#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vwu s ILE 610 N 0.00 2.18 0.16 6.31 1.01 -0.55 -4.90 121.20 125.40 2vwu s ILE 610 Ca 0.00 -0.97 -0.31 0.00 0.00 0.00 0.00 60.65 59.36 2vwu s ILE 610 Cb 0.00 -1.84 -0.10 0.00 0.01 0.00 0.00 42.46 40.53 2vwu s ILE 610 CO 0.00 0.55 1.51 -0.62 0.00 0.00 0.00 174.94 176.38 2vwu s ASP 611 N 0.38 6.66 0.41 3.58 3.68 -1.26 -4.59 116.67 125.53 2vwu s ASP 611 Ca -0.17 2.55 0.13 0.00 2.13 0.00 0.00 52.55 57.19 2vwu s ASP 611 Cb -0.18 -2.60 0.87 0.00 -1.45 0.00 0.00 42.92 39.57 2vwu s ASP 611 CO 0.08 -0.76 1.92 0.58 0.13 0.00 0.00 175.17 177.11 2vwu h VAL 612 N 4.01 1.19 0.00 1.11 2.07 -1.97 -1.18 116.25 121.49 2vwu h VAL 612 Ca -0.43 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.18 2vwu h VAL 612 Cb 1.21 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 2vwu h VAL 612 CO 0.88 0.26 -0.00 0.77 0.02 0.00 0.00 177.57 179.50 2vwu h SER 613 N 0.01 0.00 0.81 0.57 4.64 -1.99 -1.92 113.55 115.67 2vwu h SER 613 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2vwu h SER 613 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2vwu h SER 613 CO 0.03 0.00 -0.03 -1.22 -0.87 0.00 0.00 176.83 174.75 2vwu n TYR 614 N -3.33 0.00 -4.13 4.77 4.01 -0.45 -4.81 117.16 113.22 2vwu n TYR 614 Ca -0.03 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.37 2vwu n TYR 614 Cb 0.08 -0.40 -0.11 0.00 -0.31 0.00 0.00 39.34 38.59 2vwu n TYR 614 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2vwu s VAL 615 N -2.84 4.27 -0.28 -0.72 1.01 -0.72 -1.27 120.40 119.84 2vwu s VAL 615 Ca 0.19 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.98 2vwu s VAL 615 Cb 0.19 -2.92 0.06 0.00 0.00 0.00 0.00 36.38 33.72 2vwu s VAL 615 CO 0.51 0.45 -0.06 -0.75 0.00 0.00 0.00 175.10 175.26 2vwu s LYS 616 N 0.63 2.18 -0.32 2.72 2.47 -0.02 -4.99 119.74 122.40 2vwu s LYS 616 Ca 0.01 -1.41 -0.28 0.00 -1.56 0.00 0.00 55.97 52.72 2vwu s LYS 616 Cb -0.14 -3.01 0.01 0.00 -1.46 0.00 0.00 37.83 33.23 2vwu s LYS 616 CO 0.02 -0.64 1.03 0.42 0.16 0.00 0.00 175.35 176.34 2vwu s ILE 617 N 1.11 4.55 0.00 5.43 1.01 -1.26 -0.67 121.20 131.37 2vwu s ILE 617 Ca -0.05 1.63 0.00 0.00 0.00 0.00 0.00 60.65 62.23 2vwu s ILE 617 Cb -0.20 -4.38 0.00 0.00 0.01 0.00 0.00 42.46 37.89 2vwu s ILE 617 CO -0.05 -0.46 0.00 -0.62 0.00 0.00 0.00 174.94 173.82 2vwu n GLU 618 N 6.78 2.30 -1.73 2.79 -0.58 0.75 -4.98 120.64 125.99 2vwu n GLU 618 Ca 0.11 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.43 2vwu n GLU 618 Cb 0.47 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 31.34 2vwu n GLU 618 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2vwu n GLU 619 N 0.00 2.35 -2.47 3.49 2.13 -1.21 -4.55 120.64 120.37 2vwu n GLU 619 Ca 0.00 0.83 -0.42 0.00 0.66 0.00 0.00 57.16 58.23 2vwu n GLU 619 Cb 0.00 -2.47 -0.03 0.00 0.27 0.00 0.00 31.44 29.21 2vwu n GLU 619 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2vwu s VAL 620 N -1.05 4.12 0.00 6.31 1.01 -1.26 -0.69 120.40 128.84 2vwu s VAL 620 Ca 0.55 1.56 0.00 0.00 0.00 0.00 0.00 61.98 64.09 2vwu s VAL 620 Cb -0.53 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 31.85 2vwu s VAL 620 CO 0.62 0.14 0.14 2.30 0.00 0.00 0.00 175.10 178.31 2vwu n ILE 621 N 3.69 0.00 -3.87 2.22 -5.35 0.41 -4.91 119.36 111.55 2vwu n ILE 621 Ca 0.08 -0.31 -0.03 0.00 -0.27 0.00 0.00 62.75 62.21 2vwu n ILE 621 Cb 0.47 1.17 0.02 0.00 -1.74 0.00 0.00 39.64 39.56 2vwu n ILE 621 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2vwu n GLY 622 N 0.34 0.66 2.92 3.28 0.00 -0.55 -4.97 105.19 106.86 2vwu n GLY 622 Ca 0.00 -1.15 -0.21 0.00 0.00 0.00 0.00 46.02 44.66 2vwu n GLY 622 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vwu s ALA 623 N -2.00 0.77 0.31 4.61 0.00 -1.26 -1.84 121.76 122.35 2vwu s ALA 623 Ca 0.21 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.07 2vwu s ALA 623 Cb -0.03 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.68 2vwu s ALA 623 CO 0.06 0.03 0.16 0.41 0.00 0.00 0.00 175.76 176.42 2vwu n GLY 624 N 3.95 3.18 0.34 0.00 0.00 0.25 -4.88 105.19 108.03 2vwu n GLY 624 Ca -0.25 -2.26 0.04 0.00 0.00 0.00 0.00 46.02 43.55 2vwu n GLY 624 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2vwu h GLU 625 N 0.00 0.77 -0.01 1.61 4.81 -2.00 -3.10 114.58 116.67 2vwu h GLU 625 Ca -0.22 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 2vwu h GLU 625 Cb 0.74 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.95 2vwu h GLU 625 CO 0.35 0.51 -0.17 1.19 -0.73 0.00 0.00 179.01 180.15 2vwu n PHE 626 N -4.46 0.00 -2.01 0.92 3.01 -1.26 -5.10 117.46 108.56 2vwu n PHE 626 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 2vwu n PHE 626 Cb 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 2vwu n PHE 626 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2vwu n GLY 627 N 0.85 -0.50 3.86 1.37 0.00 -1.17 -4.72 105.19 104.87 2vwu n GLY 627 Ca 0.05 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 2vwu n GLY 627 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vwu s GLU 628 N -1.85 3.54 -0.13 1.61 2.02 -1.25 0.84 118.70 123.48 2vwu s GLU 628 Ca 0.00 0.82 0.02 0.00 0.02 0.00 0.00 54.97 55.83 2vwu s GLU 628 Cb 0.00 -2.07 0.01 0.00 0.10 0.00 0.00 34.13 32.17 2vwu s GLU 628 CO 0.00 -0.62 -0.20 0.08 0.02 0.00 0.00 175.26 174.54 2vwu s VAL 629 N -3.08 1.91 0.23 2.63 1.01 -0.77 -2.71 120.40 119.63 2vwu s VAL 629 Ca 0.56 -0.89 0.11 0.00 0.00 0.00 0.00 61.98 61.76 2vwu s VAL 629 Cb -0.11 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 2vwu s VAL 629 CO 0.51 0.52 -0.19 0.00 0.00 0.00 0.00 175.10 175.94 2vwu s ARG 631 N -3.10 3.92 0.15 0.00 3.52 0.13 -0.04 118.95 123.54 2vwu s ARG 631 Ca 0.26 0.44 -0.08 0.00 -0.13 0.00 0.00 55.73 56.21 2vwu s ARG 631 Cb -0.07 -2.75 0.03 0.00 -1.56 0.00 0.00 34.95 30.60 2vwu s ARG 631 CO 0.13 0.37 0.43 0.41 -0.81 0.00 0.00 175.30 175.83 2vwu n GLY 632 N 0.27 1.29 3.14 8.12 0.00 0.44 -0.18 105.19 118.28 2vwu n GLY 632 Ca -0.02 -1.09 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 2vwu n GLY 632 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vwu s ARG 633 N -2.04 2.11 -0.18 1.61 0.52 0.16 -0.90 118.95 120.24 2vwu s ARG 633 Ca 0.09 -0.65 -0.03 0.00 -0.52 0.00 0.00 55.73 54.62 2vwu s ARG 633 Cb -0.02 -1.74 -0.02 0.00 0.52 0.00 0.00 34.95 33.69 2vwu s ARG 633 CO 0.05 0.20 -0.06 -1.17 0.02 0.00 0.00 175.30 174.33 2vwu s LEU 634 N 0.22 2.95 -0.23 2.53 2.96 -0.09 -0.84 118.68 126.18 2vwu s LEU 634 Ca -0.09 -0.30 -0.04 0.00 -0.22 0.00 0.00 54.13 53.48 2vwu s LEU 634 Cb -0.14 -1.72 0.08 0.00 0.50 0.00 0.00 46.19 44.91 2vwu s LEU 634 CO 0.04 0.09 0.11 -0.75 -1.32 0.00 0.00 176.35 174.51 2vwu s LYS 635 N 0.84 0.15 0.09 1.98 2.47 -0.40 -0.38 119.74 124.49 2vwu s LYS 635 Ca -0.02 -0.31 0.03 0.00 -1.56 0.00 0.00 55.97 54.11 2vwu s LYS 635 Cb -0.15 -1.54 -0.04 0.00 -1.46 0.00 0.00 37.83 34.64 2vwu s LYS 635 CO 0.01 -0.83 0.11 0.00 0.16 0.00 0.00 175.35 174.80 2vwu s ALA 636 N 2.10 3.64 0.19 3.13 0.00 -1.26 -4.55 121.76 125.01 2vwu s ALA 636 Ca 0.05 -1.01 -0.33 0.00 0.00 0.00 0.00 51.96 50.67 2vwu s ALA 636 Cb -0.16 -1.50 -0.14 0.00 0.00 0.00 0.00 23.12 21.32 2vwu s ALA 636 CO -0.22 0.73 1.45 -2.30 0.00 0.00 0.00 175.76 175.42 2vwu n PRO 637 N 0.31 1.95 -0.80 0.00 -0.02 -1.26 -1.98 135.00 133.21 2vwu n PRO 637 Ca -0.08 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2vwu n PRO 637 Cb 0.52 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 2vwu n PRO 637 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vwu n GLY 638 N 2.68 0.94 3.17 -1.23 0.00 -1.26 -5.02 105.19 104.47 2vwu n GLY 638 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 2vwu n GLY 638 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vwu s LYS 639 N -0.19 0.87 0.67 1.61 1.02 -0.84 -5.13 119.74 117.75 2vwu s LYS 639 Ca 0.00 -0.93 -0.15 0.00 0.02 0.00 0.00 55.97 54.91 2vwu s LYS 639 Cb 0.00 -0.89 0.01 0.00 -0.52 0.00 0.00 37.83 36.42 2vwu s LYS 639 CO 0.00 0.20 1.12 -1.59 -0.92 0.00 0.00 175.35 174.16 2vwu s LYS 640 N -1.62 2.71 0.53 1.68 0.00 -1.26 -4.39 119.74 117.38 2vwu s LYS 640 Ca -0.01 1.43 -0.22 0.00 0.00 0.00 0.00 55.97 57.17 2vwu s LYS 640 Cb -0.10 -1.94 -0.05 0.00 0.00 0.00 0.00 37.83 35.75 2vwu s LYS 640 CO 0.02 -1.33 1.34 -2.00 0.00 0.00 0.00 175.35 173.38 2vwu