#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qhb s ILE 576 N 0.00 2.92 0.87 0.55 -4.36 -1.26 -5.02 121.20 114.91 2qhb s ILE 576 Ca 0.00 0.51 -0.15 0.00 -0.26 0.00 0.00 60.65 60.76 2qhb s ILE 576 Cb 0.00 -3.12 0.23 0.00 1.25 0.00 0.00 42.46 40.82 2qhb s ILE 576 CO 0.00 -0.18 0.51 -1.14 0.24 0.00 0.00 174.94 174.37 2qhb n ARG 577 N -1.89 -3.69 0.00 0.37 0.63 -1.26 -5.03 116.66 105.79 2qhb n ARG 577 Ca 0.12 -0.86 0.00 0.00 -0.92 0.00 0.00 57.85 56.19 2qhb n ARG 577 Cb 0.51 -1.13 0.00 0.00 0.45 0.00 0.00 32.46 32.29 2qhb n ARG 577 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2qhb n ARG 578 N -4.23 0.00 -1.55 -0.14 0.63 -1.26 -5.15 116.66 104.96 2qhb n ARG 578 Ca 0.08 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.60 2qhb n ARG 578 Cb 0.35 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.28 2qhb n ARG 578 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 2qhb n PRO 579 N 0.00 1.02 -2.55 -0.14 -0.02 -1.26 -4.91 135.00 127.15 2qhb n PRO 579 Ca 0.00 0.37 -0.41 0.00 -2.02 0.00 0.00 63.50 61.44 2qhb n PRO 579 Cb 0.00 -1.85 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 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 -1.36 3.64 0.75 6.00 0.40 -1.26 -5.04 117.98 121.11 2qhb s PHE 580 Ca 0.64 1.65 -0.08 0.00 -0.60 0.00 0.00 56.93 58.55 2qhb s PHE 580 Cb -0.57 -3.23 0.09 0.00 0.51 0.00 0.00 43.02 39.82 2qhb s PHE 580 CO 0.56 -0.44 1.07 -1.54 0.70 0.00 0.00 175.22 175.57 2qhb s SER 581 N -0.27 4.50 0.20 1.36 1.04 -1.26 -4.91 113.70 114.35 2qhb s SER 581 Ca 0.48 0.35 -0.08 0.00 0.48 0.00 0.00 55.95 57.17 2qhb s SER 581 Cb -0.29 -0.87 0.12 0.00 0.10 0.00 0.00 66.02 65.08 2qhb s SER 581 CO 0.35 -1.81 1.72 0.58 0.98 0.00 0.00 173.24 175.06 2qhb h VAL 582 N -0.77 1.26 -0.69 5.02 2.07 -1.96 -2.15 116.25 119.04 2qhb h VAL 582 Ca -0.44 -0.96 -0.05 0.00 0.82 0.00 0.00 66.70 66.07 2qhb h VAL 582 Cb 1.30 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 2qhb h VAL 582 CO 0.55 0.37 0.25 0.00 0.02 0.00 0.00 177.57 178.76 2qhb h ALA 583 N 1.09 0.89 -0.44 1.67 0.00 -1.98 0.11 119.26 120.60 2qhb h ALA 583 Ca 0.23 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2qhb h ALA 583 Cb 0.36 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2qhb h ALA 583 CO 0.00 0.54 0.28 0.93 0.00 0.00 0.00 179.25 181.00 2qhb h GLU 584 N 0.99 0.56 -0.06 0.00 5.08 -1.89 0.33 114.58 119.58 2qhb h GLU 584 Ca 0.23 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.57 2qhb h GLU 584 Cb 0.24 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2qhb h GLU 584 CO -0.01 0.37 -0.04 0.28 -1.00 0.00 0.00 179.01 178.60 2qhb h VAL 585 N 0.57 0.87 -0.79 3.13 2.07 -0.94 -0.15 116.25 121.00 2qhb h VAL 585 Ca 0.17 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.84 2qhb h VAL 585 Cb -0.04 0.87 -0.10 0.00 -1.52 0.00 0.00 31.29 30.50 2qhb h VAL 585 CO -0.05 0.00 0.33 -0.08 0.02 0.00 0.00 177.57 177.79 2qhb h GLU 586 N -0.05 0.45 -0.08 1.57 4.57 -0.29 0.35 114.58 121.09 2qhb h GLU 586 Ca 0.04 -0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 58.08 2qhb h GLU 586 Cb 0.11 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2qhb h GLU 586 CO -0.09 0.30 -0.47 0.00 -1.18 0.00 0.00 179.01 177.57 2qhb h ALA 587 N 1.58 1.07 0.02 2.92 0.00 0.18 -1.82 119.26 123.20 2qhb h ALA 587 Ca 0.45 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qhb h ALA 587 Cb 0.70 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2qhb h ALA 587 CO -0.42 0.62 -0.01 1.25 0.00 0.00 0.00 179.25 180.69 2qhb h LEU 588 N 0.16 -0.02 -0.42 0.00 5.85 0.87 -2.26 115.31 119.50 2qhb h LEU 588 Ca 0.01 -0.60 0.05 0.00 0.84 0.00 0.00 57.88 58.18 2qhb h LEU 588 Cb 0.89 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 2qhb h LEU 588 CO 0.07 0.60 0.16 0.58 -0.34 0.00 0.00 178.44 179.51 2qhb h VAL 589 N -0.65 0.89 -0.26 1.05 2.07 -0.41 -0.47 116.25 118.48 2qhb h VAL 589 Ca -0.00 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.42 2qhb h VAL 589 Cb 0.62 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 2qhb h VAL 589 CO 0.00 0.06 0.14 -0.08 0.02 0.00 0.00 177.57 177.71 2qhb h GLU 590 N 0.33 0.28 -0.25 1.57 4.22 -1.38 -1.84 114.58 117.52 2qhb h GLU 590 Ca 0.19 -0.02 0.05 0.00 0.08 0.00 0.00 59.36 59.66 2qhb h GLU 590 Cb 0.16 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 2qhb h GLU 590 CO -0.18 0.18 -0.06 0.00 -2.18 0.00 0.00 179.01 176.77 2qhb h ALA 591 N 1.13 0.16 -0.11 2.92 0.00 -0.76 -2.63 119.26 119.97 2qhb h ALA 591 Ca 0.11 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2qhb h ALA 591 Cb 0.02 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2qhb h ALA 591 CO -0.07 -0.47 -0.32 0.28 0.00 0.00 0.00 179.25 178.68 2qhb h VAL 592 N -0.00 1.26 0.00 0.00 2.07 -0.91 -1.69 116.25 116.98 2qhb h VAL 592 Ca 0.12 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 2qhb h VAL 592 Cb 0.18 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2qhb h VAL 592 CO -0.25 0.37 -0.03 -0.33 0.02 0.00 0.00 177.57 177.36 2qhb h GLU 593 N 0.18 0.00 0.00 1.57 5.08 -0.96 0.86 114.58 121.31 2qhb h GLU 593 Ca 0.02 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.10 2qhb h GLU 593 Cb 0.65 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.85 2qhb h GLU 593 CO 0.05 0.03 -2.28 0.72 -1.00 0.00 0.00 179.01 176.52 2qhb n HIS 594 N -3.29 0.00 -0.06 4.33 8.25 -0.84 -4.73 115.22 118.89 2qhb n HIS 594 Ca -0.02 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.37 2qhb n HIS 594 Cb 0.16 -0.87 -0.07 0.00 1.12 0.00 0.00 29.99 30.33 2qhb n HIS 594 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2qhb n LEU 595 N -2.63 1.67 0.00 2.41 4.77 -0.70 -5.13 117.00 117.39 2qhb n LEU 595 Ca -0.26 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 2qhb n LEU 595 Cb 1.02 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 2qhb n LEU 595 CO 0.43 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 