#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qhb s ARG 575 N 0.00 3.20 0.42 -0.14 0.52 -1.26 -4.95 118.95 116.74 2qhb s ARG 575 Ca 0.00 1.99 -0.27 0.00 -0.52 0.00 0.00 55.73 56.94 2qhb s ARG 575 Cb 0.00 -2.17 -0.09 0.00 0.52 0.00 0.00 34.95 33.21 2qhb s ARG 575 CO 0.00 -1.07 1.45 0.42 0.02 0.00 0.00 175.30 176.13 2qhb s ILE 576 N -1.45 2.06 -0.35 1.52 1.01 -1.26 -4.93 121.20 117.80 2qhb s ILE 576 Ca 0.72 0.06 -0.28 0.00 0.00 0.00 0.00 60.65 61.15 2qhb s ILE 576 Cb -0.34 -3.04 0.02 0.00 0.01 0.00 0.00 42.46 39.11 2qhb s ILE 576 CO 0.40 0.01 1.03 -0.60 0.00 0.00 0.00 174.94 175.78 2qhb s ARG 577 N -2.29 3.97 -0.32 2.79 3.52 -1.26 -5.00 118.95 120.37 2qhb s ARG 577 Ca 0.57 0.88 0.02 0.00 -0.13 0.00 0.00 55.73 57.08 2qhb s ARG 577 Cb -0.45 -3.77 0.10 0.00 -1.56 0.00 0.00 34.95 29.27 2qhb s ARG 577 CO 0.59 -0.95 0.06 0.50 -0.81 0.00 0.00 175.30 174.69 2qhb s ARG 578 N 3.66 1.23 0.78 5.12 3.52 -1.26 -5.12 118.95 126.88 2qhb s ARG 578 Ca 0.43 -1.56 -0.16 0.00 -0.13 0.00 0.00 55.73 54.32 2qhb s ARG 578 Cb -0.12 -2.75 -0.04 0.00 -1.56 0.00 0.00 34.95 30.48 2qhb s ARG 578 CO 0.18 -0.94 0.35 -2.30 -0.81 0.00 0.00 175.30 171.78 2qhb n PRO 579 N 4.48 0.13 -3.09 5.12 -0.02 -1.26 -4.93 135.00 135.42 2qhb n PRO 579 Ca 0.01 0.08 -0.40 0.00 -2.02 0.00 0.00 63.50 61.17 2qhb n PRO 579 Cb 0.42 -1.71 -0.06 0.00 -0.02 0.00 0.00 33.50 32.13 2qhb n PRO 579 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2qhb s PHE 580 N -2.03 3.33 1.37 6.00 0.40 -1.26 -5.07 117.98 120.73 2qhb s PHE 580 Ca 0.61 0.91 -0.22 0.00 -0.60 0.00 0.00 56.93 57.62 2qhb s PHE 580 Cb -0.31 -2.84 0.35 0.00 0.51 0.00 0.00 43.02 40.73 2qhb s PHE 580 CO 0.63 -0.25 0.98 -1.54 0.70 0.00 0.00 175.22 175.74 2qhb s SER 581 N 1.32 -0.61 0.10 1.36 1.04 -1.26 -4.82 113.70 110.83 2qhb s SER 581 Ca 0.28 0.73 0.04 0.00 0.48 0.00 0.00 55.95 57.49 2qhb s SER 581 Cb -0.16 -1.01 -0.23 0.00 0.10 0.00 0.00 66.02 64.72 2qhb s SER 581 CO 0.09 -5.07 1.21 0.58 0.98 0.00 0.00 173.24 171.03 2qhb h VAL 582 N -3.22 1.61 -0.30 5.02 2.07 -1.95 -2.72 116.25 116.76 2qhb h VAL 582 Ca -0.43 -3.29 -0.09 0.00 0.82 0.00 0.00 66.70 63.71 2qhb h VAL 582 Cb 1.32 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 33.94 2qhb h VAL 582 CO 0.28 0.93 -0.21 0.00 0.02 0.00 0.00 177.57 178.59 2qhb h ALA 583 N 0.87 1.07 -0.01 1.67 0.00 -1.98 -0.79 119.26 120.10 2qhb h ALA 583 Ca -0.06 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2qhb h ALA 583 Cb 1.84 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 2qhb h ALA 583 CO 0.15 0.57 -0.01 0.93 0.00 0.00 0.00 179.25 180.89 2qhb h GLU 584 N 0.50 0.02 -0.90 0.00 5.08 -1.92 -0.36 114.58 117.00 2qhb h GLU 584 Ca 0.08 -0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.58 2qhb h GLU 584 Cb 0.64 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.82 2qhb h GLU 584 CO 0.05 0.48 0.58 0.28 -1.00 0.00 0.00 179.01 179.40 2qhb h VAL 585 N -0.45 0.81 -0.22 3.13 2.07 -1.36 0.15 116.25 120.38 2qhb h VAL 585 Ca 0.00 -0.23 -0.16 0.00 