#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qlb s ILE 513 N 0.00 1.65 0.38 -0.18 1.09 -1.26 -5.12 121.20 117.77 2qlb s ILE 513 Ca 0.00 -0.88 -0.28 0.00 -1.10 0.00 0.00 60.65 58.40 2qlb s ILE 513 Cb 0.00 -1.38 -0.10 0.00 -1.06 0.00 0.00 42.46 39.92 2qlb s ILE 513 CO 0.00 0.47 1.43 -2.84 -0.10 0.00 0.00 174.94 173.90 2qlb s PRO 514 N -0.36 4.07 0.55 2.79 0.02 -1.26 -4.88 135.00 135.93 2qlb s PRO 514 Ca 0.05 2.45 0.32 0.00 0.02 0.00 0.00 61.00 63.84 2qlb s PRO 514 Cb -0.09 -2.92 1.57 0.00 0.02 0.00 0.00 34.50 33.08 2qlb s PRO 514 CO 0.00 -0.52 2.08 -0.39 -0.33 0.00 0.00 177.00 177.85 2qlb h VAL 515 N 2.83 0.32 -0.20 3.83 -1.51 -2.05 -2.51 116.25 116.96 2qlb h VAL 515 Ca -0.50 -0.48 0.00 0.00 -1.23 0.00 0.00 66.70 64.48 2qlb h VAL 515 Cb 1.24 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 31.76 2qlb h VAL 515 CO 0.64 0.08 0.00 -0.62 -1.23 0.00 0.00 177.57 176.43 2qlb n GLU 516 N -3.37 1.93 -2.43 5.19 -0.58 -1.26 -4.96 120.64 115.16 2qlb n GLU 516 Ca -0.01 -1.40 -0.32 0.00 -0.42 0.00 0.00 57.16 55.00 2qlb n GLU 516 Cb 0.24 -1.43 -0.03 0.00 -0.57 0.00 0.00 31.44 29.65 2qlb n GLU 516 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qlb s ALA 517 N -1.75 3.01 -0.62 0.62 0.00 -0.95 -4.24 121.76 117.83 2qlb s ALA 517 Ca 0.34 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.56 2qlb s ALA 517 Cb 0.19 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 20.16 2qlb s ALA 517 CO 0.28 -0.25 0.00 -0.25 0.00 0.00 0.00 175.76 175.54 2qlb n ASP 518 N -1.45 -3.06 -4.79 0.00 8.00 -0.46 -5.00 116.55 109.78 2qlb n ASP 518 Ca 0.07 0.06 -0.29 0.00 0.71 0.00 0.00 54.79 55.34 2qlb n ASP 518 Cb 0.54 -1.90 -0.06 0.00 -0.02 0.00 0.00 41.12 39.68 2qlb n ASP 518 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2qlb s PHE 519 N -2.30 3.20 -0.08 1.24 0.40 -1.26 -4.81 117.98 114.37 2qlb s PHE 519 Ca 0.00 0.06 -0.03 0.00 -0.60 0.00 0.00 56.93 56.36 2qlb s PHE 519 Cb 0.00 -1.60 0.04 0.00 0.51 0.00 0.00 43.02 41.98 2qlb s PHE 519 CO 0.00 0.52 0.17 -1.17 0.70 0.00 0.00 175.22 175.44 2qlb s LEU 520 N -2.62 0.53 -0.18 -0.37 0.20 -1.26 -0.72 118.68 114.27 2qlb s LEU 520 Ca 0.30 0.35 0.00 0.00 0.69 0.00 0.00 54.13 55.47 2qlb s LEU 520 Cb -0.12 0.42 0.01 0.00 -0.43 0.00 0.00 46.19 46.08 2qlb s LEU 520 CO 0.23 -0.17 -0.16 -0.36 -0.29 0.00 0.00 176.35 175.60 2qlb s PHE 521 N 1.38 2.80 -0.48 5.38 0.40 0.50 -5.00 117.98 122.95 2qlb s PHE 521 Ca -0.07 -1.35 -0.06 0.00 -0.60 0.00 0.00 56.93 54.85 2qlb s PHE 521 Cb -0.11 -1.93 0.12 0.00 0.51 0.00 0.00 43.02 41.61 2qlb s PHE 521 CO -0.06 -0.66 0.32 0.00 0.70 0.00 0.00 175.22 175.51 2qlb s ALA 522 N 1.16 3.35 0.18 5.36 0.00 -1.26 -0.53 121.76 130.03 2qlb s ALA 522 Ca 0.01 -2.66 -0.15 0.00 0.00 0.00 0.00 51.96 49.16 2qlb s ALA 522 Cb -0.14 -2.67 -0.07 0.00 0.00 0.00 0.00 23.12 20.24 2qlb s ALA 522 CO -0.07 -1.90 0.60 0.71 0.00 0.00 0.00 175.76 175.10 2qlb s TYR 523 N 1.05 3.58 -0.17 0.00 1.51 0.23 -4.98 117.35 118.58 2qlb s TYR 523 Ca 0.09 1.13 0.29 0.00 -1.01 0.00 0.00 57.07 57.57 2qlb s TYR 523 Cb -0.24 -2.43 1.06 0.00 -0.11 0.00 0.00 41.96 40.25 2qlb s TYR 523 CO -0.03 0.37 