#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dko n TYR 608 N 0.00 2.94 -4.52 -1.42 9.36 0.35 -5.04 117.16 118.84 3dko n TYR 608 Ca 0.00 0.36 -0.33 0.00 3.32 0.00 0.00 57.90 61.26 3dko n TYR 608 Cb 0.00 -2.56 -0.16 0.00 -0.63 0.00 0.00 39.34 35.99 3dko n TYR 608 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3dko s ILE 609 N -0.65 2.10 -0.26 2.97 1.01 -1.26 -4.96 121.20 120.15 3dko s ILE 609 Ca 0.58 -0.96 -0.28 0.00 0.00 0.00 0.00 60.65 59.99 3dko s ILE 609 Cb -0.48 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.10 3dko s ILE 609 CO 0.57 0.54 1.92 -0.62 0.00 0.00 0.00 174.94 177.36 3dko s ASP 610 N 0.94 5.83 0.31 3.58 -1.08 -1.26 -4.85 116.67 120.14 3dko s ASP 610 Ca -0.04 1.59 0.18 0.00 -0.52 0.00 0.00 52.55 53.77 3dko s ASP 610 Cb -0.15 -2.52 0.99 0.00 -1.46 0.00 0.00 42.92 39.78 3dko s ASP 610 CO -0.05 -1.71 1.52 -0.81 0.52 0.00 0.00 175.17 174.64 3dko n PRO 611 N 8.41 0.12 -0.01 4.34 -0.04 -1.26 -0.88 135.00 145.68 3dko n PRO 611 Ca 0.25 0.61 0.14 0.00 -0.04 0.00 0.00 63.50 64.45 3dko n PRO 611 Cb 0.46 -2.00 0.56 0.00 -0.04 0.00 0.00 33.50 32.48 3dko n PRO 611 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3dko n GLU 612 N -2.17 1.57 0.00 0.54 1.02 -1.26 -2.65 120.64 117.69 3dko n GLU 612 Ca -0.01 -0.84 0.14 0.00 -0.02 0.00 0.00 57.16 56.43 3dko n GLU 612 Cb 0.13 -1.47 0.51 0.00 -0.02 0.00 0.00 31.44 30.60 3dko n GLU 612 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3dko n THR 613 N 0.02 0.00 -2.89 2.62 -2.24 -0.06 -4.85 114.28 106.88 3dko n THR 613 Ca 0.19 -0.05 -0.40 0.00 -2.27 0.00 0.00 64.05 61.52 3dko n THR 613 Cb 0.31 -0.02 -0.05 0.00 -2.10 0.00 0.00 70.33 68.48 3dko n THR 613 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3dko s TYR 614 N -2.64 3.73 0.37 4.78 2.02 -1.08 -4.97 117.35 119.55 3dko s TYR 614 Ca 0.23 1.56 0.07 0.00 -0.37 0.00 0.00 57.07 58.56 3dko s TYR 614 Cb 0.19 -2.92 0.72 0.00 -0.40 0.00 0.00 41.96 39.56 3dko s TYR 614 CO 0.53 0.20 1.93 1.05 -1.57 0.00 0.00 175.55 177.68 3dko h GLU 615 N 5.92 0.41 -5.05 -0.62 4.11 -1.88 -3.38 114.58 114.08 3dko h GLU 615 Ca -0.43 -0.08 -0.66 0.00 0.07 0.00 0.00 59.36 58.26 3dko h GLU 615 Cb 1.21 -0.07 -0.35 0.00 0.50 0.00 0.00 28.75 30.04 3dko h GLU 615 CO 0.72 0.45 -0.86 0.16 0.07 0.00 0.00 179.01 179.55 3dko s ASP 616 N -6.79 3.08 0.40 3.06 3.84 -1.26 -5.03 116.67 113.98 3dko s ASP 616 Ca -0.07 -0.63 0.13 0.00 -0.00 0.00 0.00 52.55 51.99 3dko s ASP 616 Cb 0.16 -1.44 0.83 0.00 -1.38 0.00 0.00 42.92 41.09 3dko s ASP 616 CO 0.75 0.01 1.89 1.55 -0.00 0.00 0.00 175.17 179.37 3dko h PRO 617 N 7.83 0.00 -0.18 2.11 0.13 -1.86 -2.70 132.00 137.32 3dko h PRO 617 Ca -0.43 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.65 3dko h PRO 617 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 3dko h PRO 617 CO 0.61 0.29 -0.11 -0.91 -0.23 0.00 0.00 178.00 177.66 3dko h ASN 618 N 0.00 0.27 -0.87 1.44 2.35 -1.95 -2.68 115.58 114.15 3dko h ASN 618 Ca -0.00 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3dko h ASN 618 Cb 0.52 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.78 3dko h ASN 618 CO 0.04 0.42 0.53 0.03 -1.65 0.00 0.00 177.43 176.79 3dko h ARG 619 N 0.28 1.18 -0.57 0.81 -0.00 -1.90 -1.48 114.38 112.71 3dko h ARG 619 Ca 0.06 -0.10 -0.05 0.00 -0.50 0.00 0.00 59.98 59.39 3dko h ARG 619 Cb 0.37 -0.25 -0.02 0.00 0.00 0.00 0.00 29.97 30.07 3dko h ARG 619 CO 0.02 0.83 0.18 0.00 0.00 0.00 0.00 179.97 180.99 3dko h ALA 620 N 1.38 0.74 -0.17 0.04 0.00 -1.59 -1.50 119.26 118.16 3dko h ALA 620 Ca 0.31 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3dko h ALA 620 Cb -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3dko h ALA 620 CO -0.06 0.41 0.01 0.28 0.00 0.00 0.00 179.25 179.89 3dko h VAL 621 N 0.79 0.90 0.00 0.00 2.07 -1.30 -1.94 116.25 116.77 3dko h VAL 621 Ca 0.18 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.63 3dko h VAL 621 Cb 0.28 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3dko h VAL 621 CO -0.01 0.01 -0.24 0.45 0.02 0.00 0.00 177.57 177.81 3dko h HIS 622 N 0.08 0.00 -0.04 1.57 3.86 -1.13 -1.33 115.15 118.15 3dko h HIS 622 Ca 0.08 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.11 3dko h HIS 622 Cb 0.09 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.57 3dko h HIS 622 CO -0.15 0.24 -0.68 0.37 0.86 0.00 0.00 177.93 178.57 3dko h GLN 623 N 0.00 0.54 -0.01 2.45 4.15 -0.91 -3.39 115.11 117.94 3dko h GLN 623 Ca -0.00 -0.52 0.00 0.00 0.77 0.00 0.00 58.65 58.90 3dko h GLN 623 Cb 0.82 0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.64 3dko h GLN 623 CO 0.03 1.15 -0.27 1.19 -1.93 0.00 0.00 178.83 179.00 3dko n PHE 624 N -4.12 0.00 -3.82 3.99 3.72 -0.76 -4.93 117.46 111.53 3dko n PHE 624 Ca -0.10 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.05 3dko n PHE 624 Cb 0.70 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 39.07 3dko n PHE 624 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dko s ALA 625 N -1.61 1.08 0.09 4.37 0.00 -0.51 -4.27 121.76 120.91 3dko s ALA 625 Ca 0.11 -0.49 -0.31 0.00 0.00 0.00 0.00 51.96 51.26 3dko s ALA 625 Cb 0.10 -0.95 -0.09 0.00 0.00 0.00 0.00 23.12 22.18 3dko s ALA 625 CO 0.32 -0.66 1.65 0.21 0.00 0.00 0.00 175.76 177.29 3dko s LYS 626 N 1.81 4.19 0.07 0.00 2.20 -1.26 -4.55 119.74 122.20 3dko s LYS 626 Ca 0.03 2.36 -0.31 0.00 -0.36 0.00 0.00 55.97 57.69 3dko s LYS 626 Cb -0.14 -3.52 -0.07 0.00 -1.51 0.00 0.00 37.83 32.59 3dko s LYS 626 CO -0.07 -0.72 1.41 -2.00 -0.36 0.00 0.00 175.35 173.61 3dko s GLU 627 N 2.39 4.30 0.09 4.03 2.56 -1.26 -0.45 118.70 130.36 3dko s GLU 627 Ca 0.74 2.05 0.03 0.00 0.00 0.00 0.00 54.97 57.79 3dko s GLU 627 Cb -0.41 -3.40 -0.04 0.00 2.00 0.00 0.00 34.13 32.28 3dko s GLU 627 CO 0.32 -0.51 0.09 -0.51 -0.56 0.00 0.00 175.26 174.09 3dko s LEU 628 N 1.71 3.83 -0.15 2.70 1.43 0.16 -4.87 118.68 123.49 3dko s LEU 628 Ca 0.65 -0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 53.45 3dko s LEU 628 Cb -0.35 -2.50 -0.01 0.00 0.03 0.00 0.00 46.19 43.36 3dko s LEU 628 CO 0.29 0.16 1.20 -0.62 0.23 0.00 0.00 176.35 177.61 3dko s ASP 629 N -2.45 7.01 0.37 2.29 2.15 -1.26 -4.66 116.67 120.12 3dko s ASP 629 Ca 0.30 1.66 0.05 0.00 0.43 0.00 0.00 52.55 54.99 3dko s ASP 629 Cb -0.12 -2.54 0.74 0.00 -0.30 0.00 0.00 42.92 40.70 3dko s ASP 629 CO 0.22 -0.69 2.00 0.00 -0.17 0.00 0.00 175.17 176.54 3dko h ALA 630 N 7.83 1.67 0.00 3.66 0.00 -1.96 -1.26 119.26 129.20 3dko h ALA 630 Ca -0.27 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3dko h ALA 630 Cb 1.11 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3dko h ALA 630 CO 0.94 0.27 0.00 -1.13 0.00 0.00 0.00 179.25 179.33 3dko n SER 631 N -4.46 0.41 -0.50 0.00 3.41 -1.26 -1.85 113.62 109.36 3dko n SER 631 Ca 0.08 0.61 0.13 0.00 -0.26 0.00 0.00 58.87 59.42 3dko n SER 631 Cb 0.13 -0.69 0.49 0.00 -0.26 0.00 0.00 64.21 63.88 3dko n SER 631 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dko s ILE 633 N -1.95 3.55 -0.22 0.00 1.01 -0.77 -0.27 121.20 122.54 3dko s ILE 633 Ca 0.37 -0.47 -0.01 0.00 0.00 0.00 0.00 60.65 60.53 3dko s ILE 633 Cb 0.20 -2.55 0.02 0.00 0.01 0.00 0.00 42.46 40.14 3dko s ILE 633 CO 0.32 0.49 -0.11 -0.75 0.00 0.00 0.00 174.94 174.89 3dko s LYS 634 N 0.59 3.03 -0.03 2.79 2.20 0.48 -4.99 119.74 123.81 3dko s LYS 634 Ca -0.04 -0.83 -0.24 0.00 -0.36 0.00 0.00 55.97 54.49 3dko s LYS 634 Cb -0.15 -2.84 -0.04 0.00 -1.51 0.00 0.00 37.83 33.29 3dko s LYS 634 CO 0.03 -0.28 0.73 0.42 -0.36 0.00 0.00 175.35 175.89 3dko s ILE 635 N 1.35 4.96 -0.09 5.43 1.09 -1.26 -0.72 121.20 131.95 3dko s ILE 635 Ca 0.03 1.52 -0.03 0.00 -1.10 0.00 0.00 60.65 61.07 3dko s ILE 635 Cb -0.15 -4.07 -0.05 0.00 -1.06 0.00 0.00 42.46 37.13 3dko s ILE 635 CO -0.07 0.28 -0.11 -0.62 -0.10 0.00 0.00 174.94 174.31 3dko n GLU 636 N 3.53 0.21 -3.82 2.79 1.02 -0.08 -4.97 120.64 119.32 3dko n GLU 636 Ca -0.01 0.08 -0.12 0.00 -0.02 0.00 0.00 57.16 57.09 3dko n GLU 636 Cb 0.51 -0.92 -0.09 0.00 -0.02 0.00 0.00 31.44 30.92 3dko n GLU 636 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3dko s ARG 637 N -2.17 0.59 -0.02 3.49 1.70 -1.16 -5.00 118.95 116.38 3dko s ARG 637 Ca -0.13 -0.35 -0.30 0.00 -0.47 0.00 0.00 55.73 54.48 3dko s ARG 637 Cb 0.05 0.25 -0.03 0.00 -0.57 0.00 0.00 34.95 34.65 3dko s ARG 637 CO 0.18 -0.16 0.99 0.08 -1.08 0.00 0.00 175.30 175.31 3dko s VAL 638 N -1.54 4.82 -0.08 4.99 1.01 -1.26 -0.73 120.40 127.60 3dko s VAL 638 Ca -0.13 2.03 0.03 0.00 0.00 0.00 0.00 61.98 63.91 3dko s VAL 638 Cb -0.06 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 3dko s VAL 638 CO 0.02 0.13 0.10 2.30 0.00 0.00 0.00 175.10 177.65 3dko n ILE 639 N 4.01 0.00 -3.46 2.22 -5.35 0.19 -4.91 119.36 112.07 3dko n ILE 639 Ca 0.07 -0.30 -0.14 0.00 -0.27 0.00 0.00 62.75 62.11 3dko n ILE 639 Cb 0.50 0.79 -0.03 0.00 -1.74 0.00 0.00 39.64 39.16 3dko n ILE 639 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3dko s GLY 640 N -1.66 -0.59 0.00 3.28 0.00 -0.29 -4.97 107.32 103.09 3dko s GLY 640 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 44.72 45.41 3dko s GLY 640 CO 0.12 0.35 0.00 0.00 0.00 0.00 0.00 173.10 173.57 3dko n ALA 641 N -0.01 0.00 -1.98 3.20 0.00 -1.26 -0.25 120.51 120.21 3dko n ALA 641 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.96 3dko n ALA 641 Cb 0.63 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.07 3dko n ALA 641 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3dko s GLU 643 N 0.00 3.67 0.00 0.00 -1.05 -1.26 -4.78 118.70 115.28 3dko s GLU 643 Ca 0.00 0.65 0.00 0.00 -0.15 0.00 0.00 54.97 55.47 3dko s GLU 643 Cb 0.00 -2.18 0.00 0.00 -0.44 0.00 0.00 34.13 31.51 3dko s GLU 643 CO 0.00 -0.39 0.00 1.19 0.95 0.00 0.00 175.26 177.01 3dko n PHE 644 N -2.29 0.00 -3.02 4.83 3.72 -1.26 -4.81 117.46 114.64 3dko n PHE 644 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 3dko n PHE 644 Cb 0.54 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 3dko n PHE 644 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dko n GLY 645 N 0.00 -0.56 3.85 1.37 0.00 -1.13 -0.83 105.19 107.90 3dko n GLY 645 Ca 0.00 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 3dko n GLY 645 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dko s GLU 646 N -0.55 3.92 -0.14 1.61 2.02 -1.25 -4.64 118.70 119.67 3dko s GLU 646 Ca 0.00 0.79 -0.01 0.00 0.02 0.00 0.00 54.97 55.76 3dko s GLU 646 Cb 0.00 -2.25 -0.02 0.00 0.10 0.00 0.00 34.13 31.96 3dko s GLU 646 CO 0.00 -0.13 -0.10 0.08 0.02 0.00 0.00 175.26 175.13 3dko s VAL 647 N -2.45 3.30 0.20 2.63 1.01 0.66 -0.78 120.40 124.97 3dko s VAL 647 Ca 0.56 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 62.05 3dko s VAL 647 Cb -0.10 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 3dko s VAL 647 CO 0.28 0.51 -0.14 0.00 0.00 0.00 0.00 175.10 175.75 3dko s SER 649 N -3.31 5.73 0.00 0.00 1.04 0.09 0.02 113.70 117.27 3dko s SER 649 Ca 0.22 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.49 3dko s SER 649 Cb -0.01 -1.53 0.00 0.00 0.10 0.00 0.00 66.02 64.59 3dko s SER 649 CO 0.07 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.85 3dko n GLY 650 N -1.22 1.18 3.06 7.32 0.00 -0.20 -0.90 105.19 114.42 3dko n GLY 650 Ca -0.08 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 3dko n GLY 650 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dko s ARG 651 N 1.52 0.52 -0.11 1.61 1.70 0.10 -1.62 118.95 122.67 3dko s ARG 651 Ca 0.00 -0.88 0.03 0.00 -0.47 0.00 0.00 55.73 54.41 3dko s ARG 651 Cb 0.00 -0.06 0.01 0.00 -0.57 0.00 0.00 34.95 34.33 3dko s ARG 651 CO 0.00 -0.02 -0.18 -1.17 -1.08 0.00 0.00 175.30 172.84 3dko s LEU 652 N -2.00 1.88 0.00 -1.89 2.96 -0.15 -0.39 118.68 119.10 3dko s LEU 652 Ca -0.06 -0.48 -0.28 0.00 -0.22 0.00 0.00 54.13 53.09 3dko s LEU 652 Cb -0.04 -1.20 -0.04 0.00 0.50 0.00 0.00 46.19 45.40 3dko s LEU 652 CO -0.03 0.07 0.91 -0.75 -1.32 0.00 0.00 176.35 175.23 3dko s LYS 653 N 0.74 4.55 -0.07 1.98 2.20 0.62 -1.78 119.74 127.98 3dko s LYS 653 Ca -0.11 1.29 0.04 0.00 -0.36 0.00 0.00 55.97 56.84 3dko s LYS 653 Cb -0.16 -3.44 -0.01 0.00 -1.51 0.00 0.00 37.83 32.70 3dko s LYS 653 CO 0.02 0.02 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.31 3dko s LEU 654 N 0.79 2.31 -0.04 5.43 1.43 -1.26 -4.96 118.68 122.38 3dko s LEU 654 Ca 0.48 -0.42 -0.31 0.00 -1.03 0.00 0.00 54.13 52.85 3dko s LEU 654 Cb -0.21 -1.45 -0.09 0.00 0.03 0.00 0.00 46.19 44.47 3dko s LEU 654 CO 0.26 0.25 2.00 -2.65 0.23 0.00 0.00 176.35 176.44 3dko n PRO 655 N 2.95 2.56 0.00 1.29 -0.02 -1.26 -2.59 135.00 137.93 3dko n PRO 655 Ca -0.18 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3dko n PRO 655 Cb 0.52 -2.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.03 3dko n PRO 655 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dko n GLY 656 N 4.77 2.60 3.90 -1.23 0.00 -1.26 -4.99 105.19 108.98 3dko n GLY 656 Ca 0.23 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 3dko n GLY 656 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dko s LYS 657 N 0.00 3.63 0.79 1.61 -2.85 -1.07 -5.08 119.74 116.78 3dko s LYS 657 Ca 0.00 0.07 -0.13 0.00 -1.00 0.00 0.00 55.97 54.91 3dko s LYS 657 Cb 0.00 -2.58 0.08 0.00 -2.06 0.00 0.00 37.83 33.27 3dko s LYS 657 CO 0.00 0.12 1.20 -0.98 0.10 0.00 0.00 175.35 175.79 3dko s ARG 658 N -3.79 1.73 0.36 1.78 1.04 -1.26 -4.27 118.95 114.53 3dko s ARG 658 Ca 0.45 1.73 -0.27 0.00 -1.04 0.00 0.00 55.73 56.60 3dko s ARG 658 Cb -0.10 -1.79 -0.09 0.00 -2.04 0.00 0.00 34.95 30.92 3dko s ARG 658 CO 0.32 -2.14 1.28 -0.51 -0.04 0.00 0.00 175.30 174.21 3dko s ASP 659 N -2.19 6.60 0.03 -2.89 1.01 -1.26 -4.54 116.67 113.43 3dko s ASP 659 Ca 0.73 2.61 0.02 0.00 0.71 0.00 0.00 52.55 56.62 3dko s ASP 659 Cb -0.28 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 40.97 3dko s ASP 659 CO 0.50 -0.64 0.01 0.68 0.21 0.00 0.00 175.17 175.92 3dko s VAL 660 N -1.22 4.17 0.12 -1.27 -7.23 -0.74 -4.91 120.40 109.32 3dko s VAL 660 Ca 0.53 -0.71 -0.31 0.00 -1.81 0.00 0.00 61.98 59.68 3dko s VAL 660 Cb -0.38 -2.91 -0.07 0.00 0.56 0.00 0.00 36.38 33.59 3dko s VAL 660 CO 0.49 0.29 1.25 0.00 -0.31 0.00 0.00 175.10 176.82 3dko s ALA 661 N -1.18 3.46 0.11 1.32 0.00 -1.26 -0.98 121.76 123.23 3dko s ALA 661 Ca 0.22 0.96 0.04 0.00 0.00 0.00 0.00 51.96 53.18 3dko s ALA 661 Cb -0.12 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 3dko s ALA 661 CO 0.14 -0.47 -0.10 0.14 0.00 0.00 0.00 175.76 175.47 3dko s VAL 662 N 0.70 0.97 -0.08 0.00 -7.23 -0.64 -2.96 120.40 111.17 3dko s VAL 662 Ca 0.58 -1.80 -0.06 0.00 -1.81 0.00 0.00 61.98 58.89 3dko s VAL 662 Cb -0.33 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 3dko s VAL 662 CO 0.32 -0.66 0.16 0.00 -0.31 0.00 0.00 175.10 174.62 3dko s ALA 663 N -2.86 3.90 -0.18 1.32 0.00 0.18 -1.03 121.76 123.09 3dko s ALA 663 Ca 0.10 -0.67 -0.00 0.00 0.00 0.00 0.00 51.96 51.39 3dko s ALA 663 Cb -0.00 -1.96 0.05 0.00 0.00 0.00 0.00 23.12 21.21 3dko s ALA 663 CO -0.01 0.66 -0.05 0.42 0.00 0.00 0.00 175.76 176.78 3dko s ILE 664 N -1.12 1.19 -0.27 0.00 1.01 0.10 -0.45 121.20 121.65 3dko s ILE 664 Ca 0.19 -0.75 -0.14 0.00 0.00 0.00 0.00 60.65 59.95 3dko s ILE 664 Cb -0.12 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 3dko s ILE 664 CO 0.09 0.08 0.34 -0.75 0.00 0.00 0.00 174.94 174.70 3dko s LYS 665 N 1.59 3.99 0.05 2.79 2.20 0.09 -0.62 119.74 129.83 3dko s LYS 665 Ca -0.01 -0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.57 3dko s LYS 665 Cb -0.16 -3.66 -0.04 0.00 -1.51 0.00 0.00 37.83 32.46 3dko s LYS 665 CO -0.08 -0.27 0.16 0.95 -0.36 0.00 0.00 175.35 175.76 3dko s THR 666 N 2.01 5.10 -0.49 3.43 -4.23 0.04 -1.02 115.64 120.49 3dko s THR 666 Ca 0.13 -0.45 -0.17 0.00 -1.18 0.00 0.00 61.69 60.03 3dko s THR 666 Cb -0.16 -3.45 0.07 0.00 1.34 0.00 0.00 72.50 70.30 3dko s THR 666 CO 0.10 0.19 0.47 -0.22 -0.54 0.00 0.00 174.62 174.62 3dko s LEU 667 N -2.30 5.43 0.28 4.79 2.96 -0.19 -2.84 118.68 126.81 3dko s LEU 667 Ca 0.31 -1.21 -0.28 0.00 -0.22 0.00 0.00 54.13 52.72 3dko s LEU 667 Cb -0.13 -2.27 -0.14 0.00 0.50 0.00 0.00 46.19 44.16 3dko s LEU 667 CO 0.23 -0.73 1.05 1.17 -1.32 0.00 0.00 176.35 176.75 3dko n LYS 668 N 5.52 1.40 -0.77 1.98 4.81 -0.01 -4.51 118.16 126.57 3dko n LYS 668 Ca -0.11 0.49 -0.32 0.00 -0.87 0.00 0.00 58.31 57.51 3dko n LYS 668 Cb 0.44 -1.89 0.15 0.00 0.02 0.00 0.00 35.03 33.75 3dko n LYS 668 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 3dko n VAL 669 N 0.36 0.36 -0.59 3.15 3.14 -1.26 -3.83 118.33 119.66 3dko n VAL 669 Ca 0.10 -0.08 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 3dko n VAL 669 Cb 0.32 -0.95 0.00 0.00 -1.06 0.00 0.00 33.84 32.14 3dko n VAL 669 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3dko n GLY 670 N 0.57 0.70 3.81 7.55 0.00 -1.26 -5.05 105.19 111.51 3dko n GLY 670 Ca 0.11 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3dko n GLY 670 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dko s TYR 671 N -2.00 3.01 0.59 1.61 -0.85 -1.25 -5.08 117.35 113.38 3dko s TYR 671 Ca 0.00 1.47 -0.00 0.00 -0.52 0.00 0.00 57.07 58.02 3dko s TYR 671 Cb 0.00 -2.96 0.05 0.00 0.38 0.00 0.00 41.96 39.43 3dko s TYR 671 CO 0.00 -1.23 0.83 0.95 -1.52 0.00 0.00 175.55 174.58 3dko s THR 672 N -2.76 2.55 0.20 -3.49 -4.23 -1.26 -4.96 115.64 101.69 3dko s THR 672 Ca 0.61 -0.60 -0.11 0.00 -1.18 0.00 0.00 61.69 60.41 3dko s THR 672 Cb -0.15 -2.95 0.12 0.00 1.34 0.00 0.00 72.50 70.86 3dko s THR 672 CO 0.47 0.00 1.76 -0.33 -0.54 0.00 0.00 174.62 175.98 3dko h GLU 673 N -0.09 0.44 -0.71 3.99 4.39 -2.00 -2.26 114.58 118.34 3dko h GLU 673 Ca -0.42 -0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.33 3dko h GLU 673 Cb 1.30 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 29.79 3dko h GLU 673 CO 0.52 0.29 0.39 0.87 -1.16 0.00 0.00 179.01 179.92 3dko h LYS 674 N 0.45 0.68 -0.35 2.33 6.56 -2.00 -2.03 116.57 122.21 3dko h LYS 674 Ca 0.28 -0.04 -0.12 0.00 -1.06 0.00 0.00 60.65 59.71 3dko h LYS 674 Cb 0.29 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 31.78 3dko h LYS 674 CO -0.25 0.45 -0.28 1.96 -2.06 0.00 0.00 179.45 179.27 3dko h GLN 675 N 0.70 0.73 -0.28 3.15 4.20 -1.84 -2.90 115.11 118.87 3dko h GLN 675 Ca 0.32 -0.32 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3dko h GLN 675 Cb 0.24 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3dko h GLN 675 CO -0.20 0.92 0.16 -0.09 -0.67 0.00 0.00 178.83 178.95 3dko h ARG 676 N 0.62 0.38 -0.32 1.46 2.43 -1.11 -2.25 114.38 115.60 3dko h ARG 676 Ca 0.08 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.27 3dko h ARG 676 Cb 0.80 -0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 30.19 3dko h ARG 676 CO 0.07 0.31 -0.36 -0.09 -1.51 0.00 0.00 179.97 178.39 3dko h ARG 677 N 0.34 -0.31 -0.57 0.20 2.43 -1.21 -0.36 114.38 114.90 3dko h ARG 677 Ca 0.10 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 3dko h ARG 677 Cb 0.04 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 3dko h ARG 677 CO -0.02 -0.21 0.06 -0.44 -1.51 0.00 0.00 179.97 177.86 3dko h ASP 678 N -0.32 0.89 0.16 -3.80 5.19 -1.43 -1.36 116.42 115.75 3dko h ASP 678 Ca 0.14 -0.21 -0.01 0.00 -0.62 0.00 0.00 57.03 56.33 3dko h ASP 678 Cb 0.56 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 39.83 3dko h ASP 678 CO -0.49 0.92 -0.09 0.15 -3.12 0.00 0.00 179.24 176.61 3dko h PHE 679 N 0.88 -0.23 0.00 4.55 3.57 -1.07 -3.13 116.94 121.50 3dko h PHE 679 Ca 0.17 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 3dko h PHE 679 Cb 0.43 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 3dko h PHE 679 CO 0.03 -0.14 -0.24 -0.07 -2.23 0.00 0.00 178.31 175.66 3dko h LEU 680 N -0.24 0.00 -1.82 0.59 3.38 -0.76 -3.01 115.31 113.45 3dko h LEU 680 Ca -0.02 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.19 3dko h LEU 680 Cb 0.19 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 3dko h LEU 680 CO 0.03 0.24 0.61 0.00 0.09 0.00 0.00 178.44 179.41 3dko h GLU 682 N 0.14 1.22 -0.45 0.00 4.81 -1.67 -1.89 114.58 116.74 3dko h GLU 682 Ca 0.43 -0.10 -0.13 0.00 -0.13 0.00 0.00 59.36 59.43 3dko h GLU 682 Cb 1.49 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 3dko h GLU 682 CO -0.07 0.85 -0.25 0.00 -0.73 0.00 0.00 179.01 178.81 3dko h ALA 683 N 1.30 0.71 -0.79 2.92 0.00 -0.97 0.11 119.26 122.54 3dko h ALA 683 Ca 0.33 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.88 3dko h ALA 683 Cb -0.07 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 3dko h ALA 683 CO -0.06 0.67 0.52 0.77 0.00 0.00 0.00 179.25 181.14 3dko h SER 684 N 0.81 0.81 0.15 0.00 0.02 -1.16 0.16 113.55 114.34 3dko h SER 684 Ca 0.10 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3dko h SER 684 Cb 0.82 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.18 3dko h SER 684 CO 0.07 0.55 -0.07 0.40 -1.14 0.00 0.00 176.83 176.64 3dko h ILE 685 N 0.94 0.00 -0.86 3.27 2.04 -1.14 -3.37 117.51 118.39 3dko h ILE 685 Ca 0.32 -0.23 0.22 0.00 1.00 0.00 0.00 64.86 66.17 3dko h ILE 685 Cb 0.09 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.03 3dko h ILE 685 CO -0.10 0.00 0.21 0.24 0.00 0.00 0.00 178.15 178.50 3dko h MET 686 N -0.43 0.20 0.00 2.37 2.86 -0.90 -1.84 114.93 117.19 3dko h MET 686 Ca -0.02 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3dko h MET 686 Cb 0.15 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3dko h MET 686 CO 0.03 0.13 0.00 0.41 1.06 0.00 0.00 176.91 178.54 3dko n GLY 687 N -1.38 -0.82 0.05 8.32 0.00 0.04 -1.69 105.19 109.70 3dko n GLY 687 Ca 0.20 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.27 3dko n GLY 687 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dko n GLN 688 N -1.28 0.14 -4.08 1.61 6.02 -0.69 -4.82 117.38 114.27 3dko n GLN 688 Ca 0.08 0.08 -0.32 0.00 -0.01 0.00 0.00 57.00 56.83 3dko n GLN 688 Cb 0.13 -1.63 -0.07 0.00 1.02 0.00 0.00 30.24 29.69 3dko n GLN 688 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3dko s PHE 689 N -3.06 3.25 -0.38 1.08 0.08 -0.68 -4.98 117.98 113.29 3dko s PHE 689 Ca 0.11 0.16 0.04 0.00 0.12 0.00 0.00 56.93 57.35 3dko s PHE 689 Cb 0.16 -1.69 0.16 0.00 -0.57 0.00 0.00 43.02 41.07 3dko s PHE 689 CO 0.61 0.54 0.42 0.34 -0.10 0.00 0.00 175.22 177.03 3dko s ASP 690 N -2.01 0.70 -0.12 1.36 2.15 -1.26 -4.86 116.67 112.63 3dko s ASP 690 Ca 0.26 -1.45 -0.13 0.00 0.43 0.00 0.00 52.55 51.65 3dko s ASP 690 Cb -0.12 0.80 0.03 0.00 -0.30 0.00 0.00 42.92 43.33 3dko s ASP 690 CO 0.17 -0.24 0.37 -2.28 -0.17 0.00 0.00 175.17 173.02 3dko s HIS 691 N 1.50 -0.38 -0.12 -5.34 2.46 -1.26 -5.05 115.29 107.09 3dko s HIS 691 Ca 0.17 0.91 0.26 0.00 0.47 0.00 0.00 55.06 56.87 3dko s HIS 691 Cb -0.13 0.14 1.32 0.00 -0.13 0.00 0.00 32.58 33.77 3dko s HIS 691 CO -0.04 -0.23 1.79 -1.00 -2.47 0.00 0.00 174.74 172.80 3dko h PRO 692 N 5.31 0.00 -0.32 2.88 0.13 -2.00 -2.27 132.00 135.74 3dko h PRO 692 Ca -0.27 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.75 3dko h PRO 692 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 3dko h PRO 692 CO 0.29 0.00 -0.02 0.09 -0.23 0.00 0.00 178.00 178.13 3dko n ASN 693 N -2.42 3.12 -3.94 1.44 4.13 -1.26 -4.86 115.26 111.47 3dko n ASN 693 Ca -0.01 -3.42 -0.22 0.00 1.68 0.00 0.00 54.58 52.61 3dko n ASN 693 Cb 0.10 -0.60 -0.16 0.00 -1.54 0.00 0.00 39.78 37.58 3dko n ASN 693 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3dko s VAL 694 N -3.06 0.78 0.31 2.41 1.01 -0.85 -0.71 120.40 120.29 3dko s VAL 694 Ca 0.44 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 3dko s VAL 694 Cb 0.38 -0.76 -0.11 0.00 0.00 0.00 0.00 36.38 35.88 3dko s VAL 694 CO 0.04 0.28 1.59 0.54 0.00 0.00 0.00 175.10 177.55 3dko s VAL 695 N 0.86 2.00 -0.19 2.92 0.11 -0.60 -4.59 120.40 120.92 3dko s VAL 695 Ca -0.12 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.82 3dko s VAL 695 Cb -0.15 -3.00 -0.05 0.00 -1.53 0.00 0.00 36.38 31.65 3dko s VAL 695 CO 0.01 0.00 0.19 -2.28 -3.33 0.00 0.00 175.10 169.69 3dko s HIS 696 N -0.18 3.42 -0.17 1.54 5.04 -1.26 -4.99 115.29 118.69 3dko s HIS 696 Ca 0.62 0.42 -0.25 0.00 -1.54 0.00 0.00 55.06 54.31 3dko s HIS 696 Cb -0.48 -2.23 -0.02 0.00 0.04 0.00 0.00 32.58 29.89 3dko s HIS 696 CO 0.51 0.26 0.80 -1.17 -2.34 0.00 0.00 174.74 172.80 3dko s LEU 697 N 0.44 4.17 -0.06 8.88 2.96 -1.26 -1.13 118.68 132.68 3dko s LEU 697 Ca 0.11 1.13 -0.24 0.00 -0.22 0.00 0.00 54.13 54.91 3dko s LEU 697 Cb -0.12 -3.18 -0.28 0.00 0.50 0.00 0.00 46.19 43.11 3dko s LEU 697 CO 0.00 -0.38 0.91 -0.33 -1.32 0.00 0.00 176.35 175.23 3dko h GLU 698 N 7.34 0.23 0.00 1.98 4.39 -0.98 -3.48 114.58 124.06 3dko h GLU 698 Ca -0.30 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.06 3dko h GLU 698 Cb 1.13 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 3dko h GLU 698 CO 0.83 1.13 0.00 0.41 -1.16 0.00 0.00 179.01 180.22 3dko n GLY 699 N 1.51 -0.53 3.14 -3.84 0.00 -1.01 -4.63 105.19 99.83 3dko n GLY 699 Ca -0.12 -0.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 3dko n GLY 699 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dko s VAL 700 N -3.19 0.16 -0.17 1.61 -7.23 0.41 -0.79 120.40 111.20 3dko s VAL 700 Ca 0.00 -1.30 0.01 0.00 -1.81 0.00 0.00 61.98 58.88 3dko s VAL 700 Cb 0.00 -1.21 0.02 0.00 0.56 0.00 0.00 36.38 35.75 3dko s VAL 700 CO 0.00 -0.72 -0.20 -0.69 -0.31 0.00 0.00 175.10 173.18 3dko s VAL 701 N -3.38 2.05 -0.02 1.32 1.01 -0.42 0.36 120.40 121.32 3dko s VAL 701 Ca 0.02 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.09 3dko s VAL 701 Cb 0.03 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 3dko s VAL 701 CO -0.08 0.54 0.03 0.35 0.00 0.00 0.00 175.10 175.94 3dko n THR 702 N 4.54 0.16 -3.92 3.92 -2.24 -1.26 -1.45 114.28 114.03 3dko n THR 702 Ca -0.21 -0.12 -0.10 0.00 -2.27 0.00 0.00 64.05 61.35 3dko n THR 702 Cb 0.50 -0.55 -0.10 0.00 -2.10 0.00 0.00 70.33 68.09 3dko n THR 702 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3dko s ARG 703 N -2.13 0.55 0.00 -0.78 1.81 -1.26 -4.93 118.95 112.21 3dko s ARG 703 Ca -0.02 -0.67 0.00 0.00 -1.72 0.00 0.00 55.73 53.33 3dko s ARG 703 Cb 0.01 0.22 0.00 0.00 -0.45 0.00 0.00 34.95 34.73 3dko s ARG 703 CO 0.14 -0.13 0.00 0.41 -0.68 0.00 0.00 175.30 175.04 3dko n GLY 704 N 0.97 3.06 3.19 -3.53 0.00 -1.26 -4.91 105.19 102.73 3dko n GLY 704 Ca -0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 3dko n GLY 704 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dko s LYS 705 N -0.17 1.03 0.18 1.61 -0.14 -1.26 -5.12 119.74 115.87 3dko s LYS 705 Ca 0.00 -1.44 -0.33 0.00 -1.36 0.00 0.00 55.97 52.83 3dko s LYS 705 Cb 0.00 0.27 -0.14 0.00 -1.68 0.00 0.00 37.83 36.28 3dko s LYS 705 CO 0.00 -0.32 1.42 -2.30 -0.76 0.00 0.00 175.35 173.39 3dko n PRO 706 N -0.15 1.80 -2.48 -1.68 -0.02 -1.26 -4.78 135.00 126.43 3dko n PRO 706 Ca -0.04 0.64 -0.42 0.00 -2.02 0.00 0.00 63.50 61.67 3dko n PRO 706 Cb 0.64 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 3dko n PRO 706 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3dko s VAL 707 N 0.33 4.04 0.01 -1.45 1.01 -1.26 -4.82 120.40 118.26 3dko s VAL 707 Ca 0.75 1.56 -0.06 0.00 0.00 0.00 0.00 61.98 64.23 3dko s VAL 707 Cb -0.74 -4.00 -0.00 0.00 0.00 0.00 0.00 36.38 31.64 3dko s VAL 707 CO 0.46 0.17 0.11 -0.04 0.00 0.00 0.00 175.10 175.79 3dko s MET 708 N 0.55 0.47 -0.14 2.72 -1.94 -0.53 -1.03 119.30 119.40 3dko s MET 708 Ca 0.55 -0.48 -0.01 0.00 -1.71 0.00 0.00 55.69 54.04 3dko s MET 708 Cb -0.29 0.19 -0.01 0.00 2.01 0.00 0.00 34.83 36.73 3dko s MET 708 CO 0.31 -0.11 -0.12 0.42 -0.01 0.00 0.00 175.02 175.51 3dko s ILE 709 N -1.55 3.08 -0.20 2.53 1.01 -0.19 -1.30 121.20 124.58 3dko s ILE 709 Ca -0.14 -0.64 -0.02 0.00 0.00 0.00 0.00 60.65 59.85 3dko s ILE 709 Cb -0.07 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 40.09 3dko s ILE 709 CO 0.00 0.51 -0.11 -0.69 0.00 0.00 0.00 174.94 174.65 3dko s VAL 710 N 0.51 2.80 0.09 2.92 1.01 0.03 -0.73 120.40 127.03 3dko s VAL 710 Ca -0.08 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.27 3dko s VAL 710 Cb -0.16 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 3dko s VAL 710 CO 0.04 0.48 -0.16 -0.63 0.00 0.00 0.00 175.10 174.82 3dko s ILE 711 N 1.33 1.35 0.33 2.22 1.01 0.40 -0.29 121.20 127.54 3dko s ILE 711 Ca 0.04 -1.45 -0.28 0.00 0.00 0.00 0.00 60.65 58.96 3dko s ILE 711 Cb -0.14 -1.31 -0.13 0.00 0.01 0.00 0.00 42.46 40.90 3dko s ILE 711 CO -0.07 -0.20 1.14 -1.84 0.00 0.00 0.00 174.94 173.98 3dko n GLU 712 N 1.10 1.72 -2.90 2.79 0.28 -0.28 0.52 120.64 123.86 3dko n GLU 712 Ca -0.20 0.60 -0.40 0.00 -0.16 0.00 0.00 57.16 57.00 3dko n GLU 712 Cb 0.54 -2.09 -0.05 0.00 1.43 0.00 0.00 31.44 31.27 3dko n GLU 712 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3dko s PHE 713 N -1.09 3.77 -0.34 -1.84 5.36 -1.15 -4.22 117.98 118.47 3dko s PHE 713 Ca 0.57 1.59 0.03 0.00 -0.96 0.00 0.00 56.93 58.17 3dko s PHE 713 Cb -0.63 -2.89 0.10 0.00 -0.34 0.00 0.00 43.02 39.26 3dko s PHE 713 CO 0.61 0.27 0.06 -1.64 -1.46 0.00 0.00 175.22 173.05 3dko s MET 714 N -0.11 1.38 0.29 10.12 -1.94 -1.26 -4.93 119.30 122.84 3dko s MET 714 Ca 0.41 -1.77 0.01 0.00 -1.71 0.00 0.00 55.69 52.63 3dko s MET 714 Cb -0.22 -3.04 0.54 0.00 2.01 0.00 0.00 34.83 34.12 3dko s MET 714 CO 0.25 -0.95 1.86 1.49 -0.01 0.00 0.00 175.02 177.67 3dko h GLU 715 N 7.67 0.99 -0.09 2.03 4.57 -1.86 -2.23 114.58 125.66 3dko h GLU 715 Ca -0.05 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 3dko h GLU 715 Cb 1.02 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 3dko h GLU 715 CO 0.51 0.66 0.00 0.09 -1.18 0.00 0.00 179.01 179.09 3dko n ASN 716 N -4.57 1.51 0.00 1.04 3.02 0.08 -4.97 115.26 111.37 3dko n ASN 716 Ca 0.17 -1.59 0.00 0.00 -0.03 0.00 0.00 54.58 53.14 3dko n ASN 716 Cb 0.30 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 3dko n ASN 716 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dko n GLY 717 N 1.14 1.16 3.74 7.41 0.00 -0.84 -4.59 105.19 113.21 3dko n GLY 717 Ca 0.18 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 3dko n GLY 717 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dko s ALA 718 N -1.80 3.39 0.28 4.61 0.00 -1.26 -0.70 121.76 126.27 3dko s ALA 718 Ca 0.00 0.84 -0.03 0.00 0.00 0.00 0.00 51.96 52.78 3dko s ALA 718 Cb 0.00 -3.35 0.39 0.00 0.00 0.00 0.00 23.12 20.16 3dko s ALA 718 CO 0.00 -0.21 1.91 1.25 0.00 0.00 0.00 175.76 178.72 3dko h LEU 719 N 4.81 0.95 -0.28 0.00 5.85 -0.17 -1.66 115.31 124.81 3dko h LEU 719 Ca -0.45 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.19 3dko h LEU 719 Cb 1.21 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 3dko h LEU 719 CO 0.71 0.75 0.14 -2.24 -0.34 0.00 0.00 178.44 177.46 3dko h ASP 720 N 1.08 0.36 -0.31 1.25 2.03 -1.80 -0.82 116.42 118.21 3dko h ASP 720 Ca 0.28 -0.11 -0.12 0.00 -0.73 0.00 0.00 57.03 56.34 3dko h ASP 720 Cb 0.00 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 38.39 3dko h ASP 720 CO -0.05 0.37 -0.22 0.00 -1.03 0.00 0.00 179.24 178.31 3dko h ALA 721 N 1.00 0.86 -0.39 4.15 0.00 -1.85 -2.27 119.26 120.76 3dko h ALA 721 Ca 0.10 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3dko h ALA 721 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3dko h ALA 721 CO -0.01 0.64 0.23 0.35 0.00 0.00 0.00 179.25 180.45 3dko h PHE 722 N 0.69 0.52 -0.58 0.00 3.57 -1.13 -1.78 116.94 118.22 3dko h PHE 722 Ca 0.10 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.50 3dko h PHE 722 Cb 0.74 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 3dko h PHE 722 CO 0.04 0.38 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.41 3dko h LEU 723 N 0.51 1.01 -1.10 0.59 3.38 -1.02 -1.98 115.31 116.70 3dko h LEU 723 Ca 0.14 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 3dko h LEU 723 Cb 0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3dko h LEU 723 CO -0.03 1.07 0.15 0.03 0.09 0.00 0.00 178.44 179.76 3dko h ARG 724 N 0.94 0.79 0.00 1.13 3.08 -1.14 -0.27 114.38 118.91 3dko h ARG 724 Ca 0.17 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 3dko h ARG 724 Cb 0.56 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3dko h ARG 724 CO 0.03 0.70 -0.38 -0.22 -1.07 0.00 0.00 179.97 179.03 3dko h LYS 725 N 0.77 0.00 -0.45 0.04 3.64 -1.09 -3.24 116.57 116.24 3dko h LYS 725 Ca 0.18 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.24 3dko h LYS 725 Cb 0.24 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 31.84 3dko h LYS 725 CO -0.01 0.38 -0.48 0.72 -2.27 0.00 0.00 179.45 177.79 3dko n HIS 726 N -3.65 1.60 -1.68 1.91 8.25 -0.33 -5.05 115.22 116.26 3dko n HIS 726 Ca -0.01 -1.93 -0.52 0.00 -0.26 0.00 0.00 57.72 55.00 3dko n HIS 726 Cb 0.48 -0.41 -0.06 0.00 1.12 0.00 0.00 29.99 31.13 3dko n HIS 726 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3dko n ASP 727 N -0.93 2.76 0.00 0.41 -0.08 -0.26 -1.62 116.55 116.83 3dko n ASP 727 Ca 0.35 1.04 0.00 0.00 -1.51 0.00 0.00 54.79 54.68 3dko n ASP 727 Cb 0.87 -1.26 0.00 0.00 2.34 0.00 0.00 41.12 43.07 3dko n ASP 727 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3dko n GLY 728 N 3.99 0.69 0.12 0.27 0.00 -1.26 -4.92 105.19 104.07 3dko n GLY 728 Ca 0.23 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.36 3dko n GLY 728 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dko n GLN 729 N -2.59 0.32 -4.62 1.61 6.02 -0.64 -4.91 117.38 112.57 3dko n GLN 729 Ca 0.00 -0.24 -0.34 0.00 -0.01 0.00 0.00 57.00 56.41 3dko n GLN 729 Cb 0.00 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 29.65 3dko n GLN 729 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3dko s PHE 730 N -2.85 2.94 0.87 1.08 0.08 -1.26 -5.11 117.98 113.73 3dko s PHE 730 Ca 0.13 -0.02 -0.11 0.00 0.12 0.00 0.00 56.93 57.04 3dko s PHE 730 Cb 0.17 -1.73 0.11 0.00 -0.57 0.00 0.00 43.02 41.01 3dko s PHE 730 CO 0.73 0.29 1.09 0.95 -0.10 0.00 0.00 175.22 178.19 3dko s THR 731 N -0.70 2.76 0.17 0.64 -4.23 -1.26 -4.82 115.64 108.19 3dko s THR 731 Ca 0.11 0.25 -0.15 0.00 -1.18 0.00 0.00 61.69 60.71 3dko s THR 731 Cb -0.11 -2.79 0.07 0.00 1.34 0.00 0.00 72.50 71.00 3dko s THR 731 CO 0.02 -0.32 1.73 0.58 -0.54 0.00 0.00 174.62 176.08 3dko h VAL 732 N -1.43 0.79 -0.97 2.29 2.07 -1.99 -1.03 116.25 115.97 3dko h VAL 732 Ca -0.49 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 66.98 3dko h VAL 732 Cb 1.28 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 3dko h VAL 732 CO 0.56 0.04 0.64 -0.29 0.02 0.00 0.00 177.57 178.54 3dko h ILE 733 N 0.22 1.21 -0.25 4.57 -0.00 -1.96 0.13 117.51 121.44 3dko h ILE 733 Ca 0.20 -0.44 -0.02 0.00 -0.00 0.00 0.00 64.86 64.61 3dko h ILE 733 Cb 0.25 -0.18 -0.01 0.00 -0.00 0.00 0.00 36.82 36.88 3dko h ILE 733 CO -0.26 0.23 0.09 1.56 -0.00 0.00 0.00 178.15 179.77 3dko h GLN 734 N 1.27 0.38 -0.55 2.19 4.20 -1.79 0.06 115.11 120.87 3dko h GLN 734 Ca 0.37 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.95 3dko h GLN 734 Cb -0.08 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 3dko h GLN 734 CO -0.10 0.45 0.11 -0.07 -0.67 0.00 0.00 178.83 178.55 3dko h LEU 735 N 0.24 0.81 -0.55 1.46 3.38 -0.68 -1.95 115.31 118.02 3dko h LEU 735 Ca 0.08 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 3dko h LEU 735 Cb 0.22 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3dko h LEU 735 CO -0.00 0.81 -0.18 0.58 0.09 0.00 0.00 178.44 179.74 3dko h VAL 736 N 0.83 1.27 -0.91 1.22 2.07 -0.64 -1.93 116.25 118.16 3dko h VAL 736 Ca 0.18 -1.33 0.04 0.00 0.82 0.00 0.00 66.70 66.40 3dko h VAL 736 Cb 0.34 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 3dko h VAL 736 CO 0.00 0.46 0.60 1.23 0.02 0.00 0.00 177.57 179.88 3dko h GLY 737 N 0.91 1.31 0.86 2.17 0.00 -0.62 0.17 103.07 107.87 3dko h GLY 737 Ca 0.12 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 3dko h GLY 737 CO 0.06 0.38 0.04 -0.33 0.00 0.00 0.00 176.54 176.69 3dko h MET 738 N 1.13 0.16 -0.59 4.80 2.07 -1.06 -1.75 114.93 119.68 3dko h MET 738 Ca 0.36 -0.03 -0.03 0.00 -2.07 0.00 0.00 59.70 57.93 3dko h MET 738 Cb 0.04 -0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 29.71 3dko h MET 738 CO -0.11 0.27 0.24 -0.07 1.07 0.00 0.00 176.91 178.30 3dko h LEU 739 N 0.01 0.77 -0.52 1.22 3.38 -0.99 -1.97 115.31 117.20 3dko h LEU 739 Ca 0.03 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3dko h LEU 739 Cb 0.17 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3dko h LEU 739 CO -0.00 0.69 0.26 -0.09 0.09 0.00 0.00 178.44 179.39 3dko h ARG 740 N 0.84 0.74 0.07 1.13 1.12 -0.57 -0.16 114.38 117.56 3dko h ARG 740 Ca 0.20 -0.10 0.00 0.00 -1.11 0.00 0.00 59.98 58.97 3dko h ARG 740 Cb 0.16 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 29.97 3dko h ARG 740 CO -0.02 0.60 -0.07 0.78 -3.11 0.00 0.00 179.97 178.15 3dko h GLY 741 N 0.69 -0.14 0.57 2.80 0.00 -1.03 -0.80 103.07 105.17 3dko h GLY 741 Ca 0.18 0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.66 3dko h GLY 741 CO -0.03 -0.08 0.25 -2.22 0.00 0.00 0.00 176.54 174.47 3dko h ILE 742 N -0.16 0.87 -0.44 2.60 2.04 -1.19 -1.24 117.51 119.99 3dko h ILE 742 Ca 0.01 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 3dko h ILE 742 Cb 0.16 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 3dko h ILE 742 CO -0.02 0.09 0.08 0.00 0.00 0.00 0.00 178.15 178.29 3dko h ALA 743 N 1.34 1.33 -0.38 1.87 0.00 -0.81 -0.41 119.26 122.20 3dko h ALA 743 Ca 0.26 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3dko h ALA 743 Cb 0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3dko h ALA 743 CO -0.22 0.47 -0.37 0.00 0.00 0.00 0.00 179.25 179.13 3dko h ALA 744 N 1.45 0.64 -0.32 0.00 0.00 -0.65 0.30 119.26 120.67 3dko h ALA 744 Ca 0.14 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3dko h ALA 744 Cb 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3dko h ALA 744 CO 0.00 0.67 0.15 0.78 0.00 0.00 0.00 179.25 180.86 3dko h GLY 745 N 0.84 0.50 1.38 0.00 0.00 -0.79 -2.11 103.07 102.88 3dko h GLY 745 Ca 0.06 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 3dko h GLY 745 CO 0.09 0.24 -0.01 -0.33 0.00 0.00 0.00 176.54 