#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iyh s ASN 603 N 0.00 6.55 -0.08 2.55 2.47 -1.26 -4.96 114.94 120.21 1iyh s ASN 603 Ca 0.00 0.65 0.03 0.00 0.42 0.00 0.00 52.86 53.96 1iyh s ASN 603 Cb 0.00 -2.26 -0.02 0.00 -1.45 0.00 0.00 41.25 37.53 1iyh s ASN 603 CO 0.00 -0.04 -0.16 -0.31 -3.72 0.00 0.00 177.10 172.87 1iyh s TYR 604 N 1.00 2.68 -0.11 0.43 1.51 -1.26 -1.15 117.35 120.45 1iyh s TYR 604 Ca 0.22 -0.43 -0.02 0.00 -1.01 0.00 0.00 57.07 55.83 1iyh s TYR 604 Cb -0.15 -1.69 0.04 0.00 -0.11 0.00 0.00 41.96 40.05 1iyh s TYR 604 CO 0.08 -0.03 0.03 0.21 -1.11 0.00 0.00 175.55 174.74 1iyh s LYS 605 N -0.27 0.47 -0.18 -0.62 2.20 -0.49 -1.73 119.74 119.13 1iyh s LYS 605 Ca 0.01 -0.00 -0.07 0.00 -0.36 0.00 0.00 55.97 55.55 1iyh s LYS 605 Cb -0.13 -1.27 -0.04 0.00 -1.51 0.00 0.00 37.83 34.88 1iyh s LYS 605 CO 0.03 -0.43 0.05 -1.17 -0.36 0.00 0.00 175.35 173.47 1iyh s LEU 606 N 1.99 3.73 -0.10 5.43 2.96 -0.11 -0.46 118.68 132.12 1iyh s LEU 606 Ca 0.03 0.05 0.04 0.00 -0.22 0.00 0.00 54.13 54.03 1iyh s LEU 606 Cb -0.14 -1.93 -0.00 0.00 0.50 0.00 0.00 46.19 44.62 1iyh s LEU 606 CO -0.06 0.18 -0.23 -0.89 -1.32 0.00 0.00 176.35 174.03 1iyh s THR 607 N 0.32 2.13 0.23 3.68 2.01 -0.78 -0.76 115.64 122.48 1iyh s THR 607 Ca 0.02 -0.99 -0.21 0.00 0.31 0.00 0.00 61.69 60.81 1iyh s THR 607 Cb -0.13 -1.82 0.07 0.00 0.01 0.00 0.00 72.50 70.64 1iyh s THR 607 CO 0.01 0.56 0.95 -0.47 -0.69 0.00 0.00 174.62 174.97 1iyh s TYR 608 N 0.36 0.03 0.96 4.92 5.04 -0.82 -2.63 117.35 125.20 1iyh s TYR 608 Ca -0.18 -0.47 -0.13 0.00 -2.44 0.00 0.00 57.07 53.85 1iyh s TYR 608 Cb -0.18 0.72 0.17 0.00 0.35 0.00 0.00 41.96 43.02 1iyh s TYR 608 CO 0.08 -1.07 1.13 -0.06 -1.34 0.00 0.00 175.55 174.29 1iyh s PHE 609 N -2.53 2.23 -1.10 4.97 2.99 -1.26 -1.46 117.98 121.81 1iyh s PHE 609 Ca 0.18 0.85 -0.19 0.00 0.00 0.00 0.00 56.93 57.77 1iyh s PHE 609 Cb -0.03 -3.38 0.10 0.00 0.00 0.00 0.00 43.02 39.71 1iyh s PHE 609 CO 0.06 -2.65 1.45 1.21 -0.00 0.00 0.00 175.22 175.28 1iyh s ASN 610 N -3.86 6.72 -0.08 1.36 2.47 -1.25 -4.74 114.94 115.55 1iyh s ASN 610 Ca 0.65 -2.13 -0.32 0.00 0.42 0.00 0.00 52.86 51.48 1iyh s ASN 610 Cb -0.15 -2.50 0.14 0.00 -1.45 0.00 0.00 41.25 37.28 1iyh s ASN 610 CO 0.55 -1.18 1.37 0.00 -3.72 0.00 0.00 177.10 174.12 1iyh s MET 611 N 3.63 0.17 -0.00 0.43 0.23 -1.26 -4.96 119.30 117.54 1iyh s MET 611 Ca 0.44 -0.09 -0.09 0.00 -1.03 0.00 0.00 55.69 54.92 1iyh s MET 611 Cb -0.01 0.06 -0.05 0.00 -1.53 0.00 0.00 34.83 33.30 1iyh s MET 611 CO -0.03 -0.08 0.70 0.00 -2.03 0.00 0.00 175.02 173.58 1iyh h ARG 612 N 2.00 -0.31 0.00 3.16 3.08 -1.38 -3.45 114.38 117.48 1iyh h ARG 612 Ca -0.30 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1iyh h ARG 612 Cb 1.19 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1iyh h ARG 612 CO 0.28 -0.21 0.00 0.41 -1.07 0.00 0.00 179.97 179.39 1iyh n GLY 613 N 0.11 1.54 0.00 0.04 0.00 -1.26 -1.91 105.19 103.70 1iyh n GLY 613 Ca -0.04 -0.27 0.14 0.00 0.00 0.00 0.00 46.02 45.85 1iyh n GLY 613 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iyh n ARG 614 N 14.00 0.12 0.00 1.61 1.74 -1.26 -3.35 116.66 129.52 1iyh n ARG 614 Ca 0.00 0.02 0.11 0.00 -0.77 0.00 0.00 57.85 57.21 1iyh n ARG 614 Cb 0.00 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 30.05 1iyh n ARG 614 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iyh n ALA 615 N -1.43 3.92 -0.18 7.54 0.00 -1.03 -4.33 120.51 124.98 1iyh n ALA 615 Ca 0.09 -0.43 -0.03 0.00 0.00 0.00 0.00 53.44 53.07 1iyh n ALA 615 Cb 0.30 -1.00 0.18 0.00 0.00 0.00 0.00 19.45 18.93 1iyh n ALA 615 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1iyh h GLU 616 N 0.00 0.94 -0.32 0.00 4.57 -1.38 -2.22 114.58 116.17 1iyh h GLU 616 Ca 0.00 -0.15 -0.02 0.00 -1.18 0.00 0.00 59.36 58.01 1iyh h GLU 616 Cb 0.52 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 1iyh h GLU 616 CO 0.00 0.77 0.12 0.97 -1.18 0.00 0.00 179.01 179.69 1iyh h ILE 617 N 0.93 1.13 -0.27 2.32 6.09 -1.82 -0.17 117.51 125.73 1iyh h ILE 617 Ca 0.22 -0.43 -0.15 0.00 -1.37 0.00 0.00 64.86 63.13 1iyh h ILE 617 Cb 0.17 0.76 -0.00 0.00 0.47 0.00 0.00 36.82 38.23 1iyh h ILE 617 CO -0.02 0.16 -0.43 0.40 -3.07 0.00 0.00 178.15 175.20 1iyh h ILE 618 N 0.45 1.30 -0.75 2.19 2.04 -1.70 -2.41 117.51 118.62 1iyh h ILE 618 Ca 0.11 -1.62 -0.03 0.00 1.00 0.00 0.00 64.86 64.32 1iyh h ILE 618 Cb 0.11 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 1iyh h ILE 618 CO -0.01 0.52 0.35 0.03 0.00 0.00 0.00 178.15 179.04 1iyh h ARG 619 N 0.50 1.09 -0.42 2.37 3.08 -0.78 -1.33 114.38 118.89 1iyh h ARG 619 Ca 0.02 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 1iyh h ARG 619 Cb 1.02 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 1iyh h ARG 619 CO 0.10 0.85 0.13 1.88 -1.07 0.00 0.00 179.97 181.86 1iyh h TYR 620 N 1.08 0.67 -0.82 3.04 -1.99 -0.99 -1.97 116.97 115.98 1iyh h TYR 620 Ca 0.26 -0.07 -0.04 0.00 2.00 0.00 0.00 58.73 60.88 1iyh h TYR 620 Cb 0.13 -0.19 -0.04 0.00 2.00 0.00 0.00 36.73 38.63 1iyh h TYR 620 CO 0.01 0.62 0.36 0.82 -0.00 0.00 0.00 178.16 179.97 1iyh h ILE 621 N 0.53 1.26 -0.49 -2.88 2.04 -0.99 -0.45 117.51 116.53 1iyh h ILE 621 Ca 0.13 -0.78 -0.09 0.00 1.00 0.00 0.00 64.86 65.13 1iyh h ILE 621 Cb 0.26 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 1iyh h ILE 621 CO -0.00 0.33 -0.03 -0.26 0.00 0.00 0.00 178.15 178.19 1iyh h PHE 622 N 1.18 0.98 -0.48 1.37 0.05 -1.15 -1.20 116.94 117.69 1iyh h PHE 622 Ca 0.28 -0.18 -0.02 0.00 3.82 0.00 0.00 57.97 61.87 1iyh h PHE 622 Cb 0.17 -0.25 -0.02 0.00 2.00 0.00 0.00 35.95 37.85 1iyh h PHE 622 CO 0.02 0.92 0.22 0.00 -0.18 0.00 0.00 178.31 179.29 1iyh h ALA 623 N 0.92 0.62 -0.44 2.45 0.00 -1.05 0.49 119.26 122.26 1iyh h ALA 623 Ca 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1iyh h ALA 623 Cb 0.55 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1iyh h ALA 623 CO 0.03 0.20 0.18 -0.92 0.00 0.00 0.00 179.25 178.74 1iyh h TYR 624 N 0.63 0.67 -0.00 0.00 3.20 -0.92 -2.38 116.97 118.17 1iyh h TYR 624 Ca 0.16 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1iyh h TYR 624 Cb 0.15 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.22 1iyh h TYR 624 CO -0.00 0.57 -0.01 1.28 -1.64 0.00 0.00 178.16 178.36 1iyh n LEU 625 N -4.61 0.30 -3.69 2.82 4.77 -0.47 -4.92 117.00 111.20 1iyh n LEU 625 Ca 0.01 -0.08 -0.23 0.00 -0.03 0.00 0.00 56.01 55.68 1iyh n LEU 625 Cb 0.14 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1iyh n LEU 625 CO 0.37 0.05 0.02 -0.67 -1.33 0.00 0.00 177.39 175.83 1iyh n ASP 626 N -0.79 -2.42 -4.63 -1.43 4.64 -0.02 -4.98 116.55 106.91 1iyh n ASP 626 Ca 0.22 -0.76 -0.35 0.00 -1.38 0.00 0.00 54.79 52.53 1iyh n ASP 626 Cb 0.17 -4.28 -0.10 0.00 -1.04 0.00 0.00 41.12 35.87 1iyh n ASP 626 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1iyh s ILE 627 N -3.52 4.53 0.28 5.18 1.01 -0.12 -5.03 121.20 123.53 1iyh s