1.85 0.66 -1.11 0.00 0.00 175.55 177.29 2qlb h SER 524 N 3.34 0.00 -5.35 2.29 4.64 -1.94 -1.17 113.55 115.36 2qlb h SER 524 Ca -0.48 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.71 2qlb h SER 524 Cb 1.19 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.19 2qlb h SER 524 CO 0.66 0.00 -0.19 0.28 -0.87 0.00 0.00 176.83 176.71 2qlb s THR 525 N -3.48 0.00 0.47 2.95 -1.32 -1.26 -3.68 115.64 109.33 2qlb s THR 525 Ca 0.03 -1.52 -0.07 0.00 -1.21 0.00 0.00 61.69 58.93 2qlb s THR 525 Cb 0.08 -2.37 -0.04 0.00 -1.51 0.00 0.00 72.50 68.66 2qlb s THR 525 CO 0.54 0.00 0.80 0.68 -2.21 0.00 0.00 174.62 174.43 2qlb s VAL 526 N -3.74 4.87 0.11 5.08 -7.23 -1.16 -4.07 120.40 114.26 2qlb s VAL 526 Ca 0.26 0.35 -0.35 0.00 -1.81 0.00 0.00 61.98 60.43 2qlb s VAL 526 Cb 0.00 -3.84 -0.16 0.00 0.56 0.00 0.00 36.38 32.94 2qlb s VAL 526 CO 0.12 -0.80 1.27 -2.65 -0.31 0.00 0.00 175.10 172.73 2qlb n PRO 527 N -2.08 1.11 -0.01 4.82 -0.02 -1.26 -2.04 135.00 135.52 2qlb n PRO 527 Ca 0.01 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 2qlb n PRO 527 Cb 0.55 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 2qlb n PRO 527 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qlb n GLY 528 N 2.31 2.04 3.92 -1.23 0.00 -1.26 -5.04 105.19 105.93 2qlb n GLY 528 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 2qlb n GLY 528 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qlb s TYR 529 N -2.70 2.97 0.80 1.61 1.51 -0.87 -5.12 117.35 115.56 2qlb s TYR 529 Ca 0.00 -0.28 -0.12 0.00 -1.01 0.00 0.00 57.07 55.66 2qlb s TYR 529 Cb 0.00 -1.92 0.07 0.00 -0.11 0.00 0.00 41.96 40.00 2qlb s TYR 529 CO 0.00 0.07 1.17 0.71 -1.11 0.00 0.00 175.55 176.39 2qlb s TYR 530 N -2.26 2.99 -0.03 2.71 2.02 -1.26 -4.86 117.35 116.66 2qlb s TYR 530 Ca 0.43 0.79 0.03 0.00 -0.37 0.00 0.00 57.07 57.95 2qlb s TYR 530 Cb -0.07 -3.44 0.00 0.00 -0.40 0.00 0.00 41.96 38.04 2qlb s TYR 530 CO 0.29 -1.71 -0.11 0.45 -1.57 0.00 0.00 175.55 172.90 2qlb s SER 531 N -4.55 1.42 0.03 2.29 0.15 -1.26 -4.84 113.70 106.94 2qlb s SER 531 Ca 0.62 -0.22 -0.10 0.00 0.70 0.00 0.00 55.95 56.94 2qlb s SER 531 Cb -0.11 -0.39 -0.05 0.00 -1.71 0.00 0.00 66.02 63.76 2qlb s SER 531 CO 0.49 0.08 0.36 0.26 1.20 0.00 0.00 173.24 175.64 2qlb s TRP 532 N 0.17 3.62 -0.02 3.44 0.52 -1.26 -5.08 118.94 120.34 2qlb s TRP 532 Ca -0.03 0.79 -0.00 0.00 0.02 0.00 0.00 56.10 56.87 2qlb s TRP 532 Cb -0.09 -2.15 0.02 0.00 -1.15 0.00 0.00 33.47 30.10 2qlb s TRP 532 CO 0.01 0.58 0.03 0.50 0.02 0.00 0.00 176.95 178.09 2qlb s ARG 533 N -1.60 -0.02 -0.26 4.98 3.52 -1.26 -2.53 118.95 121.78 2qlb s ARG 533 Ca 0.28 0.15 -0.14 0.00 -0.13 0.00 0.00 55.73 55.90 2qlb s ARG 533 Cb -0.14 -0.18 -0.04 0.00 -1.56 0.00 0.00 34.95 33.03 2qlb s ARG 533 CO 0.15 -0.12 0.32 0.45 -0.81 0.00 0.00 175.30 175.29 2qlb s SER 534 N 0.80 6.22 0.61 -2.12 0.15 -0.09 -4.89 113.70 114.38 2qlb s SER 534 Ca -0.07 0.25 0.30 0.00 0.70 0.00 0.00 55.95 57.14 2qlb s SER 534 Cb -0.09 -2.19 1.67 0.00 -1.71 0.00 0.00 66.02 63.70 2qlb s SER 534 CO -0.02 -0.12 2.03 -0.65 1.20 0.00 0.00 173.24 175.67 2qlb h PRO 535 N 8.04 0.00 0.00 