176.53 3dko h MET 746 N 0.38 0.76 -0.76 4.80 2.86 -1.01 -1.54 114.93 120.42 3dko h MET 746 Ca 0.11 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 3dko h MET 746 Cb 0.12 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 3dko h MET 746 CO -0.01 0.77 0.39 -0.09 1.06 0.00 0.00 176.91 179.03 3dko h ARG 747 N 0.71 1.08 0.10 1.72 2.43 -0.81 0.19 114.38 119.80 3dko h ARG 747 Ca 0.14 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3dko h ARG 747 Cb 0.45 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3dko h ARG 747 CO 0.02 0.82 -0.05 -0.92 -1.51 0.00 0.00 179.97 178.33 3dko h TYR 748 N 1.06 -0.13 -0.52 2.20 3.20 -1.17 -1.96 116.97 119.65 3dko h TYR 748 Ca 0.26 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.10 3dko h TYR 748 Cb 0.07 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 3dko h TYR 748 CO 0.00 -0.03 0.20 -0.07 -1.64 0.00 0.00 178.16 176.63 3dko h LEU 749 N -0.20 0.73 -0.79 2.82 3.38 -0.95 -1.92 115.31 118.37 3dko h LEU 749 Ca -0.01 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.80 3dko h LEU 749 Cb 0.16 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3dko h LEU 749 CO 0.02 0.70 0.51 0.00 0.09 0.00 0.00 178.44 179.77 3dko h ALA 750 N 1.05 1.02 0.00 1.53 0.00 -0.63 0.12 119.26 122.35 3dko h ALA 750 Ca 0.17 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3dko h ALA 750 Cb 0.21 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3dko h ALA 750 CO -0.01 0.37 -0.31 -0.44 0.00 0.00 0.00 179.25 178.86 3dko h ASP 751 N 1.03 0.00 0.68 0.00 5.19 -1.04 -1.72 116.42 120.57 3dko h ASP 751 Ca 0.30 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.71 3dko h ASP 751 Cb -0.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.45 3dko h ASP 751 CO -0.08 0.31 0.00 0.23 -3.12 0.00 0.00 179.24 176.57 3dko n MET 752 N -4.10 0.27 -0.84 3.56 2.81 -0.75 -4.90 117.12 113.16 3dko n MET 752 Ca -0.02 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3dko n MET 752 Cb 0.36 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 3dko n MET 752 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dko n GLY 753 N 1.23 0.51 3.66 3.03 0.00 -0.64 -0.49 105.19 112.48 3dko n GLY 753 Ca 0.11 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 3dko n GLY 753 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3dko s TYR 754 N -2.00 3.35 -0.27 1.61 5.04 -0.02 -4.90 117.35 120.16 3dko s TYR 754 Ca 0.00 0.63 -0.10 0.00 -2.44 0.00 0.00 57.07 55.16 3dko s TYR 754 Cb 0.00 -2.57 -0.04 0.00 0.35 0.00 0.00 41.96 39.69 3dko s TYR 754 CO 0.00 -0.07 0.16 0.08 -1.34 0.00 0.00 175.55 174.38 3dko s VAL 755 N 1.53 5.04 0.00 3.14 1.01 -1.26 -3.90 120.40 125.95 3dko s VAL 755 Ca 0.20 0.08 -0.25 0.00 0.00 0.00 0.00 61.98 62.01 3dko s VAL 755 Cb -0.15 -3.39 -0.17 0.00 0.00 0.00 0.00 36.38 32.67 3dko s VAL 755 CO 0.09 0.28 1.22 -0.74 0.00 0.00 0.00 175.10 175.95 3dko h HIS 756 N 8.30 -0.29 0.00 5.22 2.76 -1.96 -3.48 115.15 125.69 3dko h HIS 756 Ca -0.36 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.80 3dko h HIS 756 Cb 1.19 0.10 0.00 0.00 1.55 0.00 0.00 27.41 30.24 3dko h HIS 756 CO 0.73 0.06 0.00 0.54 -1.30 0.00 0.00 177.93 177.96 3dko n ARG 757 N -5.07 0.00 -2.75 5.26 1.74 -1.26 -4.76 116.66 109.82 3dko n ARG 757 Ca -0.09 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.94 3dko n ARG 757 Cb 0.25 -0.92 0.04 0.00 -1.02 0.00 0.00 32.46 30.81 3dko n ARG 757 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3dko n ASP 758 N 0.00 1.53 -4.68 0.55 2.03 -1.26 -5.00 116.55 109.72 3dko n ASP 758 Ca 0.00 -2.36 -0.42 0.00 0.52 0.00 0.00 54.79 52.52 3dko n ASP 758 Cb 0.00 -0.50 -0.03 0.00 -0.72 0.00 0.00 41.12 39.87 3dko n ASP 758 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3dko s LEU 759 N -3.48 4.31 -0.11 -2.67 2.96 -1.26 -4.80 118.68 113.63 3dko s LEU 759 Ca 0.27 2.14 -0.30 0.00 -0.22 0.00 0.00 54.13 56.02 3dko s LEU 759 Cb 0.39 -3.56 0.10 0.00 0.50 0.00 0.00 46.19 43.62 3dko s LEU 759 CO -0.00 -0.77 0.85 0.00 -1.32 0.00 0.00 176.35 175.11 3dko s ALA 760 N 2.74 -1.86 0.47 5.97 0.00 -1.26 -4.71 121.76 123.11 3dko s ALA 760 Ca 0.66 1.47 0.14 0.00 0.00 0.00 0.00 51.96 54.22 3dko s ALA 760 Cb -0.32 -0.39 1.11 0.00 0.00 0.00 0.00 23.12 23.52 3dko s ALA 760 CO 0.27 -0.34 2.08 0.00 0.00 0.00 0.00 175.76 177.77 3dko h ALA 761 N 2.77 1.96 0.00 0.00 0.00 -1.92 0.22 119.26 122.28 3dko h ALA 761 Ca -0.22 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 3dko h ALA 761 Cb 1.15 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3dko h ALA 761 CO 0.35 -0.00 -0.01 0.07 0.00 0.00 0.00 179.25 179.65 3dko h ARG 762 N 0.24 0.00 -0.63 0.00 0.11 -1.94 -2.28 114.38 109.90 3dko h ARG 762 Ca 0.12 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.20 3dko h ARG 762 Cb 0.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.25 3dko h ARG 762 CO -0.02 0.01 0.00 0.09 0.10 0.00 0.00 179.97 180.15 3dko n ASN 763 N -3.28 5.04 -4.39 0.08 3.02 0.76 -4.72 115.26 111.77 3dko n ASN 763 Ca -0.02 -2.59 -0.33 0.00 -0.03 0.00 0.00 54.58 51.60 3dko n ASN 763 Cb 0.12 -0.61 -0.14 0.00 -0.61 0.00 0.00 39.78 38.55 3dko n ASN 763 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3dko s ILE 764 N -2.12 3.15 0.01 2.41 -1.09 -0.87 -1.38 121.20 121.32 3dko s ILE 764 Ca 0.52 -0.63 0.00 0.00 -2.23 0.00 0.00 60.65 58.32 3dko s ILE 764 Cb 0.36 -2.32 -0.04 0.00 -1.58 0.00 0.00 42.46 38.87 3dko s ILE 764 CO 0.22 0.53 0.08 -0.76 -1.23 0.00 0.00 174.94 173.77 3dko s LEU 765 N 0.28 3.85 -0.07 2.97 1.43 -0.57 0.19 118.68 126.76 3dko s LEU 765 Ca -0.09 0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.16 3dko s LEU 765 Cb -0.15 -2.31 -0.00 0.00 0.03 0.00 0.00 46.19 43.76 3dko s LEU 765 CO 0.05 0.25 -0.22 -0.69 0.23 0.00 0.00 176.35 175.97 3dko s VAL 766 N -1.23 1.84 0.60 -1.59 1.01 0.12 -1.07 120.40 120.08 3dko s VAL 766 Ca 0.24 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.36 3dko s VAL 766 Cb -0.12 -1.58 0.09 0.00 0.00 0.00 0.00 36.38 34.77 3dko s VAL 766 CO 0.15 0.51 0.83 0.54 0.00 0.00 0.00 175.10 177.14 3dko s ASN 767 N 0.09 4.94 0.42 3.32 2.20 -0.87 -0.74 114.94 124.30 3dko s ASN 767 Ca -0.09 -0.68 0.17 0.00 -0.94 0.00 0.00 52.86 51.32 3dko s ASN 767 Cb -0.15 0.14 1.07 0.00 -2.00 0.00 0.00 41.25 40.31 3dko s ASN 767 CO 0.05 -1.44 1.86 0.77 -2.94 0.00 0.00 177.10 175.40 3dko h SER 768 N 0.02 0.41 -0.18 3.54 4.64 -1.93 0.15 113.55 120.19 3dko h SER 768 Ca -0.32 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3dko h SER 768 Cb 1.28 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3dko h SER 768 CO 0.41 0.17 0.00 0.59 -0.87 0.00 0.00 176.83 177.13 3dko n ASN 769 N -4.51 1.04 -0.34 4.97 5.03 -1.26 -4.88 115.26 115.31 3dko n ASN 769 Ca 0.19 -1.94 -0.04 0.00 0.87 0.00 0.00 54.58 53.65 3dko n ASN 769 Cb 0.67 -0.12 -0.02 0.00 -1.02 0.00 0.00 39.78 39.29 3dko n ASN 769 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3dko n LEU 770 N 0.05 -0.14 -4.71 3.41 4.77 0.04 -4.99 117.00 115.42 3dko n LEU 770 Ca 0.08 0.11 -0.42 0.00 -0.03 0.00 0.00 56.01 55.75 3dko n LEU 770 Cb 0.17 -1.37 -0.03 0.00 -2.33 0.00 0.00 43.42 39.86 3dko n LEU 770 CO 0.06 -0.42 0.87 -0.69 -1.33 0.00 0.00 177.39 175.88 3dko s VAL 771 N -1.98 4.17 -0.14 4.08 1.01 -1.26 -4.78 120.40 121.49 3dko s VAL 771 Ca 0.00 1.55 -0.07 0.00 0.00 0.00 0.00 61.98 63.46 3dko s VAL 771 Cb 0.00 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 3dko s VAL 771 CO 0.00 0.10 0.09 0.00 0.00 0.00 0.00 175.10 175.29 3dko s LYS 773 N -0.40 0.90 0.20 0.00 1.02 -0.24 -4.27 119.74 116.96 3dko s LYS 773 Ca 0.10 -0.21 -0.31 0.00 0.02 0.00 0.00 55.97 55.57 3dko s LYS 773 Cb -0.12 -0.86 -0.10 0.00 -0.52 0.00 0.00 37.83 36.23 3dko s LYS 773 CO 0.02 0.02 1.52 0.08 -0.92 0.00 0.00 175.35 176.07 3dko s VAL 774 N 0.50 2.62 0.12 3.17 1.01 0.11 -1.52 120.40 126.41 3dko s VAL 774 Ca -0.07 0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.39 3dko s VAL 774 Cb -0.11 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 3dko s VAL 774 CO 0.01 0.05 0.12 -1.20 0.00 0.00 0.00 175.10 174.08 3dko n SER 775 N 3.28 -0.33 -3.62 3.32 7.64 -0.48 -1.55 113.62 121.88 3dko n SER 775 Ca 0.11 -1.72 -0.01 0.00 1.01 0.00 0.00 58.87 58.26 3dko n SER 775 Cb 0.39 0.68 -0.04 0.00 -1.01 0.00 0.00 64.21 64.23 3dko n SER 775 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3dko s ASP 776 N -1.78 -1.08 0.00 6.43 -1.08 -1.26 -4.74 116.67 113.17 3dko s ASP 776 Ca 0.12 1.49 0.25 0.00 -0.52 0.00 0.00 52.55 53.89 3dko s ASP 776 Cb 0.00 2.19 0.57 0.00 -1.46 0.00 0.00 42.92 44.22 3dko s ASP 776 CO 0.09 -0.21 1.47 0.49 0.52 0.00 0.00 175.17 177.53 3dko n PHE 777 N 5.34 0.11 -1.78 -5.34 3.72 -1.26 -5.12 117.46 113.12 3dko n PHE 777 Ca -0.12 -0.05 -0.01 0.00 -0.05 0.00 0.00 57.45 57.22 3dko n PHE 777 Cb 0.50 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 3dko n PHE 777 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dko n GLY 778 N 1.29 -2.45 0.00 1.37 0.00 -1.26 -4.91 105.19 99.23 3dko n GLY 778 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3dko n GLY 778 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dko n PRO 799 N -0.03 0.00 -0.26 1.61 -0.04 -1.26 -5.17 135.00 129.85 3dko n PRO 799 Ca 0.01 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.54 3dko n PRO 799 Cb 0.03 0.00 0.21 0.00 -0.04 0.00 0.00 33.50 33.70 3dko n PRO 799 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3dko h VAL 800 N 0.00 0.56 0.00 0.52 2.07 -1.98 -1.22 116.25 116.19 3dko h VAL 