#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vwv s ALA 607 N 0.00 2.35 -0.01 4.37 0.00 -1.26 -4.06 121.76 123.15 2vwv s ALA 607 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.58 2vwv s ALA 607 Cb 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.68 2vwv s ALA 607 CO 0.00 0.54 0.00 1.63 0.00 0.00 0.00 175.76 177.93 2vwv n LYS 608 N 1.28 -0.28 -1.67 0.00 4.76 -1.26 -4.80 118.16 116.20 2vwv n LYS 608 Ca -0.17 0.09 -0.46 0.00 -2.87 0.00 0.00 58.31 54.90 2vwv n LYS 608 Cb 0.52 -3.31 -0.04 0.00 -1.84 0.00 0.00 35.03 30.37 2vwv n LYS 608 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2vwv n GLU 609 N -2.46 2.05 -4.22 1.97 4.07 -1.26 -1.07 120.64 119.73 2vwv n GLU 609 Ca -0.00 0.74 -0.17 0.00 -0.06 0.00 0.00 57.16 57.67 2vwv n GLU 609 Cb 0.07 -2.45 -0.14 0.00 -0.06 0.00 0.00 31.44 28.86 2vwv n GLU 609 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 2vwv s ILE 610 N 0.47 0.56 0.16 6.31 2.07 0.71 -4.84 121.20 126.64 2vwv s ILE 610 Ca 0.74 -0.43 -0.30 0.00 -1.41 0.00 0.00 60.65 59.25 2vwv s ILE 610 Cb -0.68 -0.49 -0.08 0.00 0.13 0.00 0.00 42.46 41.33 2vwv s ILE 610 CO 0.43 0.07 1.31 -0.62 -1.91 0.00 0.00 174.94 174.22 2vwv s ASP 611 N -0.40 6.91 0.62 4.50 2.15 -1.26 -4.48 116.67 124.72 2vwv s ASP 611 Ca 0.01 2.33 0.38 0.00 0.43 0.00 0.00 52.55 55.70 2vwv s ASP 611 Cb -0.04 -2.60 2.09 0.00 -0.30 0.00 0.00 42.92 42.07 2vwv s ASP 611 CO -0.00 -0.54 2.28 1.62 -0.17 0.00 0.00 175.17 178.36 2vwv h VAL 612 N 3.94 0.18 0.00 1.11 3.04 -1.96 -1.83 116.25 120.74 2vwv h VAL 612 Ca -0.44 -0.11 -0.01 0.00 -1.01 0.00 0.00 66.70 65.13 2vwv h VAL 612 Cb 1.21 1.09 -0.00 0.00 -2.01 0.00 0.00 31.29 31.58 2vwv h VAL 612 CO 0.80 0.01 -0.04 0.77 -1.01 0.00 0.00 177.57 178.10 2vwv h SER 613 N 0.00 0.00 -0.16 3.17 4.64 -2.00 -1.73 113.55 117.47 2vwv h SER 613 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2vwv h SER 613 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2vwv h SER 613 CO 0.00 0.04 0.00 -1.22 -0.87 0.00 0.00 176.83 174.78 2vwv n TYR 614 N -3.39 0.21 -4.13 4.77 4.01 -0.69 -4.83 117.16 113.12 2vwv n TYR 614 Ca -0.02 -0.11 -0.34 0.00 -0.16 0.00 0.00 57.90 57.27 2vwv n TYR 614 Cb 0.17 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.05 2vwv n TYR 614 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2vwv s VAL 615 N -1.79 2.94 -0.34 -0.72 1.01 -0.65 -1.25 120.40 119.60 2vwv s VAL 615 Ca 0.24 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 2vwv s VAL 615 Cb 0.12 -2.29 0.04 0.00 0.00 0.00 0.00 36.38 34.25 2vwv s VAL 615 CO 0.18 0.47 0.12 -0.75 0.00 0.00 0.00 175.10 175.12 2vwv s LYS 616 N 1.23 2.64 0.02 2.72 2.47 -0.36 -4.99 119.74 123.45 2vwv s LYS 616 Ca 0.03 -1.18 -0.30 0.00 -1.56 0.00 0.00 55.97 52.96 2vwv s LYS 616 Cb -0.14 -3.49 -0.03 0.00 -1.46 0.00 0.00 37.83 32.70 2vwv s LYS 616 CO -0.04 -0.67 0.99 0.42 0.16 0.00 0.00 175.35 176.20 2vwv s ILE 617 N 1.42 4.80 0.00 5.43 1.01 -1.26 -0.56 121.20 132.03 2vwv s ILE 617 Ca -0.01 2.04 0.00 0.00 0.00 0.00 0.00 60.65 62.68 2vwv s ILE 617 Cb -0.20 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 37.97 2vwv s ILE 617 CO 0.03 0.18 0.00 -0.62 0.00 0.00 0.00 174.94 174.53 2vwv n GLU 618 N 3.76 3.35 -1.06 2.79 1.02 0.98 -4.95 120.64 126.53 2vwv n GLU 618 Ca 0.06 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.81 2vwv n GLU 618 Cb 0.51 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.89 2vwv n GLU 618 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2vwv n GLU 619 N 0.00 0.00 -2.50 3.49 2.13 -1.23 -4.51 120.64 118.02 2vwv n GLU 619 Ca 0.00 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.40 2vwv n GLU 619 Cb 0.00 -0.90 -0.03 0.00 0.27 0.00 0.00 31.44 30.78 2vwv n GLU 619 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2vwv s VAL 620 N -0.39 4.30 -0.53 6.31 1.01 -1.26 -0.49 120.40 129.34 2vwv s VAL 620 Ca 0.56 1.64 0.06 0.00 0.00 0.00 0.00 61.98 64.25 2vwv s VAL 620 Cb -0.80 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 31.52 2vwv s VAL 620 CO 0.41 0.08 0.46 2.30 0.00 0.00 0.00 175.10 178.35 2vwv n ILE 621 N 4.20 0.00 -3.85 2.22 -5.35 0.18 -4.89 119.36 111.87 2vwv n ILE 621 Ca 0.09 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 2vwv n ILE 621 Cb 0.47 1.06 0.01 0.00 -1.74 0.00 0.00 39.64 39.44 2vwv n ILE 621 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2vwv s GLY 622 N -1.12 -0.13 -0.13 3.28 0.00 -0.98 -5.01 107.32 103.23 2vwv s GLY 622 Ca 0.05 0.07 0.01 0.00 0.00 0.00 0.00 44.72 44.86 2vwv s GLY 622 CO 0.17 2.87 -0.17 0.00 0.00 0.00 0.00 173.10 175.97 2vwv s ALA 623 N -2.27 1.92 0.41 3.20 0.00 -1.26 -2.24 121.76 121.51 2vwv s ALA 623 Ca 0.22 -0.90 0.08 0.00 0.00 0.00 0.00 51.96 51.36 2vwv s ALA 623 Cb -0.00 -0.96 -0.00 0.00 0.00 0.00 0.00 23.12 22.15 2vwv s ALA 623 CO 0.01 -0.18 0.48 0.20 0.00 0.00 0.00 175.76 176.27 2vwv s GLY 624 N 1.12 1.98 0.19 0.00 0.00 0.48 -4.91 107.32 106.18 2vwv s GLY 624 Ca -0.02 -1.73 -0.13 0.00 0.00 0.00 0.00 44.72 42.84 2vwv s GLY 624 CO -0.05 -1.56 1.69 -2.09 0.00 0.00 0.00 173.10 171.09 2vwv h GLU 625 N 0.83 0.16 -0.56 2.90 4.81 -1.98 -3.04 114.58 117.69 2vwv h GLU 625 Ca -0.41 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 2vwv h GLU 625 Cb 1.27 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2vwv h GLU 625 CO 0.51 0.10 0.00 1.19 -0.73 0.00 0.00 179.01 180.08 2vwv n PHE 626 N -5.19 0.74 -0.35 0.92 3.01 -1.26 -5.07 117.46 110.26 2vwv n PHE 626 Ca 0.06 -0.48 0.00 0.00 1.01 0.00 0.00 57.45 58.04 2vwv n PHE 626 Cb 0.28 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.74 2vwv n PHE 626 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2vwv n GLY 627 N 1.20 0.48 3.83 1.37 0.00 -1.15 -4.43 105.19 106.48 2vwv n GLY 627 Ca 0.19 -1.49 -0.33 0.00 0.00 0.00 0.00 46.02 44.39 2vwv n GLY 627 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vwv s GLU 628 N -2.00 4.15 -0.12 1.61 2.02 -1.25 0.18 118.70 123.29 2vwv s GLU 628 Ca 0.00 0.89 0.01 0.00 0.02 0.00 0.00 54.97 55.89 2vwv s GLU 628 Cb 0.00 -2.45 -0.01 0.00 0.10 0.00 0.00 34.13 31.78 2vwv s GLU 628 CO 0.00 0.14 -0.17 0.08 0.02 0.00 0.00 175.26 175.33 2vwv s VAL 629 N -1.95 2.64 0.20 2.63 1.01 -0.95 -1.88 120.40 122.10 2vwv s VAL 629 Ca 0.55 -0.80 0.11 0.00 0.00 0.00 0.00 61.98 61.84 2vwv s VAL 629 Cb -0.11 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 2vwv s VAL 629 CO 0.17 0.53 -0.23 0.00 0.00 0.00 0.00 175.10 175.57 2vwv s ARG 631 N -2.72 3.99 0.00 0.00 3.52 0.35 0.53 118.95 124.62 2vwv s ARG 631 Ca 0.21 0.57 0.00 0.00 -0.13 0.00 0.00 55.73 56.38 2vwv s ARG 631 Cb -0.08 -2.64 0.00 0.00 -1.56 0.00 0.00 34.95 30.67 2vwv s ARG 631 CO 0.10 0.29 0.00 0.41 -0.81 0.00 0.00 175.30 175.29 2vwv n GLY 632 N 0.06 1.91 3.10 8.12 0.00 0.29 -0.01 105.19 118.66 2vwv n GLY 632 Ca 0.00 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.21 2vwv n GLY 632 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vwv s ARG 633 N 1.02 0.63 -0.20 1.61 0.52 0.28 -1.38 118.95 121.43 2vwv s ARG 633 Ca 0.00 -0.86 0.01 0.00 -0.52 0.00 0.00 55.73 54.36 2vwv s ARG 633 Cb 0.00 -0.41 0.04 0.00 0.52 0.00 0.00 34.95 35.09 2vwv s ARG 633 CO 0.00 0.08 -0.13 -1.17 0.02 0.00 0.00 175.30 174.10 2vwv s LEU 634 N -1.77 2.37 -0.52 2.53 2.96 0.35 -1.23 118.68 123.37 2vwv s LEU 634 Ca -0.06 -0.88 -0.01 0.00 -0.22 0.00 0.00 54.13 52.97 2vwv s LEU 634 Cb -0.09 -1.33 0.14 0.00 0.50 0.00 0.00 46.19 45.41 2vwv s LEU 634 CO 0.00 -0.11 0.30 -0.54 -1.32 0.00 0.00 176.35 174.68 2vwv s LYS 635 N 1.34 2.19 0.04 1.98 3.01 -0.38 -0.73 119.74 127.18 2vwv s LYS 635 Ca -0.01 -2.29 -0.23 0.00 -1.01 0.00 0.00 55.97 52.44 2vwv s LYS 635 Cb -0.16 -3.56 -0.06 0.00 -1.01 0.00 0.00 37.83 33.04 2vwv s LYS 635 CO -0.09 -1.11 0.69 0.00 0.51 0.00 0.00 175.35 175.35 2vwv s ALA 636 N 0.33 3.43 0.42 5.17 0.00 -1.26 -4.64 121.76 125.21 2vwv s ALA 636 Ca 0.14 0.18 -0.26 0.00 0.00 0.00 0.00 51.96 52.03 2vwv s ALA 636 Cb -0.22 -2.88 -0.09 0.00 0.00 0.00 0.00 23.12 19.93 2vwv s ALA 636 CO -0.03 0.13 1.36 -2.14 0.00 0.00 0.00 175.76 175.08 2vwv s PRO 637 N -0.24 3.85 0.00 0.00 0.02 -1.26 -1.94 135.00 135.44 2vwv s PRO 637 Ca 0.35 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.64 2vwv s PRO 637 Cb -0.20 -2.72 0.00 0.00 0.02 0.00 0.00 34.50 31.61 2vwv s PRO 637 CO 0.21 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 2vwv n GLY 638 N 0.62 2.06 3.80 0.52 0.00 -1.26 -5.01 105.19 105.92 2vwv n GLY 638 Ca 0.04 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 2vwv n GLY 638 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vwv s LYS 639 N 0.00 3.13 0.42 1.61 -2.85 -0.82 -5.02 119.74 116.22 2vwv s LYS 639 Ca 0.00 1.19 -0.24 0.00 -1.00 0.00 0.00 55.97 55.92 2vwv s LYS 639 Cb 0.00 -2.01 -0.08 0.00 -2.06 0.00 0.00 37.83 33.68 2vwv s LYS 639 CO 0.00 -0.96 1.16 0.15 0.10 0.00 0.00 