ILE 627 Ca 0.18 -0.14 -0.27 0.00 0.00 0.00 0.00 60.65 60.42 1iyh s ILE 627 Cb -0.09 -3.00 -0.09 0.00 0.01 0.00 0.00 42.46 39.29 1iyh s ILE 627 CO 0.80 0.51 0.92 -1.10 0.00 0.00 0.00 174.94 176.06 1iyh s GLN 628 N 0.01 4.64 0.18 2.79 -1.52 -1.26 -4.64 119.66 119.85 1iyh s GLN 628 Ca 0.04 1.33 -0.23 0.00 -1.95 0.00 0.00 55.36 54.55 1iyh s GLN 628 Cb -0.13 -2.97 0.06 0.00 -0.22 0.00 0.00 33.01 29.76 1iyh s GLN 628 CO 0.01 0.37 0.68 1.52 -0.25 0.00 0.00 175.29 177.62 1iyh s TYR 629 N -1.46 -0.40 -0.35 0.91 -0.85 -1.26 -4.54 117.35 109.39 1iyh s TYR 629 Ca 0.46 0.13 -0.18 0.00 -0.52 0.00 0.00 57.07 56.96 1iyh s TYR 629 Cb -0.21 0.60 -0.00 0.00 0.38 0.00 0.00 41.96 42.73 1iyh s TYR 629 CO 0.26 -0.93 0.49 -2.00 -1.52 0.00 0.00 175.55 171.85 1iyh s GLU 630 N -3.72 3.58 -1.29 -3.49 2.12 -0.71 -4.98 118.70 110.22 1iyh s GLU 630 Ca 0.05 -0.23 -0.11 0.00 0.36 0.00 0.00 54.97 55.04 1iyh s GLU 630 Cb -0.02 -3.82 0.15 0.00 0.26 0.00 0.00 34.13 30.70 1iyh s GLU 630 CO -0.06 -0.64 1.83 -3.47 -0.54 0.00 0.00 175.26 172.37 1iyh n ASP 631 N 5.70 4.96 -4.67 -1.70 4.64 -1.26 -0.93 116.55 123.28 1iyh n ASP 631 Ca -0.05 -3.04 -0.43 0.00 -1.38 0.00 0.00 54.79 49.89 1iyh n ASP 631 Cb 0.49 -1.53 -0.02 0.00 -1.04 0.00 0.00 41.12 39.01 1iyh n ASP 631 CO 0.00 0.00 0.00 -2.28 -0.82 0.00 0.00 177.20 174.10 1iyh s HIS 632 N 1.13 2.84 -0.28 -0.67 5.65 0.06 -5.01 115.29 119.02 1iyh s HIS 632 Ca 0.42 0.97 0.03 0.00 0.25 0.00 0.00 55.06 56.73 1iyh s HIS 632 Cb 0.07 -3.53 0.07 0.00 -1.18 0.00 0.00 32.58 28.01 1iyh s HIS 632 CO -0.00 -1.86 -0.07 1.03 -0.65 0.00 0.00 174.74 173.19 1iyh s ARG 633 N 3.22 2.06 0.73 2.88 0.52 -1.26 -1.95 118.95 125.15 1iyh s ARG 633 Ca 0.57 -1.47 -0.12 0.00 -0.52 0.00 0.00 55.73 54.19 1iyh s ARG 633 Cb -0.24 -2.97 0.03 0.00 0.52 0.00 0.00 34.95 32.29 1iyh s ARG 633 CO 0.18 -0.66 1.12 0.96 0.02 0.00 0.00 175.30 176.92 1iyh s ILE 634 N 1.05 3.14 0.16 1.52 -4.36 -0.54 -4.81 121.20 117.37 1iyh s ILE 634 Ca -0.04 0.37 0.05 0.00 -0.26 0.00 0.00 60.65 60.77 1iyh s ILE 634 Cb -0.20 -3.36 -0.04 0.00 1.25 0.00 0.00 42.46 40.11 1iyh s ILE 634 CO -0.06 -0.48 0.10 -0.70 0.24 0.00 0.00 174.94 174.04 1iyh s GLU 635 N -5.41 2.79 0.33 0.37 2.56 -1.26 -3.85 118.70 114.23 1iyh s GLU 635 Ca 0.59 -0.92 0.11 0.00 0.00 0.00 0.00 54.97 54.75 1iyh s GLU 635 Cb -0.11 -2.58 0.91 0.00 2.00 0.00 0.00 34.13 34.35 1iyh s GLU 635 CO 0.51 0.48 1.74 1.96 -0.56 0.00 0.00 175.26 179.39 1iyh h GLN 636 N 2.50 0.55 0.00 4.30 1.08 -2.00 0.43 115.11 121.96 1iyh h GLN 636 Ca -0.47 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 56.66 1iyh h GLN 636 Cb 1.20 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.50 1iyh h GLN 636 CO 0.62 0.36 -0.17 0.00 -0.95 0.00 0.00 178.83 178.69 1iyh h ALA 637 N 1.71 1.47 -0.03 3.87 0.00 -2.05 -2.71 119.26 121.52 1iyh h ALA 637 Ca 0.63 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1iyh h ALA 637 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1iyh h ALA 637 CO -0.44 0.22 -0.02 -0.25 0.00 0.00 0.00 179.25 178.76 1iyh n ASP 638 N -3.98 2.63 0.16 0.00 8.00 0.11 -4.51 116.55 118.97 1iyh n ASP 638 Ca -0.02 -1.86 -0.14 0.00 0.71 0.00 0.00 54.79 53.48 1iyh n ASP 638 Cb 0.26 0.02 -0.08 0.00 -0.02 0.00 0.00 41.12 41.30 1iyh n ASP 638 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 1iyh h TRP 639 N 4.09 -0.38 -0.94 1.24 -0.00 -1.17 -3.00 115.95 115.80 1iyh h TRP 639 Ca 0.00 -0.01 0.23 0.00 -0.00 0.00 0.00 58.89 59.11 1iyh h TRP 639 Cb 0.88 0.12 -0.17 0.00 -0.00 0.00 0.00 29.16 29.99 1iyh h TRP 639 CO 0.00 -0.08 -0.07 -1.35 -0.00 0.00 0.00 178.44 176.95 1iyh h PRO 640 N -0.67 0.02 -0.02 2.65 0.11 -1.79 0.29 132.00 132.59 1iyh h PRO 640 Ca -0.04 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 1iyh h PRO 640 Cb 0.47 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 1iyh h PRO 640 CO 0.07 0.01 -0.01 1.49 -0.21 0.00 0.00 178.00 179.35 1iyh h GLU 641 N 0.02 0.04 -0.86 1.05 4.57 -1.87 -3.19 114.58 114.35 1iyh h GLU 641 Ca 0.52 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.68 1iyh h GLU 641 Cb 0.97 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.52 1iyh h GLU 641 CO -0.90 0.44 0.52 0.82 -1.18 0.00 0.00 179.01 178.71 1iyh h ILE 642 N -0.36 1.24 -0.87 2.32 2.04 -1.09 -2.78 117.51 118.01 1iyh h ILE 642 Ca 0.00 -0.52 0.10 0.00 1.00 0.00 0.00 64.86 65.44 1iyh h ILE 642 Cb 0.43 0.02 -0.07 0.00 -0.74 0.00 0.00 36.82 36.46 1iyh h ILE 642 CO 0.00 0.25 0.51 0.50 0.00 0.00 0.00 178.15 179.41 1iyh h LYS 643 N 1.19 0.83 0.00 2.37 3.64 -0.48 -1.60 116.57 122.51 1iyh h LYS 643 Ca 0.31 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1iyh h LYS 643 Cb -0.05 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.58 1iyh h LYS 643 CO -0.06 0.55 0.00 0.77 -2.27 0.00 0.00 179.45 178.44 1iyh h SER 644 N 0.85 0.00 0.35 4.20 0.02 -1.48 -2.35 113.55 115.15 1iyh h SER 644 Ca 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1iyh h SER 644 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1iyh h SER 644 CO -0.24 0.00 -0.94 0.35 -1.14 0.00 0.00 176.83 174.85 1iyh n THR 645 N -2.83 0.10 -2.97 -2.27 -2.24 -0.61 -4.92 114.28 98.54 1iyh n THR 645 Ca -0.02 -0.16 -0.40 0.00 -2.27 0.00 0.00 64.05 61.21 1iyh n THR 645 Cb 0.12 0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 68.67 1iyh n THR 645 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1iyh s LEU 646 N -3.59 4.36 0.40 3.22 1.43 -0.88 -4.96 118.68 118.66 1iyh s LEU 646 Ca 0.06 1.34 0.21 0.00 -1.03 0.00 0.00 54.13 54.70 1iyh s LEU 646 Cb 0.15 -3.20 1.18 0.00 0.03 0.00 0.00 46.19 44.35 1iyh s LEU 646 CO 0.80 -0.10 1.71 -0.65 0.23 0.00 0.00 176.35 178.34 1iyh h PRO 647 N 6.45 0.30 0.00 1.29 0.11 -1.91 -2.11 132.00 136.12 1iyh h PRO 647 Ca -0.42 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1iyh h PRO 647 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1iyh h PRO 647 CO 0.74 0.20 -0.00 1.19 -0.21 0.00 0.00 178.00 179.91 1iyh n PHE 648 N -4.73 0.00 -2.79 0.65 3.01 -1.26 -5.02 117.46 107.32 1iyh n PHE 648 Ca 0.30 -0.43 -0.20 0.00 1.01 0.00 0.00 57.45 58.13 1iyh n PHE 648 Cb 1.05 -0.04 0.01 0.00 -0.01 0.00 0.00 39.48 40.48 1iyh n PHE 648 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1iyh n GLY 649 N -0.44 -0.51 3.09 1.37 0.00 -0.80 -4.99 105.19 102.92 1iyh n GLY 649 Ca 0.00 0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 1iyh n GLY 649 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iyh s LYS 650 N -5.44 0.60 0.27 1.61 -0.14 -1.26 -4.96 119.74 110.41 1iyh s LYS 650 Ca 0.17 -0.91 0.07 0.00 -1.36 0.00 0.00 55.97 53.95 1iyh s LYS 650 Cb -0.08 -0.24 -0.06 0.00 -1.68 0.00 0.00 37.83 35.77 1iyh s LYS 650 CO 0.21 0.02 -0.08 0.96 -0.76 0.00 0.00 175.35 175.71 1iyh s ILE 651 N -2.01 1.70 0.76 2.17 -4.36 -1.26 -4.62 121.20 113.57 1iyh s ILE 651 Ca -0.04 -2.15 -0.11 0.00 -0.26 0.00 0.00 60.65 58.08 1iyh s ILE 651 Cb -0.06 -2.37 0.05 0.00 1.25 