#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vwy s GLU 609 N 0.00 4.41 -0.21 1.64 2.56 -1.26 -0.77 118.70 125.08 2vwy s GLU 609 Ca 0.00 1.80 -0.05 0.00 0.00 0.00 0.00 54.97 56.73 2vwy s GLU 609 Cb 0.00 -3.35 -0.02 0.00 2.00 0.00 0.00 34.13 32.77 2vwy s GLU 609 CO 0.00 -0.29 -0.01 0.42 -0.56 0.00 0.00 175.26 174.82 2vwy s ILE 610 N 1.12 3.73 0.06 -3.70 1.01 0.11 -4.89 121.20 118.65 2vwy s ILE 610 Ca 0.59 -0.38 -0.34 0.00 0.00 0.00 0.00 60.65 60.52 2vwy s ILE 610 Cb -0.30 -2.69 -0.13 0.00 0.01 0.00 0.00 42.46 39.35 2vwy s ILE 610 CO 0.29 0.42 1.71 -0.67 0.00 0.00 0.00 174.94 176.69 2vwy n ASP 611 N 4.51 3.30 0.27 3.58 4.64 -1.26 -4.60 116.55 126.99 2vwy n ASP 611 Ca -0.17 1.03 0.12 0.00 -1.38 0.00 0.00 54.79 54.38 2vwy n ASP 611 Cb 0.51 -1.41 0.75 0.00 -1.04 0.00 0.00 41.12 39.93 2vwy n ASP 611 CO 0.00 0.00 0.00 1.62 -0.82 0.00 0.00 177.20 178.00 2vwy h VAL 612 N 4.41 0.72 0.00 5.18 3.04 -1.96 -0.19 116.25 127.46 2vwy h VAL 612 Ca -0.46 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 64.98 2vwy h VAL 612 Cb 1.26 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 31.69 2vwy h VAL 612 CO 0.92 0.06 0.00 0.77 -1.01 0.00 0.00 177.57 178.31 2vwy h SER 613 N 0.00 0.00 0.94 3.17 4.64 -1.98 -1.91 113.55 118.41 2vwy h SER 613 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2vwy h SER 613 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2vwy h SER 613 CO 0.01 0.00 -0.09 -1.22 -0.87 0.00 0.00 176.83 174.65 2vwy n TYR 614 N -2.52 0.06 -4.66 4.77 4.01 -0.08 -4.87 117.16 113.88 2vwy n TYR 614 Ca -0.00 0.02 -0.33 0.00 -0.16 0.00 0.00 57.90 57.42 2vwy n TYR 614 Cb 0.14 -0.48 -0.13 0.00 -0.31 0.00 0.00 39.34 38.56 2vwy n TYR 614 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2vwy s VAL 615 N -3.01 3.44 -0.14 -0.72 1.01 -0.72 -0.53 120.40 119.73 2vwy s VAL 615 Ca 0.13 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.57 2vwy s VAL 615 Cb 0.18 -2.44 0.03 0.00 0.00 0.00 0.00 36.38 34.15 2vwy s VAL 615 CO 0.57 0.54 -0.10 -0.75 0.00 0.00 0.00 175.10 175.36 2vwy s LYS 616 N -0.10 1.91 -0.12 2.72 2.20 -0.10 -4.99 119.74 121.26 2vwy s LYS 616 Ca -0.00 -0.48 -0.22 0.00 -0.36 0.00 0.00 55.97 54.90 2vwy s LYS 616 Cb -0.13 -1.96 -0.03 0.00 -1.51 0.00 0.00 37.83 34.20 2vwy s LYS 616 CO 0.03 -0.29 0.67 0.42 -0.36 0.00 0.00 175.35 175.82 2vwy s ILE 617 N 1.57 5.04 -0.25 5.43 1.01 -1.26 -0.05 121.20 132.68 2vwy s ILE 617 Ca 0.04 1.35 -0.05 0.00 0.00 0.00 0.00 60.65 61.98 2vwy s ILE 617 Cb -0.13 -4.00 -0.14 0.00 0.01 0.00 0.00 42.46 38.20 2vwy s ILE 617 CO -0.09 0.20 -0.27 -0.62 0.00 0.00 0.00 174.94 174.15 2vwy n GLU 618 N 4.27 0.58 -3.58 2.79 1.02 0.13 -4.95 120.64 120.90 2vwy n GLU 618 Ca -0.01 0.19 -0.15 0.00 -0.02 0.00 0.00 57.16 57.16 2vwy n GLU 618 Cb 0.51 -1.46 -0.06 0.00 -0.02 0.00 0.00 31.44 30.40 2vwy n GLU 618 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2vwy s GLU 619 N -2.48 0.89 -0.18 3.49 2.12 -0.85 -5.00 118.70 116.69 2vwy s GLU 619 Ca -0.35 0.55 -0.25 0.00 0.36 0.00 0.00 54.97 55.28 2vwy s GLU 619 Cb 0.11 0.43 -0.01 0.00 0.26 0.00 0.00 34.13 34.91 2vwy s GLU 619 CO 0.51 -0.21 0.84 0.08 -0.54 0.00 0.00 175.26 175.94 2vwy s VAL 620 N -0.49 4.87 -0.18 3.70 1.01 -1.26 -0.21 120.40 127.84 2vwy s VAL 620 Ca -0.05 1.63 0.02 0.00 0.00 0.00 0.00 61.98 63.58 2vwy s VAL 620 Cb -0.02 -4.14 -0.00 0.00 0.00 0.00 0.00 36.38 32.21 2vwy s VAL 620 CO 0.05 0.00 0.30 2.30 0.00 0.00 0.00 175.10 177.75 2vwy n ILE 621 N 4.84 0.00 -3.81 2.22 -5.35 0.12 -4.94 119.36 112.44 2vwy n ILE 621 Ca 0.05 -0.47 -0.04 0.00 -0.27 0.00 0.00 62.75 62.02 2vwy n ILE 621 Cb 0.48 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.41 2vwy n ILE 621 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2vwy s GLY 622 N -0.76 -0.05 -0.05 3.28 0.00 -0.52 -4.99 107.32 104.24 2vwy s GLY 622 Ca 0.02 -0.12 0.04 0.00 0.00 0.00 0.00 44.72 44.66 2vwy s GLY 622 CO 0.06 1.00 -0.16 0.00 0.00 0.00 0.00 173.10 174.00 2vwy s ALA 623 N -2.73 1.49 0.40 3.20 0.00 -1.26 -1.11 121.76 121.74 2vwy s ALA 623 Ca 0.17 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.50 2vwy s ALA 623 Cb -0.02 -0.51 0.03 0.00 0.00 0.00 0.00 23.12 22.62 2vwy s ALA 623 CO 0.04 0.25 0.24 0.41 0.00 0.00 0.00 175.76 176.71 2vwy n GLY 624 N 3.22 3.00 0.37 0.00 0.00 0.21 -4.84 105.19 107.15 2vwy n GLY 624 Ca -0.19 -2.28 0.09 0.00 0.00 0.00 0.00 46.02 43.65 2vwy n GLY 624 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2vwy h GLU 625 N 0.00 0.84 -0.08 1.61 4.81 -1.99 -3.14 114.58 116.63 2vwy h GLU 625 Ca -0.27 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 2vwy h GLU 625 Cb 0.93 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.13 2vwy h GLU 625 CO 0.42 0.55 0.00 1.19 -0.73 0.00 0.00 179.01 180.45 2vwy n PHE 626 N -4.59 0.10 -2.79 0.92 3.72 -1.26 -5.09 117.46 108.48 2vwy n PHE 626 Ca 0.18 -0.22 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 2vwy n PHE 626 Cb 0.40 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 2vwy n PHE 626 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2vwy n GLY 627 N 0.18 -0.37 3.87 1.37 0.00 -1.19 -4.53 105.19 104.51 2vwy n GLY 627 Ca 0.04 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 2vwy n GLY 627 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vwy s GLU 628 N -2.00 3.68 -0.11 1.61 2.02 -1.25 0.68 118.70 123.33 2vwy s GLU 628 Ca 0.00 0.75 0.02 0.00 0.02 0.00 0.00 54.97 55.76 2vwy s GLU 628 Cb 0.00 -2.12 -0.01 0.00 0.10 0.00 0.00 34.13 32.10 2vwy s GLU 628 CO 0.00 -0.46 -0.19 0.08 0.02 0.00 0.00 175.26 174.71 2vwy s VAL 629 N -3.01 2.52 0.16 2.63 1.01 -0.27 -2.44 120.40 121.01 2vwy s VAL 629 Ca 0.55 -0.85 0.08 0.00 0.00 0.00 0.00 61.98 61.76 2vwy s VAL 629 Cb -0.11 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 2vwy s VAL 629 CO 0.48 0.54 -0.17 0.00 0.00 0.00 0.00 175.10 175.95 2vwy s ARG 631 N -2.87 3.85 0.07 0.00 3.52 0.71 -0.60 118.95 123.63 2vwy s ARG 631 Ca 0.15 0.33 -0.02 0.00 -0.13 0.00 0.00 55.73 56.07 2vwy s ARG 631 Cb -0.05 -3.20 0.01 0.00 -1.56 0.00 0.00 34.95 30.15 2vwy s ARG 631 CO 0.06 0.69 0.12 0.41 -0.81 0.00 0.00 175.30 175.77 2vwy n GLY 632 N 1.75 2.38 3.12 8.12 0.00 0.09 0.17 105.19 120.81 2vwy n GLY 632 Ca -0.14 -1.24 -0.23 0.00 0.00 0.00 0.00 46.02 44.41 2vwy n GLY 632 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vwy s ARG 633 N -2.08 1.20 -0.14 1.61 1.81 0.93 -1.15 118.95 121.14 2vwy s ARG 633 Ca 0.04 -0.52 0.00 0.00 -1.72 0.00 0.00 55.73 53.53 2vwy s ARG 633 Cb -0.01 -1.16 -0.01 0.00 -0.45 0.00 0.00 34.95 33.33 2vwy s ARG 633 CO 0.03 0.31 -0.15 -1.17 -0.68 0.00 0.00 175.30 173.64 2vwy s LEU 634 N -0.32 2.58 -0.19 2.53 2.96 -0.33 -0.93 118.68 124.99 2vwy s LEU 634 Ca 0.05 -0.40 -0.04 0.00 -0.22 0.00 0.00 54.13 53.52 2vwy s LEU 634 Cb -0.06 -1.58 0.06 0.00 0.50 0.00 0.00 46.19 45.11 2vwy s LEU 634 CO -0.00 0.13 0.06 -0.75 -1.32 0.00 0.00 176.35 174.47 2vwy s LYS 635 N 0.54 0.37 0.03 1.98 2.47 0.31 -1.38 119.74 124.06 2vwy s LYS 635 Ca -0.09 -0.27 0.03 0.00 -1.56 0.00 0.00 55.97 54.08 2vwy s LYS 635 Cb -0.16 -1.97 -0.04 0.00 -1.46 0.00 0.00 37.83 34.21 2vwy s LYS 635 CO 0.04 -0.66 -0.05 0.00 0.16 0.00 0.00 175.35 174.84 2vwy s ALA 636 N 1.99 3.11 0.09 3.13 0.00 -1.26 -4.50 121.76 124.31 2vwy s ALA 636 Ca 0.01 -1.04 -0.35 0.00 0.00 0.00 0.00 51.96 50.57 2vwy s ALA 636 Cb -0.17 -1.16 -0.15 0.00 0.00 0.00 0.00 23.12 21.65 2vwy s ALA 636 CO -0.09 0.64 1.51 -2.30 0.00 0.00 0.00 175.76 175.52 2vwy n PRO 637 N 1.29 1.69 0.00 0.00 -0.02 -1.26 -1.52 135.00 135.17 2vwy n PRO 637 Ca -0.14 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2vwy n PRO 637 Cb 0.52 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 2vwy n PRO 637 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vwy n GLY 638 N 3.17 1.89 3.41 -1.23 0.00 -1.26 -5.03 105.19 106.14 2vwy n GLY 638 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 2vwy n GLY 638 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vwy s LYS 639 N -0.65 1.47 0.66 1.61 3.01 -0.58 -5.12 119.74 120.14 2vwy s LYS 639 Ca 0.00 -1.40 -0.15 0.00 -1.01 0.00 0.00 55.97 53.41 2vwy s LYS 639 Cb 0.00 -1.90 0.00 0.00 -1.01 0.00 0.00 37.83 34.92 2vwy s LYS 639 CO 0.00 0.43 1.12 0.15 0.51 0.00 0.00 175.35 177.56 2vwy s LYS 640 N -2.29 2.75 0.42 1.68 3.01 -1.26 -4.35 119.74 119.70 2vwy s LYS 640 Ca 0.17 1.43 -0.26 0.00 -1.01 0.00 0.00 55.97 56.30 2vwy s LYS 640 Cb -0.09 -1.94 -0.09 0.00 -1.01 0.00 0.00 37.83 34.70 2vwy s LYS 640 CO 0.08 -1.30 1.33 -2.00 0.51 0.00 0.00 175.35 173.97 2vwy s GLU 641 N -4.05 3.90 0.10 1.68 2.12 -1.26 -4.70 118.70 116.49 2vwy s GLU 641 Ca 0.68 2.21 0.02 0.00 0.36 0.00 0.00 54.97 58.24 2vwy s GLU 641 Cb -0.21 -2.73 -0.04 0.00 0.26 0.00 0.00 34.13 31.41 2vwy s GLU 641 CO 0.41 -0.56 -0.07 -1.54 -0.54 0.00 0.00 175.26 172.96 2vwy s SER 642 N -0.70 1.22 0.16 -1.70 1.04 -0.48 -4.99 113.70 108.25 2vwy s SER 642 Ca 0.58 -0.97 -0.26 0.00 0.48 0.00 0.00 55.95 55.78 2vwy s SER 642 Cb -0.39 0.07 -0.08 0.00 0.10 0.00 0.00 66.02 65.73 2vwy s SER 642 CO 0.50 -0.42 0.79 0.00 0.98 0.00 0.00 173.24 175.09 2vwy s VAL 644 N -1.03 0.57 0.16 0.00 -7.23 -0.30 -3.65 120.40 108.92 2vwy s VAL 644 Ca 0.37 -1.13 -0.15 0.00 -1.81 0.00 0.00 61.98 59.25 2vwy s VAL 644 Cb -0.23 -0.68 -0.07 0.00 0.56 0.00 0.00 36.38 35.96 2vwy s VAL 644 CO 0.26 -0.40 0.58 0.00 -0.31 0.00 0.00 175.10 175.24 2vwy s ALA 645 N -1.49 3.55 -0.12 1.32 0.00 -0.53 -0.73 121.76 123.77 2vwy s ALA 645 Ca -0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 51.96 51.80 2vwy s ALA 645 Cb -0.09 -2.58 0.03 0.00 0.00 0.00 0.00 23.12 20.48 2vwy s ALA 645 CO 0.00 0.43 -0.06 0.42 0.00 0.00 0.00 175.76 176.56 2vwy s ILE 646 N -1.46 0.92 -0.15 0.00 1.01 0.23 -1.15 121.20 120.60 2vwy s ILE 646 Ca 0.38 -0.29 -0.14 0.00 0.00 0.00 0.00 60.65 60.60 2vwy s ILE 646 Cb -0.15 -1.01 -0.05 0.00 0.01 0.00 0.00 42.46 41.26 2vwy s ILE 646 CO 0.19 0.29 0.31 -0.54 0.00 0.00 0.00 174.94 175.20 2vwy s LYS 647 N 1.74 4.22 0.06 2.79 1.02 -0.18 -0.35 119.74 129.04 2vwy s LYS 647 Ca 0.04 0.14 0.07 0.00 0.02 0.00 0.00 55.97 56.24 2vwy s LYS 647 Cb -0.13 -3.41 -0.04 0.00 -0.52 0.00 0.00 37.83 33.74 2vwy s LYS 647 CO -0.08 0.28 -0.14 0.95 -0.92 0.00 0.00 175.35 175.44 2vwy s THR 648 N 0.34 3.07 -0.25 2.17 -4.23 -1.02 -0.89 115.64 114.83 2vwy s THR 648 Ca 0.18 -1.19 -0.00 0.00 -1.18 0.00 0.00 61.69 59.49 2vwy s THR 648 Cb -0.13 -2.36 0.07 0.00 1.34 0.00 0.00 72.50 71.42 2vwy s THR 648 CO 0.05 0.25 0.01 -0.22 -0.54 0.00 0.00 174.62 174.17 2vwy s LEU 649 N -1.73 2.42 0.00 4.79 2.96 0.03 -3.75 118.68 123.40 2vwy s LEU 649 Ca 0.17 -1.30 -0.01 0.00 -0.22 0.00 0.00 54.13 52.77 2vwy s LEU 649 Cb -0.11 -1.03 0.09 0.00 0.50 0.00 0.00 46.19 45.64 2vwy s LEU 649 CO 0.08 -0.30 0.62 0.29 -1.32 0.00 0.00 176.35 175.72 2vwy n LYS 650 N 4.75 0.12 -0.58 1.98 5.02 -1.26 -2.46 118.16 125.73 2vwy n LYS 650 Ca -0.08 -1.63 -0.30 0.00 -2.02 0.00 0.00 58.31 54.29 2vwy n LYS 650 Cb 0.44 -0.43 0.21 0.00 -0.02 0.00 0.00 35.03 35.23 2vwy n LYS 650 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2vwy n GLY 651 N 0.32 -1.21 0.85 0.72 0.00 -1.26 -4.41 105.19 100.21 2vwy n GLY 651 Ca 0.10 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.18 2vwy n GLY 651 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vwy n GLY 652 N 0.67 1.15 3.34 -0.02 0.00 -1.26 -5.10 105.19 103.97 2vwy n GLY 652 Ca 0.08 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 2vwy n GLY 652 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2vwy s TYR 653 N -2.00 2.09 0.66 1.61 1.13 -1.26 -5.15 117.35 114.44 2vwy s TYR 653 Ca 0.00 -0.40 -0.10 0.00 -1.41 0.00 0.00 57.07 55.16 2vwy s TYR 653 Cb 0.00 -1.16 0.00 0.00 -1.10 0.00 0.00 41.96 39.70 2vwy s TYR 653 CO 0.00 0.25 1.04 0.95 -2.51 0.00 0.00 175.55 175.27 2vwy s THR 654 N -1.03 3.79 0.31 -3.49 -4.23 -1.26 -4.91 115.64 104.82 2vwy s THR 654 Ca 0.11 0.46 0.03 0.00 -1.18 0.00 0.00 61.69 61.10 2vwy s THR 654 Cb -0.10 -3.56 0.13 0.00 1.34 0.00 0.00 72.50 70.31 2vwy s THR 654 CO 0.05 -0.70 1.82 -0.33 -0.54 0.00 0.00 174.62 174.91 2vwy h GLU 655 N -0.48 0.58 -0.84 3.99 4.39 -2.01 -1.31 114.58 118.91 2vwy h GLU 655 Ca -0.45 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.08 2vwy h GLU 655 Cb 1.24 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.78 2vwy h GLU 655 CO 0.63 0.63 0.41 -0.09 -1.16 0.00 0.00 179.01 179.43 2vwy h ARG 656 N 0.54 1.20 -0.47 2.33 9.65 -1.99 -0.99 114.38 124.66 2vwy h ARG 656 Ca 0.11 -0.17 -0.07 0.00 -1.10 0.00 0.00 59.98 58.75 2vwy h ARG 656 Cb 0.42 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.76 2vwy h ARG 656 CO 0.02 0.91 0.01 1.96 2.80 0.00 0.00 179.97 185.68 2vwy h GLN 657 N 1.19 0.81 -0.74 0.20 4.20 -1.80 0.01 115.11 118.99 2vwy h GLN 657 Ca 0.29 -0.25 0.05 0.00 0.06 0.00 0.00 58.65 58.79 2vwy h GLN 657 Cb 0.11 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.76 2vwy h GLN 657 CO -0.04 0.86 0.45 -0.09 -0.67 0.00 0.00 178.83 179.35 2vwy h ARG 658 N 0.67 0.83 -0.30 1.46 2.43 -0.98 0.32 114.38 118.81 2vwy h ARG 658 Ca 0.13 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.13 2vwy h ARG 658 Cb 0.49 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 2vwy h ARG 658 CO 0.02 0.55 -0.32 0.00 -1.51 0.00 0.00 179.97 178.71 2vwy h ARG 659 N 0.86 0.63 -0.42 0.20 3.08 -0.94 -1.02 114.38 116.77 2vwy h ARG 659 Ca 0.31 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 2vwy h ARG 659 Cb 0.10 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 2vwy h ARG 659 CO -0.14 0.87 -0.02 1.49 -1.07 0.00 0.00 179.97 181.09 2vwy h GLU 660 N 0.54 0.76 0.07 0.04 4.57 -0.37 -0.71 114.58 119.47 2vwy h GLU 660 Ca 0.06 -0.25 0.02 0.00 -1.18 0.00 0.00 59.36 58.01 2vwy h GLU 660 Cb 0.81 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.31 2vwy h GLU 660 CO 0.07 0.85 -0.22 0.35 -1.18 0.00 0.00 179.01 178.88 2vwy h PHE 661 N 0.59 -0.58 0.00 0.92 3.57 -0.15 -2.91 116.94 118.38 2vwy h PHE 661 Ca 0.12 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 2vwy h PHE 661 Cb 0.52 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 2vwy h PHE 661 CO 0.04 -0.31 -0.21 -0.07 -2.23 0.00 0.00 178.31 175.53 2vwy h LEU 662 N -0.38 0.00 -1.60 0.59 3.38 -1.07 -3.02 115.31 113.20 2vwy h LEU 662 Ca 0.04 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.14 2vwy h LEU 662 Cb 0.43 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 2vwy h LEU 662 CO -0.15 0.21 0.47 0.77 0.09 0.00 0.00 178.44 179.83 2vwy h SER 663 N 0.00 0.38 -0.96 -0.43 4.64 -0.92 0.54 113.55 116.81 2vwy h SER 663 Ca -0.00 0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.34 2vwy h SER 663 Cb 0.76 -0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 62.75 2vwy h SER 663 CO 0.03 0.21 0.63 -0.08 -0.87 0.00 0.00 176.83 176.74 2vwy h GLU 664 N 0.41 1.27 -0.03 4.77 4.81 -1.63 -1.22 114.58 122.96 2vwy h GLU 664 Ca 0.34 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2vwy h GLU 664 Cb 0.75 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 2vwy h GLU 664 CO -0.10 0.85 0.01 0.00 -0.73 0.00 0.00 179.01 179.04 2vwy h ALA 665 N 1.35 0.04 -0.20 2.92 0.00 -1.08 -1.02 119.26 121.26 2vwy h ALA 665 Ca 0.35 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.25 2vwy h ALA 665 Cb -0.14 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 2vwy h ALA 665 CO -0.07 -0.40 -0.22 0.77 0.00 0.00 0.00 179.25 179.32 2vwy h SER 666 N -0.07 -0.71 0.69 0.00 0.02 -1.03 0.34 113.55 112.78 2vwy h SER 666 Ca 0.01 0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 2vwy h SER 666 Cb 0.12 0.33 0.01 0.00 0.14 0.00 0.00 62.40 63.00 2vwy h SER 666 CO -0.00 -0.27 -0.33 0.40 -1.14 0.00 0.00 176.83 175.49 2vwy h ILE 667 N -0.25 0.31 -1.00 3.27 2.04 -1.25 -2.50 117.51 118.14 2vwy h ILE 667 Ca 0.12 -0.04 0.23 0.00 1.00 0.00 0.00 64.86 66.17 2vwy h ILE 667 Cb 0.44 0.32 -0.10 0.00 -0.74 0.00 0.00 36.82 36.74 2vwy h ILE 667 CO -0.35 0.01 0.62 0.24 0.00 0.00 0.00 178.15 178.67 2vwy h MET 668 N -0.96 0.56 0.00 2.37 2.86 -1.05 0.38 114.93 119.11 2vwy h MET 668 Ca -0.09 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2vwy h MET 668 Cb 0.72 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.25 2vwy h MET 668 CO 0.16 0.37 0.00 0.41 1.06 0.00 0.00 176.91 178.91 2vwy n GLY 669 N -1.39 -1.07 0.03 8.32 0.00 0.10 -1.57 105.19 109.60 2vwy n GLY 669 Ca 0.24 0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.49 2vwy n GLY 669 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2vwy n GLN 670 N -2.11 0.08 -4.31 1.61 6.02 0.13 -4.90 117.38 113.91 2vwy n GLN 670 Ca 0.01 0.05 -0.28 0.00 -0.01 0.00 0.00 57.00 56.77 2vwy n GLN 670 Cb 0.15 -1.58 -0.10 0.00 1.02 0.00 0.00 30.24 29.73 2vwy n GLN 670 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2vwy s PHE 671 N -3.04 2.56 -0.24 1.08 2.99 -0.61 -5.11 117.98 115.62 2vwy s PHE 671 Ca 0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 56.93 56.78 2vwy s PHE 671 Cb 0.17 -1.29 0.12 0.00 0.00 0.00 0.00 43.02 42.02 2vwy s PHE 671 CO 0.60 0.47 0.31 -2.00 -0.00 0.00 0.00 175.22 174.60 2vwy s GLU 672 N -2.58 0.30 -0.28 0.44 2.12 -1.26 -4.85 118.70 112.58 2vwy s GLU 672 Ca 0.22 0.30 -0.25 0.00 0.36 0.00 0.00 54.97 55.60 2vwy s GLU 672 Cb -0.09 -0.74 0.11 0.00 0.26 0.00 0.00 34.13 33.66 2vwy s GLU 672 CO 0.13 -0.72 0.94 -1.58 -0.54 0.00 0.00 175.26 173.49 2vwy s HIS 673 N 2.45 -0.56 -0.72 5.30 2.46 -1.26 -5.05 115.29 117.91 2vwy s HIS 673 Ca 0.10 1.37 0.15 0.00 0.47 0.00 0.00 55.06 57.15 2vwy s HIS 673 Cb -0.15 0.34 0.67 0.00 -0.13 0.00 0.00 32.58 33.30 2vwy s HIS 673 CO -0.18 -0.27 1.45 -0.35 -2.47 0.00 0.00 174.74 172.92 2vwy n PRO 674 N 2.34 0.08 -0.61 2.88 -0.04 -1.26 -1.74 135.00 136.64 2vwy n PRO 674 Ca -0.13 0.43 0.02 0.00 -0.04 0.00 0.00 63.50 63.77 2vwy n PRO 674 Cb 0.56 -1.68 0.21 0.00 -0.04 0.00 0.00 33.50 32.55 2vwy n PRO 674 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2vwy n ASN 675 N -1.83 2.83 -4.04 3.54 4.13 -1.26 -4.85 115.26 113.78 2vwy n ASN 675 Ca 0.01 -3.49 -0.24 0.00 1.68 0.00 0.00 54.58 52.55 2vwy n ASN 675 Cb 0.12 -0.58 -0.16 0.00 -1.54 0.00 0.00 39.78 37.62 2vwy n ASN 675 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2vwy s ILE 676 N -3.09 1.10 0.15 2.41 -1.09 -0.71 -0.90 121.20 119.07 2vwy s ILE 676 Ca 0.42 -0.49 -0.34 0.00 -2.23 0.00 0.00 60.65 58.01 2vwy s ILE 676 Cb 0.37 -0.99 -0.14 0.00 -1.58 0.00 0.00 42.46 40.13 2vwy s ILE 676 CO 0.02 0.34 1.58 0.00 -1.23 0.00 0.00 174.94 175.65 2vwy n ILE 677 N 3.55 0.02 -3.16 2.92 3.06 -0.69 -4.62 119.36 120.45 2vwy n ILE 677 Ca -0.21 -0.00 -0.39 0.00 -2.50 0.00 0.00 62.75 59.65 2vwy n ILE 677 Cb 0.52 -1.52 -0.05 0.00 0.54 0.00 0.00 39.64 39.13 2vwy n ILE 677 CO 0.00 0.00 0.00 -0.60 -2.50 0.00 0.00 176.55 173.45 2vwy s ARG 678 N 1.02 4.40 -0.01 9.51 3.52 -1.26 -4.97 118.95 131.15 2vwy s ARG 678 Ca 0.80 0.71 -0.29 0.00 -0.13 0.00 0.00 55.73 56.81 2vwy s ARG 678 Cb -0.69 -3.44 -0.03 0.00 -1.56 