175.35 175.80 2vwv s LYS 640 N -4.27 3.95 0.18 1.78 3.01 -1.26 -4.53 119.74 118.61 2vwv s LYS 640 Ca 0.63 1.80 -0.31 0.00 -1.01 0.00 0.00 55.97 57.08 2vwv s LYS 640 Cb -0.16 -2.57 -0.10 0.00 -1.01 0.00 0.00 37.83 33.99 2vwv s LYS 640 CO 0.41 -0.40 1.50 -2.00 0.51 0.00 0.00 175.35 175.38 2vwv s GLU 641 N -2.45 4.25 0.41 1.68 2.12 -1.26 -4.70 118.70 118.74 2vwv s GLU 641 Ca 0.59 2.30 0.07 0.00 0.36 0.00 0.00 54.97 58.29 2vwv s GLU 641 Cb -0.30 -3.16 -0.08 0.00 0.26 0.00 0.00 34.13 30.86 2vwv s GLU 641 CO 0.37 -0.52 0.03 -1.54 -0.54 0.00 0.00 175.26 173.05 2vwv s SER 642 N 0.90 3.95 -0.17 -1.70 1.04 0.09 -4.94 113.70 112.87 2vwv s SER 642 Ca 0.66 -1.32 -0.11 0.00 0.48 0.00 0.00 55.95 55.66 2vwv s SER 642 Cb -0.42 -0.41 -0.05 0.00 0.10 0.00 0.00 66.02 65.24 2vwv s SER 642 CO 0.35 -0.45 0.20 0.00 0.98 0.00 0.00 173.24 174.32 2vwv s VAL 644 N 0.13 0.87 0.04 0.00 -7.23 -0.48 -1.49 120.40 112.25 2vwv s VAL 644 Ca 0.13 -1.30 -0.16 0.00 -1.81 0.00 0.00 61.98 58.84 2vwv s VAL 644 Cb -0.12 -0.97 -0.06 0.00 0.56 0.00 0.00 36.38 35.79 2vwv s VAL 644 CO 0.01 -0.35 0.48 0.00 -0.31 0.00 0.00 175.10 174.93 2vwv s ALA 645 N -1.57 3.65 -0.17 1.32 0.00 -0.32 -0.55 121.76 124.12 2vwv s ALA 645 Ca -0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 51.96 51.81 2vwv s ALA 645 Cb -0.08 -2.49 0.04 0.00 0.00 0.00 0.00 23.12 20.59 2vwv s ALA 645 CO 0.01 0.45 -0.06 0.42 0.00 0.00 0.00 175.76 176.58 2vwv s ILE 646 N -1.13 1.14 -0.08 0.00 1.01 0.19 -1.26 121.20 121.07 2vwv s ILE 646 Ca 0.27 -0.64 -0.14 0.00 0.00 0.00 0.00 60.65 60.14 2vwv s ILE 646 Cb -0.18 -1.30 -0.05 0.00 0.01 0.00 0.00 42.46 40.94 2vwv s ILE 646 CO 0.16 0.15 0.36 -0.54 0.00 0.00 0.00 174.94 175.07 2vwv s LYS 647 N 1.62 4.05 0.01 2.79 1.02 -0.17 0.15 119.74 129.21 2vwv s LYS 647 Ca 0.01 0.28 0.08 0.00 0.02 0.00 0.00 55.97 56.36 2vwv s LYS 647 Cb -0.15 -3.32 -0.02 0.00 -0.52 0.00 0.00 37.83 33.82 2vwv s LYS 647 CO -0.08 0.47 -0.25 0.95 -0.92 0.00 0.00 175.35 175.52 2vwv s THR 648 N -0.30 1.99 0.00 2.17 -4.23 -0.79 -0.96 115.64 113.53 2vwv s THR 648 Ca 0.21 -1.20 0.00 0.00 -1.18 0.00 0.00 61.69 59.52 2vwv s THR 648 Cb -0.15 -1.68 0.00 0.00 1.34 0.00 0.00 72.50 72.01 2vwv s THR 648 CO 0.09 0.44 0.00 -0.11 -0.54 0.00 0.00 174.62 174.50 2vwv n LEU 649 N 2.14 0.00 0.00 4.79 7.94 -0.29 -3.78 117.00 127.80 2vwv n LEU 649 Ca -0.16 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.74 2vwv n LEU 649 Cb 0.52 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.47 2vwv n LEU 649 CO 0.23 -0.14 0.00 0.35 -1.11 0.00 0.00 177.39 176.72 2vwv n THR 654 N -0.35 0.00 -0.10 1.96 -2.24 -1.26 -4.18 114.28 108.11 2vwv n THR 654 Ca 0.00 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 2vwv n THR 654 Cb 0.00 0.00 0.30 0.00 -2.10 0.00 0.00 70.33 68.53 2vwv n THR 654 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2vwv h GLU 655 N 0.00 0.74 -0.35 -0.78 4.39 -2.05 -1.82 114.58 114.71 2vwv h GLU 655 Ca 0.00 -0.08 0.06 0.00 0.34 0.00 0.00 59.36 59.68 2vwv h GLU 655 Cb 0.00 -0.15 -0.09 0.00 -0.10 0.00 0.00 28.75 28.42 2vwv h GLU 655 CO 0.00 0.57 -0.43 0.00 -1.16 0.00 0.00 179.01 177.99 2vwv h ARG 656 N 0.74 -0.35 -0.63 2.33 -0.00 -2.05 0.14 114.38 114.57 2vwv h ARG 656 Ca 0.19 0.02 -0.05 0.00 -0.50 0.00 0.00 59.98 59.65 2vwv h ARG 656 Cb 0.07 0.08 -0.03 0.00 0.00 0.00 0.00 29.97 30.09 2vwv h ARG 656 CO -0.03 -0.23 0.21 1.96 0.00 0.00 0.00 179.97 181.88 2vwv h GLN 657 N -0.36 0.95 0.14 0.04 4.20 -1.91 -1.26 115.11 116.91 2vwv h GLN 657 Ca 0.12 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2vwv h GLN 657 Cb 0.59 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.22 2vwv h GLN 657 CO -0.54 0.81 -0.07 -0.09 -0.67 0.00 0.00 178.83 178.27 2vwv h ARG 658 N 0.93 -0.18 -0.99 1.46 2.43 -0.86 0.48 114.38 117.65 2vwv h ARG 658 Ca 0.21 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.44 2vwv h ARG 658 Cb 0.25 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.78 2vwv h ARG 658 CO -0.01 -0.11 0.65 0.00 -1.51 0.00 0.00 179.97 178.99 2vwv h ARG 659 N -0.20 1.20 0.26 0.20 3.08 -0.40 -1.93 114.38 116.59 2vwv h ARG 659 Ca -0.02 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 2vwv h ARG 659 Cb 0.15 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 29.94 2vwv h ARG 659 CO 0.03 0.79 -0.12 1.05 -1.07 0.00 0.00 179.97 180.65 2vwv h GLU 660 N 1.24 -0.33 -0.63 0.04 9.09 -1.09 -1.71 114.58 121.18 2vwv h GLU 660 Ca 0.40 0.02 0.13 0.00 0.05 0.00 0.00 59.36 59.96 2vwv h GLU 660 Cb 0.04 0.08 -0.12 0.00 -1.65 0.00 0.00 28.75 27.10 2vwv h GLU 660 CO -0.13 -0.03 -0.17 0.35 0.05 0.00 0.00 179.01 179.08 2vwv h PHE 661 N -0.66 -0.38 0.00 2.06 3.57 -0.62 -0.78 116.94 120.13 2vwv h PHE 661 Ca -0.04 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2vwv h PHE 661 Cb 0.46 0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.47 2vwv h PHE 661 CO 0.02 -0.28 0.00 -0.07 -2.23 0.00 0.00 178.31 175.75 2vwv h LEU 662 N -0.02 0.00 -1.08 0.59 3.38 -1.35 -3.26 115.31 113.58 2vwv h LEU 662 Ca 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 2vwv h LEU 662 Cb 0.47 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 2vwv h LEU 662 CO -0.65 0.00 0.42 0.77 0.09 0.00 0.00 178.44 179.07 2vwv h SER 663 N 0.00 0.95 -0.20 -0.43 4.64 -0.16 -1.82 113.55 116.53 2vwv h SER 663 Ca 0.00 -0.08 0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2vwv h SER 663 Cb 0.59 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 2vwv h SER 663 CO 0.00 0.76 0.14 1.05 -0.87 0.00 0.00 176.83 177.91 2vwv h GLU 664 N 1.07 0.10 -0.36 4.77 4.11 -1.65 0.32 114.58 122.92 2vwv h GLU 664 Ca 0.27 -0.01 -0.13 0.00 0.07 0.00 0.00 59.36 59.56 2vwv h GLU 664 Cb 0.02 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2vwv h GLU 664 CO -0.04 0.06 -0.30 0.00 0.07 0.00 0.00 179.01 178.80 2vwv h ALA 665 N 1.89 0.78 -0.47 1.06 0.00 -1.56 0.98 119.26 121.95 2vwv h ALA 665 Ca 0.09 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 2vwv h ALA 665 Cb 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2vwv h ALA 665 CO -0.01 0.65 -0.23 0.66 0.00 0.00 0.00 179.25 180.32 2vwv h SER 666 N 0.67 1.02 0.14 0.00 4.64 -0.66 0.51 113.55 119.87 2vwv h SER 666 Ca 0.08 -0.40 -0.01 0.00 -0.47 0.00 0.00 61.79 60.99 2vwv h SER 666 Cb 0.83 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2vwv h SER 666 CO 0.07 1.19 -0.07 0.40 -0.87 0.00 0.00 176.83 177.55 2vwv h ILE 667 N 0.84 1.01 -0.15 0.95 2.04 -1.06 -3.21 117.51 117.92 2vwv h ILE 667 Ca 0.11 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 2vwv h ILE 667 Cb 0.81 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 2vwv h ILE 667 CO 0.07 0.21 0.06 -0.03 0.00 0.00 0.00 178.15 178.46 2vwv h MET 668 N -0.67 0.21 0.00 2.37 4.05 -0.82 -2.11 114.93 117.96 2vwv h MET 668 Ca -0.02 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.38 2vwv h MET 668 Cb 0.50 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.25 2vwv h MET 668 CO 0.03 0.18 -0.01 0.78 0.23 0.00 0.00 176.91 178.13 2vwv h GLY 669 N 0.32 0.00 2.00 1.39 0.00 -0.89 -2.69 103.07 103.21 2vwv h GLY 669 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.33 2vwv h GLY 669 CO -0.01 0.00 -0.27 1.46 0.00 0.00 0.00 176.54 177.73 2vwv h GLN 670 N 0.00 0.00 -5.85 4.80 4.20 -1.44 -3.46 115.11 113.35 2vwv h GLN 670 Ca -0.00 0.00 -0.66 0.00 0.06 0.00 0.00 58.65 58.05 2vwv h GLN 670 Cb 0.08 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.77 2vwv h GLN 670 CO 0.00 0.27 -0.53 -0.06 -0.67 0.00 0.00 178.83 177.83 2vwv s PHE 671 N -3.55 3.43 -0.23 2.96 2.99 -1.01 -5.08 117.98 117.49 2vwv s PHE 671 Ca 0.01 0.33 -0.04 0.00 0.00 0.00 0.00 56.93 57.23 2vwv s PHE 671 Cb 0.10 -1.82 0.09 0.00 0.00 0.00 0.00 43.02 41.39 2vwv s PHE 671 CO 0.66 0.62 0.17 -2.00 -0.00 0.00 0.00 175.22 174.67 2vwv s GLU 672 N -1.52 0.17 -0.25 0.44 2.12 -1.26 -4.86 118.70 113.54 2vwv s GLU 672 Ca 0.21 -0.10 -0.26 0.00 0.36 0.00 0.00 54.97 55.18 2vwv s GLU 672 Cb -0.12 -1.30 0.08 0.00 0.26 0.00 0.00 34.13 33.05 2vwv s GLU 672 CO 0.11 -0.80 0.76 -1.58 -0.54 0.00 0.00 175.26 173.22 2vwv s HIS 673 N 2.22 -0.73 0.24 5.30 2.46 -1.26 -5.05 115.29 118.47 2vwv s HIS 673 Ca 0.06 1.73 0.35 0.00 0.47 0.00 0.00 55.06 57.68 2vwv s HIS 673 Cb -0.16 0.30 1.79 0.00 -0.13 0.00 0.00 32.58 34.38 2vwv s HIS 673 CO -0.20 -0.38 2.07 -1.00 -2.47 0.00 0.00 174.74 172.76 2vwv h PRO 674 N 4.67 0.00 -0.42 2.88 0.13 -1.99 -1.85 132.00 135.42 2vwv h PRO 674 Ca -0.29 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.75 2vwv h PRO 674 Cb 1.16 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 2vwv h PRO 674 CO 0.09 0.00 0.06 0.09 -0.23 0.00 0.00 178.00 178.01 2vwv n ASN 675 N -2.83 3.96 -4.04 1.44 3.02 -1.26 -4.79 115.26 110.77 2vwv n ASN 675 Ca -0.01 -3.22 -0.25 0.00 -0.03 0.00 0.00 54.58 51.07 2vwv n ASN 675 Cb 0.13 -0.62 -0.17 0.00 -0.61 0.00 0.00 39.78 38.51 2vwv n ASN 675 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2vwv s ILE 676 N -2.95 1.22 0.32 2.41 -1.09 -0.70 -0.94 121.20 119.46 2vwv s ILE 676 Ca 0.47 -0.53 -0.29 0.00 -2.23 0.00 0.00 60.65 58.07 2vwv s ILE 676 Cb 0.38 -1.11 -0.11 0.00 -1.58 0.00 0.00 42.46 40.04 2vwv s ILE 676 CO 0.09 0.38 1.57 0.00 -1.23 0.00 0.00 174.94 175.74 2vwv n ILE 677 N 3.82 1.29 -3.32 2.92 0.13 -0.36 -4.53 119.36 119.32 2vwv n ILE 677 Ca -0.22 -0.32 -0.38 0.00 -1.10 0.00 0.00 62.75 60.72 2vwv n ILE 677 Cb 0.52 -1.97 -0.06 0.00 -0.84 0.00 0.00 39.64 37.29 2vwv n ILE 677 CO 0.00 0.00 0.00 -0.60 2.80 0.00 0.00 176.55 178.75 2vwv s ARG 678 N -0.95 4.28 -0.34 9.51 3.52 -1.26 -4.99 118.95 128.72 2vwv s ARG 678 Ca 0.61 0.49 -0.29 0.00 -0.13 0.00 0.00 55.73 56.41 2vwv s ARG 678 Cb -0.49 -3.39 0.01 0.00 -1.56 0.00 0.00 34.95 29.52 2vwv s ARG 678 CO 0.53 0.26 1.25 -1.17 -0.81 0.00 0.00 175.30 175.35 2vwv s LEU 679 N 0.28 3.82 0.16 -0.88 2.96 -1.26 -1.74 118.68 122.02 2vwv s LEU 679 Ca 0.26 1.02 0.19 0.00 -0.22 0.00 0.00 54.13 55.39 2vwv s LEU 679 Cb -0.16 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 2vwv s LEU 679 CO 0.12 -1.11 1.01 -0.33 -1.32 0.00 0.00 176.35 174.72 2vwv h GLU 680 N 9.22 0.00 0.00 1.98 4.39 -1.25 -3.48 114.58 125.45 2vwv h GLU 680 Ca -0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.45 2vwv h GLU 680 Cb 1.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 2vwv h GLU 680 CO 1.05 0.17 0.00 0.41 -1.16 0.00 0.00 179.01 179.48 2vwv n GLY 681 N 1.28 1.54 3.21 -3.84 0.00 -0.92 -4.97 105.19 101.47 2vwv n GLY 681 Ca -0.04 -0.73 -0.18 0.00 0.00 0.00 0.00 46.02 45.07 2vwv n GLY 681 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2vwv s VAL 682 N -2.00 1.22 -0.23 1.61 -7.23 -0.23 -0.09 120.40 113.44 2vwv s VAL 682 Ca 0.00 -1.52 0.02 0.00 -1.81 0.00 0.00 61.98 58.67 2vwv s VAL 682 Cb 0.00 -1.31 0.05 0.00 0.56 0.00 0.00 36.38 35.68 2vwv s VAL 682 CO 0.00 -0.33 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.68 2vwv s VAL 683 N -1.73 1.84 0.00 1.32 1.01 -0.49 -0.20 120.40 122.14 2vwv s VAL 683 Ca 0.04 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 60.71 2vwv s VAL 683 Cb -0.07 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.35 2vwv s VAL 683 CO 0.02 0.04 0.06 0.35 0.00 0.00 0.00 175.10 175.57 2vwv n THR 684 N 4.58 0.00 0.91 3.92 -2.24 -1.26 -1.49 114.28 118.70 2vwv n THR 684 Ca -0.14 -0.26 0.13 0.00 -2.27 0.00 0.00 64.05 61.51 2vwv n THR 684 Cb 0.44 1.11 0.35 0.00 -2.10 0.00 0.00 70.33 70.13 2vwv n THR 684 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2vwv n ASN 685 N -0.40 0.41 -3.47 3.42 5.03 -1.26 -4.96 115.26 114.02 2vwv n ASN 685 Ca 0.00 0.07 -0.13 0.00 0.87 0.00 0.00 54.58 55.39 2vwv n ASN 685 Cb 0.03 -0.04 -0.05 0.00 -1.02 0.00 0.00 39.78 38.70 2vwv n ASN 685 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2vwv s SER 686 N -3.28 0.66 -0.04 6.41 1.04 -1.26 -5.17 113.70 112.06 2vwv s SER 686 Ca 0.11 -1.37 0.02 0.00 0.48 0.00 0.00 55.95 55.19 2vwv s SER 686 Cb 0.17 0.62 -0.03 0.00 0.10 0.00 0.00 66.02 66.88 2vwv s SER 686 CO 0.65 -1.23 -0.08 -0.04 0.98 0.00 0.00 173.24 173.52 2vwv s MET 687 N -3.34 2.64 0.57 4.02 -1.94 -1.26 -3.48 119.30 116.51 2vwv s MET 687 Ca 0.30 -0.63 -0.18 0.00 -1.71 0.00 0.00 55.69 53.47 2vwv s MET 687 Cb 0.00 -2.53 -0.05 0.00 2.01 0.00 0.00 34.83 34.27 2vwv s MET 687 CO 0.17 0.64 1.08 -1.25 -0.01 0.00 0.00 175.02 175.66 2vwv s PRO 688 N -1.01 3.33 0.35 2.03 0.04 -1.26 -5.13 135.00 133.34 2vwv s PRO 688 Ca 0.14 1.39 -0.27 0.00 0.04 0.00 0.00 61.00 62.30 2vwv s PRO 688 Cb -0.11 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 2vwv s PRO 688 CO 0.03 -0.83 1.16 0.08 0.04 0.00 0.00 177.00 177.48 2vwv s VAL 689 N -2.14 3.23 0.04 -0.36 1.01 -1.23 -4.86 120.40 116.10 2vwv s VAL 689 Ca 0.68 1.13 0.01 0.00 0.00 0.00 0.00 61.98 63.80 2vwv s VAL 689 Cb -0.19 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 2vwv s VAL 689 CO 0.31 0.19 -0.05 -0.04 0.00 0.00 0.00 175.10 175.52 2vwv s MET 690 N -1.92 0.46 -0.13 2.72 -1.94 -0.55 -1.14 119.30 116.79 2vwv s MET 690 Ca 0.51 -0.81 0.01 0.00 -1.71 0.00 0.00 55.69 53.70 2vwv s MET 690 Cb -0.32 -0.00 0.02 0.00 2.01 0.00 0.00 34.83 36.54 2vwv s MET 690 CO 0.41 -0.03 -0.16 0.42 -0.01 0.00 0.00 175.02 175.65 2vwv s ILE 691 N -2.02 1.61 -0.19 2.53 1.01 -0.13 -1.40 121.20 122.61 2vwv s ILE 691 Ca -0.08 -0.68 -0.04 0.00 0.00 0.00 0.00 60.65 59.84 2vwv s ILE 691 Cb -0.06 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.91 2vwv s ILE 691 CO -0.02 0.46 -0.03 -0.76 0.00 0.00 0.00 174.94 174.59 2vwv s LEU 692 N 1.22 3.10 0.20 2.97 1.02 0.87 -1.00 118.68 127.06 2vwv s LEU 692 Ca -0.01 -0.26 0.11 0.00 0.02 0.00 0.00 54.13 53.99 2vwv s LEU 692 Cb -0.14 -1.78 -0.04 0.00 0.02 0.00 0.00 46.19 44.25 2vwv s LEU 692 CO -0.06 0.06 -0.18 0.42 0.02 0.00 0.00 176.35 176.62 2vwv s THR 693 N 0.98 2.70 0.24 5.49 -4.23 -0.39 -0.73 115.64 119.71 2vwv s THR 693 Ca 0.01 -1.94 -0.31 0.00 -1.18 0.00 0.00 61.69 58.27 2vwv s THR 693 Cb -0.15 -2.33 -0.14 0.00 1.34 0.00 0.00 72.50 71.22 2vwv s THR 693 CO 0.01 -0.16 1.32 -1.84 -0.54 0.00 0.00 174.62 173.41 2vwv n GLU 694 N 0.04 1.83 -2.69 3.99 0.28 -0.71 -1.18 120.64 122.20 2vwv n GLU 694 Ca -0.11 0.65 -0.42 0.00 -0.16 0.00 0.00 57.16 57.12 2vwv n GLU 694 Cb 0.56 -2.25 -0.03 0.00 1.43 0.00 0.00 31.44 31.16 2vwv n GLU 694 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 2vwv s PHE 695 N -0.25 3.61 -0.34 -1.84 5.36 -0.56 -4.54 117.98 119.42 2vwv s PHE 695 Ca 0.67 1.65 -0.08 0.00 -0.96 0.00 0.00 56.93 58.22 2vwv s PHE 695 Cb -0.68 -3.15 0.03 0.00 -0.34 0.00 0.00 43.02 38.87 2vwv s PHE 695 CO 0.52 -0.13 0.13 -1.64 -1.46 0.00 0.00 175.22 172.64 2vwv s MET 696 N 1.24 2.77 0.43 10.12 -1.94 -1.26 -4.95 119.30 125.71 2vwv s MET 696 Ca 0.52 -1.09 0.20 0.00 -1.71 0.00 0.00 55.69 53.60 2vwv s MET 696 Cb -0.21 -3.53 1.00 0.00 2.01 0.00 0.00 34.83 34.10 2vwv s MET 696 CO 0.26 -0.64 1.90 0.93 -0.01 0.00 0.00 175.02 177.47 2vwv h GLU 697 N 8.29 0.00 -0.42 2.03 3.07 -1.87 -3.02 114.58 122.66 2vwv h GLU 697 Ca -0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 2vwv h GLU 697 Cb 1.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 2vwv h GLU 697 CO 0.62 0.26 0.00 0.09 -1.40 0.00 0.00 179.01 178.58 2vwv n ASN 698 N -3.80 3.40 0.00 1.42 3.02 0.03 -4.97 115.26 114.36 2vwv n ASN 698 Ca -0.01 -1.98 0.00 0.00 -0.03 0.00 0.00 54.58 52.56 2vwv n ASN 698 Cb 0.36 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 2vwv n ASN 698 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vwv n GLY 699 N 1.50 1.55 3.74 7.41 0.00 -1.14 -4.54 105.19 113.71 2vwv n GLY 699 Ca 0.20 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 2vwv n GLY 699 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vwv s ALA 700 N -1.88 3.31 0.25 4.61 0.00 -1.26 -1.03 121.76 125.75 2vwv s ALA 700 Ca 0.00 0.55 -0.06 0.00 0.00 0.00 0.00 51.96 52.45 2vwv s ALA 700 Cb 0.00 -3.20 0.30 0.00 0.00 0.00 0.00 23.12 20.22 2vwv s ALA 700 CO 0.00 0.11 1.89 1.25 0.00 0.00 0.00 175.76 179.01 2vwv h LEU 701 N 4.88 1.00 -0.14 0.00 5.85 -0.85 -1.27 115.31 124.79 2vwv h LEU 701 Ca -0.44 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 2vwv h LEU 701 Cb 1.21 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 2vwv h LEU 701 CO 0.70 0.69 0.05 -2.24 -0.34 0.00 0.00 178.44 177.29 2vwv h ASP 702 N 1.17 0.20 0.03 1.25 2.03 -1.83 -0.68 116.42 118.58 2vwv h ASP 702 Ca 0.37 -0.18 -0.15 0.00 -0.73 0.00 0.00 57.03 56.34 2vwv h ASP 702 Cb 0.01 -0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 38.45 2vwv h ASP 702 CO -0.12 0.33 -0.51 0.77 -1.03 0.00 0.00 179.24 178.67 2vwv h SER 703 N 0.07 0.59 -0.82 4.15 4.64 -1.88 -1.62 113.55 118.68 2vwv h SER 703 Ca 0.05 -0.30 0.04 0.00 -0.47 0.00 0.00 61.79 61.10 2vwv h SER 703 Cb 0.19 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 62.06 2vwv h SER 703 CO -0.00 1.00 0.53 0.15 -0.87 0.00 0.00 176.83 177.63 2vwv h PHE 704 N 0.42 0.99 -0.18 4.77 3.57 -1.15 -1.42 116.94 123.93 2vwv h PHE 704 Ca 0.02 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.37 2vwv h PHE 704 Cb 1.04 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 2vwv h PHE 704 CO 0.04 0.56 -0.59 -0.07 -2.23 0.00 0.00 178.31 176.02 2vwv h LEU 705 N 1.02 0.65 -0.86 0.59 3.38 -0.96 -2.70 115.31 116.43 2vwv h LEU 705 Ca 0.33 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.98 2vwv h LEU 705 Cb 0.02 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 2vwv h LEU 705 CO -0.12 1.09 0.55 0.03 0.09 0.00 0.00 178.44 180.08 2vwv h ARG 706 N 0.43 1.01 0.00 1.13 3.08 -0.93 -0.30 114.38 118.80 2vwv h ARG 706 Ca -0.00 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 2vwv h ARG 706 Cb 1.15 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.97 