#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qlf s LYS 512 N 0.00 1.84 0.05 -3.48 1.02 -1.26 -5.16 119.74 112.75 2qlf s LYS 512 Ca 0.00 -2.06 0.07 0.00 0.02 0.00 0.00 55.97 54.00 2qlf s LYS 512 Cb 0.00 -1.16 -0.03 0.00 -0.52 0.00 0.00 37.83 36.13 2qlf s LYS 512 CO 0.00 -0.20 -0.19 0.42 -0.92 0.00 0.00 175.35 174.46 2qlf s ILE 513 N -3.06 1.54 0.24 2.17 1.09 -1.26 -5.12 121.20 116.80 2qlf s ILE 513 Ca 0.31 -1.21 -0.30 0.00 -1.10 0.00 0.00 60.65 58.35 2qlf s ILE 513 Cb 0.08 -1.36 -0.10 0.00 -1.06 0.00 0.00 42.46 40.02 2qlf s ILE 513 CO 0.15 0.11 1.40 -2.84 -0.10 0.00 0.00 174.94 173.66 2qlf s PRO 514 N -1.30 4.30 0.63 2.79 0.02 -1.26 -4.88 135.00 135.30 2qlf s PRO 514 Ca 0.06 2.23 0.41 0.00 0.02 0.00 0.00 61.00 63.71 2qlf s PRO 514 Cb -0.09 -3.13 2.13 0.00 0.02 0.00 0.00 34.50 33.43 2qlf s PRO 514 CO 0.02 -0.37 2.27 -0.39 -0.33 0.00 0.00 177.00 178.20 2qlf h VAL 515 N 3.59 0.06 -0.00 3.83 -1.51 -2.05 -1.98 116.25 118.19 2qlf h VAL 515 Ca -0.46 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 2qlf h VAL 515 Cb 1.22 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.51 2qlf h VAL 515 CO 0.77 0.01 -0.70 -0.62 -1.23 0.00 0.00 177.57 175.80 2qlf n GLU 516 N -3.16 0.04 -1.05 5.19 -0.58 -1.26 -4.99 120.64 114.84 2qlf n GLU 516 Ca -0.02 -0.03 -0.31 0.00 -0.42 0.00 0.00 57.16 56.38 2qlf n GLU 516 Cb 0.13 -1.50 0.12 0.00 -0.57 0.00 0.00 31.44 29.62 2qlf n GLU 516 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qlf s ALA 517 N -2.98 1.94 -1.08 0.62 0.00 -0.75 -4.06 121.76 115.46 2qlf s ALA 517 Ca 0.10 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.49 2qlf s ALA 517 Cb 0.17 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.94 2qlf s ALA 517 CO 0.76 -2.16 0.00 -0.25 0.00 0.00 0.00 175.76 174.12 2qlf n ASP 518 N -3.75 -4.05 -4.77 0.00 8.00 -0.31 -4.98 116.55 106.68 2qlf n ASP 518 Ca 0.10 0.16 -0.30 0.00 0.71 0.00 0.00 54.79 55.47 2qlf n ASP 518 Cb 0.52 -2.82 -0.06 0.00 -0.02 0.00 0.00 41.12 38.74 2qlf n ASP 518 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2qlf s PHE 519 N -2.46 3.17 -0.08 1.24 0.40 -1.26 -4.78 117.98 114.21 2qlf s PHE 519 Ca 0.00 0.06 -0.03 0.00 -0.60 0.00 0.00 56.93 56.36 2qlf s PHE 519 Cb 0.00 -1.60 0.04 0.00 0.51 0.00 0.00 43.02 41.97 2qlf s PHE 519 CO 0.00 0.52 0.16 -1.17 0.70 0.00 0.00 175.22 175.43 2qlf s LEU 520 N -2.48 0.24 -0.24 -0.37 0.20 -1.26 -0.24 118.68 114.53 2qlf s LEU 520 Ca 0.29 0.34 -0.02 0.00 0.69 0.00 0.00 54.13 55.43 2qlf s LEU 520 Cb -0.12 0.34 0.02 0.00 -0.43 0.00 0.00 46.19 46.00 2qlf s LEU 520 CO 0.22 -0.20 -0.07 -0.36 -0.29 0.00 0.00 176.35 175.65 2qlf s PHE 521 N 1.83 3.02 -0.67 5.38 0.40 0.41 -4.97 117.98 123.38 2qlf s PHE 521 Ca -0.02 -1.45 -0.14 0.00 -0.60 0.00 0.00 56.93 54.72 2qlf s PHE 521 Cb -0.12 -2.06 0.17 0.00 0.51 0.00 0.00 43.02 41.53 2qlf s PHE 521 CO -0.06 -0.70 0.61 0.00 0.70 0.00 0.00 175.22 175.77 2qlf s ALA 522 N 1.35 3.83 0.15 5.36 0.00 -1.26 -0.02 121.76 131.17 2qlf s ALA 522 Ca 0.02 -2.94 -0.20 0.00 0.00 0.00 0.00 51.96 48.84 2qlf s ALA 522 Cb -0.16 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.56 2qlf s ALA 522 CO -0.05 -2.14 0.67 0.71 