0.00 0.00 34.95 29.23 2vwy s ARG 678 CO 0.39 0.11 0.94 -1.17 -0.81 0.00 0.00 175.30 174.75 2vwy s LEU 679 N 0.70 4.36 -0.14 -0.88 2.96 -1.26 -1.44 118.68 122.98 2vwy s LEU 679 Ca 0.33 1.58 -0.02 0.00 -0.22 0.00 0.00 54.13 55.80 2vwy s LEU 679 Cb -0.17 -3.49 -0.24 0.00 0.50 0.00 0.00 46.19 42.79 2vwy s LEU 679 CO 0.15 -0.24 0.27 -0.62 -1.32 0.00 0.00 176.35 174.60 2vwy n GLU 680 N 3.89 0.72 -3.71 1.98 -0.58 0.17 -4.91 120.64 118.20 2vwy n GLU 680 Ca 0.05 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 57.02 2vwy n GLU 680 Cb 0.51 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 2vwy n GLU 680 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2vwy n GLY 681 N 1.99 -1.59 3.16 0.62 0.00 -0.97 -4.78 105.19 103.62 2vwy n GLY 681 Ca -0.33 -1.14 -0.14 0.00 0.00 0.00 0.00 46.02 44.42 2vwy n GLY 681 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2vwy s VAL 682 N -2.77 0.85 -0.25 1.61 -7.23 0.05 -0.77 120.40 111.89 2vwy s VAL 682 Ca 0.00 -1.57 -0.01 0.00 -1.81 0.00 0.00 61.98 58.60 2vwy s VAL 682 Cb 0.00 -1.26 0.03 0.00 0.56 0.00 0.00 36.38 35.71 2vwy s VAL 682 CO 0.00 -0.55 -0.07 -0.69 -0.31 0.00 0.00 175.10 173.48 2vwy s VAL 683 N -2.36 2.73 0.00 1.32 1.01 0.05 0.03 120.40 123.19 2vwy s VAL 683 Ca 0.03 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.85 2vwy s VAL 683 Cb -0.03 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.92 2vwy s VAL 683 CO -0.00 0.15 0.00 0.35 0.00 0.00 0.00 175.10 175.59 2vwy n THR 684 N 4.62 0.00 0.43 3.92 -2.24 -1.26 -1.08 114.28 118.67 2vwy n THR 684 Ca -0.16 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.67 2vwy n THR 684 Cb 0.46 0.24 0.18 0.00 -2.10 0.00 0.00 70.33 69.11 2vwy n THR 684 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2vwy n ASN 685 N -1.28 2.70 -3.10 3.42 5.03 -1.26 -4.89 115.26 115.88 2vwy n ASN 685 Ca 0.00 -2.24 -0.11 0.00 0.87 0.00 0.00 54.58 53.10 2vwy n ASN 685 Cb 0.06 -0.43 -0.00 0.00 -1.02 0.00 0.00 39.78 38.39 2vwy n ASN 685 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2vwy s SER 686 N -0.68 0.27 -0.05 6.41 1.04 -1.26 -5.14 113.70 114.29 2vwy s SER 686 Ca 0.26 -1.22 0.06 0.00 0.48 0.00 0.00 55.95 55.53 2vwy s SER 686 Cb 0.17 0.78 -0.02 0.00 0.10 0.00 0.00 66.02 67.05 2vwy s SER 686 CO 0.12 -1.54 -0.22 -0.04 0.98 0.00 0.00 173.24 172.54 2vwy s MET 687 N -2.67 2.52 0.58 4.02 -1.94 -1.26 -3.57 119.30 116.98 2vwy s MET 687 Ca 0.20 -0.85 -0.17 0.00 -1.71 0.00 0.00 55.69 53.16 2vwy s MET 687 Cb -0.04 -2.22 -0.04 0.00 2.01 0.00 0.00 34.83 34.55 2vwy s MET 687 CO 0.14 0.45 1.07 -1.25 -0.01 0.00 0.00 175.02 175.42 2vwy s PRO 688 N -0.32 3.29 0.26 2.03 0.04 -1.26 -5.13 135.00 133.91 2vwy s PRO 688 Ca 0.01 1.32 -0.30 0.00 0.04 0.00 0.00 61.00 62.07 2vwy s PRO 688 Cb -0.13 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 2vwy s PRO 688 CO 0.02 -0.85 1.34 0.08 0.04 0.00 0.00 177.00 177.63 2vwy s VAL 689 N -2.27 2.90 0.02 -0.36 1.01 -1.03 -4.86 120.40 115.81 2vwy s VAL 689 Ca 0.66 0.80 0.02 0.00 0.00 0.00 0.00 61.98 63.46 2vwy s VAL 689 Cb -0.18 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 2vwy s VAL 689 CO 0.34 0.15 -0.07 -0.04 0.00 0.00 0.00 175.10 175.48 2vwy s MET 690 N -0.75 0.48 -0.16 2.72 -1.94 -0.24 -0.79 119.30 118.62 2vwy s MET 690 Ca 0.55 -0.49 -0.02 0.00 -1.71 0.00 0.00 55.69 54.02 2vwy s MET 690 Cb -0.39 -0.35 -0.02 0.00 2.01 0.00 0.00 34.83 36.09 2vwy s MET 690 CO 0.44 0.08 -0.09 0.42 -0.01 0.00 0.00 175.02 175.86 2vwy s ILE 691 N -0.80 3.28 -0.12 2.53 1.01 -0.07 -0.77 121.20 126.26 2vwy s ILE 691 Ca -0.04 -0.57 -0.00 0.00 0.00 0.00 0.00 60.65 60.04 2vwy s ILE 691 Cb -0.06 -2.42 -0.02 0.00 0.01 0.00 0.00 42.46 39.97 2vwy s ILE 691 CO 0.00 0.50 -0.12 -0.76 0.00 0.00 0.00 174.94 174.56 2vwy s LEU 692 N 0.60 2.82 0.34 2.97 1.02 0.05 -1.01 118.68 125.47 2vwy s LEU 692 Ca -0.06 -0.27 0.03 0.00 0.02 0.00 0.00 54.13 53.86 2vwy s LEU 692 Cb -0.15 -1.63 -0.05 0.00 0.02 0.00 0.00 46.19 44.37 2vwy s LEU 692 CO 0.03 0.19 0.08 0.42 0.02 0.00 0.00 176.35 177.09 2vwy s THR 693 N 0.19 0.93 0.78 5.49 -4.23 -0.30 -0.66 115.64 117.85 2vwy s THR 693 Ca -0.07 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.29 2vwy s THR 693 Cb -0.15 -2.64 -0.01 0.00 1.34 0.00 0.00 72.50 71.04 2vwy s THR 693 CO 0.05 0.00 0.56 -1.84 -0.54 0.00 0.00 174.62 172.85 2vwy n GLU 694 N -0.73 0.17 -3.97 3.99 0.28 -0.52 -1.45 120.64 118.41 2vwy n GLU 694 Ca -0.03 0.10 -0.35 0.00 -0.16 0.00 0.00 57.16 56.72 2vwy n GLU 694 Cb 0.66 -1.89 -0.09 0.00 1.43 0.00 0.00 31.44 31.55 2vwy n GLU 694 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 2vwy s PHE 695 N -2.03 3.31 -0.39 -1.84 5.36 -1.24 -3.78 117.98 117.36 2vwy s PHE 695 Ca 0.64 0.17 -0.05 0.00 -0.96 0.00 0.00 56.93 56.73 2vwy s PHE 695 Cb -0.31 -2.06 0.09 0.00 -0.34 0.00 0.00 43.02 40.40 2vwy s PHE 695 CO 0.59 0.26 0.19 -1.64 -1.46 0.00 0.00 175.22 173.16 2vwy s MET 696 N 0.15 2.27 0.37 10.12 -1.94 -1.26 -4.95 119.30 124.06 2vwy s MET 696 Ca 0.06 -1.62 0.05 0.00 -1.71 0.00 0.00 55.69 52.48 2vwy s MET 696 Cb -0.12 -3.58 0.75 0.00 2.01 0.00 0.00 34.83 33.89 2vwy s MET 696 CO 0.00 -0.96 2.00 1.49 -0.01 0.00 0.00 175.02 177.54 2vwy h GLU 697 N 8.16 0.71 -0.40 2.03 4.81 -1.85 -2.47 114.58 125.57 2vwy h GLU 697 Ca -0.18 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 2vwy h GLU 697 Cb 1.06 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.28 2vwy h GLU 697 CO 0.69 0.47 0.00 0.09 -0.73 0.00 0.00 179.01 179.53 2vwy n ASN 698 N -4.46 2.61 0.00 1.04 3.02 -0.12 -4.98 115.26 112.37 2vwy n ASN 698 Ca 0.08 -1.92 0.00 0.00 -0.03 0.00 0.00 54.58 52.70 2vwy n ASN 698 Cb 0.14 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 2vwy n ASN 698 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vwy n GLY 699 N 1.31 1.54 3.76 7.41 0.00 -0.93 -4.63 105.19 113.64 2vwy n GLY 699 Ca 0.17 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 2vwy n GLY 699 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vwy s ALA 700 N -1.97 3.39 0.21 4.61 0.00 -1.26 -1.33 121.76 125.41 2vwy s ALA 700 Ca 0.00 0.85 -0.05 0.00 0.00 0.00 0.00 51.96 52.75 2vwy s ALA 700 Cb 0.00 -3.31 0.18 0.00 0.00 0.00 0.00 23.12 20.00 2vwy s ALA 700 CO 0.00 -0.10 1.65 1.25 0.00 0.00 0.00 175.76 178.56 2vwy h LEU 701 N 3.83 0.85 -0.25 0.00 5.85 -1.01 -1.01 115.31 123.56 2vwy h LEU 701 Ca -0.46 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 57.96 2vwy h LEU 701 Cb 1.21 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 2vwy h LEU 701 CO 0.67 0.99 0.09 -2.24 -0.34 0.00 0.00 178.44 177.61 2vwy h ASP 702 N 0.76 0.36 -0.25 1.25 2.03 -1.84 0.14 116.42 118.87 2vwy h ASP 702 Ca 0.12 -0.18 -0.18 0.00 -0.73 0.00 0.00 57.03 56.06 2vwy h ASP 702 Cb 0.65 -0.09 -0.00 0.00 -0.83 0.00 0.00 39.33 39.06 2vwy h ASP 702 CO 0.05 0.44 -0.55 0.77 -1.03 0.00 0.00 179.24 178.92 2vwy h SER 703 N 0.25 0.94 -0.65 4.15 4.64 -1.88 -1.80 113.55 119.20 2vwy h SER 703 Ca 0.08 -0.50 0.07 0.00 -0.47 0.00 0.00 61.79 60.97 2vwy h SER 703 Cb 0.20 -0.27 -0.06 0.00 -0.31 0.00 0.00 62.40 61.97 2vwy h SER 703 CO -0.01 1.29 0.34 0.15 -0.87 0.00 0.00 176.83 177.74 2vwy h PHE 704 N 0.64 0.62 -0.40 4.77 3.57 -1.05 -0.67 116.94 124.42 2vwy h PHE 704 Ca 0.01 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.38 2vwy h PHE 704 Cb 1.15 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 2vwy h PHE 704 CO 0.07 0.28 -0.36 -0.07 -2.23 0.00 0.00 178.31 176.00 2vwy h LEU 705 N 0.62 0.99 -0.44 0.59 3.38 -0.82 -2.00 115.31 117.64 2vwy h LEU 705 Ca 0.30 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2vwy h LEU 705 Cb 0.23 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2vwy h LEU 705 CO -0.20 1.24 0.29 0.03 0.09 0.00 0.00 178.44 179.88 2vwy h ARG 706 N 0.77 0.59 -0.53 1.13 3.08 -0.97 -0.73 114.38 117.72 2vwy h ARG 706 Ca 0.07 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.14 2vwy h ARG 706 Cb 0.95 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.84 2vwy h ARG 706 CO 0.09 0.40 0.35 1.25 -1.07 0.00 0.00 179.97 180.99 2vwy h LEU 707 N 0.60 0.41 -3.75 3.04 5.85 -0.98 -2.90 115.31 117.58 2vwy h LEU 707 Ca 0.16 0.00 -0.51 0.00 0.84 0.00 0.00 57.88 58.38 2vwy h LEU 707 Cb -0.06 -0.09 -0.31 0.00 0.37 0.00 0.00 40.66 40.58 2vwy h LEU 707 CO -0.03 0.27 -0.07 0.59 -0.34 0.00 0.00 178.44 178.85 2vwy n ASN 708 N -4.47 5.21 -4.68 1.25 3.02 -0.56 -5.05 115.26 109.97 2vwy n ASN 708 Ca 0.07 -3.77 -0.46 0.00 -0.03 0.00 0.00 54.58 50.39 2vwy n ASN 708 Cb 0.25 -0.63 -0.04 0.00 -0.61 0.00 0.00 39.78 38.75 2vwy n ASN 708 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2vwy n ASP 709 N -0.89 3.39 0.00 6.41 2.03 -0.39 -1.36 116.55 125.75 2vwy n ASP 709 Ca 0.48 1.02 0.00 0.00 0.52 0.00 0.00 54.79 56.81 2vwy n ASP 709 Cb 0.91 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.89 2vwy n ASP 709 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2vwy n GLY 710 N 3.96 0.24 0.26 0.27 0.00 -1.26 -4.89 105.19 103.78 2vwy n GLY 710 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 2vwy n GLY 710 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2vwy n GLN 711 N -0.94 1.76 -4.47 1.61 6.02 -0.46 -4.88 117.38 116.01 2vwy n GLN 711 Ca 0.00 -0.57 -0.32 0.00 -0.01 0.00 0.00 57.00 56.10 2vwy n GLN 711 Cb 0.26 -1.26 -0.11 0.00 1.02 0.00 0.00 30.24 30.15 2vwy n GLN 711 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2vwy s PHE 712 N -2.06 2.87 0.81 1.08 2.99 -1.26 -5.13 117.98 117.28 2vwy s PHE 712 Ca 0.11 -0.05 -0.11 0.00 0.00 0.00 0.00 56.93 56.88 2vwy s PHE 712 Cb 0.13 -1.60 0.08 0.00 0.00 0.00 0.00 43.02 41.62 2vwy s PHE 712 CO 0.47 0.36 1.09 0.95 -0.00 0.00 0.00 175.22 178.09 2vwy s THR 713 N -0.99 3.09 0.22 0.64 -4.23 -1.26 -4.85 115.64 108.27 2vwy s THR 713 Ca 0.17 0.36 -0.07 0.00 -1.18 0.00 0.00 61.69 60.96 2vwy s THR 713 Cb -0.11 -2.98 0.17 0.00 1.34 0.00 0.00 72.50 70.91 2vwy s THR 713 CO 0.07 -0.46 1.78 0.58 -0.54 0.00 0.00 174.62 176.05 2vwy h VAL 714 N -1.19 0.86 -0.76 2.29 2.07 -1.98 -0.78 116.25 116.76 2vwy h VAL 714 Ca -0.47 -0.20 -0.06 0.00 0.82 0.00 0.00 66.70 66.79 2vwy h VAL 714 Cb 1.26 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2vwy h VAL 714 CO 0.56 0.11 0.25 0.40 0.02 0.00 0.00 177.57 178.91 2vwy h ILE 715 N 0.59 1.26 -0.38 4.57 1.08 -1.99 0.21 117.51 122.86 2vwy h ILE 715 Ca 0.34 -0.90 0.01 0.00 -0.39 0.00 0.00 64.86 63.92 2vwy h ILE 715 Cb 0.34 0.41 -0.02 0.00 -3.07 0.00 0.00 36.82 34.48 2vwy h ILE 715 CO -0.26 0.36 0.23 1.56 -0.69 0.00 0.00 178.15 179.35 2vwy h GLN 716 N 1.12 0.45 -0.66 2.37 4.20 -1.75 -0.67 115.11 120.18 2vwy h GLN 716 Ca 0.25 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.87 2vwy h GLN 716 Cb 0.29 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 2vwy h GLN 716 CO -0.01 0.30 0.19 -0.07 -0.67 0.00 0.00 178.83 178.57 2vwy h LEU 717 N 0.46 0.96 -0.82 1.46 3.38 -0.28 -1.16 115.31 119.32 2vwy h LEU 717 Ca 0.15 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 2vwy h LEU 717 Cb -0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2vwy h LEU 717 CO -0.06 0.91 -0.18 0.58 0.09 0.00 0.00 178.44 179.78 2vwy h VAL 718 N 0.99 1.26 -0.67 1.22 2.07 -0.41 -0.81 116.25 119.90 2vwy h VAL 718 Ca 0.21 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 2vwy h VAL 718 Cb 0.30 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2vwy h VAL 718 CO -0.01 0.41 0.33 1.23 0.02 0.00 0.00 177.57 179.56 2vwy h GLY 719 N 0.98 1.03 0.85 2.17 0.00 -0.53 0.92 103.07 108.48 2vwy h GLY 719 Ca 0.10 -0.50 0.01 0.00 0.00 0.00 0.00 47.33 46.93 2vwy h GLY 719 CO 0.05 0.48 -0.10 -0.33 0.00 0.00 0.00 176.54 176.64 2vwy h MET 720 N 0.93 -0.20 -0.75 4.80 2.07 -0.95 -1.57 114.93 119.26 2vwy h MET 720 Ca 0.23 0.01 0.07 0.00 -2.07 0.00 0.00 59.70 57.94 2vwy h MET 720 Cb 0.10 0.04 -0.05 0.00 -1.87 0.00 0.00 31.60 29.83 2vwy h MET 720 CO -0.03 -0.13 0.49 -0.07 1.07 0.00 0.00 176.91 178.24 2vwy h LEU 721 N -0.20 0.68 -0.30 1.22 3.38 -0.82 -1.94 115.31 117.33 2vwy h LEU 721 Ca 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2vwy h LEU 721 Cb 0.21 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2vwy h LEU 721 CO -0.04 0.44 0.04 -0.09 0.09 0.00 0.00 178.44 178.88 2vwy h ARG 722 N 0.78 0.50 -0.53 1.13 1.12 -0.52 -0.30 114.38 116.55 2vwy h ARG 722 Ca 0.32 -0.14 0.05 0.00 -1.11 0.00 0.00 59.98 59.11 2vwy h ARG 722 Cb 0.27 -0.06 -0.05 0.00 -0.01 0.00 0.00 29.97 30.13 2vwy h ARG 722 CO -0.11 0.61 0.26 0.78 -3.11 0.00 0.00 179.97 178.40 2vwy h GLY 723 N 0.32 0.75 0.99 2.80 0.00 -0.91 0.13 103.07 107.15 2vwy h GLY 723 Ca 0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 2vwy h GLY 723 CO 0.01 0.10 0.28 -2.22 0.00 0.00 0.00 176.54 174.71 2vwy h ILE 724 N 0.51 1.15 -0.10 2.60 2.04 -1.25 -1.27 117.51 121.20 2vwy h ILE 724 Ca 0.24 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 2vwy h ILE 724 Cb 0.17 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2vwy h ILE 724 CO -0.18 0.16 -0.19 0.00 0.00 0.00 0.00 178.15 177.94 2vwy h ALA 725 N 1.13 1.50 -0.14 1.87 0.00 -0.47 -0.74 119.26 122.40 2vwy h ALA 725 Ca 0.17 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.64 2vwy h ALA 725 Cb 0.01 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.74 2vwy h ALA 725 CO -0.03 0.36 -0.76 1.03 0.00 0.00 0.00 179.25 179.85 2vwy h SER 726 N 0.15 0.91 -0.27 0.00 0.87 -0.37 0.34 113.55 115.18 2vwy h SER 726 Ca 0.03 -0.64 0.04 0.00 -1.23 0.00 0.00 61.79 59.99 2vwy h SER 726 Cb 0.43 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 62.08 2vwy h SER 726 CO 0.03 1.40 0.04 1.23 -0.53 0.00 0.00 176.83 179.00 2vwy h GLY 727 N 0.49 0.29 0.99 5.77 0.00 -0.73 -1.67 103.07 108.22 2vwy h GLY 727 Ca -0.05 -0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 2vwy h GLY 727 CO 0.16 -0.02 0.12 -0.33 0.00 0.00 0.00 176.54 176.46 2vwy h MET 728 N 0.13 0.84 -0.66 4.80 2.86 -1.00 -1.03 114.93 120.88 2vwy h MET 728 Ca 0.13 -0.21 0.13 0.00 -2.06 0.00 0.00 59.70 57.69 2vwy h MET 728 Cb 0.14 -0.11 -0.13 0.00 0.06 0.00 0.00 31.60 31.57 2vwy h MET 728 CO -0.18 0.81 -0.20 -0.09 1.06 0.00 0.00 176.91 178.30 2vwy h ARG 729 N 0.73 -0.04 -0.16 1.72 2.43 -0.75 0.13 114.38 118.44 2vwy h ARG 729 Ca 0.16 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.34 2vwy h ARG 729 Cb 0.35 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 2vwy h ARG 729 CO 0.00 -0.02 0.09 -0.92 -1.51 0.00 0.00 179.97 177.61 2vwy h TYR 730 N -0.04 0.17 -0.66 2.20 3.20 -0.97 -1.38 116.97 119.50 2vwy h TYR 730 Ca 0.31 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.18 2vwy h TYR 730 Cb 0.51 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.69 2vwy h TYR 730 CO -0.57 0.10 0.40 -0.07 -1.64 0.00 0.00 178.16 176.39 2vwy h LEU 731 N 0.19 0.78 -0.69 2.82 3.38 -0.48 -1.63 115.31 119.69 2vwy h LEU 731 Ca 0.06 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2vwy h LEU 731 Cb -0.00 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2vwy h LEU 731 CO -0.03 0.61 0.19 0.00 0.09 0.00 0.00 178.44 179.30 2vwy h ALA 732 N 1.21 0.91 -0.57 1.53 0.00 -0.69 0.86 119.26 122.51 2vwy h ALA 732 Ca 0.24 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2vwy h ALA 732 Cb -0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 2vwy h ALA 732 CO -0.05 0.61 0.36 1.49 0.00 0.00 0.00 179.25 181.66 2vwy h GLU 733 N 1.02 0.75 -0.12 0.00 4.57 -0.86 -0.73 114.58 119.21 2vwy h GLU 733 Ca 0.22 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 2vwy h GLU 733 Cb 0.34 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 2vwy h GLU 733 CO -0.00 0.51 0.00 -1.33 -1.18 0.00 0.00 179.01 177.01 2vwy n MET 734 N -4.44 1.34 -2.90 1.92 2.81 -0.65 -4.90 117.12 110.30 2vwy n MET 734 Ca 0.05 -0.51 -0.22 0.00 -1.81 0.00 0.00 57.70 55.21 2vwy n MET 734 Cb 0.06 -1.22 0.02 0.00 -0.71 0.00 0.00 33.22 31.37 2vwy n MET 734 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2vwy n SER 735 N -0.17 -5.75 -4.49 7.83 7.64 -0.28 -4.97 113.62 113.42 2vwy n SER 735 Ca 0.10 -0.22 -0.37 0.00 1.01 0.00 0.00 58.87 59.39 2vwy n SER 735 Cb 0.15 -4.69 -0.12 0.00 -1.01 0.00 0.00 64.21 58.54 2vwy n SER 735 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2vwy s TYR 736 N -3.10 3.12 -0.25 1.43 5.04 0.21 -5.01 117.35 118.79 2vwy s TYR 736 Ca 0.24 -0.27 -0.14 0.00 -2.44 0.00 0.00 57.07 54.46 2vwy s TYR 736 Cb -0.11 -2.26 -0.04 0.00 0.35 0.00 0.00 41.96 39.90 2vwy s TYR 736 CO 0.29 -0.28 0.32 0.08 -1.34 0.00 0.00 175.55 174.62 2vwy s VAL 737 N 1.56 5.23 -0.03 3.14 1.01 -1.26 -3.85 120.40 126.20 2vwy s VAL 737 Ca 0.06 0.48 -0.25 0.00 0.00 0.00 0.00 61.98 62.27 2vwy s VAL 737 Cb -0.15 -3.65 -0.20 0.00 0.00 0.00 0.00 36.38 32.38 2vwy s VAL 737 CO 0.05 0.22 1.19 -0.74 0.00 0.00 0.00 175.10 175.83 2vwy h HIS 738 N 7.91 -0.05 0.00 5.22 2.76 -1.96 -3.48 115.15 125.55 2vwy h HIS 738 Ca -0.34 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.83 2vwy h HIS 738 Cb 1.17 0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.14 2vwy h HIS 738 CO 0.73 0.45 0.00 0.54 -1.30 0.00 0.00 177.93 178.35 2vwy n ARG 739 N -4.87 0.00 -2.72 5.26 1.74 -1.26 -4.73 116.66 110.08 2vwy n ARG 739 Ca -0.09 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.95 2vwy n ARG 739 Cb 0.26 -1.40 0.04 0.00 -1.02 0.00 0.00 32.46 30.34 2vwy n ARG 739 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2vwy n ASP 740 N 0.00 1.89 -4.64 0.55 2.03 -1.26 -4.79 116.55 110.33 2vwy n ASP 740 Ca 0.00 -2.37 -0.43 0.00 0.52 0.00 0.00 54.79 52.51 2vwy n ASP 740 Cb 0.00 -0.48 -0.02 0.00 -0.72 0.00 0.00 41.12 39.90 2vwy n ASP 740 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2vwy s LEU 741 N -3.62 3.95 0.01 -2.67 2.96 -1.26 -4.80 118.68 113.25 2vwy s LEU 741 Ca 0.29 1.35 -0.28 0.00 -0.22 0.00 0.00 54.13 55.28 2vwy s LEU 741 Cb 0.36 -3.54 0.08 0.00 0.50 0.00 0.00 46.19 43.59 2vwy s LEU 741 CO -0.02 -1.02 0.69 0.00 -1.32 0.00 0.00 176.35 174.68 2vwy s ALA 742 N 4.24 -1.73 0.43 5.97 0.00 -1.26 -4.69 121.76 124.73 2vwy s ALA 742 Ca 0.57 1.06 0.12 0.00 0.00 0.00 0.00 51.96 53.71 2vwy s ALA 742 Cb -0.19 0.25 0.99 0.00 0.00 0.00 0.00 23.12 24.18 2vwy s ALA 742 CO 0.22 -0.51 2.02 0.00 0.00 0.00 0.00 175.76 177.49 2vwy h ALA 743 N 2.59 1.91 0.00 0.00 0.00 -1.92 0.19 119.26 122.02 2vwy h ALA 743 Ca -0.28 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2vwy h ALA 743 Cb 1.20 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2vwy h ALA 743 CO 0.38 0.01 -0.02 0.07 0.00 0.00 0.00 179.25 179.69 2vwy h ARG 744 N 0.42 0.00 -0.68 0.00 0.11 -1.95 -1.98 114.38 110.31 2vwy h ARG 744 Ca 0.21 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.29 2vwy h ARG 744 Cb 0.