2vwv h ARG 706 CO 0.11 0.67 -0.02 1.25 -1.07 0.00 0.00 179.97 180.90 2vwv h LEU 707 N 1.04 0.00 -3.35 3.04 5.85 -1.14 -3.15 115.31 117.60 2vwv h LEU 707 Ca 0.35 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.83 2vwv h LEU 707 Cb 0.06 0.00 -0.19 0.00 0.37 0.00 0.00 40.66 40.90 2vwv h LEU 707 CO -0.13 0.02 -0.57 0.59 -0.34 0.00 0.00 178.44 178.01 2vwv n ASN 708 N -4.13 3.17 -4.68 1.25 3.02 -0.24 -5.06 115.26 108.59 2vwv n ASN 708 Ca -0.03 -3.84 -0.43 0.00 -0.03 0.00 0.00 54.58 50.25 2vwv n ASN 708 Cb 0.11 -0.47 -0.03 0.00 -0.61 0.00 0.00 39.78 38.78 2vwv n ASN 708 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2vwv n ASP 709 N -0.95 3.97 0.00 6.41 -0.08 -0.51 -1.08 116.55 124.31 2vwv n ASP 709 Ca 0.31 0.97 0.00 0.00 -1.51 0.00 0.00 54.79 54.56 2vwv n ASP 709 Cb 0.83 -1.52 0.00 0.00 2.34 0.00 0.00 41.12 42.77 2vwv n ASP 709 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2vwv n GLY 710 N 4.30 0.64 0.45 0.27 0.00 -1.26 -4.89 105.19 104.69 2vwv n GLY 710 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 2vwv n GLY 710 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2vwv n GLN 711 N -2.07 1.59 -4.42 1.61 6.02 -0.24 -4.89 117.38 114.99 2vwv n GLN 711 Ca 0.00 -0.98 -0.32 0.00 -0.01 0.00 0.00 57.00 55.69 2vwv n GLN 711 Cb 0.04 -1.31 -0.10 0.00 1.02 0.00 0.00 30.24 29.89 2vwv n GLN 711 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2vwv s PHE 712 N -1.87 2.89 0.77 1.08 2.99 -1.26 -5.12 117.98 117.46 2vwv s PHE 712 Ca 0.15 -0.04 -0.11 0.00 0.00 0.00 0.00 56.93 56.93 2vwv s PHE 712 Cb 0.14 -1.59 0.05 0.00 0.00 0.00 0.00 43.02 41.62 2vwv s PHE 712 CO 0.38 0.39 1.08 0.95 -0.00 0.00 0.00 175.22 178.02 2vwv s THR 713 N -1.03 3.40 0.26 0.64 -4.23 -1.26 -4.85 115.64 108.57 2vwv s THR 713 Ca 0.18 0.46 -0.02 0.00 -1.18 0.00 0.00 61.69 61.12 2vwv s THR 713 Cb -0.11 -3.07 0.26 0.00 1.34 0.00 0.00 72.50 70.92 2vwv s THR 713 CO 0.09 -0.59 1.86 0.58 -0.54 0.00 0.00 174.62 176.02 2vwv h VAL 714 N -1.06 1.04 -0.87 2.29 2.07 -1.97 -1.53 116.25 116.22 2vwv h VAL 714 Ca -0.45 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 66.71 2vwv h VAL 714 Cb 1.24 -0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 2vwv h VAL 714 CO 0.55 0.20 0.57 0.40 0.02 0.00 0.00 177.57 179.31 2vwv h ILE 715 N 1.09 1.20 -0.46 4.57 1.08 -1.92 -0.69 117.51 122.39 2vwv h ILE 715 Ca 0.44 -0.40 -0.06 0.00 -0.39 0.00 0.00 64.86 64.45 2vwv h ILE 715 Cb 0.25 -0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 33.93 2vwv h ILE 715 CO -0.20 0.21 0.03 1.56 -0.69 0.00 0.00 178.15 179.07 2vwv h GLN 716 N 1.15 0.78 -0.63 2.37 4.20 -1.71 -1.54 115.11 119.73 2vwv h GLN 716 Ca 0.32 -0.23 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 2vwv h GLN 716 Cb -0.10 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 2vwv h GLN 716 CO -0.08 0.82 0.17 -0.07 -0.67 0.00 0.00 178.83 179.00 2vwv h LEU 717 N 0.64 0.94 -0.80 1.46 3.38 -0.98 -1.70 115.31 118.25 2vwv h LEU 717 Ca 0.13 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2vwv h LEU 717 Cb 0.45 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2vwv h LEU 717 CO 0.02 0.92 0.26 0.58 0.09 0.00 0.00 178.44 180.30 2vwv h VAL 718 N 0.92 1.26 -1.00 1.22 2.07 -1.02 -0.89 116.25 118.80 2vwv h VAL 718 Ca 0.20 -0.88 0.05 0.00 0.82 0.00 0.00 66.70 66.89 2vwv h VAL 718 Cb 0.33 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 2vwv h VAL 718 CO -0.00 0.35 0.66 1.23 0.02 0.00 0.00 177.57 179.82 2vwv h GLY 719 N 1.13 1.48 0.89 2.17 0.00 -0.88 0.32 103.07 108.18 2vwv h GLY 719 Ca 0.25 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 2vwv h GLY 719 CO -0.01 0.40 0.08 -0.33 0.00 0.00 0.00 176.54 176.69 2vwv h MET 720 N 1.25 0.35 -0.52 4.80 2.07 -0.80 -1.63 114.93 120.45 2vwv h MET 720 Ca 0.41 -0.07 -0.04 0.00 -2.07 0.00 0.00 59.70 57.93 2vwv h MET 720 Cb 0.05 -0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 29.70 2vwv h MET 720 CO -0.14 0.41 0.14 -0.07 1.07 0.00 0.00 176.91 178.33 2vwv h LEU 721 N 0.21 0.72 -0.61 1.22 3.38 -0.65 -1.40 115.31 118.18 2vwv h LEU 721 Ca 0.08 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 2vwv h LEU 721 Cb 0.20 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2vwv h LEU 721 CO -0.00 0.69 -0.06 -0.09 0.09 0.00 0.00 178.44 179.07 2vwv h ARG 722 N 0.75 1.03 -0.28 1.13 2.43 -0.27 -0.59 114.38 118.58 2vwv h ARG 722 Ca 0.17 -0.35 0.04 0.00 -0.81 0.00 0.00 59.98 59.03 2vwv h ARG 722 Cb 0.25 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 2vwv h ARG 722 CO -0.01 1.04 0.05 0.78 -1.51 0.00 0.00 179.97 180.33 2vwv h GLY 723 N 0.97 0.32 1.05 2.80 0.00 -0.84 0.15 103.07 107.52 2vwv h GLY 723 Ca 0.16 -0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.40 2vwv h GLY 723 CO 0.04 -0.01 0.19 -2.22 0.00 0.00 0.00 176.54 174.54 2vwv h ILE 724 N 0.16 1.26 -0.33 2.60 2.04 -1.05 -1.73 117.51 120.46 2vwv h ILE 724 Ca 0.13 -0.93 -0.10 0.00 1.00 0.00 0.00 64.86 64.96 2vwv h ILE 724 Cb 0.13 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 2vwv h ILE 724 CO -0.17 0.36 -0.20 0.00 0.00 0.00 0.00 178.15 178.14 2vwv h ALA 725 N 1.09 1.04 -0.31 1.87 0.00 -0.70 -1.25 119.26 121.01 2vwv h ALA 725 Ca 0.22 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2vwv h ALA 725 Cb 0.34 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2vwv h ALA 725 CO -0.00 0.58 0.10 1.03 0.00 0.00 0.00 179.25 180.95 2vwv h SER 726 N 0.55 0.45 -0.60 0.00 0.87 -0.42 0.91 113.55 115.31 2vwv h SER 726 Ca 0.09 -0.21 0.11 0.00 -1.23 0.00 0.00 61.79 60.55 2vwv h SER 726 Cb 0.64 -0.12 -0.08 0.00 -0.44 0.00 0.00 62.40 62.40 2vwv h SER 726 CO 0.05 0.54 0.17 1.23 -0.53 0.00 0.00 176.83 178.29 2vwv h GLY 727 N 0.35 0.81 1.03 5.77 0.00 -1.02 -1.23 103.07 108.77 2vwv h GLY 727 Ca 0.10 -0.07 -0.12 0.00 0.00 0.00 0.00 47.33 47.24 2vwv h GLY 727 CO -0.00 -0.08 -0.22 -0.33 0.00 0.00 0.00 176.54 175.91 2vwv h MET 728 N 0.32 0.83 -0.80 4.80 2.86 -1.03 -1.34 114.93 120.56 2vwv h MET 728 Ca 0.31 -0.38 0.14 0.00 -2.06 0.00 0.00 59.70 57.72 2vwv h MET 728 Cb 0.44 -0.01 -0.09 0.00 0.06 0.00 0.00 31.60 31.99 2vwv h MET 728 CO -0.36 1.01 0.37 -0.09 1.06 0.00 0.00 176.91 178.90 2vwv h ARG 729 N 0.63 0.53 -0.16 1.72 2.43 -0.55 0.16 114.38 119.13 2vwv h ARG 729 Ca 0.08 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2vwv h ARG 729 Cb 0.79 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 2vwv h ARG 729 CO 0.06 0.35 0.07 -0.92 -1.51 0.00 0.00 179.97 178.02 2vwv h TYR 730 N 0.54 0.24 -0.28 2.20 3.20 -0.90 -1.26 116.97 120.71 2vwv h TYR 730 Ca 0.44 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.28 2vwv h TYR 730 Cb 0.63 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 2vwv h TYR 730 CO -0.12 0.29 0.13 -0.07 -1.64 0.00 0.00 178.16 176.75 2vwv h LEU 731 N 0.12 0.37 -0.96 2.82 3.38 -0.41 -1.26 115.31 119.37 2vwv h LEU 731 Ca 0.05 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2vwv h LEU 731 Cb 0.15 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 2vwv h LEU 731 CO -0.01 0.40 0.59 0.00 0.09 0.00 0.00 178.44 179.52 2vwv h ALA 732 N 0.98 1.23 -0.56 1.53 0.00 -0.73 -0.38 119.26 121.32 2vwv h ALA 732 Ca 0.09 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2vwv h ALA 732 Cb 0.14 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2vwv h ALA 732 CO -0.01 0.67 0.37 1.49 0.00 0.00 0.00 179.25 181.77 2vwv h GLU 733 N 1.33 0.74 -0.63 0.00 4.57 -0.76 -0.84 114.58 118.98 2vwv h GLU 733 Ca 0.35 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 2vwv h GLU 733 Cb -0.08 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.34 2vwv h GLU 733 CO -0.07 0.49 0.00 -1.33 -1.18 0.00 0.00 179.01 176.92 2vwv n MET 734 N -4.45 2.18 -4.17 1.92 2.81 -0.52 -4.92 117.12 109.97 2vwv n MET 734 Ca 0.05 -1.13 -0.35 0.00 -1.81 0.00 0.00 57.70 54.46 2vwv n MET 734 Cb 0.05 -1.58 -0.02 0.00 -0.71 0.00 0.00 33.22 30.96 2vwv n MET 734 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2vwv n SER 735 N 0.27 -3.59 -4.48 7.83 7.64 -0.32 -4.98 113.62 116.00 2vwv n SER 735 Ca 0.10 -0.97 -0.34 0.00 1.01 0.00 0.00 58.87 58.67 2vwv n SER 735 Cb 0.47 -2.95 -0.12 0.00 -1.01 0.00 0.00 64.21 60.60 2vwv n SER 735 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2vwv s TYR 736 N -3.29 3.02 -0.17 1.43 5.04 -0.25 -5.02 117.35 118.12 2vwv s TYR 736 Ca 0.73 -0.35 -0.06 0.00 -2.44 0.00 0.00 57.07 54.95 2vwv s TYR 736 Cb -0.39 -1.98 -0.03 0.00 0.35 0.00 0.00 41.96 39.90 2vwv s TYR 736 CO 0.91 -0.09 0.02 0.08 -1.34 0.00 0.00 175.55 175.13 2vwv s VAL 737 N 0.50 4.39 -0.12 3.14 1.01 -1.26 -3.86 120.40 124.19 2vwv s VAL 737 Ca -0.03 -0.18 -0.25 0.00 0.00 0.00 0.00 61.98 61.52 2vwv s VAL 737 Cb -0.14 -2.96 -0.26 0.00 0.00 0.00 0.00 36.38 33.02 2vwv s VAL 737 CO 0.03 0.47 0.70 -0.74 0.00 0.00 0.00 175.10 175.56 2vwv h HIS 738 N 6.72 