800 Ca 0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3dko h VAL 800 Cb 0.00 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 3dko h VAL 800 CO 0.00 0.07 0.00 -2.11 0.02 0.00 0.00 177.57 175.55 3dko n ARG 801 N -5.08 0.15 0.00 1.57 1.85 -1.26 -1.83 116.66 112.07 3dko n ARG 801 Ca 0.16 0.34 0.11 0.00 -1.00 0.00 0.00 57.85 57.45 3dko n ARG 801 Cb 0.48 -1.76 -0.01 0.00 -1.05 0.00 0.00 32.46 30.12 3dko n ARG 801 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 3dko n TRP 802 N -2.05 0.00 -3.81 2.89 8.01 -0.47 -4.99 117.44 117.02 3dko n TRP 802 Ca 0.03 0.00 -0.36 0.00 -1.31 0.00 0.00 57.50 55.87 3dko n TRP 802 Cb 0.25 -0.05 -0.08 0.00 -2.01 0.00 0.00 31.31 29.42 3dko n TRP 802 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 3dko s THR 803 N -2.88 5.37 0.50 -0.99 2.01 -0.76 -3.50 115.64 115.39 3dko s THR 803 Ca 0.11 0.17 -0.22 0.00 0.31 0.00 0.00 61.69 62.06 3dko s THR 803 Cb 0.17 -3.41 -0.08 0.00 0.01 0.00 0.00 72.50 69.19 3dko s THR 803 CO 0.77 0.50 1.15 0.00 -0.69 0.00 0.00 174.62 176.35 3dko n ALA 804 N 3.01 0.82 -0.06 7.40 0.00 -1.26 -4.77 120.51 125.64 3dko n ALA 804 Ca -0.17 0.16 0.12 0.00 0.00 0.00 0.00 53.44 53.54 3dko n ALA 804 Cb 0.53 -2.20 0.52 0.00 0.00 0.00 0.00 19.45 18.29 3dko n ALA 804 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3dko h PRO 805 N 1.40 0.36 0.00 0.00 0.11 -1.95 -1.26 132.00 130.66 3dko h PRO 805 Ca -0.48 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 3dko h PRO 805 Cb 1.32 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3dko h PRO 805 CO 0.56 0.24 -0.23 1.05 -0.21 0.00 0.00 178.00 179.41 3dko h GLU 806 N 0.37 0.00 0.14 1.05 9.09 -1.91 -0.88 114.58 122.45 3dko h GLU 806 Ca 0.26 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.45 3dko h GLU 806 Cb 0.52 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.63 3dko h GLU 806 CO -0.07 0.23 -0.96 0.00 0.05 0.00 0.00 179.01 178.27 3dko h ALA 807 N 1.77 -0.05 -0.24 1.06 0.00 -1.38 -1.53 119.26 118.89 3dko h ALA 807 Ca -0.00 -0.78 0.03 0.00 0.00 0.00 0.00 54.91 54.16 3dko h ALA 807 Cb 0.91 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3dko h ALA 807 CO 0.03 0.48 0.06 0.82 0.00 0.00 0.00 179.25 180.64 3dko h ILE 808 N -0.34 0.91 0.12 0.00 2.04 -1.10 -1.83 117.51 117.31 3dko h ILE 808 Ca -0.18 -0.06 -0.29 0.00 1.00 0.00 0.00 64.86 65.33 3dko h ILE 808 Cb 1.69 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 38.51 3dko h ILE 808 CO 0.14 0.03 -1.49 1.56 0.00 0.00 0.00 178.15 178.39 3dko h GLN 809 N 0.16 0.26 -0.12 2.37 1.08 -1.29 -3.39 115.11 114.18 3dko h GLN 809 Ca 0.11 -0.45 0.00 0.00 -1.45 0.00 0.00 58.65 56.86 3dko h GLN 809 Cb 0.09 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 3dko h GLN 809 CO -0.13 1.21 0.00 0.66 -0.95 0.00 0.00 178.83 179.63 3dko n TYR 810 N -3.86 0.19 -3.62 2.96 4.01 -0.63 -4.98 117.16 111.23 3dko n TYR 810 Ca -0.25 -0.57 -0.27 0.00 -0.16 0.00 0.00 57.90 56.64 3dko n TYR 810 Cb 0.93 -0.07 0.01 0.00 -0.31 0.00 0.00 39.34 39.90 3dko n TYR 810 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3dko n ARG 811 N -0.29 -4.44 -3.07 -0.72 1.74 -0.69 -4.92 116.66 104.28 3dko n ARG 811 Ca 0.06 0.57 -0.45 0.00 -0.77 0.00 0.00 57.85 57.26 3dko n ARG 811 Cb 0.38 -5.38 -0.02 0.00 -1.02 0.00 0.00 32.46 26.42 3dko n ARG 811 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3dko s LYS 812 N -6.30 3.70 -0.23 5.56 -0.14 -0.86 -4.92 119.74 116.55 3dko s LYS 812 Ca 0.53 -2.16 -0.16 0.00 -1.36 0.00 0.00 55.97 52.83 3dko s LYS 812 Cb -0.27 -4.77 -0.04 0.00 -1.68 0.00 0.00 37.83 31.07 3dko s LYS 812 CO 0.65 -1.60 0.39 -0.06 -0.76 0.00 0.00 175.35 173.98 3dko s PHE 813 N 1.57 3.32 0.28 3.18 0.08 -1.26 -3.65 117.98 121.51 3dko s PHE 813 Ca 0.30 0.54 -0.02 0.00 0.12 0.00 0.00 56.93 57.86 3dko s PHE 813 Cb -0.06 -2.55 -0.02 0.00 -0.57 0.00 0.00 43.02 39.82 3dko s PHE 813 CO -0.08 -0.10 0.35 0.95 -0.10 0.00 0.00 175.22 176.23 3dko s THR 814 N 1.64 0.00 0.55 0.64 -4.23 -1.26 -4.99 115.64 107.98 3dko s THR 814 Ca 0.18 -1.74 0.28 0.00 -1.18 0.00 0.00 61.69 59.22 3dko s THR 814 Cb -0.15 -2.49 0.33 0.00 1.34 0.00 0.00 72.50 71.53 3dko s THR 814 CO 0.09 0.00 2.20 0.28 -0.54 0.00 0.00 174.62 176.65 3dko h SER 815 N 2.28 0.00 0.07 3.99 0.02 -1.97 -1.75 113.55 116.20 3dko h SER 815 Ca -0.29 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.51 3dko h SER 815 Cb 1.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 3dko h SER 815 CO 0.42 0.03 -0.51 0.00 -1.14 0.00 0.00 176.83 175.62 3dko h ALA 816 N 1.97 0.78 -0.04 3.77 0.00 -1.95 -1.32 119.26 122.47 3dko h ALA 816 Ca -0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 3dko h ALA 816 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3dko h ALA 816 CO 0.00 0.68 -0.52 0.66 0.00 0.00 0.00 179.25 180.07 3dko h SER 817 N 0.39 0.13 -0.01 0.00 4.64 -1.70 -2.82 113.55 114.17 3dko h SER 817 Ca 0.01 -0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.21 3dko h SER 817 Cb 1.03 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 3dko h SER 817 CO 0.09 0.63 -0.13 0.44 -0.87 0.00 0.00 176.83 177.00 3dko h ASP 818 N 0.10 0.28 -0.76 4.97 3.32 -1.02 -2.33 116.42 120.97 3dko h ASP 818 Ca 0.00 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 3dko h ASP 818 Cb 0.95 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.40 3dko h ASP 818 CO 0.07 0.44 0.25 0.58 -1.72 0.00 0.00 179.24 178.86 3dko h VAL 819 N 0.28 1.26 -0.12 -1.35 2.07 -1.01 0.13 116.25 117.51 3dko h VAL 819 Ca 0.06 -0.91 0.02 0.00 0.82 0.00 0.00 66.70 66.69 3dko h VAL 819 Cb 0.40 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3dko h VAL 819 CO 0.02 0.36 -0.01 -0.25 0.02 0.00 0.00 177.57 177.71 3dko h TRP 820 N 1.13 -0.02 -0.74 1.57 2.91 -1.27 -1.52 115.95 118.00 3dko h TRP 820 Ca 0.25 0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.35 3dko h TRP 820 Cb 0.30 0.03 -0.06 0.00 -0.51 0.00 0.00 29.16 28.91 3dko h TRP 820 CO 0.03 -0.03 0.41 0.77 -1.03 0.00 0.00 178.44 178.59 3dko h SER 821 N 0.03 0.58 -0.66 2.65 0.02 -1.03 -1.79 113.55 113.35 3dko h SER 821 Ca 0.06 0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.10 3dko h SER 821 Cb 0.07 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.49 3dko h SER 821 CO -0.11 0.35 0.37 0.22 -1.14 0.00 0.00 176.83 176.53 3dko h TYR 822 N 0.72 0.68 -0.96 3.45 3.20 -0.35 -0.19 116.97 123.51 3dko h TYR 822 Ca 0.35 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.34 3dko h TYR 822 Cb 0.28 -0.21 -0.08 0.00 1.54 0.00 0.00 36.73 38.27 3dko h TYR 822 CO -0.08 0.34 0.60 0.78 -1.64 0.00 0.00 178.16 178.16 3dko h GLY 823 N 0.69 1.52 0.95 1.82 0.00 -0.43 0.15 103.07 107.77 3dko h GLY 823 Ca 0.29 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 3dko h GLY 823 CO -0.17 0.22 0.19 -2.22 0.00 0.00 0.00 176.54 174.56 3dko h ILE 824 N 1.02 1.18 -0.63 2.60 1.08 -0.78 -2.27 117.51 119.70 3dko h ILE 824 Ca 0.45 -0.51 0.07 0.00 -0.39 0.00 0.00 64.86 64.48 3dko h ILE 824 Cb 0.35 0.77 -0.06 0.00 -3.07 0.00 0.00 36.82 34.80 3dko h ILE 824 CO -0.23 0.19 0.32 0.58 -0.69 0.00 0.00 178.15 178.33 3dko h VAL 825 N 0.51 0.91 -0.54 1.67 2.07 -0.07 0.59 116.25 121.39 3dko h VAL 825 Ca 0.14 -0.20 0.10 0.00 0.82 0.00 0.00 66.70 67.55 3dko h VAL 825 Cb 0.13 0.27 -0.08 0.00 -1.52 0.00 0.00 31.29 30.09 3dko h VAL 825 CO -0.02 0.11 0.10 0.24 0.02 0.00 0.00 177.57 178.03 3dko h MET 826 N 0.59 0.23 -0.25 1.57 2.86 -0.54 -0.25 114.93 119.15 3dko h MET 826 Ca 0.29 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.90 3dko h MET 826 Cb 0.24 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 3dko h MET 826 CO -0.21 0.15 0.07 2.35 1.06 0.00 0.00 176.91 180.33 3dko h TRP 827 N 0.24 0.41 -0.75 -0.22 7.01 -0.66 -1.54 115.95 120.44 3dko h TRP 827 Ca 0.28 -0.05 0.12 0.00 2.11 0.00 0.00 58.89 61.36 3dko h TRP 827 Cb 0.40 -0.12 -0.08 0.00 -2.10 0.00 0.00 29.16 27.25 3dko h TRP 827 CO -0.24 0.47 0.34 0.93 -2.79 0.00 0.00 178.44 177.15 3dko h GLU 828 N 0.23 0.51 -0.15 2.65 5.08 -0.57 -1.43 114.58 120.91 3dko h GLU 828 Ca 0.08 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3dko h GLU 828 Cb 0.26 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3dko h GLU 828 CO -0.00 0.34 -0.04 0.28 -1.00 0.00 0.00 179.01 178.59 3dko h VAL 829 N 0.53 1.29 0.00 3.13 2.07 -0.80 0.35 116.25 122.82 3dko h VAL 829 Ca 0.39 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.93 3dko h VAL 829 Cb 0.52 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 3dko h VAL 829 CO -0.34 0.29 0.00 0.24 0.02 0.00 0.00 177.57 177.78 3dko h MET 830 N -0.02 0.00 -0.63 1.57 2.86 -1.02 -1.29 114.93 116.40 3dko h MET 830 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3dko h MET 830 Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 3dko h MET 830 CO 0.01 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 176.85 3dko n SER 831 N -2.65 3.69 -3.62 1.22 3.41 -0.56 -4.68 113.62 110.43 3dko n SER 831 Ca 0.02 -2.01 -0.22 0.00 -0.26 0.00 0.00 58.87 56.41 3dko n SER 831 Cb 0.31 -0.42 0.06 0.00 -0.26 0.00 0.00 64.21 63.90 3dko n SER 831 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3dko n TYR 832 N 1.33 -2.24 -1.01 7.33 4.01 -0.49 -3.32 117.16 122.78 3dko n TYR 832 Ca 0.21 0.92 0.00 0.00 -0.16 0.00 0.00 57.90 58.87 3dko n TYR 832 Cb 0.57 -4.69 0.00 0.00 -0.31 0.00 0.00 39.34 34.91 3dko n TYR 832 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dko n GLY 833 N -1.51 0.46 3.76 2.72 0.00 0.12 -3.00 105.19 107.73 3dko n GLY 833 Ca -0.19 