#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vwx s GLU 609 N 0.00 4.50 -0.19 1.64 2.56 -1.26 -0.80 118.70 125.14 2vwx s GLU 609 Ca 0.00 1.47 -0.05 0.00 0.00 0.00 0.00 54.97 56.39 2vwx s GLU 609 Cb 0.00 -3.47 -0.03 0.00 2.00 0.00 0.00 34.13 32.63 2vwx s GLU 609 CO 0.00 -0.16 -0.00 0.42 -0.56 0.00 0.00 175.26 174.96 2vwx s ILE 610 N 1.32 4.00 0.05 -3.70 1.01 0.44 -4.90 121.20 119.42 2vwx s ILE 610 Ca 0.52 -0.30 -0.33 0.00 0.00 0.00 0.00 60.65 60.54 2vwx s ILE 610 Cb -0.22 -2.80 -0.12 0.00 0.01 0.00 0.00 42.46 39.34 2vwx s ILE 610 CO 0.25 0.44 1.81 -0.67 0.00 0.00 0.00 174.94 176.77 2vwx n ASP 611 N 4.08 3.62 0.27 3.58 4.64 -1.26 -4.60 116.55 126.87 2vwx n ASP 611 Ca -0.17 1.00 0.18 0.00 -1.38 0.00 0.00 54.79 54.42 2vwx n ASP 611 Cb 0.52 -1.45 0.92 0.00 -1.04 0.00 0.00 41.12 40.07 2vwx n ASP 611 CO 0.00 0.00 0.00 1.62 -0.82 0.00 0.00 177.20 178.00 2vwx h VAL 612 N 4.81 0.25 0.00 5.18 3.04 -1.95 0.11 116.25 127.68 2vwx h VAL 612 Ca -0.47 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 2vwx h VAL 612 Cb 1.25 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 31.36 2vwx h VAL 612 CO 0.93 0.00 0.00 -1.54 -1.01 0.00 0.00 177.57 175.95 2vwx n SER 613 N -3.41 0.69 -0.08 3.17 3.41 -1.26 -2.16 113.62 113.98 2vwx n SER 613 Ca -0.00 0.69 0.13 0.00 -0.26 0.00 0.00 58.87 59.43 2vwx n SER 613 Cb 0.28 -0.83 0.44 0.00 -0.26 0.00 0.00 64.21 63.84 2vwx n SER 613 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2vwx n TYR 614 N -2.28 0.00 -4.65 7.33 4.01 0.37 -4.87 117.16 117.07 2vwx n TYR 614 Ca 0.01 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.42 2vwx n TYR 614 Cb 0.20 -0.25 -0.13 0.00 -0.31 0.00 0.00 39.34 38.85 2vwx n TYR 614 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2vwx s VAL 615 N -2.76 3.46 -0.13 -0.72 1.01 -0.92 -0.56 120.40 119.78 2vwx s VAL 615 Ca 0.19 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.64 2vwx s VAL 615 Cb 0.19 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 34.14 2vwx s VAL 615 CO 0.57 0.54 -0.12 -0.75 0.00 0.00 0.00 175.10 175.34 2vwx s LYS 616 N -0.10 2.06 -0.11 2.72 2.20 -0.36 -5.00 119.74 121.14 2vwx s LYS 616 Ca 0.00 -0.47 -0.22 0.00 -0.36 0.00 0.00 55.97 54.92 2vwx s LYS 616 Cb -0.13 -1.92 -0.03 0.00 -1.51 0.00 0.00 37.83 34.24 2vwx s LYS 616 CO 0.03 -0.22 0.65 0.42 -0.36 0.00 0.00 175.35 175.88 2vwx s ILE 617 N 1.47 5.05 -0.26 5.43 1.01 -1.26 -0.89 121.20 131.75 2vwx s ILE 617 Ca 0.03 1.31 -0.02 0.00 0.00 0.00 0.00 60.65 61.96 2vwx s ILE 617 Cb -0.13 -3.98 -0.16 0.00 0.01 0.00 0.00 42.46 38.19 2vwx s ILE 617 CO -0.09 0.22 -0.23 -0.62 0.00 0.00 0.00 174.94 174.22 2vwx n GLU 618 N 4.17 0.64 -3.59 2.79 1.02 0.59 -4.98 120.64 121.28 2vwx n GLU 618 Ca -0.02 0.19 -0.13 0.00 -0.02 0.00 0.00 57.16 57.18 2vwx n GLU 618 Cb 0.51 -1.52 -0.06 0.00 -0.02 0.00 0.00 31.44 30.34 2vwx n GLU 618 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2vwx s GLU 619 N -2.52 0.75 -0.16 3.49 2.12 -1.02 -5.00 118.70 116.36 2vwx s GLU 619 Ca -0.35 0.48 -0.25 0.00 0.36 0.00 0.00 54.97 55.20 2vwx s GLU 619 Cb 0.10 0.36 -0.02 0.00 0.26 0.00 0.00 34.13 34.84 2vwx s GLU 619 CO 0.58 -0.18 0.82 0.08 -0.54 0.00 0.00 175.26 176.02 2vwx s VAL 620 N -0.47 4.90 -0.26 3.70 1.01 -1.26 -0.99 120.40 127.02 2vwx s VAL 620 Ca -0.03 1.61 0.03 0.00 0.00 0.00 0.00 61.98 63.59 2vwx s VAL 620 Cb -0.02 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 32.23 2vwx s VAL 620 CO 0.02 0.04 0.37 2.30 0.00 0.00 0.00 175.10 177.84 2vwx n ILE 621 N 4.67 0.00 -3.90 2.22 -5.35 0.02 -4.93 119.36 112.09 2vwx n ILE 621 Ca 0.04 -0.47 0.01 0.00 -0.27 0.00 0.00 62.75 62.06 2vwx n ILE 621 Cb 0.49 1.03 0.01 0.00 -1.74 0.00 0.00 39.64 39.43 2vwx n ILE 621 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2vwx n GLY 622 N 0.57 0.48 2.95 3.28 0.00 -0.78 -4.98 105.19 106.71 2vwx n GLY 622 Ca 0.01 -1.00 -0.19 0.00 0.00 0.00 0.00 46.02 44.84 2vwx n GLY 622 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vwx s ALA 623 N -1.69 0.65 0.29 4.61 0.00 -1.26 -1.50 121.76 122.86 2vwx s ALA 623 Ca 0.19 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.96 2vwx s ALA 623 Cb -0.01 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.85 2vwx s ALA 623 CO 0.01 0.09 0.12 0.41 0.00 0.00 0.00 175.76 176.39 2vwx n GLY 624 N 3.40 3.31 0.36 0.00 0.00 0.24 -4.82 105.19 107.69 2vwx n GLY 624 Ca -0.19 -2.27 0.08 0.00 0.00 0.00 0.00 46.02 43.64 2vwx n GLY 624 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2vwx h GLU 625 N 0.00 0.93 -0.03 1.61 4.81 -1.99 -3.15 114.58 116.76 2vwx h GLU 625 Ca -0.21 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 2vwx h GLU 625 Cb 0.69 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2vwx h GLU 625 CO 0.34 0.62 0.00 1.19 -0.73 0.00 0.00 179.01 180.42 2vwx n PHE 626 N -4.60 0.04 -2.65 0.92 3.72 -1.26 -5.09 117.46 108.53 2vwx n PHE 626 Ca 0.19 -0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 2vwx n PHE 626 Cb 0.36 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 2vwx n PHE 626 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2vwx n GLY 627 N 0.19 -0.54 3.85 1.37 0.00 -1.19 -4.61 105.19 104.26 2vwx n GLY 627 Ca 0.03 -0.85 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 2vwx n GLY 627 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vwx s GLU 628 N -1.35 3.90 -0.12 1.61 2.02 -1.25 0.83 118.70 124.35 2vwx s GLU 628 Ca 0.00 0.88 0.01 0.00 0.02 0.00 0.00 54.97 55.88 2vwx s GLU 628 Cb 0.00 -2.16 -0.01 0.00 0.10 0.00 0.00 34.13 32.06 2vwx s GLU 628 CO 0.00 -0.27 -0.15 0.08 0.02 0.00 0.00 175.26 174.93 2vwx s VAL 629 N -2.65 2.87 0.14 2.63 1.01 -0.56 -2.08 120.40 121.76 2vwx s VAL 629 Ca 0.58 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.88 2vwx s VAL 629 Cb -0.10 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 2vwx s VAL 629 CO 0.33 0.54 -0.14 0.00 0.00 0.00 0.00 175.10 175.83 2vwx s ARG 631 N -2.99 3.57 0.00 0.00 3.52 -0.16 -0.59 118.95 122.30 2vwx s ARG 631 Ca 0.13 -0.06 0.00 0.00 -0.13 0.00 0.00 55.73 55.67 2vwx s ARG 631 Cb -0.03 -3.12 0.00 0.00 -1.56 0.00 0.00 34.95 30.24 2vwx s ARG 631 CO 0.03 0.68 0.00 0.41 -0.81 0.00 0.00 175.30 175.62 2vwx n GLY 632 N 1.37 2.23 3.13 8.12 0.00 0.13 -0.30 105.19 119.86 2vwx n GLY 632 Ca -0.13 -1.01 -0.24 0.00 0.00 0.00 0.00 46.02 44.63 2vwx n GLY 632 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vwx s ARG 633 N -1.62 1.43 -0.16 1.61 1.81 -0.07 -1.07 118.95 120.89 2vwx s ARG 633 Ca 0.00 -0.57 0.01 0.00 -1.72 0.00 0.00 55.73 53.44 2vwx s ARG 633 Cb 0.00 -1.33 0.00 0.00 -0.45 0.00 0.00 34.95 33.17 2vwx s ARG 633 CO 0.00 0.30 -0.16 -1.17 -0.68 0.00 0.00 175.30 173.59 2vwx s LEU 634 N -0.22 2.40 -0.17 2.53 2.96 -0.12 -1.22 118.68 124.84 2vwx s LEU 634 Ca 0.03 -0.50 -0.02 0.00 -0.22 0.00 0.00 54.13 53.41 2vwx s LEU 634 Cb -0.08 -1.54 0.05 0.00 0.50 0.00 0.00 46.19 45.12 2vwx s LEU 634 CO 0.00 0.08 0.02 -0.75 -1.32 0.00 0.00 176.35 174.38 2vwx s LYS 635 N 0.86 0.74 0.08 1.98 2.47 0.28 -0.95 119.74 125.20 2vwx s LYS 635 Ca -0.05 -0.36 0.08 0.00 -1.56 0.00 0.00 55.97 54.08 2vwx s LYS 635 Cb -0.15 -1.94 -0.04 0.00 -1.46 0.00 0.00 37.83 34.24 2vwx s LYS 635 CO -0.01 -0.57 -0.17 0.00 0.16 0.00 0.00 175.35 174.76 2vwx s ALA 636 N 1.84 2.67 0.16 3.13 0.00 -1.26 -4.50 121.76 123.80 2vwx s ALA 636 Ca 0.00 -1.27 -0.34 0.00 0.00 0.00 0.00 51.96 50.35 2vwx s ALA 636 Cb -0.16 -0.71 -0.15 0.00 0.00 0.00 0.00 23.12 22.10 2vwx s ALA 636 CO -0.07 0.59 1.44 -2.30 0.00 0.00 0.00 175.76 175.41 2vwx n PRO 637 N 1.13 1.75 -0.19 0.00 -0.02 -1.26 -1.24 135.00 135.17 2vwx n PRO 637 Ca -0.16 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2vwx n PRO 637 Cb 0.52 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 2vwx n PRO 637 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vwx n GLY 638 N 2.79 2.17 3.46 -1.23 0.00 -1.26 -5.02 105.19 106.10 2vwx n GLY 638 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2vwx n GLY 638 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vwx s LYS 639 N -0.16 1.73 0.57 1.61 3.01 -0.37 -5.12 119.74 121.02 2vwx s LYS 639 Ca 0.00 -1.19 -0.17 0.00 -1.01 0.00 0.00 55.97 53.60 2vwx s LYS 639 Cb 0.00 -2.07 -0.05 0.00 -1.01 0.00 0.00 37.83 34.70 2vwx s LYS 639 CO 0.00 0.48 1.08 0.15 0.51 0.00 0.00 175.35 177.57 2vwx s LYS 640 N -2.01 3.34 0.53 1.68 3.01 -1.26 -4.28 119.74 120.75 2vwx s LYS 640 Ca 0.16 1.35 -0.21 0.00 -1.01 0.00 0.00 55.97 56.26 2vwx s LYS 640 Cb -0.10 -2.03 -0.05 0.00 -1.01 0.00 0.00 37.83 34.64 2vwx s LYS 640 CO 0.08 -0.81 1.26 -2.00 0.51 0.00 0.00 175.35 174.40 2vwx s GLU 641 N -3.74 3.27 0.07 1.68 2.12 -1.26 -4.73 118.70 116.10 2vwx s GLU 641 Ca 0.67 1.99 -0.00 0.00 0.36 0.00 0.00 54.97 57.98 2vwx s GLU 641 Cb -0.18 -2.