0.00 0.00 42.46 41.33 1iyh s ILE 651 CO -0.01 -0.36 1.08 -2.16 0.24 0.00 0.00 174.94 173.73 1iyh s PRO 652 N -3.70 2.39 0.07 0.37 0.04 -1.26 -4.98 135.00 127.93 1iyh s PRO 652 Ca 0.28 0.94 0.02 0.00 0.04 0.00 0.00 61.00 62.28 1iyh s PRO 652 Cb 0.03 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 1iyh s PRO 652 CO 0.11 -1.49 -0.08 0.96 0.04 0.00 0.00 177.00 176.55 1iyh s ILE 653 N -3.01 0.65 -0.11 0.56 -4.36 -1.08 -3.81 121.20 110.03 1iyh s ILE 653 Ca 0.60 -1.49 0.00 0.00 -0.26 0.00 0.00 60.65 59.51 1iyh s ILE 653 Cb -0.15 -1.13 0.02 0.00 1.25 0.00 0.00 42.46 42.45 1iyh s ILE 653 CO 0.55 -0.60 -0.11 -0.22 0.24 0.00 0.00 174.94 174.81 1iyh s LEU 654 N -2.26 1.45 -0.24 0.37 2.96 0.13 -1.86 118.68 119.23 1iyh s LEU 654 Ca 0.00 -0.36 -0.12 0.00 -0.22 0.00 0.00 54.13 53.43 1iyh s LEU 654 Cb -0.03 -0.96 -0.05 0.00 0.50 0.00 0.00 46.19 45.66 1iyh s LEU 654 CO -0.02 -0.06 0.25 -1.61 -1.32 0.00 0.00 176.35 173.59 1iyh s GLU 655 N 1.39 4.06 -0.33 1.98 2.02 0.40 -0.14 118.70 128.08 1iyh s GLU 655 Ca 0.00 -0.13 -0.02 0.00 0.02 0.00 0.00 54.97 54.85 1iyh s GLU 655 Cb -0.13 -3.58 0.07 0.00 0.10 0.00 0.00 34.13 30.58 1iyh s GLU 655 CO -0.06 -0.06 0.06 0.08 0.02 0.00 0.00 175.26 175.30 1iyh s VAL 656 N 1.39 3.05 -1.44 2.63 1.01 0.11 -1.39 120.40 125.76 1iyh s VAL 656 Ca 0.11 -1.59 -0.09 0.00 0.00 0.00 0.00 61.98 60.41 1iyh s VAL 656 Cb -0.15 -2.86 0.05 0.00 0.00 0.00 0.00 36.38 33.42 1iyh s VAL 656 CO 0.07 -0.28 0.96 0.47 0.00 0.00 0.00 175.10 176.33 1iyh n ASP 657 N 4.60 -4.20 0.00 3.32 10.43 -0.30 -1.26 116.55 129.14 1iyh n ASP 657 Ca -0.10 -0.74 0.00 0.00 2.57 0.00 0.00 54.79 56.53 1iyh n ASP 657 Cb 0.43 -4.18 0.00 0.00 1.84 0.00 0.00 41.12 39.21 1iyh n ASP 657 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1iyh n GLY 658 N -1.70 3.00 3.70 0.44 0.00 -1.26 -5.02 105.19 104.35 1iyh n GLY 658 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1iyh n GLY 658 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iyh s LEU 659 N 0.00 4.29 0.00 0.99 1.43 -0.39 -5.00 118.68 120.01 1iyh s LEU 659 Ca 0.00 1.28 -0.26 0.00 -1.03 0.00 0.00 54.13 54.11 1iyh s LEU 659 Cb 0.00 -3.22 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 1iyh s LEU 659 CO 0.00 -0.22 0.83 -0.89 0.23 0.00 0.00 176.35 176.30 1iyh s THR 660 N 1.20 4.86 0.08 5.49 2.01 -1.26 0.06 115.64 128.07 1iyh s THR 660 Ca 0.41 1.74 0.09 0.00 0.31 0.00 0.00 61.69 64.24 1iyh s THR 660 Cb -0.18 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 1iyh s THR 660 CO 0.19 0.26 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.38 1iyh s LEU 661 N 0.56 2.24 0.35 4.42 1.43 0.81 -4.97 118.68 123.51 1iyh s LEU 661 Ca 0.43 -0.63 0.04 0.00 -1.03 0.00 0.00 54.13 52.94 1iyh s LEU 661 Cb -0.20 -1.10 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 1iyh s LEU 661 CO 0.24 0.17 0.18 -1.38 0.23 0.00 0.00 176.35 175.78 1iyh s HIS 662 N -0.95 1.71 0.00 0.29 -3.43 -1.26 -0.69 115.29 110.96 1iyh s HIS 662 Ca 0.10 -1.42 -0.00 0.00 -0.80 0.00 0.00 55.06 52.94 1iyh s HIS 662 Cb -0.10 -0.93 0.00 0.00 -1.43 0.00 0.00 32.58 30.12 1iyh s HIS 662 CO 0.03 -0.53 0.01 1.04 -2.00 0.00 0.00 174.74 173.29 1iyh n GLN 663 N -0.71 -2.18 -0.28 -0.38 1.13 -1.25 -4.35 117.38 109.36 1iyh n GLN 663 Ca 0.00 1.87 0.07 0.00 -1.94 0.00 0.00 57.00 57.00 1iyh n GLN 663 Cb 0.64 -2.30 0.21 0.00 0.11 0.00 0.00 30.24 28.90 1iyh n GLN 663 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1iyh h SER 664 N 1.79 0.38 1.03 1.08 4.64 -1.86 -1.46 113.55 119.16 1iyh h SER 664 Ca -0.01 0.11 -0.16 0.00 -0.47 0.00 0.00 61.79 61.26 1iyh h SER 664 Cb 0.03 0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 1iyh h SER 664 CO 0.00 0.14 -0.75 -0.07 -0.87 0.00 0.00 176.83 175.28 1iyh h LEU 665 N 0.51 0.00 -0.40 5.97 3.38 -1.91 -1.02 115.31 121.85 1iyh h LEU 665 Ca 0.45 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.31 1iyh h LEU 665 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1iyh h LEU 665 CO -0.40 0.75 -0.17 0.00 0.09 0.00 0.00 178.44 178.71 1iyh h ALA 666 N 1.25 0.56 -0.13 1.53 0.00 -1.69 -0.91 119.26 119.86 1iyh h ALA 666 Ca -0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1iyh h ALA 666 Cb 1.46 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1iyh h ALA 666 CO 0.10 0.49 0.01 0.82 0.00 0.00 0.00 179.25 180.67 1iyh h ILE 667 N 0.63 1.24 -0.77 0.00 2.04 -1.24 -1.49 117.51 117.92 1iyh h ILE 667 Ca 0.09 -0.76 0.08 0.00 1.00 0.00 0.00 64.86 65.27 1iyh h ILE 667 Cb 0.72 1.48 -0.07 0.00 -0.74 0.00 0.00 36.82 38.22 1iyh h ILE 667 CO 0.05 0.22 0.44 0.00 0.00 0.00 0.00 178.15 178.86 1iyh h ALA 668 N 0.78 1.07 -0.43 1.87 0.00 -1.10 -0.15 119.26 121.30 1iyh h ALA 668 Ca 0.04 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1iyh h ALA 668 Cb 0.33 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1iyh h ALA 668 CO 0.00 0.10 -0.12 -0.09 0.00 0.00 0.00 179.25 179.14 1iyh h ARG 669 N 0.77 0.78 -0.47 0.00 2.43 -1.04 -1.75 114.38 115.10 1iyh h ARG 669 Ca 0.36 -0.26 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1iyh h ARG 669 Cb 0.28 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1iyh h ARG 669 CO -0.22 0.87 0.15 -0.92 -1.51 0.00 0.00 179.97 178.34 1iyh h TYR 670 N 0.71 0.76 -0.11 2.20 3.20 -0.14 -2.15 116.97 121.44 1iyh h TYR 670 Ca 0.12 -0.08 -0.13 0.00 3.14 0.00 0.00 58.73 61.79 1iyh h TYR 670 Cb 0.60 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1iyh h TYR 670 CO 0.03 0.67 -0.49 -0.07 -1.64 0.00 0.00 178.16 176.65 1iyh h LEU 671 N 0.63 0.31 -0.15 2.82 3.38 -0.91 -3.20 115.31 118.18 1iyh h LEU 671 Ca 0.15 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iyh h LEU 671 Cb 0.26 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1iyh h LEU 671 CO -0.01 0.75 -0.34 0.35 0.09 0.00 0.00 178.44 179.28 1iyh n THR 672 N -3.96 0.00 -1.72 0.22 -2.24 -0.67 -4.87 114.28 101.04 1iyh n THR 672 Ca -0.02 -0.04 -0.43 0.00 -2.27 0.00 0.00 64.05 61.29 1iyh n THR 672 Cb 0.54 0.17 -0.02 0.00 -2.10 0.00 0.00 70.33 68.92 1iyh n THR 672 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1iyh n LYS 673 N -1.23 2.52 -2.19 -0.78 5.02 -0.82 -1.96 118.16 118.73 1iyh n LYS 673 Ca 0.08 0.90 -0.17 0.00 -2.02 0.00 0.00 58.31 57.11 1iyh n LYS 673 Cb 0.33 -2.67 -0.02 0.00 -0.02 0.00 0.00 35.03 32.65 1iyh n LYS 673 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1iyh n ASN 674 N 2.69 -4.96 -4.62 4.39 3.02 -1.26 -5.00 115.26 109.51 1iyh n ASN 674 Ca 0.12 0.05 -0.32 0.00 -0.03 0.00 0.00 54.58 54.40 1iyh n ASN 674 Cb 0.34 -4.04 -0.08 0.00 -0.61 0.00 0.00 39.78 35.39 1iyh n ASN 674 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1iyh s THR 675 N -2.80 1.00 -1.24 3.41 -4.23 -0.83 -5.03 115.64 105.92 1iyh s THR 675 Ca 0.00 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.76 1iyh s THR 675 Cb 0.00 -2.16 0.34 0.00 1.34 0.00 0.00 72.50 72.03 1iyh s THR 675 CO 0.00 0.00 1.84 -0.90 -0.54 0.00 0.00 