s GLU 641 N -4.09 3.26 0.12 1.78 2.12 -1.26 -4.70 118.70 115.93 2vwu s GLU 641 Ca 0.68 2.18 0.04 0.00 0.36 0.00 0.00 54.97 58.23 2vwu s GLU 641 Cb -0.21 -2.30 -0.04 0.00 0.26 0.00 0.00 34.13 31.84 2vwu s GLU 641 CO 0.42 -1.08 -0.11 -1.54 -0.54 0.00 0.00 175.26 172.41 2vwu s SER 642 N -0.98 1.68 -0.10 -1.70 1.04 0.49 -4.98 113.70 109.15 2vwu s SER 642 Ca 0.70 -0.90 -0.21 0.00 0.48 0.00 0.00 55.95 56.02 2vwu s SER 642 Cb -0.39 -0.01 -0.04 0.00 0.10 0.00 0.00 66.02 65.68 2vwu s SER 642 CO 0.46 -0.27 0.61 0.00 0.98 0.00 0.00 173.24 175.02 2vwu s VAL 644 N 0.81 1.35 0.07 0.00 -7.23 -0.08 -2.10 120.40 113.23 2vwu s VAL 644 Ca 0.32 -1.57 -0.14 0.00 -1.81 0.00 0.00 61.98 58.78 2vwu s VAL 644 Cb -0.17 -1.41 -0.06 0.00 0.56 0.00 0.00 36.38 35.30 2vwu s VAL 644 CO 0.15 -0.29 0.47 0.00 -0.31 0.00 0.00 175.10 175.11 2vwu s ALA 645 N -1.71 3.65 -0.10 1.32 0.00 -0.28 -0.42 121.76 124.24 2vwu s ALA 645 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.83 2vwu s ALA 645 Cb -0.07 -2.44 0.02 0.00 0.00 0.00 0.00 23.12 20.63 2vwu s ALA 645 CO 0.03 0.48 -0.09 0.42 0.00 0.00 0.00 175.76 176.60 2vwu s ILE 646 N -1.27 1.07 -0.23 0.00 1.01 0.95 -1.45 121.20 121.28 2vwu s ILE 646 Ca 0.31 -0.35 -0.11 0.00 0.00 0.00 0.00 60.65 60.49 2vwu s ILE 646 Cb -0.16 -1.05 -0.05 0.00 0.01 0.00 0.00 42.46 41.21 2vwu s ILE 646 CO 0.17 0.36 0.17 -0.54 0.00 0.00 0.00 174.94 175.10 2vwu s LYS 647 N 1.37 4.09 -0.02 2.79 1.02 -0.55 0.12 119.74 128.57 2vwu s LYS 647 Ca -0.01 -0.23 0.02 0.00 0.02 0.00 0.00 55.97 55.77 2vwu s LYS 647 Cb -0.14 -3.52 -0.03 0.00 -0.52 0.00 0.00 37.83 33.62 2vwu s LYS 647 CO -0.05 0.09 -0.07 0.95 -0.92 0.00 0.00 175.35 175.35 2vwu s THR 648 N 0.98 3.67 0.00 2.17 -4.23 -1.10 -1.98 115.64 115.16 2vwu s THR 648 Ca 0.08 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 2vwu s THR 648 Cb -0.13 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.14 2vwu s THR 648 CO 0.04 0.46 0.00 -0.11 -0.54 0.00 0.00 174.62 174.47 2vwu n LEU 649 N 1.76 0.00 0.00 4.79 7.94 -0.78 -3.76 117.00 126.94 2vwu n LEU 649 Ca -0.16 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.74 2vwu n LEU 649 Cb 0.53 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.48 2vwu n LEU 649 CO 0.30 0.00 0.00 1.07 -1.11 0.00 0.00 177.39 177.65 2vwu n THR 654 N 0.00 0.00 0.00 1.96 5.66 -1.26 -3.99 114.28 116.65 2vwu n THR 654 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2vwu n THR 654 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2vwu n THR 654 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2vwu n GLU 655 N 0.00 0.00 -0.28 1.09 4.07 -1.26 -2.46 120.64 121.80 2vwu n GLU 655 Ca 0.00 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.19 2vwu n GLU 655 Cb 0.00 0.00 0.32 0.00 -0.06 0.00 0.00 31.44 31.70 2vwu n GLU 655 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 2vwu h ARG 656 N 0.00 0.81 -0.02 5.31 2.43 -2.05 0.14 114.38 121.00 2vwu h ARG 656 Ca 0.00 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 58.93 2vwu h ARG 656 Cb 0.00 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 2vwu h ARG 656 CO 0.00 0.53 -0.81 1.96 -1.51 0.00 0.00 179.97 180.14 2vwu h GLN 657 N 0.83 0.26 -0.39 0.20 4.20 -1.90 -1.01 115.11 117.29 2vwu h GLN 657 Ca 0.42 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.86 2vwu h GLN 657 Cb 0.50 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 2vwu h GLN 657 CO -0.19 0.94 0.15 -0.09 -0.67 0.00 0.00 178.83 178.97 2vwu h ARG 658 N 0.16 0.60 -0.07 1.46 2.43 -1.52 0.31 114.38 117.74 2vwu h ARG 658 Ca -0.04 -0.12 -0.09 0.00 -0.81 0.00 0.00 59.98 58.92 2vwu h ARG 658 Cb 1.41 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.86 2vwu h ARG 658 CO 0.13 0.58 -0.37 0.00 -1.51 0.00 0.00 179.97 178.80 2vwu h ARG 659 N 0.49 0.15 -0.19 0.20 3.08 -0.74 -0.64 114.38 116.72 2vwu h ARG 659 Ca 0.13 -0.06 -0.15 0.00 0.07 0.00 0.00 59.98 59.97 2vwu h ARG 659 Cb 0.21 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2vwu h ARG 659 CO -0.01 0.50 -0.51 1.05 -1.07 0.00 0.00 179.97 179.93 2vwu h GLU 660 N 0.13 0.52 0.14 0.04 9.09 -0.80 -1.42 114.58 122.28 2vwu h GLU 660 Ca 0.01 -0.31 -0.01 0.00 0.05 0.00 0.00 59.36 59.11 2vwu h GLU 660 Cb 0.72 0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.85 2vwu h GLU 660 CO 0.05 0.91 -0.06 0.35 0.05 0.00 0.00 179.01 180.31 2vwu h PHE 661 N 0.41 -0.17 0.00 2.06 3.57 -0.04 -3.30 116.94 119.47 2vwu h PHE 661 Ca 0.02 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2vwu h PHE 661 Cb 1.03 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.83 2vwu h PHE 661 CO 0.04 0.13 0.00 -0.07 -2.23 0.00 0.00 178.31 176.18 2vwu h LEU 662 N -0.47 0.00 -1.35 0.59 3.38 -1.14 -3.17 115.31 113.15 2vwu h LEU 662 Ca -0.02 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.01 2vwu h LEU 662 Cb 0.37 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2vwu h LEU 662 CO 0.03 0.00 0.48 0.77 0.09 0.00 0.00 178.44 179.81 2vwu h SER 663 N 0.00 0.70 -0.69 -0.43 4.64 -1.33 -1.88 113.55 114.56 2vwu h SER 663 Ca 0.00 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 2vwu h SER 663 Cb 0.69 -0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 62.57 2vwu h SER 663 CO 0.00 0.46 0.37 -0.08 -0.87 0.00 0.00 176.83 176.71 2vwu h GLU 664 N 0.80 0.64 -0.66 4.77 4.81 -1.72 -1.84 114.58 121.38 2vwu h GLU 664 Ca 0.31 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.46 2vwu h GLU 664 Cb 0.20 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 2vwu h GLU 664 CO -0.10 0.42 0.26 0.00 -0.73 0.00 0.00 179.01 178.86 2vwu h ALA 665 N 1.38 0.85 -0.32 2.92 0.00 -1.55 -0.36 119.26 122.18 2vwu h ALA 665 Ca 0.32 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 2vwu h ALA 665 Cb 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2vwu h ALA 665 CO -0.22 0.47 -0.32 0.66 0.00 0.00 0.00 179.25 179.84 2vwu h SER 666 N 0.93 0.73 0.28 0.00 4.64 -1.17 0.26 113.55 119.22 2vwu h SER 666 Ca 0.22 -0.30 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 2vwu h SER 666 Cb 0.21 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2vwu h SER 666 CO -0.02 1.00 -0.14 0.40 -0.87 0.00 0.00 176.83 177.20 2vwu h ILE 667 N 0.59 0.75 -1.00 0.95 2.04 -1.25 -3.19 117.51 116.41 2vwu h ILE 667 Ca 0.07 -0.56 0.16 0.00 1.00 0.00 0.00 64.86 65.53 2vwu h ILE 667 Cb 0.84 1.05 -0.10 0.00 -0.74 0.00 0.00 36.82 37.87 2vwu h ILE 667 CO 0.07 0.11 0.62 -0.03 0.00 0.00 0.00 178.15 178.93 2vwu h MET 668 N -0.69 0.83 0.00 2.37 4.05 -0.96 -1.05 114.93 119.48 2vwu h MET 668 Ca -0.04 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.33 2vwu h MET 668 Cb 0.48 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 31.09 2vwu h MET 668 CO 0.06 0.55 0.00 0.41 0.23 0.00 0.00 176.91 178.16 2vwu n GLY 669 N -1.34 -1.03 0.13 1.39 0.00 0.90 -2.22 105.19 103.03 2vwu n GLY 669 Ca 0.22 0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.49 2vwu n GLY 669 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2vwu h GLN 670 N 0.00 0.00 -6.50 1.61 4.20 -1.18 -3.47 115.11 109.77 2vwu h GLN 670 Ca 0.00 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 58.04 2vwu h GLN 670 Cb 0.17 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 27.78 2vwu h GLN 670 CO 0.00 0.00 -0.75 -0.06 -0.67 0.00 0.00 178.83 177.35 2vwu s PHE 671 N -3.22 2.72 -0.26 2.96 2.99 -0.94 -5.10 117.98 117.14 2vwu s PHE 671 Ca 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 56.93 56.83 2vwu s PHE 671 Cb 0.11 -1.48 0.12 0.00 0.00 0.00 0.00 43.02 41.76 2vwu s PHE 671 CO 0.53 0.37 0.25 -2.00 -0.00 0.00 0.00 175.22 174.36 2vwu s GLU 672 N -1.81 0.26 -0.21 0.44 2.12 -1.26 -4.89 118.70 113.34 2vwu s GLU 672 Ca 0.18 -0.06 -0.27 0.00 0.36 0.00 0.00 54.97 55.19 2vwu s GLU 672 Cb -0.11 -0.91 0.08 0.00 0.26 0.00 0.00 34.13 33.46 2vwu s GLU 672 CO 0.10 -0.89 0.78 -1.58 -0.54 0.00 0.00 175.26 173.13 2vwu s HIS 673 N 2.32 -0.68 -0.61 5.30 2.46 -1.26 -5.05 115.29 117.77 2vwu s HIS 673 Ca 0.09 1.53 0.16 0.00 0.47 0.00 0.00 55.06 57.31 2vwu s HIS 673 Cb -0.15 0.33 0.77 0.00 -0.13 0.00 0.00 32.58 33.40 2vwu s HIS 673 CO -0.26 -0.40 1.51 -0.35 -2.47 0.00 0.00 174.74 172.76 2vwu n PRO 674 N 2.07 0.10 -0.57 2.88 -0.04 -1.26 -2.22 135.00 135.95 2vwu n PRO 674 Ca -0.15 0.46 0.03 0.00 -0.04 0.00 0.00 63.50 63.80 2vwu n