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.96 2vwx s GLU 641 CO 0.32 -1.01 -0.03 -1.54 -0.54 0.00 0.00 175.26 172.46 2vwx s SER 642 N -1.25 0.60 0.12 -1.70 1.04 -0.13 -4.98 113.70 107.40 2vwx s SER 642 Ca 0.71 -1.03 -0.27 0.00 0.48 0.00 0.00 55.95 55.85 2vwx s SER 642 Cb -0.34 0.19 -0.07 0.00 0.10 0.00 0.00 66.02 65.90 2vwx s SER 642 CO 0.40 -0.59 0.83 0.00 0.98 0.00 0.00 173.24 174.86 2vwx s VAL 644 N -0.51 0.77 0.10 0.00 -7.23 -0.23 -3.57 120.40 109.73 2vwx s VAL 644 Ca 0.40 -1.53 -0.12 0.00 -1.81 0.00 0.00 61.98 58.92 2vwx s VAL 644 Cb -0.23 -1.20 -0.06 0.00 0.56 0.00 0.00 36.38 35.45 2vwx s VAL 644 CO 0.26 -0.57 0.46 0.00 -0.31 0.00 0.00 175.10 174.95 2vwx s ALA 645 N -2.36 3.66 -0.10 1.32 0.00 -0.38 -0.70 121.76 123.21 2vwx s ALA 645 Ca 0.02 -0.26 -0.00 0.00 0.00 0.00 0.00 51.96 51.72 2vwx s ALA 645 Cb -0.03 -2.39 0.02 0.00 0.00 0.00 0.00 23.12 20.72 2vwx s ALA 645 CO -0.01 0.51 -0.06 0.42 0.00 0.00 0.00 175.76 176.62 2vwx s ILE 646 N -1.39 0.88 -0.07 0.00 1.01 0.25 -1.17 121.20 120.71 2vwx s ILE 646 Ca 0.34 -0.22 -0.13 0.00 0.00 0.00 0.00 60.65 60.65 2vwx s ILE 646 Cb -0.15 -0.92 -0.05 0.00 0.01 0.00 0.00 42.46 41.36 2vwx s ILE 646 CO 0.18 0.34 0.32 -0.54 0.00 0.00 0.00 174.94 175.23 2vwx s LYS 647 N 1.60 3.88 0.08 2.79 1.02 0.25 -0.39 119.74 128.97 2vwx s LYS 647 Ca 0.02 0.20 0.09 0.00 0.02 0.00 0.00 55.97 56.30 2vwx s LYS 647 Cb -0.13 -3.26 -0.03 0.00 -0.52 0.00 0.00 37.83 33.88 2vwx s LYS 647 CO -0.06 0.60 -0.23 0.95 -0.92 0.00 0.00 175.35 175.69 2vwx s THR 648 N -0.68 2.42 -0.20 2.17 -4.23 -0.88 -1.51 115.64 112.73 2vwx s THR 648 Ca 0.20 -1.45 0.01 0.00 -1.18 0.00 0.00 61.69 59.27 2vwx s THR 648 Cb -0.15 -2.02 0.04 0.00 1.34 0.00 0.00 72.50 71.71 2vwx s THR 648 CO 0.09 0.25 -0.13 -0.22 -0.54 0.00 0.00 174.62 174.07 2vwx s LEU 649 N -1.62 2.44 0.00 4.79 2.96 0.46 -3.77 118.68 123.95 2vwx s LEU 649 Ca 0.14 -0.92 0.00 0.00 -0.22 0.00 0.00 54.13 53.13 2vwx s LEU 649 Cb -0.10 -1.34 0.00 0.00 0.50 0.00 0.00 46.19 45.24 2vwx s LEU 649 CO 0.05 -0.12 0.00 0.29 -1.32 0.00 0.00 176.35 175.25 2vwx n LYS 650 N 4.63 1.45 -1.10 1.98 5.02 -1.26 -1.38 118.16 127.49 2vwx n LYS 650 Ca -0.16 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.80 2vwx n LYS 650 Cb 0.47 0.00 0.13 0.00 -0.02 0.00 0.00 35.03 35.60 2vwx n LYS 650 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2vwx s GLY 651 N -1.76 2.03 0.00 0.72 0.00 -1.26 -4.39 107.32 102.66 2vwx s GLY 651 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 44.72 45.45 2vwx s GLY 651 CO 0.00 1.14 0.00 0.61 0.00 0.00 0.00 173.10 174.85 2vwx n GLY 652 N 0.23 0.72 3.96 0.20 0.00 -1.26 -5.08 105.19 103.95 2vwx n GLY 652 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 2vwx n GLY 652 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2vwx s TYR 653 N -2.22 3.47 0.75 1.61 2.02 -1.26 -5.10 117.35 116.62 2vwx s TYR 653 Ca 0.00 0.10 -0.11 0.00 -0.37 0.00 0.00 57.07 56.69 2vwx s TYR 653 Cb 0.00 -1.67 0.04 0.00 -0.40 0.00 0.00 41.96 39.93 2vwx s TYR 653 CO 0.00 0.39 1.09 0.95 -1.57 0.00 0.00 175.55 176.41 2vwx s THR 654 N -1.99 3.35 0.43 -0.71 -4.23 -1.26 -4.87 115.64 106.36 2vwx s THR 654 Ca 0.36 0.44 0.09 0.00 -1.18 0.00 0.00 61.69 61.39 2vwx s THR 654 Cb -0.10 -3.27 0.26 0.00 1.34 0.00 0.00 72.50 70.73 2vwx s THR 654 CO 0.30 -0.57 2.06 -0.33 -0.54 0.00 0.00 174.62 175.54 2vwx h GLU 655 N -0.89 0.41 -0.57 3.99 4.39 -1.99 -0.97 114.58 118.96 2vwx h GLU 655 Ca -0.46 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.14 2vwx h GLU 655 Cb 1.25 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.79 2vwx h GLU 655 CO 0.60 0.29 0.06 -0.09 -1.16 0.00 0.00 179.01 178.72 2vwx h ARG 656 N 0.42 0.93 -0.48 2.33 9.65 -1.99 -1.19 114.38 124.05 2vwx h ARG 656 Ca 0.11 -0.24 -0.13 0.00 -1.10 0.00 0.00 59.98 58.61 2vwx h ARG 656 Cb -0.01 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.44 2vwx h ARG 656 CO -0.02 0.88 -0.23 1.96 2.80 0.00 0.00 179.97 185.36 2vwx h GLN 657 N 0.87 0.99 -0.64 0.20 4.20 -1.59 -1.06 115.11 118.09 2vwx h GLN 657 Ca 0.17 -0.43 0.04 0.00 0.06 0.00 0.00 58.65 58.50 2vwx h GLN 657 Cb 0.43 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.13 2vwx h GLN 657 CO 0.01 1.11 0.37 -0.09 -0.67 0.00 0.00 178.83 179.56 2vwx h ARG 658 N 0.85 0.68 -0.52 1.46 2.43 -0.95 0.29 114.38 118.64 2vwx h ARG 658 Ca 0.11 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.14 2vwx h ARG 658 Cb 0.81 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 2vwx h ARG 658 CO 0.07 0.45 -0.06 0.00 -1.51 0.00 0.00 179.97 178.92 2vwx h ARG 659 N 0.70 0.95 -0.50 0.20 3.08 -0.92 -0.51 114.38 117.38 2vwx h ARG 659 Ca 0.27 -0.34 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 2vwx h ARG 659 Cb 0.11 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2vwx h ARG 659 CO -0.14 1.00 0.03 1.49 -1.07 0.00 0.00 179.97 181.27 2vwx h GLU 660 N 0.82 0.87 0.18 0.04 4.57 -0.92 0.23 114.58 120.37 2vwx h GLU 660 Ca 0.14 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 2vwx h GLU 660 Cb 0.61 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 2vwx h GLU 660 CO 0.04 0.89 -0.16 0.35 -1.18 0.00 0.00 179.01 178.95 2vwx h PHE 661 N 0.73 -0.41 0.00 0.92 3.57 -0.77 -2.72 116.94 118.26 2vwx h PHE 661 Ca 0.15 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 2vwx h PHE 661 Cb 0.48 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 2vwx h PHE 661 CO 0.04 -0.24 -0.06 -0.07 -2.23 0.00 0.00 178.31 175.75 2vwx h LEU 662 N -0.36 0.00 -1.75 0.59 3.38 -0.94 -3.06 115.31 113.16 2vwx h LEU 662 Ca -0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.03 2vwx h LEU 662 Cb 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2vwx h LEU 662 CO -0.03 0.06 0.29 0.77 0.09 0.00 0.00 178.44 179.62 2vwx h SER 663 N 0.00 0.26 -0.64 -0.43 4.64 -0.21 -1.73 113.55 115.44 2vwx h SER 663 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2vwx h SER 663 Cb 0.63 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.63 2vwx h SER 663 CO 0.01 0.17 0.37 -0.08 -0.87 0.00 0.00 176.83 176.43 2vwx h GLU 664 N 0.30 0.88 -0.25 4.77 4.81 -1.61 -0.66 114.58 122.82 2vwx h GLU 664 Ca 0.19 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2vwx h GLU 664 Cb 0.37 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2vwx h GLU 664 CO -0.04 0.65 0.16 0.00 -0.73 0.00 0.00 179.01 179.05 2vwx h ALA 665 N 1.18 0.32 -0.78 2.92 0.00 -1.51 -0.25 119.26 121.14 2vwx h ALA 665 Ca 0.23 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.21 2vwx h ALA 665 Cb 0.01 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 2vwx h ALA 665 CO -0.04 -0.20 0.43 0.77 0.00 0.00 0.00 179.25 180.20 2vwx h SER 666 N 0.33 0.60 -0.00 0.00 0.02 -0.97 -0.07 113.55 113.47 2vwx h SER 666 Ca 0.09 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2vwx h SER 666 Cb -0.03 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.45 2vwx h SER 666 CO -0.02 0.35 -0.00 0.40 -1.14 0.00 0.00 176.83 176.42 2vwx h ILE 667 N 0.73 1.46 -0.91 3.27 2.04 -1.01 -2.98 117.51 120.09 2vwx h ILE 667 Ca 0.37 -1.34 0.13 0.00 1.00 0.00 0.00 64.86 65.02 2vwx h ILE 667 Cb 0.35 2.36 -0.07 0.00 -0.74 0.00 0.00 36.82 38.72 2vwx h ILE 667 CO -0.25 0.35 0.59 0.24 0.00 0.00 0.00 178.15 179.08 2vwx h MET 668 N -0.57 0.77 0.00 2.37 2.86 -0.83 -0.12 114.93 119.41 2vwx h MET 668 Ca 0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2vwx h MET 668 Cb 0.57 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2vwx h MET 668 CO 0.00 0.51 0.00 0.41 1.06 0.00 0.00 176.91 178.89 2vwx n GLY 669 N -1.41 -1.15 0.08 8.32 0.00 -0.06 -1.75 105.19 109.22 2vwx n GLY 669 Ca 0.17 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.40 2vwx n GLY 669 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2vwx n GLN 670 N -2.11 0.20 -4.21 1.61 6.02 -0.06 -4.90 117.38 113.94 2vwx n GLN 670 Ca 0.02 0.17 -0.29 0.00 -0.01 0.00 0.00 57.00 56.89 2vwx n GLN 670 Cb 0.19 -1.74 -0.09 0.00 1.02 0.00 0.00 30.24 29.61 2vwx n GLN 670 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2vwx s PHE 671 N -3.08 2.80 -0.26 1.08 2.99 -0.72 -5.10 117.98 115.68 2vwx s PHE 671 Ca 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 56.93 56.90 2vwx s PHE 671 Cb 0.14 -1.44 0.14 0.00 0.00 0.00 0.00 43.02 41.86 2vwx s PHE 671 CO 0.58 0.45 0.37 -2.00 -0.00 0.00 0.00 175.22 174.62 2vwx s GLU 672 N -2.35 0.36 -0.26 0.44 2.12 -1.26 -4.85 118.70 112.90 2vwx s GLU 672 Ca 0.23 0.33 -0.26 0.00 0.36 0.00 0.00 54.97 55.64 2vwx s GLU 672 Cb -0.11 -0.48 0.10 0.00 0.26 0.00 0.00 34.13 33.90 2vwx s GLU 672 CO 0.15 -0.80 0.88 -1.58 -0.54 0.00 0.00 175.26 173.38 2vwx s HIS 673 N 2.52 -0.61 -0.33 5.30 2.46 -1.26 -5.05 115.29 118.32 2vwx s HIS 673 Ca 0.11 1.44 0.23 0.00 0.47 0.00 0.00 55.06 57.31 2vwx s HIS 673 Cb -0.14 0.33 1.09 0.00 -0.13 0.00 0.00 32.58 33.73 2vwx s HIS 673 CO -0.22 -0.32 1.69 -0.35 -2.47 0.00 0.00 174.74 173.08 2vwx n PRO 674 N 2.26 0.17 -0.66 2.88 -0.04 -1.26 -1.88 135.00 136.47 2vwx n PRO 674 Ca -0.13 0.54 0.03 0.00 -0.04 0.00 0.00 63.50 63.89 2vwx n PRO 674 Cb 0.56 -1.93 0.26 0.00 -0.04 0.00 0.00 33.50 32.35 2vwx n PRO 674 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2vwx n ASN 675 N -2.26 3.86 -4.02 3.54 4.13 -1.26 -4.86 115.26 114.39 2vwx n ASN 675 Ca 0.00 -3.22 -0.24 0.00 1.68 0.00 0.00 54.58 52.80 2vwx n ASN 675 Cb 0.13 -0.61 -0.16 0.00 -1.54 0.00 0.00 39.78 37.59 2vwx n ASN 675 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2vwx s ILE 676 N -2.96 1.09 0.15 2.41 -1.09 -0.79 -0.93 121.20 119.08 2vwx s ILE 676 Ca 0.46 -0.47 -0.34 0.00 -2.23 0.00 0.00 60.65 58.07 2vwx s ILE 676 Cb 0.38 -0.99 -0.14 0.00 -1.58 0.00 0.00 42.46 40.12 2vwx s ILE 676 CO 0.08 0.34 1.53 0.00 -1.23 0.00 0.00 174.94 175.66 2vwx n ILE 677 N 3.73 0.01 -3.14 2.92 3.06 -0.65 -4.62 119.36 120.65 2vwx n ILE 677 Ca -0.22 -0.00 -0.39 0.00 -2.50 0.00 0.00 62.75 59.63 2vwx n ILE 677 Cb 0.52 -1.40 -0.05 0.00 0.54 0.00 0.00 39.64 39.25 2vwx n ILE 677 CO 0.00 0.00 0.00 -0.60 -2.50 0.00 0.00 176.55 173.45 2vwx s ARG 678 N 0.82 4.34 -0.00 9.51 3.52 -1.26 -4.97 118.95 130.91 2vwx s ARG 678 Ca 0.80 0.68 -0.29 0.00 -0.13 0.00 0.00 55.73 56.78 2vwx s ARG 678 Cb -0.73 -3.48 -0.03 