0.00 0.00 0.00 175.76 174.96 2qlf s TYR 523 N 0.84 3.76 0.35 0.00 1.51 0.60 -4.96 117.35 119.45 2qlf s TYR 523 Ca 0.11 1.38 0.28 0.00 -1.01 0.00 0.00 57.07 57.83 2qlf s TYR 523 Cb -0.20 -2.59 1.40 0.00 -0.11 0.00 0.00 41.96 40.46 2qlf s TYR 523 CO -0.03 0.47 2.03 0.66 -1.11 0.00 0.00 175.55 177.57 2qlf h SER 524 N 4.00 0.00 -5.19 2.29 4.64 -1.93 -0.30 113.55 117.06 2qlf h SER 524 Ca -0.48 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.78 2qlf h SER 524 Cb 1.20 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.19 2qlf h SER 524 CO 0.65 0.12 -0.14 0.28 -0.87 0.00 0.00 176.83 176.88 2qlf s THR 525 N -4.03 0.03 0.67 2.95 -1.32 -1.26 -3.56 115.64 109.12 2qlf s THR 525 Ca -0.02 -1.17 -0.11 0.00 -1.21 0.00 0.00 61.69 59.18 2qlf s THR 525 Cb 0.12 -1.84 -0.01 0.00 -1.51 0.00 0.00 72.50 69.26 2qlf s THR 525 CO 0.58 -0.15 1.06 0.68 -2.21 0.00 0.00 174.62 174.57 2qlf s VAL 526 N -3.95 4.14 0.28 5.08 -7.23 -1.14 -4.28 120.40 113.31 2qlf s VAL 526 Ca 0.16 0.70 -0.30 0.00 -1.81 0.00 0.00 61.98 60.73 2qlf s VAL 526 Cb 0.01 -3.60 -0.13 0.00 0.56 0.00 0.00 36.38 33.21 2qlf s VAL 526 CO 0.01 -0.91 1.27 -2.65 -0.31 0.00 0.00 175.10 172.52 2qlf n PRO 527 N -2.96 1.88 -0.26 4.82 -0.02 -1.26 -2.51 135.00 134.69 2qlf n PRO 527 Ca 0.07 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 2qlf n PRO 527 Cb 0.55 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 2qlf n PRO 527 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qlf n GLY 528 N 1.46 2.24 3.84 -1.23 0.00 -1.26 -5.03 105.19 105.21 2qlf n GLY 528 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 2qlf n GLY 528 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qlf s TYR 529 N -3.18 3.01 0.71 1.61 1.51 -1.04 -5.12 117.35 114.84 2qlf s TYR 529 Ca 0.00 -0.20 -0.11 0.00 -1.01 0.00 0.00 57.07 55.74 2qlf s TYR 529 Cb 0.00 -1.59 0.02 0.00 -0.11 0.00 0.00 41.96 40.27 2qlf s TYR 529 CO 0.00 0.36 1.08 0.71 -1.11 0.00 0.00 175.55 176.58 2qlf s TYR 530 N -2.22 3.24 -0.06 2.71 2.02 -1.26 -4.86 117.35 116.91 2qlf s TYR 530 Ca 0.37 1.18 0.05 0.00 -0.37 0.00 0.00 57.07 58.30 2qlf s TYR 530 Cb -0.07 -2.98 -0.01 0.00 -0.40 0.00 0.00 41.96 38.50 2qlf s TYR 530 CO 0.26 -1.23 -0.24 0.45 -1.57 0.00 0.00 175.55 173.22 2qlf s SER 531 N -4.13 2.96 0.13 2.29 0.15 -1.26 -4.88 113.70 108.96 2qlf s SER 531 Ca 0.58 -0.50 -0.14 0.00 0.70 0.00 0.00 55.95 56.59 2qlf s SER 531 Cb -0.12 -0.93 -0.07 0.00 -1.71 0.00 0.00 66.02 63.19 2qlf s SER 531 CO 0.53 0.22 0.53 0.26 1.20 0.00 0.00 173.24 175.97 2qlf s TRP 532 N -0.03 3.61 -0.08 3.44 0.52 -1.26 -5.08 118.94 120.06 2qlf s TRP 532 Ca -0.07 1.02 -0.05 0.00 0.02 0.00 0.00 56.10 57.02 2qlf s TRP 532 Cb -0.14 -2.34 0.03 0.00 -1.15 0.00 0.00 33.47 29.87 2qlf s TRP 532 CO 0.05 0.45 0.20 0.50 0.02 0.00 0.00 176.95 178.16 2qlf s ARG 533 N -1.93 0.19 -0.35 4.98 3.52 -1.26 -2.59 118.95 121.51 2qlf s ARG 533 Ca 0.37 0.37 -0.15 0.00 -0.13 0.00 0.00 55.73 56.19 2qlf s ARG 533 Cb -0.15 -0.03 -0.01 0.00 -1.56 0.00 0.00 34.95 33.21 2qlf s ARG 533 CO 0.19 -0.10 0.34 0.45 -0.81 0.00 0.00 175.30 175.37 2qlf s SER 534 N 0.69 6.15 0.50 -2.12 0.15 -0.59 -4.83 113.70 113.66 2qlf s SER 534 