0.82 0.00 0.00 66.70 67.13 2qhb h VAL 585 Cb 0.48 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2qhb h VAL 585 CO 0.00 0.12 -0.51 -0.08 0.02 0.00 0.00 177.57 177.13 2qhb h GLU 586 N 0.67 0.62 0.00 1.57 4.81 -0.83 -1.37 114.58 120.05 2qhb h GLU 586 Ca 0.46 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2qhb h GLU 586 Cb 0.78 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.19 2qhb h GLU 586 CO -0.22 0.98 0.00 0.00 -0.73 0.00 0.00 179.01 179.05 2qhb h ALA 587 N 0.95 1.00 0.11 2.92 0.00 0.12 -2.58 119.26 121.77 2qhb h ALA 587 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.66 2qhb h ALA 587 Cb 1.05 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2qhb h ALA 587 CO 0.10 0.00 -1.26 1.25 0.00 0.00 0.00 179.25 179.34 2qhb h LEU 588 N 0.00 0.35 -0.27 0.00 5.85 -0.55 -2.95 115.31 117.74 2qhb h LEU 588 Ca 0.00 -0.39 -0.21 0.00 0.84 0.00 0.00 57.88 58.12 2qhb h LEU 588 Cb 0.95 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 2qhb h LEU 588 CO 0.00 1.31 -0.85 0.58 -0.34 0.00 0.00 178.44 179.14 2qhb h VAL 589 N 0.06 1.40 -0.34 1.05 2.07 -1.19 -2.39 116.25 116.91 2qhb h VAL 589 Ca -0.13 -2.35 -0.15 0.00 0.82 0.00 0.00 66.70 64.89 2qhb h VAL 589 Cb 1.95 2.30 -0.00 0.00 -1.52 0.00 0.00 31.29 34.02 2qhb h VAL 589 CO 0.18 0.70 -0.37 -0.08 0.02 0.00 0.00 177.57 178.03 2qhb h GLU 590 N 0.24 0.85 0.56 1.57 4.22 -1.56 -2.54 114.58 117.92 2qhb h GLU 590 Ca -0.06 -0.46 -0.03 0.00 0.08 0.00 0.00 59.36 58.90 2qhb h GLU 590 Cb 1.46 0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.74 2qhb h GLU 590 CO 0.15 1.10 -0.27 0.00 -2.18 0.00 0.00 179.01 177.81 2qhb h ALA 591 N 0.74 -0.75 -0.17 2.92 0.00 -1.53 -2.98 119.26 117.49 2qhb h ALA 591 Ca 0.05 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2qhb h ALA 591 Cb 0.96 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2qhb h ALA 591 CO 0.09 -0.91 0.12 0.28 0.00 0.00 0.00 179.25 178.83 2qhb h VAL 592 N -0.79 1.00 0.00 0.00 2.07 -1.48 -0.91 116.25 116.14 2qhb h VAL 592 Ca -0.08 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 2qhb h VAL 592 Cb 0.59 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2qhb h VAL 592 CO 0.13 0.03 -0.14 -0.33 0.02 0.00 0.00 177.57 177.28 2qhb h GLU 593 N 0.16 0.00 0.00 1.57 5.08 -1.30 0.26 114.58 120.35 2qhb h GLU 593 Ca 0.07 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.19 2qhb h GLU 593 Cb 0.09 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 2qhb h GLU 593 CO -0.01 0.14 -1.48 0.72 -1.00 0.00 0.00 179.01 177.38 2qhb n HIS 594 N -3.55 0.64 0.06 4.33 8.25 -0.58 -4.68 115.22 119.69 2qhb n HIS 594 Ca -0.01 0.28 -0.20 0.00 -0.26 0.00 0.00 57.72 57.52 2qhb n HIS 594 Cb 0.28 -0.97 -0.15 0.00 1.12 0.00 0.00 29.99 30.27 2qhb n HIS 594 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2qhb h LEU 595 N -1.00 0.51 0.00 2.41 3.38 -1.26 -3.51 115.31 115.83 2qhb h LEU 595 Ca -0.37 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 56.84 2qhb h LEU 595 Cb 1.24 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2qhb