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.37 2vwy h ARG 744 CO -0.05 0.02 0.00 0.09 0.10 0.00 0.00 179.97 180.12 2vwy n ASN 745 N -3.42 3.71 -4.57 0.08 3.02 0.05 -4.71 115.26 109.41 2vwy n ASN 745 Ca -0.03 -2.04 -0.35 0.00 -0.03 0.00 0.00 54.58 52.13 2vwy n ASN 745 Cb 0.11 -0.46 -0.11 0.00 -0.61 0.00 0.00 39.78 38.71 2vwy n ASN 745 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2vwy s ILE 746 N -1.16 4.64 0.12 2.41 -1.09 -0.75 -0.59 121.20 124.77 2vwy s ILE 746 Ca 0.46 -0.08 0.04 0.00 -2.23 0.00 0.00 60.65 58.84 2vwy s ILE 746 Cb 0.24 -3.11 -0.04 0.00 -1.58 0.00 0.00 42.46 37.97 2vwy s ILE 746 CO 0.30 0.42 0.09 -0.76 -1.23 0.00 0.00 174.94 173.76 2vwy s LEU 747 N 0.77 3.77 -0.08 2.97 1.43 0.08 -0.91 118.68 126.71 2vwy s LEU 747 Ca 0.03 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 2vwy s LEU 747 Cb -0.13 -2.42 0.01 0.00 0.03 0.00 0.00 46.19 43.68 2vwy s LEU 747 CO 0.02 0.13 -0.14 -0.69 0.23 0.00 0.00 176.35 175.90 2vwy s VAL 748 N -1.54 1.28 0.45 -1.59 1.01 -0.45 -0.40 120.40 119.17 2vwy s VAL 748 Ca 0.30 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.74 2vwy s VAL 748 Cb -0.11 -1.17 0.09 0.00 0.00 0.00 0.00 36.38 35.19 2vwy s VAL 748 CO 0.22 0.39 0.62 -0.46 0.00 0.00 0.00 175.10 175.87 2vwy n ASN 749 N 3.93 0.96 0.28 3.32 0.23 -0.46 -0.94 115.26 122.58 2vwy n ASN 749 Ca -0.21 -1.78 0.16 0.00 -0.53 0.00 0.00 54.58 52.22 2vwy n ASN 749 Cb 0.52 -0.39 0.76 0.00 -2.08 0.00 0.00 39.78 38.59 2vwy n ASN 749 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2vwy h SER 750 N -0.30 0.00 -0.44 0.53 0.02 -1.92 -1.60 113.55 109.83 2vwy h SER 750 Ca -0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2vwy h SER 750 Cb 0.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.33 2vwy h SER 750 CO 0.23 0.07 0.00 0.59 -1.14 0.00 0.00 176.83 176.58 2vwy n ASN 751 N -3.28 2.55 -0.37 3.07 3.02 -1.26 -4.92 115.26 114.07 2vwy n ASN 751 Ca -0.01 -1.97 -0.05 0.00 -0.03 0.00 0.00 54.58 52.53 2vwy n ASN 751 Cb 0.27 -0.29 -0.02 0.00 -0.61 0.00 0.00 39.78 39.12 2vwy n ASN 751 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2vwy n LEU 752 N 0.89 -0.15 -4.71 3.41 4.77 -0.60 -5.00 117.00 115.62 2vwy n LEU 752 Ca 0.16 0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.84 2vwy n LEU 752 Cb 0.41 -1.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.03 2vwy n LEU 752 CO 0.12 -0.45 0.92 -0.69 -1.33 0.00 0.00 177.39 175.95 2vwy s VAL 753 N -1.97 3.98 -0.12 4.08 1.01 -1.26 -4.75 120.40 121.36 2vwy s VAL 753 Ca 0.00 1.41 -0.12 0.00 0.00 0.00 0.00 61.98 63.27 2vwy s VAL 753 Cb 0.00 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 2vwy s VAL 753 CO 0.00 0.09 0.26 0.00 0.00 0.00 0.00 175.10 175.45 2vwy s LYS 755 N -0.21 0.78 0.17 0.00 1.02 0.47 -4.39 119.74 117.57 2vwy s LYS 755 Ca 0.17 -0.33 -0.30 0.00 0.02 0.00 0.00 55.97 55.53 2vwy s LYS 755 Cb -0.13 -0.75 -0.08 0.00 -0.52 0.00 0.00 37.83 36.35 2vwy s LYS 755 CO 0.05 0.19 1.28 0.08 -0.92 0.00 0.00 175.35 176.02 2vwy s VAL 756 N -0.16 3.40 0.42 3.17 1.01 -0.07 -0.74 120.40 127.43 2vwy s VAL 756 Ca 0.03 1.13 0.04 0.00 0.00 0.00 0.00 61.98 63.17 2vwy s VAL 756 Cb -0.04 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 2vwy s VAL 756 CO -0.00 0.15 0.14 -0.94 0.00 0.00 0.00 175.10 174.45 2vwy s SER 757 N 0.44 2.86 -0.04 3.32 1.04 0.24 -1.70 113.70 119.85 2vwy s SER 757 Ca 0.57 -1.71 -0.00 0.00 0.48 0.00 0.00 55.95 55.28 2vwy s SER 757 Cb -0.35 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.34 2vwy s SER 757 CO 0.36 -0.97 0.01 -0.67 0.98 0.00 0.00 173.24 172.95 2vwy n ASP 758 N -1.40 -2.69 -4.24 7.02 4.64 -1.26 -4.82 116.55 113.80 2vwy n ASP 758 Ca -0.06 0.15 -0.30 0.00 -1.38 0.00 0.00 54.79 53.20 2vwy n ASP 758 Cb 0.65 -1.50 -0.16 0.00 -1.04 0.00 0.00 41.12 39.06 2vwy n ASP 758 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 2vwy s PHE 759 N -0.34 2.26 0.00 -0.67 0.40 -1.26 -4.95 117.98 113.42 2vwy s PHE 759 Ca 0.00 -0.64 0.00 0.00 -0.60 0.00 0.00 56.93 55.70 2vwy s PHE 759 Cb -0.00 -1.48 0.00 0.00 0.51 0.00 0.00 43.02 42.05 2vwy s PHE 759 CO 0.09 -0.19 0.00 0.41 0.70 0.00 0.00 175.22 176.24 2vwy n GLY 760 N 2.93 1.41 0.01 4.36 0.00 -1.26 -4.11 105.19 108.53 2vwy n GLY 760 Ca -0.17 -0.36 0.02 0.00 0.00 0.00 0.00 46.02 45.50 2vwy n GLY 760 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2vwy n LEU 761 N 0.00 2.05 -4.71 0.99 4.77 -1.26 -5.03 117.00 113.81 2vwy n LEU 761 Ca 0.00 -2.18 -0.42 0.00 -0.03 0.00 0.00 56.01 53.38 2vwy n LEU 761 Cb 0.00 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 2vwy n LEU 761 CO 0.00 0.53 0.96 -0.44 -1.33 0.00 0.00 177.39 177.11 2vwy s SER 762 N -1.32 6.97 0.56 -1.43 0.01 -1.26 -4.96 113.70 112.27 2vwy s SER 762 Ca 0.06 2.15 -0.18 0.00 1.31 0.00 0.00 55.95 59.28 2vwy s SER 762 Cb 0.05 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.60 2vwy s SER 762 CO 0.01 -0.54 0.44 0.54 0.41 0.00 0.00 173.24 174.09 2vwy n ARG 763 N 3.90 0.44 -1.53 12.44 3.00 -1.26 -4.19 116.66 129.46 2vwy n ARG 763 Ca 0.10 0.17 -0.31 0.00 -0.01 0.00 0.00 57.85 57.80 2vwy n ARG 763 Cb 0.45 -1.61 0.06 0.00 0.00 0.00 0.00 32.46 31.36 2vwy n ARG 763 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2vwy s PHE 764 N -1.76 2.83 0.44 -1.55 0.40 -1.26 -1.38 117.98 115.70 2vwy s PHE 764 Ca 0.67 1.50 0.22 0.00 -0.60 0.00 0.00 56.93 58.72 2vwy s PHE 764 Cb -0.45 -2.99 1.20 0.00 0.51 0.00 0.00 43.02 41.28 2vwy s PHE 764 CO 0.56 -1.49 1.82 1.37 0.70 0.00 0.00 175.22 178.18 2vwy h LEU 765 N -0.64 0.32 -0.75 -0.37 8.10 -1.07 -0.18 115.31 120.72 2vwy h LEU 765 Ca -0.44 0.05 -0.09 0.00 0.11 0.00 0.00 57.88 57.50 2vwy h LEU 765 Cb 1.22 -0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 41.42 2vwy h LEU 765 CO 0.54 0.09 -0.43 -0.33 -4.11 0.00 0.00 178.44 174.20 2vwy h GLU 766 N 0.30 0.00 0.00 0.17 3.07 -1.92 -3.18 114.58 113.02 2vwy h GLU 766 Ca 0.53 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.39 2vwy h GLU 766 Cb 1.51 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.42 2vwy h GLU 766 CO -0.18 0.43 0.00 0.93 -1.40 0.00 0.00 179.01 178.79 2vwy h GLU 767 N 0.00 0.00 0.00 2.33 5.08 -1.38 -3.47 114.58 117.14 2vwy h GLU 767 Ca -0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 2vwy h GLU 767 Cb 1.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.27 2vwy h GLU 767 CO 0.06 0.00 -0.03 0.09 -1.00 0.00 0.00 179.01 178.12 2vwy n ASN 768 N -2.85 0.96 -4.54 1.42 3.02 -1.20 -4.99 115.26 107.07 2vwy n ASN 768 Ca 0.04 -1.67 -0.56 0.00 -0.03 0.00 0.00 54.58 52.36 2vwy n ASN 768 Cb 0.45 -0.17 -0.07 0.00 -0.61 0.00 0.00 39.78 39.38 2vwy n ASN 768 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2vwy n SER 769 N -2.66 0.79 0.00 6.41 3.41 -1.26 -4.82 113.62 115.49 2vwy n SER 769 Ca 0.07 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.82 2vwy n SER 769 Cb 0.26 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.16 2vwy n SER 769 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2vwy n SER 770 N 2.00 0.00 -1.92 4.04 3.41 -1.26 -5.01 113.62 114.88 2vwy n SER 770 Ca 0.19 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.61 2vwy n SER 770 Cb 0.13 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.18 2vwy n SER 770 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2vwy n ASP 771 N -2.99 4.77 0.00 4.04 8.00 -1.26 -5.14 116.55 123.96 2vwy n ASP 771 Ca 0.00 -3.19 0.00 0.00 0.71 0.00 0.00 54.79 52.31 2vwy n ASP 771 Cb 0.00 -0.84 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 2vwy n ASP 771 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vwy n GLY 779 N -0.45 0.00 5.54 0.44 0.00 -0.48 -5.14 105.19 105.10 2vwy n GLY 779 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 2vwy n GLY 779 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vwy n GLY 780 N -1.62 -2.13 3.90 -0.02 0.00 -1.26 -4.84 105.19 99.21 2vwy n GLY 780 Ca 0.00 -1.49 -0.28 0.00 0.00 0.00 0.00 46.02 44.24 2vwy n GLY 780 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vwy s LYS 781 N -0.14 3.60 0.19 1.61 -0.14 -1.26 -0.42 119.74 123.17 2vwy s LYS 781 Ca 0.00 0.31 -0.31 0.00 -1.36 0.00 0.00 55.97 54.61 2vwy s LYS 781 Cb 0.00 -2.35 -0.10 0.00 -1.68 0.00 0.00 37.83 33.70 2vwy s LYS 781 CO 0.00 -0.20 1.47 0.42 -0.76 0.00 0.00 175.35 176.29 2vwy s ILE 782 N -2.70 2.79 -1.13 2.17 1.01 -1.26 -4.89 121.20 117.20 2vwy s ILE 782 Ca 0.49 0.60 -0.21 0.00 0.00 0.00 0.00 60.65 61.53 2vwy s ILE 782 Cb -0.10 -3.39 0.06 0.00 0.01 0.00 0.00 42.46 39.04 2vwy s ILE 782 CO 0.43 0.07 1.56 -2.16 0.00 0.00 0.00 174.94 174.84 2vwy s PRO 783 N 0.49 3.75 0.23 2.79 0.04 -1.26 -4.85 135.00 136.19 2vwy s PRO 783 Ca 0.64 -1.48 -0.06 0.00 0.04 0.00 0.00 61.00 60.14 2vwy s PRO 783 Cb -0.41 -5.43 0.36 0.00 0.04 0.00 0.00 34.50 29.06 2vwy s PRO 783 CO 0.36 -2.22 1.77 0.82 0.04 0.00 0.00 177.00 177.76 2vwy h ILE 784 N 6.30 0.80 0.00 0.56 1.08 -1.94 -1.21 117.51 123.10 2vwy h ILE 784 Ca 0.30 -0.19 -0.01 0.00 -0.39 0.00 0.00 64.86 64.57 2vwy h ILE 784 Cb 0.95 0.20 -0.00 0.00 -3.07 0.00 0.00 36.82 34.90 2vwy h ILE 784 CO 1.44 0.10 -0.03 0.03 -0.69 0.00 0.00 178.15 179.00 2vwy h ARG 785 N 0.55 0.00 -0.01 2.37 3.08 -1.94 -2.15 114.38 116.29 2vwy h ARG 785 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.41 2vwy h ARG 785 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2vwy h ARG 785 CO -0.30 0.03 -0.62 0.91 -1.07 0.00 0.00 179.97 178.92 2vwy n TRP 786 N -3.28 0.00 -4.02 3.04 8.01 -0.48 -5.00 117.44 115.71 2vwy n TRP 786 Ca -0.02 0.00 -0.36 0.00 -1.31 0.00 0.00 57.50 55.81 2vwy n TRP 786 Cb 0.18 0.00 -0.08 0.00 -2.01 0.00 0.00 31.31 29.40 2vwy n TRP 786 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 2vwy s THR 787 N -2.56 5.05 0.54 -0.99 2.01 -0.81 -3.53 115.64 115.36 2vwy s THR 787 Ca 0.15 0.04 -0.21 0.00 0.31 0.00 0.00 61.69 61.98 2vwy s THR 787 Cb 0.17 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 69.42 2vwy s THR 787 CO 0.64 0.57 1.24 0.00 -0.69 0.00 0.00 174.62 176.38 2vwy s ALA 788 N -0.64 2.75 0.28 7.40 0.00 -1.26 -4.79 121.76 125.50 2vwy s ALA 788 Ca 0.12 1.08 -0.03 0.00 0.00 0.00 0.00 51.96 53.13 2vwy s ALA 788 Cb -0.12 -3.47 0.38 0.00 0.00 0.00 0.00 23.12 19.92 2vwy s ALA 788 CO 0.02 -1.07 1.94 -1.00 0.00 0.00 0.00 175.76 175.65 2vwy h PRO 789 N 1.41 1.18 0.00 0.00 0.13 -1.95 -1.17 132.00 131.59 2vwy h PRO 789 Ca -0.50 -0.07 -0.07 0.00 -0.87 0.00 0.00 66.00 64.49 2vwy h PRO 789 Cb 1.28 -0.27 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 2vwy h PRO 789 CO 0.57 0.78 -0.33 1.05 -0.23 0.00 0.00 178.00 179.84 2vwy h GLU 790 N 1.21 0.00 0.00 0.86 9.09 -1.91 -1.14 114.58 122.70 2vwy h GLU 790 Ca 0.35 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.51 2vwy h GLU 790 Cb -0.09 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.02 2vwy h GLU 790 CO -0.09 0.33 -1.00 0.00 0.05 0.00 0.00 179.01 178.30 2vwy h ALA 791 N 1.67 0.23 -0.11 1.06 0.00 -1.36 -0.88 119.26 119.88 2vwy h ALA 791 Ca -0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 2vwy h ALA 791 Cb 0.63 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2vwy h ALA 791 CO 0.04 0.75 0.04 0.82 0.00 0.00 0.00 179.25 180.90 2vwy h ILE 792 N 0.32 1.16 -0.13 0.00 2.04 -1.13 -0.28 117.51 119.50 2vwy h ILE 792 Ca -0.11 -0.47 -0.07 0.00 1.00 0.00 0.00 64.86 65.21 2vwy h ILE 792 Cb 1.65 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 38.99 2vwy h ILE 792 CO 0.19 0.14 -0.19 0.00 0.00 0.00 0.00 178.15 178.29 2vwy h ALA 793 N 0.87 0.20 -0.00 1.87 0.00 -1.25 -3.37 119.26 117.58 2vwy h ALA 793 Ca 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2vwy h ALA 793 Cb 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2vwy h ALA 793 CO -0.00 0.13 -0.02 1.19 0.00 0.00 0.00 179.25 180.55 2vwy n PHE 794 N -4.52 0.00 -2.52 0.00 0.99 -0.34 -5.00 117.46 106.08 2vwy n PHE 794 Ca -0.07 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.22 2vwy n PHE 794 Cb 0.40 0.00 -0.00 0.00 -1.00 0.00 0.00 39.48 38.88 2vwy n PHE 794 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2vwy n ARG 795 N 0.11 -2.30 -2.92 -1.08 1.74 -0.11 -4.93 116.66 107.16 2vwy n ARG 795 Ca 0.02 0.77 -0.43 0.00 -0.77 0.00 0.00 57.85 57.43 2vwy n ARG 795 Cb 0.10 -5.42 -0.04 0.00 -1.02 0.00 0.00 32.46 26.08 2vwy n ARG 795 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2vwy s LYS 796 N -5.15 3.13 -0.28 5.56 -0.14 -1.24 -4.98 119.74 116.65 2vwy s LYS 796 Ca 0.05 -0.84 -0.12 0.00 -1.36 0.00 0.00 55.97 53.70 2vwy s LYS 796 Cb -0.02 -4.20 -0.05 0.00 -1.68 0.00 0.00 37.83 31.88 2vwy s LYS 796 CO 0.06 -1.67 0.22 -0.06 -0.76 0.00 0.00 175.35 173.13 2vwy s PHE 797 N 3.69 3.23 0.29 3.18 0.40 -1.26 -3.87 117.98 123.64 2vwy s PHE 797 Ca 0.21 0.16 0.03 0.00 -0.60 0.00 0.00 56.93 56.73 2vwy s PHE 797 Cb -0.18 -2.41 -0.04 0.00 0.51 0.00 0.00 43.02 40.91 2vwy s PHE 797 CO 0.11 -0.17 0.15 0.95 0.70 0.00 0.00 175.22 176.97 2vwy s THR 798 N 1.80 0.32 0.45 0.64 -4.23 -1.26 -4.99 115.64 108.36 2vwy s THR 798 Ca 0.08 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.78 2vwy s THR 798 Cb -0.16 -2.53 0.22 0.00 1.34 0.00 0.00 72.50 71.38 2vwy s THR 798 CO 0.11 0.00 2.03 0.28 -0.54 0.00 0.00 174.62 176.49 2vwy h SER 799 N 2.26 0.00 0.43 3.99 0.02 -1.97 -1.43 113.55 116.85 2vwy h SER 799 Ca -0.34 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.52 2vwy h SER 799 Cb 1.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 2vwy h SER 799 CO 0.53 0.16 -0.44 0.00 -1.14 0.00 0.00 176.83 175.94 2vwy h ALA 800 N 1.84 1.27 -0.04 3.77 0.00 -1.94 0.03 119.26 124.19 2vwy h ALA 800 Ca -0.00 -0.40 -0.17 0.00 0.00 0.00 0.00 54.91 54.34 2vwy h ALA 800 Cb 0.31 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2vwy h ALA 800 CO 0.02 0.55 -0.71 0.66 0.00 0.00 0.00 179.25 179.77 2vwy h SER 801 N 0.01 0.27 -0.14 0.00 4.64 -1.63 -2.88 113.55 113.81 2vwy h SER 801 Ca -0.00 -0.18 -0.04 0.00 -0.47 0.00 0.00 61.79 61.10 2vwy h SER 801 Cb 0.78 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 2vwy h SER 801 CO 0.06 0.89 -0.02 0.44 -0.87 0.00 0.00 176.83 177.33 2vwy h ASP 802 N 0.16 0.36 -0.71 4.97 3.32 -0.57 -1.74 116.42 122.21 2vwy h ASP 802 Ca -0.02 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 2vwy h ASP 802 Cb 1.26 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.69 2vwy h ASP 802 CO 0.11 0.44 0.20 0.00 -1.72 0.00 0.00 179.24 178.27 2vwy h ALA 803 N 1.61 1.00 0.29 3.45 0.00 -0.81 0.88 119.26 125.68 2vwy h ALA 803 Ca 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2vwy h ALA 803 Cb 0.28 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2vwy h ALA 803 CO 0.01 0.66 -0.34 2.35 0.00 0.00 0.00 179.25 181.93 2vwy h TRP 804 N 1.07 -0.92 -0.75 0.00 2.91 -1.20 -1.70 115.95 115.36 2vwy h TRP 804 Ca 0.23 0.01 0.13 0.00 1.13 0.00 0.00 58.89 60.39 2vwy h TRP 804 Cb 0.33 0.37 -0.09 0.00 -0.51 0.00 0.00 29.16 29.25 2vwy h TRP 804 CO 0.03 -0.47 0.31 0.77 -1.03 0.00 0.00 178.44 178.04 2vwy h SER 805 N -0.68 0.31 -0.77 2.65 0.02 -0.89 -1.43 113.55 112.78 2vwy h SER 805 Ca -0.01 0.10 0.10 0.00 -0.84 0.00 0.00 61.79 61.14 2vwy h SER 805 Cb 0.63 0.07 -0.07 0.00 0.14 0.00 0.00 62.40 63.16 2vwy h SER 805 CO -0.09 0.13 0.40 0.22 -1.14 0.00 0.00 176.83 176.35 2vwy h TYR 806 N 0.47 0.73 -0.74 3.45 3.20 -0.33 0.44 116.97 124.19 2vwy h TYR 806 Ca 0.40 0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.37 2vwy h TYR 806 Cb 0.59 -0.21 -0.06 0.00 1.54 0.00 0.00 36.73 38.58 2vwy h TYR 806 CO -0.15 0.27 0.42 0.78 -1.64 0.00 0.00 178.16 177.84 2vwy h GLY 807 N 0.67 1.11 0.99 1.82 0.00 -0.37 0.12 103.07 107.41 2vwy h GLY 807 Ca 0.38 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 2vwy h GLY 807 CO -0.27 0.17 0.31 -2.22 0.00 0.00 0.00 176.54 174.54 2vwy h ILE 808 N 0.76 1.15 -0.85 2.60 1.08 -0.59 -2.20 117.51 119.48 2vwy h ILE 808 Ca 0.34 -0.34 0.01 0.00 -0.39 0.00 0.00 64.86 64.48 2vwy h ILE 808 Cb 0.22 0.45 -0.04 0.00 -3.07 0.00 0.00 36.82 34.38 2vwy h ILE 808 CO -0.20 0.16 0.56 0.58 -0.69 0.00 0.00 178.15 178.56 2vwy h VAL 809 N 0.69 1.21 -0.54 1.67 2.07 0.07 -0.07 116.25 121.36 2vwy h VAL 809 Ca 0.19 -0.39 0.10 0.00 0.82 0.00 0.00 66.70 67.41 2vwy h VAL 809 Cb -0.02 -0.03 -0.08 0.00 -1.52 0.00 0.00 31.29 29.65 2vwy h VAL 809 CO -0.04 0.21 0.10 0.24 0.02 0.00 0.00 177.57 178.10 2vwy h MET 810 N 1.14 0.22 -0.46 1.57 2.86 -0.47 0.26 114.93 120.04 2vwy h MET 810 Ca 0.31 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.92 2vwy h MET 810 Cb -0.13 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 2vwy h MET 810 CO -0.07 0.15 0.22 2.35 1.06 0.00 0.00 176.91 180.62 2vwy h TRP 811 N 0.23 0.67 -0.72 -0.22 7.01 -0.73 -1.00 115.95 121.19 2vwy h TRP 811 Ca 0.27 -0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.29 2vwy h TRP 811 Cb 0.39 -0.21 -0.05 0.00 -2.10 0.00 0.00 29.16 27.19 2vwy h TRP 811 CO -0.25 0.54 0.42 0.93 -2.79 0.00 0.00 178.44 177.29 2vwy h GLU 812 N 0.61 0.76 -0.16 2.65 5.08 -0.31 -0.84 114.58 122.36 2vwy h GLU 812 Ca 0.16 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 2vwy h GLU 812 Cb 0.12 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 2vwy h GLU 812 CO -0.02 0.50 -0.20 0.28 -1.00 0.00 0.00 179.01 178.58 2vwy h VAL 813 N 0.78 1.35 0.00 3.13 2.07 -0.64 0.23 116.25 123.17 2vwy h VAL 813 Ca 0.31 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.45 2vwy h VAL 813 Cb 0.15 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2vwy h VAL 813 CO -0.17 0.41 0.00 0.23 0.02 0.00 0.00 177.57 178.07 2vwy n MET 814 N -4.48 0.16 -0.28 1.57 2.81 -0.41 -1.66 117.12 114.82 2vwy n MET 814 Ca -0.06 0.30 0.11 0.00 -1.81 0.00 0.00 57.70 56.24 2vwy n MET 814 Cb 0.40 -1.75 0.28 0.00 -0.71 0.00 0.00 33.22 31.44 2vwy n MET 814 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2vwy n SER 815 N -2.04 3.56 -3.85 7.83 3.41 -0.33 -4.72 113.62 117.48 2vwy n SER 815 Ca 0.04 -1.99 -0.25 0.00 -0.26 0.00 0.00 58.87 56.41 2vwy n SER 815 Cb 0.28 -0.37 0.01 0.00 -0.26 0.00 0.00 64.21 63.86 2vwy n SER 815 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2vwy n PHE 816 N 1.48 -1.89 -1.60 7.33 3.01 -0.67 -3.23 117.46 121.89 2vwy n PHE 816 Ca 0.22 0.82 -0.01 0.00 1.01 0.00 0.00 57.45 59.49 2vwy n PHE 816 Cb 0.59 -4.04 -0.00 0.00 -0.01 0.00 0.00 39.48 36.02 2vwy n PHE 816 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2vwy n GLY 817 N -1.71 0.38 3.73 1.37 0.00 0.77 -3.14 105.19 106.59 2vwy n GLY 817 Ca -0.22 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 2vwy n GLY 817 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2vwy s GLU 818 N -3.21 2.02 -0.10 1.61 2.56 -1.20 -4.87 118.70 115.51 2vwy s GLU 818 Ca 0.00 1.45 -0.30 0.00 0.00 0.00 0.00 54.97 56.13 2vwy s GLU 818 Cb 0.00 -1.85 -0.01 0.00 2.00 0.00 0.00 34.13 34.27 2vwy s GLU 818 CO 0.00 -1.86 1.01 0.50 -0.56 0.00 0.00 175.26 174.35 2vwy s ARG 819 N -4.44 4.42 0.15 4.30 3.52 -1.26 -4.78 118.95 120.87 2vwy s ARG 819 Ca 0.67 1.40 -0.34 0.00 -0.13 0.00 0.00 55.73 57.33 2vwy s ARG 819 Cb -0.22 -3.54 -0.14 0.00 -1.56 0.00 0.00 34.95 29.49 2vwy s ARG 819 CO 0.51 -0.31 1.59 -2.30 -0.81 0.00 0.00 175.30 173.97 2vwy n PRO 820 N 4.99 2.15 -1.29 5.12 -0.02 -1.26 -1.89 135.00 142.80 2vwy n PRO 820 Ca 0.09 0.78 -0.10 0.00 -2.02 0.00 0.00 63.50 62.24 2vwy n PRO 820 Cb 