Ca -0.05 -0.33 0.33 0.00 0.70 0.00 0.00 55.95 56.61 2qlf s SER 534 Cb -0.06 -2.19 1.45 0.00 -1.71 0.00 0.00 66.02 63.51 2qlf s SER 534 CO -0.04 -0.34 1.76 -0.65 1.20 0.00 0.00 173.24 175.17 2qlf h PRO 535 N 8.49 0.10 0.07 5.44 0.11 -2.01 1.34 132.00 145.54 2qlf h PRO 535 Ca -0.30 -0.01 -0.31 0.00 0.11 0.00 0.00 66.00 65.49 2qlf h PRO 535 Cb 1.14 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 2qlf h PRO 535 CO 0.69 0.06 -1.72 0.41 -0.21 0.00 0.00 178.00 177.24 2qlf n GLY 536 N -1.69 -0.67 0.00 -0.55 0.00 -1.26 -4.58 105.19 96.44 2qlf n GLY 536 Ca 0.28 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.29 2qlf n GLY 536 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qlf n ARG 537 N -3.89 0.40 0.00 1.61 1.74 -0.72 -5.10 116.66 110.70 2qlf n ARG 537 Ca -0.33 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.68 2qlf n ARG 537 Cb 0.89 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 2qlf n ARG 537 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qlf n GLY 538 N 1.41 1.34 3.69 -0.13 0.00 0.45 -4.88 105.19 107.08 2qlf n GLY 538 Ca 0.01 -1.98 -0.39 0.00 0.00 0.00 0.00 46.02 43.66 2qlf n GLY 538 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qlf n SER 539 N -0.06 2.13 0.14 1.61 3.41 -1.26 -1.54 113.62 118.05 2qlf n SER 539 Ca 0.00 0.99 -0.14 0.00 -0.26 0.00 0.00 58.87 59.47 2qlf n SER 539 Cb 0.00 -1.49 -0.07 0.00 -0.26 0.00 0.00 64.21 62.39 2qlf n SER 539 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 2qlf h TRP 540 N 1.48 -0.39 -0.44 7.33 6.55 -1.87 -1.52 115.95 127.09 2qlf h TRP 540 Ca -0.49 -0.00 0.09 0.00 0.95 0.00 0.00 58.89 59.44 2qlf h TRP 540 Cb 1.32 0.14 -0.09 0.00 -0.86 0.00 0.00 29.16 29.67 2qlf h TRP 540 CO 0.44 -0.23 -0.18 0.35 -1.05 0.00 0.00 178.44 177.78 2qlf h PHE 541 N -0.36 -0.43 -0.57 0.49 3.57 -1.88 0.21 116.94 117.97 2qlf h PHE 541 Ca -0.01 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 2qlf h PHE 541 Cb 0.31 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 2qlf h PHE 541 CO -0.11 -0.26 0.22 0.28 -2.23 0.00 0.00 178.31 176.21 2qlf h VAL 542 N -0.08 1.23 0.26 1.41 2.07 -1.92 0.33 116.25 119.55 2qlf h VAL 542 Ca 0.21 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 67.02 2qlf h VAL 542 Cb 0.41 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 2qlf h VAL 542 CO -0.50 0.28 -0.40 1.56 0.02 0.00 0.00 177.57 178.53 2qlf h GLN 543 N 0.79 -0.70 0.05 1.57 4.20 -0.32 -0.92 115.11 119.77 2qlf h GLN 543 Ca 0.19 0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.97 2qlf h GLN 543 Cb 0.21 0.16 -0.05 0.00 0.30 0.00 0.00 27.48 28.10 2qlf h GLN 543 CO -0.01 -0.47 -0.41 0.00 -0.67 0.00 0.00 178.83 177.27 2qlf h ALA 544 N -0.28 -0.67 -0.21 3.87 0.00 -0.29 -1.63 119.26 120.05 2qlf h ALA 544 Ca -0.01 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.90 2qlf h ALA 544 Cb 0.69 0.70 -0.07 0.00 0.00 0.00 0.00 17.79 19.11 2qlf h ALA 544 CO -0.15 -0.95 -0.44 1.25 0.00 0.00 0.00 179.25 178.96 2qlf h LEU 545 N -0.59 -1.40 -0.14 0.00 5.85 -0.12 -0.74 115.31 118.17 2qlf h LEU 545 Ca 0.04 0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.99 2qlf h LEU 545 Cb 0.65 0.58 