h LEU 595 CO -0.22 1.65 0.00 0.61 0.09 0.00 0.00 178.44 180.57 2qhb n GLY 596 N 1.79 -1.55 1.56 0.83 0.00 0.92 -4.63 105.19 104.12 2qhb n GLY 596 Ca -0.22 -2.06 0.02 0.00 0.00 0.00 0.00 46.02 43.76 2qhb n GLY 596 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qhb n THR 597 N 0.00 2.67 -0.26 2.61 -2.24 -1.26 -4.46 114.28 111.34 2qhb n THR 597 Ca 0.00 -1.75 0.01 0.00 -2.27 0.00 0.00 64.05 60.04 2qhb n THR 597 Cb 0.00 -0.30 0.01 0.00 -2.10 0.00 0.00 70.33 67.93 2qhb n THR 597 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qhb n GLY 598 N -0.14 1.97 2.22 3.38 0.00 -1.26 -4.80 105.19 106.56 2qhb n GLY 598 Ca 0.31 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 46.07 2qhb n GLY 598 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qhb n ARG 599 N -0.45 1.01 0.27 1.61 1.74 -1.26 -4.95 116.66 114.63 2qhb n ARG 599 Ca 0.01 -3.41 0.13 0.00 -0.77 0.00 0.00 57.85 53.80 2qhb n ARG 599 Cb 0.32 -1.60 0.75 0.00 -1.02 0.00 0.00 32.46 30.91 2qhb n ARG 599 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 2qhb h TRP 600 N 3.29 0.00 -0.09 -1.55 4.06 -1.88 -1.45 115.95 118.33 2qhb h TRP 600 Ca 0.09 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.86 2qhb h TRP 600 Cb 0.92 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.08 2qhb h TRP 600 CO 0.45 0.10 -0.71 -0.09 -3.56 0.00 0.00 178.44 174.63 2qhb h ARG 601 N 0.00 0.42 -0.12 0.49 2.43 -1.92 -2.60 114.38 113.07 2qhb h ARG 601 Ca -0.00 -0.34 -0.22 0.00 -0.81 0.00 0.00 59.98 58.61 2qhb h ARG 601 Cb 0.29 0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.91 2qhb h ARG 601 CO 0.01 0.97 -0.81 -0.44 -1.51 0.00 0.00 179.97 178.19 2qhb h ASP 602 N 0.29 0.87 -0.61 -3.80 3.32 -1.82 -1.88 116.42 112.78 2qhb h ASP 602 Ca -0.03 -0.59 0.07 0.00 0.02 0.00 0.00 57.03 56.51 2qhb h ASP 602 Cb 1.29 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 40.52 2qhb h ASP 602 CO 0.12 1.38 0.30 0.58 -1.72 0.00 0.00 179.24 179.90 2qhb h VAL 603 N 0.48 0.89 -0.52 -1.35 2.07 -1.27 0.32 116.25 116.87 2qhb h VAL 603 Ca -0.06 -0.19 -0.12 0.00 0.82 0.00 0.00 66.70 67.16 2qhb h VAL 603 Cb 1.44 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 2qhb h VAL 603 CO 0.16 0.10 -0.13 0.50 0.02 0.00 0.00 177.57 178.22 2qhb h LYS 604 N 0.54 1.00 0.00 1.57 3.64 -1.42 0.11 116.57 122.01 2qhb h LYS 604 Ca 0.29 -0.39 -0.03 0.00 -1.27 0.00 0.00 60.65 59.25 2qhb h LYS 604 Cb 0.26 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2qhb h LYS 604 CO -0.22 1.07 -0.15 0.52 -2.27 0.00 0.00 179.45 178.39 2qhb h MET 605 N 0.87 0.00 0.00 1.90 2.86 -0.37 0.67 114.93 120.85 2qhb h MET 605 Ca 0.13 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.60 2qhb h MET 605 Cb 0.70 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.33 2qhb h MET 605 CO 0.05 0.15 -1.59 -2.13 1.06 0.00 0.00 176.91 174.45 2qhb n ARG 606 N -3.65 0.63 0.00 1.72 0.63 0.10 -4.31 116.66 111.78 2qhb n ARG 606 Ca -0.02 0.