0.00 -1.56 0.00 0.00 34.95 29.14 2vwx s ARG 678 CO 0.40 -0.00 0.95 -1.17 -0.81 0.00 0.00 175.30 174.67 2vwx s LEU 679 N 1.09 4.37 -0.13 -0.88 2.96 -1.26 -1.57 118.68 123.25 2vwx s LEU 679 Ca 0.31 1.62 -0.06 0.00 -0.22 0.00 0.00 54.13 55.79 2vwx s LEU 679 Cb -0.16 -3.53 -0.25 0.00 0.50 0.00 0.00 46.19 42.75 2vwx s LEU 679 CO 0.13 -0.24 0.30 -0.62 -1.32 0.00 0.00 176.35 174.60 2vwx n GLU 680 N 3.84 0.75 -3.69 1.98 -0.58 0.45 -4.92 120.64 118.47 2vwx n GLU 680 Ca 0.05 0.25 0.00 0.00 -0.42 0.00 0.00 57.16 57.04 2vwx n GLU 680 Cb 0.51 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 2vwx n GLU 680 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2vwx n GLY 681 N 2.02 -1.61 3.19 0.62 0.00 -1.02 -4.84 105.19 103.56 2vwx n GLY 681 Ca -0.33 -1.13 -0.14 0.00 0.00 0.00 0.00 46.02 44.41 2vwx n GLY 681 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2vwx s VAL 682 N -2.75 0.96 -0.26 1.61 -7.23 0.02 -0.97 120.40 111.78 2vwx s VAL 682 Ca 0.00 -1.77 0.03 0.00 -1.81 0.00 0.00 61.98 58.43 2vwx s VAL 682 Cb 0.00 -1.51 0.06 0.00 0.56 0.00 0.00 36.38 35.49 2vwx s VAL 682 CO 0.00 -0.64 -0.11 -0.69 -0.31 0.00 0.00 175.10 173.35 2vwx s VAL 683 N -2.78 2.15 0.00 1.32 1.01 0.27 -0.42 120.40 121.95 2vwx s VAL 683 Ca 0.09 -1.62 0.00 0.00 0.00 0.00 0.00 61.98 60.45 2vwx s VAL 683 Cb -0.01 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 34.11 2vwx s VAL 683 CO -0.00 -0.03 0.07 0.35 0.00 0.00 0.00 175.10 175.49 2vwx n THR 684 N 4.44 0.00 -1.05 3.92 -2.24 -1.26 -1.07 114.28 117.01 2vwx n THR 684 Ca -0.14 -0.38 -0.01 0.00 -2.27 0.00 0.00 64.05 61.25 2vwx n THR 684 Cb 0.42 1.04 0.31 0.00 -2.10 0.00 0.00 70.33 70.00 2vwx n THR 684 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2vwx n ASN 685 N -0.63 4.61 -3.47 3.42 5.03 -1.26 -4.95 115.26 118.01 2vwx n ASN 685 Ca 0.00 -3.19 -0.10 0.00 0.87 0.00 0.00 54.58 52.16 2vwx n ASN 685 Cb 0.01 -0.69 -0.02 0.00 -1.02 0.00 0.00 39.78 38.06 2vwx n ASN 685 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2vwx s SER 686 N -1.30 -0.44 -0.06 6.41 0.15 -1.26 -5.15 113.70 112.05 2vwx s SER 686 Ca 0.52 -0.00 0.03 0.00 0.70 0.00 0.00 55.95 57.20 2vwx s SER 686 Cb 0.42 0.47 -0.02 0.00 -1.71 0.00 0.00 66.02 65.17 2vwx s SER 686 CO 0.12 -0.75 -0.15 -0.04 1.20 0.00 0.00 173.24 173.62 2vwx s MET 687 N -3.36 2.61 0.65 5.44 -1.94 -1.26 -3.56 119.30 117.88 2vwx s MET 687 Ca 0.04 -0.71 -0.13 0.00 -1.71 0.00 0.00 55.69 53.18 2vwx s MET 687 Cb -0.01 -2.39 -0.01 0.00 2.01 0.00 0.00 34.83 34.42 2vwx s MET 687 CO -0.10 0.56 1.05 -1.25 -0.01 0.00 0.00 175.02 175.27 2vwx s PRO 688 N -0.56 3.16 0.37 2.03 0.04 -1.26 -5.12 135.00 133.66 2vwx s PRO 688 Ca 0.08 1.03 -0.26 0.00 0.04 0.00 0.00 61.00 61.88 2vwx s PRO 688 Cb -0.11 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 2vwx s PRO 688 CO 0.01 -0.93 1.13 0.08 0.04 0.00 0.00 177.00 177.34 2vwx s VAL 689 N -2.83 3.34 0.02 -0.36 1.01 -0.48 -4.85 120.40 116.25 2vwx s VAL 689 Ca 0.60 1.16 0.01 0.00 0.00 0.00 0.00 61.98 63.74 2vwx s VAL 689 Cb -0.14 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 2vwx s VAL 689 CO 0.48 0.13 -0.04 -0.04 0.00 0.00 0.00 175.10 175.63 2vwx s MET 690 N -2.14 0.35 -0.13 2.72 -1.94 -0.23 -0.40 119.30 117.52 2vwx s MET 690 Ca 0.54 -0.59 0.03 0.00 -1.71 0.00 0.00 55.69 53.96 2vwx s MET 690 Cb -0.29 -0.02 0.01 0.00 2.01 0.00 0.00 34.83 36.54 2vwx s MET 690 CO 0.37 -0.02 -0.22 0.42 -0.01 0.00 0.00 175.02 175.56 2vwx s ILE 691 N -1.29 2.04 -0.12 2.53 1.01 -0.57 -0.56 121.20 124.24 2vwx s ILE 691 Ca -0.13 -0.98 -0.01 0.00 0.00 0.00 0.00 60.65 59.53 2vwx s ILE 691 Cb -0.09 -1.80 -0.02 0.00 0.01 0.00 0.00 42.46 40.55 2vwx s ILE 691 CO -0.01 0.55 -0.07 -0.76 0.00 0.00 0.00 174.94 174.65 2vwx s LEU 692 N 0.74 3.07 0.25 2.97 1.02 -0.15 -0.58 118.68 126.00 2vwx s LEU 692 Ca -0.09 -0.16 0.02 0.00 0.02 0.00 0.00 54.13 53.92 2vwx s LEU 692 Cb -0.16 -1.71 -0.05 0.00 0.02 0.00 0.00 46.19 44.29 2vwx s LEU 692 CO -0.00 0.22 0.06 0.42 0.02 0.00 0.00 176.35 177.07 2vwx s THR 693 N 0.04 0.73 0.71 5.49 -4.23 -0.32 -0.41 115.64 117.65 2vwx s THR 693 Ca -0.02 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.33 2vwx s THR 693 Cb -0.14 -2.55 -0.03 0.00 1.34 0.00 0.00 72.50 71.13 2vwx s THR 693 CO 0.03 -0.11 0.68 -1.84 -0.54 0.00 0.00 174.62 172.84 2vwx n GLU 694 N -0.46 0.40 -3.70 3.99 0.28 -0.61 -1.25 120.64 119.29 2vwx n GLU 694 Ca -0.02 0.18 -0.36 0.00 -0.16 0.00 0.00 57.16 56.80 2vwx n GLU 694 Cb 0.66 -1.95 -0.07 0.00 1.43 0.00 0.00 31.44 31.51 2vwx n GLU 694 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 2vwx s PHE 695 N -1.85 3.53 -0.42 -1.84 5.36 -1.23 -3.78 117.98 117.74 2vwx s PHE 695 Ca 0.68 0.55 -0.03 0.00 -0.96 0.00 0.00 56.93 57.17 2vwx s PHE 695 Cb -0.36 -2.15 0.11 0.00 -0.34 0.00 0.00 43.02 40.28 2vwx s PHE 695 CO 0.55 0.47 0.22 -1.64 -1.46 0.00 0.00 175.22 173.36 2vwx s MET 696 N -0.25 2.04 0.42 10.12 -1.94 -1.26 -4.94 119.30 123.48 2vwx s MET 696 Ca 0.15 -1.85 0.13 0.00 -1.71 0.00 0.00 55.69 52.41 2vwx s MET 696 Cb -0.13 -3.60 0.99 0.00 2.01 0.00 0.00 34.83 34.10 2vwx s MET 696 CO 0.03 -1.08 1.94 1.49 -0.01 0.00 0.00 175.02 177.39 2vwx h GLU 697 N 8.02 0.46 -0.37 2.03 4.81 -1.85 -2.30 114.58 125.37 2vwx h GLU 697 Ca -0.13 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 2vwx h GLU 697 Cb 1.04 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.32 2vwx h GLU 697 CO 0.70 0.30 0.00 0.09 -0.73 0.00 0.00 179.01 179.38 2vwx n ASN 698 N -4.48 3.04 0.00 1.04 3.02 -0.21 -4.98 115.26 112.68 2vwx n ASN 698 Ca 0.12 -1.94 0.00 0.00 -0.03 0.00 0.00 54.58 52.74 2vwx n ASN 698 Cb 0.43 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 2vwx n ASN 698 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vwx n GLY 699 N 1.42 0.48 3.76 7.41 0.00 -0.87 -4.64 105.19 112.75 2vwx n GLY 699 Ca 0.19 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 2vwx n GLY 699 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vwx s ALA 700 N -1.62 3.41 0.22 4.61 0.00 -1.26 -1.21 121.76 125.91 2vwx s ALA 700 Ca 0.00 0.91 -0.07 0.00 0.00 0.00 0.00 51.96 52.80 2vwx s ALA 700 Cb 0.00 -3.34 0.18 0.00 0.00 0.00 0.00 23.12 19.96 2vwx s ALA 700 CO 0.00 -0.19 1.78 1.25 0.00 0.00 0.00 175.76 178.60 2vwx h LEU 701 N 3.92 1.09 -0.24 0.00 5.85 -0.77 -1.53 115.31 123.64 2vwx h LEU 701 Ca -0.47 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.07 2vwx h LEU 701 Cb 1.21 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 2vwx h LEU 701 CO 0.67 0.97 0.09 -2.24 -0.34 0.00 0.00 178.44 177.60 2vwx h ASP 702 N 1.14 0.33 -0.33 1.25 2.03 -1.84 -0.40 116.42 118.61 2vwx h ASP 702 Ca 0.26 -0.17 -0.11 0.00 -0.73 0.00 0.00 57.03 56.28 2vwx h ASP 702 Cb 0.23 -0.09 -0.02 0.00 -0.83 0.00 0.00 39.33 38.63 2vwx h ASP 702 CO -0.02 0.41 -0.19 0.77 -1.03 0.00 0.00 179.24 179.18 2vwx h SER 703 N 0.23 0.81 -0.79 4.15 4.64 -1.90 -1.42 113.55 119.28 2vwx h SER 703 Ca 0.08 -0.28 -0.03 0.00 -0.47 0.00 0.00 61.79 61.09 2vwx h SER 703 Cb 0.18 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.01 2vwx h SER 703 CO -0.01 0.98 0.38 0.15 -0.87 0.00 0.00 176.83 177.47 2vwx h PHE 704 N 0.71 1.14 -0.11 4.77 3.57 -1.00 -1.41 116.94 124.60 2vwx h PHE 704 Ca 0.10 -0.05 -0.20 0.00 3.53 0.00 0.00 57.97 61.35 2vwx h PHE 704 Cb 0.70 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.09 2vwx h PHE 704 CO 0.04 0.83 -0.74 -0.07 -2.23 0.00 0.00 178.31 176.14 2vwx h LEU 705 N 1.11 0.67 -0.82 0.59 3.38 -0.78 -2.40 115.31 117.06 2vwx h LEU 705 Ca 0.27 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2vwx h LEU 705 Cb 0.12 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2vwx h LEU 705 CO -0.03 1.20 0.46 0.03 0.09 0.00 0.00 178.44 180.18 2vwx h ARG 706 N 0.39 1.14 -0.59 1.13 3.08 -1.00 -1.52 114.38 117.01 2vwx h ARG 706 Ca -0.04 -0.13 0.03 0.00 0.07 0.00 0.00 59.98 59.92 2vwx h ARG 706 Cb 1.33 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 31.12 2vwx h ARG 706 CO 0.14 0.83 0.39 1.25 -1.07 0.00 0.00 179.97 181.50 2vwx h LEU 707 N 1.14 0.59 -3.85 3.04 5.85 -1.14 -3.13 115.31 117.81 2vwx h LEU 707 Ca 0.29 -0.01 -0.60 0.00 0.84 0.00 0.00 57.88 58.41 2vwx h LEU 707 Cb 0.01 -0.14 -0.36 0.00 0.37 0.00 0.00 40.66 40.54 2vwx h LEU 707 CO -0.05 0.41 -0.08 0.59 -0.34 0.00 0.00 178.44 178.97 2vwx n ASN 708 N -4.46 6.05 -4.70 1.25 3.02 -0.65 -5.04 115.26 110.73 2vwx n ASN 708 Ca 0.07 -3.77 -0.42 0.00 -0.03 0.00 0.00 54.58 50.43 2vwx n ASN 708 Cb 0.13 -0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 38.65 2vwx n ASN 708 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2vwx s ASP 709 N -2.82 6.49 -0.17 6.41 2.15 -0.72 -1.14 116.67 126.87 2vwx s ASP 709 Ca 0.57 2.68 0.00 0.00 0.43 0.00 0.00 52.55 56.23 2vwx s ASP 709 Cb 0.45 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.50 2vwx s ASP 709 CO 0.02 -0.94 0.00 0.61 -0.17 0.00 0.00 175.17 174.69 2vwx n GLY 710 N 4.06 0.35 0.36 2.66 0.00 -1.26 -4.89 105.19 106.48 2vwx n GLY 710 Ca 0.16 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.20 2vwx n GLY 710 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2vwx n GLN 711 N -0.91 1.70 -4.58 1.61 6.02 -0.29 -4.88 117.38 116.04 2vwx n GLN 711 Ca -0.02 -0.82 -0.31 0.00 -0.01 0.00 0.00 57.00 55.84 2vwx n GLN 711 Cb 0.31 -1.25 -0.12 0.00 1.02 0.00 0.00 30.24 30.20 2vwx n GLN 711 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2vwx s PHE 712 N -1.80 2.63 0.83 1.08 2.99 -1.26 -5.13 117.98 117.32 2vwx s PHE 712 Ca 0.13 -0.21 -0.12 0.00 0.00 0.00 0.00 56.93 56.73 2vwx s PHE 712 Cb 0.12 -1.48 0.09 0.00 0.00 0.00 0.00 43.02 41.75 2vwx s PHE 712 CO 0.37 0.29 1.12 0.95 -0.00 0.00 0.00 175.22 177.95 2vwx s THR 713 N -0.96 2.63 0.23 0.64 -4.23 -1.26 -4.84 115.64 107.84 2vwx s THR 713 Ca 0.16 0.20 -0.07 0.00 -1.18 0.00 0.00 61.69 60.80 2vwx s THR 713 Cb -0.11 -3.00 0.20 0.00 1.34 0.00 0.00 72.50 70.93 2vwx s THR 713 CO 0.06 -0.27 1.87 0.58 -0.54 0.00 0.00 174.62 176.32 2vwx h VAL 714 N -1.18 1.10 -0.55 2.29 2.07 -1.99 -0.93 116.25 117.06 2vwx h VAL 714 Ca -0.48 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 66.64 2vwx h VAL 714 Cb 1.30 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2vwx h VAL 714 CO 0.61 0.19 0.15 0.40 0.02 0.00 0.00 177.57 178.94 2vwx h ILE 715 N 1.02 1.22 -0.18 4.57 1.08 -1.99 0.96 117.51 124.21 2vwx h ILE 715 Ca 0.35 -0.80 -0.01 0.00 -0.39 0.00 0.00 64.86 64.01 2vwx h ILE 715 Cb 0.06 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 34.45 2vwx h ILE 715 CO -0.13 0.30 0.06 1.56 -0.69 0.00 0.00 178.15 179.25 2vwx h GLN 716 N 0.81 0.27 -0.89 2.37 4.20 -1.76 -1.12 115.11 119.00 2vwx h GLN 716 Ca 0.18 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.89 2vwx h GLN 716 Cb 0.28 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 27.96 2vwx h GLN 716 CO -0.00 0.36 0.56 -0.07 -0.67 0.00 0.00 178.83 179.01 2vwx h LEU 717 N 0.12 0.91 -0.85 1.46 3.38 -0.48 -1.39 115.31 118.45 2vwx h LEU 717 Ca 0.06 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 2vwx h LEU 717 Cb 0.20 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2vwx h LEU 717 CO -0.00 0.60 -0.02 0.58 0.09 0.00 0.00 178.44 179.69 2vwx h VAL 718 N 1.06 1.25 -0.73 1.22 2.07 -0.71 -1.00 116.25 119.41 2vwx h VAL 718 Ca 0.37 -1.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 2vwx h VAL 718 Cb 0.10 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 2vwx h VAL 718 CO -0.15 0.37 0.32 1.23 0.02 0.00 0.00 177.57 179.36 2vwx h GLY 719 N 0.98 1.14 0.98 2.17 0.00 -0.48 0.86 103.07 108.72 2vwx h GLY 719 Ca 0.14 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 2vwx h GLY 719 CO 0.02 0.55 -0.08 -0.33 0.00 0.00 0.00 176.54 176.71 2vwx h MET 720 N 1.04 -0.20 -0.71 4.80 2.07 -0.90 -2.00 114.93 119.03 2vwx h MET 720 Ca 0.25 0.01 0.09 0.00 -2.07 0.00 0.00 59.70 57.98 2vwx h MET 720 Cb 0.16 0.05 -0.05 0.00 -1.87 0.00 0.00 31.60 29.89 2vwx h MET 720 CO -0.03 -0.12 0.47 -0.07 1.07 0.00 0.00 176.91 178.23 2vwx h LEU 721 N -0.23 0.57 -0.36 1.22 3.38 -0.84 -1.56 115.31 117.49 2vwx h LEU 721 Ca -0.02 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 2vwx h LEU 721 Cb 0.18 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2vwx h LEU 721 CO 0.04 0.35 -0.09 -0.09 0.09 0.00 0.00 178.44 178.74 2vwx h ARG 722 N 0.64 0.70 -0.46 1.13 1.12 -0.55 -0.23 114.38 116.74 2vwx h ARG 722 Ca 0.32 -0.27 -0.01 0.00 -1.11 0.00 0.00 59.98 58.91 2vwx h ARG 722 Cb 0.41 -0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 30.31 2vwx h ARG 722 CO -0.11 0.86 0.26 0.78 -3.11 0.00 0.00 179.97 178.65 2vwx h GLY 723 N 0.50 0.68 1.00 2.80 0.00 -0.93 0.16 103.07 107.28 2vwx h GLY 723 Ca 0.09 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2vwx h GLY 723 CO 0.04 0.29 0.22 -2.22 0.00 0.00 0.00 176.54 174.86 2vwx h ILE 724 N 0.60 1.09 -0.02 2.60 2.04 -1.18 -0.91 117.51 121.72 2vwx h ILE 724 Ca 0.16 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 2vwx h ILE 724 Cb 0.03 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2vwx h ILE 724 CO -0.03 0.09 -0.26 0.00 0.00 0.00 0.00 178.15 177.94 2vwx h ALA 725 N 1.12 1.52 -0.26 1.87 0.00 -0.48 -1.11 119.26 121.92 2vwx h ALA 725 Ca 0.12 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 2vwx h ALA 725 Cb -0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2vwx h ALA 725 CO -0.03 0.36 -0.33 1.03 0.00 0.00 0.00 179.25 180.29 2vwx h SER 726 N 0.04 0.74 -0.57 0.00 0.87 -0.25 0.15 113.55 114.52 2vwx h SER 726 Ca 0.00 -0.50 0.08 0.00 -1.23 0.00 0.00 61.79 60.15 2vwx h SER 726 Cb 0.49 -0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 62.18 2vwx h SER 726 CO 0.04 1.09 0.22 1.23 -0.53 0.00 0.00 176.83 178.88 2vwx h GLY 727 N 0.41 0.79 1.07 5.77 0.00 -0.65 -1.71 103.07 108.74 2vwx h GLY 727 Ca 0.03 -0.12 -0.14 0.00 0.00 0.00 0.00 47.33 47.10 2vwx h GLY 727 CO 0.08 0.01 -0.33 -0.33 0.00 0.00 0.00 176.54 175.97 2vwx h MET 728 N 0.41 0.86 -0.69 4.80 2.86 -0.93 -1.52 114.93 120.72 2vwx h MET 728 Ca 0.28 -0.44 0.15 0.00 -2.06 0.00 0.00 59.70 57.63 2vwx h MET 728 Cb 0.31 0.01 -0.12 0.00 0.06 0.00 0.00 31.60 31.86 2vwx h MET 728 CO -0.27 1.08 -0.06 -0.09 1.06 0.00 0.00 176.91 178.63 2vwx h ARG 729 N 0.65 0.06 -0.23 1.72 2.43 -0.51 0.13 114.38 118.64 2vwx h ARG 729 Ca 0.06 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 2vwx h ARG 729 Cb 0.91 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 2vwx h ARG 729 CO 0.08 0.04 -0.01 -0.92 -1.51 0.00 0.00 179.97 177.66 2vwx h TYR 730 N 0.07 0.45 -0.73 2.20 3.20 -0.92 -1.48 116.97 119.75 2vwx h TYR 730 Ca 0.36 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 2vwx h TYR 730 Cb 0.59 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.71 2vwx h TYR 730 CO -0.45 0.59 0.44 -0.07 -1.64 0.00 0.00 178.16 177.03 2vwx h LEU 731 N 0.17 0.87 -0.79 2.82 3.38 -0.85 -0.59 115.31 120.32 2vwx h LEU 731 Ca 0.06 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2vwx h LEU 731 Cb 0.42 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2vwx h LEU 731 CO 0.01 0.68 0.10 0.00 0.09 0.00 0.00 178.44 179.33 2vwx h ALA 732 N 1.23 1.00 -0.71 1.53 0.00 -0.69 0.28 119.26 121.90 2vwx h ALA 732 Ca 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2vwx h ALA 732 Cb -0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2vwx h ALA 732 CO -0.05 0.63 0.41 1.49 0.00 0.00 0.00 179.25 181.73 2vwx h GLU 733 N 0.95 0.96 -0.01 0.00 4.57 -0.69 -1.89 114.58 118.47 2vwx h GLU 733 Ca 0.19 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 2vwx h GLU 733 Cb 0.41 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 2vwx h GLU 733 CO 0.01 0.69 0.00 -1.33 -1.18 0.00 0.00 179.01 177.20 2vwx n MET 734 N -4.38 1.04 -3.12 1.92 2.81 -0.28 -4.91 117.12 110.20 2vwx n MET 734 Ca 0.07 -0.06 -0.23 0.00 -1.81 0.00 0.00 57.70 55.67 2vwx n MET 734 Cb 0.08 -1.23 0.02 0.00 -0.71 0.00 0.00 33.22 31.39 2vwx n MET 734 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2vwx n SER 735 N -0.66 -5.41 -4.49 7.83 7.64 -0.71 -4.99 113.62 112.83 2vwx n SER 735 Ca 0.11 -0.32 -0.36 0.00 1.01 0.00 0.00 58.87 59.31 2vwx n SER 735 Cb 0.06 -4.39 -0.12 0.00 -1.01 0.00 0.00 64.21 58.75 2vwx n SER 735 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2vwx s TYR 736 N -3.10 3.12 -0.24 1.43 5.04 0.01 -5.01 117.35 118.59 2vwx s TYR 736 Ca 0.33 -0.29 -0.14 0.00 -2.44 0.00 0.00 57.07 54.53 2vwx s TYR 736 Cb -0.16 -2.18 -0.04 0.00 0.35 0.00 0.00 41.96 39.93 2vwx s TYR 736 CO 0.41 -0.22 0.33 0.08 -1.34 0.00 0.00 175.55 174.81 2vwx s VAL 737 N 1.24 5.23 -0.01 3.14 1.01 -1.26 -3.94 120.40 125.80 2vwx s VAL 737 Ca 0.05 0.51 -0.24 0.00 0.00 0.00 0.00 61.98 62.29 2vwx s VAL 737 Cb -0.14 -3.66 -0.17 0.00 0.00 0.00 0.00 36.38 32.41 2vwx s VAL 737 CO 0.03 0.23 1.16 -0.74 0.00 0.00 0.00 175.10 175.78 2vwx h HIS 738 N 7.78 -0.23 0.00 5.22 2.76 -1.96 -3.47 115.15 125.24 2vwx h HIS 738 Ca -0.35 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.82 2vwx h HIS 738 Cb 1.17 0.08 0.00 0.00 1.55 0.00 0.00 27.41 30.20 2vwx h HIS 738 CO 0.71 0.16 0.00 0.54 -1.30 0.00 0.00 177.93 178.04 2vwx n ARG 739 N -5.01 0.00 -2.66 5.26 1.74 -1.26 -4.74 116.66 110.00 2vwx n ARG 739 Ca -0.09 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.92 2vwx n ARG 739 Cb 0.25 -1.74 0.04 0.00 -1.02 0.00 0.00 32.46 29.99 2vwx n ARG 739 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2vwx n ASP 740 N 0.00 2.17 -4.64 0.55 2.03 -1.26 -4.79 116.55 110.61 2vwx n ASP 740 Ca 0.00 -2.55 -0.43 0.00 0.52 0.00 0.00 54.79 52.34 2vwx n ASP 740 Cb 0.00 -0.47 -0.02 0.00 -0.72 0.00 0.00 41.12 39.90 2vwx n ASP 740 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2vwx s LEU 741 N -3.57 3.96 -0.03 -2.67 2.96 -1.26 -4.81 118.68 113.26 2vwx s LEU 741 Ca 0.31 1.49 -0.30 0.00 -0.22 0.00 0.00 54.13 55.42 2vwx s LEU 741 Cb 0.38 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 43.60 2vwx s LEU 741 CO -0.02 -1.09 0.67 0.00 -1.32 0.00 0.00 176.35 174.59 2vwx s ALA 742 N 4.52 -1.74 0.35 5.97 0.00 -1.26 -4.68 121.76 124.92 2vwx s ALA 742 Ca 0.62 1.23 0.06 0.00 0.00 0.00 0.00 51.96 53.87 2vwx s ALA 742 Cb -0.21 0.09 0.73 0.00 0.00 0.00 0.00 23.12 23.73 2vwx s ALA 742 CO 0.24 -0.41 1.94 0.00 0.00 0.00 0.00 175.76 177.54 2vwx h ALA 743 N 2.91 1.70 -0.08 0.00 0.00 -1.92 0.36 119.26 122.22 2vwx h ALA 743 Ca -0.28 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.64 2vwx h ALA 743 Cb 1.16 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2vwx h ALA 743 CO 0.39 0.17 0.17 0.07 0.00 0.00 0.00 179.25 180.04 2vwx h ARG 744 N 0.78 0.00 -0.66 0.00 0.11 -1.94 -1.55 114.38 111.12 2vwx h ARG 744 Ca 0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.42 2vwx h ARG 744 Cb 0.