2qhb n GLY 596 N 2.67 -0.98 1.02 -0.72 0.00 0.28 -4.70 105.19 102.76 2qhb n GLY 596 Ca -0.20 -2.13 0.10 0.00 0.00 0.00 0.00 46.02 43.80 2qhb n GLY 596 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qhb n THR 597 N 0.00 0.58 -2.20 2.61 -1.04 -1.26 -4.56 114.28 108.40 2qhb n THR 597 Ca 0.00 -0.79 -0.22 0.00 -2.04 0.00 0.00 64.05 61.00 2qhb n THR 597 Cb 0.00 0.89 0.02 0.00 -1.82 0.00 0.00 70.33 69.42 2qhb n THR 597 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qhb n GLY 598 N 1.27 5.75 2.69 3.41 0.00 -1.26 -4.74 105.19 112.31 2qhb n GLY 598 Ca 0.17 -2.50 -0.06 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.64 1.23 0.22 1.61 1.74 -1.26 -4.98 116.66 114.58 2qhb n ARG 599 Ca 0.39 -1.78 0.18 0.00 -0.77 0.00 0.00 57.85 55.86 2qhb n ARG 599 Cb 0.89 -0.02 0.86 0.00 -1.02 0.00 0.00 32.46 33.17 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 1.87 0.00 -0.16 -1.55 4.06 -1.88 0.26 115.95 118.55 2qhb h TRP 600 Ca -0.30 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 60.48 2qhb h TRP 600 Cb 1.30 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.45 2qhb h TRP 600 CO 0.11 0.00 -0.61 -0.09 -3.56 0.00 0.00 178.44 174.29 2qhb h ARG 601 N 0.00 0.54 0.02 0.49 1.12 -1.94 0.09 114.38 114.71 2qhb h ARG 601 Ca 0.08 -0.37 -0.22 0.00 -1.11 0.00 0.00 59.98 58.35 2qhb h ARG 601 Cb 0.55 0.06 -0.00 0.00 -0.01 0.00 0.00 29.97 30.56 2qhb h ARG 601 CO -0.00 0.99 -0.96 -0.44 -3.11 0.00 0.00 179.97 176.44 2qhb h ASP 602 N 0.40 0.41 -0.35 -3.80 3.32 -0.97 -1.92 116.42 113.50 2qhb h ASP 602 Ca -0.01 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 56.68 2qhb h ASP 602 Cb 1.17 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 2qhb h ASP 602 CO 0.11 1.16 0.14 0.58 -1.72 0.00 0.00 179.24 179.51 2qhb h VAL 603 N 0.16 1.19 -0.80 -1.35 2.07 -0.98 0.25 116.25 116.79 2qhb h VAL 603 Ca -0.07 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 66.89 2qhb h VAL 603 Cb 1.61 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 32.26 2qhb h VAL 603 CO 0.16 0.20 0.51 0.50 0.02 0.00 0.00 177.57 178.96 2qhb h LYS 604 N 0.42 0.97 -0.30 1.57 3.11 -0.96 0.14 116.57 121.52 2qhb h LYS 604 Ca 0.12 -0.06 -0.18 0.00 -2.81 0.00 0.00 60.65 57.72 2qhb h LYS 604 Cb 0.19 -0.22 -0.00 0.00 -1.00 0.00 0.00 32.23 31.20 2qhb h LYS 604 CO -0.01 0.64 -0.51 1.98 -2.81 0.00 0.00 179.45 178.75 2qhb h MET 605 N 1.00 0.86 -0.22 1.90 4.05 -0.96 0.16 114.93 121.72 2qhb h MET 605 Ca 0.32 -0.52 -0.18 0.00 -0.28 0.00 0.00 59.70 59.04 2qhb h MET 605 Cb -0.00 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 30.85 2qhb h MET 605 CO -0.11 1.16 -0.58 -0.09 0.23 0.00 0.00 176.91 177.53 2qhb h ARG 606 N 0.67 0.70 0.00 0.39 2.43 -0.06 -3.34 114.38 115.18 2qhb h ARG 606 Ca 0.03 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 2qhb h ARG 606 Cb 1.10 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 2qhb h ARG 606 CO 0.11 1.08 0.00 0.00 -1.51 0.00 