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 2qhb n ARG 606 Cb 0.27 -1.74 0.00 0.00 0.45 0.00 0.00 32.46 31.45 2qhb n ARG 606 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2qhb n ALA 607 N -2.42 1.59 -2.10 5.13 0.00 0.35 -4.83 120.51 118.23 2qhb n ALA 607 Ca -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.31 2qhb n ALA 607 Cb 0.84 0.12 0.10 0.00 0.00 0.00 0.00 19.45 20.52 2qhb n ALA 607 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2qhb n PHE 608 N -1.38 0.66 0.28 0.00 3.72 0.93 -4.87 117.46 116.81 2qhb n PHE 608 Ca 0.00 -1.42 0.18 0.00 -0.05 0.00 0.00 57.45 56.16 2qhb n PHE 608 Cb 0.25 -0.23 0.96 0.00 -0.94 0.00 0.00 39.48 39.52 2qhb n PHE 608 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 2qhb h ASP 609 N 1.43 0.00 -0.19 4.37 3.58 -0.06 -1.53 116.42 124.02 2qhb h ASP 609 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2qhb h ASP 609 Cb 1.40 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.45 2qhb h ASP 609 CO 0.19 0.00 0.00 -0.46 -2.88 0.00 0.00 179.24 176.09 2qhb n ASN 610 N -3.55 2.89 -4.29 2.28 2.04 -1.26 -4.82 115.26 108.55 2qhb n ASN 610 Ca -0.01 -2.45 -0.44 0.00 -0.44 0.00 0.00 54.58 51.23 2qhb n ASN 610 Cb 0.18 -0.30 -0.02 0.00 -2.53 0.00 0.00 39.78 37.11 2qhb n ASN 610 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2qhb s ALA 611 N -1.80 4.40 0.66 -2.53 0.00 -0.58 -4.90 121.76 117.02 2qhb s ALA 611 Ca 0.25 -3.65 0.38 0.00 0.00 0.00 0.00 51.96 48.94 2qhb s ALA 611 Cb 0.18 -3.40 2.07 0.00 0.00 0.00 0.00 23.12 21.97 2qhb s ALA 611 CO 0.08 -2.21 2.18 -0.44 0.00 0.00 0.00 175.76 175.37 2qhb h ASP 612 N 6.95 0.00 1.60 0.00 5.19 -1.88 -1.02 116.42 127.25 2qhb h ASP 612 Ca 0.14 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 2qhb h ASP 612 Cb 0.92 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.43 2qhb h ASP 612 CO 0.89 0.00 -0.24 -0.74 -3.12 0.00 0.00 179.24 176.03 2qhb h HIS 613 N 0.00 0.00 -3.19 4.55 2.76 -1.95 -3.42 115.15 113.91 2qhb h HIS 613 Ca 0.01 0.00 -0.74 0.00 -2.20 0.00 0.00 60.37 57.43 2qhb h HIS 613 Cb 0.29 0.00 -0.26 0.00 1.55 0.00 0.00 27.41 28.99 2qhb h HIS 613 CO 0.00 0.00 -0.30 1.03 -1.30 0.00 0.00 177.93 177.36 2qhb s ARG 614 N -3.21 2.78 0.68 5.26 1.81 -0.39 -5.02 118.95 120.87 2qhb s ARG 614 Ca 0.06 -1.71 -0.10 0.00 -1.72 0.00 0.00 55.73 52.26 2qhb s ARG 614 Cb 0.08 -4.14 0.02 0.00 -0.45 0.00 0.00 34.95 30.46 2qhb s ARG 614 CO 0.68 -1.26 1.06 0.95 -0.68 0.00 0.00 175.30 176.05 2qhb s THR 615 N 1.51 3.45 -0.80 0.02 -4.23 -1.26 -4.89 115.64 109.43 2qhb s THR 615 Ca 0.04 0.34 0.14 0.00 -1.18 0.00 0.00 61.69 61.04 2qhb s THR 615 Cb -0.28 -3.45 0.13 0.00 1.34 0.00 0.00 72.50 70.25 2qhb s THR 615 CO 0.02 -0.56 1.44 0.00 -0.54 0.00 0.00 174.62 174.98 2qhb n TYR 616 N -2.92 0.26 0.03 3.99 0.18 -1.26 -0.60 117.16 116.83 2qhb n TYR 616 Ca 0.06 0.11 -0.11 0.00 1.88 0.00 0.00 57.90 59.84 2qhb n TYR 616 Cb 0.57 -0.68 -0.14 0.00 -0.38 0.00 0.00 39.34 38.72 2qhb n TYR 616 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 2qhb h VAL 617 N 0.00 1.17 -0.66 -3.48 2.07 -1.91 -2.71 116.25 110.73 2qhb h VAL 617 Ca 0.00 -2.91 -0.08 0.00 0.82 0.00 0.00 66.70 64.53 2qhb h VAL 617 Cb 0.20 2.64 -0.03 0.00 -1.52 0.00 0.00 31.29 32.59 2qhb h VAL 617 CO 0.00 0.74 0.11 0.44 0.02 0.00 0.00 177.57 178.88 2qhb h ASP 618 N 0.02 1.04 -0.48 0.57 3.32 -1.21 -0.00 116.42 119.69 2qhb h ASP 618 Ca -0.20 -0.26 -0.11 0.00 0.02 0.00 0.00 57.03 56.48 2qhb h ASP 618 Cb 1.95 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 41.20 2qhb h ASP 618 CO 0.12 1.04 -0.11 -0.07 -1.72 0.00 0.00 179.24 178.50 2qhb h LEU 619 N 1.00 0.96 -0.21 1.55 3.38 -1.41 0.55 115.31 121.13 2qhb h LEU 619 Ca 0.20 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2qhb h LEU 619 Cb 0.44 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2qhb h LEU 619 CO 0.01 1.07 0.09 0.50 0.09 0.00 0.00 178.44 180.21 2qhb h LYS 620 N 0.86 0.32 -0.61 1.13 3.64 -1.22 -1.47 116.57 119.22 2qhb h LYS 620 Ca 0.14 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 2qhb h LYS 620 Cb 0.65 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 2qhb h LYS 620 CO 0.05 0.36 0.27 -0.44 -2.27 0.00 0.00 179.45 177.42 2qhb h ASP 621 N 0.20 0.81 0.33 4.20 3.32 -0.61 -2.15 116.42 122.52 2qhb h ASP 621 Ca 0.07 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 2qhb h ASP 621 Cb 0.16 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2qhb h ASP 621 CO -0.01 0.73 -0.23 0.50 -1.72 0.00 0.00 179.24 178.51 2qhb h LYS 622 N 0.83 0.00 0.00 3.56 1.63 0.30 -1.36 116.57 121.53 2qhb h LYS 622 Ca 0.21 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.97 2qhb h LYS 622 Cb 0.15 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.78 2qhb h LYS 622 CO -0.02 0.23 -0.16 2.35 -3.45 0.00 0.00 179.45 178.40 2qhb h TRP 623 N 0.00 0.00 -0.06 1.91 2.91 -0.88 -2.50 115.95 117.33 2qhb h TRP 623 Ca -0.00 0.00 -0.22 0.00 1.13 0.00 0.00 58.89 59.80 2qhb h TRP 623 Cb 0.46 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.12 2qhb h TRP 623 CO 0.00 0.16 -0.85 -0.22 -1.03 0.00 0.00 178.44 176.50 2qhb h LYS 624 N 0.00 0.53 0.00 2.65 3.64 -0.62 -3.06 116.57 119.71 2qhb h LYS 624 Ca -0.00 -0.49 -0.19 0.00 -1.27 0.00 0.00 60.65 58.70 2qhb h LYS 624 Cb 1.06 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 2qhb h LYS 624 CO 0.02 1.12 -0.92 1.79 -2.27 0.00 0.00 179.45 179.19 2qhb h THR 625 N 0.33 1.40 0.00 1.00 1.35 -1.42 -3.21 112.91 112.37 2qhb h THR 625 Ca -0.06 -3.02 -0.03 0.00 -0.55 0.00 0.00 66.41 62.74 2qhb h THR 625 Cb 1.46 2.69 -0.00 0.00 -1.73 0.00 0.00 68.15 70.56 2qhb h THR 625 CO 0.15 0.80 -0.16 -0.07 -0.25 0.00 0.00 175.52 175.99 2qhb h LEU 626 N 0.00 0.00 -0.07 3.87 3.38 -1.47 1.55 115.31 122.57 2qhb h LEU 626 Ca -0.03 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 2qhb h LEU 626 Cb 1.68 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.40 2qhb h LEU 626 CO 0.11 0.16 -0.76 0.58 0.09 0.00 0.00 178.44 178.62 2qhb h VAL 627 N 0.00 1.32 0.13 1.22 2.07 -1.54 -2.28 116.25 117.18 2qhb h VAL 627 Ca -0.00 -2.81 -0.26 0.00 0.82 0.00 0.00 66.70 