PRO 674 Cb 0.56 -1.75 0.21 0.00 -0.04 0.00 0.00 33.50 32.48 2vwu n PRO 674 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2vwu n ASN 675 N -1.95 2.73 -4.07 3.54 3.02 -1.26 -4.85 115.26 112.42 2vwu n ASN 675 Ca 0.01 -3.49 -0.25 0.00 -0.03 0.00 0.00 54.58 50.82 2vwu n ASN 675 Cb 0.12 -0.57 -0.16 0.00 -0.61 0.00 0.00 39.78 38.56 2vwu n ASN 675 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2vwu s ILE 676 N -3.08 1.24 0.25 2.41 -1.09 -0.94 -0.87 121.20 119.11 2vwu s ILE 676 Ca 0.41 -0.58 -0.31 0.00 -2.23 0.00 0.00 60.65 57.94 2vwu s ILE 676 Cb 0.37 -1.09 -0.13 0.00 -1.58 0.00 0.00 42.46 40.02 2vwu s ILE 676 CO 0.02 0.37 1.47 0.00 -1.23 0.00 0.00 174.94 175.57 2vwu n ILE 677 N 3.45 0.89 -2.98 2.92 3.06 -0.50 -4.60 119.36 121.60 2vwu n ILE 677 Ca -0.20 -0.22 -0.40 0.00 -2.50 0.00 0.00 62.75 59.42 2vwu n ILE 677 Cb 0.53 -1.62 -0.04 0.00 0.54 0.00 0.00 39.64 39.04 2vwu n ILE 677 CO 0.00 0.00 0.00 -0.60 -2.50 0.00 0.00 176.55 173.45 2vwu s ARG 678 N -0.32 4.40 -0.18 9.51 3.52 -1.26 -4.98 118.95 129.64 2vwu s ARG 678 Ca 0.68 0.95 -0.27 0.00 -0.13 0.00 0.00 55.73 56.95 2vwu s ARG 678 Cb -0.61 -3.49 -0.01 0.00 -1.56 0.00 0.00 34.95 29.29 2vwu s ARG 678 CO 0.48 -0.06 0.93 -1.17 -0.81 0.00 0.00 175.30 174.68 2vwu s LEU 679 N 1.20 4.16 -0.06 -0.88 2.96 -1.26 -1.75 118.68 123.05 2vwu s LEU 679 Ca 0.39 1.30 0.03 0.00 -0.22 0.00 0.00 54.13 55.62 2vwu s LEU 679 Cb -0.18 -3.39 -0.25 0.00 0.50 0.00 0.00 46.19 42.88 2vwu s LEU 679 CO 0.17 -0.50 0.61 -0.33 -1.32 0.00 0.00 176.35 174.98 2vwu h GLU 680 N 7.35 0.13 0.00 1.98 4.39 -0.94 -3.48 114.58 124.01 2vwu h GLU 680 Ca -0.26 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.22 2vwu h GLU 680 Cb 1.11 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 2vwu h GLU 680 CO 0.88 0.85 0.00 0.41 -1.16 0.00 0.00 179.01 179.99 2vwu n GLY 681 N 1.72 -1.61 3.07 -3.84 0.00 -1.00 -4.99 105.19 98.53 2vwu n GLY 681 Ca -0.22 -1.14 -0.14 0.00 0.00 0.00 0.00 46.02 44.52 2vwu n GLY 681 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2vwu s VAL 682 N -2.76 0.58 -0.33 1.61 -7.23 -1.26 -0.13 120.40 110.88 2vwu s VAL 682 Ca 0.00 -1.05 -0.03 0.00 -1.81 0.00 0.00 61.98 59.09 2vwu s VAL 682 Cb 0.00 -0.63 0.06 0.00 0.56 0.00 0.00 36.38 36.36 2vwu s VAL 682 CO 0.00 -0.34 0.06 -0.69 -0.31 0.00 0.00 175.10 173.82 2vwu s VAL 683 N -1.30 3.25 0.00 1.32 1.01 -0.50 -1.49 120.40 122.69 2vwu s VAL 683 Ca -0.09 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 60.49 2vwu s VAL 683 Cb -0.10 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.37 2vwu s VAL 683 CO 0.01 -0.21 0.00 0.35 0.00 0.00 0.00 175.10 175.25 2vwu n THR 684 N 4.67 0.00 0.96 3.92 -2.24 -1.26 -1.06 114.28 119.27 2vwu n THR 684 Ca -0.11 -0.18 0.12 0.00 -2.27 0.00 0.00 64.05 61.62 2vwu n THR 684 Cb 0.43 0.72 0.33 0.00 -2.10 0.00 0.00 70.33 69.72 2vwu n THR 684 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2vwu n ASN 685 N -0.68 0.40 -4.72 3.42 5.03 -1.26 -4.89 115.26 112.56 2vwu n ASN 685 Ca 0.00 -0.02 -0.28 0.00 0.87 0.00 0.00 54.58 55.14 2vwu n ASN 685 Cb 0.00 0.05 -0.03 0.00 -1.02 0.00 0.00 39.78 38.78 2vwu n ASN 685 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 2vwu n SER 686 N -1.57 3.00 -3.95 6.41 2.88 -1.26 -5.17 113.62 113.97 2vwu n SER 686 Ca 0.06 -3.00 -0.13 0.00 -1.33 0.00 0.00 58.87 54.47 2vwu n SER 686 Cb 0.35 0.12 -0.13 0.00 -0.75 0.00 0.00 64.21 63.80 2vwu n SER 686 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2vwu s MET 687 N -4.04 0.29 0.53 -1.46 -1.94 -1.26 -4.29 119.30 107.12 2vwu s MET 687 Ca 0.18 -0.28 -0.21 0.00 -1.71 0.00 0.00 55.69 53.67 2vwu s MET 687 Cb -0.01 -0.19 -0.06 0.00 2.01 0.00 0.00 34.83 36.58 2vwu s MET 687 CO 0.11 0.04 1.20 -1.25 -0.01 0.00 0.00 175.02 175.11 2vwu s PRO 688 N -0.50 3.35 0.43 2.03 0.04 -1.26 -5.13 135.00 133.96 2vwu s PRO 688 Ca -0.03 1.82 -0.25 0.00 0.04 0.00 0.00 61.00 62.58 2vwu s PRO 688 Cb -0.04 -2.16 -0.08 0.00 0.04 0.00 0.00 34.50 32.27 2vwu s PRO 688 CO -0.00 -0.90 1.24 0.08 0.04 0.00 0.00 177.00 177.46 2vwu s VAL 689 N -1.57 2.84 0.02 -0.36 1.01 -1.26 -4.85 120.40 116.23 2vwu s VAL 689 Ca 0.71 0.70 0.00 0.00 0.00 0.00 0.00 61.98 63.39 2vwu s VAL 689 Cb -0.30 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 2vwu s VAL 689 CO 0.34 0.06 -0.03 -0.04 0.00 0.00 0.00 175.10 175.43 2vwu s MET 690 N -2.41 0.28 -0.11 2.72 -1.94 -0.22 -1.87 119.30 115.76 2vwu s MET 690 Ca 0.60 -0.54 0.02 0.00 -1.71 0.00 0.00 55.69 54.06 2vwu s MET 690 Cb -0.34 0.08 0.01 0.00 2.01 0.00 0.00 34.83 36.60 2vwu s MET 690 CO 0.42 -0.04 -0.17 0.42 -0.01 0.00 0.00 175.02 175.65 2vwu s ILE 691 N -1.27 1.59 -0.13 2.53 1.01 -0.84 -1.42 121.20 122.68 2vwu s ILE 691 Ca -0.14 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 2vwu s ILE 691 Cb -0.09 -1.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.93 2vwu s ILE 691 CO -0.01 0.46 -0.11 -0.76 0.00 0.00 0.00 174.94 174.52 2vwu s LEU 692 N 0.83 2.83 0.30 2.97 1.02 0.81 -1.48 118.68 125.96 2vwu s LEU 692 Ca -0.09 -0.28 0.09 0.00 0.02 0.00 0.00 54.13 53.87 2vwu s LEU 692 Cb -0.16 -1.64 -0.06 0.00 0.02 0.00 0.00 46.19 44.36 2vwu s LEU 692 CO 0.01 0.18 -0.10 0.42 0.02 0.00 0.00 176.35 176.87 2vwu s THR 693 N 0.26 2.00 0.28 5.49 -4.23 -0.53 -0.26 115.64 118.65 2vwu s THR 693 Ca -0.08 -2.21 -0.30 0.00 -1.18 0.00 0.00 61.69 57.93 2vwu s THR 693 Cb -0.15 -2.46 -0.13 0.00 1.34 0.00 0.00 72.50 71.09 2vwu s THR 693 CO 0.05 -0.31 1.29 -1.84 -0.54 0.00 0.00 174.62 173.27 2vwu n GLU 694 N -0.65 1.91 -2.58 3.99 0.28 -0.72 -1.12 120.64 121.76 2vwu n GLU 694 Ca -0.05 0.67 -0.42 0.00 -0.16 0.00 0.00 57.16 57.20 2vwu n GLU 694 Cb 0.63 -2.25 -0.03 0.00 1.43 0.00 0.00 31.44 31.22 2vwu n GLU 694 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 2vwu s PHE 695 N -0.57 3.48 -0.45 -1.84 5.36 -0.89 -4.38 117.98 118.70 2vwu s PHE 695 Ca 0.63 1.48 -0.07 0.00 -0.96 0.00 0.00 56.93 58.01 2vwu s PHE 695 Cb -0.64 -3.27 0.12 0.00 -0.34 0.00 0.00 43.02 38.88 2vwu s PHE 695 CO 0.56 -0.65 0.29 -1.64 -1.46 0.00 0.00 175.22 172.32 2vwu s MET 696 N 1.42 2.31 0.45 10.12 -1.94 -1.26 -4.92 119.30 125.48 2vwu s MET 696 Ca 0.54 -1.78 0.11 0.00 -1.71 0.00 0.00 55.69 52.85 2vwu s MET 696 Cb -0.24 -3.80 1.02 0.00 2.01 0.00 0.00 34.83 33.83 2vwu s MET 696 CO 0.25 -1.14 2.07 0.93 -0.01 0.00 0.00 175.02 177.12 2vwu h GLU 697 N 8.30 0.35 -0.02 2.03 3.07 -1.84 -1.42 114.58 125.05 2vwu h GLU 697 Ca -0.18 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.66 2vwu h GLU 697 Cb 1.06 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 2vwu h GLU 697 CO 0.80 0.23 -0.11 0.09 -1.40 0.00 0.00 179.01 178.62 2vwu n ASN 698 N -4.49 1.67 0.00 1.42 3.02 -0.37 -4.97 115.26 111.55 2vwu n ASN 698 Ca 0.03 -1.43 0.00 0.00 -0.03 0.00 0.00 54.58 53.15 2vwu n ASN 698 Cb 0.13 0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 2vwu n ASN 698 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vwu n GLY 699 N 1.27 0.24 3.77 7.41 0.00 -0.54 -4.58 105.19 112.75 2vwu n GLY 699 Ca 0.16 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.90 2vwu n GLY 699 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vwu s ALA 700 N -1.47 3.27 0.26 4.61 0.00 -1.26 -0.92 121.76 126.26 2vwu s ALA 700 Ca 0.00 0.74 -0.04 0.00 0.00 0.00 0.00 51.96 52.67 2vwu s ALA 700 Cb 0.00 -3.27 0.33 0.00 0.00 0.00 0.00 23.12 20.17 2vwu s ALA 700 CO 0.00 -0.07 1.85 1.25 0.00 0.00 0.00 175.76 178.79 2vwu h LEU 701 N 3.38 0.95 -0.11 0.00 5.85 -1.18 -1.08 115.31 123.11 2vwu h LEU 701 Ca -0.47 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.11 2vwu h LEU 701 Cb 1.21 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 2vwu h LEU 701 CO 0.65 0.82 -0.01 -2.24 -0.34 0.00 0.00 178.44 177.32 2vwu h ASP 702 N 1.03 0.21 0.16 1.25 2.03 -1.85 -0.20 116.42 119.04 2vwu h ASP 702 Ca 0.25 -0.34 -0.16 0.00 -0.73 0.00 0.00 57.03 56.05 2vwu h ASP 702 Cb 0.14 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 38.58 2vwu h ASP 702 CO -0.03 0.49 -0.59 0.77 -1.03 0.00 0.00 179.24 178.86 2vwu h SER 703 N -0.09 0.49 -0.50 4.15 4.64 -1.90 -1.87 113.55 118.47 2vwu h SER 703 Ca 0.03 -0.27 0.05 0.00 -0.47 0.00 0.00 61.79 61.13 2vwu h SER 703 Cb 0.39 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 62.29 2vwu h SER 703 CO 0.01 0.97 0.23 0.15 -0.87 0.00 0.00 176.83 177.31 2vwu h PHE 704 N 0.33 0.41 -0.53 4.77 3.57 -1.09 -1.41 116.94 122.99 2vwu h PHE 704 Ca -0.00 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.41 2vwu h PHE 704 Cb 1.12 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 2vwu h PHE 704 CO 0.04 0.18 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.14 2vwu h LEU 705 N 0.44 0.97 -0.90 0.59 3.38 -0.90 -2.61 115.31 116.27 2vwu h LEU 705 Ca 0.23 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2vwu h LEU 705 Cb 0.18 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2vwu h LEU 705 CO -0.19 1.07 0.49 0.03 0.09 0.00 0.00 178.44 179.93 2vwu h ARG 706 N 0.87 1.26 0.00 1.13 3.08 -1.13 -1.02 114.38 118.58 2vwu h ARG 706 Ca 0.14 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 2vwu h ARG 706 Cb 0.63 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 2vwu h ARG 706 CO 0.04 0.92 -0.15 1.25 -1.07 0.00 0.00 179.97 180.96 2vwu h LEU 707 N 1.26 0.00 -3.44 3.04 5.85 -1.09 -3.03 115.31 117.90 2vwu h LEU 707 Ca 0.32 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.74 2vwu h LEU 707 Cb 0.03 0.00 -0.20 0.00 0.37 0.00 0.00 40.66 40.86 2vwu h LEU 707 CO -0.05 0.15 -0.35 0.59 -0.34 0.00 0.00 178.44 178.44 2vwu n ASN 708 N -4.07 3.48 -4.68 1.25 3.02 -0.75 -5.05 115.26 108.47 2vwu n ASN 708 Ca -0.02 -3.81 -0.46 0.00 -0.03 0.00 0.00 54.58 50.26 2vwu n ASN 708 Cb 0.23 -0.54 -0.04 0.00 -0.61 0.00 0.00 39.78 38.82 2vwu n ASN 708 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2vwu n ASP 709 N -0.98 3.64 0.00 6.41 2.03 -0.46 -1.04 116.55 126.15 2vwu n ASP 709 Ca 0.36 0.98 0.00 0.00 0.52 0.00 0.00 54.79 56.65 2vwu n ASP 709 Cb 0.90 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.86 2vwu n ASP 709 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2vwu n GLY 710 N 4.24 0.72 0.36 0.27 0.00 -1.26 -4.91 105.19 104.62 2vwu n GLY 710 Ca 0.20 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.31 2vwu n GLY 710 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2vwu n GLN 711 N -2.28 1.43 -4.27 1.61 6.02 -0.21 -4.90 117.38 114.79 2vwu n GLN 711 Ca 0.00 -0.77 -0.28 0.00 -0.01 0.00 0.00 57.00 55.94 2vwu n GLN 711 Cb 0.02 -1.36 -0.10 0.00 1.02 0.00 0.00 30.24 29.82 2vwu n GLN 711 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2vwu s PHE 712 N -2.22 2.66 0.63 1.08 2.99 -1.26 -5.13 117.98 116.73 2vwu s PHE 712 Ca 0.14 -0.21 -0.09 0.00 0.00 0.00 0.00 56.93 56.77 2vwu s PHE 712 Cb 0.15 -1.33 -0.01 0.00 0.00 0.00 0.00 43.02 41.83 2vwu s PHE 712 CO 0.51 0.48 1.00 0.95 -0.00 0.00 0.00 175.22 178.16 2vwu s THR 713 N -1.53 4.01 0.29 0.64 -4.23 -1.26 -4.89 115.64 108.68 2vwu s THR 713 Ca 0.23 0.45 -0.00 0.00 -1.18 0.00 0.00 61.69 61.19 2vwu s THR 713 Cb -0.10 -3.62 0.28 0.00 1.34 0.00 0.00 72.50 70.40 2vwu s THR 713 CO 0.14 -0.76 1.88 0.58 -0.54 0.00 0.00 174.62 175.93 2vwu h VAL 714 N -0.36 1.04 -0.36 2.29 2.07 -1.99 -1.48 116.25 117.47 2vwu h VAL 714 Ca -0.45 -0.37 -0.09 0.00 0.82 0.00 0.00 66.70 66.61 2vwu h VAL 714 Cb 1.23 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2vwu h VAL 714 CO 0.62 0.20 -0.13 0.40 0.02 0.00 0.00 177.57 178.68 2vwu h ILE 715 N 1.08 1.25 -0.45 4.57 1.08 -1.99 -0.26 117.51 122.79 2vwu h ILE 715 Ca 0.43 -1.13 -0.04 0.00 -0.39 0.00 0.00 64.86 63.73 2vwu h ILE 715 Cb 0.25 1.11 -0.02 0.00 -3.07 0.00 0.00 36.82 35.10 2vwu h ILE 715 CO -0.18 0.38 0.13 1.56 -0.69 0.00 0.00 178.15 179.35 2vwu h GLN 716 N 0.58 0.70 -0.37 2.37 4.20 -1.71 -1.60 115.11 119.28 2vwu h GLN 716 Ca 0.10 -0.16 -0.11 0.00 0.06 0.00 0.00 58.65 58.55 2vwu h GLN 716 Cb 0.56 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 2vwu h GLN 716 CO 0.04 0.68 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.60 2vwu h LEU 717 N 0.59 0.73 -0.84 1.46 3.38 -0.82 -1.78 115.31 118.03 2vwu h LEU 717 Ca 0.14 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 2vwu h LEU 717 Cb 0.28 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2vwu h LEU 717 CO -0.00 0.92 -0.35 0.58 0.09 0.00 0.00 178.44 179.68 2vwu h VAL 718 N 0.64 1.29 -0.60 1.22 2.07 -0.96 -0.95 116.25 118.96 2vwu h VAL 718 Ca 0.09 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.13 2vwu h VAL 718 Cb 0.69 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 2vwu h VAL 718 CO 0.05 0.45 0.29 1.23 0.02 0.00 0.00 177.57 179.61 2vwu h GLY 719 N 1.09 0.93 0.99 2.17 0.00 -0.90 0.16 103.07 107.52 2vwu h GLY 719 Ca 0.04 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2vwu h GLY 719 CO 0.06 0.44 0.07 -0.33 0.00 0.00 0.00 176.54 176.79 2vwu h MET 720 N 0.82 0.14 -0.67 4.80 2.07 -1.02 -2.09 114.93 118.99 2vwu h MET 720 Ca 0.21 -0.01 -0.01 0.00 -2.07 0.00 0.00 59.70 57.81 2vwu h MET 720 Cb 0.13 -0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 29.79 2vwu h MET 720 CO -0.03 0.09 0.36 -0.07 1.07 0.00 0.00 176.91 178.34 2vwu h LEU 721 N 0.14 0.82 -0.50 1.22 3.38 -0.88 -1.56 115.31 117.93 2vwu h LEU 721 Ca 0.04 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2vwu h LEU 721 Cb -0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2vwu h LEU 721 CO -0.01 0.66 0.24 -0.09 0.09 0.00 0.00 178.44 179.33 2vwu h ARG 722 N 0.93 0.73 -0.43 1.13 1.12 -0.51 -0.38 114.38 116.96 2vwu h ARG 722 Ca 0.24 -0.11 0.00 0.00 -1.11 0.00 0.00 59.98 59.00 2vwu h ARG 722 Cb 0.03 -0.13 -0.02 0.00 -0.01 0.00 0.00 29.97 29.84 2vwu h ARG 722 CO -0.04 0.61 0.29 0.78 -3.11 0.00 0.00 179.97 178.49 2vwu h GLY 723 N 0.67 0.61 0.99 2.80 0.00 -0.98 -0.08 103.07 107.07 2vwu h GLY 723 Ca 0.17 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.28 2vwu h GLY 723 CO -0.02 0.22 0.44 -2.22 0.00 0.00 0.00 176.54 174.96 2vwu h ILE 724 N 0.59 1.16 -0.21 2.60 2.04 -1.12 -2.06 117.51 120.50 2vwu h ILE 724 Ca 0.16 -0.30 -0.08 0.00 1.00 0.00 0.00 64.86 65.64 2vwu h ILE 724 Cb -0.07 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 2vwu h ILE 724 CO -0.03 0.16 -0.20 0.00 0.00 0.00 0.00 178.15 178.08 2vwu h ALA 725 N 1.25 1.27 -0.44 1.87 0.00 -0.68 -2.01 119.26 120.51 2vwu h ALA 725 Ca 0.25 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2vwu h ALA 725 Cb -0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2vwu h ALA 725 CO -0.06 0.48 -0.03 1.03 0.00 0.00 0.00 179.25 180.67 2vwu h SER 726 N 0.34 0.80 -0.45 0.00 0.87 -0.69 0.77 113.55 115.19 2vwu h SER 726 Ca 0.06 -0.33 0.05 0.00 -1.23 0.00 0.00 61.79 60.34 2vwu h SER 726 Cb 0.55 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 62.25 2vwu h SER 726 CO 0.04 0.93 0.19 1.23 -0.53 0.00 0.00 176.83 178.69 2vwu h GLY 727 N 0.64 0.60 1.52 5.77 0.00 -1.08 -1.48 103.07 109.05 2vwu h GLY 727 Ca 0.12 -0.12 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 2vwu h GLY 727 CO 0.03 0.06 -0.37 -0.33 0.00 0.00 0.00 176.54 175.93 2vwu h MET 728 N 0.38 0.53 -0.83 4.80 2.86 -1.19 -1.40 114.93 120.09 2vwu h MET 728 Ca 0.20 -0.25 0.02 0.00 -2.06 0.00 0.00 59.70 57.61 2vwu h MET 728 Cb 0.16 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.77 2vwu h MET 728 CO -0.18 0.82 0.54 -0.09 1.06 0.00 0.00 176.91 179.06 2vwu h ARG 729 N 0.45 1.04 -0.29 1.72 2.43 -0.48 -0.16 114.38 119.10 2vwu h ARG 729 Ca 0.05 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 2vwu h ARG 729 Cb 0.85 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 2vwu h ARG 729 CO 0.07 0.69 -0.19 -0.92 -1.51 0.00 0.00 179.97 178.11 2vwu h TYR 730 N 1.07 0.75 -0.36 2.20 3.20 -0.88 -1.64 116.97 121.31 2vwu h TYR 730 Ca 0.32 -0.20 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 2vwu h TYR 730 Cb -0.06 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.03 2vwu h TYR 730 CO -0.02 0.90 0.22 -0.07 -1.64 0.00 0.00 178.16 177.55 2vwu h LEU 731 N 0.38 0.42 -1.00 2.82 3.38 -0.92 -1.99 115.31 118.41 2vwu h LEU 731 Ca 0.06 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2vwu h LEU 731 Cb 0.73 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2vwu h LEU 731 CO 0.05 0.34 0.18 0.00 0.09 0.00 0.00 178.44 179.10 2vwu h ALA 732 N 1.10 1.20 -0.38 1.53 0.00 -1.02 0.10 119.26 121.79 2vwu h ALA 732 Ca 0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2vwu h ALA 732 Cb -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2vwu h ALA 732 CO -0.03 0.56 0.16 1.49 0.00 0.00 0.00 179.25 181.44 2vwu h GLU 733 N 0.87 0.54 -0.10 