0.00 179.97 179.66 2qhb n ALA 607 N -2.55 1.64 -2.24 2.80 0.00 0.46 -4.79 120.51 115.84 2qhb n ALA 607 Ca -0.04 -0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.33 2qhb n ALA 607 Cb 0.63 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.09 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 -0.58 0.00 0.33 0.00 3.72 -0.41 -4.92 117.46 115.59 2qhb n PHE 608 Ca 0.00 -0.27 0.18 0.00 -0.05 0.00 0.00 57.45 57.31 2qhb n PHE 608 Cb 0.01 -0.10 0.95 0.00 -0.94 0.00 0.00 39.48 39.41 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 0.50 0.00 0.00 4.37 3.58 -0.86 -1.39 116.42 122.62 2qhb h ASP 609 Ca -0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.34 2qhb h ASP 609 Cb 1.64 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.69 2qhb h ASP 609 CO 0.05 0.00 -0.02 -0.46 -2.88 0.00 0.00 179.24 175.92 2qhb n ASN 610 N -3.01 1.85 -4.27 2.28 6.94 -1.26 -4.84 115.26 112.95 2qhb n ASN 610 Ca -0.02 -2.27 -0.42 0.00 -0.02 0.00 0.00 54.58 51.84 2qhb n ASN 610 Cb 0.28 -0.15 -0.02 0.00 -2.36 0.00 0.00 39.78 37.53 2qhb n ASN 610 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qhb s ALA 611 N -1.48 4.53 0.54 -2.53 0.00 -0.52 -4.91 121.76 117.39 2qhb s ALA 611 Ca 0.10 -3.80 0.29 0.00 0.00 0.00 0.00 51.96 48.55 2qhb s ALA 611 Cb 0.09 -3.33 1.45 0.00 0.00 0.00 0.00 23.12 21.33 2qhb s ALA 611 CO 0.01 -2.19 1.93 -0.44 0.00 0.00 0.00 175.76 175.08 2qhb h ASP 612 N 6.55 0.00 1.28 0.00 5.19 -1.89 -0.85 116.42 126.71 2qhb h ASP 612 Ca 0.16 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 2qhb h ASP 612 Cb 0.87 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.38 2qhb h ASP 612 CO 0.94 0.00 0.00 1.12 -3.12 0.00 0.00 179.24 178.18 2qhb h HIS 613 N 0.00 0.00 -3.54 4.55 2.07 -1.95 -3.41 115.15 112.88 2qhb h HIS 613 Ca 0.33 0.00 -0.71 0.00 -2.85 0.00 0.00 60.37 57.13 2qhb h HIS 613 Cb 1.35 0.00 -0.25 0.00 2.57 0.00 0.00 27.41 31.08 2qhb h HIS 613 CO 0.00 0.00 -0.49 1.03 -3.07 0.00 0.00 177.93 175.40 2qhb s ARG 614 N -3.26 2.78 0.30 5.12 1.81 -0.33 -5.03 118.95 120.35 2qhb s ARG 614 Ca 0.07 -1.19 0.03 0.00 -1.72 0.00 0.00 55.73 52.92 2qhb s ARG 614 Cb 0.10 -3.77 -0.03 0.00 -0.45 0.00 0.00 34.95 30.80 2qhb s ARG 614 CO 0.54 -0.78 0.47 0.95 -0.68 0.00 0.00 175.30 175.80 2qhb s THR 615 N 1.53 5.08 0.61 0.02 -4.23 -1.26 -4.87 115.64 112.52 2qhb s THR 615 Ca 0.02 -0.72 0.30 0.00 -1.18 0.00 0.00 61.69 60.11 2qhb s THR 615 Cb -0.20 -3.83 0.36 0.00 1.34 0.00 0.00 72.50 70.17 2qhb s THR 615 CO 0.06 -0.43 2.01 0.10 -0.54 0.00 0.00 174.62 175.82 2qhb h TYR 616 N 0.93 0.00 -0.07 3.99 -0.00 -1.96 0.32 116.97 120.18 2qhb h TYR 616 Ca -0.50 0.00 -0.16 0.00 -0.00 0.00 0.00 58.73 58.06 2qhb h TYR 616 Cb 1.23 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.95 2qhb h TYR 616 CO 0.48 0.00 -0.67 0.28 -0.00 0.00 0.00 178.16 178.25 2qhb h VAL 617 N 0.00 1.40 -0.17 -0.90 2.07 -1.93 -1.91 116.25 114.80 2qhb h VAL 617 Ca 0.10 -2.10 -0.12 