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.39 2vwx h ARG 744 CO -0.12 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.04 2vwx n ASN 745 N -3.41 3.55 -4.57 0.08 3.02 0.12 -4.72 115.26 109.32 2vwx n ASN 745 Ca -0.01 -2.00 -0.35 0.00 -0.03 0.00 0.00 54.58 52.19 2vwx n ASN 745 Cb 0.26 -0.44 -0.11 0.00 -0.61 0.00 0.00 39.78 38.88 2vwx n ASN 745 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2vwx s ILE 746 N -1.12 4.59 0.07 2.41 -1.09 -0.59 -1.01 121.20 124.47 2vwx s ILE 746 Ca 0.44 -0.10 0.02 0.00 -2.23 0.00 0.00 60.65 58.79 2vwx s ILE 746 Cb 0.23 -3.09 -0.04 0.00 -1.58 0.00 0.00 42.46 37.99 2vwx s ILE 746 CO 0.30 0.43 0.10 -0.76 -1.23 0.00 0.00 174.94 173.78 2vwx s LEU 747 N 0.72 3.92 -0.09 2.97 1.43 -0.13 -0.52 118.68 126.98 2vwx s LEU 747 Ca 0.03 0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 2vwx s LEU 747 Cb -0.13 -2.57 0.01 0.00 0.03 0.00 0.00 46.19 43.53 2vwx s LEU 747 CO 0.02 0.18 -0.14 -0.69 0.23 0.00 0.00 176.35 175.95 2vwx s VAL 748 N -1.40 1.32 0.49 -1.59 1.01 -0.35 -0.65 120.40 119.24 2vwx s VAL 748 Ca 0.30 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 2vwx s VAL 748 Cb -0.12 -1.21 0.10 0.00 0.00 0.00 0.00 36.38 35.14 2vwx s VAL 748 CO 0.23 0.40 0.67 -0.46 0.00 0.00 0.00 175.10 175.94 2vwx n ASN 749 N 4.03 0.74 0.26 3.32 0.23 -0.49 -1.04 115.26 122.31 2vwx n ASN 749 Ca -0.20 -1.66 0.12 0.00 -0.53 0.00 0.00 54.58 52.31 2vwx n ASN 749 Cb 0.51 -0.45 0.70 0.00 -2.08 0.00 0.00 39.78 38.47 2vwx n ASN 749 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2vwx h SER 750 N -0.49 0.00 -0.54 0.53 0.02 -1.92 -1.10 113.55 110.05 2vwx h SER 750 Ca -0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2vwx h SER 750 Cb 0.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2vwx h SER 750 CO 0.22 0.13 0.00 0.59 -1.14 0.00 0.00 176.83 176.63 2vwx n ASN 751 N -3.62 3.09 -0.35 3.07 3.02 -1.26 -4.92 115.26 114.28 2vwx n ASN 751 Ca -0.02 -2.06 -0.05 0.00 -0.03 0.00 0.00 54.58 52.43 2vwx n ASN 751 Cb 0.25 -0.39 -0.02 0.00 -0.61 0.00 0.00 39.78 39.01 2vwx n ASN 751 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2vwx n LEU 752 N 1.06 -0.07 -4.71 3.41 4.77 -0.41 -4.99 117.00 116.05 2vwx n LEU 752 Ca 0.19 0.11 -0.42 0.00 -0.03 0.00 0.00 56.01 55.86 2vwx n LEU 752 Cb 0.51 -1.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.01 2vwx n LEU 752 CO 0.14 -0.51 1.00 -0.69 -1.33 0.00 0.00 177.39 176.00 2vwx s VAL 753 N -1.90 3.60 -0.16 4.08 1.01 -1.26 -4.75 120.40 121.01 2vwx s VAL 753 Ca 0.00 1.13 -0.11 0.00 0.00 0.00 0.00 61.98 63.00 2vwx s VAL 753 Cb 0.00 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 2vwx s VAL 753 CO 0.00 0.08 0.20 0.00 0.00 0.00 0.00 175.10 175.38 2vwx s LYS 755 N 0.03 0.87 0.17 0.00 1.02 0.18 -4.35 119.74 117.66 2vwx s LYS 755 Ca 0.13 -0.45 -0.30 0.00 0.02 0.00 0.00 55.97 55.37 2vwx s LYS 755 Cb -0.12 -0.84 -0.08 0.00 -0.52 0.00 0.00 37.83 36.27 2vwx s LYS 755 CO 0.02 0.22 1.20 0.08 -0.92 0.00 0.00 175.35 175.95 2vwx s VAL 756 N -0.38 3.62 0.36 3.17 1.01 -0.11 -0.95 120.40 127.12 2vwx s VAL 756 Ca 0.03 1.34 0.04 0.00 0.00 0.00 0.00 61.98 63.39 2vwx s VAL 756 Cb -0.05 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 2vwx s VAL 756 CO -0.00 0.20 0.13 -0.94 0.00 0.00 0.00 175.10 174.49 2vwx s SER 757 N 0.21 2.27 0.00 3.32 1.04 -0.18 -1.63 113.70 118.73 2vwx s SER 757 Ca 0.53 -1.58 0.00 0.00 0.48 0.00 0.00 55.95 55.38 2vwx s SER 757 Cb -0.32 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.15 2vwx s SER 757 CO 0.36 -0.86 0.00 -0.67 0.98 0.00 0.00 173.24 173.05 2vwx n ASP 758 N -1.06 -1.68 -4.25 7.02 4.64 -1.26 -4.81 116.55 115.14 2vwx n ASP 758 Ca -0.03 0.00 -0.31 0.00 -1.38 0.00 0.00 54.79 53.08 2vwx n ASP 758 Cb 0.65 -0.84 -0.16 0.00 -1.04 0.00 0.00 41.12 39.73 2vwx n ASP 758 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 2vwx s PHE 759 N -0.04 2.30 0.00 -0.67 0.40 -1.26 -4.95 117.98 113.76 2vwx s PHE 759 Ca 0.00 -0.64 0.00 0.00 -0.60 0.00 0.00 56.93 55.69 2vwx s PHE 759 Cb 0.00 -1.51 0.00 0.00 0.51 0.00 0.00 43.02 42.02 2vwx s PHE 759 CO 0.00 -0.18 0.00 0.41 0.70 0.00 0.00 175.22 176.15 2vwx n GLY 760 N 2.89 1.55 0.51 4.36 0.00 -1.26 -4.25 105.19 108.98 2vwx n GLY 760 Ca -0.17 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 45.77 2vwx n GLY 760 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2vwx n LEU 761 N 0.00 2.71 -4.75 0.99 4.77 -1.26 -5.02 117.00 114.44 2vwx n LEU 761 Ca 0.00 -1.97 -0.41 0.00 -0.03 0.00 0.00 56.01 53.60 2vwx n LEU 761 Cb 0.00 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 40.87 2vwx n LEU 761 CO 0.00 0.68 0.80 -0.44 -1.33 0.00 0.00 177.39 177.09 2vwx s SER 762 N -0.99 7.26 0.60 -1.43 0.01 -1.26 -4.98 113.70 112.91 2vwx s SER 762 Ca 0.18 2.20 -0.20 0.00 1.31 0.00 0.00 55.95 59.45 2vwx s SER 762 Cb 0.10 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.68 2vwx s SER 762 CO 0.13 -0.19 1.31 0.54 0.41 0.00 0.00 173.24 175.44 2vwx n ARG 763 N 1.73 1.35 -1.49 12.44 5.12 -1.26 -4.58 116.66 129.97 2vwx n ARG 763 Ca 0.01 0.51 -0.33 0.00 -1.93 0.00 0.00 57.85 56.11 2vwx n ARG 763 Cb 0.45 -2.54 0.08 0.00 -1.16 0.00 0.00 32.46 29.29 2vwx n ARG 763 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2vwx s PHE 764 N -1.35 2.37 0.38 -1.55 0.40 -1.26 -3.57 117.98 113.40 2vwx s PHE 764 Ca 0.78 1.59 0.09 0.00 -0.60 0.00 0.00 56.93 58.78 2vwx s PHE 764 Cb -0.40 -3.24 0.83 0.00 0.51 0.00 0.00 43.02 40.72 2vwx s PHE 764 CO 0.44 -2.05 1.95 1.37 0.70 0.00 0.00 175.22 177.63 2vwx h LEU 765 N -0.42 0.58 -2.17 -0.37 8.10 -1.04 0.22 115.31 120.20 2vwx h LEU 765 Ca -0.46 0.01 -0.01 0.00 0.11 0.00 0.00 57.88 57.53 2vwx h LEU 765 Cb 1.26 -0.11 -0.00 0.00 -0.44 0.00 0.00 40.66 41.37 2vwx h LEU 765 CO 0.51 0.36 -0.04 -0.33 -4.11 0.00 0.00 178.44 174.83 2vwx h GLU 766 N 0.65 0.00 0.00 0.17 3.07 -1.91 -2.85 114.58 113.71 2vwx h GLU 766 Ca 0.33 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.07 2vwx h GLU 766 Cb 0.41 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 2vwx h GLU 766 CO -0.11 0.04 -0.92 0.93 -1.40 0.00 0.00 179.01 177.55 2vwx h GLU 767 N 0.00 0.00 0.00 2.33 5.08 -0.92 -3.48 114.58 117.60 2vwx h GLU 767 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2vwx h GLU 767 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2vwx h GLU 767 CO 0.01 0.33 0.00 0.09 -1.00 0.00 0.00 179.01 178.44 2vwx n ASN 768 N -3.02 0.00 -4.63 1.42 3.02 -1.08 -4.96 115.26 106.02 2vwx n ASN 768 Ca -0.03 -0.19 -0.45 0.00 -0.03 0.00 0.00 54.58 53.88 2vwx n ASN 768 Cb 0.75 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.90 2vwx n ASN 768 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2vwx n SER 769 N -0.56 2.02 -0.05 6.41 3.41 -1.26 -4.82 113.62 118.77 2vwx n SER 769 Ca 0.00 1.16 0.03 0.00 -0.26 0.00 0.00 58.87 59.80 2vwx n SER 769 Cb 0.00 -1.35 0.06 0.00 -0.26 0.00 0.00 64.21 62.66 2vwx n SER 769 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2vwx n SER 770 N 1.69 0.01 -1.73 4.04 3.41 -1.26 -4.99 113.62 114.79 2vwx n SER 770 Ca 0.11 0.24 -0.17 0.00 -0.26 0.00 0.00 58.87 58.79 2vwx n SER 770 Cb 0.30 -0.10 0.16 0.00 -0.26 0.00 0.00 64.21 64.31 2vwx n SER 770 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2vwx n ASP 771 N -3.66 3.85 0.00 4.04 8.00 -1.26 -5.18 116.55 122.34 2vwx n ASP 771 Ca 0.04 -3.74 0.00 0.00 0.71 0.00 0.00 54.79 51.80 2vwx n ASP 771 Cb 0.14 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 2vwx n ASP 771 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vwx n GLY 779 N -1.06 0.53 7.00 0.44 0.00 -1.23 -5.12 105.19 105.75 2vwx n GLY 779 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 2vwx n GLY 779 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vwx n GLY 780 N -1.21 -1.91 3.89 -0.02 0.00 -1.26 -4.76 105.19 99.92 2vwx n GLY 780 Ca 0.00 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 2vwx n GLY 780 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vwx s LYS 781 N 0.00 3.70 0.15 1.61 -0.14 -1.26 -0.41 119.74 123.39 2vwx s LYS 781 Ca 0.00 0.23 -0.31 0.00 -1.36 0.00 0.00 55.97 54.53 2vwx s LYS 781 Cb 0.00 -2.52 -0.11 0.00 -1.68 0.00 0.00 37.83 33.53 2vwx s LYS 781 CO 0.00 0.08 1.74 0.42 -0.76 0.00 0.00 175.35 176.83 2vwx s ILE 782 N -2.24 2.43 -1.08 2.17 1.01 -1.26 -4.87 121.20 117.35 2vwx s ILE 782 Ca 0.48 0.14 -0.22 0.00 0.00 0.00 0.00 60.65 61.05 2vwx s ILE 782 Cb -0.10 -3.09 0.01 0.00 0.01 0.00 0.00 42.46 39.28 2vwx s ILE 782 CO 0.31 0.01 1.73 -2.16 0.00 0.00 0.00 174.94 174.82 2vwx s PRO 783 N 1.98 3.23 0.18 2.79 0.04 -1.26 -4.85 135.00 137.11 2vwx s PRO 783 Ca 0.77 -1.12 -0.14 0.00 0.04 0.00 0.00 61.00 60.54 2vwx s PRO 783 Cb -0.46 -5.31 0.16 0.00 0.04 0.00 0.00 34.50 28.94 2vwx s PRO 783 CO 0.34 -2.83 1.68 0.82 0.04 0.00 0.00 177.00 177.05 2vwx h ILE 784 N 6.52 0.62 0.00 0.56 1.08 -1.93 -0.97 117.51 123.39 2vwx h ILE 784 Ca 0.23 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.67 2vwx h ILE 784 Cb 0.96 0.51 0.00 0.00 -3.07 0.00 0.00 36.82 35.23 2vwx h ILE 784 CO 1.34 0.02 0.00 0.03 -0.69 0.00 0.00 178.15 178.85 2vwx h ARG 785 N 0.10 0.00 -0.01 2.37 3.08 -1.93 -1.84 114.38 116.15 2vwx h ARG 785 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 2vwx h ARG 785 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2vwx h ARG 785 CO -0.40 0.00 -0.65 0.91 -1.07 0.00 0.00 179.97 178.76 2vwx n TRP 786 N -3.05 0.00 -4.01 3.04 8.01 -0.40 -5.00 117.44 116.04 2vwx n TRP 786 Ca -0.02 0.00 -0.36 0.00 -1.31 0.00 0.00 57.50 55.81 2vwx n TRP 786 Cb 0.13 0.00 -0.07 0.00 -2.01 0.00 0.00 31.31 29.36 2vwx n TRP 786 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 2vwx s THR 787 N -2.62 5.18 0.49 -0.99 2.01 -0.69 -3.56 115.64 115.46 2vwx s THR 787 Ca 0.14 0.08 -0.22 0.00 0.31 0.00 