174.62 175.02 1iyh n ASP 676 N -1.30 0.00 0.02 3.99 5.75 -1.26 -3.22 116.55 120.53 1iyh n ASP 676 Ca -0.17 0.17 0.13 0.00 -0.01 0.00 0.00 54.79 54.91 1iyh n ASP 676 Cb 0.67 -0.38 0.35 0.00 -1.03 0.00 0.00 41.12 40.73 1iyh n ASP 676 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1iyh n LEU 677 N -1.38 0.43 -4.95 -2.12 4.77 -1.26 -4.73 117.00 107.76 1iyh n LEU 677 Ca 0.10 0.24 -0.24 0.00 -0.03 0.00 0.00 56.01 56.08 1iyh n LEU 677 Cb 0.24 -0.31 0.02 0.00 -2.33 0.00 0.00 43.42 41.04 1iyh n LEU 677 CO 0.21 0.03 0.36 0.00 -1.33 0.00 0.00 177.39 176.67 1iyh s ALA 678 N -3.04 3.66 0.94 -1.18 0.00 -1.20 -1.81 121.76 119.13 1iyh s ALA 678 Ca 0.11 -1.02 -0.11 0.00 0.00 0.00 0.00 51.96 50.94 1iyh s ALA 678 Cb 0.17 -2.25 0.16 0.00 0.00 0.00 0.00 23.12 21.20 1iyh s ALA 678 CO 0.65 -0.57 1.12 0.20 0.00 0.00 0.00 175.76 177.16 1iyh s GLY 679 N -4.28 1.66 0.00 0.00 0.00 -1.26 -4.92 107.32 98.51 1iyh s GLY 679 Ca 0.52 0.45 0.27 0.00 0.00 0.00 0.00 44.72 45.95 1iyh s GLY 679 CO 0.40 0.91 1.60 0.70 0.00 0.00 0.00 173.10 176.71 1iyh n ASN 680 N -4.29 0.44 -3.95 1.64 5.03 -1.26 -4.73 115.26 108.14 1iyh n ASN 680 Ca 0.10 -0.19 -0.09 0.00 0.87 0.00 0.00 54.58 55.27 1iyh n ASN 680 Cb 0.52 0.03 -0.07 0.00 -1.02 0.00 0.00 39.78 39.24 1iyh n ASN 680 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1iyh s THR 681 N -2.88 0.09 0.24 3.41 -4.23 -1.26 -5.02 115.64 105.99 1iyh s THR 681 Ca 0.15 -1.39 -0.06 0.00 -1.18 0.00 0.00 61.69 59.21 1iyh s THR 681 Cb 0.18 -1.72 0.21 0.00 1.34 0.00 0.00 72.50 72.51 1iyh s THR 681 CO 0.61 -0.42 1.87 -0.33 -0.54 0.00 0.00 174.62 175.81 1iyh h GLU 682 N 2.64 0.99 -0.47 3.99 5.08 -1.99 -0.08 114.58 124.75 1iyh h GLU 682 Ca -0.33 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1iyh h GLU 682 Cb 1.22 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1iyh h GLU 682 CO 0.52 0.66 0.28 0.52 -1.00 0.00 0.00 179.01 179.98 1iyh h MET 683 N 1.02 0.64 -0.14 2.33 2.86 -1.99 -1.42 114.93 118.24 1iyh h MET 683 Ca 0.35 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.85 1iyh h MET 683 Cb 0.07 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1iyh h MET 683 CO -0.14 0.48 -0.25 0.93 1.06 0.00 0.00 176.91 178.99 1iyh h GLU 684 N 0.62 0.26 -0.02 1.72 5.08 -1.80 -1.41 114.58 119.02 1iyh h GLU 684 Ca 0.17 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.36 1iyh h GLU 684 Cb 0.01 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1iyh h GLU 684 CO -0.03 0.50 -0.37 1.96 -1.00 0.00 0.00 179.01 180.08 1iyh h GLN 685 N 0.24 0.05 -0.40 2.33 4.20 -0.49 -1.18 115.11 119.85 1iyh h GLN 685 Ca 0.04 -0.02 -0.13 0.00 0.06 0.00 0.00 58.65 58.60 1iyh h GLN 685 Cb 0.58 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1iyh h GLN 685 CO 0.04 0.41 -0.26 0.00 -0.67 0.00 0.00 178.83 178.35 1iyh h HIS 687 N 0.70 1.09 0.16 0.00 3.86 -0.74 0.19 115.15 120.41 1iyh h HIS 687 Ca 0.08 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1iyh h HIS 687 Cb 0.83 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.97 1iyh h HIS 687 CO 0.06 0.82 -0.08 0.28 0.86 0.00 0.00 177.93 179.87 1iyh h VAL 688 N 1.04 0.86 -0.76 2.45 2.07 -1.11 0.28 116.25 121.09 1iyh h VAL 688 Ca 0.25 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.76 1iyh h VAL 688 Cb 0.17 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 1iyh h VAL 688 CO -0.03 0.01 0.46 0.44 0.02 0.00 0.00 177.57 178.48 1iyh h ASP 689 N -0.24 0.72 -0.41 0.57 3.32 -0.94 -1.49 116.42 117.95 1iyh h ASP 689 Ca -0.02 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 1iyh h ASP 689 Cb 0.19 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1iyh h ASP 689 CO 0.04 0.47 0.02 0.00 -1.72 0.00 0.00 179.24 178.05 1iyh h ALA 690 N 1.36 0.55 -0.59 3.45 0.00 -0.36 -1.06 119.26 122.61 1iyh h ALA 690 Ca 0.33 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1iyh h ALA 690 Cb 0.13 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1iyh h ALA 690 CO -0.16 0.31 0.30 0.82 0.00 0.00 0.00 179.25 180.51 1iyh h ILE 691 N 0.54 1.20 -0.26 0.00 1.08 -0.60 -0.74 117.51 118.73 1iyh h ILE 691 Ca 0.12 -0.56 -0.00 0.00 -0.39 0.00 0.00 64.86 64.03 1iyh h ILE 691 Cb 0.44 0.49 -0.01 0.00 -3.07 0.00 0.00 36.82 34.67 1iyh h ILE 691 CO 0.02 0.23 0.16 0.58 -0.69 0.00 0.00 178.15 178.44 1iyh h VAL 692 N 0.80 1.10 -0.35 1.67 2.07 -1.14 -1.85 116.25 118.55 1iyh h VAL 692 Ca 0.20 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 1iyh h VAL 692 Cb 0.10 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1iyh h VAL 692 CO -0.03 0.10 -0.00 0.44 0.02 0.00 0.00 177.57 178.10 1iyh h ASP 693 N 0.33 0.51 -0.59 0.57 3.45 -0.93 0.13 116.42 119.89 1iyh h ASP 693 Ca 0.09 -0.10 -0.06 0.00 0.43 0.00 0.00 57.03 57.39 1iyh h ASP 693 Cb 0.02 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 38.64 1iyh h ASP 693 CO -0.02 0.58 0.12 0.74 -1.57 0.00 0.00 179.24 179.10 1iyh h THR 694 N 0.52 1.25 -0.23 0.35 2.02 -0.80 0.14 112.91 116.17 1iyh h THR 694 Ca 0.11 -0.94 -0.08 0.00 0.77 0.00 0.00 66.41 66.28 1iyh h THR 694 Cb 0.34 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1iyh h THR 694 CO 0.01 0.35 -0.15 -0.07 0.37 0.00 0.00 175.52 176.02 1iyh h LEU 695 N 0.86 0.54 -0.89 2.58 3.38 -0.88 -2.96 115.31 117.94 1iyh h LEU 695 Ca 0.18 -0.44 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 1iyh h LEU 695 Cb 0.38 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1iyh h LEU 695 CO 0.01 0.86 0.32 -0.78 0.09 0.00 0.00 178.44 178.93 1iyh h ASP 696 N 0.22 1.03 -0.54 -0.43 3.58 -0.57 -1.55 116.42 118.17 1iyh h ASP 696 Ca 0.05 -0.15 0.04 0.00 0.42 0.00 0.00 57.03 57.39 1iyh h ASP 696 Cb 0.68 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 41.42 1iyh h ASP 696 CO 0.04 0.90 0.29 0.44 -2.88 0.00 0.00 179.24 178.04 1iyh h ASP 697 N 1.10 0.44 0.13 2.28 3.45 -0.68 0.66 116.42 123.81 1iyh h ASP 697 Ca 0.26 0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.73 1iyh h ASP 697 Cb 0.18 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 38.89 1iyh h ASP 697 CO -0.02 0.30 -0.06 0.15 -1.57 0.00 0.00 179.24 178.03 1iyh h PHE 698 N 0.56 -0.16 -0.62 4.55 3.57 -1.29 -2.75 116.94 120.81 1iyh h PHE 698 Ca 0.23 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.78 1iyh h PHE 698 Cb 0.11 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 1iyh h PHE 698 CO -0.09 0.12 0.41 0.52 -2.23 0.00 0.00 178.31 177.04 1iyh h MET 699 N -0.44 0.64 0.00 1.11 2.86 -1.09 -0.95 114.93 117.07 1iyh h MET 699 Ca -0.02 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1iyh h MET 699 Cb 0.35 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1iyh h MET 699 CO 0.03 0.42 0.00 0.43 1.06 0.00 0.00 176.91 178.85 1iyh n SER 700 N -4.47 0.63 0.16 1.22 7.64 0.21 -2.61 113.62 116.41 1iyh n SER 700 Ca 0.08 0.65 0.02 0.00 1.01 0.00 0.00 58.87 60.63 1iyh n SER 700 Cb 0.19 -0.78 0.26 0.00 -1.01 0.00 0.00 64.21 62.86 1iyh n SER 700 