0.00 0.82 0.00 0.00 66.70 65.40 2qhb h VAL 617 Cb 0.71 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 2qhb h VAL 617 CO -0.00 0.62 -0.42 0.44 0.02 0.00 0.00 177.57 178.23 2qhb h ASP 618 N 0.20 0.42 -0.18 0.57 3.32 -0.76 -1.07 116.42 118.93 2qhb h ASP 618 Ca -0.02 -0.19 -0.19 0.00 0.02 0.00 0.00 57.03 56.66 2qhb h ASP 618 Cb 1.21 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.64 2qhb h ASP 618 CO 0.11 0.80 -0.62 -0.07 -1.72 0.00 0.00 179.24 177.74 2qhb h LEU 619 N 0.33 0.89 -0.58 1.55 3.38 -1.38 0.98 115.31 120.48 2qhb h LEU 619 Ca 0.03 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2qhb h LEU 619 Cb 0.88 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2qhb h LEU 619 CO 0.07 1.30 0.38 0.50 0.09 0.00 0.00 178.44 180.77 2qhb h LYS 620 N 0.58 0.77 -0.65 1.13 3.11 -1.08 -1.38 116.57 119.06 2qhb h LYS 620 Ca -0.01 -0.05 -0.08 0.00 -2.81 0.00 0.00 60.65 57.70 2qhb h LYS 620 Cb 1.22 -0.17 -0.03 0.00 -1.00 0.00 0.00 32.23 32.25 2qhb h LYS 620 CO 0.13 0.52 0.07 -0.44 -2.81 0.00 0.00 179.45 176.93 2qhb h ASP 621 N 0.78 1.05 0.70 4.20 3.32 -0.94 -2.45 116.42 123.08 2qhb h ASP 621 Ca 0.21 -0.27 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 2qhb h ASP 621 Cb -0.07 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.19 2qhb h ASP 621 CO -0.04 1.06 -0.19 0.50 -1.72 0.00 0.00 179.24 178.85 2qhb h LYS 622 N 1.01 0.00 -0.01 3.56 1.63 -0.33 -1.43 116.57 121.00 2qhb h LYS 622 Ca 0.19 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.80 2qhb h LYS 622 Cb 0.48 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 2qhb h LYS 622 CO 0.02 0.19 -0.85 2.35 -3.45 0.00 0.00 179.45 177.70 2qhb h TRP 623 N 0.00 0.41 -0.50 1.91 2.91 -0.97 -1.29 115.95 118.41 2qhb h TRP 623 Ca -0.00 -0.21 -0.12 0.00 1.13 0.00 0.00 58.89 59.68 2qhb h TRP 623 Cb 0.59 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 29.18 2qhb h TRP 623 CO 0.00 1.01 -0.17 -0.22 -1.03 0.00 0.00 178.44 178.03 2qhb h LYS 624 N 0.16 0.99 0.01 2.65 3.64 -0.88 -2.20 116.57 120.94 2qhb h LYS 624 Ca -0.05 -0.40 -0.25 0.00 -1.27 0.00 0.00 60.65 58.68 2qhb h LYS 624 Cb 1.47 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 33.26 2qhb h LYS 624 CO 0.14 1.08 -1.00 1.79 -2.27 0.00 0.00 179.45 179.18 2qhb h THR 625 N 0.85 1.35 -0.83 1.00 1.35 -1.25 -3.05 112.91 112.32 2qhb h THR 625 Ca 0.12 -2.37 0.00 0.00 -0.55 0.00 0.00 66.41 63.61 2qhb h THR 625 Cb 0.74 2.42 -0.04 0.00 -1.73 0.00 0.00 68.15 69.54 2qhb h THR 625 CO 0.06 0.72 0.54 -0.07 -0.25 0.00 0.00 175.52 176.52 2qhb h LEU 626 N 0.30 0.97 -0.64 3.87 3.38 -1.20 0.92 115.31 122.91 2qhb h LEU 626 Ca -0.11 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 2qhb h LEU 626 Cb 1.65 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.13 2qhb h LEU 626 CO 0.18 0.72 0.04 0.58 0.09 0.00 0.00 178.44 180.04 2qhb h VAL 627 N 1.14 1.27 -0.15 1.22 2.07 -1.42 -0.89 116.25 119.49 2qhb h VAL 627 Ca 0.30 