0.00 4.57 -1.10 -1.72 114.58 117.65 2vwu h GLU 733 Ca 0.20 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 2vwu h GLU 733 Cb 0.26 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 2vwu h GLU 733 CO -0.01 0.44 0.00 -1.33 -1.18 0.00 0.00 179.01 176.93 2vwu n MET 734 N -4.39 1.27 -2.80 1.92 2.81 -0.71 -4.91 117.12 110.31 2vwu n MET 734 Ca 0.02 -0.41 -0.19 0.00 -1.81 0.00 0.00 57.70 55.31 2vwu n MET 734 Cb 0.14 -1.18 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 2vwu n MET 734 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2vwu n SER 735 N -0.24 -4.86 -4.57 7.83 7.64 -0.65 -4.99 113.62 113.79 2vwu n SER 735 Ca 0.08 -0.11 -0.39 0.00 1.01 0.00 0.00 58.87 59.46 2vwu n SER 735 Cb 0.12 -4.02 -0.11 0.00 -1.01 0.00 0.00 64.21 59.19 2vwu n SER 735 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2vwu s TYR 736 N -2.92 3.22 -0.22 1.43 5.04 0.28 -5.00 117.35 119.18 2vwu s TYR 736 Ca 0.17 0.01 -0.14 0.00 -2.44 0.00 0.00 57.07 54.67 2vwu s TYR 736 Cb -0.08 -2.43 -0.04 0.00 0.35 0.00 0.00 41.96 39.75 2vwu s TYR 736 CO 0.21 -0.24 0.30 0.08 -1.34 0.00 0.00 175.55 174.56 2vwu s VAL 737 N 1.76 5.26 -0.07 3.14 1.01 -1.26 -3.92 120.40 126.33 2vwu s VAL 737 Ca 0.07 0.48 -0.25 0.00 0.00 0.00 0.00 61.98 62.28 2vwu s VAL 737 Cb -0.17 -3.63 -0.24 0.00 0.00 0.00 0.00 36.38 32.34 2vwu s VAL 737 CO 0.11 0.29 0.98 -0.74 0.00 0.00 0.00 175.10 175.74 2vwu h HIS 738 N 7.46 0.19 0.00 5.22 2.76 -1.97 -3.48 115.15 125.34 2vwu h HIS 738 Ca -0.37 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 2vwu h HIS 738 Cb 1.17 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.11 2vwu h HIS 738 CO 0.68 0.94 0.00 0.54 -1.30 0.00 0.00 177.93 178.78 2vwu n ARG 739 N -4.54 0.00 -2.14 5.26 1.74 -1.26 -4.74 116.66 110.98 2vwu n ARG 739 Ca -0.10 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 56.97 2vwu n ARG 739 Cb 0.50 -2.25 0.05 0.00 -1.02 0.00 0.00 32.46 29.74 2vwu n ARG 739 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2vwu n ASP 740 N 0.00 1.73 -4.65 0.55 2.03 -1.26 -4.81 116.55 110.14 2vwu n ASP 740 Ca 0.00 -2.33 -0.43 0.00 0.52 0.00 0.00 54.79 52.56 2vwu n ASP 740 Cb 0.00 -0.41 -0.02 0.00 -0.72 0.00 0.00 41.12 39.97 2vwu n ASP 740 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2vwu s LEU 741 N -2.45 4.12 0.08 -2.67 2.96 -1.26 -4.81 118.68 114.65 2vwu s LEU 741 Ca 0.33 1.75 -0.24 0.00 -0.22 0.00 0.00 54.13 55.75 2vwu s LEU 741 Cb 0.36 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.57 2vwu s LEU 741 CO -0.08 -0.94 0.59 0.00 -1.32 0.00 0.00 176.35 174.60 2vwu s ALA 742 N 4.07 -1.53 0.42 5.97 0.00 -1.26 -4.72 121.76 124.72 2vwu s ALA 742 Ca 0.63 0.69 0.11 0.00 0.00 0.00 0.00 51.96 53.38 2vwu s ALA 742 Cb -0.25 0.53 0.96 0.00 0.00 0.00 0.00 23.12 24.36 2vwu s ALA 742 CO 0.22 -0.60 2.02 0.00 0.00 0.00 0.00 175.76 177.40 2vwu h ALA 743 N 2.47 1.88 0.00 0.00 0.00 -1.93 0.30 119.26 121.98 2vwu h ALA 743 Ca -0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2vwu h ALA 743 Cb 1.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2vwu h ALA 743 CO 0.40 0.04 0.00 0.07 0.00 0.00 0.00 179.25 179.76 2vwu h ARG 744 N 0.47 0.00 -0.61 0.00 0.11 -1.95 -2.44 114.38 109.96 2vwu h ARG 744 Ca 0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.30 2vwu h ARG 744 Cb 0.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.34 2vwu h ARG 744 CO -0.06 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.10 2vwu n ASN 745 N -2.99 4.27 -4.40 0.08 3.02 0.09 -4.77 115.26 110.56 2vwu n ASN 745 Ca -0.02 -2.31 -0.33 0.00 -0.03 0.00 0.00 54.58 51.90 2vwu n ASN 745 Cb 0.14 -0.51 -0.14 0.00 -0.61 0.00 0.00 39.78 38.66 2vwu n ASN 745 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2vwu s ILE 746 N -1.57 2.96 0.18 2.41 -1.09 -0.92 -1.18 121.20 121.97 2vwu s ILE 746 Ca 0.46 -0.72 0.07 0.00 -2.23 0.00 0.00 60.65 58.23 2vwu s ILE 746 Cb 0.28 -2.20 -0.04 0.00 -1.58 0.00 0.00 42.46 38.93 2vwu s ILE 746 CO 0.25 0.55 0.02 -0.76 -1.23 0.00 0.00 174.94 173.77 2vwu s LEU 747 N -0.07 3.38 -0.06 2.97 1.43 -0.00 -1.33 118.68 124.99 2vwu s LEU 747 Ca -0.03 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 2vwu s LEU 747 Cb -0.14 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.07 2vwu s LEU 747 CO 0.04 0.08 -0.13 -0.69 0.23 0.00 0.00 176.35 175.88 2vwu s VAL 748 N -1.76 1.16 0.54 -1.59 1.01 -0.09 -0.73 120.40 118.94 2vwu s VAL 748 Ca 0.28 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.77 2vwu s VAL 748 Cb -0.09 -1.05 0.11 0.00 0.00 0.00 0.00 36.38 35.35 2vwu s VAL 748 CO 0.19 0.36 0.75 -0.46 0.00 0.00 0.00 175.10 175.94 2vwu n ASN 749 N 3.73 1.12 0.28 3.32 0.23 -0.57 -1.23 115.26 122.15 2vwu n ASN 749 Ca -0.22 -1.92 0.18 0.00 -0.53 0.00 0.00 54.58 52.09 2vwu n ASN 749 Cb 0.52 -0.47 0.76 0.00 -2.08 0.00 0.00 39.78 38.51 2vwu n ASN 749 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2vwu h SER 750 N -0.38 0.00 -0.57 0.53 4.64 -1.91 -1.38 113.55 114.48 2vwu h SER 750 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2vwu h SER 750 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 2vwu h SER 750 CO 0.28 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.83 2vwu n ASN 751 N -3.07 4.55 -0.73 4.97 3.02 -1.26 -4.93 115.26 117.79 2vwu n ASN 751 Ca 0.00 -2.50 -0.10 0.00 -0.03 0.00 0.00 54.58 51.96 2vwu n ASN 751 Cb 0.27 -0.58 -0.04 0.00 -0.61 0.00 0.00 39.78 38.82 2vwu n ASN 751 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2vwu n LEU 752 N 0.90 -0.54 -4.69 3.41 4.77 -0.52 -4.99 117.00 115.34 2vwu n LEU 752 Ca 0.24 0.24 -0.42 0.00 -0.03 0.00 0.00 56.01 56.03 2vwu n LEU 752 Cb 0.88 -1.91 -0.03 0.00 -2.33 0.00 0.00 43.42 40.04 2vwu n LEU 752 CO 0.23 -0.66 0.86 -0.69 -1.33 0.00 0.00 177.39 175.80 2vwu s VAL 753 N -2.20 4.45 -0.11 4.08 1.01 -1.26 -4.75 120.40 121.63 2vwu s VAL 753 Ca 0.00 1.76 -0.12 0.00 0.00 0.00 0.00 61.98 63.62 2vwu s VAL 753 Cb 0.00 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 2vwu s VAL 753 CO 0.00 0.04 0.27 0.00 0.00 0.00 0.00 175.10 175.41 2vwu s LYS 755 N -0.36 1.14 0.10 0.00 1.02 0.09 -4.43 119.74 117.31 2vwu s LYS 755 Ca 0.18 -0.27 -0.31 0.00 0.02 0.00 0.00 55.97 55.58 2vwu s LYS 755 Cb -0.14 -1.03 -0.08 0.00 -0.52 0.00 0.00 37.83 36.07 2vwu s LYS 755 CO 0.06 0.03 1.38 0.08 -0.92 0.00 0.00 175.35 175.98 2vwu s VAL 756 N 0.57 3.40 0.00 3.17 1.01 -0.05 -0.82 120.40 127.67 2vwu s VAL 756 Ca -0.10 0.99 0.00 0.00 0.00 0.00 0.00 61.98 62.87 2vwu s VAL 756 Cb -0.13 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.62 2vwu s VAL 756 CO 0.01 0.07 0.00 -0.24 0.00 0.00 0.00 175.10 174.94 2vwu n SER 757 N 4.11 0.12 -2.72 3.32 2.88 -0.33 -1.42 113.62 119.59 2vwu n SER 757 Ca 0.11 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.62 2vwu n SER 757 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 2vwu n SER 757 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2vwu n ASP 758 N 0.00 -6.97 -3.80 -3.46 4.64 -1.26 -4.85 116.55 100.85 2vwu n ASP 758 Ca 0.00 0.22 -0.28 0.00 -1.38 0.00 0.00 54.79 53.35 2vwu n ASP 758 Cb 0.00 -4.68 -0.12 0.00 -1.04 0.00 0.00 41.12 35.28 2vwu n ASP 758 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 2vwu s PHE 759 N -2.65 3.00 -0.21 -0.67 0.40 -1.26 -4.97 117.98 111.62 2vwu s PHE 759 Ca 0.11 -3.09 -0.09 0.00 -0.60 0.00 0.00 56.93 53.27 2vwu s PHE 759 Cb -0.03 -2.35 -0.04 0.00 0.51 0.00 0.00 43.02 41.10 2vwu s PHE 759 CO 0.64 -0.63 0.10 0.42 0.70 0.00 0.00 175.22 176.45 2vwu s ILE 782 N -0.96 4.97 -1.08 0.64 1.01 -1.26 -4.46 121.20 120.07 2vwu s ILE 782 Ca 0.25 0.04 -0.23 0.00 0.00 0.00 0.00 60.65 60.71 2vwu s ILE 782 Cb -0.07 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.10 2vwu s ILE 782 CO -0.14 0.41 1.82 -2.16 0.00 0.00 0.00 174.94 174.86 2vwu s PRO 783 N 0.73 2.97 0.20 2.79 0.04 -1.26 -4.87 135.00 135.60 2vwu s PRO 783 Ca 0.05 -1.00 -0.15 0.00 0.04 0.00 0.00 61.00 59.94 2vwu s PRO 783 Cb -0.13 -5.25 0.20 0.00 0.04 0.00 0.00 34.50 29.36 2vwu s PRO 783 CO 0.02 -3.16 1.63 0.82 0.04 0.00 0.00 177.00 176.34 2vwu h ILE 784 N 6.56 0.38 0.00 0.56 1.08 -1.98 -1.19 117.51 122.92 2vwu h ILE 784 Ca 0.21 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.68 2vwu h ILE 784 Cb 0.96 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 35.09 2vwu h ILE 784 