0.00 61.69 62.00 2vwx s THR 787 Cb 0.17 -3.24 -0.06 0.00 0.01 0.00 0.00 72.50 69.37 2vwx s THR 787 CO 0.66 0.61 1.22 0.00 -0.69 0.00 0.00 174.62 176.42 2vwx s ALA 788 N -0.90 2.91 0.30 7.40 0.00 -1.26 -4.79 121.76 125.41 2vwx s ALA 788 Ca 0.14 1.05 -0.01 0.00 0.00 0.00 0.00 51.96 53.14 2vwx s ALA 788 Cb -0.12 -3.44 0.49 0.00 0.00 0.00 0.00 23.12 20.05 2vwx s ALA 788 CO 0.03 -0.88 1.93 -1.00 0.00 0.00 0.00 175.76 175.84 2vwx h PRO 789 N 1.82 1.05 0.00 0.00 0.13 -1.95 -0.88 132.00 132.15 2vwx h PRO 789 Ca -0.50 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 64.49 2vwx h PRO 789 Cb 1.26 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 2vwx h PRO 789 CO 0.59 0.69 -0.39 1.05 -0.23 0.00 0.00 178.00 179.71 2vwx h GLU 790 N 1.08 0.00 -0.15 0.86 9.09 -1.91 -0.41 114.58 123.13 2vwx h GLU 790 Ca 0.37 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.63 2vwx h GLU 790 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.19 2vwx h GLU 790 CO -0.12 0.39 -0.48 0.00 0.05 0.00 0.00 179.01 178.85 2vwx h ALA 791 N 1.61 0.26 0.18 1.06 0.00 -1.40 0.05 119.26 121.03 2vwx h ALA 791 Ca -0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2vwx h ALA 791 Cb 0.80 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2vwx h ALA 791 CO 0.05 0.43 -0.09 0.82 0.00 0.00 0.00 179.25 180.46 2vwx h ILE 792 N 0.25 0.84 -0.36 0.00 2.04 -1.09 0.20 117.51 119.39 2vwx h ILE 792 Ca -0.02 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 2vwx h ILE 792 Cb 1.10 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 2vwx h ILE 792 CO 0.10 0.03 -0.06 0.00 0.00 0.00 0.00 178.15 178.22 2vwx h ALA 793 N 0.51 0.50 -0.00 1.87 0.00 -1.08 -3.36 119.26 117.70 2vwx h ALA 793 Ca -0.03 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2vwx h ALA 793 Cb 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2vwx h ALA 793 CO 0.04 0.32 -0.04 1.19 0.00 0.00 0.00 179.25 180.77 2vwx n PHE 794 N -4.42 0.00 -2.27 0.00 0.99 0.00 -5.00 117.46 106.75 2vwx n PHE 794 Ca -0.02 0.00 -0.19 0.00 -0.00 0.00 0.00 57.45 57.24 2vwx n PHE 794 Cb 0.32 0.00 -0.02 0.00 -1.00 0.00 0.00 39.48 38.78 2vwx n PHE 794 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2vwx n ARG 795 N -0.58 -1.53 -3.10 -1.08 1.74 0.71 -4.97 116.66 107.87 2vwx n ARG 795 Ca 0.01 0.97 -0.44 0.00 -0.77 0.00 0.00 57.85 57.62 2vwx n ARG 795 Cb 0.03 -5.52 -0.05 0.00 -1.02 0.00 0.00 32.46 25.90 2vwx n ARG 795 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2vwx s LYS 796 N -4.81 3.11 -0.24 5.56 -0.14 -1.25 -4.98 119.74 117.00 2vwx s LYS 796 Ca 0.00 -0.97 -0.12 0.00 -1.36 0.00 0.00 55.97 53.52 2vwx s LYS 796 Cb 0.00 -4.16 -0.05 0.00 -1.68 0.00 0.00 37.83 31.95 2vwx s LYS 796 CO 0.00 -1.38 0.23 -0.06 -0.76 0.00 0.00 175.35 173.38 2vwx s PHE 797 N 2.84 3.31 0.26 3.18 0.40 -1.26 -4.03 117.98 122.69 2vwx s PHE 797 Ca 0.16 0.31 0.02 0.00 -0.60 0.00 0.00 56.93 56.82 2vwx s PHE 797 Cb -0.20 -2.36 -0.04 0.00 0.51 0.00 0.00 43.02 40.93 2vwx s PHE 797 CO 0.11 0.01 0.16 0.95 0.70 0.00 0.00 175.22 177.14 2vwx s THR 798 N 1.25 0.17 0.52 0.64 -4.23 -1.26 -4.99 115.64 107.73 2vwx s THR 798 Ca 0.10 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.78 2vwx s THR 798 Cb -0.14 -2.52 0.27 0.00 1.34 0.00 0.00 72.50 71.45 2vwx s THR 798 CO 0.06 0.00 2.15 0.28 -0.54 0.00 0.00 174.62 176.57 2vwx h SER 799 N 2.38 0.00 0.23 3.99 0.02 -1.97 -0.93 113.55 117.27 2vwx h SER 799 Ca -0.34 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.49 2vwx h SER 799 Cb 1.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 2vwx h SER 799 CO 0.51 0.00 -0.48 0.00 -1.14 0.00 0.00 176.83 175.72 2vwx h ALA 800 N 1.99 0.97 -0.17 3.77 0.00 -1.95 -0.05 119.26 123.83 2vwx h ALA 800 Ca 0.01 -0.46 -0.16 0.00 0.00 0.00 0.00 54.91 54.29 2vwx h ALA 800 Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2vwx h ALA 800 CO -0.00 0.65 -0.57 0.66 0.00 0.00 0.00 179.25 179.98 2vwx h SER 801 N 0.24 0.61 -0.64 0.00 4.64 -1.57 -2.89 113.55 113.94 2vwx h SER 801 Ca 0.01 -0.34 0.04 0.00 -0.47 0.00 0.00 61.79 61.04 2vwx h SER 801 Cb 0.93 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.81 2vwx h SER 801 CO 0.08 1.05 0.42 0.44 -0.87 0.00 0.00 176.83 177.95 2vwx h ASP 802 N 0.42 0.63 -0.75 4.97 3.32 -0.62 -1.91 116.42 122.48 2vwx h ASP 802 Ca 0.00 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2vwx h ASP 802 Cb 1.12 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.49 2vwx h ASP 802 CO 0.11 0.42 0.37 0.00 -1.72 0.00 0.00 179.24 178.42 2vwx h ALA 803 N 1.64 1.22 0.27 3.45 0.00 -0.82 0.16 119.26 125.17 2vwx h ALA 803 Ca 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2vwx h ALA 803 Cb 0.13 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2vwx h ALA 803 CO -0.08 0.60 -0.32 2.35 0.00 0.00 0.00 179.25 181.80 2vwx h TRP 804 N 1.08 -0.87 -0.74 0.00 2.91 -1.24 -1.38 115.95 115.71 2vwx h TRP 804 Ca 0.26 0.01 0.12 0.00 1.13 0.00 0.00 58.89 60.41 2vwx h TRP 804 Cb 0.10 0.35 -0.08 0.00 -0.51 0.00 0.00 29.16 29.01 2vwx h TRP 804 CO 0.01 -0.45 0.34 0.77 -1.03 0.00 0.00 178.44 178.08 2vwx h SER 805 N -0.64 0.39 -1.00 2.65 0.02 -0.95 0.35 113.55 114.37 2vwx h SER 805 Ca -0.00 0.08 0.09 0.00 -0.84 0.00 0.00 61.79 61.12 2vwx h SER 805 Cb 0.60 0.03 -0.08 0.00 0.14 0.00 0.00 62.40 63.09 2vwx h SER 805 CO -0.10 0.19 0.64 0.22 -1.14 0.00 0.00 176.83 176.64 2vwx h TYR 806 N 0.53 1.16 -0.97 3.45 3.20 -0.23 0.31 116.97 124.43 2vwx h TYR 806 Ca 0.38 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.30 2vwx h TYR 806 Cb 0.50 -0.38 -0.05 0.00 1.54 0.00 0.00 36.73 38.34 2vwx h TYR 806 CO -0.13 0.53 0.64 0.78 -1.64 0.00 0.00 178.16 178.34 2vwx h GLY 807 N 1.07 1.37 0.97 1.82 0.00 0.15 0.93 103.07 109.39 2vwx h GLY 807 Ca 0.47 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 2vwx h GLY 807 CO -0.22 0.48 0.21 -2.22 0.00 0.00 0.00 176.54 174.79 2vwx h ILE 808 N 1.29 1.21 -0.95 2.60 1.08 -0.38 -2.04 117.51 120.33 2vwx h ILE 808 Ca 0.36 -0.65 0.08 0.00 -0.39 0.00 0.00 64.86 64.26 2vwx h ILE 808 Cb -0.12 0.69 -0.07 0.00 -3.07 0.00 0.00 36.82 34.25 2vwx h ILE 808 CO -0.09 0.25 0.60 0.58 -0.69 0.00 0.00 178.15 178.80 2vwx h VAL 809 N 0.68 1.03 -0.38 1.67 2.07 0.29 -0.47 116.25 121.14 2vwx h VAL 809 Ca 0.17 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.35 2vwx h VAL 809 Cb 0.19 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 29.81 2vwx h VAL 809 CO -0.01 0.19 0.19 0.24 0.02 0.00 0.00 177.57 178.20 2vwx h MET 810 N 1.05 0.39 -0.47 1.57 2.86 -0.28 0.20 114.93 120.25 2vwx h MET 810 Ca 0.42 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 58.06 2vwx h MET 810 Cb 0.24 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 2vwx h MET 810 CO -0.19 0.26 0.29 2.35 1.06 0.00 0.00 176.91 180.67 2vwx h TRP 811 N 0.40 0.54 -0.97 -0.22 7.01 -0.74 -0.91 115.95 121.07 2vwx h TRP 811 Ca 0.16 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.19 2vwx h TRP 811 Cb 0.06 -0.18 -0.05 0.00 -2.10 0.00 0.00 29.16 26.89 2vwx h TRP 811 CO -0.10 0.32 0.64 0.93 -2.79 0.00 0.00 178.44 177.45 2vwx h GLU 812 N 0.58 1.25 -0.02 2.65 5.08 -0.48 -0.89 114.58 122.75 2vwx h GLU 812 Ca 0.18 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2vwx h GLU 812 Cb -0.02 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 28.95 2vwx h GLU 812 CO -0.07 0.83 -0.03 0.28 -1.00 0.00 0.00 179.01 179.02 2vwx h VAL 813 N 1.29 1.40 0.00 3.13 2.07 -0.52 0.20 116.25 123.82 2vwx h VAL 813 Ca 0.37 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.67 2vwx h VAL 813 Cb -0.10 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 2vwx h VAL 813 CO -0.09 0.32 0.00 0.24 0.02 0.00 0.00 177.57 178.06 2vwx h MET 814 N -0.43 0.00 -0.23 1.57 2.86 -1.09 -1.22 114.93 116.39 2vwx h MET 814 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2vwx h MET 814 Cb 0.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.20 2vwx h MET 814 CO 0.01 0.00 0.00 0.43 1.06 0.00 0.00 176.91 178.41 2vwx n SER 815 N -2.34 2.42 -3.81 1.22 7.64 -0.35 -4.72 113.62 113.68 2vwx n SER 815 Ca 0.02 -1.83 -0.26 0.00 1.01 0.00 0.00 58.87 57.81 2vwx n SER 815 Cb 0.24 -0.14 0.03 0.00 -1.01 0.00 0.00 64.21 63.33 2vwx n SER 815 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2vwx n PHE 816 N 0.83 -2.21 -1.22 1.43 3.01 -0.46 -3.43 117.46 115.41 2vwx n PHE 816 Ca 0.17 0.89 0.00 0.00 1.01 0.00 0.00 57.45 59.52 2vwx n PHE 816 Cb 0.45 -4.22 0.00 0.00 -0.01 0.00 0.00 39.48 35.71 2vwx n PHE 816 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2vwx n GLY 817 N -1.67 0.58 3.78 1.37 0.00 0.66 -3.10 105.19 106.82 2vwx n GLY 817 Ca -0.09 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 2vwx n GLY 817 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2vwx s GLU 818 N -2.53 2.46 -0.13 1.61 2.56 -1.22 -4.89 118.70 116.56 2vwx s GLU 818 Ca 0.00 1.10 -0.29 0.00 0.00 0.00 0.00 54.97 55.78 2vwx s GLU 818 Cb 0.00 -1.92 -0.01 0.00 2.00 0.00 0.00 34.13 34.19 2vwx s GLU 818 CO 0.00 -1.48 1.14 0.50 -0.56 0.00 0.00 175.26 174.85 2vwx s ARG 819 N -4.95 4.32 0.15 4.30 3.52 -1.26 -4.77 118.95 120.26 2vwx s ARG 819 Ca 0.60 1.54 -0.34 0.00 -0.13 0.00 0.00 55.73 57.40 2vwx s ARG 819 Cb -0.16 -3.62 -0.14 0.00 -1.56 0.00 0.00 34.95 29.47 2vwx s ARG 819 CO 0.56 -0.52 1.55 -2.30 -0.81 0.00 0.00 175.30 173.78 2vwx n PRO 820 N 5.73 2.02 -1.22 5.12 -0.02 -1.26 -1.33 135.00 144.04 2vwx n PRO 820 Ca 0.11 0.73 -0.07 0.00 -2.02 0.00 0.00 63.50 62.25 2vwx n PRO 820 Cb 0.46 -2.48 -0.03 0.00 -0.02 