64.46 2qhb h VAL 627 Cb 0.52 2.61 0.01 0.00 -1.52 0.00 0.00 31.29 32.91 2qhb h VAL 627 CO 0.02 0.74 -1.26 -0.74 0.02 0.00 0.00 177.57 176.35 2qhb h HIS 628 N 0.00 0.51 -0.68 1.57 -0.00 -1.30 -2.96 115.15 112.29 2qhb h HIS 628 Ca -0.01 -0.37 0.14 0.00 -0.00 0.00 0.00 60.37 60.13 2qhb h HIS 628 Cb 1.55 -0.02 -0.10 0.00 -0.00 0.00 0.00 27.41 28.84 2qhb h HIS 628 CO 0.00 1.49 0.16 1.15 -0.00 0.00 0.00 177.93 180.73 2qhb h THR 629 N -0.29 0.58 0.00 6.26 2.02 0.22 0.18 112.91 121.87 2qhb h THR 629 Ca -0.26 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 66.83 2qhb h THR 629 Cb 1.76 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 2qhb h THR 629 CO 0.10 0.05 0.00 0.00 0.37 0.00 0.00 175.52 176.04 2qhb n ALA 630 N -2.63 2.25 1.10 6.16 0.00 -0.86 -3.37 120.51 123.16 2qhb n ALA 630 Ca 0.12 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.59 2qhb n ALA 630 Cb 0.39 -1.44 0.17 0.00 0.00 0.00 0.00 19.45 18.56 2qhb n ALA 630 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2qhb n SER 631 N -1.53 2.32 -4.49 0.00 7.64 0.57 -4.96 113.62 113.17 2qhb n SER 631 Ca 0.07 -1.69 -0.24 0.00 1.01 0.00 0.00 58.87 58.01 2qhb n SER 631 Cb 0.32 0.14 -0.10 0.00 -1.01 0.00 0.00 64.21 63.56 2qhb n SER 631 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2qhb s ILE 632 N -2.17 1.92 0.56 0.44 -4.36 -0.86 -5.05 121.20 111.69 2qhb s ILE 632 Ca 0.27 -2.15 -0.21 0.00 -0.26 0.00 0.00 60.65 58.30 2qhb s ILE 632 Cb 0.20 -2.59 -0.04 0.00 1.25 0.00 0.00 42.46 41.27 2qhb s ILE 632 CO 0.40 -0.22 1.34 0.00 0.24 0.00 0.00 174.94 176.69 2qhb s ALA 633 N -2.82 2.75 0.31 2.27 0.00 -1.26 -4.91 121.76 118.09 2qhb s ALA 633 Ca 0.32 1.29 0.02 0.00 0.00 0.00 0.00 51.96 53.59 2qhb s ALA 633 Cb 0.04 -3.56 0.58 0.00 0.00 0.00 0.00 23.12 20.18 2qhb s ALA 633 CO 0.15 -1.38 1.89 -1.35 0.00 0.00 0.00 175.76 175.07 2qhb h PRO 634 N 1.31 0.94 0.00 0.00 0.11 -1.96 0.57 132.00 132.97 2qhb h PRO 634 Ca -0.51 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.54 2qhb h PRO 634 Cb 1.30 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2qhb h PRO 634 CO 0.57 0.62 0.00 0.00 -0.21 0.00 0.00 178.00 178.98 2qhb n GLN 635 N -4.52 0.17 0.06 1.05 10.64 -1.26 -2.02 117.38 121.50 2qhb n GLN 635 Ca 0.15 0.46 0.01 0.00 -1.83 0.00 0.00 57.00 55.79 2qhb n GLN 635 Cb 0.27 -1.86 -0.06 0.00 -0.86 0.00 0.00 30.24 27.73 2qhb n GLN 635 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 2qhb h GLN 636 N 0.00 0.00 -6.93 2.61 4.20 -1.23 -3.47 115.11 110.29 2qhb h GLN 636 Ca 0.00 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.20 2qhb h GLN 636 Cb 0.28 0.00 0.06 0.00 0.30 0.00 0.00 27.48 28.11 2qhb h GLN 636 CO 0.00 0.32 0.53 1.03 -0.67 0.00 0.00 178.83 180.04 2qhb s ARG 637 N -2.95 4.08 0.37 1.46 0.52 -0.85 -5.04 118.95 116.54 2qhb s ARG 637 Ca -0.01 1.92 0.08 0.00 -0.52 0.00 0.00 55.73 57.20 2qhb s ARG 637 Cb 0.08 -2.74 -0.05 0.00 0.52 0.00 0.00 34.95 32.76 2qhb s ARG 637 CO 0.80 -0.32 0.08 1.03 0.02 0.00 0.00 175.30 176.91 2qhb s ARG 638 N -2.21 