CO 1.30 0.00 0.00 -2.11 -0.69 0.00 0.00 178.15 176.65 2vwu n ARG 785 N -5.41 0.22 0.00 2.37 1.85 -1.26 -1.90 116.66 112.52 2vwu n ARG 785 Ca 0.06 0.11 0.08 0.00 -1.00 0.00 0.00 57.85 57.10 2vwu n ARG 785 Cb 0.31 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.20 2vwu n ARG 785 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 2vwu n TRP 786 N -1.34 0.00 -3.93 2.89 8.01 -0.49 -5.00 117.44 117.58 2vwu n TRP 786 Ca 0.08 0.00 -0.35 0.00 -1.31 0.00 0.00 57.50 55.92 2vwu n TRP 786 Cb 0.18 0.00 -0.08 0.00 -2.01 0.00 0.00 31.31 29.40 2vwu n TRP 786 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 2vwu s THR 787 N -2.11 5.09 0.54 -0.99 2.01 -0.80 -3.56 115.64 115.82 2vwu s THR 787 Ca 0.12 0.07 -0.22 0.00 0.31 0.00 0.00 61.69 61.97 2vwu s THR 787 Cb 0.13 -3.27 -0.06 0.00 0.01 0.00 0.00 72.50 69.31 2vwu s THR 787 CO 0.49 0.50 1.26 0.00 -0.69 0.00 0.00 174.62 176.18 2vwu n ALA 788 N 3.04 1.20 -0.09 7.40 0.00 -1.26 -4.77 120.51 126.04 2vwu n ALA 788 Ca -0.17 0.13 0.03 0.00 0.00 0.00 0.00 53.44 53.42 2vwu n ALA 788 Cb 0.53 -2.28 0.36 0.00 0.00 0.00 0.00 19.45 18.05 2vwu n ALA 788 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2vwu h PRO 789 N 1.32 0.71 0.00 0.00 0.13 -1.96 -1.27 132.00 130.93 2vwu h PRO 789 Ca -0.50 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 64.51 2vwu h PRO 789 Cb 1.32 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2vwu h PRO 789 CO 0.56 0.47 -0.39 1.05 -0.23 0.00 0.00 178.00 179.46 2vwu h GLU 790 N 0.73 0.00 -0.03 0.86 9.09 -1.90 -0.02 114.58 123.31 2vwu h GLU 790 Ca 0.20 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.38 2vwu h GLU 790 Cb -0.08 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.03 2vwu h GLU 790 CO -0.04 0.39 -0.92 0.00 0.05 0.00 0.00 179.01 178.49 2vwu h ALA 791 N 1.61 0.33 0.03 1.06 0.00 -1.36 -0.50 119.26 120.43 2vwu h ALA 791 Ca -0.00 -0.68 -0.00 0.00 0.00 0.00 0.00 54.91 54.22 2vwu h ALA 791 Cb 0.87 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2vwu h ALA 791 CO 0.05 0.76 -0.01 0.82 0.00 0.00 0.00 179.25 180.87 2vwu h ILE 792 N 0.32 1.13 -0.17 0.00 2.04 -1.15 -1.45 117.51 118.22 2vwu h ILE 792 Ca -0.08 -0.51 -0.08 0.00 1.00 0.00 0.00 64.86 65.18 2vwu h ILE 792 Cb 1.55 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 39.10 2vwu h ILE 792 CO 0.17 0.13 -0.22 0.00 0.00 0.00 0.00 178.15 178.23 2vwu h ALA 793 N 0.70 0.26 -0.01 1.87 0.00 -1.05 -3.38 119.26 117.64 2vwu h ALA 793 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2vwu h ALA 793 Cb 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2vwu h ALA 793 CO 0.01 0.21 0.00 1.19 0.00 0.00 0.00 179.25 180.66 2vwu n PHE 794 N -4.45 0.02 -2.30 0.00 0.99 -0.20 -4.99 117.46 106.53 2vwu n PHE 794 Ca -0.06 -0.21 -0.18 0.00 -0.00 0.00 0.00 57.45 57.00 2vwu n PHE 794 Cb 0.42 -0.02 -0.02 0.00 -1.00 0.00 0.00 39.48 38.86 2vwu n PHE 794 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2vwu n ARG 795 N -0.14 -1.80 -2.93 -1.08 5.12 -0.55 -4.93 116.66 110.34 2vwu n ARG 795 Ca 0.01 0.91 -0.44 0.00 -1.93 0.00 0.00 57.85 56.40 2vwu n ARG 795 Cb 0.12 -5.51 -0.04 0.00 -1.16 0.00 0.00 32.46 25.87 2vwu n ARG 795 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2vwu s LYS 796 N -4.85 3.14 -0.24 5.56 2.47 -1.21 -4.95 119.74 119.65 2vwu s LYS 796 Ca 0.00 -1.06 -0.08 0.00 -1.56 0.00 0.00 55.97 53.28 2vwu s LYS 796 Cb 0.00 -4.30 -0.03 0.00 -1.46 0.00 0.00 37.83 32.04 2vwu s LYS 796 CO 0.00 -1.74 0.08 -0.06 0.16 0.00 0.00 175.35 173.79 2vwu s PHE 797 N 3.55 3.13 0.20 4.03 0.40 -1.26 -3.53 117.98 124.50 2vwu s PHE 797 Ca 0.20 -0.26 -0.02 0.00 -0.60 0.00 0.00 56.93 56.25 2vwu s PHE 797 Cb -0.18 -2.21 -0.04 0.00 0.51 0.00 0.00 43.02 41.10 2vwu s PHE 797 CO 0.07 -0.23 0.16 0.95 0.70 0.00 0.00 175.22 176.87 2vwu s THR 798 N 1.35 0.00 0.61 0.64 -4.23 -1.26 -4.99 115.64 107.76 2vwu s THR 798 Ca 0.05 -1.95 0.32 0.00 -1.18 0.00 0.00 61.69 58.93 2vwu s THR 798 Cb -0.15 -2.47 0.37 0.00 1.34 0.00 0.00 72.50 71.59 2vwu s THR 798 CO 0.04 -0.00 2.22 0.28 -0.54 0.00 0.00 174.62 176.61 2vwu h SER 799 N 2.60 0.00 0.46 3.99 0.02 -1.98 -1.11 113.55 117.52 2vwu h SER 799 Ca -0.35 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.44 2vwu h SER 799 Cb 1.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 2vwu h SER 799 CO 0.52 0.00 -0.67 0.00 -1.14 0.00 0.00 176.83 175.54 2vwu h ALA 800 N 1.90 0.80 -0.04 3.77 0.00 -1.94 -0.27 119.26 123.48 2vwu h ALA 800 Ca 0.03 -0.59 -0.13 0.00 0.00 0.00 0.00 54.91 54.22 2vwu h ALA 800 Cb 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2vwu h ALA 800 CO -0.00 0.78 -0.57 0.66 0.00 0.00 0.00 179.25 180.12 2vwu h SER 801 N 0.13 0.13 0.08 0.00 4.64 -1.57 -2.84 113.55 114.12 2vwu h SER 801 Ca -0.01 -0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 61.18 2vwu h SER 801 Cb 1.19 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 2vwu h SER 801 CO 0.10 0.67 -0.18 0.44 -0.87 0.00 0.00 176.83 176.99 2vwu h ASP 802 N 0.09 0.21 -0.60 4.97 3.32 -0.95 -2.35 116.42 121.12 2vwu h ASP 802 Ca -0.00 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 56.91 2vwu h ASP 802 Cb 1.03 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 2vwu h ASP 802 CO 0.08 0.41 0.02 0.00 -1.72 0.00 0.00 179.24 178.03 2vwu h ALA 803 N 1.62 0.89 0.08 3.45 0.00 -0.86 0.41 119.26 124.85 2vwu h ALA 803 Ca 0.04 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.67 2vwu h ALA 803 Cb 0.45 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2vwu h ALA 803 CO 0.03 0.66 -0.22 2.35 0.00 0.00 0.00 179.25 182.07 2vwu h TRP 804 N 0.97 -0.58 -0.96 0.00 2.91 -1.28 -1.91 115.95 115.10 2vwu h TRP 804 Ca 0.18 0.01 0.10 0.00 1.13 0.00 0.00 58.89 60.31 2vwu h TRP 804 Cb 0.52 0.24 -0.08 0.00 -0.51 0.00 0.00 29.16 29.34 2vwu h TRP 804 CO 0.04 -0.31 0.60 0.77 -1.03 0.00 0.00 178.44 178.50 2vwu h SER 805 N -0.39 0.90 -0.76 2.65 0.02 -1.14 -1.74 113.55 113.09 2vwu h SER 805 Ca 0.04 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.06 2vwu h SER 805 Cb 0.43 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.77 2vwu h SER 805 CO -0.14 0.52 0.48 0.22 -1.14 0.00 0.00 176.83 176.77 2vwu h TYR 806 N 1.01 0.89 -1.01 3.45 3.20 -0.60 -0.21 116.97 123.70 2vwu h TYR 806 Ca 0.45 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.42 2vwu h TYR 806 Cb 0.35 -0.29 -0.07 0.00 1.54 0.00 0.00 36.73 38.26 2vwu h TYR 806 CO -0.02 0.50 0.65 0.78 -1.64 0.00 0.00 178.16 178.43 2vwu h GLY 807 N 0.92 1.54 1.03 1.82 0.00 -0.52 0.96 103.07 108.82 2vwu h GLY 807 Ca 0.31 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 2vwu h GLY 807 CO -0.12 0.33 0.16 -2.22 0.00 0.00 0.00 176.54 174.69 2vwu h ILE 808 N 1.17 1.25 -0.75 2.60 1.08 -0.83 -2.09 117.51 119.95 2vwu h ILE 808 Ca 0.44 -0.92 -0.02 0.00 -0.39 0.00 0.00 64.86 63.96 2vwu h ILE 808 Cb 0.19 0.64 -0.03 0.00 -3.07 0.00 0.00 36.82 34.54 2vwu h ILE 808 CO -0.18 0.35 0.38 0.58 -0.69 0.00 0.00 178.15 178.59 2vwu h VAL 809 N 0.94 1.24 -0.66 1.67 2.07 -0.01 -0.32 116.25 121.17 2vwu h VAL 809 Ca 0.20 -0.64 0.11 0.00 0.82 0.00 0.00 66.70 67.19 2vwu h VAL 809 Cb 0.35 0.29 -0.08 0.00 -1.52 0.00 0.00 31.29 30.33 2vwu h VAL 809 CO 0.00 0.27 0.25 0.24 0.02 0.00 0.00 177.57 178.35 2vwu h MET 810 N 1.04 0.41 -0.55 1.57 2.86 -0.61 -0.48 114.93 119.17 2vwu h MET 810 Ca 0.26 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.81 2vwu h MET 810 Cb 0.09 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 2vwu h MET 810 CO -0.04 0.27 0.12 2.35 1.06 0.00 0.00 176.91 180.67 2vwu h TRP 811 N 0.42 0.95 -0.53 -0.22 7.01 -0.60 -1.44 115.95 121.53 2vwu h TRP 811 Ca 0.34 -0.12 0.03 0.00 2.11 0.00 0.00 58.89 61.25 2vwu h TRP 811 Cb 0.45 -0.26 -0.04 0.00 -2.10 0.00 0.00 29.16 27.21 2vwu h TRP 811 CO -0.17 0.83 0.31 0.93 -2.79 0.00 0.00 178.44 177.54 2vwu h GLU 812 N 0.79 0.58 -0.08 2.65 5.08 -0.68 -0.90 114.58 122.03 2vwu h GLU 812 Ca 0.17 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2vwu h GLU 812 Cb 0.37 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2vwu h GLU 812 CO 0.01 0.39 0.01 0.28 -1.00 0.00 0.00 179.01 178.69 2vwu h VAL 813 N 0.60 1.23 0.00 3.13 2.07 -0.87 0.32 116.25 122.72 2vwu h VAL 813 Ca 0.22 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 2vwu h VAL 813 Cb 0.06 