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 2qlf h LEU 545 CO -0.28 -0.42 -0.13 0.00 -0.34 0.00 0.00 178.44 177.27 2qlf h SER 547 N -0.15 -1.75 0.14 0.00 0.87 -0.79 0.29 113.55 112.16 2qlf h SER 547 Ca 0.09 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 2qlf h SER 547 Cb 0.28 0.70 -0.01 0.00 -0.44 0.00 0.00 62.40 62.93 2qlf h SER 547 CO -0.23 -0.44 -0.13 0.40 -0.53 0.00 0.00 176.83 175.89 2qlf h ILE 548 N -0.49 0.70 -0.91 2.23 1.08 -0.83 -2.52 117.51 116.77 2qlf h ILE 548 Ca 0.06 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.70 2qlf h ILE 548 Cb 0.64 0.70 -0.07 0.00 -3.07 0.00 0.00 36.82 35.02 2qlf h ILE 548 CO -0.51 0.00 0.59 -0.07 -0.69 0.00 0.00 178.15 177.47 2qlf h LEU 549 N -0.30 0.58 -0.90 1.44 3.38 0.11 0.17 115.31 119.80 2qlf h LEU 549 Ca 0.00 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2qlf h LEU 549 Cb 0.28 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2qlf h LEU 549 CO -0.03 0.26 0.27 -0.33 0.09 0.00 0.00 178.44 178.70 2qlf h GLU 550 N 0.60 1.08 0.21 1.13 5.08 -0.02 0.37 114.58 123.02 2qlf h GLU 550 Ca 0.47 -0.20 -0.35 0.00 -1.00 0.00 0.00 59.36 58.29 2qlf h GLU 550 Cb 0.91 -0.17 0.02 0.00 0.50 0.00 0.00 28.75 30.00 2qlf h GLU 550 CO -0.22 0.89 -1.65 0.93 -1.00 0.00 0.00 179.01 177.95 2qlf h GLU 551 N 1.05 0.43 0.00 2.33 5.08 -0.87 -3.42 114.58 119.19 2qlf h GLU 551 Ca 0.24 -0.74 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2qlf h GLU 551 Cb 0.22 0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2qlf h GLU 551 CO -0.02 1.35 0.00 0.72 -1.00 0.00 0.00 179.01 180.06 2qlf n HIS 552 N -3.62 0.00 -0.40 4.33 8.25 0.43 -4.81 115.22 119.40 2qlf n HIS 552 Ca -0.22 -0.11 0.38 0.00 -0.26 0.00 0.00 57.72 57.51 2qlf n HIS 552 Cb 1.08 -0.01 0.74 0.00 1.12 0.00 0.00 29.99 32.92 2qlf n HIS 552 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2qlf h GLY 553 N 0.00 0.17 -2.21 -1.41 0.00 -0.36 -0.93 103.07 98.34 2qlf h GLY 553 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2qlf h GLY 553 CO 0.00 -0.03 0.00 0.28 0.00 0.00 0.00 176.54 176.79 2qlf n LYS 554 N -4.20 3.35 0.00 4.80 5.02 -1.26 -4.32 118.16 121.55 2qlf n LYS 554 Ca 0.30 -2.68 0.00 0.00 -2.02 0.00 0.00 58.31 53.90 2qlf n LYS 554 Cb 1.37 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 34.63 2qlf n LYS 554 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2qlf n ASP 555 N 0.46 0.00 -4.38 4.39 5.68 -0.41 -4.71 116.55 117.58 2qlf n ASP 555 Ca 0.21 -0.87 -0.28 0.00 -0.50 0.00 0.00 54.79 53.35 2qlf n ASP 555 Cb 0.79 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.65 2qlf n ASP 555 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2qlf s LEU 556 N 0.00 2.35 0.52 -2.12 1.43 -0.88 -5.12 118.68 114.86 2qlf s LEU 556 Ca 0.00 -0.77 -0.19 0.00 -1.03 0.00 0.00 54.13 52.14 2qlf s LEU 556 Cb 0.00 -1.14 -0.07 0.00 0.03 0.00 0.00 46.19 45.01 2qlf s LEU 556 CO 0.00 0.14 1.07 -0.70 0.23 0.00 0.00 176.35 177.09 2qlf s GLU 557 N -2.19 3.59 0.29 1.70 -6.30 -1.26 -4.71 118.70 109.82 2qlf s GLU 557 Ca 0.14 1.43 0.03 0.00 -2.50 0.00 0.00 54.97 54.07 2qlf s GLU 557 Cb -0.09 -2.06 0.71 0.00 0.00 0.00 0.00 34.13 32.69 2qlf s GLU 557 CO 0.07 -0.62 