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.65 2qhb h VAL 627 Cb -0.11 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2qhb h VAL 627 CO -0.06 0.41 -0.08 -0.74 0.02 0.00 0.00 177.57 177.12 2qhb h HIS 628 N 1.01 0.37 -0.96 1.57 -0.00 -1.13 -2.81 115.15 113.20 2qhb h HIS 628 Ca 0.18 -0.09 0.16 0.00 -0.00 0.00 0.00 60.37 60.62 2qhb h HIS 628 Cb 0.53 -0.09 -0.10 0.00 -0.00 0.00 0.00 27.41 27.75 2qhb h HIS 628 CO 0.04 0.65 0.56 1.15 -0.00 0.00 0.00 177.93 180.33 2qhb h THR 629 N -0.01 0.75 0.00 6.26 2.02 0.11 0.31 112.91 122.35 2qhb h THR 629 Ca 0.03 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.95 2qhb h THR 629 Cb 0.56 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 2qhb h THR 629 CO 0.02 0.14 0.00 0.00 0.37 0.00 0.00 175.52 176.05 2qhb n ALA 630 N -2.36 2.01 1.04 6.16 0.00 -0.36 -3.11 120.51 123.89 2qhb n ALA 630 Ca 0.21 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.73 2qhb n ALA 630 Cb 0.49 -1.40 0.05 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.88 1.59 -4.77 0.00 7.64 0.11 -4.95 113.62 111.36 2qhb n SER 631 Ca 0.05 -1.25 -0.22 0.00 1.01 0.00 0.00 58.87 58.45 2qhb n SER 631 Cb 0.30 0.51 -0.05 0.00 -1.01 0.00 0.00 64.21 63.96 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 -2.61 3.11 0.50 0.44 -4.36 -0.99 -5.09 121.20 112.19 2qhb s ILE 632 Ca 0.17 -1.59 -0.21 0.00 -0.26 0.00 0.00 60.65 58.76 2qhb s ILE 632 Cb 0.18 -3.04 -0.07 0.00 1.25 0.00 0.00 42.46 40.78 2qhb s ILE 632 CO 0.63 -0.16 1.12 0.00 0.24 0.00 0.00 174.94 176.77 2qhb s ALA 633 N -2.40 2.84 0.35 2.27 0.00 -1.26 -4.92 121.76 118.63 2qhb s ALA 633 Ca 0.39 0.82 0.11 0.00 0.00 0.00 0.00 51.96 53.28 2qhb s ALA 633 Cb -0.03 -3.35 0.88 0.00 0.00 0.00 0.00 23.12 20.62 2qhb s ALA 633 CO 0.24 -0.63 1.80 -1.35 0.00 0.00 0.00 175.76 175.83 2qhb h PRO 634 N 1.63 0.60 0.00 0.00 0.11 -1.98 -1.80 132.00 130.56 2qhb h PRO 634 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2qhb h PRO 634 Cb 1.25 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2qhb h PRO 634 CO 0.59 0.40 0.00 1.04 -0.21 0.00 0.00 178.00 179.82 2qhb n GLN 635 N -4.66 0.29 -0.04 1.05 3.00 -1.26 -2.19 117.38 113.57 2qhb n GLN 635 Ca 0.22 0.09 0.02 0.00 -0.01 0.00 0.00 57.00 57.33 2qhb n GLN 635 Cb 0.64 -1.50 0.04 0.00 0.00 0.00 0.00 30.24 29.42 2qhb n GLN 635 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2qhb n GLN 636 N -1.17 1.54 -2.20 -1.09 10.64 -0.68 -5.00 117.38 119.42 2qhb n GLN 636 Ca 0.08 -1.30 -0.30 0.00 -1.83 0.00 0.00 57.00 53.65 2qhb n GLN 636 Cb 0.08 -1.09 0.00 0.00 -0.86 0.00 0.00 30.24 28.37 2qhb n GLN 636 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 2qhb s ARG 637 N -0.73 3.62 0.17 2.61 0.52 -0.93 -5.02 118.95 119.20 2qhb s ARG 637 Ca 0.07 0.59 0.08 0.00 -0.52 0.00 0.00 55.73 55.95 2qhb s ARG 637 Cb 0.04 -2.19 -0.04 0.00 0.52 0.00 0.00 34.95 33.28 2qhb s ARG 637 CO 0.06 -0.40 -0.17 1.03 0.02 0.00 0.00 175.30 175.83 2qhb s ARG 638 N -4.87 