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 3dko n GLY 833 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dko s GLU 834 N -2.03 2.79 -0.03 1.61 2.56 -1.21 -4.86 118.70 117.53 3dko s GLU 834 Ca 0.00 1.54 -0.30 0.00 0.00 0.00 0.00 54.97 56.21 3dko s GLU 834 Cb 0.00 -1.94 -0.04 0.00 2.00 0.00 0.00 34.13 34.15 3dko s GLU 834 CO 0.00 -1.28 1.30 0.50 -0.56 0.00 0.00 175.26 175.21 3dko s ARG 835 N -3.84 4.32 0.16 4.30 3.52 -1.26 -4.74 118.95 121.41 3dko s ARG 835 Ca 0.70 1.82 -0.34 0.00 -0.13 0.00 0.00 55.73 57.78 3dko s ARG 835 Cb -0.24 -3.56 -0.14 0.00 -1.56 0.00 0.00 34.95 29.45 3dko s ARG 835 CO 0.39 -0.51 1.54 -2.30 -0.81 0.00 0.00 175.30 173.61 3dko n PRO 836 N 5.25 2.05 -1.36 5.12 -0.02 -1.26 -0.92 135.00 143.86 3dko n PRO 836 Ca 0.12 0.74 -0.12 0.00 -2.02 0.00 0.00 63.50 62.21 3dko n PRO 836 Cb 0.45 -2.49 -0.05 0.00 -0.02 0.00 0.00 33.50 31.39 3dko n PRO 836 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3dko n TYR 837 N 3.19 0.00 0.00 6.00 4.01 -1.26 -4.82 117.16 124.28 3dko n TYR 837 Ca 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 3dko n TYR 837 Cb 0.28 -2.65 0.00 0.00 -0.31 0.00 0.00 39.34 36.67 3dko n TYR 837 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 3dko n TRP 838 N -2.37 0.00 0.57 -0.72 8.01 -0.10 -1.36 117.44 121.47 3dko n TRP 838 Ca -0.12 0.00 0.10 0.00 -1.31 0.00 0.00 57.50 56.17 3dko n TRP 838 Cb 0.54 0.00 0.27 0.00 -2.01 0.00 0.00 31.31 30.11 3dko n TRP 838 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 3dko n ASP 839 N 5.43 2.67 -4.76 -0.99 8.00 -1.26 -4.92 116.55 120.72 3dko n ASP 839 Ca 0.00 -1.92 -0.41 0.00 0.71 0.00 0.00 54.79 53.17 3dko n ASP 839 Cb 0.00 -0.26 -0.01 0.00 -0.02 0.00 0.00 41.12 40.83 3dko n ASP 839 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3dko s MET 840 N -1.48 4.19 0.80 -1.24 -1.94 -0.46 -4.99 119.30 114.17 3dko s MET 840 Ca 0.35 2.46 -0.11 0.00 -1.71 0.00 0.00 55.69 56.68 3dko s MET 840 Cb 0.19 -3.03 0.08 0.00 2.01 0.00 0.00 34.83 34.08 3dko s MET 840 CO 0.27 -0.48 1.12 -1.54 -0.01 0.00 0.00 175.02 174.38 3dko s SER 841 N 0.10 4.04 0.19 3.03 1.04 -1.26 -4.79 113.70 116.05 3dko s SER 841 Ca 0.57 2.02 -0.12 0.00 0.48 0.00 0.00 55.95 58.90 3dko s SER 841 Cb -0.45 -2.55 0.19 0.00 0.10 0.00 0.00 66.02 63.32 3dko s SER 841 CO 0.53 -2.35 1.75 0.78 0.98 0.00 0.00 173.24 174.92 3dko h ASN 842 N -1.14 0.20 -0.52 7.02 2.35 -1.99 -0.13 115.58 121.37 3dko h ASN 842 Ca -0.44 0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.33 3dko h ASN 842 Cb 1.25 0.04 -0.03 0.00 0.05 0.00 0.00 38.32 39.64 3dko h ASN 842 CO 0.48 0.14 0.19 1.56 -1.65 0.00 0.00 177.43 178.15 3dko h GLN 843 N 0.37 0.84 -0.05 0.81 1.08 -2.00 -1.75 115.11 114.42 3dko h GLN 843 Ca 0.25 -0.14 -0.12 0.00 -1.45 0.00 0.00 58.65 57.19 3dko h GLN 843 Cb 0.27 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 3dko h GLN 843 CO -0.25 0.71 -0.54 -0.44 -0.95 0.00 0.00 178.83 177.36 3dko h ASP 844 N 0.82 0.15 0.35 1.46 3.32 -1.77 -1.90 116.42 118.84 3dko h ASP 844 Ca 0.19 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 3dko h ASP 844 Cb 0.21 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3dko h ASP 844 CO -0.01 0.66 -0.17 0.58 -1.72 0.00 0.00 179.24 178.58 3dko h VAL 845 N 0.10 0.67 -0.47 -1.35 2.07 -0.51 -1.46 116.25 115.30 3dko h VAL 845 Ca -0.00 -0.34 0.09 0.00 0.82 0.00 0.00 66.70 67.27 3dko h VAL 845 Cb 0.98 0.84 -0.09 0.00 -1.52 0.00 0.00 31.29 31.51 3dko h VAL 845 CO 0.08 0.07 -0.13 0.40 0.02 0.00 0.00 177.57 178.01 3dko h ILE 846 N -0.66 0.51 -0.03 4.57 2.04 -1.26 -0.38 117.51 122.29 3dko h ILE 846 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3dko h ILE 846 Cb 0.47 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 3dko h ILE 846 CO 0.08 0.00 0.02 0.11 0.00 0.00 0.00 178.15 178.36 3dko h LYS 847 N -0.01 0.04 -0.55 2.37 1.57 -1.35 -0.90 116.57 117.74 3dko h LYS 847 Ca 0.23 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.03 3dko h LYS 847 Cb 0.36 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 3dko h LYS 847 CO -0.49 0.04 0.33 0.00 -0.57 0.00 0.00 179.45 178.76 3dko h ALA 848 N 0.99 0.70 -0.60 3.86 0.00 -0.87 -0.72 119.26 122.63 3dko h ALA 848 Ca 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dko h ALA 848 Cb 0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3dko h ALA 848 CO -0.00 0.05 0.36 0.82 0.00 0.00 0.00 179.25 180.48 3dko h ILE 849 N 0.66 1.17 -0.65 0.00 2.04 -0.87 0.83 117.51 120.70 3dko h ILE 849 Ca 0.22 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.73 3dko h ILE 849 Cb 0.01 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.41 3dko h ILE 849 CO -0.09 0.18 0.43 -0.33 0.00 0.00 0.00 178.15 178.34 3dko h GLU 850 N 0.81 0.75 -0.00 2.37 5.08 -0.69 -1.83 114.58 121.07 3dko h GLU 850 Ca 0.21 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3dko h GLU 850 Cb -0.03 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.05 3dko h GLU 850 CO -0.04 0.50 -0.02 -0.85 -1.00 0.00 0.00 179.01 177.60 3dko n GLU 851 N -4.46 0.60 -0.00 2.33 0.28 -0.32 -4.89 120.64 114.18 3dko n GLU 851 Ca 0.08 -0.05 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 3dko n GLU 851 Cb 0.13 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.51 3dko n GLU 851 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3dko n GLY 852 N 1.22 0.88 3.75 -1.84 0.00 -0.69 -5.08 105.19 103.44 3dko n GLY 852 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3dko n GLY 852 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3dko s TYR 853 N -2.00 3.07 0.02 1.61 6.14 0.21 -4.99 117.35 121.41 3dko s TYR 853 Ca 0.00 1.12 0.02 0.00 0.64 0.00 0.00 57.07 58.86 3dko s TYR 853 Cb 0.00 -3.76 -0.01 0.00 0.42 0.00 0.00 41.96 38.61 3dko s TYR 853 CO 0.00 -2.39 -0.08 1.03 0.64 0.00 0.00 175.55 174.75 3dko s ARG 854 N -0.54 0.56 0.35 4.97 1.81 -1.26 -4.32 118.95 120.53 3dko s ARG 854 Ca 0.57 -0.49 -0.28 0.00 -1.72 0.00 0.00 55.73 53.81 3dko s ARG 854 Cb -0.40 -0.47 -0.11 0.00 -0.45 0.00 0.00 34.95 33.51 3dko s ARG 854 CO 0.44 0.11 1.45 1.28 -0.68 0.00 0.00 175.30 177.91 3dko n LEU 855 N 2.24 4.40 -4.87 2.53 4.77 -1.26 -4.99 117.00 119.83 3dko n LEU 855 Ca -0.17 1.21 -0.29 0.00 -0.03 0.00 0.00 56.01 56.73 3dko n LEU 855 Cb 0.56 -1.58 0.09 0.00 -2.33 0.00 0.00 43.42 40.16 3dko n LEU 855 CO 0.23 -0.00 0.77 -2.16 -1.33 0.00 0.00 177.39 174.89 3dko s PRO 856 N -1.80 2.00 0.10 3.23 0.04 -1.26 -4.99 135.00 132.31 3dko s PRO 856 Ca 0.55 0.23 -0.31 0.00 0.04 0.00 0.00 61.00 61.52 3dko s PRO 856 Cb -0.50 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.00 3dko s PRO 856 CO 0.61 -1.60 1.82 0.00 0.04 0.00 0.00 177.00 177.87 3dko s ALA 857 N -3.47 3.72 0.96 8.56 0.00 -1.26 -4.99 121.76 125.29 3dko s ALA 857 Ca 0.62 1.38 -0.12 0.00 0.00 0.00 0.00 51.96 53.84 3dko s ALA 857 Cb -0.12 -3.76 0.11 0.00 0.00 0.00 0.00 23.12 19.34 3dko s ALA 857 CO 0.51 -1.26 0.76 -2.30 0.00 0.00 0.00 175.76 173.46 3dko n PRO 858 N 5.97 -0.58 -1.66 0.00 -0.02 -1.26 -4.86 135.00 132.59 3dko n PRO 858 Ca 0.18 -0.12 -0.46 0.00 -2.02 0.00 0.00 63.50 61.08 3dko n PRO 858 Cb 0.39 -2.10 -0.04 0.00 -0.02 0.00 0.00 33.50 31.73 3dko n PRO 858 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 3dko n MET 859 N -3.08 1.93 -1.03 -0.52 0.00 -1.26 -1.29 117.12 111.86 3dko n MET 859 Ca 0.09 0.69 -0.01 0.00 -0.00 0.00 0.00 57.70 58.46 3dko n MET 859 Cb 0.53 -2.38 -0.00 0.00 0.00 0.00 0.00 33.22 31.37 3dko n MET 859 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 3dko n ASP 860 N 2.66 -4.82 -4.65 6.12 8.00 -1.26 -4.91 116.55 117.69 3dko n ASP 860 Ca 0.15 0.02 -0.41 0.00 0.71 0.00 0.00 54.79 55.26 3dko n ASP 860 Cb 0.29 -2.41 -0.04 0.00 -0.02 0.00 0.00 41.12 38.93 3dko n ASP 860 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dko s PRO 862 N 2.57 3.14 0.29 0.00 0.02 -1.26 -4.82 135.00 134.95 3dko s PRO 862 Ca 0.35 2.14 0.01 0.00 0.02 0.00 0.00 61.00 63.52 3dko s PRO 862 Cb -0.16 -2.21 0.52 0.00 0.02 0.00 0.00 34.50 32.67 3dko s PRO 862 CO 0.09 -1.16 1.88 0.00 -0.33 0.00 0.00 177.00 177.48 3dko h ALA 863 N 1.40 1.51 -0.05 -1.55 0.00 -1.76 -2.38 119.26 116.43 3dko h ALA 863 Ca -0.51 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 3dko h ALA 863 Cb 1.30 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3dko h ALA 863 CO 0.57 0.31 -0.47 0.78 0.00 0.00 0.00 179.25 180.44 3dko h GLY 864 N 1.04 0.12 0.83 0.00 0.00 0.62 0.15 103.07 105.83 3dko h GLY 864 Ca 0.44 -0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.59 3dko h GLY 864 CO -0.19 0.11 -0.08 1.41 0.00 0.00 0.00 176.54 177.79 3dko h LEU 865 N 0.09 0.46 -0.84 3.11 3.38 -1.39 -2.27 115.31 117.85 3dko h LEU 865 Ca 0.00 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 3dko h LEU 865 Cb 0.87 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 3dko h LEU 865 CO 0.07 0.74 0.45 -0.74 0.09 0.00 0.00 178.44 179.05 3dko h HIS 866 N 0.17 1.17 -0.71 1.13 2.76 -1.15 -1.88 115.15 116.64 3dko h HIS 866 Ca 0.05 -0.04 0.10 0.00 -2.20 0.00 0.00 60.37 58.28 3dko h HIS 866 Cb 0.56 -0.37 -0.07 0.00 1.55 0.00 0.00 27.41 29.07 3dko h HIS 866 CO 0.06 0.82 0.34 0.37 -1.30 0.00 0.00 177.93 178.23 3dko h GLN 867 N 1.18 0.57 -0.81 5.26 5.75 -0.67 0.60 115.11 126.99 3dko h GLN 867 Ca 0.29 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.74 3dko h GLN 867 Cb 0.05 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.44 3dko h GLN 867 CO -0.04 0.37 0.42 1.25 -2.65 0.00 0.00 178.83 178.18 3dko h LEU 868 