1.70 0.97 0.02 0.00 0.00 175.26 177.40 2qlf h ILE 558 N 1.31 0.51 -0.25 -3.70 6.09 -1.54 0.12 117.51 120.04 2qlf h ILE 558 Ca -0.49 -0.15 -0.09 0.00 -1.37 0.00 0.00 64.86 62.76 2qlf h ILE 558 Cb 1.23 0.04 -0.01 0.00 0.47 0.00 0.00 36.82 38.55 2qlf h ILE 558 CO 0.58 0.08 -0.22 0.24 -3.07 0.00 0.00 178.15 175.76 2qlf h MET 559 N 0.43 0.45 -0.33 2.19 2.86 -1.92 -0.02 114.93 118.59 2qlf h MET 559 Ca 0.55 -0.15 -0.06 0.00 -2.06 0.00 0.00 59.70 57.97 2qlf h MET 559 Cb 1.02 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.63 2qlf h MET 559 CO -0.51 0.64 -0.05 1.96 1.06 0.00 0.00 176.91 180.02 2qlf h GLN 560 N 0.40 0.61 0.88 1.72 4.20 -1.20 0.71 115.11 122.43 2qlf h GLN 560 Ca 0.07 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.52 2qlf h GLN 560 Cb 0.61 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.34 2qlf h GLN 560 CO 0.04 0.77 -0.49 0.82 -0.67 0.00 0.00 178.83 179.29 2qlf h ILE 561 N 0.40 0.00 -0.33 2.54 2.04 -0.77 -1.45 117.51 119.94 2qlf h ILE 561 Ca 0.09 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.96 2qlf h ILE 561 Cb 0.52 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 2qlf h ILE 561 CO 0.03 0.00 0.22 -0.07 0.00 0.00 0.00 178.15 178.32 2qlf h LEU 562 N -1.27 0.34 -0.49 1.44 3.38 -1.00 -0.77 115.31 116.93 2qlf h LEU 562 Ca -0.12 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 2qlf h LEU 562 Cb 1.00 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 2qlf h LEU 562 CO 0.15 0.24 0.12 0.74 0.09 0.00 0.00 178.44 179.78 2qlf h THR 563 N 0.40 1.24 0.00 0.22 2.02 -0.67 0.17 112.91 116.28 2qlf h THR 563 Ca 0.13 -0.85 -0.05 0.00 0.77 0.00 0.00 66.41 66.41 2qlf h THR 563 Cb 0.02 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2qlf h THR 563 CO -0.03 0.30 -0.23 0.03 0.37 0.00 0.00 175.52 175.97 2qlf h ARG 564 N 0.68 0.00 -0.19 6.66 3.08 -0.16 -2.08 114.38 122.37 2qlf h ARG 564 Ca 0.15 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.01 2qlf h ARG 564 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2qlf h ARG 564 CO 0.00 0.23 -0.66 0.28 -1.07 0.00 0.00 179.97 178.75 2qlf h VAL 565 N 0.00 1.30 0.48 2.04 2.07 -0.25 -1.36 116.25 120.52 2qlf h VAL 565 Ca -0.00 -1.89 -0.02 0.00 0.82 0.00 0.00 66.70 65.61 2qlf h VAL 565 Cb 0.52 1.84 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 2qlf h VAL 565 CO 0.03 0.60 -0.27 0.78 0.02 0.00 0.00 177.57 178.73 2qlf h ASN 566 N 0.53 -0.66 -0.93 0.57 2.35 -0.35 0.10 115.58 117.18 2qlf h ASN 566 Ca -0.02 0.03 0.10 0.00 -0.55 0.00 0.00 56.30 55.86 2qlf h ASN 566 Cb 1.26 0.19 -0.08 0.00 0.05 0.00 0.00 38.32 39.74 2qlf h ASN 566 CO 0.13 -0.44 0.57 -0.78 -1.65 0.00 0.00 177.43 175.27 2qlf h ASP 567 N -0.70 0.86 0.01 5.81 3.58 -1.40 -0.17 116.42 124.41 2qlf h ASP 567 Ca -0.06 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 2qlf h ASP 567 Cb 0.56 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.48 2qlf h ASP 567 CO 0.08 0.49 -0.01 -0.09 -2.88 0.00 0.00 179.24 176.83 2qlf h ARG 568 N 0.96 -0.02 -0.31 0.28 1.12 -0.97 0.16 114.38 115.60 2qlf h ARG 568 Ca 0.44 0.00 0.04 0.00 -1.11 0.00 0.00 59.98 59.35 2qlf h ARG 568 Cb 0.36 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.29 