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iyh s PHE 702 N -3.62 3.28 -1.41 0.00 0.40 -1.07 -4.92 117.98 110.65 1iyh s PHE 702 Ca -0.01 1.11 -0.14 0.00 -0.60 0.00 0.00 56.93 57.30 1iyh s PHE 702 Cb 0.12 -3.61 0.07 0.00 0.51 0.00 0.00 43.02 40.11 1iyh s PHE 702 CO 0.72 -2.01 2.10 -0.35 0.70 0.00 0.00 175.22 176.38 1iyh n PRO 703 N 3.43 3.02 -0.21 0.24 -0.04 -1.26 -4.77 135.00 135.41 1iyh n PRO 703 Ca 0.09 -2.85 0.06 0.00 -0.04 0.00 0.00 63.50 60.75 1iyh n PRO 703 Cb 0.43 -3.26 0.32 0.00 -0.04 0.00 0.00 33.50 30.96 1iyh n PRO 703 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1iyh h TRP 704 N 6.20 0.83 -0.08 0.54 4.06 -1.93 -2.30 115.95 123.26 1iyh h TRP 704 Ca 0.52 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.49 1iyh h TRP 704 Cb 0.67 -0.27 0.00 0.00 -1.00 0.00 0.00 29.16 28.56 1iyh h TRP 704 CO 1.42 0.44 0.00 0.00 -3.56 0.00 0.00 178.44 176.74 1iyh n ALA 705 N -2.44 2.52 -1.74 1.49 0.00 -1.26 -4.92 120.51 114.15 1iyh n ALA 705 Ca 0.11 -0.58 -0.43 0.00 0.00 0.00 0.00 53.44 52.54 1iyh n ALA 705 Cb 0.21 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 1iyh n ALA 705 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1iyh s GLU 706 N -1.92 3.63 0.16 0.00 2.56 -0.87 -4.87 118.70 117.39 1iyh s GLU 706 Ca 0.34 2.15 0.07 0.00 0.00 0.00 0.00 54.97 57.53 1iyh s GLU 706 Cb 0.20 -4.22 -0.07 0.00 2.00 0.00 0.00 34.13 32.04 1iyh s GLU 706 CO 0.31 -1.52 1.36 0.87 -0.56 0.00 0.00 175.26 175.72 1iyh h LYS 707 N 12.52 0.02 -5.74 4.30 1.79 -1.91 -3.42 116.57 124.13 1iyh h LYS 707 Ca -0.42 -0.03 -0.32 0.00 -2.18 0.00 0.00 60.65 57.69 1iyh h LYS 707 Cb 1.22 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.84 1iyh h LYS 707 CO 0.96 0.92 0.85 0.15 -1.08 0.00 0.00 179.45 181.25 1iyh s LYS 708 N -2.94 2.47 0.29 3.15 1.02 -1.26 -4.81 119.74 117.64 1iyh s LYS 708 Ca 0.00 0.07 0.04 0.00 0.02 0.00 0.00 55.97 56.09 1iyh s LYS 708 Cb 0.11 -4.85 0.71 0.00 -0.52 0.00 0.00 37.83 33.27 1iyh s LYS 708 CO 0.81 -3.32 1.72 0.37 -0.92 0.00 0.00 175.35 174.01 1iyh h GLN 709 N 12.64 0.46 -0.66 1.68 5.75 -1.99 0.15 115.11 133.14 1iyh h GLN 709 Ca -0.01 -0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.52 1iyh h GLN 709 Cb 1.05 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 29.44 1iyh h GLN 709 CO 1.19 0.31 0.37 0.38 -2.65 0.00 0.00 178.83 178.43 1iyh h ASP 710 N 0.48 0.54 0.17 -0.69 2.03 -1.97 -0.23 116.42 116.75 1iyh h ASP 710 Ca 0.55 0.03 -0.29 0.00 -0.73 0.00 0.00 57.03 56.59 1iyh h ASP 710 Cb 0.99 -0.07 0.03 0.00 -0.83 0.00 0.00 39.33 39.44 1iyh h ASP 710 CO -0.48 0.35 -1.21 0.58 -1.03 0.00 0.00 179.24 177.44 1iyh h VAL 711 N 0.68 1.30 0.19 4.15 2.07 -1.61 -3.12 116.25 119.91 1iyh h VAL 711 Ca 0.30 -2.49 -0.01 0.00 0.82 0.00 0.00 66.70 65.32 1iyh h VAL 711 Cb 0.19 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1iyh h VAL 711 CO -0.18 0.75 -0.09 0.50 0.02 0.00 0.00 177.57 178.57 1iyh h LYS 712 N 0.27 -0.24 -0.90 1.57 3.64 -0.78 -1.95 116.57 118.18 1iyh h LYS 712 Ca -0.17 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.27 1iyh h LYS 712 Cb 1.88 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 33.70 1iyh h LYS 712 CO 0.23 -0.07 0.59 1.49 -2.27 0.00 0.00 179.45 179.42 1iyh h GLU 713 N -0.36 1.04 -0.48 1.90 4.57 -1.17 -1.25 114.58 118.82 1iyh h GLU 713 Ca -0.03 -0.06 -0.12 0.00 -1.18 0.00 0.00 59.36 57.97 1iyh h GLU 713 Cb 0.28 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 1iyh h GLU 713 CO 0.04 0.69 -0.16 0.37 -1.18 0.00 0.00 179.01 178.77 1iyh h GLN 714 N 1.07 0.95 -0.28 1.92 -0.00 -1.46 -2.33 115.11 114.98 1iyh h GLN 714 Ca 0.37 -0.39 -0.17 0.00 -0.00 0.00 0.00 58.65 58.47 1iyh h GLN 714 Cb 0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 27.48 27.55 1iyh h GLN 714 CO -0.13 1.05 -0.49 1.98 0.00 0.00 0.00 178.83 181.24 1iyh h MET 715 N 0.81 0.77 -0.07 1.69 4.05 -0.92 -2.12 114.93 119.14 1iyh h MET 715 Ca 0.12 -0.46 -0.00 0.00 -0.28 0.00 0.00 59.70 59.08 1iyh h MET 715 Cb 0.73 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.56 1iyh h MET 715 CO 0.06 1.09 0.03 0.74 0.23 0.00 0.00 176.91 179.05 1iyh h PHE 716 N 0.61 0.10 0.00 1.39 -1.00 -1.20 -0.81 116.94 116.03 1iyh h PHE 716 Ca 0.03 -0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.74 1iyh h PHE 716 Cb 1.07 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.59 1iyh h PHE 716 CO 0.06 0.17 -0.29 -0.91 -1.61 0.00 0.00 178.31 175.73 1iyh h ASN 717 N -0.01 0.00 -0.14 2.17 2.35 -1.44 -0.14 115.58 118.37 1iyh h ASN 717 Ca 0.02 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.65 1iyh h ASN 717 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1iyh h ASN 717 CO -0.00 0.29 -0.38 -0.08 -1.65 0.00 0.00 177.43 175.61 1iyh h GLU 718 N 0.00 0.50 -0.40 0.81 4.81 -1.13 -1.78 114.58 117.39 1iyh h GLU 718 Ca -0.00 -0.35 -0.13 0.00 -0.13 0.00 0.00 59.36 58.75 1iyh h GLU 718 Cb 0.54 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 1iyh h GLU 718 CO 0.04 0.97 -0.26 -0.07 -0.73 0.00 0.00 179.01 178.96 1iyh h LEU 719 N 0.11 0.86 -0.12 1.64 3.38 -0.88 -1.51 115.31 118.79 1iyh h LEU 719 Ca -0.01 -0.33 -0.22 0.00 0.09 0.00 0.00 57.88 57.41 1iyh h LEU 719 Cb 0.99 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1iyh h LEU 719 CO 0.08 1.07 -0.99 -0.07 0.09 0.00 0.00 178.44 178.62 1iyh h LEU 720 N 0.72 0.25 0.13 1.67 3.38 -1.08 0.21 115.31 120.58 1iyh h LEU 720 Ca 0.09 -0.23 -0.31 0.00 0.09 0.00 0.00 57.88 57.52 1iyh h LEU 720 Cb 0.80 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1iyh h LEU 720 CO 0.07 1.09 -1.59 0.74 0.09 0.00 0.00 178.44 178.84 1iyh h THR 721 N 0.08 1.09 0.00 0.22 2.02 -1.34 -3.38 112.91 111.59 1iyh h THR 721 Ca -0.06 -2.73 -0.28 0.00 0.77 0.00 0.00 66.41 64.11 1iyh h THR 721 Cb 1.68 2.74 -0.05 0.00 -1.74 0.00 0.00 68.15 70.78 1iyh h THR 721 CO 0.15 0.82 -2.01 -1.22 0.37 0.00 0.00 175.52 173.62 1iyh n TYR 722 N -3.46 0.00 -0.04 3.16 4.02 -0.57 -4.66 117.16 115.60 1iyh n TYR 722 Ca -0.18 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.55 1iyh n TYR 722 Cb 1.05 -0.67 -0.13 0.00 -0.02 0.00 0.00 39.34 39.56 1iyh n TYR 722 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 1iyh h ASN 723 N -0.19 0.12 -0.51 7.72 4.21 -1.45 -3.37 115.58 122.11 1iyh h ASN 723 Ca -0.41 -0.96 0.10 0.00 1.21 0.00 0.00 56.30 56.23 1iyh h ASN 723 Cb 1.55 -0.04 -0.09 0.00 -1.12 0.00 0.00 38.32 38.63 1iyh h ASN 723 CO -0.12 1.13 -0.01 0.00 -1.29 0.00 0.00 177.43 177.14 1iyh h ALA 724 N -0.00 0.48 -0.57 -0.83 0.00 -0.79 -2.21 119.26 115.34 1iyh h ALA 724 Ca -0.06 0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1iyh h ALA 724 Cb 1.19 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 19.18 1iyh h ALA 724 CO 0.03 -0.39 0.23 -1.35 0.00 0.00 0.00 179.25 177.77 1iyh h PRO 725 N 0.11 0.42 -0.67 0.00 0.11 -1.76 -0.15 132.00 130.06 1iyh h PRO 725 Ca 0.26 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.30 1iyh h PRO 725 Cb 0.39 