 589 Ca 0.00 -0.97 0.00 0.00 0.02 0.00 0.00 56.10 55.15 2qlv s TRP 589 Cb 0.00 -1.12 0.00 0.00 -1.15 0.00 0.00 33.47 31.20 2qlv s TRP 589 CO 0.00 -0.05 0.00 -1.91 0.02 0.00 0.00 176.95 175.01 2qlv n GLU 590 N -0.58 0.00 0.00 4.98 4.07 0.56 -4.87 120.64 124.80 2qlv n GLU 590 Ca -0.03 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.07 2qlv n GLU 590 Cb 0.66 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.04 2qlv n GLU 590 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 2qlv n SER 591 N -0.77 0.00 -4.37 4.31 3.41 -1.26 -0.57 113.62 114.37 2qlv n SER 591 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 2qlv n SER 591 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 2qlv n SER 591 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2qlv n GLU 606 N -0.64 0.27 0.20 4.33 4.07 -1.26 -4.95 120.64 122.66 2qlv n GLU 606 Ca 0.00 0.10 0.10 0.00 -0.06 0.00 0.00 57.16 57.30 2qlv n GLU 606 Cb 0.00 -1.27 0.15 0.00 -0.06 0.00 0.00 31.44 30.25 2qlv n GLU 606 CO 0.00 0.00 0.00 1.98 -0.06 0.00 0.00 177.13 179.05 2qlv h MET 607 N 0.41 0.00 0.21 5.31 1.85 -2.02 -3.21 114.93 117.49 2qlv h MET 607 Ca -0.40 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 58.68 2qlv h MET 607 Cb 1.42 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.46 2qlv h MET 607 CO 0.48 0.11 -0.11 0.77 -0.40 0.00 0.00 176.91 177.76 2qlv h SER 608 N 0.00 -0.25 -0.63 1.39 0.02 -2.02 -2.42 113.55 109.63 2qlv h SER 608 Ca -0.00 0.01 0.11 0.00 -0.84 0.00 0.00 61.79 61.07 2qlv h SER 608 Cb 1.07 0.07 -0.08 0.00 0.14 0.00 0.00 62.40 63.60 2qlv h SER 608 CO 0.01 -0.18 0.21 0.74 -1.14 0.00 0.00 176.83 176.48 2qlv h THR 609 N -0.29 0.71 0.00 -2.27 2.02 -2.01 -0.25 112.91 110.83 2qlv h THR 609 Ca -0.03 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 2qlv h THR 609 Cb 0.23 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 2qlv h THR 609 CO 0.04 0.07 -0.09 -0.26 0.37 0.00 0.00 175.52 175.66 2qlv h PHE 610 N 0.37 0.00 -2.27 3.16 -1.00 -1.56 -3.02 116.94 112.63 2qlv h PHE 610 Ca 0.33 0.00 -0.69 0.00 2.81 0.00 0.00 57.97 60.42 2qlv h PHE 610 Cb 0.45 0.00 -0.35 0.00 3.61 0.00 0.00 35.95 39.66 2qlv h PHE 610 CO -0.19 0.09 0.10 0.43 -1.61 0.00 0.00 178.31 177.13 2qlv n SER 611 N -3.50 5.77 -0.10 2.17 7.64 -0.11 -4.73 113.62 120.76 2qlv n SER 611 Ca -0.02 -3.69 -0.24 0.00 1.01 0.00 0.00 58.87 55.94 2qlv n SER 611 Cb 0.22 -0.83 -0.12 0.00 -1.01 0.00 0.00 64.21 62.48 2qlv n SER 611 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qlv n ALA 612 N -0.17 0.98 -0.01 -0.43 0.00 -1.14 -4.11 120.51 115.63 2qlv n ALA 612 Ca 0.38 -0.73 -0.12 0.00 0.00 0.00 0.00 53.44 52.97 2qlv n ALA 612 Cb 0.33 -0.35 -0.10 0.00 0.00 0.00 0.00 19.45 19.34 2qlv n ALA 612 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2qlv h TYR 613 N -0.71 -0.07 -0.63 0.00 0.99 -1.87 -2.65 116.97 112.02 2qlv h TYR 613 Ca -0.48 -0.00 0.08 0.00 2.00 0.00 0.00 58.73 60.32 2qlv h TYR 613 Cb 1.58 0.02 -0.10 0.00 1.00 0.00 0.00 36.73 39.23 2qlv h TYR 613 CO 0.04 0.54 -0.52 -1.35 -0.00 0.00 0.00 178.16 176.86 2qlv h PRO 614 N -0.82 -0.22 -0.22 4.88 0.11 -1.90 0.53 132.00 134.36 2qlv h PRO 614 Ca -0.01 0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.16 2qlv h PRO 614 Cb 0.64 0.05 -0.07 0.00 0.11 0.00 0.00 31.00 31.73 2qlv h PRO 614 CO 0.01 -0.15 -0.53 0.35 -0.21 0.00 0.00 178.00 177.47 2qlv h PHE 615 N -0.23 -1.58 -0.58 0.65 3.57 -1.71 -0.72 116.94 116.33 2qlv h PHE 615 Ca 0.14 0.07 0.11 0.00 3.53 0.00 0.00 57.97 61.82 2qlv h PHE 615 Cb 0.54 0.72 -0.03 0.00 2.79 0.00 0.00 35.95 39.97 2qlv h PHE 615 CO -0.80 -0.52 0.40 -0.07 -2.23 0.00 0.00 178.31 175.08 2qlv h LEU 616 N -0.51 0.28 0.48 0.59 3.38 -0.75 -1.42 115.31 117.36 2qlv h LEU 616 Ca 0.05 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2qlv h LEU 616 Cb 0.65 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2qlv h LEU 616 CO -0.48 