2qlf h ARG 568 CO -0.23 0.20 0.10 0.28 -3.11 0.00 0.00 179.97 177.20 2qlf h VAL 569 N -0.24 0.90 -0.75 0.20 2.07 -0.55 0.16 116.25 118.03 2qlf h VAL 569 Ca -0.00 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 2qlf h VAL 569 Cb 0.23 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 2qlf h VAL 569 CO 0.00 0.04 0.30 0.00 0.02 0.00 0.00 177.57 177.93 2qlf h ALA 570 N 1.21 0.98 0.00 1.67 0.00 -0.88 -3.00 119.26 119.24 2qlf h ALA 570 Ca 0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2qlf h ALA 570 Cb 0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2qlf h ALA 570 CO -0.15 0.61 -1.59 0.54 0.00 0.00 0.00 179.25 178.65 2qlf n ARG 571 N -4.32 0.64 0.00 0.00 1.74 0.56 -4.46 116.66 110.82 2qlf n ARG 571 Ca 0.06 -0.02 0.11 0.00 -0.77 0.00 0.00 57.85 57.24 2qlf n ARG 571 Cb 0.18 -1.67 0.06 0.00 -1.02 0.00 0.00 32.46 30.02 2qlf n ARG 571 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2qlf n HIS 572 N -2.53 0.00 -4.43 -1.55 -0.00 0.53 -4.98 115.22 102.26 2qlf n HIS 572 Ca -0.05 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.92 2qlf n HIS 572 Cb 0.64 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 30.37 2qlf n HIS 572 CO 0.00 0.00 0.00 -0.06 0.46 0.00 0.00 176.34 176.74 2qlf s PHE 573 N -2.11 1.28 -0.22 1.57 0.40 -1.13 -5.04 117.98 112.73 2qlf s PHE 573 Ca 0.24 -0.33 -0.08 0.00 -0.60 0.00 0.00 56.93 56.15 2qlf s PHE 573 Cb 0.19 -0.77 0.09 0.00 0.51 0.00 0.00 43.02 43.04 2qlf s PHE 573 CO 0.38 0.03 0.48 -2.00 0.70 0.00 0.00 175.22 174.81 2qlf s GLU 574 N -0.99 0.40 0.39 0.44 2.12 -1.26 -4.70 118.70 115.10 2qlf s GLU 574 Ca 0.03 1.08 -0.27 0.00 0.36 0.00 0.00 54.97 56.17 2qlf s GLU 574 Cb -0.07 0.36 -0.09 0.00 0.26 0.00 0.00 34.13 34.58 2qlf s GLU 574 CO 0.01 -0.22 1.36 -1.54 -0.54 0.00 0.00 175.26 174.33 2qlf s SER 575 N 2.40 6.33 -0.10 -1.70 1.04 -0.87 -4.86 113.70 115.93 2qlf s SER 575 Ca -0.04 2.78 0.01 0.00 0.48 0.00 0.00 55.95 59.18 2qlf s SER 575 Cb -0.11 -2.65 -0.02 0.00 0.10 0.00 0.00 66.02 63.35 2qlf s SER 575 CO -0.14 -0.85 -0.15 -1.10 0.98 0.00 0.00 173.24 171.97 2qlf s GLN 576 N -2.17 3.09 -0.27 4.02 1.11 -1.26 -0.84 119.66 123.35 2qlf s GLN 576 Ca 0.55 -0.72 -0.25 0.00 0.01 0.00 0.00 55.36 54.96 2qlf s GLN 576 Cb -0.41 -2.52 0.08 0.00 -1.01 0.00 0.00 33.01 29.16 2qlf s GLN 576 CO 0.54 0.32 0.80 0.45 0.01 0.00 0.00 175.29 177.41 2qlf s SER 577 N 0.05 -0.68 0.21 5.90 0.15 -1.26 -4.98 113.70 113.10 2qlf s SER 577 Ca -0.06 1.30 -0.09 0.00 0.70 0.00 0.00 55.95 57.80 2qlf s SER 577 Cb -0.15 1.31 0.25 0.00 -1.71 0.00 0.00 66.02 65.72 2qlf s SER 577 CO 0.05 -0.22 1.82 0.44 1.20 0.00 0.00 173.24 176.52 2qlf h ASP 578 N 4.86 0.60 -2.70 5.45 5.19 -2.00 -3.39 116.42 124.44 2qlf h ASP 578 Ca -0.29 0.03 -0.57 0.00 -0.62 0.00 0.00 57.03 55.58 2qlf h ASP 578 Cb 1.17 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.56 2qlf h ASP 578 CO 0.07 0.39 1.17 -0.62 -3.12 0.00 0.00 179.24 177.13 2qlf s ASP 579 N -5.63 6.29 0.16 6.45 -1.08 -1.26 -4.87 116.67 116.72 2qlf s ASP 579 Ca -0.13 1.65 0.15 0.00 -0.52 0.00 0.00 52.55 53.70 2qlf s ASP 579 Cb 0.16 -2.53 0.71 0.00 -1.46 0.00 0.00 42.92 39.80 2qlf