2.15 0.55 3.54 3.00 -1.26 -5.05 118.95 119.67 2qhb s ARG 638 Ca 0.56 -1.79 0.00 0.00 0.00 0.00 0.00 55.73 54.50 2qhb s ARG 638 Cb -0.33 -1.95 0.00 0.00 0.00 0.00 0.00 34.95 32.67 2qhb s ARG 638 CO 0.42 0.03 0.00 0.41 0.00 0.00 0.00 175.30 176.16 2qhb n GLY 639 N -1.07 -1.94 3.67 -3.53 0.00 -1.26 -4.75 105.19 96.31 2qhb n GLY 639 Ca -0.03 -1.32 -0.47 0.00 0.00 0.00 0.00 46.02 44.19 2qhb n GLY 639 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2qhb n GLU 640 N -2.02 2.12 -1.97 1.61 0.00 -1.26 -4.89 120.64 114.22 2qhb n GLU 640 Ca 0.00 0.77 -0.42 0.00 0.00 0.00 0.00 57.16 57.51 2qhb n GLU 640 Cb 0.21 -2.57 -0.03 0.00 0.00 0.00 0.00 31.44 29.06 2qhb n GLU 640 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 2qhb s PRO 641 N 2.30 4.23 -0.18 3.44 0.04 -1.26 -5.00 135.00 138.57 2qhb s PRO 641 Ca 0.85 2.32 -0.26 0.00 0.04 0.00 0.00 61.00 63.95 2qhb s PRO 641 Cb -0.70 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 30.67 2qhb s PRO 641 CO 0.44 -0.56 0.86 0.08 0.04 0.00 0.00 177.00 177.86 2qhb s VAL 642 N 1.00 4.85 0.22 -0.36 1.01 -1.26 -4.99 120.40 120.87 2qhb s VAL 642 Ca 0.68 1.67 -0.30 0.00 0.00 0.00 0.00 61.98 64.04 2qhb s VAL 642 Cb -0.43 -4.16 -0.16 0.00 0.00 0.00 0.00 36.38 31.64 2qhb s VAL 642 CO 0.32 -0.00 0.90 -2.65 0.00 0.00 0.00 175.10 173.67 2qhb n PRO 643 N 5.41 0.83 0.31 2.72 -0.02 -1.26 -4.80 135.00 138.19 2qhb n PRO 643 Ca 0.05 0.29 0.18 0.00 -2.02 0.00 0.00 63.50 62.01 2qhb n PRO 643 Cb 0.48 -1.59 1.04 0.00 -0.02 0.00 0.00 33.50 33.41 2qhb n PRO 643 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2qhb h GLN 644 N 2.08 0.00 0.00 -0.52 5.75 -2.00 -1.42 115.11 119.00 2qhb h GLN 644 Ca -0.38 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.08 2qhb h GLN 644 Cb 1.38 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.92 2qhb h GLN 644 CO 0.62 0.00 -0.19 -0.44 -2.65 0.00 0.00 178.83 176.17 2qhb h ASP 645 N 0.00 0.00 0.36 -0.69 3.32 -2.00 -1.38 116.42 116.02 2qhb h ASP 645 Ca 0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 2qhb h ASP 645 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2qhb h ASP 645 CO -0.00 0.19 -1.70 -0.07 -1.72 0.00 0.00 179.24 175.95 2qhb h LEU 646 N 0.00 0.35 -0.53 1.55 3.38 -1.60 -3.12 115.31 115.34 2qhb h LEU 646 Ca -0.00 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2qhb h LEU 646 Cb 0.65 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2qhb h LEU 646 CO 0.03 1.50 0.35 -0.07 0.09 0.00 0.00 178.44 180.34 2qhb h LEU 647 N 0.06 0.61 -0.08 1.67 3.38 -1.34 0.69 115.31 120.30 2qhb h LEU 647 Ca -0.30 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.69 2qhb h LEU 647 Cb 2.03 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 42.57 2qhb h LEU 647 CO 0.13 0.45 -0.26 0.44 0.09 0.00 0.00 178.44 179.29 2qhb h ASP 648 N 0.72 -0.79 0.15 -0.43 3.32 -1.34 -1.49 116.42 116.55 2qhb h ASP 648 Ca 0.19 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.34 2qhb h ASP 648 Cb -0.07 0.34 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 