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2vwu h VAL 813 CO -0.11 0.20 -0.00 0.24 0.02 0.00 0.00 177.57 177.91 2vwu h MET 814 N -0.12 0.00 -0.24 1.57 2.86 -1.17 -1.31 114.93 116.52 2vwu h MET 814 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2vwu h MET 814 Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 2vwu h MET 814 CO 0.00 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 176.84 2vwu n SER 815 N -3.09 2.07 -3.82 1.22 3.41 -0.35 -4.74 113.62 108.32 2vwu n SER 815 Ca 0.01 -1.80 -0.25 0.00 -0.26 0.00 0.00 58.87 56.56 2vwu n SER 815 Cb 0.31 -0.15 0.02 0.00 -0.26 0.00 0.00 64.21 64.13 2vwu n SER 815 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2vwu n PHE 816 N 0.59 -1.98 -1.34 7.33 3.01 -0.49 -3.53 117.46 121.04 2vwu n PHE 816 Ca 0.16 0.85 0.00 0.00 1.01 0.00 0.00 57.45 59.47 2vwu n PHE 816 Cb 0.38 -4.14 0.00 0.00 -0.01 0.00 0.00 39.48 35.72 2vwu n PHE 816 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2vwu n GLY 817 N -1.66 0.59 3.78 1.37 0.00 0.11 -2.91 105.19 106.46 2vwu n GLY 817 Ca -0.19 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 2vwu n GLY 817 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2vwu s GLU 818 N -2.80 3.11 -0.05 1.61 2.56 -1.23 -4.84 118.70 117.07 2vwu s GLU 818 Ca 0.00 1.38 -0.30 0.00 0.00 0.00 0.00 54.97 56.06 2vwu s GLU 818 Cb 0.00 -1.99 -0.04 0.00 2.00 0.00 0.00 34.13 34.10 2vwu s GLU 818 CO 0.00 -1.00 1.24 0.50 -0.56 0.00 0.00 175.26 175.44 2vwu s ARG 819 N -3.87 4.33 0.23 4.30 3.52 -1.26 -4.74 118.95 121.46 2vwu s ARG 819 Ca 0.67 1.72 -0.32 0.00 -0.13 0.00 0.00 55.73 57.68 2vwu s ARG 819 Cb -0.20 -3.57 -0.13 0.00 -1.56 0.00 0.00 34.95 29.49 2vwu s ARG 819 CO 0.36 -0.48 1.61 -2.30 -0.81 0.00 0.00 175.30 173.67 2vwu n PRO 820 N 5.32 2.50 -1.42 5.12 -0.02 -1.26 -1.69 135.00 143.55 2vwu n PRO 820 Ca 0.11 0.90 -0.13 0.00 -2.02 0.00 0.00 63.50 62.36 2vwu n PRO 820 Cb 0.46 -2.68 -0.05 0.00 -0.02 0.00 0.00 33.50 31.21 2vwu n PRO 820 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2vwu n TYR 821 N 3.00 -0.03 0.00 6.00 4.01 -1.26 -4.85 117.16 124.02 2vwu n TYR 821 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 2vwu n TYR 821 Cb 0.33 -2.35 0.00 0.00 -0.31 0.00 0.00 39.34 37.02 2vwu n TYR 821 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2vwu n TRP 822 N -2.70 0.00 0.37 -0.72 8.01 -0.68 -0.80 117.44 120.91 2vwu n TRP 822 Ca -0.13 0.00 0.10 0.00 -1.31 0.00 0.00 57.50 56.16 2vwu n TRP 822 Cb 0.43 0.00 0.26 0.00 -2.01 0.00 0.00 31.31 29.99 2vwu n TRP 822 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 2vwu n ASP 823 N 1.80 2.95 -4.67 -0.99 8.00 -1.26 -4.93 116.55 117.46 2vwu n ASP 823 Ca 0.00 -1.95 -0.41 0.00 0.71 0.00 0.00 54.79 53.14 2vwu n ASP 823 Cb 0.00 -0.31 0.02 0.00 -0.02 0.00 0.00 41.12 40.81 2vwu n ASP 823 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2vwu n MET 824 N 1.13 1.66 -1.44 -1.24 2.00 0.02 -4.97 117.12 114.27 2vwu n MET 824 Ca 0.19 0.59 -0.30 0.00 0.00 0.00 0.00 57.70 58.19 2vwu n MET 824 Cb 0.49 -2.27 0.12 0.00 0.00 0.00 0.00 33.22 31.56 2vwu n MET 824 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2vwu s SER 825 N -0.67 3.94 0.16 7.83 1.04 -1.26 -4.86 113.70 119.88 2vwu s SER 825 Ca 0.63 1.28 -0.16 0.00 0.48 0.00 0.00 55.95 58.19 2vwu s SER 825 Cb -0.51 -1.97 0.07 0.00 0.10 0.00 0.00 66.02 63.71 2vwu s SER 825 CO 0.56 -2.32 1.74 0.78 0.98 0.00 0.00 173.24 174.99 2vwu h ASN 826 N -1.33 0.10 -0.63 7.02 4.21 -1.99 -1.10 115.58 121.84 2vwu h ASN 826 Ca -0.49 0.05 -0.08 0.00 1.21 0.00 0.00 56.30 56.99 2vwu h ASN 826 Cb 1.29 0.04 -0.03 0.00 -1.12 0.00 0.00 38.32 38.51 2vwu h ASN 826 CO 0.58 0.09 0.10 -0.61 -1.29 0.00 0.00 177.43 176.30 2vwu h GLN 827 N 0.25 1.07 -0.51 0.81 5.75 -2.00 -1.19 115.11 119.30 2vwu h GLN 827 Ca 0.17 -0.28 -0.01 0.00 -0.15 0.00 0.00 58.65 58.37 2vwu h GLN 827 Cb 0.17 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 2vwu h GLN 827 CO -0.19 0.98 0.26 -0.44 -2.65 0.00 0.00 178.83 176.79 2vwu h ASP 828 N 1.00 0.63 -0.33 -0.69 3.32 -1.87 -1.37 116.42 117.11 2vwu h ASP 828 Ca 0.20 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.14 2vwu h ASP 828 Cb 0.44 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2vwu h ASP 828 CO 0.01 0.53 -0.01 0.58 -1.72 0.00 0.00 179.24 178.63 2vwu h VAL 829 N 0.71 1.26 -0.62 -1.35 2.07 -0.43 -0.20 116.25 117.69 2vwu h VAL 829 Ca 0.18 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.73 2vwu h VAL 829 Cb 0.06 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2vwu h VAL 829 CO -0.03 0.33 0.39 0.40 0.02 0.00 0.00 177.57 178.68 2vwu h ILE 830 N 0.40 1.09 -0.22 4.57 2.04 -0.91 -1.82 117.51 122.65 2vwu h ILE 830 Ca 0.09 -0.26 -0.19 0.00 1.00 0.00 0.00 64.86 65.50 2vwu h ILE 830 Cb 0.47 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 2vwu h ILE 830 CO 0.02 0.14 -0.61 0.78 0.00 0.00 0.00 178.15 178.48 2vwu h ASN 831 N 0.77 0.92 -0.45 1.72 2.35 -1.15 -2.44 115.58 117.30 2vwu h ASN 831 Ca 0.25 -0.58 -0.01 0.00 -0.55 0.00 0.00 56.30 55.41 2vwu h ASN 831 Cb 0.00 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 2vwu h ASN 831 CO -0.10 1.33 0.23 0.00 -1.65 0.00 0.00 177.43 177.24 2vwu h ALA 832 N 0.61 0.58 -0.46 -0.83 0.00 -0.84 -1.26 119.26 117.06 2vwu h ALA 832 Ca -0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2vwu h ALA 832 Cb 1.23 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2vwu h ALA 832 CO 0.13 0.13 0.16 0.82 0.00 0.00 0.00 179.25 180.49 2vwu h ILE 833 N 0.59 1.22 -0.07 0.00 1.08 -1.35 0.17 117.51 119.15 2vwu h ILE 833 Ca 0.16 -0.71 -0.02 0.00 -0.39 0.00 0.00 64.86 63.89 2vwu h ILE 833 Cb 0.09 0.82 -0.01 0.00 -3.07 0.00 0.00 36.82 34.66 2vwu h ILE 833 CO -0.02 0.26 -0.06 -0.08 -0.69 0.00 0.00 178.15 177.55 2vwu h GLU 834 N 0.61 0.10 -0.78 2.37 4.57 -1.32 -1.95 114.58 118.17 2vwu h GLU 834 Ca 0.15 -0.01 -0.18 0.00 -1.18 0.00 0.00 59.36 58.14 2vwu h GLU 834 Cb 0.25 -0.02 -0.11 0.00 -0.16 0.00 0.00 28.75 28.71 2vwu h GLU 834 CO -0.01 0.17 0.23 1.04 -1.18 0.00 0.00 179.01 179.26 2vwu n GLN 835 N -4.40 3.47 -0.86 1.92 1.13 -0.49 -4.94 117.38 113.21 2vwu n GLN 835 Ca -0.02 -2.68 0.00 0.00 -1.94 0.00 0.00 57.00 52.36 2vwu n GLN 835 Cb 0.18 -2.11 0.00 0.00 0.11 0.00 0.00 30.24 28.42 2vwu n GLN 835 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2vwu n ASP 836 N -0.04 -1.97 -4.76 1.08 8.00 -0.67 -4.98 116.55 113.19 2vwu n ASP 836 Ca 0.35 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.45 2vwu n ASP 836 Cb 1.25 -0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 41.99 2vwu n ASP 836 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2vwu s TYR 837 N -2.41 3.31 0.03 1.24 5.04 0.52 -4.98 117.35 120.11 2vwu s TYR 837 Ca 0.00 1.57 0.01 0.00 -2.44 0.00 0.00 57.07 56.22 2vwu s TYR 837 Cb 0.00 -3.45 -0.02 0.00 0.35 0.00 0.00 41.96 38.84 2vwu s TYR 837 CO 0.00 -1.14 -0.06 1.03 -1.34 0.00 0.00 175.55 174.04 2vwu s ARG 838 N -1.69 0.45 0.44 4.97 1.81 -1.26 -4.25 118.95 119.41 2vwu s ARG 838 Ca 0.48 -0.68 -0.26 0.00 -1.72 0.00 0.00 55.73 53.55 2vwu s ARG 838 Cb -0.35 -0.16 -0.09 0.00 -0.45 0.00 0.00 34.95 33.90 2vwu s ARG 838 CO 0.45 0.02 1.43 -0.51 -0.68 0.00 0.00 175.30 176.01 2vwu s LEU 839 N -1.48 4.15 0.76 2.53 1.43 -1.26 -5.00 118.68 119.81 2vwu s LEU 839 Ca -0.11 2.93 -0.12 0.00 -1.03 0.00 0.00 54.13 55.80 2vwu s LEU 839 Cb -0.10 -3.89 0.05 0.00 0.03 0.00 0.00 46.19 42.28 2vwu s LEU 839 CO -0.00 -1.12 1.13 -2.16 0.23 0.00 0.00 176.35 174.44 2vwu s PRO 840 N -2.38 2.36 0.23 1.29 0.04 -1.26 -4.99 135.00 130.29 2vwu s PRO 840 Ca 0.59 0.33 -0.30 0.00 0.04 0.00 0.00 61.00 61.66 2vwu s PRO 840 Cb -0.44 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.02 2vwu s PRO 840 CO 0.57 -1.36 1.50 -1.25 0.04 0.00 0.00 177.00 176.50 2vwu s PRO 841 N -5.43 4.23 0.90 0.56 0.04 -1.26 -4.98 135.00 129.06 2vwu s PRO 841 Ca 0.60 2.36 -0.11 0.00 0.04 0.00 0.00 61.00 63.89 2vwu s PRO 841 Cb -0.11 -3.11 0.13 0.00 0.04 0.00 0.00 34.50 31.44 2vwu s PRO 841 CO 0.51 -0.51 1.10 -2.30 0.04 0.00 0.00 177.00 175.84 2vwu n PRO 842 N 2.81 -0.33 -1.68 0.56 -0.02 -1.26 -4.90 135.00 130.18 2vwu n PRO 842 Ca 0.09 -0.03 -0.44 0.00 -2.02 0.00 0.00 63.50 61.11 2vwu n PRO 842 Cb 0.39 -2.35 -0.01 0.00 -0.02 0.00 0.00 33.50 31.51 2vwu n PRO 842 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2vwu