0.17 -0.23 -0.74 0.09 0.00 0.00 178.44 177.24 2qlv h HIS 617 N 0.31 -0.60 -0.54 1.13 2.76 0.14 -1.18 115.15 117.18 2qlv h HIS 617 Ca 0.27 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.49 2qlv h HIS 617 Cb 0.66 0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.79 2qlv h HIS 617 CO -0.00 -0.28 0.36 -0.07 -1.30 0.00 0.00 177.93 176.64 2qlv h LEU 618 N -0.90 0.44 -0.93 0.26 3.38 -0.90 0.10 115.31 116.75 2qlv h LEU 618 Ca -0.07 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 2qlv h LEU 618 Cb 0.59 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2qlv h LEU 618 CO 0.11 0.29 -0.42 0.71 0.09 0.00 0.00 178.44 179.22 2qlv h THR 619 N 0.50 1.01 -0.02 0.22 1.35 -1.20 -1.68 112.91 113.09 2qlv h THR 619 Ca 0.23 -1.61 -0.01 0.00 -0.55 0.00 0.00 66.41 64.47 2qlv h THR 619 Cb 0.28 1.95 -0.00 0.00 -1.73 0.00 0.00 68.15 68.65 2qlv h THR 619 CO -0.06 0.41 -0.01 0.74 -0.25 0.00 0.00 175.52 176.35 2qlv h THR 620 N 0.00 1.36 -0.69 6.82 2.02 0.45 -2.47 112.91 120.40 2qlv h THR 620 Ca -0.00 -1.07 0.07 0.00 0.77 0.00 0.00 66.41 66.17 2qlv h THR 620 Cb 0.92 2.04 -0.06 0.00 -1.74 0.00 0.00 68.15 69.31 2qlv h THR 620 CO 0.05 0.28 0.37 0.11 0.37 0.00 0.00 175.52 176.71 2qlv h LYS 621 N -0.40 0.65 0.00 6.66 1.57 -1.12 -1.42 116.57 122.52 2qlv h LYS 621 Ca 0.00 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2qlv h LYS 621 Cb 0.47 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 2qlv h LYS 621 CO 0.00 0.43 -0.10 1.25 -0.57 0.00 0.00 179.45 180.46 2qlv h LEU 622 N 0.67 0.00 0.12 2.94 5.85 -1.23 -1.82 115.31 121.85 2qlv h LEU 622 Ca 0.32 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.85 2qlv h LEU 622 Cb 0.23 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.28 2qlv h LEU 622 CO -0.20 0.10 -0.84 0.40 -0.34 0.00 0.00 178.44 177.55 2qlv h ILE 623 N 0.00 1.45 -0.44 4.05 2.04 -0.80 -3.10 117.51 120.71 2qlv h ILE 623 Ca -0.00 -2.49 -0.01 0.00 1.00 0.00 0.00 64.86 63.35 2qlv h ILE 623 Cb 0.30 3.12 -0.02 0.00 -0.74 0.00 0.00 36.82 39.49 2qlv h ILE 623 CO 0.01 0.70 0.22 0.24 0.00 0.00 0.00 178.15 179.32 2qlv h MET 624 N -0.43 0.61 -0.51 2.37 2.86 -1.24 -0.17 114.93 118.41 2qlv h MET 624 Ca -0.16 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.37 2qlv h MET 624 Cb 1.59 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 33.11 2qlv h MET 624 CO 0.11 0.47 0.14 1.49 1.06 0.00 0.00 176.91 180.19 2qlv h GLU 625 N 0.61 0.81 0.42 1.72 4.57 -1.42 -2.24 114.58 119.05 2qlv h GLU 625 Ca 0.16 -0.18 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 2qlv h GLU 625 Cb 0.06 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 2qlv h GLU 625 CO -0.02 0.76 -0.20 -0.07 -1.18 0.00 0.00 179.01 178.30 2qlv h LEU 626 N 0.71 -0.48 -0.64 1.64 3.38 -1.25 -2.71 115.31 115.96 2qlv h LEU 626 Ca 0.16 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.17 2qlv h LEU 626 Cb 0.30 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.09 2qlv h LEU 626 CO -0.00 -0.28 -0.52 0.00 0.09 0.00 0.00 178.44 177.73 2qlv h ALA 627 N -0.10 -0.62 -0.42 1.53 0.00 -0.89 -0.94 119.26 117.82 2qlv h ALA 627 Ca -0.06 0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.98 2qlv h ALA 627 Cb 0.48 1.22 -0.07 0.00 0.00 0.00 0.00 17.79 19.43 2qlv h ALA 627 CO 0.10 -0.93 0.02 -0.39 0.00 0.00 0.00 179.25 178.04 2qlv h VAL 628 N -0.18 0.70 -0.55 0.00 -1.51 -1.43 -1.98 116.25 111.30 2qlv h VAL 628 Ca 0.11 -0.04 0.11 0.00 -1.23 0.00 0.00 66.70 65.64 2qlv h VAL 628 Cb 0.45 0.56 -0.09 0.00 -2.13 0.00 0.00 31.29 30.08 2qlv h VAL 628 CO -0.70 0.02 -0.02 0.78 -1.23 0.00 0.00 177.57 176.42 2qlv h ASN 629 N 0.13 -0.29 -0.00 4.19 2.35 -0.88 -3.52 115.58 117.55 2qlv h ASN 629 Ca 0.21 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 2qlv h ASN 629 Cb 0.29 0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.91 2qlv h ASN 629 CO -0.33 -0.11 0.00 -1.54 -1.65 0.00 0.00 177.43 173.80