0.49 -2.55 -0.04 0.00 -0.02 0.00 0.00 33.50 31.37 2vwy n PRO 820 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2vwy n TYR 821 N 3.55 0.00 0.00 6.00 4.01 -1.26 -4.87 117.16 124.58 2vwy n TYR 821 Ca 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 2vwy n TYR 821 Cb 0.29 -2.06 0.00 0.00 -0.31 0.00 0.00 39.34 37.26 2vwy n TYR 821 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2vwy n TRP 822 N -2.60 0.00 0.22 -0.72 8.01 -0.79 -1.11 117.44 120.44 2vwy n TRP 822 Ca -0.10 0.00 0.10 0.00 -1.31 0.00 0.00 57.50 56.19 2vwy n TRP 822 Cb 0.38 0.00 0.26 0.00 -2.01 0.00 0.00 31.31 29.95 2vwy n TRP 822 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 2vwy n ASP 823 N 3.25 3.10 -4.70 -0.99 3.85 -1.26 -4.94 116.55 114.87 2vwy n ASP 823 Ca 0.00 -1.98 -0.42 0.00 -0.71 0.00 0.00 54.79 51.69 2vwy n ASP 823 Cb 0.00 -0.35 0.00 0.00 -1.35 0.00 0.00 41.12 39.42 2vwy n ASP 823 CO 0.00 0.00 0.00 0.23 -1.01 0.00 0.00 177.20 176.42 2vwy n MET 824 N 1.21 2.00 -1.37 0.11 2.81 -0.27 -4.98 117.12 116.63 2vwy n MET 824 Ca 0.20 0.71 -0.32 0.00 -1.81 0.00 0.00 57.70 56.47 2vwy n MET 824 Cb 0.50 -2.34 0.08 0.00 -0.71 0.00 0.00 33.22 30.76 2vwy n MET 824 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2vwy s SER 825 N -0.43 4.52 0.23 7.83 1.04 -1.26 -4.83 113.70 120.80 2vwy s SER 825 Ca 0.58 1.95 -0.06 0.00 0.48 0.00 0.00 55.95 58.90 2vwy s SER 825 Cb -0.54 -2.54 0.40 0.00 0.10 0.00 0.00 66.02 63.44 2vwy s SER 825 CO 0.60 -2.03 1.71 0.78 0.98 0.00 0.00 173.24 175.29 2vwy h ASN 826 N -0.78 0.13 0.09 7.02 2.35 -1.99 0.39 115.58 122.79 2vwy h ASN 826 Ca -0.45 0.12 -0.14 0.00 -0.55 0.00 0.00 56.30 55.28 2vwy h ASN 826 Cb 1.24 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.73 2vwy h ASN 826 CO 0.51 0.04 -0.47 -0.61 -1.65 0.00 0.00 177.43 175.25 2vwy h GLN 827 N 0.34 0.45 -0.69 0.81 5.75 -1.99 -1.05 115.11 118.74 2vwy h GLN 827 Ca 0.38 -0.25 0.05 0.00 -0.15 0.00 0.00 58.65 58.68 2vwy h GLN 827 Cb 0.58 0.02 -0.05 0.00 1.07 0.00 0.00 27.48 29.09 2vwy h GLN 827 CO -0.42 0.83 0.40 -0.44 -2.65 0.00 0.00 178.83 176.54 2vwy h ASP 828 N 0.36 0.60 -0.11 -0.69 3.32 -1.54 -0.69 116.42 117.67 2vwy h ASP 828 Ca 0.02 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2vwy h ASP 828 Cb 0.97 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.41 2vwy h ASP 828 CO 0.08 0.40 0.01 0.58 -1.72 0.00 0.00 179.24 178.59 2vwy h VAL 829 N 0.74 1.23 -0.45 -1.35 2.07 -0.66 -0.41 116.25 117.43 2vwy h VAL 829 Ca 0.30 -0.73 0.08 0.00 0.82 0.00 0.00 66.70 67.17 2vwy h VAL 829 Cb 0.15 1.51 -0.07 0.00 -1.52 0.00 0.00 31.29 31.37 2vwy h VAL 829 CO -0.17 0.21 0.06 0.40 0.02 0.00 0.00 177.57 178.09 2vwy h ILE 830 N -0.07 0.72 -0.32 4.57 2.04 -0.93 -1.24 117.51 122.28 2vwy h ILE 830 Ca 0.03 -0.06 -0.17 0.00 1.00 0.00 0.00 64.86 65.65 2vwy h ILE 830 Cb 0.31 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 2vwy h ILE 830 CO 0.00 0.03 -0.49 0.78 0.00 0.00 0.00 178.15 178.48 2vwy h ASN 831 N 0.18 0.96 -0.22 1.72 2.35 -1.05 -2.47 115.58 117.06 2vwy h ASN 831 Ca 0.22 -0.49 0.01 0.00 -0.55 0.00 0.00 56.30 55.50 2vwy h ASN 831 Cb 0.30 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 2vwy h ASN 831 CO -0.32 1.28 0.11 0.00 -1.65 0.00 0.00 177.43 176.85 2vwy h ALA 832 N 0.75 0.26 -0.47 -0.83 0.00 -0.74 -0.54 119.26 117.69 2vwy h ALA 832 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2vwy h ALA 832 Cb 1.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2vwy h ALA 832 CO 0.11 -0.30 0.30 0.82 0.00 0.00 0.00 179.25 180.19 2vwy h ILE 833 N 0.24 1.13 0.00 0.00 1.08 -1.22 0.12 117.51 118.86 2vwy h ILE 833 Ca 0.09 -0.26 -0.00 0.00 -0.39 0.00 0.00 64.86 64.30 2vwy h ILE 833 Cb 0.02 0.46 -0.00 0.00 -3.07 0.00 0.00 36.82 34.22 2vwy h ILE 833 CO -0.06 0.13 -0.02 -0.08 -0.69 0.00 0.00 178.15 177.43 2vwy h GLU 834 N 0.63 0.00 -0.90 2.37 4.57 -1.21 -2.32 114.58 117.73 2vwy h GLU 834 Ca 0.17 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 58.03 2vwy h GLU 834 Cb -0.05 0.00 -0.19 0.00 -0.16 0.00 0.00 28.75 28.34 2vwy h GLU 834 CO -0.04 0.02 0.41 1.04 -1.18 0.00 0.00 179.01 179.26 2vwy n GLN 835 N -4.49 2.73 -0.92 1.92 1.13 -0.23 -4.92 117.38 112.60 2vwy n GLN 835 Ca -0.03 -2.65 0.00 0.00 -1.94 0.00 0.00 57.00 52.38 2vwy n GLN 835 Cb 0.10 -2.06 0.00 0.00 0.11 0.00 0.00 30.24 28.39 2vwy n GLN 835 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2vwy n ASP 836 N -0.52 -0.99 -4.76 1.08 8.00 -0.86 -4.98 116.55 113.52 2vwy n ASP 836 Ca 0.44 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.53 2vwy n ASP 836 Cb 1.40 -0.71 -0.02 0.00 -0.02 0.00 0.00 41.12 41.77 2vwy n ASP 836 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2vwy s TYR 837 N -2.92 2.95 0.03 1.24 5.04 -0.08 -4.98 117.35 118.63 2vwy s TYR 837 Ca 0.00 1.20 0.03 0.00 -2.44 0.00 0.00 57.07 55.85 2vwy s TYR 837 Cb 0.00 -3.81 -0.02 0.00 0.35 0.00 0.00 41.96 38.48 2vwy s TYR 837 CO 0.00 -2.43 -0.08 1.03 -1.34 0.00 0.00 175.55 172.73 2vwy s ARG 838 N -1.23 0.57 0.30 4.97 1.81 -1.26 -4.32 118.95 119.79 2vwy s ARG 838 Ca 0.54 -0.65 -0.29 0.00 -1.72 0.00 0.00 55.73 53.60 2vwy s ARG 838 Cb -0.42 -0.42 -0.13 0.00 -0.45 0.00 0.00 34.95 33.53 2vwy s ARG 838 CO 0.51 0.09 1.35 1.28 -0.68 0.00 0.00 175.30 177.85 2vwy n LEU 839 N 1.80 3.42 -4.85 2.53 4.77 -1.26 -4.97 117.00 118.44 2vwy n LEU 839 Ca -0.20 1.18 -0.29 0.00 -0.03 0.00 0.00 56.01 56.67 2vwy n LEU 839 Cb 0.55 -1.47 0.10 0.00 -2.33 0.00 0.00 43.42 40.27 2vwy n LEU 839 CO 0.22 -0.45 0.75 -2.16 -1.33 0.00 0.00 177.39 174.42 2vwy s PRO 840 N -1.21 1.82 0.20 3.23 0.04 -1.26 -4.99 135.00 132.84 2vwy s PRO 840 Ca 0.61 0.25 -0.30 0.00 0.04 0.00 0.00 61.00 61.60 2vwy s PRO 840 Cb -0.60 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 31.93 2vwy s PRO 840 CO 0.56 -1.72 1.44 -1.25 0.04 0.00 0.00 177.00 176.07 2vwy s PRO 841 N -5.42 4.29 0.99 0.56 0.04 -1.26 -4.99 135.00 129.21 2vwy s PRO 841 Ca 0.62 2.24 -0.11 0.00 0.04 0.00 0.00 61.00 63.79 2vwy s PRO 841 Cb -0.12 -3.15 0.19 0.00 0.04 0.00 0.00 34.50 31.45 2vwy s PRO 841 CO 0.51 -0.43 1.11 -2.30 0.04 0.00 0.00 177.00 175.93 2vwy n PRO 842 N 2.93 -1.04 -1.63 0.56 -0.02 -1.26 -4.87 135.00 129.68 2vwy n PRO 842 Ca 0.09 -0.25 -0.47 0.00 -2.02 0.00 0.00 63.50 60.85 2vwy n PRO 842 Cb 0.41 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 2vwy n PRO 842 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2vwy n PRO 843 N -4.47 1.61 -1.24 0.52 -0.02 -1.26 -1.50 135.00 128.64 2vwy n PRO 843 Ca 0.09 0.57 -0.08 0.00 -2.02 0.00 0.00 63.50 62.07 2vwy n PRO 843 Cb 0.53 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 2vwy n PRO 843 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2vwy n ASP 844 N 2.18 -5.65 -4.70 2.55 8.00 -1.26 -4.95 116.55 112.72 2vwy n ASP 844 Ca 0.14 0.20 -0.42 0.00 0.71 0.00 0.00 54.79 55.42 2vwy n ASP 844 Cb 0.28 -3.87 -0.03 0.00 -0.02 0.00 0.00 41.12 37.48 2vwy n ASP 844 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vwy n PRO 846 N 4.77 1.66 -0.18 0.00 -0.02 -1.26 -4.31 135.00 135.66 2vwy n PRO 846 Ca 0.10 0.59 0.05 0.00 -2.02 0.00 0.00 63.50 62.22 2vwy n PRO 846 Cb 0.46 -2.18 0.32 0.00 -0.02 0.00 0.00 33.50 32.09 2vwy n PRO 846 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2vwy h THR 847 N 2.88 1.08 -0.66 3.45 2.02 -0.77 -1.96 112.91 118.96 2vwy h THR 847 Ca -0.44 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.45 2vwy h THR 847 Cb 1.30 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 2vwy h THR 847 CO 0.73 0.15 0.39 0.77 0.37 0.00 0.00 175.52 177.93 2vwy h SER 848 N 0.82 0.78 -0.33 4.18 4.64 -1.84 -0.04 113.55 121.77 2vwy h SER 848 Ca 0.29 -0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 61.45 2vwy h SER 848 Cb 0.13 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 2vwy h SER 848 CO -0.09 0.61 -0.27 -0.07 -0.87 0.00 0.00 176.83 176.13 2vwy h LEU 849 N 0.90 0.81 -0.99 5.97 3.38 -1.74 -2.22 115.31 121.43 2vwy h LEU 849 Ca 0.24 -0.45 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 2vwy h LEU 849 Cb -0.03 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 2vwy h LEU 849 CO -0.04 1.10 0.20 -0.74 0.09 0.00 0.00 178.44 179.04 2vwy h HIS 850 N 0.54 0.95 -0.41 1.13 2.76 -0.96 -0.98 115.15 118.18 2vwy h HIS 850 Ca 0.06 -0.08 -0.09 0.00 -2.20 0.00 0.00 60.37 58.06 2vwy h HIS 850 Cb 0.84 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.51 2vwy h HIS 850 CO 0.07 0.76 -0.12 0.37 -1.30 0.00 0.00 177.93 177.70 2vwy h GLN 851 N 0.90 0.74 -0.82 5.26 5.75 -0.92 -0.55 115.11 125.47 2vwy h GLN 851 Ca 0.20 -0.25 -0.03 0.00 -0.15 0.00 0.00 58.65 58.43 2vwy h GLN 851 Cb 0.25 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.70 2vwy h GLN 851 CO -0.01 0.84 0.40 1.25 -2.65 0.00 0.00 178.83 178.66 2vwy h LEU 852 N 0.67 1.07 -0.25 -2.39 5.85 -0.97 0.05 115.31 119.33 2vwy h LEU 852 Ca 0.11 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.74 2vwy h LEU 852 Cb 0.59 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 2vwy h LEU 852 CO 0.04 0.90 0.04 0.24 -0.34 0.00 0.00 178.44 179.31 2vwy h MET 853 N 1.16 0.13 -0.54 1.25 2.86 -0.56 -0.96 114.93 118.27 2vwy h MET 853 Ca 0.28 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.88 2vwy h MET 853 Cb 0.11 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 2vwy h MET 853 CO -0.04 0.08 0.21 -0.07 1.06 0.00 0.00 176.91 178.15 2vwy h LEU 854 N 0.13 0.71 -0.42 1.22 3.38 -0.61 -1.11 115.31 118.61 2vwy h LEU 854 Ca 0.12 