5.44 0.11 -2.01 0.41 132.00 143.98 2qlb h PRO 535 Ca -0.33 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.50 2qlb h PRO 535 Cb 1.17 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 2qlb h PRO 535 CO 0.64 0.00 -2.19 0.41 -0.21 0.00 0.00 178.00 176.65 2qlb n GLY 536 N -1.36 -0.90 0.00 -0.55 0.00 -1.26 -4.67 105.19 96.46 2qlb n GLY 536 Ca 0.02 -0.33 0.04 0.00 0.00 0.00 0.00 46.02 45.75 2qlb n GLY 536 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qlb n ARG 537 N -2.59 2.78 0.00 1.61 1.74 -1.05 -5.13 116.66 114.03 2qlb n ARG 537 Ca -0.25 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 56.80 2qlb n ARG 537 Cb 1.00 -1.01 0.00 0.00 -1.02 0.00 0.00 32.46 31.43 2qlb n ARG 537 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qlb n GLY 538 N 1.49 -3.82 3.78 -0.13 0.00 0.14 -4.86 105.19 101.79 2qlb n GLY 538 Ca 0.00 -2.13 -0.35 0.00 0.00 0.00 0.00 46.02 43.55 2qlb n GLY 538 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qlb s SER 539 N -0.46 5.74 0.10 1.61 1.04 -1.26 -0.92 113.70 119.56 2qlb s SER 539 Ca 0.00 2.16 -0.22 0.00 0.48 0.00 0.00 55.95 58.36 2qlb s SER 539 Cb 0.00 -2.58 -0.11 0.00 0.10 0.00 0.00 66.02 63.43 2qlb s SER 539 CO 0.00 -1.20 1.73 -0.50 0.98 0.00 0.00 173.24 174.25 2qlb h TRP 540 N 1.19 -0.04 -0.53 5.02 6.55 -1.87 -1.59 115.95 124.68 2qlb h TRP 540 Ca -0.50 0.01 0.07 0.00 0.95 0.00 0.00 58.89 59.41 2qlb h TRP 540 Cb 1.26 0.02 -0.06 0.00 -0.86 0.00 0.00 29.16 29.53 2qlb h TRP 540 CO 0.52 -0.03 0.22 0.35 -1.05 0.00 0.00 178.44 178.45 2qlb h PHE 541 N -0.00 0.39 -0.40 0.49 3.57 -1.90 -0.69 116.94 118.39 2qlb h PHE 541 Ca 0.03 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.44 2qlb h PHE 541 Cb 0.05 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 2qlb h PHE 541 CO -0.12 0.14 -0.17 0.28 -2.23 0.00 0.00 178.31 176.21 2qlb h VAL 542 N 0.42 1.28 -0.27 1.41 2.07 -1.92 0.59 116.25 119.82 2qlb h VAL 542 Ca 0.25 -1.31 0.05 0.00 0.82 0.00 0.00 66.70 66.51 2qlb h VAL 542 Cb 0.25 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 2qlb h VAL 542 CO -0.23 0.44 -0.01 1.56 0.02 0.00 0.00 177.57 179.35 2qlb h GLN 543 N 0.64 0.07 0.09 1.57 4.20 -0.91 -1.02 115.11 119.76 2qlb h GLN 543 Ca 0.09 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 2qlb h GLN 543 Cb 0.73 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.49 2qlb h GLN 543 CO 0.05 0.05 -0.04 0.00 -0.67 0.00 0.00 178.83 178.22 2qlb h ALA 544 N 1.24 -0.12 -0.50 3.87 0.00 -0.99 -2.24 119.26 120.51 2qlb h ALA 544 Ca 0.13 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.02 2qlb h ALA 544 Cb 0.17 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 2qlb h ALA 544 CO -0.23 -0.47 0.06 1.25 0.00 0.00 0.00 179.25 179.86 2qlb h LEU 545 N -0.31 -0.09 -0.71 0.00 5.85 -0.65 -0.76 115.31 118.62 2qlb h LEU 545 Ca -0.01 0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 2qlb h LEU 545 Cb 0.26 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 2qlb h LEU 545 CO 0.02 -0.02 -0.09 0.00 -0.34 0.00 0.00 178.44 178.01 2qlb h SER 547 N 0.81 -0.47 -0.66 0.00 0.87 -0.73 0.11 113.55 113.48 2qlb h SER 547 Ca 0.14 