0.00 0.00 33.50 31.43 2vwx n PRO 820 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2vwx n TYR 821 N 3.32 0.00 0.00 6.00 4.01 -1.26 -4.87 117.16 124.36 2vwx n TYR 821 Ca 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 2vwx n TYR 821 Cb 0.27 -1.84 0.00 0.00 -0.31 0.00 0.00 39.34 37.46 2vwx n TYR 821 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2vwx n TRP 822 N -2.55 0.00 0.02 -0.72 8.01 -0.44 -1.04 117.44 120.72 2vwx n TRP 822 Ca -0.07 0.00 0.07 0.00 -1.31 0.00 0.00 57.50 56.19 2vwx n TRP 822 Cb 0.36 0.00 0.26 0.00 -2.01 0.00 0.00 31.31 29.93 2vwx n TRP 822 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 2vwx n ASP 823 N 4.33 3.51 -4.77 -0.99 3.85 -1.26 -4.94 116.55 116.28 2vwx n ASP 823 Ca 0.00 -2.26 -0.41 0.00 -0.71 0.00 0.00 54.79 51.42 2vwx n ASP 823 Cb 0.00 -0.47 -0.01 0.00 -1.35 0.00 0.00 41.12 39.29 2vwx n ASP 823 CO 0.00 0.00 0.00 -0.04 -1.01 0.00 0.00 177.20 176.15 2vwx s MET 824 N -1.66 4.19 0.83 0.11 -1.94 -0.20 -4.99 119.30 115.64 2vwx s MET 824 Ca 0.38 2.33 -0.11 0.00 -1.71 0.00 0.00 55.69 56.58 2vwx s MET 824 Cb 0.23 -2.98 0.09 0.00 2.01 0.00 0.00 34.83 34.19 2vwx s MET 824 CO 0.20 -0.37 1.09 -1.54 -0.01 0.00 0.00 175.02 174.39 2vwx s SER 825 N -0.41 4.09 0.21 3.03 1.04 -1.26 -4.82 113.70 115.58 2vwx s SER 825 Ca 0.52 1.59 -0.09 0.00 0.48 0.00 0.00 55.95 58.45 2vwx s SER 825 Cb -0.42 -2.30 0.24 0.00 0.10 0.00 0.00 66.02 63.65 2vwx s SER 825 CO 0.56 -2.27 1.81 0.78 0.98 0.00 0.00 173.24 175.11 2vwx h ASN 826 N -1.29 0.58 -0.25 7.02 2.35 -2.00 -0.46 115.58 121.54 2vwx h ASN 826 Ca -0.47 0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.20 2vwx h ASN 826 Cb 1.26 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.52 2vwx h ASN 826 CO 0.54 0.38 -0.21 -0.61 -1.65 0.00 0.00 177.43 175.88 2vwx h GLN 827 N 0.72 0.72 -0.46 0.81 5.75 -2.00 -1.87 115.11 118.77 2vwx h GLN 827 Ca 0.30 -0.28 0.06 0.00 -0.15 0.00 0.00 58.65 58.59 2vwx h GLN 827 Cb 0.18 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.63 2vwx h GLN 827 CO -0.18 0.87 0.15 -0.44 -2.65 0.00 0.00 178.83 176.58 2vwx h ASP 828 N 0.63 0.14 0.08 -0.69 3.32 -1.74 -1.04 116.42 117.12 2vwx h ASP 828 Ca 0.09 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.21 2vwx h ASP 828 Cb 0.69 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 2vwx h ASP 828 CO 0.05 0.11 -0.09 0.58 -1.72 0.00 0.00 179.24 178.17 2vwx h VAL 829 N 0.31 0.78 -0.39 -1.35 2.07 -0.85 0.05 116.25 116.88 2vwx h VAL 829 Ca 0.22 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.80 2vwx h VAL 829 Cb 0.23 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 2vwx h VAL 829 CO -0.23 0.00 0.04 0.40 0.02 0.00 0.00 177.57 177.80 2vwx h ILE 830 N -0.20 0.76 -0.49 4.57 2.04 -1.16 -1.41 117.51 121.62 2vwx h ILE 830 Ca 0.01 -0.05 -0.09 0.00 1.00 0.00 0.00 64.86 65.72 2vwx h ILE 830 Cb 0.20 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2vwx h ILE 830 CO -0.04 0.03 -0.05 0.78 0.00 0.00 0.00 178.15 178.88 2vwx h ASN 831 N 0.16 0.88 0.11 1.72 2.35 -1.09 -2.51 115.58 117.21 2vwx h ASN 831 Ca 0.19 -0.33 -0.00 0.00 -0.55 0.00 0.00 56.30 55.61 2vwx h ASN 831 Cb 0.24 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 2vwx h ASN 831 CO -0.27 1.00 -0.08 0.00 -1.65 0.00 0.00 177.43 176.43 2vwx h ALA 832 N 0.91 -0.18 -0.88 -0.83 0.00 -0.69 -1.15 119.26 116.44 2vwx h ALA 832 Ca 0.13 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2vwx h ALA 832 Cb 0.58 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 2vwx h ALA 832 CO 0.03 -0.61 0.57 0.82 0.00 0.00 0.00 179.25 180.06 2vwx h ILE 833 N -0.20 1.13 -0.04 0.00 1.08 -1.27 0.07 117.51 118.29 2vwx h ILE 833 Ca -0.00 -0.38 -0.04 0.00 -0.39 0.00 0.00 64.86 64.05 2vwx h ILE 833 Cb 0.18 -0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 33.86 2vwx h ILE 833 CO -0.00 0.20 -0.15 -0.08 -0.69 0.00 0.00 178.15 177.43 2vwx h GLU 834 N 1.10 0.06 -0.82 2.37 4.57 -1.24 -2.13 114.58 118.48 2vwx h GLU 834 Ca 0.36 -0.01 -0.21 0.00 -1.18 0.00 0.00 59.36 58.32 2vwx h GLU 834 Cb 0.02 -0.01 -0.12 0.00 -0.16 0.00 0.00 28.75 28.48 2vwx h GLU 834 CO -0.12 0.21 0.26 1.04 -1.18 0.00 0.00 179.01 179.21 2vwx n GLN 835 N -4.34 3.16 -0.90 1.92 1.13 -0.45 -4.93 117.38 112.97 2vwx n GLN 835 Ca -0.02 -2.53 0.00 0.00 -1.94 0.00 0.00 57.00 52.51 2vwx n GLN 835 Cb 0.23 -2.05 0.00 0.00 0.11 0.00 0.00 30.24 28.53 2vwx n GLN 835 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2vwx n ASP 836 N -0.15 -0.53 -4.77 1.08 8.00 -0.80 -4.98 116.55 114.41 2vwx n ASP 836 Ca 0.36 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.46 2vwx n ASP 836 Cb 1.24 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 42.22 2vwx n ASP 836 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2vwx s TYR 837 N -3.45 3.27 0.03 1.24 5.04 -0.08 -4.97 117.35 118.43 2vwx s TYR 837 Ca 0.00 1.58 0.01 0.00 -2.44 0.00 0.00 57.07 56.23 2vwx s TYR 837 Cb 0.00 -3.41 -0.02 0.00 0.35 0.00 0.00 41.96 38.88 2vwx s TYR 837 CO 0.00 -1.11 -0.06 1.03 -1.34 0.00 0.00 175.55 174.07 2vwx s ARG 838 N -1.85 0.44 0.38 4.97 1.81 -1.26 -4.18 118.95 119.26 2vwx s ARG 838 Ca 0.50 -0.68 -0.27 0.00 -1.72 0.00 0.00 55.73 53.56 2vwx s ARG 838 Cb -0.33 -0.15 -0.11 0.00 -0.45 0.00 0.00 34.95 33.91 2vwx s ARG 838 CO 0.42 0.02 1.28 1.28 -0.68 0.00 0.00 175.30 177.62 2vwx n LEU 839 N 1.57 3.79 -4.92 2.53 4.77 -1.26 -4.98 117.00 118.50 2vwx n LEU 839 Ca -0.23 1.16 -0.27 0.00 -0.03 0.00 0.00 56.01 56.64 2vwx n LEU 839 Cb 0.55 -1.49 0.07 0.00 -2.33 0.00 0.00 43.42 40.21 2vwx n LEU 839 CO 0.21 -0.56 0.66 -2.16 -1.33 0.00 0.00 177.39 174.21 2vwx s PRO 840 N -2.04 2.29 0.21 3.23 0.04 -1.26 -4.98 135.00 132.49 2vwx s PRO 840 Ca 0.58 -0.08 -0.31 0.00 0.04 0.00 0.00 61.00 61.23 2vwx s PRO 840 Cb -0.54 -2.12 -0.10 0.00 0.04 0.00 0.00 34.50 31.78 2vwx s PRO 840 CO 0.60 -1.24 1.49 -2.14 0.04 0.00 0.00 177.00 175.76 2vwx s PRO 841 N -5.30 4.24 0.92 0.56 0.02 -1.26 -4.96 135.00 129.21 2vwx s PRO 841 Ca 0.60 2.33 -0.10 0.00 0.02 0.00 0.00 61.00 63.84 2vwx s PRO 841 Cb -0.11 -3.13 0.15 0.00 0.02 0.00 0.00 34.50 31.43 2vwx s PRO 841 CO 0.46 -0.50 1.14 -2.14 -0.33 0.00 0.00 177.00 175.63 2vwx s PRO 842 N 0.25 0.99 0.22 5.54 0.02 -1.26 -4.86 135.00 135.89 2vwx s PRO 842 Ca 0.64 1.51 -0.31 0.00 0.02 0.00 0.00 61.00 62.85 2vwx s PRO 842 Cb -0.43 -1.73 -0.14 0.00 0.02 0.00 0.00 34.50 32.22 2vwx s PRO 842 CO 0.38 -2.64 1.24 -2.30 -0.33 0.00 0.00 177.00 173.36 2vwx n PRO 843 N -4.23 1.55 -0.95 5.54 -0.02 -1.26 -1.21 135.00 134.41 2vwx n PRO 843 Ca 0.11 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2vwx n PRO 843 Cb 0.52 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 2vwx n PRO 843 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2vwx n ASP 844 N 1.92 -4.58 -4.69 2.55 8.00 -1.26 -4.92 116.55 113.58 2vwx n ASP 844 Ca 0.13 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.20 2vwx n ASP 844 Cb 0.29 -2.63 -0.03 0.00 -0.02 0.00 0.00 41.12 38.73 2vwx n ASP 844 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vwx n PRO 846 N 5.37 1.50 -0.26 0.00 -0.02 -1.26 -4.38 135.00 135.95 2vwx n PRO 846 Ca 0.12 0.54 0.09 0.00 -2.02 0.00 0.00 63.50 62.23 2vwx n PRO 846 Cb 0.45 -2.19 0.34 0.00 -0.02 0.00 0.00 33.50 32.08 2vwx n PRO 846 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2vwx h THR 847 N 3.27 0.93 -0.67 3.45 2.02 -1.28 -1.46 112.91 119.18 2vwx h THR 847 Ca -0.46 -0.27 0.03 0.00 0.77 0.00 0.00 66.41 66.48 2vwx h THR 847 Cb 1.31 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 2vwx h THR 847 CO 0.79 0.14 0.44 0.77 0.37 0.00 0.00 175.52 178.04 2vwx h SER 848 N 0.78 0.71 -0.27 4.18 4.64 -1.86 0.24 113.55 121.98 2vwx h SER 848 Ca 0.40 -0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.56 2vwx h SER 848 Cb 0.49 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2vwx h SER 848 CO -0.17 0.50 -0.41 -0.07 -0.87 0.00 0.00 176.83 175.81 2vwx h LEU 849 N 0.83 0.83 -1.06 5.97 3.38 -1.65 -2.23 115.31 121.38 2vwx h LEU 849 Ca 0.26 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 2vwx h LEU 849 Cb 0.02 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 2vwx h LEU 849 CO -0.07 1.18 0.53 -0.74 0.09 0.00 0.00 178.44 179.44 2vwx h HIS 850 N 0.50 1.14 -0.63 1.13 2.76 -0.83 -1.27 115.15 117.95 2vwx h HIS 850 Ca 0.03 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.15 2vwx h HIS 850 Cb 1.00 -0.38 -0.03 0.00 1.55 0.00 0.00 27.41 29.56 2vwx h HIS 850 CO 0.08 0.75 0.19 0.37 -1.30 0.00 0.00 177.93 178.02 2vwx h GLN 851 N 1.20 0.98 -0.73 5.26 5.75 -0.44 -0.20 115.11 126.93 2vwx h GLN 851 Ca 0.31 -0.22 -0.03 0.00 -0.15 0.00 0.00 58.65 58.57 2vwx h GLN 851 Cb -0.06 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.31 2vwx h GLN 851 CO -0.06 0.87 0.36 1.25 -2.65 0.00 0.00 178.83 178.60 2vwx h LEU 852 N 0.91 0.94 -0.17 -2.39 5.85 -0.85 0.08 115.31 119.68 2vwx h LEU 852 Ca 0.20 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.86 2vwx h LEU 852 Cb 0.30 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2vwx h LEU 852 CO -0.00 0.79 -0.05 0.24 -0.34 0.00 0.00 178.44 179.07 2vwx h MET 853 N 1.03 -0.01 -0.67 1.25 2.86 -0.62 -0.81 114.93 117.96 2vwx h MET 853 Ca 0.25 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.92 2vwx h MET 853 Cb 0.10 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.72 2vwx h MET 853 CO -0.03 -0.01 0.44 -0.07 1.06 0.00 0.00 176.91 178.30 2vwx h LEU 854 N -0.01 0.70 -0.35 1.22 3.38 -0.38 -0.70 115.31 119.17 