N 0.58 1.02 -0.28 -2.39 5.85 -0.97 -0.12 115.31 119.00 3dko h LEU 868 Ca 0.35 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 59.01 3dko h LEU 868 Cb 0.38 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3dko h LEU 868 CO -0.28 0.84 0.05 0.24 -0.34 0.00 0.00 178.44 178.95 3dko h MET 869 N 1.14 0.15 -0.91 1.25 2.86 -0.33 -1.55 114.93 117.54 3dko h MET 869 Ca 0.28 -0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.99 3dko h MET 869 Cb 0.06 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.62 3dko h MET 869 CO -0.04 0.10 0.57 -0.07 1.06 0.00 0.00 176.91 178.53 3dko h LEU 870 N 0.16 0.88 -0.65 1.22 3.38 -0.01 -1.66 115.31 118.62 3dko h LEU 870 Ca 0.13 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3dko h LEU 870 Cb 0.14 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3dko h LEU 870 CO -0.18 0.54 0.35 0.44 0.09 0.00 0.00 178.44 179.68 3dko h ASP 871 N 1.00 0.82 0.14 -0.43 3.32 -0.65 -1.87 116.42 118.75 3dko h ASP 871 Ca 0.41 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 3dko h ASP 871 Cb 0.25 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 3dko h ASP 871 CO -0.20 0.68 -0.06 0.00 -1.72 0.00 0.00 179.24 177.94 3dko n TRP 873 N -3.84 2.47 -2.06 0.00 8.01 -0.71 -3.67 117.44 117.64 3dko n TRP 873 Ca -0.03 -1.15 -0.42 0.00 -1.31 0.00 0.00 57.50 54.60 3dko n TRP 873 Cb 0.15 -0.68 -0.03 0.00 -2.01 0.00 0.00 31.31 28.74 3dko n TRP 873 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 3dko s GLN 874 N -2.97 4.28 0.25 -0.99 -1.52 -1.09 -4.91 119.66 112.71 3dko s GLN 874 Ca 0.56 2.23 -0.04 0.00 -1.95 0.00 0.00 55.36 56.16 3dko s GLN 874 Cb 0.44 -3.17 0.41 0.00 -0.22 0.00 0.00 33.01 30.48 3dko s GLN 874 CO 0.14 -0.46 1.82 -0.22 -0.25 0.00 0.00 175.29 176.32 3dko h LYS 875 N 6.04 0.82 -5.75 2.91 3.11 -1.93 -3.37 116.57 118.40 3dko h LYS 875 Ca -0.44 -0.05 -0.62 0.00 -2.81 0.00 0.00 60.65 56.73 3dko h LYS 875 Cb 1.21 -0.19 -0.13 0.00 -1.00 0.00 0.00 32.23 32.13 3dko h LYS 875 CO 0.84 0.54 0.34 -1.21 -2.81 0.00 0.00 179.45 177.15 3dko s GLU 876 N -6.02 3.51 0.40 1.90 0.41 -1.26 -4.92 118.70 112.71 3dko s GLU 876 Ca -0.12 0.00 0.11 0.00 -0.41 0.00 0.00 54.97 54.55 3dko s GLU 876 Cb 0.20 -3.90 0.91 0.00 -1.78 0.00 0.00 34.13 29.56 3dko s GLU 876 CO 0.79 -1.02 1.95 0.07 -0.49 0.00 0.00 175.26 176.55 3dko h ARG 877 N 8.82 0.54 0.00 1.61 0.11 -1.96 0.66 114.38 124.16 3dko h ARG 877 Ca -0.25 -0.03 -0.00 0.00 0.10 0.00 0.00 59.98 59.79 3dko h ARG 877 Cb 1.09 -0.12 -0.00 0.00 1.11 0.00 0.00 29.97 32.05 3dko h ARG 877 CO 0.94 0.36 -0.02 0.00 0.10 0.00 0.00 179.97 181.35 3dko h ALA 878 N 1.65 1.19 0.00 0.08 0.00 -1.93 -2.09 119.26 118.16 3dko h ALA 878 Ca 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3dko h ALA 878 Cb 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3dko h ALA 878 CO -0.11 0.02 -0.44 0.39 0.00 0.00 0.00 179.25 179.12 3dko n GLU 879 N -3.39 0.23 -2.31 0.00 -0.58 0.22 -4.90 120.64 109.91 3dko n GLU 879 Ca -0.02 0.09 -0.37 0.00 -0.42 0.00 0.00 57.16 56.44 3dko n GLU 879 Cb 0.12 -1.67 -0.02 0.00 -0.57 0.00 0.00 31.44 29.30 3dko n GLU 879 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3dko s ARG 880 N -3.12 3.90 0.79 3.49 0.52 -0.79 -4.96 118.95 118.79 3dko s ARG 880 Ca 0.08 1.75 -0.12 0.00 -0.52 0.00 0.00 55.73 56.93 3dko s ARG 880 Cb 0.14 -2.50 0.07 0.00 0.52 0.00 0.00 34.95 33.18 3dko s ARG 880 CO 0.68 -0.42 1.12 -1.25 0.02 0.00 0.00 175.30 175.45 3dko s PRO 881 N -2.56 1.95 0.51 3.54 0.04 -1.26 -5.04 135.00 132.19 3dko s PRO 881 Ca 0.61 1.39 -0.06 0.00 0.04 0.00 0.00 61.00 62.97 3dko s PRO 881 Cb -0.28 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 3dko s PRO 881 CO 0.35 -1.91 0.83 0.15 0.04 0.00 0.00 177.00 176.46 3dko s LYS 882 N -4.59 3.50 0.30 4.56 3.01 -1.26 -4.92 119.74 120.34 3dko s LYS 882 Ca 0.65 0.27 0.00 0.00 -1.01 0.00 0.00 55.97 55.88 3dko s LYS 882 Cb -0.21 -2.32 0.51 0.00 -1.01 0.00 0.00 37.83 34.81 3dko s LYS 882 CO 0.53 -0.30 1.93 0.74 0.51 0.00 0.00 175.35 178.76 3dko h PHE 883 N 0.10 1.03 -0.77 3.18 0.04 -1.94 -0.34 116.94 118.25 3dko h PHE 883 Ca -0.46 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.33 3dko h PHE 883 Cb 1.21 -0.34 -0.04 0.00 2.20 0.00 0.00 35.95 38.98 3dko h PHE 883 CO 0.59 0.57 0.48 1.05 -0.60 0.00 0.00 178.31 180.40 3dko h GLU 884 N 1.04 1.04 -0.31 1.51 4.11 -1.93 0.49 114.58 120.53 3dko h GLU 884 Ca 0.36 -0.08 -0.17 0.00 0.07 0.00 0.00 59.36 59.54 3dko h GLU 884 Cb 0.11 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 3dko h GLU 884 CO -0.12 0.72 -0.46 1.96 0.07 0.00 0.00 179.01 181.17 3dko h GLN 885 N 1.06 0.82 0.21 1.06 4.20 -1.65 -2.25 115.11 118.57 3dko h GLN 885 Ca 0.28 -0.47 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 3dko h GLN 885 Cb -0.06 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3dko h GLN 885 CO -0.05 1.11 -0.16 0.82 -0.67 0.00 0.00 178.83 179.87 3dko h ILE 886 N 0.66 0.64 -0.49 2.54 2.04 -0.38 -0.75 117.51 121.76 3dko h ILE 886 Ca 0.04 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.98 3dko h ILE 886 Cb 1.05 0.64 -0.07 0.00 -0.74 0.00 0.00 36.82 37.70 3dko h ILE 886 CO 0.10 0.00 0.08 0.58 0.00 0.00 0.00 178.15 178.92 3dko h VAL 887 N -0.38 0.71 -0.52 1.67 2.07 -0.94 -0.92 116.25 117.94 3dko h VAL 887 Ca -0.01 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.50 3dko h VAL 887 Cb 0.34 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 3dko h VAL 887 CO -0.01 0.04 0.21 1.23 0.02 0.00 0.00 177.57 179.05 3dko h GLY 888 N 0.22 0.70 0.91 2.17 0.00 -1.11 0.55 103.07 106.51 3dko h GLY 888 Ca 0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 3dko h GLY 888 CO -0.34 0.03 0.11 -2.22 0.00 0.00 0.00 176.54 174.12 3dko h ILE 889 N 0.40 1.18 -0.73 2.60 2.04 -0.52 -2.40 117.51 120.09 3dko h ILE 889 Ca 0.25 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 3dko h ILE 889 Cb 0.24 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 3dko h ILE 889 CO -0.23 0.19 0.30 -0.07 0.00 0.00 0.00 178.15 178.34 3dko h LEU 890 N 0.30 1.00 -0.78 1.44 3.38 -0.84 -2.38 115.31 117.43 3dko h LEU 890 Ca 0.09 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.97 3dko h LEU 890 Cb 0.20 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 3dko h LEU 890 CO -0.01 0.88 0.47 0.44 0.09 0.00 0.00 178.44 180.32 3dko h ASP 891 N 1.06 0.74 -0.63 -0.43 3.32 -0.74 0.36 116.42 120.10 3dko h ASP 891 Ca 0.25 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 3dko h ASP 891 Cb 0.20 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 3dko h ASP 891 CO -0.02 0.48 0.32 0.11 -1.72 0.00 0.00 179.24 178.41 3dko h LYS 892 N 0.88 0.92 -0.42 3.56 1.57 -1.07 0.45 116.57 122.44 3dko h LYS 892 Ca 0.34 -0.11 -0.15 0.00 -1.87 0.00 0.00 60.65 58.85 3dko h LYS 892 Cb 0.14 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3dko h LYS 892 CO -0.16 0.70 -0.31 0.52 -0.57 0.00 0.00 179.45 179.62 3dko h MET 893 N 0.92 0.96 -0.31 3.15 2.86 -0.84 0.92 114.93 122.59 3dko h MET 893 Ca 0.23 -0.47 -0.09 0.00 -2.06 0.00 0.00 59.70 57.31 3dko h MET 893 Cb 0.08 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 3dko h MET 893 CO -0.03 1.13 -0.20 0.82 1.06 0.00 0.00 176.91 179.69 3dko h ILE 894 N 0.80 1.26 -0.03 -1.22 2.04 -0.52 -2.41 117.51 117.42 3dko h ILE 894 Ca 0.08 -1.21 -0.06 0.00 1.00 0.00 0.00 64.86 64.67 3dko h ILE 894 Cb 0.91 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 3dko h ILE 894 CO 0.08 0.40 -0.20 -0.09 0.00 0.00 0.00 178.15 178.34 3dko h ARG 895 N 0.52 0.18 -3.53 2.37 2.43 -0.77 -3.40 114.38 112.19 3dko h ARG 895 Ca 0.08 -0.16 -0.63 0.00 -0.81 0.00 0.00 59.98 58.46 3dko h ARG 895 Cb 0.63 0.04 -0.40 0.00 -0.42 0.00 0.00 29.97 29.81 3dko h ARG 895 CO 0.04 0.84 -0.70 1.21 -1.51 0.00 0.00 179.97 179.86 3dko s ASN 896 N -6.21 4.16 0.56 -3.80 2.47 0.31 -5.00 114.94 107.42 3dko s ASN 896 Ca -0.16 -2.55 0.27 0.00 0.42 0.00 0.00 52.86 50.84 3dko s ASN 896 Cb 0.02 -1.35 1.47 0.00 -1.45 0.00 0.00 41.25 39.94 3dko s ASN 896 CO 0.74 -0.29 1.99 -0.65 -3.72 0.00 0.00 177.10 175.16 3dko h PRO 897 N 6.99 0.00 0.00 0.43 0.11 -1.65 -1.13 132.00 136.74 3dko h PRO 897 Ca -0.06 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.00 3dko h PRO 897 Cb 0.94 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 3dko h PRO 897 CO 0.56 0.00 -0.25 -0.91 -0.21 0.00 0.00 178.00 177.20 3dko h ASN 898 N 0.00 0.00 0.00 -2.05 2.35 -1.93 -2.76 115.58 111.19 3dko h ASN 898 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3dko h ASN 898 Cb 0.98 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.35 3dko h ASN 898 CO -0.00 0.25 0.00 -1.54 -1.65 0.00 0.00 177.43 174.48 3dko n SER 899 N -4.07 0.00 0.13 5.81 3.41 -0.43 -2.33 113.62 116.13 3dko n SER 899 Ca -0.02 -0.94 0.12 0.00 -0.26 0.00 0.00 58.87 57.78 3dko n SER 899 Cb 0.31 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.46 3dko n SER 899 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dko h ALA 900 N 3.06 0.79 0.00 7.33 0.00 -1.65 -3.31 119.26 125.48 3dko h ALA 900 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dko h ALA 900 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3dko h ALA 900 CO 0.00 0.00 -0.77 0.72 0.00 0.00 0.00 179.25 179.20 3dko n HIS 901 N -2.55 0.18 -0.79 0.00 -0.00 -0.98 0.11 115.22 111.19 3dko n HIS 901 Ca 0.03 0.05 0.00 0.00 -0.00 0.00 0.00 57.72 57.81 3dko n HIS 901 Cb 0.49 -0.35 0.00 0.00 -0.00 0.00 0.00 29.99 30.12 3dko n HIS 901 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06