1.27 0.99 3.54 0.52 -1.26 -5.08 118.95 114.06 2qhb s ARG 638 Ca 0.53 -1.45 0.00 0.00 -0.52 0.00 0.00 55.73 54.29 2qhb s ARG 638 Cb -0.11 -1.24 0.00 0.00 0.52 0.00 0.00 34.95 34.12 2qhb s ARG 638 CO 0.48 0.24 0.00 0.41 0.02 0.00 0.00 175.30 176.45 2qhb n GLY 639 N 0.12 -1.88 3.66 -3.53 0.00 -1.26 -4.79 105.19 97.51 2qhb n GLY 639 Ca -0.12 -1.34 -0.45 0.00 0.00 0.00 0.00 46.02 44.11 2qhb n GLY 639 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qhb n GLU 640 N -0.85 1.91 -1.98 1.61 4.71 -1.26 -4.87 120.64 119.91 2qhb n GLU 640 Ca 0.00 0.68 -0.42 0.00 -0.01 0.00 0.00 57.16 57.41 2qhb n GLU 640 Cb 0.04 -2.32 -0.03 0.00 -1.01 0.00 0.00 31.44 28.12 2qhb n GLU 640 CO 0.00 0.00 0.00 -2.14 0.09 0.00 0.00 177.13 175.08 2qhb s PRO 641 N -0.35 4.22 -0.02 3.49 0.02 -1.26 -5.00 135.00 136.10 2qhb s PRO 641 Ca 0.69 2.27 -0.30 0.00 0.02 0.00 0.00 61.00 63.68 2qhb s PRO 641 Cb -0.68 -3.56 -0.03 0.00 0.02 0.00 0.00 34.50 30.25 2qhb s PRO 641 CO 0.49 -0.69 1.03 0.08 -0.33 0.00 0.00 177.00 177.58 2qhb s VAL 642 N 2.47 4.71 0.25 3.83 1.01 -1.26 -4.96 120.40 126.45 2qhb s VAL 642 Ca 0.72 1.96 -0.31 0.00 0.00 0.00 0.00 61.98 64.34 2qhb s VAL 642 Cb -0.39 -4.25 -0.13 0.00 0.00 0.00 0.00 36.38 31.61 2qhb s VAL 642 CO 0.31 0.11 1.38 -2.65 0.00 0.00 0.00 175.10 174.25 2qhb n PRO 643 N 4.25 2.01 -0.27 2.72 -0.02 -1.26 -4.83 135.00 137.61 2qhb n PRO 643 Ca 0.07 0.72 0.22 0.00 -2.02 0.00 0.00 63.50 62.49 2qhb n PRO 643 Cb 0.50 -2.36 0.55 0.00 -0.02 0.00 0.00 33.50 32.16 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 3.99 0.33 -0.84 -0.52 5.75 -2.00 -1.05 115.11 120.76 2qhb h GLN 644 Ca -0.45 -0.02 0.13 0.00 -0.15 0.00 0.00 58.65 58.16 2qhb h GLN 644 Cb 1.28 -0.07 -0.09 0.00 1.07 0.00 0.00 27.48 29.67 2qhb h GLN 644 CO 0.74 0.22 0.45 -0.44 -2.65 0.00 0.00 178.83 177.15 2qhb h ASP 645 N 0.34 0.59 -0.04 -0.69 3.32 -2.00 -0.49 116.42 117.45 2qhb h ASP 645 Ca 0.51 0.08 -0.10 0.00 0.02 0.00 0.00 57.03 57.54 2qhb h ASP 645 Cb 1.39 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.92 2qhb h ASP 645 CO -0.19 0.28 -0.36 -0.07 -1.72 0.00 0.00 179.24 177.19 2qhb h LEU 646 N 0.69 0.38 -0.98 1.55 3.38 -1.55 -2.76 115.31 116.02 2qhb h LEU 646 Ca 0.44 -0.70 0.15 0.00 0.09 0.00 0.00 57.88 57.86 2qhb h LEU 646 Cb 0.55 -0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.09 2qhb h LEU 646 CO -0.32 1.03 0.59 -0.07 0.09 0.00 0.00 178.44 179.76 2qhb h LEU 647 N -0.23 0.81 -0.58 1.67 3.38 -1.28 0.10 115.31 119.18 2qhb h LEU 647 Ca -0.03 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.05 2qhb h LEU 647 Cb 1.05 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 2qhb h LEU 647 CO 0.07 0.36 0.34 0.44 0.09 0.00 0.00 178.44 179.74 2qhb h ASP 648 N 0.84 0.53 1.50 -0.43 5.19 -0.99 -2.28 116.42 120.78 2qhb h ASP 648 Ca 0.53 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.94 2qhb h ASP 648 Cb 0.69 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 