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.38 1iyh h PRO 725 CO -0.44 0.28 0.25 0.45 -0.21 0.00 0.00 178.00 178.34 1iyh h HIS 726 N 0.43 1.03 -0.53 0.65 3.86 -1.60 -1.83 115.15 117.16 1iyh h HIS 726 Ca 0.28 -0.08 -0.09 0.00 -1.16 0.00 0.00 60.37 59.31 1iyh h HIS 726 Cb 0.29 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 1iyh h HIS 726 CO -0.15 0.81 -0.02 1.25 0.86 0.00 0.00 177.93 180.69 1iyh h LEU 727 N 0.95 0.93 -0.65 2.43 5.85 -0.85 -1.39 115.31 122.60 1iyh h LEU 727 Ca 0.22 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1iyh h LEU 727 Cb 0.23 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1iyh h LEU 727 CO -0.02 1.02 0.42 0.24 -0.34 0.00 0.00 178.44 179.77 1iyh h MET 728 N 0.82 0.86 -0.39 1.25 2.86 -0.83 0.55 114.93 120.05 1iyh h MET 728 Ca 0.15 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 1iyh h MET 728 Cb 0.56 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1iyh h MET 728 CO 0.03 0.58 0.17 0.37 1.06 0.00 0.00 176.91 179.12 1iyh h GLN 729 N 0.88 0.57 -0.77 1.72 5.75 -1.16 0.12 115.11 122.23 1iyh h GLN 729 Ca 0.24 -0.09 0.01 0.00 -0.15 0.00 0.00 58.65 58.65 1iyh h GLN 729 Cb -0.08 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.33 1iyh h GLN 729 CO -0.05 0.52 0.51 -0.44 -2.65 0.00 0.00 178.83 176.72 1iyh h ASP 730 N 0.49 0.88 -0.42 -0.69 3.32 -0.77 0.17 116.42 119.40 1iyh h ASP 730 Ca 0.13 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.09 1iyh h ASP 730 Cb 0.15 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1iyh h ASP 730 CO -0.01 0.64 0.01 -0.07 -1.72 0.00 0.00 179.24 178.08 1iyh h LEU 731 N 1.04 0.73 -0.26 1.55 3.38 -0.55 0.50 115.31 121.70 1iyh h LEU 731 Ca 0.28 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1iyh h LEU 731 Cb -0.12 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1iyh h LEU 731 CO -0.06 0.85 0.15 -0.78 0.09 0.00 0.00 178.44 178.69 1iyh h ASP 732 N 0.58 0.31 -0.72 -0.43 -0.00 -0.42 -0.12 116.42 115.62 1iyh h ASP 732 Ca 0.12 -0.07 -0.04 0.00 -0.00 0.00 0.00 57.03 57.05 1iyh h ASP 732 Cb 0.48 -0.08 -0.03 0.00 -0.00 0.00 0.00 39.33 39.69 1iyh h ASP 732 CO 0.02 0.29 0.31 0.74 -0.00 0.00 0.00 179.24 180.60 1iyh h THR 733 N 0.31 1.25 -0.63 2.25 2.02 -0.86 -0.77 112.91 116.48 1iyh h THR 733 Ca 0.09 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.51 1iyh h THR 733 Cb 0.04 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 1iyh h THR 733 CO -0.02 0.30 0.33 0.22 0.37 0.00 0.00 175.52 176.72 1iyh h TYR 734 N 1.03 0.89 -0.37 3.16 3.20 -0.53 -2.83 116.97 121.52 1iyh h TYR 734 Ca 0.24 -0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.94 1iyh h TYR 734 Cb 0.18 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 1iyh h TYR 734 CO 0.01 0.65 -0.32 1.25 -1.64 0.00 0.00 178.16 178.12 1iyh h LEU 735 N 0.86 0.86 0.00 2.82 5.85 -0.74 -3.48 115.31 121.48 1iyh h LEU 735 Ca 0.22 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1iyh h LEU 735 Cb 0.08 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.87 1iyh h LEU 735 CO -0.03 1.10 0.00 0.61 -0.34 0.00 0.00 178.44 179.78 1iyh n GLY 736 N -0.04 3.08 1.56 3.75 0.00 -0.32 -2.01 105.19 111.21 1iyh n GLY 736 Ca -0.01 -0.30 0.10 0.00 0.00 0.00 0.00 46.02 45.81 1iyh n GLY 736 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iyh n GLY 737 N 0.00 2.64 3.79 -0.02 0.00 -1.26 -4.98 105.19 105.37 1iyh n GLY 737 Ca 0.00 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 1iyh n GLY 737 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iyh s ARG 738 N -1.68 2.73 0.01 1.61 0.52 -0.85 -4.99 118.95 116.31 1iyh s ARG 738 Ca 0.51 1.15 -0.21 0.00 -0.52 0.00 0.00 55.73 56.66 1iyh s ARG 738 Cb 0.32 -1.96 -0.19 0.00 0.52 0.00 0.00 34.95 33.64 1iyh s ARG 738 CO 0.27 -1.27 1.21 1.49 0.02 0.00 0.00 175.30 177.01 1iyh h GLU 739 N -0.54 0.36 -5.56 3.54 4.81 -1.89 -3.47 114.58 111.84 1iyh h GLU 739 Ca -0.45 -0.28 -0.51 0.00 -0.13 0.00 0.00 59.36 57.99 1iyh h GLU 739 Cb 1.23 0.05 -0.14 0.00 0.63 0.00 0.00 28.75 30.52 1iyh h GLU 739 CO 0.54 0.91 -0.67 -1.58 -0.73 0.00 0.00 179.01 177.48 1iyh s TRP 740 N -3.72 2.03 0.24 0.92 0.52 -1.26 -4.90 118.94 112.78 1iyh s TRP 740 Ca -0.14 -0.68 -0.05 0.00 0.02 0.00 0.00 56.10 55.25 1iyh s TRP 740 Cb 0.04 -1.18 0.26 0.00 -1.15 0.00 0.00 33.47 31.44 1iyh s TRP 740 CO 0.78 0.31 1.80 -0.07 0.02 0.00 0.00 176.95 179.79 1iyh h LEU 741 N 2.22 0.97 -7.99 2.99 3.38 -1.90 -3.43 115.31 111.55 1iyh h LEU 741 Ca -0.40 -0.16 -0.47 0.00 0.09 0.00 0.00 57.88 56.93 1iyh h LEU 741 Cb 1.24 -0.25 -0.32 0.00 0.09 0.00 0.00 40.66 41.41 1iyh h LEU 741 CO 0.68 0.89 -0.80 -0.63 0.09 0.00 0.00 178.44 178.67 1iyh s ILE 742 N -5.41 0.97 0.00 1.22 1.09 -1.26 -4.92 121.20 112.89 1iyh s ILE 742 Ca -0.11 -0.43 0.00 0.00 -1.10 0.00 0.00 60.65 59.01 1iyh s ILE 742 Cb 0.16 -0.88 0.00 0.00 -1.06 0.00 0.00 42.46 40.68 1iyh s ILE 742 CO 0.82 0.30 0.00 0.61 -0.10 0.00 0.00 174.94 176.58 1iyh n GLY 743 N 3.52 0.48 0.81 6.18 0.00 -1.26 -4.09 105.19 110.83 1iyh n GLY 743 Ca -0.21 -0.89 0.08 0.00 0.00 0.00 0.00 46.02 45.00 1iyh n GLY 743 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1iyh n MET 744 N 0.00 2.60 -3.88 1.61 0.00 -1.26 -4.54 117.12 111.65 1iyh n MET 744 Ca 0.00 -2.84 -0.09 0.00 0.00 0.00 0.00 57.70 54.76 1iyh n MET 744 Cb 0.00 -1.80 -0.08 0.00 0.00 0.00 0.00 33.22 31.34 1iyh n MET 744 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1iyh s SER 745 N -2.12 0.12 0.41 3.17 1.04 -1.26 -4.96 113.70 110.11 1iyh s SER 745 Ca 0.41 -0.54 -0.26 0.00 0.48 0.00 0.00 55.95 56.04 1iyh s SER 745 Cb 0.34 0.29 -0.09 0.00 0.10 0.00 0.00 66.02 66.66 1iyh s SER 745 CO 0.07 -0.61 1.39 0.54 0.98 0.00 0.00 173.24 175.62 1iyh s VAL 746 N -3.09 2.28 0.28 5.02 0.11 -1.26 -4.74 120.40 119.00 1iyh s VAL 746 Ca -0.01 0.26 0.02 0.00 -2.93 0.00 0.00 61.98 59.32 1iyh s VAL 746 Cb 0.01 -3.15 -0.05 0.00 -1.53 0.00 0.00 36.38 31.66 1iyh s VAL 746 CO -0.07 0.04 0.09 0.42 -3.33 0.00 0.00 175.10 172.25 1iyh s THR 747 N -1.20 0.75 -0.91 5.04 -4.23 -1.26 -4.50 115.64 109.34 1iyh s THR 747 Ca 0.57 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.20 1iyh s THR 747 Cb -0.42 -2.68 0.11 0.00 1.34 0.00 0.00 72.50 70.84 1iyh s THR 747 CO 0.55 0.00 1.39 -2.67 -0.54 0.00 0.00 174.62 173.35 1iyh n TRP 748 N -0.55 0.12 -0.11 3.99 4.27 -0.75 -1.32 117.44 123.09 1iyh n TRP 748 Ca -0.01 0.05 -0.09 0.00 -3.89 0.00 0.00 57.50 53.56 1iyh n TRP 748 Cb 0.66 -0.58 0.06 0.00 -1.36 0.00 0.00 31.31 30.09 1iyh n TRP 748 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1iyh h ALA 749 N 2.33 0.80 -0.49 -1.67 0.00 -1.87 0.33 119.26 118.70 1iyh h ALA 749 Ca 0.00 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 1iyh h ALA 749 Cb 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1iyh h ALA 749 CO 0.00 0.65 -0.06 -0.44 0.00 0.00 0.00 179.25 179.40 1iyh h ASP 750 N 0.73 0.84 0.21 0.00 5.19 -1.61 -0.95 116.42 120.83 1iyh h ASP 