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 2qlb h SER 547 Cb 0.61 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.67 2qlb h SER 547 CO 0.04 -0.32 0.28 0.40 -0.53 0.00 0.00 176.83 176.70 2qlb h ILE 548 N -0.52 1.24 -0.37 2.23 1.08 -1.10 -2.75 117.51 117.32 2qlb h ILE 548 Ca -0.05 -0.72 -0.07 0.00 -0.39 0.00 0.00 64.86 63.64 2qlb h ILE 548 Cb 0.41 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 34.61 2qlb h ILE 548 CO 0.07 0.29 -0.04 -0.07 -0.69 0.00 0.00 178.15 177.70 2qlb h LEU 549 N 0.93 0.58 -1.15 1.44 3.38 -0.89 0.29 115.31 119.88 2qlb h LEU 549 Ca 0.22 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 2qlb h LEU 549 Cb 0.18 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2qlb h LEU 549 CO -0.02 0.68 -0.13 -0.33 0.09 0.00 0.00 178.44 178.73 2qlb h GLU 550 N 0.57 0.44 0.15 1.13 5.08 -0.54 0.18 114.58 121.58 2qlb h GLU 550 Ca 0.11 -0.12 -0.32 0.00 -1.00 0.00 0.00 59.36 58.03 2qlb h GLU 550 Cb 0.43 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2qlb h GLU 550 CO 0.02 0.57 -1.63 0.93 -1.00 0.00 0.00 179.01 177.90 2qlb h GLU 551 N 0.41 0.31 0.00 2.33 5.08 -1.16 -3.43 114.58 118.12 2qlb h GLU 551 Ca 0.08 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2qlb h GLU 551 Cb 0.48 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2qlb h GLU 551 CO 0.03 1.25 0.00 0.72 -1.00 0.00 0.00 179.01 180.01 2qlb n HIS 552 N -3.73 0.00 0.20 4.33 8.25 0.97 -4.80 115.22 120.43 2qlb n HIS 552 Ca -0.26 -0.13 0.17 0.00 -0.26 0.00 0.00 57.72 57.25 2qlb n HIS 552 Cb 0.99 -0.01 0.73 0.00 1.12 0.00 0.00 29.99 32.82 2qlb n HIS 552 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2qlb h GLY 553 N 0.00 0.00 -0.70 -1.41 0.00 -1.00 -0.42 103.07 99.54 2qlb h GLY 553 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2qlb h GLY 553 CO 0.00 0.00 -0.55 1.17 0.00 0.00 0.00 176.54 177.16 2qlb n LYS 554 N -3.26 0.96 0.00 4.80 3.00 -1.26 -4.44 118.16 117.97 2qlb n LYS 554 Ca 0.03 -0.78 0.00 0.00 -0.00 0.00 0.00 58.31 57.56 2qlb n LYS 554 Cb 0.57 -1.48 0.00 0.00 0.00 0.00 0.00 35.03 34.11 2qlb n LYS 554 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2qlb n ASP 555 N -0.34 0.30 -4.52 3.14 5.68 -0.23 -4.65 116.55 115.94 2qlb n ASP 555 Ca 0.09 -1.01 -0.28 0.00 -0.50 0.00 0.00 54.79 53.09 2qlb n ASP 555 Cb 0.43 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.31 2qlb n ASP 555 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2qlb s LEU 556 N -0.01 2.80 0.59 -2.12 1.43 -0.82 -5.12 118.68 115.43 2qlb s LEU 556 Ca 0.00 -0.58 -0.17 0.00 -1.03 0.00 0.00 54.13 52.35 2qlb s LEU 556 Cb 0.00 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 2qlb s LEU 556 CO 0.00 0.15 1.09 -0.70 0.23 0.00 0.00 176.35 177.12 2qlb s GLU 557 N -2.41 3.23 0.29 1.70 -6.30 -1.26 -4.69 118.70 109.27 2qlb s GLU 557 Ca 0.21 1.38 0.04 0.00 -2.50 0.00 0.00 54.97 54.10 2qlb s GLU 557 Cb -0.10 -2.01 0.66 0.00 0.00 0.00 0.00 34.13 32.69 2qlb s GLU 557 CO 0.12 -0.90 1.79 0.97 0.02 0.00 0.00 175.26 177.26 2qlb h ILE 558 N 0.65 0.77 -0.11 -3.70 6.09 -1.49 -1.21 117.51 118.51 2qlb h ILE 558 Ca -0.48 -0.28 -0.12 0.00 -1.37 0.00 