2qhb h ASP 648 CO -0.04 -0.32 -0.11 0.03 -1.72 0.00 0.00 179.24 177.08 2qhb h ARG 649 N -0.36 0.00 0.39 3.56 3.08 -1.38 -0.59 114.38 119.08 2qhb h ARG 649 Ca 0.09 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 2qhb h ARG 649 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2qhb h ARG 649 CO -0.29 0.11 -0.19 0.28 -1.07 0.00 0.00 179.97 178.82 2qhb h VAL 650 N 0.00 0.60 0.00 2.04 2.07 0.11 -0.41 116.25 120.66 2qhb h VAL 650 Ca -0.00 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 2qhb h VAL 650 Cb 0.22 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2qhb h VAL 650 CO 0.01 0.07 -0.29 -0.07 0.02 0.00 0.00 177.57 177.32 2qhb h LEU 651 N -0.76 0.00 -0.26 2.57 3.38 -1.04 0.49 115.31 119.69 2qhb h LEU 651 Ca -0.05 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.71 2qhb h LEU 651 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2qhb h LEU 651 CO 0.09 0.29 -0.85 0.00 0.09 0.00 0.00 178.44 178.05 2qhb h ALA 652 N 1.71 0.44 0.04 1.53 0.00 -1.04 -1.54 119.26 120.40 2qhb h ALA 652 Ca -0.00 -0.66 -0.24 0.00 0.00 0.00 0.00 54.91 54.01 2qhb h ALA 652 Cb 0.63 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2qhb h ALA 652 CO 0.04 0.78 -1.03 0.00 0.00 0.00 0.00 179.25 179.04 2qhb h ALA 653 N 0.79 0.30 -0.30 0.00 0.00 -0.80 -2.71 119.26 116.54 2qhb h ALA 653 Ca -0.06 -0.76 -0.05 0.00 0.00 0.00 0.00 54.91 54.04 2qhb h ALA 653 Cb 1.46 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 2qhb h ALA 653 CO 0.15 0.87 -0.02 1.25 0.00 0.00 0.00 179.25 181.50 2qhb h HIS 654 N 0.17 0.47 0.00 0.00 6.17 -0.85 -0.23 115.15 120.88 2qhb h HIS 654 Ca -0.09 -0.05 -0.19 0.00 0.71 0.00 0.00 60.37 60.75 2qhb h HIS 654 Cb 1.69 -0.14 -0.03 0.00 2.52 0.00 0.00 27.41 31.46 2qhb h HIS 654 CO 0.06 0.49 -0.89 0.00 0.71 0.00 0.00 177.93 178.30 2qhb h ALA 655 N 1.54 0.52 0.12 5.26 0.00 -1.24 -3.16 119.26 122.30 2qhb h ALA 655 Ca 0.10 -0.81 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 2qhb h ALA 655 Cb 0.33 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2qhb h ALA 655 CO 0.01 1.11 -0.06 -0.92 0.00 0.00 0.00 179.25 179.40 2qhb h TYR 656 N 0.00 -0.15 0.00 0.00 3.20 -1.12 -3.22 116.97 115.68 2qhb h TYR 656 Ca -0.01 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2qhb h TYR 656 Cb 1.59 0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.91 2qhb h TYR 656 CO 0.00 -0.09 0.00 0.91 -1.64 0.00 0.00 178.16 177.34 2qhb n TRP 657 N -4.33 0.00 -1.30 -3.82 7.02 -0.14 -4.45 117.44 110.43 2qhb n TRP 657 Ca -0.02 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.07 2qhb n TRP 657 Cb 0.06 -0.03 -0.03 0.00 -2.42 0.00 0.00 31.31 28.89 2qhb n TRP 657 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2qhb n SER 658 N 0.29 3.90 0.00 -0.99 2.88 -1.19 -4.85 113.62 113.66 2qhb n SER 658 Ca 0.00 -2.67 0.00 0.00 -1.33 0.00 0.00 58.87 54.87 2qhb n SER 658 Cb 0.07 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.20 2qhb n SER 658 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48