0.17 0.00 5.22 2.76 -1.97 -3.48 115.15 124.56 2vwv h HIS 738 Ca -0.34 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 57.70 2vwv h HIS 738 Cb 1.18 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.13 2vwv h HIS 738 CO 0.55 1.19 0.00 0.54 -1.30 0.00 0.00 177.93 178.91 2vwv n ARG 739 N -4.41 0.00 -2.66 5.26 1.74 -1.26 -4.76 116.66 110.57 2vwv n ARG 739 Ca -0.15 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.83 2vwv n ARG 739 Cb 0.63 -1.14 0.03 0.00 -1.02 0.00 0.00 32.46 30.96 2vwv n ARG 739 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2vwv n ASP 740 N 0.00 1.67 -4.64 0.55 2.03 -1.26 -4.84 116.55 110.06 2vwv n ASP 740 Ca 0.00 -2.72 -0.43 0.00 0.52 0.00 0.00 54.79 52.16 2vwv n ASP 740 Cb 0.00 -0.52 -0.02 0.00 -0.72 0.00 0.00 41.12 39.86 2vwv n ASP 740 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2vwv s LEU 741 N -3.21 4.01 0.10 -2.67 2.96 -1.26 -4.80 118.68 113.81 2vwv s LEU 741 Ca 0.28 1.42 -0.21 0.00 -0.22 0.00 0.00 54.13 55.40 2vwv s LEU 741 Cb 0.44 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.65 2vwv s LEU 741 CO 0.02 -0.95 0.52 0.00 -1.32 0.00 0.00 176.35 174.62 2vwv s ALA 742 N 4.02 -1.32 0.46 5.97 0.00 -1.26 -4.74 121.76 124.89 2vwv s ALA 742 Ca 0.56 0.41 0.13 0.00 0.00 0.00 0.00 51.96 53.05 2vwv s ALA 742 Cb -0.19 0.62 1.04 0.00 0.00 0.00 0.00 23.12 24.59 2vwv s ALA 742 CO 0.19 -0.63 2.05 0.00 0.00 0.00 0.00 175.76 177.37 2vwv h ALA 743 N 2.42 1.78 0.00 0.00 0.00 -1.93 -1.84 119.26 119.68 2vwv h ALA 743 Ca -0.33 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2vwv h ALA 743 Cb 1.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2vwv h ALA 743 CO 0.42 0.17 0.00 0.07 0.00 0.00 0.00 179.25 179.91 2vwv h ARG 744 N 0.12 0.00 -0.45 0.00 0.11 -1.95 -2.32 114.38 109.90 2vwv h ARG 744 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 2vwv h ARG 744 Cb 0.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.24 2vwv h ARG 744 CO 0.01 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.17 2vwv n ASN 745 N -2.54 3.96 -4.46 0.08 3.02 -0.70 -4.79 115.26 109.84 2vwv n ASN 745 Ca 0.00 -2.47 -0.33 0.00 -0.03 0.00 0.00 54.58 51.75 2vwv n ASN 745 Cb 0.18 -0.46 -0.13 0.00 -0.61 0.00 0.00 39.78 38.76 2vwv n ASN 745 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2vwv s ILE 746 N -1.86 3.22 0.19 2.41 -1.09 -0.88 -1.64 121.20 121.56 2vwv s ILE 746 Ca 0.40 -0.64 0.08 0.00 -2.23 0.00 0.00 60.65 58.26 2vwv s ILE 746 Cb 0.27 -2.31 -0.04 0.00 -1.58 0.00 0.00 42.46 38.79 2vwv s ILE 746 CO 0.17 0.56 -0.02 -0.76 -1.23 0.00 0.00 174.94 173.67 2vwv s LEU 747 N -0.29 3.23 -0.05 2.97 1.43 0.06 -0.63 118.68 125.40 2vwv s LEU 747 Ca 0.03 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.67 2vwv s LEU 747 Cb -0.13 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.24 2vwv s LEU 747 CO 0.03 0.07 -0.09 -0.69 0.23 0.00 0.00 176.35 175.90 2vwv s VAL 748 N -1.84 0.85 0.48 -1.59 1.01 -0.20 -0.54 120.40 118.58 2vwv s VAL 748 Ca 0.28 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 61.99 2vwv s VAL 748 Cb -0.09 -0.81 0.09 0.00 0.00 0.00 0.00 36.38 35.57 2vwv s VAL 748 CO 0.18 0.29 0.65 -0.46 0.00 0.00 0.00 175.10 175.77 2vwv n ASN 749 N 3.91 1.34 0.17 3.32 0.23 -0.86 -0.79 115.26 122.58 2vwv n ASN 749 Ca -0.24 -2.03 0.13 0.00 -0.53 0.00 0.00 54.58 51.92 2vwv n ASN 749 Cb 0.51 -0.38 0.47 0.00 -2.08 0.00 0.00 39.78 38.30 2vwv n ASN 749 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2vwv h SER 750 N -0.13 0.00 -0.50 0.53 4.64 -1.93 -1.05 113.55 115.11 2vwv h SER 750 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2vwv h SER 750 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 2vwv h SER 750 CO 0.28 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.83 2vwv n ASN 751 N -2.55 3.34 -0.24 4.97 3.02 -1.26 -4.91 115.26 117.62 2vwv n ASN 751 Ca 0.03 -2.21 -0.03 0.00 -0.03 0.00 0.00 54.58 52.34 2vwv n ASN 751 Cb 0.34 -0.44 -0.01 0.00 -0.61 0.00 0.00 39.78 39.05 2vwv n ASN 751 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2vwv n LEU 752 N 0.87 0.09 -4.70 3.41 4.77 -0.40 -5.00 117.00 116.04 2vwv n LEU 752 Ca 0.19 0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.82 2vwv n LEU 752 Cb 0.60 -1.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.17 2vwv n LEU 752 CO 0.16 -0.48 1.04 -0.69 -1.33 0.00 0.00 177.39 176.08 2vwv s VAL 753 N -1.80 3.65 -0.12 4.08 1.01 -1.26 -4.77 120.40 121.19 2vwv s VAL 753 Ca 0.00 1.13 -0.06 0.00 0.00 0.00 0.00 61.98 63.06 2vwv s VAL 753 Cb 0.00 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2vwv s VAL 753 CO 0.00 0.05 0.08 0.00 0.00 0.00 0.00 175.10 175.23 2vwv s LYS 755 N -0.68 1.25 0.21 0.00 1.02 0.30 -4.48 119.74 117.36 2vwv s LYS 755 Ca 0.12 -0.24 -0.31 0.00 0.02 0.00 0.00 55.97 55.56 2vwv s LYS 755 Cb -0.12 -1.13 -0.10 0.00 -0.52 0.00 0.00 37.83 35.96 2vwv s LYS 755 CO 0.02 -0.05 1.46 0.08 -0.92 0.00 0.00 175.35 175.95 2vwv s VAL 756 N 0.87 2.74 0.00 3.17 1.01 -0.12 -0.76 120.40 127.31 2vwv s VAL 756 Ca -0.12 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.45 2vwv s VAL 756 Cb -0.15 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.86 2vwv s VAL 756 CO 0.01 0.08 0.00 -1.54 0.00 0.00 0.00 175.10 173.65 2vwv n SER 757 N 2.92 0.64 -2.60 3.32 3.41 -0.65 -1.22 113.62 119.43 2vwv n SER 757 Ca 0.09 -0.98 -0.02 0.00 -0.26 0.00 0.00 58.87 57.70 2vwv n SER 757 Cb 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 2vwv n SER 757 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2vwv n ASP 758 N -2.32 -6.36 -4.13 4.04 -0.08 -1.26 -4.84 116.55 101.60 2vwv n ASP 758 Ca 0.00 0.11 -0.38 0.00 -1.51 0.00 0.00 54.79 53.00 2vwv n ASP 758 Cb 0.00 -4.23 -0.04 0.00 2.34 0.00 0.00 41.12 39.18 2vwv n ASP 758 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2vwv n PHE 759 N -1.15 4.36 -0.86 -0.67 3.01 -1.26 -4.97 117.46 115.93 2vwv n PHE 759 Ca 0.03 -3.99 0.00 0.00 1.01 0.00 0.00 57.45 54.51 2vwv n PHE 759 Cb 0.44 -1.27 0.00 0.00 -0.01 0.00 0.00 39.48 38.65 2vwv n PHE 759 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2vwv n LYS 781 N 2.27 0.00 -2.86 -1.08 5.02 -1.26 -4.16 118.16 116.10 2vwv n LYS 781 Ca 0.23 0.05 -0.41 0.00 -2.02 0.00 0.00 58.31 56.16 2vwv n LYS 781 Cb 0.37 -2.69 -0.04 0.00 -0.02 0.00 0.00 35.03 32.66 2vwv n LYS 781 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2vwv s ILE 782 N -2.00 4.88 -0.94 -0.18 1.01 -1.26 -4.96 121.20 117.76 2vwv s ILE 782 Ca 0.00 1.72 -0.25 0.00 0.00 0.00 0.00 60.65 62.12 2vwv s ILE 782 Cb 0.00 -4.17 -0.13 0.00 0.01 0.00 0.00 42.46 38.17 2vwv s ILE 782 CO 0.00 0.06 2.16 -2.16 0.00 0.00 0.00 174.94 175.00 2vwv s PRO 783 N 1.87 1.87 0.15 2.79 0.04 -1.26 -4.83 135.00 135.63 2vwv s PRO 783 Ca 0.41 -0.13 -0.18 0.00 0.04 0.00 0.00 61.00 61.14 2vwv s PRO 783 Cb -0.17 -4.96 0.05 0.00 0.04 0.00 0.00 34.50 29.46 2vwv s PRO 783 CO 0.15 -4.35 1.70 0.82 0.04 0.00 0.00 177.00 175.36 2vwv h ILE 784 N 7.17 0.73 0.00 0.56 1.08 -1.94 -1.68 117.51 123.42 2vwv h ILE 784 Ca 0.06 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 2vwv h ILE 784 Cb 0.99 0.67 0.00 0.00 -3.07 0.00 0.00 36.82 35.42 2vwv h ILE 784 CO 1.09 0.01 0.00 -2.11 -0.69 0.00 0.00 178.15 176.45 2vwv n ARG 785 N -5.21 0.07 0.00 2.37 1.85 -1.26 -1.90 116.66 112.57 2vwv n ARG 785 Ca 0.00 0.29 0.10 0.00 -1.00 0.00 0.00 57.85 57.24 2vwv n ARG 785 Cb 0.17 -1.62 -0.02 0.00 -1.05 0.00 0.00 32.46 29.94 2vwv n ARG 785 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 2vwv n TRP 786 N -1.75 0.00 -4.00 2.89 8.01 -0.65 -4.99 117.44 116.94 2vwv n TRP 786 Ca 0.03 0.00 -0.35 0.00 -1.31 0.00 0.00 57.50 55.87 2vwv n TRP 786 Cb 0.21 0.00 -0.08 0.00 -2.01 0.00 0.00 31.31 29.43 2vwv n TRP 786 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 2vwv s THR 787 N -2.40 5.02 0.50 -0.99 2.01 -0.80 -3.43 115.64 115.56 2vwv s THR 787 Ca 0.16 0.04 -0.23 0.00 0.31 0.00 0.00 61.69 61.97 2vwv s THR 787 Cb 0.17 -3.21 -0.06 0.00 0.01 0.00 0.00 72.50 69.40 2vwv s THR 787 CO 0.56 0.54 1.35 0.00 -0.69 0.00 0.00 174.62 176.38 2vwv s ALA 788 N -0.37 2.98 0.23 7.40 0.00 -1.26 -4.77 121.76 125.97 2vwv s ALA 788 Ca 0.10 1.31 -0.09 0.00 0.00 0.00 0.00 51.96 53.28 2vwv s ALA 788 Cb -0.12 -3.55 0.37 0.00 0.00 0.00 0.00 23.12 19.82 2vwv s ALA 788 CO 0.02 -1.20 1.64 -1.35 0.00 0.00 0.00 175.76 174.87 2vwv h PRO 789 N 1.84 0.09 0.00 0.00 0.11 -1.95 -1.06 132.00 131.03 2vwv h PRO 789 Ca -0.51 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.49 2vwv h PRO 789 Cb 1.28 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 2vwv h PRO 789 CO 0.59 0.06 -0.51 1.05 -0.21 0.00 0.00 178.00 178.98 2vwv h GLU 790 N 0.10 0.00 -0.35 1.05 9.09 -1.92 0.12 114.58 122.66 2vwv h GLU 790 Ca 0.37 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.64 2vwv h GLU 790 Cb 0.63 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.72 