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.02 2vwy h LEU 854 Cb 0.13 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2vwy h LEU 854 CO -0.17 0.65 0.25 0.44 0.09 0.00 0.00 178.44 179.70 2vwy h ASP 855 N 0.77 0.40 -0.21 -0.43 3.32 -0.73 -2.10 116.42 117.45 2vwy h ASP 855 Ca 0.18 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.26 2vwy h ASP 855 Cb 0.17 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2vwy h ASP 855 CO -0.02 0.29 0.14 0.00 -1.72 0.00 0.00 179.24 177.94 2vwy n TRP 857 N -4.50 2.08 -1.88 0.00 8.01 -0.49 -3.67 117.44 117.00 2vwy n TRP 857 Ca 0.01 -0.94 -0.41 0.00 -1.31 0.00 0.00 57.50 54.85 2vwy n TRP 857 Cb 0.14 -0.58 -0.01 0.00 -2.01 0.00 0.00 31.31 28.85 2vwy n TRP 857 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 2vwy s GLN 858 N -2.64 4.18 0.19 -0.99 -0.21 -1.09 -4.91 119.66 114.19 2vwy s GLN 858 Ca 0.48 2.47 -0.11 0.00 0.02 0.00 0.00 55.36 58.22 2vwy s GLN 858 Cb 0.38 -3.04 0.12 0.00 1.00 0.00 0.00 33.01 31.47 2vwy s GLN 858 CO 0.13 -0.52 1.83 -0.22 -2.12 0.00 0.00 175.29 174.39 2vwy h LYS 859 N 4.38 0.93 -6.40 2.91 1.63 -1.92 -3.38 116.57 114.71 2vwy h LYS 859 Ca -0.48 -0.09 -0.56 0.00 -0.85 0.00 0.00 60.65 58.68 2vwy h LYS 859 Cb 1.22 -0.19 -0.05 0.00 -0.60 0.00 0.00 32.23 32.61 2vwy h LYS 859 CO 0.74 0.67 1.14 0.34 -3.45 0.00 0.00 179.45 178.89 2vwy s ASP 860 N -5.93 6.10 0.44 4.20 2.15 -1.26 -4.89 116.67 117.48 2vwy s ASP 860 Ca -0.13 0.67 0.17 0.00 0.43 0.00 0.00 52.55 53.69 2vwy s ASP 860 Cb 0.14 -2.54 1.09 0.00 -0.30 0.00 0.00 42.92 41.31 2vwy s ASP 860 CO 0.78 -1.65 1.94 0.08 -0.17 0.00 0.00 175.17 176.14 2vwy h ARG 861 N 11.54 0.36 0.00 4.34 0.11 -1.95 0.25 114.38 129.02 2vwy h ARG 861 Ca -0.28 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 59.77 2vwy h ARG 861 Cb 1.12 -0.08 -0.00 0.00 1.11 0.00 0.00 29.97 32.11 2vwy h ARG 861 CO 1.12 0.24 -0.04 -0.91 0.10 0.00 0.00 179.97 180.48 2vwy h ASN 862 N 0.37 0.00 1.08 0.08 2.35 -1.94 -2.66 115.58 114.86 2vwy h ASN 862 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 2vwy h ASN 862 Cb 0.82 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.19 2vwy h ASN 862 CO -0.10 0.04 -0.24 0.00 -1.65 0.00 0.00 177.43 175.48 2vwy n ALA 863 N -2.13 2.64 -1.78 -0.83 0.00 0.07 -4.89 120.51 113.59 2vwy n ALA 863 Ca -0.01 -0.15 -0.36 0.00 0.00 0.00 0.00 53.44 52.93 2vwy n ALA 863 Cb 0.25 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.35 2vwy n ALA 863 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2vwy s ARG 864 N -3.08 3.70 0.43 0.00 0.52 -1.01 -4.98 118.95 114.53 2vwy s ARG 864 Ca 0.10 1.66 -0.26 0.00 -0.52 0.00 0.00 55.73 56.71 2vwy s ARG 864 Cb 0.15 -2.28 -0.08 0.00 0.52 0.00 0.00 34.95 33.25 2vwy s ARG 864 CO 0.63 -0.57 1.34 -1.25 0.02 0.00 0.00 175.30 175.47 2vwy s PRO 865 N -2.88 3.85 0.72 3.54 0.04 -1.26 -5.02 135.00 133.99 2vwy s PRO 865 Ca 0.66 2.24 -0.11 0.00 0.04 0.00 0.00 61.00 63.83 2vwy s PRO 865 Cb -0.25 -2.70 0.04 0.00 0.04 0.00 0.00 34.50 31.62 2vwy s PRO 865 CO 0.30 -0.62 1.09 1.03 0.04 0.00 0.00 177.00 178.84 2vwy s ARG 866 N -2.34 2.53 0.36 4.56 0.52 -1.26 -4.86 118.95 118.47 2vwy s ARG 866 Ca 0.59 0.23 0.08 0.00 -0.52 0.00 0.00 55.73 56.11 2vwy s ARG 866 Cb -0.40 -2.04 0.69 0.00 0.52 0.00 0.00 34.95 33.72 2vwy s ARG 866 CO 0.51 -1.19 1.87 0.74 0.02 0.00 0.00 175.30 177.26 2vwy h PHE 867 N -0.72 0.33 -0.90 -0.53 -1.00 -1.93 -1.79 116.94 110.40 2vwy h PHE 867 Ca -0.45 -0.04 -0.02 0.00 2.81 0.00 0.00 57.97 60.27 2vwy h PHE 867 Cb 1.28 -0.09 -0.04 0.00 3.61 0.00 0.00 35.95 40.71 2vwy h PHE 867 CO 0.42 0.45 0.48 -1.35 -1.61 0.00 0.00 178.31 176.70 2vwy h PRO 868 N 0.29 1.26 -0.54 1.51 0.11 -1.92 -0.12 132.00 132.60 2vwy h PRO 868 Ca 0.06 -0.15 -0.08 0.00 0.11 0.00 0.00 66.00 65.93 2vwy h PRO 868 Cb 0.43 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 2vwy h PRO 868 CO 0.03 0.93 0.00 1.96 -0.21 0.00 0.00 178.00 180.71 2vwy h GLN 869 N 1.26 0.91 -0.14 1.05 4.20 -1.73 -0.63 115.11 120.03 2vwy h GLN 869 Ca 0.32 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 2vwy h GLN 869 Cb 0.04 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2vwy h GLN 869 CO -0.05 0.90 0.06 0.28 -0.67 0.00 0.00 178.83 179.36 2vwy h VAL 870 N 0.84 1.13 -0.69 -0.54 2.07 -0.80 -0.51 116.25 117.75 2vwy h VAL 870 Ca 0.16 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.30 2vwy h VAL 870 Cb 0.50 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 2vwy h VAL 870 CO 0.02 0.12 0.45 0.58 0.02 0.00 0.00 177.57 178.77 2vwy h VAL 871 N 0.09 1.15 -0.76 2.57 2.07 -0.93 -1.15 116.25 119.29 2vwy h VAL 871 Ca 0.05 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2vwy h VAL 871 Cb 0.14 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.03 2vwy h VAL 871 CO -0.01 0.16 0.48 0.28 0.02 0.00 0.00 177.57 178.50 2vwy h SER 872 N 0.90 0.90 -0.38 0.57 0.02 -0.85 -0.25 113.55 114.46 2vwy h SER 872 Ca 0.26 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 2vwy h SER 872 Cb -0.06 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 2vwy h SER 872 CO -0.07 0.68 0.15 0.00 -1.14 0.00 0.00 176.83 176.44 2vwy h ALA 873 N 1.26 0.49 -0.52 3.77 0.00 -0.57 -1.68 119.26 122.01 2vwy h ALA 873 Ca 0.27 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 2vwy h ALA 873 Cb -0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2vwy h ALA 873 CO -0.05 0.10 -0.07 -0.07 0.00 0.00 0.00 179.25 179.16 2vwy h LEU 874 N 0.47 0.97 -0.91 0.00 3.38 -0.82 -2.26 115.31 116.13 2vwy h LEU 874 Ca 0.13 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.79 2vwy h LEU 874 Cb 0.20 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 2vwy h LEU 874 CO -0.01 1.07 0.59 0.44 0.09 0.00 0.00 178.44 180.62 2vwy h ASP 875 N 0.84 0.98 -0.53 -0.43 3.32 -0.85 -1.35 116.42 118.41 2vwy h ASP 875 Ca 0.14 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2vwy h ASP 875 Cb 0.62 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 2vwy h ASP 875 CO 0.04 0.68 0.34 0.11 -1.72 0.00 0.00 179.24 178.69 2vwy h LYS 876 N 1.15 0.71 -0.54 3.56 6.56 -1.05 -0.96 116.57 126.00 2vwy h LYS 876 Ca 0.36 -0.05 0.03 0.00 -1.06 0.00 0.00 60.65 59.93 2vwy h LYS 876 Cb -0.01 -0.15 -0.04 0.00 -0.57 0.00 0.00 32.23 31.45 2vwy h LYS 876 CO -0.11 0.48 0.30 0.52 -2.06 0.00 0.00 179.45 178.58 2vwy h MET 877 N 0.71 0.57 -0.71 3.15 2.86 -0.93 0.11 114.93 120.70 2vwy h MET 877 Ca 0.19 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.80 2vwy h MET 877 Cb -0.06 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.44 2vwy h MET 877 CO -0.04 0.38 0.44 0.82 1.06 0.00 0.00 176.91 179.57 2vwy h ILE 878 N 0.59 1.20 0.00 -1.22 2.04 -1.02 -1.80 117.51 117.29 2vwy h ILE 878 Ca 0.23 -0.41 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 2vwy h ILE 878 Cb 0.08 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 2vwy h ILE 878 CO -0.12 0.20 -0.22 0.03 0.00 0.00 0.00 178.15 178.04 2vwy h ARG 879 N 0.96 0.00 -2.14 2.37 -0.00 -0.59 -3.34 114.38 111.64 2vwy h ARG 879 Ca 0.26 0.00 -0.56 0.00 -0.50 0.00 0.00 59.98 59.18 2vwy h ARG 879 Cb -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 29.97 29.50 2vwy h ARG 879 CO -0.05 0.22 -0.86 0.09 0.00 0.00 0.00 179.97 179.37 2vwy n ASN 880 N -3.49 2.67 0.10 7.04 3.02 0.33 -4.94 115.26 119.99 2vwy n ASN 880 Ca -0.01 -3.30 0.09 0.00 -0.03 0.00 0.00 54.58 51.34 2vwy n ASN 880 Cb 0.39 -0.61 0.43 0.00 -0.61 0.00 0.00 39.78 39.37 2vwy n ASN 880 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2vwy n PRO 881 N 0.36 0.12 -0.20 3.52 -0.04 -0.98 -1.01 135.00 136.76 2vwy n PRO 881 Ca 0.28 0.48 0.07 0.00 -0.04 0.00 0.00 63.50 64.28 2vwy n PRO 881 Cb 0.49 -1.79 0.34 0.00 -0.04 0.00 0.00 33.50 32.50 2vwy n PRO 881 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2vwy h ALA 882 N 2.17 1.69 0.00 0.55 0.00 -1.92 -2.58 119.26 119.18 2vwy h ALA 882 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2vwy h ALA 882 Cb 0.18 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2vwy h ALA 882 CO 0.00 0.19 -0.02 0.66 0.00 0.00 0.00 179.25 180.07 2vwy h SER 883 N 0.78 0.00 0.96 0.00 4.64 -1.41 -1.47 113.55 117.05 2vwy h SER 883 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 2vwy h SER 883 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2vwy h SER 883 CO -0.11 0.02 0.00 0.18 -0.87 0.00 0.00 176.83 176.05 2vwy n LEU 884 N -3.96 0.00 0.21 5.97 4.77 -0.97 -3.48 117.00 119.54 2vwy n LEU 884 Ca -0.03 0.50 0.06 0.00 -0.03 0.00 0.00 56.01 56.51 2vwy n LEU 884 Cb 0.11 -0.50 0.46 0.00 -2.33 0.00 0.00 43.42 41.16 2vwy n LEU 884 CO 0.29 -0.02 0.79 0.11 -1.33 0.00 0.00 177.39 177.23 2vwy h LYS 885 N 0.00 0.00 -6.35 3.23 6.56 -1.37 -3.39 116.57 115.24 2vwy h LYS 885 Ca 0.00 0.00 -0.57 0.00 -1.06 0.00 0.00 60.65 59.02 2vwy h LYS 885 Cb 0.48 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.10 2vwy h LYS 885 CO 0.00 0.30 1.04 0.42 -2.06 0.00 0.00 179.45 179.15 2vwy s ILE 886 N -4.05 3.96 0.07 1.86 1.01 -1.23 -4.99 121.20 117.83 2vwy s ILE 886 Ca -0.02 1.07 0.06 0.00 0.00 0.00 0.00 60.65 61.76 2vwy s ILE 886 Cb 0.13 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 2vwy s ILE 886 CO 0.68 -0.45 -0.18 -0.69 0.00 0.00 0.00 174.94 174.30 2vwy s VAL 887 N 4.81 1.42 -2.10 2.92 1.01 -1.26 -0.06 120.40 127.14 2vwy s VAL 887 Ca 0.62 -1.28 0.31 0.00 0.00 0.00 0.00 61.98 61.63 2vwy s VAL 887 Cb -0.19 -1.29 0.84 0.00 0.00 0.00 0.00 36.38 35.74 2vwy s VAL 887 CO 0.26 -0.02 2.13 0.00 0.00 0.00 0.00 175.10 177.47