0.00 64.86 62.61 2qlb h ILE 558 Cb 1.24 -0.12 -0.01 0.00 0.47 0.00 0.00 36.82 38.40 2qlb h ILE 558 CO 0.56 0.15 -0.46 0.24 -3.07 0.00 0.00 178.15 175.57 2qlb h MET 559 N 0.82 0.27 -0.56 2.19 2.86 -1.92 -1.60 114.93 117.00 2qlb h MET 559 Ca 0.55 -0.14 -0.08 0.00 -2.06 0.00 0.00 59.70 57.96 2qlb h MET 559 Cb 0.76 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.40 2qlb h MET 559 CO -0.35 0.68 0.02 1.96 1.06 0.00 0.00 176.91 180.29 2qlb h GLN 560 N 0.22 0.97 0.17 1.72 4.20 -1.62 -0.31 115.11 120.46 2qlb h GLN 560 Ca 0.01 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 2qlb h GLN 560 Cb 0.90 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.59 2qlb h GLN 560 CO 0.07 0.96 -0.08 0.82 -0.67 0.00 0.00 178.83 179.93 2qlb h ILE 561 N 0.85 0.90 0.00 2.54 2.04 -1.13 -2.04 117.51 120.68 2qlb h ILE 561 Ca 0.16 -0.31 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 2qlb h ILE 561 Cb 0.51 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 2qlb h ILE 561 CO 0.02 0.07 -0.27 -0.07 0.00 0.00 0.00 178.15 177.90 2qlb h LEU 562 N -0.37 0.00 -0.47 1.44 3.38 -1.23 -0.54 115.31 117.52 2qlb h LEU 562 Ca -0.02 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 2qlb h LEU 562 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2qlb h LEU 562 CO 0.04 0.27 -0.49 0.74 0.09 0.00 0.00 178.44 179.09 2qlb h THR 563 N 0.00 1.29 -0.19 0.22 2.02 -0.93 0.12 112.91 115.44 2qlb h THR 563 Ca -0.00 -1.69 -0.12 0.00 0.77 0.00 0.00 66.41 65.37 2qlb h THR 563 Cb 0.60 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 2qlb h THR 563 CO 0.04 0.54 -0.39 0.03 0.37 0.00 0.00 175.52 176.11 2qlb h ARG 564 N 0.57 0.43 -0.58 6.66 3.08 -0.79 -1.74 114.38 122.01 2qlb h ARG 564 Ca 0.03 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 2qlb h ARG 564 Cb 1.05 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.08 2qlb h ARG 564 CO 0.10 0.76 0.10 0.28 -1.07 0.00 0.00 179.97 180.14 2qlb h VAL 565 N 0.36 1.26 -0.47 2.04 2.07 -0.72 -0.93 116.25 119.85 2qlb h VAL 565 Ca 0.04 -0.97 0.04 0.00 0.82 0.00 0.00 66.70 66.62 2qlb h VAL 565 Cb 0.84 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 2qlb h VAL 565 CO 0.07 0.36 0.24 0.78 0.02 0.00 0.00 177.57 179.04 2qlb h ASN 566 N 0.86 0.36 -0.40 0.57 2.35 -0.30 -1.83 115.58 117.19 2qlb h ASN 566 Ca 0.18 0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.84 2qlb h ASN 566 Cb 0.41 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 2qlb h ASN 566 CO 0.01 0.25 -0.14 -0.78 -1.65 0.00 0.00 177.43 175.12 2qlb h ASP 567 N 0.48 0.87 -0.47 5.81 3.58 -1.03 -1.86 116.42 123.80 2qlb h ASP 567 Ca 0.21 -0.28 -0.09 0.00 0.42 0.00 0.00 57.03 57.28 2qlb h ASP 567 Cb 0.10 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 2qlb h ASP 567 CO -0.14 1.01 -0.06 -0.09 -2.88 0.00 0.00 179.24 177.08 2qlb h ARG 568 N 0.77 0.87 -0.35 0.28 2.43 -0.86 -0.99 114.38 116.53 2qlb h ARG 568 Ca 0.12 -0.31 -0.15 0.00 -0.81 0.00 0.00 59.98 58.83 2qlb h ARG 568 Cb 0.66 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2qlb h ARG 568 CO 0.05 0.94 -0.38 0.28 -1.51 0.00 0.00 179.97 179.35 2qlb h VAL 569 N 0.72 1.28 -0.55 0.20 2.07 -1.31 -0.54 116.25 118.13 2qlb h VAL 569 Ca 0.13 -1.56 -0.10 0.00 0.82 0.00 0.00 66.70 65.99 2qlb h VAL 569 Cb 0.59 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 2qlb h VAL 569 CO 0.04 0.51 -0.07 0.00 0.02 0.00 0.00 177.57 178.07 2qlb h ALA 570 N 0.87 0.84 0.05 1.67 0.00 -1.20 -3.24 119.26 118.25 2qlb h ALA 570 Ca 0.06 -0.33 -0.35 0.00 0.00 0.00 0.00 54.91 54.28 2qlb h ALA 570 Cb 0.95 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2qlb h ALA 570 CO 0.09 0.66 -1.98 0.54 0.00 0.00 0.00 179.25 178.56 2qlb n ARG 571 N -4.16 0.66 0.16 0.00 1.74 -0.39 -4.58 116.66 110.10 2qlb n ARG 571 Ca 0.02 0.32 0.13 0.00 -0.77 0.00 0.00 57.85 57.56 2qlb n ARG 571 Cb 0.38 -1.65 0.42 0.00 -1.02 0.00 0.00 32.46 30.59 2qlb n ARG 571 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2qlb h HIS 572 N -0.39 0.00 -4.16 -1.55 2.76 -1.25 -3.46 115.15 107.10 2qlb h HIS 572 Ca -0.48 0.00 -0.69 0.00 -2.20 0.00 0.00 60.37 57.00 2qlb h HIS 572 Cb 1.75 0.00 -0.25 0.00 1.55 0.00 0.00 27.41 30.47 2qlb h HIS 572 CO 0.05 0.00 -0.85 -0.06 -1.30 0.00 0.00 177.93 175.77 2qlb s PHE 573 N -3.27 2.41 -0.17 5.26 0.40 -1.22 -5.06 117.98 116.32 2qlb s PHE 573 Ca 0.07 -0.35 -0.10 0.00 -0.60 0.00 0.00 56.93 55.94 2qlb s PHE 573 Cb 0.09 -1.41 0.06 0.00 0.51 0.00 0.00 43.02 42.27 2qlb s PHE 573 CO 0.55 0.19 0.41 -2.00 0.70 0.00 0.00 175.22 175.07 2qlb s GLU 574 N -1.36 0.41 0.61 0.44 2.12 -1.26 -4.68 118.70 114.97 2qlb s GLU 574 Ca 0.13 0.75 -0.17 0.00 0.36 0.00 0.00 54.97 56.05 2qlb s GLU 574 Cb -0.10 0.02 -0.03 0.00 0.26 0.00 0.00 34.13 34.28 2qlb s GLU 574 CO 0.03 -0.14 1.11 -1.54 -0.54 0.00 0.00 175.26 174.18 2qlb s SER 575 N 1.21 5.41 -0.07 -1.70 1.04 -0.26 -4.85 113.70 114.49 2qlb s SER 575 Ca -0.08 2.04 0.00 0.00 0.48 0.00 0.00 55.95 58.39 2qlb s SER 575 Cb -0.08 -2.56 0.02 0.00 0.10 0.00 0.00 66.02 63.51 2qlb s SER 575 CO -0.11 -1.42 -0.05 -1.10 0.98 0.00 0.00 173.24 171.54 2qlb s GLN 576 N -3.80 1.04 -0.13 4.02 -0.21 -1.26 -0.79 119.66 118.54 2qlb s GLN 576 Ca 0.69 -0.13 -0.26 0.00 0.02 0.00 0.00 55.36 55.68 2qlb s GLN 576 Cb -0.21 -1.10 0.06 0.00 1.00 0.00 0.00 33.01 32.76 2qlb s GLN 576 CO 0.36 -0.15 0.63 0.45 -2.12 0.00 0.00 175.29 174.45 2qlb s SER 577 N 1.28 -0.62 0.14 5.90 0.15 -1.26 -4.99 113.70 114.30 2qlb s SER 577 Ca -0.05 0.90 -0.17 0.00 0.70 0.00 0.00 55.95 57.33 2qlb s SER 577 Cb -0.14 0.85 -0.01 0.00 -1.71 0.00 0.00 66.02 65.01 2qlb s SER 577 CO -0.02 -0.43 1.79 0.44 1.20 0.00 0.00 173.24 176.22 2qlb h ASP 578 N 3.98 0.40 -2.33 5.45 3.32 -2.01 -3.40 116.42 121.84 2qlb h ASP 578 Ca -0.28 -0.03 -0.55 0.00 0.02 0.00 0.00 57.03 56.19 2qlb h ASP 578 Cb 1.15 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 40.61 2qlb h ASP 578 CO 0.27 0.31 1.29 -0.62 -1.72 0.00 0.00 179.24 178.76 2qlb s ASP 579 N -5.53 6.16 0.44 6.45 -1.08 -1.26 -4.84 116.67 117.00 2qlb s ASP 579 Ca -0.13 2.27 0.30 0.00 -0.52 0.00 0.00 52.55 54.47 2qlb s ASP 579 Cb 0.10 -2.52 1.57 0.00 -1.46 0.00 0.00 42.92 40.60 2qlb s ASP 579 CO 0.72 -1.34 1.91 1.55 0.52 0.00 0.00 175.17 178.52 2qlb h PRO 580 N 11.88 0.00 0.00 4.34 0.13 -1.97 -2.35 132.00 144.03 2qlb h PRO 580 Ca -0.44 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.58 2qlb h PRO 580 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 2qlb h PRO 580 CO 0.96 0.00 -0.52 1.25 -0.23 0.00 0.00 178.00 179.46 2qlb h HIS 581 N 0.00 0.00 -0.21 1.56 2.76 -1.92 -3.07 115.15 114.27 2qlb h HIS 581 Ca 0.00 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.11 2qlb h HIS 581 Cb 0.06 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 28.98 2qlb h HIS 581 CO 0.00 0.52 -0.08 1.19 -1.30 0.00 0.00 177.93 178.25 2qlb n PHE 582 N -3.83 0.68 -3.59 5.26 3.01 -0.89 -5.02 117.46 113.08 2qlb n PHE 582 Ca -0.01 -1.22 -0.37 0.00 1.01 0.00 0.00 57.45 56.86 2qlb n PHE 582 Cb 0.54 -0.33 -0.06 0.00 -0.01 0.00 0.00 39.48 39.62 2qlb n PHE 582 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 2qlb s HIS 583 N -3.03 3.58 -1.33 1.38 2.46 -1.16 -4.34 115.29 112.85 2qlb s HIS 583 Ca 0.40 0.73 -0.07 0.00 0.47 0.00 0.00 55.06 56.59 2qlb s HIS 583 Cb 0.35 -2.24 0.01 0.00 -0.13 0.00 0.00 32.58 30.57 2qlb s HIS 583 CO 0.03 0.48 0.96 0.39 -2.47 0.00 0.00 174.74 174.13 2qlb n GLU 584 N 2.63 -6.68 -3.35 2.88 1.02 0.03 -4.97 120.64 112.21 2qlb n GLU 584 Ca -0.14 0.80 -0.31 0.00 -0.02 0.00 0.00 57.16 57.50 2qlb n GLU 584 Cb 0.53 -5.66 -0.04 0.00 -0.02 0.00 0.00 31.44 26.24 2qlb n GLU 584 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2qlb s LYS 585 N -6.06 3.74 0.46 3.49 -0.14 -1.26 -4.70 119.74 115.27 2qlb s LYS 585 Ca 0.48 0.19 0.06 0.00 -1.36 0.00 0.00 55.97 55.34 2qlb s LYS 585 Cb -0.21 -2.63 -0.01 0.00 -1.68 0.00 0.00 37.83 33.29 2qlb s LYS 585 CO 0.59 0.26 0.29 0.15 -0.76 0.00 0.00 175.35 175.87 2qlb s LYS 586 N -3.15 2.30 -0.06 1.68 -0.14 -1.26 -1.10 119.74 118.02 2qlb s LYS 586 Ca 0.46 -1.86 -0.12 0.00 -1.36 0.00 0.00 55.97 53.10 2qlb s LYS 586 Cb -0.11 -2.09 0.02 0.00 -1.68 0.00 0.00 37.83 33.98 2qlb s LYS 586 CO 0.25 -0.31 0.28 -1.14 -0.76 0.00 0.00 175.35 173.68 2qlb s GLN 587 N -4.07 0.48 -0.06 1.68 0.74 -1.26 -5.02 119.66 112.15 2qlb s GLN 587 Ca 0.39 0.08 -0.01 0.00 0.05 0.00 0.00 55.36 55.86 2qlb s GLN 587 Cb 0.00 0.22 0.03 0.00 1.10 0.00 0.00 33.01 34.36 2qlb s GLN 587 CO 0.22 -0.10 0.01 -1.50 -0.55 0.00 0.00 175.29 173.37 2qlb s ILE 588 N -0.60 0.26 1.06 -2.34 1.10 -1.26 -3.59 121.20 115.83 2qlb s ILE 588 Ca -0.07 0.16 -0.14 0.00 -0.51 0.00 0.00 60.65 60.09 2qlb s ILE 588 Cb -0.04 -0.42 0.22 0.00 0.15 0.00 0.00 42.46 42.37 2qlb s ILE 588 CO 0.02 0.23 1.10 -2.84 -2.11 0.00 0.00 174.94 171.34 2qlb s PRO 589 N 1.81 -0.05 -0.07 3.50 0.02 -1.24 -3.00 135.00 135.97 2qlb s PRO 589 Ca 0.02 0.33 -0.02 0.00 0.02 0.00 0.00 61.00 61.35 2qlb s PRO 589 Cb -0.12 -1.70 0.03 0.00 0.02 0.00 0.00 34.50 32.73 2qlb s PRO 589 CO -0.04 -3.01 0.03 0.00 -0.33 0.00 0.00 177.00 173.65 2qlb s VAL 591 N 2.06 4.65 -0.20 0.00 1.01 -1.26 -0.60 120.40 126.06 2qlb s VAL 591 Ca 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 2qlb s VAL 591 Cb -0.12 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.13 2qlb s VAL 591 CO -0.05 0.39 -0.12 -0.69 0.00 0.00 0.00 175.10 174.63 2qlb s VAL 592 N 1.00 2.66 -0.08 2.92 