2vwx h LEU 854 Ca 0.08 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2vwx h LEU 854 Cb 0.14 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2vwx h LEU 854 CO -0.18 0.49 0.13 0.44 0.09 0.00 0.00 178.44 179.41 2vwx h ASP 855 N 0.82 0.49 -0.14 -0.43 3.32 -0.51 -2.51 116.42 117.46 2vwx h ASP 855 Ca 0.26 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2vwx h ASP 855 Cb 0.04 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 2vwx h ASP 855 CO -0.07 0.53 0.08 0.00 -1.72 0.00 0.00 179.24 178.06 2vwx n TRP 857 N -4.48 1.44 -1.95 0.00 8.01 -0.37 -3.70 117.44 116.40 2vwx n TRP 857 Ca -0.01 -0.61 -0.41 0.00 -1.31 0.00 0.00 57.50 55.17 2vwx n TRP 857 Cb 0.10 -0.42 -0.01 0.00 -2.01 0.00 0.00 31.31 28.97 2vwx n TRP 857 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 2vwx s GLN 858 N -2.13 4.22 0.22 -0.99 -0.21 -1.13 -4.90 119.66 114.74 2vwx s GLN 858 Ca 0.35 2.40 -0.05 0.00 0.02 0.00 0.00 55.36 58.08 2vwx s GLN 858 Cb 0.27 -3.01 0.21 0.00 1.00 0.00 0.00 33.01 31.48 2vwx s GLN 858 CO 0.10 -0.38 1.68 -0.22 -2.12 0.00 0.00 175.29 174.35 2vwx h LYS 859 N 3.16 0.88 -6.59 2.91 1.63 -1.93 -3.38 116.57 113.25 2vwx h LYS 859 Ca -0.50 -0.28 -0.56 0.00 -0.85 0.00 0.00 60.65 58.46 2vwx h LYS 859 Cb 1.23 -0.08 -0.06 0.00 -0.60 0.00 0.00 32.23 32.73 2vwx h LYS 859 CO 0.65 0.92 1.02 0.34 -3.45 0.00 0.00 179.45 178.92 2vwx s ASP 860 N -6.66 6.43 0.49 4.20 2.15 -1.26 -4.88 116.67 117.13 2vwx s ASP 860 Ca -0.10 0.61 0.16 0.00 0.43 0.00 0.00 52.55 53.65 2vwx s ASP 860 Cb 0.14 -2.54 1.18 0.00 -0.30 0.00 0.00 42.92 41.39 2vwx s ASP 860 CO 0.83 -1.40 2.06 0.08 -0.17 0.00 0.00 175.17 176.58 2vwx h ARG 861 N 10.17 0.17 0.00 4.34 0.11 -1.95 -0.70 114.38 126.51 2vwx h ARG 861 Ca -0.26 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.81 2vwx h ARG 861 Cb 1.09 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.13 2vwx h ARG 861 CO 1.11 0.12 0.00 -0.91 0.10 0.00 0.00 179.97 180.39 2vwx h ASN 862 N 0.18 0.00 1.08 0.08 2.35 -1.93 -2.83 115.58 114.51 2vwx h ASN 862 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2vwx h ASN 862 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 2vwx h ASN 862 CO -0.02 0.00 -0.59 0.00 -1.65 0.00 0.00 177.43 175.16 2vwx h ALA 863 N 2.21 0.65 -2.73 -0.83 0.00 -1.50 -3.47 119.26 113.60 2vwx h ALA 863 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 2vwx h ALA 863 Cb 0.45 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.34 2vwx h ALA 863 CO 0.00 0.00 0.45 1.03 0.00 0.00 0.00 179.25 180.73 2vwx s ARG 864 N -3.22 3.07 0.40 0.00 0.52 -1.07 -4.98 118.95 113.67 2vwx s ARG 864 Ca 0.05 1.73 -0.26 0.00 -0.52 0.00 0.00 55.73 56.73 2vwx s ARG 864 Cb 0.11 -1.95 -0.09 0.00 0.52 0.00 0.00 34.95 33.54 2vwx s ARG 864 CO 0.72 -1.10 1.26 -1.25 0.02 0.00 0.00 175.30 174.95 2vwx s PRO 865 N -3.38 4.02 0.76 3.54 0.04 -1.26 -5.03 135.00 133.70 2vwx s PRO 865 Ca 0.75 2.06 -0.12 0.00 0.04 0.00 0.00 61.00 63.74 2vwx s PRO 865 Cb -0.28 -2.76 0.05 0.00 0.04 0.00 0.00 34.50 31.56 2vwx s PRO 865 CO 0.32 -0.42 1.12 1.03 0.04 0.00 0.00 177.00 179.09 2vwx s ARG 866 N -2.22 2.39 0.35 4.56 0.52 -1.26 -4.85 118.95 118.44 2vwx s ARG 866 Ca 0.56 0.38 0.06 0.00 -0.52 0.00 0.00 55.73 56.21 2vwx s ARG 866 Cb -0.36 -1.98 0.64 0.00 0.52 0.00 0.00 34.95 33.78 2vwx s ARG 866 CO 0.46 -1.35 1.87 0.74 0.02 0.00 0.00 175.30 177.04 2vwx h PHE 867 N -0.88 0.42 -0.75 -0.53 -1.00 -1.93 -1.23 116.94 111.03 2vwx h PHE 867 Ca -0.46 -0.05 0.06 0.00 2.81 0.00 0.00 57.97 60.33 2vwx h PHE 867 Cb 1.28 -0.12 -0.05 0.00 3.61 0.00 0.00 35.95 40.68 2vwx h PHE 867 CO 0.43 0.49 0.50 -1.35 -1.61 0.00 0.00 178.31 176.77 2vwx h PRO 868 N 0.38 0.80 0.01 1.51 0.11 -1.91 -0.17 132.00 132.73 2vwx h PRO 868 Ca 0.08 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 65.94 2vwx h PRO 868 Cb 0.40 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.31 2vwx h PRO 868 CO 0.02 0.53 -0.90 1.96 -0.21 0.00 0.00 178.00 179.40 2vwx h GLN 869 N 0.82 0.11 -0.07 1.05 7.50 -1.64 -1.12 115.11 121.76 2vwx h GLN 869 Ca 0.32 -0.13 -0.00 0.00 0.50 0.00 0.00 58.65 59.34 2vwx h GLN 869 Cb 0.21 0.04 -0.00 0.00 0.05 0.00 0.00 27.48 27.78 2vwx h GLN 869 CO -0.11 0.93 0.04 0.28 -1.50 0.00 0.00 178.83 178.47 2vwx h VAL 870 N 0.05 1.08 -0.29 -0.54 2.07 -0.68 -1.30 116.25 116.64 2vwx h VAL 870 Ca -0.03 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.29 2vwx h VAL 870 Cb 1.55 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 32.39 2vwx h VAL 870 CO 0.13 0.07 0.11 0.58 0.02 0.00 0.00 177.57 178.47 2vwx h VAL 871 N 0.03 0.93 -0.54 2.57 2.07 -0.94 -1.92 116.25 118.45 2vwx h VAL 871 Ca 0.03 -0.08 0.10 0.00 0.82 0.00 0.00 66.70 67.56 2vwx h VAL 871 Cb 0.07 0.67 -0.08 0.00 -1.52 0.00 0.00 31.29 30.44 2vwx h VAL 871 CO -0.00 0.04 0.09 0.28 0.02 0.00 0.00 177.57 178.00 2vwx h SER 872 N 0.24 -0.03 -0.63 0.57 0.02 -1.02 0.58 113.55 113.28 2vwx h SER 872 Ca 0.13 0.10 0.01 0.00 -0.84 0.00 0.00 61.79 61.19 2vwx h SER 872 Cb 0.09 0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 2vwx h SER 872 CO -0.13 0.01 0.41 0.00 -1.14 0.00 0.00 176.83 175.98 2vwx h ALA 873 N 1.43 0.80 -0.29 3.77 0.00 -0.92 -0.93 119.26 123.12 2vwx h ALA 873 Ca 0.27 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 2vwx h ALA 873 Cb 0.39 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2vwx h ALA 873 CO -0.37 0.22 -0.35 -0.07 0.00 0.00 0.00 179.25 178.67 2vwx h LEU 874 N 0.84 0.69 -1.10 0.00 3.38 -0.71 -2.18 115.31 116.24 2vwx h LEU 874 Ca 0.23 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 2vwx h LEU 874 Cb -0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 2vwx h LEU 874 CO -0.06 0.98 0.01 0.44 0.09 0.00 0.00 178.44 179.90 2vwx h ASP 875 N 0.55 0.61 -0.34 -0.43 3.32 -0.57 -1.59 116.42 117.96 2vwx h ASP 875 Ca 0.06 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 2vwx h ASP 875 Cb 0.87 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 2vwx h ASP 875 CO 0.07 0.67 0.03 0.11 -1.72 0.00 0.00 179.24 178.41 2vwx h LYS 876 N 0.61 0.58 -0.45 3.56 6.56 -0.79 -1.75 116.57 124.90 2vwx h LYS 876 Ca 0.13 -0.17 0.02 0.00 -1.06 0.00 0.00 60.65 59.57 2vwx h LYS 876 Cb 0.37 -0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 31.94 2vwx h LYS 876 CO 0.01 0.68 0.26 0.52 -2.06 0.00 0.00 179.45 178.87 2vwx h MET 877 N 0.41 0.52 -0.86 3.15 2.86 -1.08 0.15 114.93 120.06 2vwx h MET 877 Ca 0.10 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 2vwx h MET 877 Cb 0.40 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 2vwx h MET 877 CO 0.01 0.34 0.50 0.82 1.06 0.00 0.00 176.91 179.64 2vwx h ILE 878 N 0.53 1.25 0.00 -1.22 2.04 -1.19 -2.46 117.51 116.46 2vwx h ILE 878 Ca 0.18 -0.58 -0.08 0.00 1.00 0.00 0.00 64.86 65.38 2vwx h ILE 878 Cb 0.01 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.14 2vwx h ILE 878 CO -0.08 0.27 -0.39 0.03 0.00 0.00 0.00 178.15 177.98 2vwx h ARG 879 N 1.20 0.00 -2.18 2.37 -0.00 -0.68 -3.34 114.38 111.75 2vwx h ARG 879 Ca 0.31 0.00 -0.57 0.00 -0.50 0.00 0.00 59.98 59.22 2vwx h ARG 879 Cb -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 29.97 29.55 2vwx h ARG 879 CO -0.05 0.39 -0.78 0.09 0.00 0.00 0.00 179.97 179.61 2vwx n ASN 880 N -3.64 3.23 0.23 7.04 3.02 0.46 -4.95 115.26 120.65 2vwx n ASN 880 Ca -0.01 -3.41 0.15 0.00 -0.03 0.00 0.00 54.58 51.27 2vwx n ASN 880 Cb 0.49 -0.60 0.81 0.00 -0.61 0.00 0.00 39.78 39.86 2vwx n ASN 880 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2vwx h PRO 881 N 3.33 0.00 -0.79 3.52 0.13 -1.60 -2.07 132.00 134.52 2vwx h PRO 881 Ca 0.13 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.42 2vwx h PRO 881 Cb 0.66 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.74 2vwx h PRO 881 CO 0.73 0.00 0.52 0.00 -0.23 0.00 0.00 178.00 179.02 2vwx h ALA 882 N 1.90 2.10 0.00 -0.56 0.00 -1.93 -0.24 119.26 120.54 2vwx h ALA 882 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2vwx h ALA 882 Cb 0.25 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2vwx h ALA 882 CO -0.00 -0.32 -0.01 0.66 0.00 0.00 0.00 179.25 179.58 2vwx h SER 883 N 0.44 0.00 0.47 0.00 4.64 -1.71 -1.55 113.55 115.83 2vwx h SER 883 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 2vwx h SER 883 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 2vwx h SER 883 CO -0.13 0.01 0.00 0.18 -0.87 0.00 0.00 176.83 176.02 2vwx n LEU 884 N -3.95 0.00 0.19 5.97 4.77 -0.10 -3.68 117.00 120.21 2vwx n LEU 884 Ca -0.03 0.27 0.08 0.00 -0.03 0.00 0.00 56.01 56.30 2vwx n LEU 884 Cb 0.09 -0.27 0.28 0.00 -2.33 0.00 0.00 43.42 41.19 2vwx n LEU 884 CO 0.29 -0.03 0.69 0.11 -1.33 0.00 0.00 177.39 177.12 2vwx h LYS 885 N 0.00 0.00 -6.15 3.23 6.56 -1.39 -3.40 116.57 115.41 2vwx h LYS 885 Ca 0.00 0.00 -0.57 0.00 -1.06 0.00 0.00 60.65 59.02 2vwx h LYS 885 Cb 0.23 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.85 2vwx h LYS 885 CO 0.00 0.29 0.89 0.42 -2.06 0.00 0.00 179.45 178.99 2vwx s ILE 886 N -3.36 4.30 0.02 1.86 1.01 -1.24 -5.01 121.20 118.78 2vwx s ILE 886 Ca 0.03 1.58 0.02 0.00 0.00 0.00 0.00 60.65 62.27 2vwx s ILE 886 Cb 0.09 -4.02 -0.02 0.00 0.01 0.00 0.00 42.46 38.52 2vwx s ILE 886 CO 0.68 -0.14 -0.07 -0.69 0.00 0.00 0.00 174.94 174.72 2vwx s VAL 887 N 3.45 0.51 -2.00 2.92 1.01 -1.26 -0.80 120.40 124.21 2vwx s VAL 887 Ca 0.54 -0.70 0.29 0.00 0.00 0.00 0.00 61.98 62.11 2vwx s VAL 887 Cb -0.21 -0.51 0.82 0.00 0.00 0.00 0.00 36.38 36.48 2vwx s VAL 887 CO 0.14 -0.15 2.06 0.00 0.00 0.00 0.00 175.10 177.16