750 Ca 0.10 -0.24 -0.01 0.00 -0.62 0.00 0.00 57.03 56.26 1iyh h ASP 750 Cb 0.77 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.05 1iyh h ASP 750 CO 0.06 0.94 -0.11 -0.26 -3.12 0.00 0.00 179.24 176.76 1iyh h PHE 751 N 0.79 -0.28 -0.51 4.55 -1.00 -1.41 -2.15 116.94 116.94 1iyh h PHE 751 Ca 0.14 -0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.94 1iyh h PHE 751 Cb 0.56 0.09 -0.03 0.00 3.61 0.00 0.00 35.95 40.18 1iyh h PHE 751 CO 0.03 -0.17 0.34 -0.92 -1.61 0.00 0.00 178.31 175.98 1iyh h TYR 752 N -0.29 0.57 -0.43 -0.55 3.20 -0.65 -0.90 116.97 117.92 1iyh h TYR 752 Ca -0.03 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 1iyh h TYR 752 Cb 0.23 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 1iyh h TYR 752 CO -0.07 0.34 0.12 2.35 -1.64 0.00 0.00 178.16 179.26 1iyh h TRP 753 N 0.60 0.71 -0.70 -3.82 2.91 -0.81 -0.31 115.95 114.52 1iyh h TRP 753 Ca 0.20 -0.08 -0.07 0.00 1.13 0.00 0.00 58.89 60.07 1iyh h TRP 753 Cb 0.07 -0.20 -0.03 0.00 -0.51 0.00 0.00 29.16 28.48 1iyh h TRP 753 CO -0.00 0.65 0.15 1.49 -1.03 0.00 0.00 178.44 179.70 1iyh h GLU 754 N 0.56 1.14 -0.09 2.65 4.22 -0.70 -0.17 114.58 122.18 1iyh h GLU 754 Ca 0.14 -0.28 -0.02 0.00 0.08 0.00 0.00 59.36 59.27 1iyh h GLU 754 Cb 0.28 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1iyh h GLU 754 CO -0.00 1.01 -0.03 0.82 -2.18 0.00 0.00 179.01 178.63 1iyh h ILE 755 N 1.07 1.30 -0.57 2.32 2.04 -1.04 -1.73 117.51 120.90 1iyh h ILE 755 Ca 0.22 -0.98 -0.05 0.00 1.00 0.00 0.00 64.86 65.04 1iyh h ILE 755 Cb 0.40 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 1iyh h ILE 755 CO 0.01 0.28 0.15 0.00 0.00 0.00 0.00 178.15 178.58 1iyh h SER 757 N 0.82 0.09 -0.41 0.00 4.64 -1.03 -1.70 113.55 115.96 1iyh h SER 757 Ca 0.18 -0.04 0.03 0.00 -0.47 0.00 0.00 61.79 61.49 1iyh h SER 757 Cb 0.34 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.37 1iyh h SER 757 CO 0.00 0.49 0.22 0.74 -0.87 0.00 0.00 176.83 177.41 1iyh h THR 758 N 0.08 1.00 -0.31 2.95 2.02 -1.11 0.14 112.91 117.68 1iyh h THR 758 Ca 0.01 -0.15 -0.16 0.00 0.77 0.00 0.00 66.41 66.88 1iyh h THR 758 Cb 0.74 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1iyh h THR 758 CO 0.06 0.08 -0.42 0.74 0.37 0.00 0.00 175.52 176.35 1iyh h THR 759 N 0.44 1.29 -0.75 3.16 2.02 -1.40 -3.05 112.91 114.62 1iyh h THR 759 Ca 0.17 -1.60 -0.03 0.00 0.77 0.00 0.00 66.41 65.72 1iyh h THR 759 Cb 0.06 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 1iyh h THR 759 CO -0.11 0.52 0.33 -0.07 0.37 0.00 0.00 175.52 176.57 1iyh h LEU 760 N 0.60 0.99 -1.95 2.58 3.38 -1.02 -2.44 115.31 117.45 1iyh h LEU 760 Ca 0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1iyh h LEU 760 Cb 1.01 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1iyh h LEU 760 CO 0.10 0.86 -0.09 -0.07 0.09 0.00 0.00 178.44 179.33 1iyh h LEU 761 N 1.07 0.00 -0.67 1.67 3.38 -0.67 0.18 115.31 120.28 1iyh h LEU 761 Ca 0.26 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 1iyh h LEU 761 Cb 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1iyh h LEU 761 CO -0.03 0.09 0.14 0.58 0.09 0.00 0.00 178.44 179.31 1iyh h VAL 762 N 0.00 1.26 0.00 1.22 2.07 -1.33 -2.88 116.25 116.59 1iyh h VAL 762 Ca -0.00 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1iyh h VAL 762 Cb 0.18 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1iyh h VAL 762 CO 0.01 0.37 -1.09 0.49 0.02 0.00 0.00 177.57 177.37 1iyh n PHE 763 N -4.26 0.35 -3.34 1.57 3.01 -0.81 -4.66 117.46 109.32 1iyh n PHE 763 Ca 0.04 0.10 -0.24 0.00 1.01 0.00 0.00 57.45 58.37 1iyh n PHE 763 Cb 0.27 -0.52 -0.09 0.00 -0.01 0.00 0.00 39.48 39.13 1iyh n PHE 763 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1iyh s LYS 764 N -3.25 0.79 0.48 -1.08 2.20 0.58 -5.01 119.74 114.44 1iyh s LYS 764 Ca 0.02 -1.62 0.18 0.00 -0.36 0.00 0.00 55.97 54.19 1iyh s LYS 764 Cb 0.14 -1.14 1.18 0.00 -1.51 0.00 0.00 37.83 36.50 1iyh s LYS 764 CO 0.81 -1.31 2.00 -1.35 -0.36 0.00 0.00 175.35 175.13 1iyh h PRO 765 N 6.13 0.22 -0.53 4.03 0.11 -1.75 -2.05 132.00 138.15 1iyh h PRO 765 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1iyh h PRO 765 Cb 0.97 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1iyh h PRO 765 CO 0.28 0.15 0.00 -0.40 -0.21 0.00 0.00 178.00 177.82 1iyh n ASP 766 N -4.45 2.64 -0.27 -2.05 3.85 -1.26 -4.54 116.55 110.48 1iyh n ASP 766 Ca 0.09 -2.18 0.08 0.00 -0.71 0.00 0.00 54.79 52.07 1iyh n ASP 766 Cb 0.44 -0.39 0.22 0.00 -1.35 0.00 0.00 41.12 40.05 1iyh n ASP 766 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 1iyh h LEU 767 N 2.27 -0.03 -3.24 -2.12 5.85 -1.74 -2.68 115.31 113.63 1iyh h LEU 767 Ca 0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1iyh h LEU 767 Cb 0.81 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1iyh h LEU 767 CO 0.09 -0.09 0.00 0.18 -0.34 0.00 0.00 178.44 178.28 1iyh n LEU 768 N -5.20 4.08 0.11 2.25 4.77 -1.26 -4.62 117.00 117.13 1iyh n LEU 768 Ca 0.17 -2.81 0.11 0.00 -0.03 0.00 0.00 56.01 53.45 1iyh n LEU 768 Cb 0.54 -0.52 0.59 0.00 -2.33 0.00 0.00 43.42 41.70 1iyh n LEU 768 CO 0.09 0.69 1.13 0.44 -1.33 0.00 0.00 177.39 178.41 1iyh h ASP 769 N 2.34 0.14 -0.42 -1.43 5.19 -1.79 -1.26 116.42 119.18 1iyh h ASP 769 Ca 0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1iyh h ASP 769 Cb 1.41 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.89 1iyh h ASP 769 CO 0.23 0.09 0.00 0.59 -3.12 0.00 0.00 179.24 177.03 1iyh n ASN 770 N -4.48 3.46 -3.24 6.45 5.03 -1.26 -4.67 115.26 116.54 1iyh n ASN 770 Ca 0.03 -1.99 -0.24 0.00 0.87 0.00 0.00 54.58 53.25 1iyh n ASN 770 Cb 0.24 -0.27 -0.07 0.00 -1.02 0.00 0.00 39.78 38.65 1iyh n ASN 770 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1iyh n HIS 771 N 1.47 0.67 0.23 3.10 8.25 -0.47 -4.95 115.22 123.52 1iyh n HIS 771 Ca 0.20 -3.72 0.14 0.00 -0.26 0.00 0.00 57.72 54.08 1iyh n HIS 771 Cb 0.60 -0.40 0.79 0.00 1.12 0.00 0.00 29.99 32.09 1iyh n HIS 771 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1iyh h PRO 772 N 3.98 0.00 0.00 -0.41 0.13 -1.83 -1.70 132.00 132.16 1iyh h PRO 772 Ca 0.10 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.14 1iyh h PRO 772 Cb 0.83 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 1iyh h PRO 772 CO 0.56 0.00 -0.45 0.00 -0.23 0.00 0.00 178.00 177.88 1iyh h ARG 773 N 0.00 0.00 0.00 0.86 3.08 -1.93 -0.74 114.38 115.65 1iyh h ARG 773 Ca 0.05 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.96 1iyh h ARG 773 Cb 0.22 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1iyh h ARG 773 CO -0.00 0.45 -0.65 -0.07 -1.07 0.00 0.00 179.97 178.63 1iyh h LEU 774 N 0.00 0.00 -0.14 3.04 3.38 -1.70 -2.40 115.31 117.49 1iyh h LEU 774 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 1iyh h LEU 774 Cb 0.87 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.63 1iyh h LEU 774 CO 0.06 0.65 -0.66 0.58 0.09 0.00 0.00 178.44 179.16 1iyh h VAL 775 N 0.00 1.31 -0.96 1.22 