2vwv h GLU 790 CO -0.62 0.51 -0.32 0.00 0.05 0.00 0.00 179.01 178.63 2vwv h ALA 791 N 1.49 0.51 -0.05 1.06 0.00 -1.41 -0.31 119.26 120.54 2vwv h ALA 791 Ca -0.01 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 2vwv h ALA 791 Cb 0.91 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2vwv h ALA 791 CO 0.07 0.57 0.03 0.82 0.00 0.00 0.00 179.25 180.74 2vwv h ILE 792 N 0.63 1.06 -0.33 0.00 2.04 -0.97 0.84 117.51 120.78 2vwv h ILE 792 Ca 0.06 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 2vwv h ILE 792 Cb 0.91 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 2vwv h ILE 792 CO 0.08 0.05 0.15 0.00 0.00 0.00 0.00 178.15 178.43 2vwv h ALA 793 N 0.97 0.42 -0.02 1.87 0.00 -0.71 -3.28 119.26 118.51 2vwv h ALA 793 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2vwv h ALA 793 Cb 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2vwv h ALA 793 CO -0.00 -0.01 -0.27 1.19 0.00 0.00 0.00 179.25 180.16 2vwv n PHE 794 N -4.75 0.00 -4.32 0.00 0.99 -0.13 -4.96 117.46 104.29 2vwv n PHE 794 Ca -0.01 0.00 -0.38 0.00 -0.00 0.00 0.00 57.45 57.06 2vwv n PHE 794 Cb 0.11 -0.02 -0.05 0.00 -1.00 0.00 0.00 39.48 38.53 2vwv n PHE 794 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 2vwv n ARG 795 N 0.34 -2.25 -4.25 -1.08 0.63 0.28 -4.98 116.66 105.35 2vwv n ARG 795 Ca 0.12 0.28 -0.18 0.00 -0.92 0.00 0.00 57.85 57.15 2vwv n ARG 795 Cb 0.49 -4.87 -0.13 0.00 0.45 0.00 0.00 32.46 28.40 2vwv n ARG 795 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2vwv s LYS 796 N -7.04 0.79 0.01 -0.14 1.02 -1.21 -5.06 119.74 108.10 2vwv s LYS 796 Ca 0.70 -0.72 0.06 0.00 0.02 0.00 0.00 55.97 56.03 2vwv s LYS 796 Cb -0.39 -0.75 -0.02 0.00 -0.52 0.00 0.00 37.83 36.15 2vwv s LYS 796 CO 0.96 0.18 -0.18 -0.06 -0.92 0.00 0.00 175.35 175.34 2vwv s PHE 797 N -0.92 1.56 0.26 3.18 0.40 -1.26 -4.08 117.98 117.11 2vwv s PHE 797 Ca -0.01 -0.33 0.01 0.00 -0.60 0.00 0.00 56.93 56.01 2vwv s PHE 797 Cb -0.08 -0.97 -0.04 0.00 0.51 0.00 0.00 43.02 42.44 2vwv s PHE 797 CO 0.01 0.02 0.13 0.95 0.70 0.00 0.00 175.22 177.03 2vwv s THR 798 N -0.60 0.32 0.51 0.64 -4.23 -1.26 -4.99 115.64 106.03 2vwv s THR 798 Ca 0.06 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.75 2vwv s THR 798 Cb -0.07 -2.56 0.26 0.00 1.34 0.00 0.00 72.50 71.46 2vwv s THR 798 CO 0.00 0.00 2.12 0.28 -0.54 0.00 0.00 174.62 176.48 2vwv h SER 799 N 2.39 0.00 0.49 3.99 0.02 -1.99 -0.06 113.55 118.39 2vwv h SER 799 Ca -0.36 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.49 2vwv h SER 799 Cb 1.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 2vwv h SER 799 CO 0.55 0.06 -0.46 0.00 -1.14 0.00 0.00 176.83 175.84 2vwv h ALA 800 N 1.94 1.21 0.00 3.77 0.00 -1.95 -0.17 119.26 124.06 2vwv h ALA 800 Ca -0.00 -0.42 -0.20 0.00 0.00 0.00 0.00 54.91 54.29 2vwv h ALA 800 Cb 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2vwv h ALA 800 CO 0.01 0.58 -0.89 0.66 0.00 0.00 0.00 179.25 179.61 2vwv h SER 801 N 0.00 0.29 -0.75 0.00 4.64 -1.45 -2.94 113.55 113.34 2vwv h SER 801 Ca -0.00 -0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 61.07 2vwv h SER 801 Cb 0.83 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 62.80 2vwv h SER 801 CO 0.06 1.04 0.43 0.44 -0.87 0.00 0.00 176.83 177.92 2vwv h ASP 802 N 0.12 0.93 -0.75 4.97 3.32 -0.77 -2.37 116.42 121.87 2vwv h ASP 802 Ca -0.05 -0.07 0.09 0.00 0.02 0.00 0.00 57.03 57.02 2vwv h ASP 802 Cb 1.52 -0.24 -0.07 0.00 0.22 0.00 0.00 39.33 40.76 2vwv h ASP 802 CO 0.14 0.74 0.41 0.00 -1.72 0.00 0.00 179.24 178.81 2vwv h ALA 803 N 1.42 1.05 0.44 3.45 0.00 -0.92 0.25 119.26 124.94 2vwv h ALA 803 Ca 0.27 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2vwv h ALA 803 Cb 0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2vwv h ALA 803 CO -0.05 0.04 -0.38 2.35 0.00 0.00 0.00 179.25 181.22 2vwv h TRP 804 N 0.71 -1.02 -0.88 0.00 2.91 -1.28 -1.20 115.95 115.19 2vwv h TRP 804 Ca 0.36 0.00 0.18 0.00 1.13 0.00 0.00 58.89 60.57 2vwv h TRP 804 Cb 0.32 0.39 -0.11 0.00 -0.51 0.00 0.00 29.16 29.25 2vwv h TRP 804 CO -0.08 -0.54 0.43 0.77 -1.03 0.00 0.00 178.44 177.99 2vwv h SER 805 N -0.82 0.45 -0.96 2.65 0.02 -1.14 -0.99 113.55 112.76 2vwv h SER 805 Ca -0.04 0.12 0.04 0.00 -0.84 0.00 0.00 61.79 61.08 2vwv h SER 805 Cb 0.71 0.06 -0.06 0.00 0.14 0.00 0.00 62.40 63.26 2vwv h SER 805 CO -0.03 0.12 0.62 0.22 -1.14 0.00 0.00 176.83 176.62 2vwv h TYR 806 N 0.52 1.16 -0.66 3.45 3.20 0.16 0.44 116.97 125.24 2vwv h TYR 806 Ca 0.52 0.03 0.09 0.00 3.14 0.00 0.00 58.73 62.51 2vwv h TYR 806 Cb 0.86 -0.38 -0.07 0.00 1.54 0.00 0.00 36.73 38.68 2vwv h TYR 806 CO -0.11 0.64 0.30 0.78 -1.64 0.00 0.00 178.16 178.13 2vwv h GLY 807 N 1.17 0.96 1.03 1.82 0.00 -0.00 0.17 103.07 108.22 2vwv h GLY 807 Ca 0.39 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.50 2vwv h GLY 807 CO -0.14 0.03 0.22 -2.22 0.00 0.00 0.00 176.54 174.43 2vwv h ILE 808 N 0.51 1.25 -0.33 2.60 1.08 -0.90 -1.72 117.51 120.01 2vwv h ILE 808 Ca 0.33 -0.84 -0.02 0.00 -0.39 0.00 0.00 64.86 63.94 2vwv h ILE 808 Cb 0.37 0.53 -0.01 0.00 -3.07 0.00 0.00 36.82 34.63 2vwv h ILE 808 CO -0.28 0.33 0.15 0.58 -0.69 0.00 0.00 178.15 178.23 2vwv h VAL 809 N 0.97 1.17 -0.66 1.67 2.07 0.23 0.04 116.25 121.74 2vwv h VAL 809 Ca 0.22 -0.50 0.14 0.00 0.82 0.00 0.00 66.70 67.38 2vwv h VAL 809 Cb 0.28 0.90 -0.11 0.00 -1.52 0.00 0.00 31.29 30.83 2vwv h VAL 809 CO -0.01 0.18 -0.02 0.24 0.02 0.00 0.00 177.57 177.98 2vwv h MET 810 N 0.39 0.09 -0.55 1.57 2.86 -0.42 -0.03 114.93 118.85 2vwv h MET 810 Ca 0.11 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2vwv h MET 810 Cb 0.15 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 2vwv h MET 810 CO -0.01 0.06 0.36 2.35 1.06 0.00 0.00 176.91 180.73 2vwv h TRP 811 N 0.10 0.68 -0.65 -0.22 7.01 -0.48 -1.38 115.95 121.01 2vwv h TRP 811 Ca 0.35 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.40 2vwv h TRP 811 Cb 0.57 -0.23 -0.04 0.00 -2.10 0.00 0.00 29.16 27.36 2vwv h TRP 811 CO -0.40 0.43 0.39 0.93 -2.79 0.00 0.00 178.44 176.99 2vwv h GLU 812 N 0.74 0.73 0.01 2.65 5.08 -0.27 -1.48 114.58 122.04 2vwv h GLU 812 Ca 0.20 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2vwv h GLU 812 Cb -0.07 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.01 2vwv h GLU 812 CO -0.05 0.48 -0.01 0.28 -1.00 0.00 0.00 179.01 178.72 2vwv h VAL 813 N 0.75 1.09 0.00 3.13 2.07 -0.76 0.17 116.25 122.70 2vwv h VAL 813 Ca 0.27 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2vwv h VAL 813 Cb 0.07 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2vwv h VAL 813 CO -0.13 0.08 0.00 0.23 0.02 0.00 0.00 177.57 177.78 2vwv n MET 814 N -5.03 0.14 -0.44 1.57 2.81 -0.54 -1.02 117.12 114.60 2vwv n MET 814 Ca -0.08 0.27 0.11 0.00 -1.81 0.00 0.00 57.70 56.20 2vwv n MET 814 Cb 0.10 -1.72 0.33 0.00 -0.71 0.00 0.00 33.22 31.22 2vwv n MET 814 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2vwv n SER 815 N -1.97 4.18 -3.84 7.83 7.64 -0.57 -4.71 113.62 122.19 2vwv n SER 815 Ca 0.04 -2.12 -0.24 0.00 1.01 0.00 0.00 58.87 57.55 2vwv n SER 815 Cb 0.28 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 2vwv n SER 815 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2vwv n PHE 816 N 1.51 -1.76 -1.02 1.43 3.01 -0.19 -2.97 117.46 117.46 2vwv n PHE 816 Ca 0.25 0.75 -0.01 0.00 1.01 0.00 0.00 57.45 59.45 2vwv n PHE 816 Cb 0.70 -3.94 -0.00 0.00 -0.01 0.00 0.00 39.48 36.23 2vwv n PHE 816 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2vwv n GLY 817 N -1.81 0.45 3.75 1.37 0.00 0.56 -2.94 105.19 106.57 2vwv n GLY 817 Ca -0.29 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.54 2vwv n GLY 817 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2vwv s GLU 818 N -1.59 3.23 0.13 1.61 2.56 -1.16 -4.86 118.70 118.62 2vwv s GLU 818 Ca 0.00 2.27 -0.31 0.00 0.00 0.00 0.00 54.97 56.94 2vwv s GLU 818 Cb 0.00 -2.32 -0.08 0.00 2.00 0.00 0.00 34.13 33.73 2vwv s GLU 818 CO 0.00 -1.13 1.31 0.50 -0.56 0.00 0.00 175.26 175.38 2vwv s ARG 819 N -2.83 4.37 0.27 4.30 3.52 -1.26 -4.74 118.95 122.58 2vwv s ARG 819 Ca 0.70 1.98 -0.31 0.00 -0.13 0.00 0.00 55.73 57.98 2vwv s ARG 819 Cb -0.41 -3.26 -0.12 0.00 -1.56 0.00 0.00 34.95 29.60 2vwv s ARG 819 CO 0.49 -0.33 1.52 -2.30 -0.81 0.00 0.00 175.30 173.87 2vwv n PRO 820 N 3.55 2.42 -3.71 5.12 -0.02 -1.26 -1.84 135.00 139.26 2vwv n PRO 820 Ca 0.09 0.86 -0.23 0.00 -2.02 0.00 0.00 63.50 62.20 2vwv n PRO 820 Cb 0.43 -2.59 0.04 0.00 -0.02 0.00 0.00 33.50 31.37 2vwv n PRO 820 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2vwv n TYR 821 N 2.09 -2.13 0.00 6.00 4.01 -1.26 -4.79 117.16 121.08 2vwv n TYR 821 Ca 0.10 0.89 0.00 0.00 -0.16 0.00 0.00 57.90 58.73 2vwv n TYR 821 Cb 0.34 -4.45 0.00 0.00 -0.31 0.00 0.00 39.34 34.92 2vwv n TYR 821 CO 0.00 0.00 0.00 -2.67 -0.46 0.00 0.00 176.86 173.73 2vwv n TRP 822 N -4.42 0.00 -0.15 -0.72 -0.00 -0.77 -0.88 117.44 110.50 2vwv n TRP 822 Ca -0.19 0.00 0.04 0.00 -0.00 0.00 0.00 57.50 57.35 2vwv n TRP 822 Cb 0.63 -0.37 0.11 0.00 -0.00 0.00 0.00 31.31 31.68 2vwv n TRP 822 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 2vwv n ASP 823 N -3.12 2.65 -4.83 -0.67 5.75 -1.26 -4.96 116.55 110.10 2vwv n ASP 823 Ca 0.00 -2.04 -0.35 0.00 -0.01 0.00 0.00 54.79 52.39 2vwv n ASP 823 Cb 0.00 -0.17 -0.06 0.00 -1.03 0.00 0.00 41.12 39.86 2vwv n ASP 823 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 2vwv s MET 824 N -1.08 3.27 0.83 0.11 -1.94 -0.06 -5.11 119.30 115.32 2vwv s MET 824 Ca 0.16 -0.31 -0.11 0.00 -1.71 0.00 0.00 55.69 53.72 2vwv s MET 824 Cb 0.09 -3.02 0.09 0.00 2.01 0.00 0.00 34.83 34.00 2vwv s MET 824 CO 0.10 0.71 1.09 -1.54 -0.01 0.00 0.00 175.02 175.37 2vwv s SER 825 N -1.41 4.07 0.19 3.03 1.04 -1.26 -4.88 113.70 114.48 2vwv s SER 825 Ca 0.20 1.63 -0.13 0.00 0.48 0.00 0.00 55.95 58.13 2vwv s SER 825 Cb -0.12 -2.33 0.22 0.00 0.10 0.00 0.00 66.02 63.89 2vwv s SER 825 CO 0.10 -2.28 1.67 0.78 0.98 0.00 0.00 173.24 174.49 2vwv h ASN 826 N -1.30 -0.25 -0.80 7.02 2.35 -1.99 -1.70 115.58 118.90 2vwv h ASN 826 Ca -0.46 0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.41 2vwv h ASN 826 Cb 1.26 0.24 -0.04 0.00 0.05 0.00 0.00 38.32 39.82 2vwv h ASN 826 CO 0.53 -0.09 0.47 -0.61 -1.65 0.00 0.00 177.43 176.08 2vwv h GLN 827 N 0.11 1.11 -0.86 0.81 5.75 -2.00 -1.65 115.11 118.38 2vwv h GLN 827 Ca 0.27 -0.11 0.06 0.00 -0.15 0.00 0.00 58.65 58.72 2vwv h GLN 827 Cb 0.42 -0.23 -0.06 0.00 1.07 0.00 0.00 27.48 28.69 2vwv h GLN 827 CO -0.46 0.80 0.56 -0.44 -2.65 0.00 0.00 178.83 176.64 2vwv h ASP 828 N 1.11 0.84 -0.15 -0.69 3.32 -1.85 -0.34 116.42 118.66 2vwv h ASP 828 Ca 0.29 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.29 2vwv h ASP 828 Cb -0.01 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 2vwv h ASP 828 CO -0.05 0.54 -0.13 0.58 -1.72 0.00 0.00 179.24 178.46 2vwv h VAL 829 N 0.96 1.34 -0.36 -1.35 2.07 -0.44 0.43 116.25 118.90 2vwv h VAL 829 Ca 0.37 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 2vwv h VAL 829 Cb 0.22 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 2vwv h VAL 829 CO -0.13 0.37 0.20 0.40 0.02 0.00 0.00 177.57 178.42 2vwv h ILE 830 N -0.02 1.14 -0.57 4.57 2.04 -1.22 0.37 117.51 123.81 2vwv h ILE 830 Ca 0.03 -0.35 0.09 0.00 1.00 0.00 0.00 64.86 65.62 2vwv h ILE 830 Cb 0.64 0.72 -0.07 0.00 -0.74 0.00 0.00 36.82 37.38 2vwv h ILE 830 CO 0.03 0.14 0.19 0.78 0.00 0.00 0.00 178.15 179.29 2vwv h ASN 831 N 0.45 0.16 -0.43 1.72 2.35 -0.99 -1.40 115.58 117.45 2vwv h ASN 831 Ca 0.13 0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 2vwv h ASN 831 Cb 0.05 0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 2vwv h ASN 831 CO -0.02 0.10 0.14 0.00 -1.65 0.00 0.00 177.43 176.01 2vwv h ALA 832 N 1.41 0.56 -0.31 -0.83 0.00 -0.37 -2.62 119.26 117.09 2vwv h ALA 832 Ca 0.29 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2vwv h ALA 832 Cb 0.36 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2vwv h ALA 832 CO -0.31 0.19 -0.15 0.82 0.00 0.00 0.00 179.25 179.80 2vwv h ILE 833 N 0.55 1.24 0.00 0.00 1.08 -0.54 -1.05 117.51 118.79 2vwv h ILE 833 Ca 0.14 -1.10 -0.07 0.00 -0.39 0.00 0.00 64.86 63.44 2vwv h ILE 833 Cb 0.24 1.17 -0.01 0.00 -3.07 0.00 0.00 36.82 35.16 2vwv h ILE 833 CO -0.01 0.36 -0.31 -0.08 -0.69 0.00 0.00 178.15 177.42 2vwv h GLU 834 N 0.49 0.00 -0.62 2.37 4.57 -1.14 -2.17 114.58 118.08 2vwv h GLU 834 Ca 0.09 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2vwv h GLU 834 Cb 0.55 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 2vwv h GLU 834 CO 0.04 0.31 0.00 1.04 -1.18 0.00 0.00 179.01 179.22 2vwv n GLN 835 N -3.75 2.62 -1.74 1.92 1.13 -0.68 -4.91 117.38 111.97 2vwv n GLN 835 Ca -0.01 -1.59 -0.16 0.00 -1.94 0.00 0.00 57.00 53.30 2vwv n GLN 835 Cb 0.41 -1.67 -0.05 0.00 0.11 0.00 0.00 30.24 29.05 2vwv n GLN 835 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2vwv n ASP 836 N 0.48 -4.86 -4.77 1.08 8.00 -0.82 -5.00 116.55 110.66 2vwv n ASP 836 Ca 0.14 0.26 -0.40 0.00 0.71 0.00 0.00 54.79 55.50 2vwv n ASP 836 Cb 0.59 -3.84 -0.02 0.00 -0.02 0.00 0.00 41.12 37.83 2vwv n ASP 836 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2vwv s TYR 837 N -2.66 3.01 0.07 1.24 5.04 -0.48 -5.00 117.35 118.56 2vwv s TYR 837 Ca 0.00 1.46 0.04 0.00 -2.44 0.00 0.00 57.07 56.12 2vwv s TYR 837 Cb 0.00 -3.60 -0.03 0.00 0.35 0.00 0.00 41.96 38.68 2vwv s TYR 837 CO 0.00 -1.75 -0.10 1.03 -1.34 0.00 0.00 175.55 173.39 2vwv s ARG 838 N -2.02 0.73 0.38 4.97 1.81 -1.26 -4.44 118.95 119.13 2vwv s ARG 838 Ca 0.53 -0.97 -0.28 0.00 -1.72 0.00 0.00 55.73 53.29 2vwv s ARG 838 Cb -0.37 -0.53 -0.10 0.00 -0.45 0.00 0.00 34.95 33.50 2vwv s ARG 838 CO 0.48 0.10 1.44 -0.51 -0.68 0.00 0.00 175.30 176.12 2vwv s LEU 839 N -1.98 4.32 0.88 2.53 1.43 -1.26 -5.00 118.68 119.60 2vwv s LEU 839 Ca -0.02 2.95 -0.12 0.00 -1.03 0.00 0.00 54.13 55.91 2vwv s LEU 839 Cb -0.07 -3.70 0.12 0.00 0.03 0.00 0.00 46.19 42.57 2vwv s LEU 839 CO 0.01 -0.83 1.16 -2.16 0.23 0.00 0.00 176.35 174.76 2vwv s PRO 840 N -2.07 1.39 0.15 1.29 0.04 -1.26 -4.98 135.00 129.56 2vwv s PRO 840 Ca 0.53 0.17 -0.31 0.00 0.04 0.00 0.00 61.00 61.43 2vwv s PRO 840 Cb -0.44 -1.88 -0.11 0.00 0.04 0.00 0.00 34.50 32.11 2vwv s PRO 840 CO 0.60 -2.00 1.76 -1.25 0.04 0.00 0.00 177.00 176.15 2vwv s PRO 841 N -5.43 4.14 0.84 0.56 0.04 -1.26 -4.99 135.00 128.90 2vwv s PRO 841 Ca 0.64 2.56 -0.12 0.00 0.04 0.00 0.00 61.00 64.12 2vwv s PRO 841 Cb -0.13 -3.40 0.10 0.00 0.04 0.00 0.00 34.50 31.12 2vwv s PRO 841 CO 0.52 -0.79 1.18 -2.14 0.04 0.00 0.00 177.00 175.81 2vwv s PRO 842 N 2.13 1.44 0.17 0.56 0.02 -1.26 -4.90 135.00 133.15 2vwv s PRO 842 Ca 0.78 1.67 -0.33 0.00 0.02 0.00 0.00 61.00 63.13 2vwv s PRO 842 Cb -0.46 -1.76 -0.15 0.00 0.02 0.00 0.00 34.50 32.14 2vwv s PRO 842 CO 0.34 -2.34 1.31 -2.30 -0.33 0.00 0.00 177.00 173.68 2vwv n PRO 843 N -3.63 1.48 -1.34 5.54 -0.02 -1.26 -1.62 135.00 134.15 2vwv n PRO 843 Ca 0.13 0.53 -0.12 0.00 -2.02 0.00 0.00 63.50 62.02 2vwv n PRO 843 Cb 0.51 -2.13 -0.05 0.00 -0.02 0.00 0.00 33.50 31.81 2vwv n PRO 843 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2vwv n ASP 844 N 2.34 -4.51 -4.67 2.55 8.00 -1.26 -4.92 116.55 114.08 2vwv n ASP 844 Ca 0.15 0.29 -0.39 0.00 0.71 0.00 0.00 54.79 55.55 2vwv n ASP 844 Cb 0.25 -3.04 -0.07 0.00 -0.02 0.00 0.00 41.12 38.25 2vwv n ASP 844 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vwv n PRO 846 N 4.61 1.83 -0.09 0.00 -0.02 -1.26 -4.86 135.00 135.21 2vwv n PRO 846 Ca -0.05 0.66 0.10 0.00 -2.02 0.00 0.00 63.50 62.19 2vwv n PRO 846 Cb 0.51 -2.41 0.47 0.00 -0.02 0.00 0.00 33.50 32.04 2vwv n PRO 846 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2vwv h THR 847 N 1.86 0.93 -0.80 3.45 2.02 -1.93 -2.18 112.91 116.26 2vwv h THR 847 Ca -0.49 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 66.49 2vwv h THR 847 Cb 1.30 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 68.08 2vwv h THR 847 CO 0.59 0.09 0.33 0.77 0.37 0.00 0.00 175.52 177.66 2vwv h SER 848 N 0.48 1.08 -0.25 4.18 4.64 -1.89 -1.61 113.55 120.18 2vwv h SER 848 Ca 0.28 -0.16 -0.16 0.00 -0.47 0.00 0.00 61.79 61.27 2vwv h SER 848 Cb 0.46 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2vwv h SER 848 CO -0.08 0.95 -0.45 -0.07 -0.87 0.00 0.00 176.83 176.31 2vwv h LEU 849 N 1.15 0.89 -0.43 5.97 3.38 -1.74 -2.71 115.31 121.82 2vwv h LEU 849 Ca 0.27 -0.43 -0.16 0.00 0.09 0.00 0.00 57.88 57.65 2vwv h LEU 849 Cb 0.20 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2vwv h LEU 849 CO -0.02 1.21 -0.38 -0.74 0.09 0.00 0.00 178.44 178.59 2vwv h HIS 850 N 0.66 1.08 -0.92 1.13 2.76 -1.19 -2.08 115.15 116.59 2vwv h HIS 850 Ca 0.04 -0.32 0.04 0.00 -2.20 0.00 0.00 60.37 57.93 2vwv h HIS 850 Cb 1.03 -0.23 -0.05 0.00 1.55 0.00 0.00 27.41 29.71 2vwv h HIS 850 CO 0.06 1.14 0.60 0.37 -1.30 0.00 0.00 177.93 178.80 2vwv h GLN 851 N 0.74 1.12 -0.40 5.26 5.75 -1.30 -0.90 115.11 125.38 2vwv h GLN 851 Ca 0.06 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.43 2vwv h GLN 851 Cb 0.96 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 29.24 2vwv h GLN 851 CO 0.09 0.74 -0.02 1.25 -2.65 0.00 0.00 178.83 178.24 2vwv h LEU 852 N 1.15 0.62 -0.07 -2.39 5.85 -1.14 -0.30 115.31 119.03 2vwv h LEU 852 Ca 0.37 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.97 2vwv h LEU 852 Cb 0.02 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 2vwv h LEU 852 CO -0.11 0.70 -0.08 0.24 -0.34 0.00 0.00 178.44 178.85 2vwv h MET 853 N 0.61 -0.10 -0.40 1.25 2.86 -0.68 -1.32 114.93 117.15 2vwv h MET 853 Ca 0.12 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 2vwv h MET 853 Cb 