40.10 2qhb h ASP 648 CO -0.33 0.36 -0.04 0.03 -3.12 0.00 0.00 179.24 176.15 2qhb h ARG 649 N 0.65 0.00 -0.19 3.56 3.08 -0.59 -2.78 114.38 118.11 2qhb h ARG 649 Ca 0.24 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.23 2qhb h ARG 649 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 2qhb h ARG 649 CO -0.12 0.04 -0.13 0.28 -1.07 0.00 0.00 179.97 178.96 2qhb h VAL 650 N 0.00 1.32 0.00 2.04 2.07 -0.47 -0.64 116.25 120.56 2qhb h VAL 650 Ca -0.00 -1.23 -0.07 0.00 0.82 0.00 0.00 66.70 66.22 2qhb h VAL 650 Cb 0.79 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 2qhb h VAL 650 CO 0.00 0.37 -0.35 -0.07 0.02 0.00 0.00 177.57 177.55 2qhb h LEU 651 N 0.11 0.00 0.06 2.57 3.38 -1.39 0.52 115.31 120.55 2qhb h LEU 651 Ca 0.04 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.75 2qhb h LEU 651 Cb 0.64 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2qhb h LEU 651 CO 0.04 0.35 -1.25 0.00 0.09 0.00 0.00 178.44 177.67 2qhb h ALA 652 N 1.65 0.30 0.00 1.53 0.00 -1.43 -2.35 119.26 118.96 2qhb h ALA 652 Ca -0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 54.91 53.81 2qhb h ALA 652 Cb 0.86 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2qhb h ALA 652 CO 0.05 1.18 -0.60 0.00 0.00 0.00 0.00 179.25 179.88 2qhb h ALA 653 N 0.78 0.70 0.01 0.00 0.00 -1.01 -2.73 119.26 117.00 2qhb h ALA 653 Ca -0.12 -0.44 -0.23 0.00 0.00 0.00 0.00 54.91 54.13 2qhb h ALA 653 Cb 1.90 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.68 2qhb h ALA 653 CO 0.15 0.56 -0.95 1.25 0.00 0.00 0.00 179.25 180.27 2qhb h HIS 654 N 0.00 0.59 0.00 0.00 6.17 -0.91 -2.27 115.15 118.74 2qhb h HIS 654 Ca -0.03 -0.33 -0.20 0.00 0.71 0.00 0.00 60.37 60.53 2qhb h HIS 654 Cb 1.35 -0.07 -0.01 0.00 2.52 0.00 0.00 27.41 31.20 2qhb h HIS 654 CO 0.00 1.15 -0.88 0.00 0.71 0.00 0.00 177.93 178.91 2qhb h ALA 655 N 0.74 0.51 -0.06 5.26 0.00 -1.47 -3.22 119.26 121.01 2qhb h ALA 655 Ca -0.08 -0.73 -0.07 0.00 0.00 0.00 0.00 54.91 54.03 2qhb h ALA 655 Cb 1.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2qhb h ALA 655 CO 0.16 0.91 -0.24 -0.92 0.00 0.00 0.00 179.25 179.16 2qhb h TYR 656 N 0.11 0.37 -0.63 0.00 3.20 -1.50 -3.31 116.97 115.21 2qhb h TYR 656 Ca -0.05 -0.16 -0.38 0.00 3.14 0.00 0.00 58.73 61.29 2qhb h TYR 656 Cb 1.51 -0.06 -0.19 0.00 1.54 0.00 0.00 36.73 39.54 2qhb h TYR 656 CO 0.03 0.87 0.49 0.91 -1.64 0.00 0.00 178.16 178.81 2qhb n TRP 657 N -4.50 1.99 -3.58 -3.82 7.02 -0.85 -4.69 117.44 109.00 2qhb n TRP 657 Ca -0.08 -1.83 -0.33 0.00 -1.02 0.00 0.00 57.50 54.24 2qhb n TRP 657 Cb 0.46 -0.90 -0.07 0.00 -2.42 0.00 0.00 31.31 28.37 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 -0.28 4.08 0.00 -0.99 2.88 -1.22 -4.65 113.62 113.44 2qhb n SER 658 Ca 0.39 -3.25 0.00 0.00 -1.33 0.00 0.00 58.87 54.67 2qhb n SER 658 Cb 0.92 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 2qhb n SER 658 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48