2.07 -1.27 -2.29 116.25 116.33 1iyh h VAL 775 Ca -0.01 -1.90 0.01 0.00 0.82 0.00 0.00 66.70 65.63 1iyh h VAL 775 Cb 1.43 2.06 -0.05 0.00 -1.52 0.00 0.00 31.29 33.21 1iyh h VAL 775 CO 0.08 0.59 0.64 0.74 0.02 0.00 0.00 177.57 179.64 1iyh h THR 776 N 0.37 1.24 -0.03 2.57 2.02 -1.10 -1.64 112.91 116.34 1iyh h THR 776 Ca -0.04 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 1iyh h THR 776 Cb 1.29 -0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1iyh h THR 776 CO 0.14 0.24 0.01 0.25 0.37 0.00 0.00 175.52 176.52 1iyh h LEU 777 N 1.29 0.04 -0.54 2.58 6.46 -1.31 -1.68 115.31 122.15 1iyh h LEU 777 Ca 0.36 -0.14 0.09 0.00 -0.12 0.00 0.00 57.88 58.08 1iyh h LEU 777 Cb -0.13 -0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 39.72 1iyh h LEU 777 CO -0.08 0.16 0.12 0.03 -0.62 0.00 0.00 178.44 178.05 1iyh h ARG 778 N -0.09 0.25 -0.91 1.25 3.08 -0.99 -1.91 114.38 115.06 1iyh h ARG 778 Ca 0.01 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1iyh h ARG 778 Cb 0.14 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 1iyh h ARG 778 CO -0.00 0.17 0.52 0.87 -1.07 0.00 0.00 179.97 180.45 1iyh h LYS 779 N 0.26 1.26 -0.90 0.04 1.79 -1.13 -1.12 116.57 116.77 1iyh h LYS 779 Ca 0.27 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 1iyh h LYS 779 Cb 0.38 -0.25 -0.04 0.00 -1.58 0.00 0.00 32.23 30.73 1iyh h LYS 779 CO -0.35 0.91 0.51 0.87 -1.08 0.00 0.00 179.45 180.32 1iyh h LYS 780 N 1.27 1.25 -0.22 3.15 1.57 -0.57 -0.08 116.57 122.95 1iyh h LYS 780 Ca 0.32 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.92 1iyh h LYS 780 Cb 0.00 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 1iyh h LYS 780 CO -0.05 0.90 -0.07 0.28 -0.57 0.00 0.00 179.45 179.93 1iyh h VAL 781 N 1.26 1.29 0.00 0.50 2.07 -0.94 -2.80 116.25 117.63 1iyh h VAL 781 Ca 0.32 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1iyh h VAL 781 Cb -0.00 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1iyh h VAL 781 CO -0.05 0.33 0.00 0.00 0.02 0.00 0.00 177.57 177.87 1iyh n GLN 782 N -4.58 0.19 0.06 1.57 6.02 -0.46 -2.09 117.38 118.09 1iyh n GLN 782 Ca -0.04 0.49 0.12 0.00 -0.01 0.00 0.00 57.00 57.55 1iyh n GLN 782 Cb 0.30 -1.91 0.22 0.00 1.02 0.00 0.00 30.24 29.87 1iyh n GLN 782 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1iyh n ALA 783 N -1.78 2.89 -1.84 -1.58 0.00 -0.07 -3.80 120.51 114.33 1iyh n ALA 783 Ca 0.01 -0.23 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 1iyh n ALA 783 Cb 0.18 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 1iyh n ALA 783 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1iyh s ILE 784 N -3.14 3.29 0.13 0.00 1.01 -0.89 -4.80 121.20 116.81 1iyh s ILE 784 Ca 0.07 0.37 -0.26 0.00 0.00 0.00 0.00 60.65 60.84 1iyh s ILE 784 Cb 0.14 -3.24 -0.06 0.00 0.01 0.00 0.00 42.46 39.31 1iyh s ILE 784 CO 0.70 -0.03 1.32 -2.65 0.00 0.00 0.00 174.94 174.28 1iyh n PRO 785 N 7.25 -0.37 -0.36 2.79 -0.02 -1.26 0.34 135.00 143.37 1iyh n PRO 785 Ca 0.18 1.29 -0.00 0.00 -2.02 0.00 0.00 63.50 62.96 1iyh n PRO 785 Cb 0.42 -1.90 0.14 0.00 -0.02 0.00 0.00 33.50 32.13 1iyh n PRO 785 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iyh h ALA 786 N 0.39 1.29 -0.24 3.55 0.00 -1.90 -0.15 119.26 122.21 1iyh h ALA 786 Ca 0.13 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1iyh h ALA 786 Cb 0.34 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1iyh h ALA 786 CO -0.79 0.52 -0.40 0.28 0.00 0.00 0.00 179.25 178.87 1iyh h VAL 787 N 1.23 1.31 -0.79 0.00 2.07 -1.23 -2.43 116.25 116.41 1iyh h VAL 787 Ca 0.39 -1.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 1iyh h VAL 787 Cb 0.00 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 1iyh h VAL 787 CO -0.12 0.51 0.37 0.00 0.02 0.00 0.00 177.57 178.34 1iyh h ALA 788 N 0.65 1.02 -0.16 1.67 0.00 0.23 -0.49 119.26 122.17 1iyh h ALA 788 Ca 0.02 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1iyh h ALA 788 Cb 0.99 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1iyh h ALA 788 CO 0.09 0.59 0.06 -0.97 0.00 0.00 0.00 179.25 179.02 1iyh h ASN 789 N 1.12 0.07 -0.61 0.00 -1.24 -0.98 -0.61 115.58 113.33 1iyh h ASN 789 Ca 0.27 0.02 -0.05 0.00 0.71 0.00 0.00 56.30 57.25 1iyh h ASN 789 Cb 0.13 0.01 -0.03 0.00 0.73 0.00 0.00 38.32 39.16 1iyh h ASN 789 CO -0.03 0.06 0.21 -0.25 -1.29 0.00 0.00 177.43 176.13 1iyh h TRP 790 N 0.14 0.97 -0.28 0.67 2.91 -1.09 -2.45 115.95 116.83 1iyh h TRP 790 Ca 0.07 -0.09 -0.04 0.00 1.13 0.00 0.00 58.89 59.95 1iyh h TRP 790 Cb 0.04 -0.28 -0.02 0.00 -0.51 0.00 0.00 29.16 28.39 1iyh h TRP 790 CO -0.11 0.79 -0.02 0.82 -1.03 0.00 0.00 178.44 178.90 1iyh h ILE 791 N 0.87 1.18 -0.39 2.65 2.04 -0.83 0.13 117.51 123.17 1iyh h ILE 791 Ca 0.20 -0.71 -0.10 0.00 1.00 0.00 0.00 64.86 65.25 1iyh h ILE 791 Cb 0.27 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1iyh h ILE 791 CO -0.01 0.24 -0.14 0.50 0.00 0.00 0.00 178.15 178.74 1iyh h LYS 792 N 0.41 0.78 0.00 2.37 3.64 -0.75 -3.31 116.57 119.71 1iyh h LYS 792 Ca 0.09 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1iyh h LYS 792 Cb 0.30 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1iyh h LYS 792 CO 0.01 0.94 -0.97 2.89 -2.27 0.00 0.00 179.45 180.05 1iyh n ARG 793 N -4.31 0.04 -1.67 1.90 1.85 -0.95 -4.98 116.66 108.54 1iyh n ARG 793 Ca -0.02 -0.01 -0.34 0.00 -1.00 0.00 0.00 57.85 56.49 1iyh n ARG 793 Cb 0.39 -1.50 0.06 0.00 -1.05 0.00 0.00 32.46 30.36 1iyh n ARG 793 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 1iyh s ARG 794 N -3.03 2.55 0.74 2.89 1.70 0.44 -4.98 118.95 119.26 1iyh s ARG 794 Ca 0.08 1.63 -0.14 0.00 -0.47 0.00 0.00 55.73 56.82 1iyh s ARG 794 Cb 0.16 -1.90 0.05 0.00 -0.57 0.00 0.00 34.95 32.69 1iyh s ARG 794 CO 0.84 -1.49 1.18 -2.14 -1.08 0.00 0.00 175.30 172.60 1iyh s PRO 795 N -3.87 2.12 -0.28 3.89 0.02 -1.26 -5.01 135.00 130.62 1iyh s PRO 795 Ca 0.72 1.63 -0.10 0.00 0.02 0.00 0.00 61.00 63.28 1iyh s PRO 795 Cb -0.26 -1.84 -0.03 0.00 0.02 0.00 0.00 34.50 32.38 1iyh s PRO 795 CO 0.41 -1.82 0.14 -0.65 -0.33 0.00 0.00 177.00 174.75 1iyh s GLN 796 N -4.10 3.73 0.16 5.54 -1.52 -1.26 -4.96 119.66 117.26 1iyh s GLN 796 Ca 0.71 -0.45 -0.03 0.00 -1.95 0.00 0.00 55.36 53.64 1iyh s GLN 796 Cb -0.26 -3.53 -0.03 0.00 -0.22 0.00 0.00 33.01 28.97 1iyh s GLN 796 CO 0.47 -0.23 0.15 0.95 -0.25 0.00 0.00 175.29 176.38 1iyh s THR 797 N 1.68 0.07 0.23 -0.19 -4.23 -1.26 -5.06 115.64 106.88 1iyh s THR 797 Ca 0.06 -1.79 0.08 0.00 -1.18 0.00 0.00 61.69 58.86 1iyh s THR 797 Cb -0.16 -2.11 -0.07 0.00 1.34 0.00 0.00 72.50 71.50 1iyh s THR 797 CO 0.08 -0.30 1.52 0.50 -0.54 0.00 0.00 174.62 175.88 1iyh h LYS 798 N 2.71 0.08 0.00 3.99 3.64 -1.98 -3.48 116.57 121.53 1iyh h LYS 798 Ca -0.34 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1iyh h LYS 798 Cb 1.22 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1iyh h LYS 798 CO 0.54 0.75 0.00 1.28 -2.27 0.00 0.00 179.45 179.75