0.42 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 2vwv h MET 853 CO 0.02 -0.06 0.18 -0.07 1.06 0.00 0.00 176.91 178.03 2vwv h LEU 854 N -0.10 0.50 -0.55 1.22 3.38 -0.72 -1.14 115.31 117.90 2vwv h LEU 854 Ca 0.06 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2vwv h LEU 854 Cb 0.18 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2vwv h LEU 854 CO -0.13 0.45 0.20 0.44 0.09 0.00 0.00 178.44 179.49 2vwv h ASP 855 N 0.56 0.77 0.38 -0.43 3.32 -0.72 -2.24 116.42 118.05 2vwv h ASP 855 Ca 0.14 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 2vwv h ASP 855 Cb 0.09 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 2vwv h ASP 855 CO -0.02 0.74 -0.06 0.00 -1.72 0.00 0.00 179.24 178.18 2vwv n TRP 857 N -3.43 2.42 -2.21 0.00 8.01 -0.52 -3.61 117.44 118.10 2vwv n TRP 857 Ca -0.02 -1.28 -0.41 0.00 -1.31 0.00 0.00 57.50 54.49 2vwv n TRP 857 Cb 0.20 -0.70 -0.03 0.00 -2.01 0.00 0.00 31.31 28.78 2vwv n TRP 857 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 2vwv s GLN 858 N -3.04 4.40 0.20 -0.99 -0.21 -1.07 -4.92 119.66 114.03 2vwv s GLN 858 Ca 0.55 2.09 -0.11 0.00 0.02 0.00 0.00 55.36 57.91 2vwv s GLN 858 Cb 0.44 -3.15 0.23 0.00 1.00 0.00 0.00 33.01 31.53 2vwv s GLN 858 CO 0.13 -0.18 1.76 -0.22 -2.12 0.00 0.00 175.29 174.65 2vwv h LYS 859 N 4.57 0.43 -6.36 2.91 3.11 -1.93 -3.38 116.57 115.93 2vwv h LYS 859 Ca -0.46 -0.03 -0.57 0.00 -2.81 0.00 0.00 60.65 56.78 2vwv h LYS 859 Cb 1.22 -0.10 -0.05 0.00 -1.00 0.00 0.00 32.23 32.30 2vwv h LYS 859 CO 0.72 0.29 0.94 0.34 -2.81 0.00 0.00 179.45 178.93 2vwv s ASP 860 N -5.43 6.74 0.56 4.20 -1.08 -1.26 -4.89 116.67 115.51 2vwv s ASP 860 Ca -0.13 1.13 0.34 0.00 -0.52 0.00 0.00 52.55 53.37 2vwv s ASP 860 Cb 0.16 -2.54 1.50 0.00 -1.46 0.00 0.00 42.92 40.58 2vwv s ASP 860 CO 0.74 -1.04 2.04 0.08 0.52 0.00 0.00 175.17 177.51 2vwv h ARG 861 N 8.98 0.00 0.00 4.34 0.11 -1.95 -1.16 114.38 124.70 2vwv h ARG 861 Ca -0.25 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.81 2vwv h ARG 861 Cb 1.09 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.16 2vwv h ARG 861 CO 1.04 0.04 -0.14 -0.91 0.10 0.00 0.00 179.97 180.10 2vwv h ASN 862 N 0.00 0.00 1.20 0.08 -0.26 -1.92 -3.01 115.58 111.66 2vwv h ASN 862 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2vwv h ASN 862 Cb 0.44 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.70 2vwv h ASN 862 CO 0.00 0.14 -0.19 0.00 -1.06 0.00 0.00 177.43 176.33 2vwv n ALA 863 N -2.16 2.52 -1.78 -0.83 0.00 -0.44 -4.88 120.51 112.96 2vwv n ALA 863 Ca 0.01 -0.11 -0.37 0.00 0.00 0.00 0.00 53.44 52.98 2vwv n ALA 863 Cb 0.45 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.51 2vwv n ALA 863 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2vwv s ARG 864 N -3.10 3.91 0.30 0.00 0.52 -1.14 -4.98 118.95 114.48 2vwv s ARG 864 Ca 0.10 1.66 -0.29 0.00 -0.52 0.00 0.00 55.73 56.68 2vwv s ARG 864 Cb 0.14 -2.45 -0.10 0.00 0.52 0.00 0.00 34.95 33.06 2vwv s ARG 864 CO 0.62 -0.39 1.29 -1.25 0.02 0.00 0.00 175.30 175.59 2vwv s PRO 865 N -2.64 4.39 0.85 3.54 0.04 -1.26 -5.01 135.00 134.91 2vwv s PRO 865 Ca 0.61 2.15 -0.11 0.00 0.04 0.00 0.00 61.00 63.70 2vwv s PRO 865 Cb -0.26 -3.10 0.10 0.00 0.04 0.00 0.00 34.50 31.28 2vwv s PRO 865 CO 0.31 -0.16 1.09 1.03 0.04 0.00 0.00 177.00 179.32 2vwv s ARG 866 N -1.45 1.62 0.34 4.56 0.52 -1.26 -4.79 118.95 118.50 2vwv s ARG 866 Ca 0.50 1.05 0.07 0.00 -0.52 0.00 0.00 55.73 56.84 2vwv s ARG 866 Cb -0.39 -1.83 0.63 0.00 0.52 0.00 0.00 34.95 33.88 2vwv s ARG 866 CO 0.49 -2.05 1.83 0.74 0.02 0.00 0.00 175.30 176.33 2vwv h PHE 867 N -1.42 0.34 -1.00 -0.53 -1.00 -1.94 0.05 116.94 111.44 2vwv h PHE 867 Ca -0.46 -0.05 0.06 0.00 2.81 0.00 0.00 57.97 60.33 2vwv h PHE 867 Cb 1.26 -0.09 -0.07 0.00 3.61 0.00 0.00 35.95 40.66 2vwv h PHE 867 CO 0.50 0.49 0.65 -1.35 -1.61 0.00 0.00 178.31 176.99 2vwv h PRO 868 N 0.29 1.15 -0.33 1.51 0.11 -1.91 -1.18 132.00 131.63 2vwv h PRO 868 Ca 0.05 -0.07 -0.13 0.00 0.11 0.00 0.00 66.00 65.96 2vwv h PRO 868 Cb 0.50 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 2vwv h PRO 868 CO 0.03 0.76 -0.32 1.96 -0.21 0.00 0.00 178.00 180.22 2vwv h GLN 869 N 1.18 0.72 -0.21 1.05 4.20 -1.62 -1.30 115.11 119.12 2vwv h GLN 869 Ca 0.43 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 2vwv h GLN 869 Cb 0.16 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2vwv h GLN 869 CO -0.17 0.94 0.13 0.28 -0.67 0.00 0.00 178.83 179.33 2vwv h VAL 870 N 0.61 1.09 -0.58 -0.54 2.07 -0.82 -0.92 116.25 117.15 2vwv h VAL 870 Ca 0.07 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 2vwv h VAL 870 Cb 0.84 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 2vwv h VAL 870 CO 0.07 0.08 0.36 0.58 0.02 0.00 0.00 177.57 178.69 2vwv h VAL 871 N 0.25 1.17 -0.96 2.57 2.07 -1.12 -1.78 116.25 118.46 2vwv h VAL 871 Ca 0.08 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 2vwv h VAL 871 Cb 0.02 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.10 2vwv h VAL 871 CO -0.01 0.17 0.59 0.28 0.02 0.00 0.00 177.57 178.61 2vwv h SER 872 N 0.79 1.14 -0.46 0.57 0.02 -0.97 0.31 113.55 114.96 2vwv h SER 872 Ca 0.21 -0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 61.00 2vwv h SER 872 Cb -0.04 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.20 2vwv h SER 872 CO -0.04 0.86 -0.09 0.00 -1.14 0.00 0.00 176.83 176.42 2vwv h ALA 873 N 1.33 0.63 -0.60 3.77 0.00 -0.79 -1.33 119.26 122.27 2vwv h ALA 873 Ca 0.34 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2vwv h ALA 873 Cb -0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2vwv h ALA 873 CO -0.07 0.51 0.09 -0.07 0.00 0.00 0.00 179.25 179.71 2vwv h LEU 874 N 0.71 0.96 -1.71 0.00 3.38 -1.02 -2.74 115.31 114.90 2vwv h LEU 874 Ca 0.12 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2vwv h LEU 874 Cb 0.63 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2vwv h LEU 874 CO 0.04 0.98 0.18 0.44 0.09 0.00 0.00 178.44 180.17 2vwv h ASP 875 N 0.91 0.32 -0.13 -0.43 3.32 -0.69 -1.73 116.42 117.99 2vwv h ASP 875 Ca 0.18 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 2vwv h ASP 875 Cb 0.43 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 2vwv h ASP 875 CO 0.01 0.24 -0.01 0.11 -1.72 0.00 0.00 179.24 177.88 2vwv h LYS 876 N 0.38 0.24 -0.53 3.56 6.56 -1.01 -2.24 116.57 123.53 2vwv h LYS 876 Ca 0.10 -0.08 0.05 0.00 -1.06 0.00 0.00 60.65 59.67 2vwv h LYS 876 Cb -0.03 -0.02 -0.05 0.00 -0.57 0.00 0.00 32.23 31.56 2vwv h LYS 876 CO -0.02 0.50 0.25 0.52 -2.06 0.00 0.00 179.45 178.63 2vwv h MET 877 N -0.04 0.46 -0.47 3.15 2.86 -1.19 -1.38 114.93 118.33 2vwv h MET 877 Ca 0.04 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.69 2vwv h MET 877 Cb 0.39 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.91 2vwv h MET 877 CO 0.01 0.31 0.23 0.82 1.06 0.00 0.00 176.91 179.33 2vwv h ILE 878 N 0.48 0.95 0.00 -1.22 2.04 -1.30 -2.33 117.51 116.13 2vwv h ILE 878 Ca 0.24 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.94 2vwv h ILE 878 Cb 0.19 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2vwv h ILE 878 CO -0.19 0.08 0.00 0.54 0.00 0.00 0.00 178.15 178.58 2vwv n ARG 879 N -4.91 0.05 -3.11 2.37 3.00 -0.85 -3.93 116.66 109.29 2vwv n ARG 879 Ca 0.03 0.14 -0.23 0.00 -0.01 0.00 0.00 57.85 57.79 2vwv n ARG 879 Cb 0.12 -1.57 -0.04 0.00 0.00 0.00 0.00 32.46 30.97 2vwv n ARG 879 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2vwv n ASN 880 N -1.67 2.43 0.00 0.55 3.02 -0.56 -4.99 115.26 114.05 2vwv n ASN 880 Ca 0.05 -3.28 0.08 0.00 -0.03 0.00 0.00 54.58 51.40 2vwv n ASN 880 Cb 0.29 -0.60 0.49 0.00 -0.61 0.00 0.00 39.78 39.35 2vwv n ASN 880 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2vwv n PRO 881 N 0.20 0.99 0.24 3.52 -0.04 -1.06 -0.48 135.00 138.37 2vwv n PRO 881 Ca 0.27 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.83 2vwv n PRO 881 Cb 0.53 -1.26 0.61 0.00 -0.04 0.00 0.00 33.50 33.34 2vwv n PRO 881 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2vwv h ALA 882 N 3.51 1.42 0.00 0.55 0.00 -1.94 -2.33 119.26 120.46 2vwv h ALA 882 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2vwv h ALA 882 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2vwv h ALA 882 CO 0.00 0.21 0.00 -1.13 0.00 0.00 0.00 179.25 178.33 2vwv n SER 883 N -3.90 0.37 -1.16 0.00 3.41 0.37 -1.85 113.62 110.85 2vwv n SER 883 Ca -0.02 0.64 0.08 0.00 -0.26 0.00 0.00 58.87 59.31 2vwv n SER 883 Cb 0.26 -0.70 0.28 0.00 -0.26 0.00 0.00 64.21 63.79 2vwv n SER 883 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2vwv n LEU 884 N -1.97 4.18 0.00 1.04 4.77 -0.88 -4.62 117.00 119.52 2vwv n LEU 884 Ca 0.00 -2.65 0.15 0.00 -0.03 0.00 0.00 56.01 53.48 2vwv n LEU 884 Cb 0.08 -0.51 0.87 0.00 -2.33 0.00 0.00 43.42 41.53 2vwv n LEU 884 CO 0.10 0.72 1.03 0.29 -1.33 0.00 0.00 177.39 178.20