s ASP 579 CO 0.76 -1.33 1.45 -0.81 0.52 0.00 0.00 175.17 175.76 2qlf n PRO 580 N 7.79 0.09 0.13 4.34 -0.04 -1.26 -1.79 135.00 144.25 2qlf n PRO 580 Ca 0.20 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 64.15 2qlf n PRO 580 Cb 0.45 -1.74 0.10 0.00 -0.04 0.00 0.00 33.50 32.28 2qlf n PRO 580 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2qlf h HIS 581 N 0.00 0.00 -0.61 0.54 2.76 -1.92 -3.16 115.15 112.76 2qlf h HIS 581 Ca 0.00 0.00 -0.42 0.00 -2.20 0.00 0.00 60.37 57.75 2qlf h HIS 581 Cb 0.11 0.00 -0.27 0.00 1.55 0.00 0.00 27.41 28.80 2qlf h HIS 581 CO 0.00 0.63 -0.25 1.19 -1.30 0.00 0.00 177.93 178.19 2qlf n PHE 582 N -3.46 2.11 -4.65 5.26 3.72 -0.74 -5.01 117.46 114.69 2qlf n PHE 582 Ca 0.00 -2.12 -0.33 0.00 -0.05 0.00 0.00 57.45 54.95 2qlf n PHE 582 Cb 0.70 -0.59 -0.13 0.00 -0.94 0.00 0.00 39.48 38.53 2qlf n PHE 582 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 2qlf s HIS 583 N -3.50 2.89 -1.49 1.38 2.46 -1.18 -4.10 115.29 111.74 2qlf s HIS 583 Ca 0.51 -0.26 -0.06 0.00 0.47 0.00 0.00 55.06 55.71 2qlf s HIS 583 Cb 0.42 -1.80 0.02 0.00 -0.13 0.00 0.00 32.58 31.10 2qlf s HIS 583 CO 0.01 0.08 0.67 0.39 -2.47 0.00 0.00 174.74 173.42 2qlf n GLU 584 N 2.91 -5.04 -3.24 2.88 1.02 -0.02 -4.98 120.64 114.17 2qlf n GLU 584 Ca -0.18 0.81 -0.29 0.00 -0.02 0.00 0.00 57.16 57.49 2qlf n GLU 584 Cb 0.53 -5.68 -0.03 0.00 -0.02 0.00 0.00 31.44 26.24 2qlf n GLU 584 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2qlf s LYS 585 N -5.87 3.65 0.47 3.49 -0.14 -1.26 -4.80 119.74 115.29 2qlf s LYS 585 Ca 0.37 0.08 0.06 0.00 -1.36 0.00 0.00 55.97 55.12 2qlf s LYS 585 Cb -0.17 -2.60 -0.02 0.00 -1.68 0.00 0.00 37.83 33.36 2qlf s LYS 585 CO 0.46 0.16 0.22 0.15 -0.76 0.00 0.00 175.35 175.58 2qlf s LYS 586 N -3.63 2.24 -0.02 1.68 -0.14 -1.26 -2.06 119.74 116.55 2qlf s LYS 586 Ca 0.45 -1.99 -0.09 0.00 -1.36 0.00 0.00 55.97 52.98 2qlf s LYS 586 Cb -0.11 -1.95 0.01 0.00 -1.68 0.00 0.00 37.83 34.10 2qlf s LYS 586 CO 0.30 -0.32 0.19 -1.14 -0.76 0.00 0.00 175.35 173.63 2qlf s GLN 587 N -4.02 0.48 -0.05 1.68 0.74 -1.26 -5.03 119.66 112.20 2qlf s GLN 587 Ca 0.33 -0.22 -0.02 0.00 0.05 0.00 0.00 55.36 55.50 2qlf s GLN 587 Cb 0.01 0.21 0.03 0.00 1.10 0.00 0.00 33.01 34.37 2qlf s GLN 587 CO 0.19 -0.12 0.08 -1.50 -0.55 0.00 0.00 175.29 173.40 2qlf s ILE 588 N -1.09 -0.13 1.09 -2.34 1.10 -1.26 -3.43 121.20 115.13 2qlf s ILE 588 Ca -0.12 0.35 -0.18 0.00 -0.51 0.00 0.00 60.65 60.19 2qlf s ILE 588 Cb -0.06 -0.18 0.28 0.00 0.15 0.00 0.00 42.46 42.65 2qlf s ILE 588 CO 0.02 0.14 0.83 -2.65 -2.11 0.00 0.00 174.94 171.17 2qlf n PRO 589 N 4.97 -3.40 -3.59 3.50 -0.02 -1.23 -2.87 135.00 132.36 2qlf n PRO 589 Ca -0.11 -1.34 -0.13 0.00 -2.02 0.00 0.00 63.50 59.90 2qlf n PRO 589 Cb 0.50 -1.43 -0.12 0.00 -0.02 0.00 0.00 33.50 32.44 2qlf n PRO 589 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qlf s VAL 591 N 2.46 4.87 -0.26 0.00 1.01 -1.26 -0.29 120.40 126.92 2qlf s VAL 591 Ca 0.03 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.98 2qlf s VAL 591 Cb -0.13 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 33.02 2qlf s VAL 591 CO -0.11 0.38 -0.01 -0.69 0.00 