1.01 0.32 -5.00 120.40 123.23 2qlb s VAL 592 Ca 0.04 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.29 2qlb s VAL 592 Cb -0.14 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.05 2qlb s VAL 592 CO 0.03 0.46 -0.21 -0.55 0.00 0.00 0.00 175.10 174.83 2qlb s SER 593 N 1.37 2.69 -0.07 3.32 0.15 -1.26 -0.37 113.70 119.52 2qlb s SER 593 Ca 0.05 -0.47 0.10 0.00 0.70 0.00 0.00 55.95 56.33 2qlb s SER 593 Cb -0.14 -1.11 0.15 0.00 -1.71 0.00 0.00 66.02 63.22 2qlb s SER 593 CO -0.08 0.14 1.06 0.23 1.20 0.00 0.00 173.24 175.79 2qlb n MET 594 N 3.46 1.89 -2.13 5.44 2.81 0.11 -5.03 117.12 123.67 2qlb n MET 594 Ca -0.20 -2.01 -0.37 0.00 -1.81 0.00 0.00 57.70 53.31 2qlb n MET 594 Cb 0.53 -1.23 0.01 0.00 -0.71 0.00 0.00 33.22 31.82 2qlb n MET 594 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2qlb s LEU 595 N -1.91 3.88 0.00 4.03 1.43 -1.19 -1.35 118.68 123.56 2qlb s LEU 595 Ca 0.17 2.38 0.12 0.00 -1.03 0.00 0.00 54.13 55.77 2qlb s LEU 595 Cb 0.15 -4.37 0.17 0.00 0.03 0.00 0.00 46.19 42.17 2qlb s LEU 595 CO 0.02 -1.21 1.01 0.35 0.23 0.00 0.00 176.35 176.75 2qlb n THR 596 N -0.92 0.31 -3.99 5.49 -2.24 -1.26 -4.87 114.28 106.80 2qlb n THR 596 Ca 0.10 -0.65 -0.09 0.00 -2.27 0.00 0.00 64.05 61.13 2qlb n THR 596 Cb 0.48 1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 69.68 2qlb n THR 596 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2qlb s LYS 597 N -1.02 1.44 0.25 -0.78 -0.14 -1.26 -5.15 119.74 113.08 2qlb s LYS 597 Ca 0.18 -1.23 -0.30 0.00 -1.36 0.00 0.00 55.97 53.26 2qlb s LYS 597 Cb 0.11 0.44 -0.09 0.00 -1.68 0.00 0.00 37.83 36.62 2qlb s LYS 597 CO 0.16 -0.58 0.94 -1.21 -0.76 0.00 0.00 175.35 173.90 2qlb s GLU 598 N -4.01 4.84 -0.18 1.68 2.02 -1.26 -5.05 118.70 116.74 2qlb s GLU 598 Ca 0.22 1.48 -0.01 0.00 0.02 0.00 0.00 54.97 56.68 2qlb s GLU 598 Cb 0.01 -3.25 -0.00 0.00 0.10 0.00 0.00 34.13 30.99 2qlb s GLU 598 CO 0.07 0.50 -0.12 -1.17 0.02 0.00 0.00 175.26 174.56 2qlb s LEU 599 N -1.24 2.58 -0.03 1.80 2.96 -1.26 -5.03 118.68 118.46 2qlb s LEU 599 Ca 0.42 -0.46 0.06 0.00 -0.22 0.00 0.00 54.13 53.92 2qlb s LEU 599 Cb -0.26 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 44.81 2qlb s LEU 599 CO 0.32 0.04 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.85 2qlb s TYR 600 N 1.12 2.06 -2.08 5.38 2.02 -1.26 -1.03 117.35 123.55 2qlb s TYR 600 Ca 0.01 -0.49 0.14 0.00 -0.37 0.00 0.00 57.07 56.36 2qlb s TYR 600 Cb -0.14 -1.34 0.62 0.00 -0.40 0.00 0.00 41.96 40.69 2qlb s TYR 600 CO -0.04 -0.11 1.43 1.19 -1.57 0.00 0.00 175.55 176.46 2qlb n PHE 601 N 2.75 0.16 -3.68 2.71 3.72 -1.26 -4.94 117.46 116.92 2qlb n PHE 601 Ca -0.16 -0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 2qlb n PHE 601 Cb 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 2qlb n PHE 601 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2qlb n SER 602 N -0.13 0.17 0.00 4.37 3.41 -1.26 -5.02 113.62 115.16 2qlb n SER 602 Ca 0.11 -0.68 0.00 0.00 -0.26 0.00 0.00 58.87 58.04 2qlb n SER 602 Cb 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 2qlb n SER 602 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88