0.00 0.00 175.10 174.67 2qlf s VAL 592 N 1.01 3.28 -0.14 2.92 1.01 0.97 -4.98 120.40 124.48 2qlf s VAL 592 Ca 0.05 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 2qlf s VAL 592 Cb -0.14 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 2qlf s VAL 592 CO 0.03 0.16 -0.09 -0.55 0.00 0.00 0.00 175.10 174.66 2qlf s SER 593 N 1.39 4.36 -0.00 3.32 0.15 -1.26 -0.45 113.70 121.21 2qlf s SER 593 Ca 0.01 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.44 2qlf s SER 593 Cb -0.17 -1.65 0.01 0.00 -1.71 0.00 0.00 66.02 62.50 2qlf s SER 593 CO -0.02 0.18 0.91 0.23 1.20 0.00 0.00 173.24 175.74 2qlf n MET 594 N 3.45 2.42 -1.94 5.44 2.81 0.67 -5.01 117.12 124.96 2qlf n MET 594 Ca -0.18 -1.34 -0.37 0.00 -1.81 0.00 0.00 57.70 54.00 2qlf n MET 594 Cb 0.53 -0.92 0.04 0.00 -0.71 0.00 0.00 33.22 32.16 2qlf n MET 594 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2qlf s LEU 595 N -0.86 3.69 -0.07 4.03 1.43 -1.15 -1.17 118.68 124.59 2qlf s LEU 595 Ca 0.01 2.49 0.10 0.00 -1.03 0.00 0.00 54.13 55.70 2qlf s LEU 595 Cb 0.01 -4.54 0.23 0.00 0.03 0.00 0.00 46.19 41.91 2qlf s LEU 595 CO 0.00 -1.65 1.16 0.35 0.23 0.00 0.00 176.35 176.44 2qlf n THR 596 N -1.52 1.46 -3.86 5.49 -2.24 -1.26 -4.83 114.28 107.51 2qlf n THR 596 Ca 0.13 -1.50 -0.08 0.00 -2.27 0.00 0.00 64.05 60.34 2qlf n THR 596 Cb 0.49 0.17 -0.01 0.00 -2.10 0.00 0.00 70.33 68.87 2qlf n THR 596 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2qlf s LYS 597 N -1.83 1.87 0.03 -0.78 -0.14 -1.26 -5.14 119.74 112.49 2qlf s LYS 597 Ca 0.20 -1.11 -0.25 0.00 -1.36 0.00 0.00 55.97 53.45 2qlf s LYS 597 Cb 0.16 0.60 -0.05 0.00 -1.68 0.00 0.00 37.83 36.86 2qlf s LYS 597 CO 0.05 -0.86 0.76 -1.21 -0.76 0.00 0.00 175.35 173.34 2qlf s GLU 598 N -3.58 4.49 -0.21 1.68 2.02 -1.26 -5.05 118.70 116.80 2qlf s GLU 598 Ca 0.13 1.05 -0.06 0.00 0.02 0.00 0.00 54.97 56.11 2qlf s GLU 598 Cb -0.05 -3.38 -0.03 0.00 0.10 0.00 0.00 34.13 30.77 2qlf s GLU 598 CO 0.08 0.24 0.02 -1.17 0.02 0.00 0.00 175.26 174.46 2qlf s LEU 599 N 0.11 3.38 -0.04 1.80 2.96 -1.26 -5.02 118.68 120.60 2qlf s LEU 599 Ca 0.39 -0.16 0.04 0.00 -0.22 0.00 0.00 54.13 54.18 2qlf s LEU 599 Cb -0.20 -1.87 -0.00 0.00 0.50 0.00 0.00 46.19 44.62 2qlf s LEU 599 CO 0.22 0.06 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.84 2qlf s TYR 600 N 1.04 1.61 -0.56 5.38 2.02 -1.26 -1.17 117.35 124.41 2qlf s TYR 600 Ca 0.03 -0.47 0.04 0.00 -0.37 0.00 0.00 57.07 56.29 2qlf s TYR 600 Cb -0.14 -1.10 0.28 0.00 -0.40 0.00 0.00 41.96 40.60 2qlf s TYR 600 CO 0.02 -0.17 1.06 1.19 -1.57 0.00 0.00 175.55 176.09 2qlf n PHE 601 N 3.23 0.86 -3.75 2.71 3.72 -1.26 -4.91 117.46 118.06 2qlf n PHE 601 Ca -0.18 -0.47 0.00 0.00 -0.05 0.00 0.00 57.45 56.74 2qlf n PHE 601 Cb 0.53 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 2qlf n PHE 601 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2qlf n SER 602 N 0.13 1.02 0.00 4.37 3.41 -1.26 -4.92 113.62 116.36 2qlf n SER 602 Ca 0.13 -0.75 0.00 0.00 -0.26 0.00 0.00 58.87 58.00 2qlf n SER 602 Cb 0.69 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 2qlf n SER 602 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88