n PRO 843 N -3.86 2.00 -0.85 0.52 -0.02 -1.26 -1.62 135.00 129.91 2vwu n PRO 843 Ca 0.12 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 2vwu n PRO 843 Cb 0.52 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 2vwu n PRO 843 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2vwu n ASP 844 N 1.28 -2.73 -4.69 2.55 8.00 -1.26 -4.93 116.55 114.77 2vwu n ASP 844 Ca 0.08 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.15 2vwu n ASP 844 Cb 0.34 -2.14 -0.03 0.00 -0.02 0.00 0.00 41.12 39.27 2vwu n ASP 844 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vwu n PRO 846 N 5.26 1.69 -0.14 0.00 -0.02 -1.26 -4.64 135.00 135.88 2vwu n PRO 846 Ca 0.12 0.60 0.06 0.00 -2.02 0.00 0.00 63.50 62.26 2vwu n PRO 846 Cb 0.45 -2.17 0.37 0.00 -0.02 0.00 0.00 33.50 32.13 2vwu n PRO 846 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2vwu h THR 847 N 2.80 1.04 -0.23 3.45 2.02 -1.29 -1.73 112.91 118.97 2vwu h THR 847 Ca -0.44 -0.24 -0.04 0.00 0.77 0.00 0.00 66.41 66.46 2vwu h THR 847 Cb 1.30 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 2vwu h THR 847 CO 0.72 0.13 -0.02 0.77 0.37 0.00 0.00 175.52 177.49 2vwu h SER 848 N 0.71 0.32 -0.09 4.18 4.64 -1.85 -0.25 113.55 121.21 2vwu h SER 848 Ca 0.28 -0.05 -0.22 0.00 -0.47 0.00 0.00 61.79 61.33 2vwu h SER 848 Cb 0.20 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.22 2vwu h SER 848 CO -0.08 0.39 -0.79 -0.07 -0.87 0.00 0.00 176.83 175.41 2vwu h LEU 849 N 0.33 0.85 -1.17 5.97 3.38 -1.70 -2.57 115.31 120.41 2vwu h LEU 849 Ca 0.08 -0.67 -0.05 0.00 0.09 0.00 0.00 57.88 57.32 2vwu h LEU 849 Cb 0.26 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2vwu h LEU 849 CO 0.01 1.40 0.01 -0.74 0.09 0.00 0.00 178.44 179.20 2vwu h HIS 850 N 0.38 0.60 -0.33 1.13 2.76 -1.12 -1.01 115.15 117.56 2vwu h HIS 850 Ca -0.07 -0.06 -0.11 0.00 -2.20 0.00 0.00 60.37 57.92 2vwu h HIS 850 Cb 1.44 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 30.21 2vwu h HIS 850 CO 0.10 0.58 -0.25 0.37 -1.30 0.00 0.00 177.93 177.43 2vwu h GLN 851 N 0.55 0.67 -0.81 5.26 5.75 -1.08 -1.09 115.11 124.36 2vwu h GLN 851 Ca 0.12 -0.27 -0.02 0.00 -0.15 0.00 0.00 58.65 58.33 2vwu h GLN 851 Cb 0.34 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.83 2vwu h GLN 851 CO 0.01 0.85 0.42 1.25 -2.65 0.00 0.00 178.83 178.72 2vwu h LEU 852 N 0.58 1.03 -0.34 -2.39 5.85 -1.04 -0.86 115.31 118.14 2vwu h LEU 852 Ca 0.08 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.71 2vwu h LEU 852 Cb 0.74 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 2vwu h LEU 852 CO 0.06 0.85 0.18 0.24 -0.34 0.00 0.00 178.44 179.43 2vwu h MET 853 N 1.13 0.36 -0.93 1.25 2.86 -0.84 -2.01 114.93 116.75 2vwu h MET 853 Ca 0.28 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.94 2vwu h MET 853 Cb 0.06 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.59 2vwu h MET 853 CO -0.04 0.24 0.61 -0.07 1.06 0.00 0.00 176.91 178.71 2vwu h LEU 854 N 0.37 1.00 -0.35 1.22 3.38 -0.90 -1.37 115.31 118.65 2vwu h LEU 854 Ca 0.14 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2vwu h LEU 854 Cb 0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2vwu h LEU 854 CO -0.08 0.68 0.21 0.44 0.09 0.00 0.00 178.44 179.77 2vwu h ASP 855 N 1.15 0.43 0.05 -0.43 3.32 -0.86 -2.11 116.42 117.97 2vwu h ASP 855 Ca 0.38 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 2vwu h ASP 855 Cb 0.04 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 2vwu h ASP 855 CO -0.12 0.37 -0.02 0.00 -1.72 0.00 0.00 179.24 177.75 2vwu n TRP 857 N -3.93 2.02 -2.04 0.00 8.01 -0.57 -3.56 117.44 117.37 2vwu n TRP 857 Ca -0.03 -0.91 -0.41 0.00 -1.31 0.00 0.00 57.50 54.85 2vwu n TRP 857 Cb 0.11 -0.54 -0.02 0.00 -2.01 0.00 0.00 31.31 28.85 2vwu n TRP 857 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 2vwu s GLN 858 N -2.86 4.29 0.14 -0.99 -0.21 -1.08 -4.92 119.66 114.03 2vwu s GLN 858 Ca 0.53 2.30 -0.15 0.00 0.02 0.00 0.00 55.36 58.06 2vwu s GLN 858 Cb 0.41 -3.05 0.00 0.00 1.00 0.00 0.00 33.01 31.38 2vwu s GLN 858 CO 0.14 -0.29 1.65 -0.22 -2.12 0.00 0.00 175.29 174.46 2vwu h LYS 859 N 3.50 0.68 -6.34 2.91 3.11 -1.93 -3.38 116.57 115.12 2vwu h LYS 859 Ca -0.49 -0.15 -0.57 0.00 -2.81 0.00 0.00 60.65 56.63 2vwu h LYS 859 Cb 1.23 -0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 32.33 2vwu h LYS 859 CO 0.67 0.67 1.21 0.34 -2.81 0.00 0.00 179.45 179.53 2vwu s ASP 860 N -6.00 6.05 0.44 4.20 2.15 -1.26 -4.90 116.67 117.36 2vwu s ASP 860 Ca -0.13 1.21 0.15 0.00 0.43 0.00 0.00 52.55 54.21 2vwu s ASP 860 Cb 0.11 -2.53 1.00 0.00 -0.30 0.00 0.00 42.92 41.20 2vwu s ASP 860 CO 0.77 -1.60 1.98 0.08 -0.17 0.00 0.00 175.17 176.23 2vwu h ARG 861 N 12.12 0.00 0.00 4.34 0.11 -1.96 -1.27 114.38 127.72 2vwu h ARG 861 Ca -0.32 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.73 2vwu h ARG 861 Cb 1.15 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.23 2vwu h ARG 861 CO 1.04 0.20 -0.12 -0.91 0.10 0.00 0.00 179.97 180.29 2vwu h ASN 862 N 0.00 0.00 1.44 0.08 -0.26 -1.93 -2.75 115.58 112.16 2vwu h ASN 862 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2vwu h ASN 862 Cb 0.36 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 2vwu h ASN 862 CO 0.03 0.12 -0.13 0.00 -1.06 0.00 0.00 177.43 176.38 2vwu h ALA 863 N 1.88 0.92 -2.57 -0.83 0.00 -1.60 -3.46 119.26 113.59 2vwu h ALA 863 Ca -0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 2vwu h ALA 863 Cb 0.49 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.32 2vwu h ALA 863 CO 0.01 0.00 0.44 1.03 0.00 0.00 0.00 179.25 180.74 2vwu s ARG 864 N -3.13 3.89 0.44 0.00 0.52 -1.04 -4.97 118.95 114.66 2vwu s ARG 864 Ca 0.09 1.62 -0.25 0.00 -0.52 0.00 0.00 55.73 56.67 2vwu s ARG 864 Cb 0.11 -2.40 -0.08 0.00 0.52 0.00 0.00 34.95 33.11 2vwu s ARG 864 CO 0.63 -0.40 1.32 -1.25 0.02 0.00 0.00 175.30 175.62 2vwu s PRO 865 N -2.72 3.78 0.73 3.54 0.04 -1.26 -5.02 135.00 134.09 2vwu s PRO 865 Ca 0.62 2.17 -0.11 0.00 0.04 0.00 0.00 61.00 63.72 2vwu s PRO 865 Cb -0.24 -2.63 0.03 0.00 0.04 0.00 0.00 34.50 31.70 2vwu s PRO 865 CO 0.30 -0.66 1.10 1.03 0.04 0.00 0.00 177.00 178.81 2vwu s ARG 866 N -2.43 2.65 0.36 4.56 0.52 -1.26 -4.87 118.95 118.48 2vwu s ARG 866 Ca 0.60 0.53 0.07 0.00 -0.52 0.00 0.00 55.73 56.41 2vwu s ARG 866 Cb -0.38 -1.99 0.68 0.00 0.52 0.00 0.00 34.95 33.78 2vwu s ARG 866 CO 0.48 -1.20 1.88 0.74 0.02 0.00 0.00 175.30 177.22 2vwu h PHE 867 N -0.78 0.36 -0.80 -0.53 -1.00 -1.93 -1.77 116.94 110.50 2vwu h PHE 867 Ca -0.45 -0.04 0.01 0.00 2.81 0.00 0.00 57.97 60.29 2vwu h PHE 867 Cb 1.26 -0.10 -0.04 0.00 3.61 0.00 0.00 35.95 40.67 2vwu h PHE 867 CO 0.50 0.46 0.53 -1.35 -1.61 0.00 0.00 178.31 176.83 2vwu h PRO 868 N 0.32 1.03 -0.17 1.51 0.11 -1.91 -1.63 132.00 131.27 2vwu h PRO 868 Ca 0.06 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 65.98 2vwu h PRO 868 Cb 0.41 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 2vwu h PRO 868 CO 0.02 0.68 -0.44 1.96 -0.21 0.00 0.00 178.00 180.02 2vwu h GLN 869 N 1.07 0.42 -0.10 1.05 4.20 -1.78 -1.44 115.11 118.52 2vwu h GLN 869 Ca 0.29 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 2vwu h GLN 869 Cb -0.10 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 2vwu h GLN 869 CO -0.07 0.78 0.05 0.28 -0.67 0.00 0.00 178.83 179.20 2vwu h VAL 870 N 0.34 1.13 -0.36 -0.54 2.07 -1.03 -0.17 116.25 117.69 2vwu h VAL 870 Ca 0.03 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 2vwu h VAL 870 Cb 0.92 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 2vwu h VAL 870 CO 0.08 0.12 0.17 0.58 0.02 0.00 0.00 177.57 178.54 2vwu h VAL 871 N 0.02 1.17 -0.72 2.57 2.07 -1.24 -1.58 116.25 118.55 2vwu h VAL 871 Ca 0.04 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 2vwu h VAL 871 Cb 0.15 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 2vwu h VAL 871 CO -0.00 0.18 0.29 0.77 0.02 0.00 0.00 177.57 178.83 2vwu h SER 872 N 0.45 0.97 -0.53 0.57 4.64 -1.20 0.73 113.55 119.19 2vwu h SER 872 Ca 0.12 -0.14 0.02 0.00 -0.47 0.00 0.00 61.79 61.33 2vwu h SER 872 Cb 0.13 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 2vwu h SER 872 CO -0.01 0.86 0.33 0.00 -0.87 0.00 0.00 176.83 177.13 2vwu h ALA 873 N 1.28 0.68 -0.50 5.18 0.00 -0.77 -1.62 119.26 123.51 2vwu h ALA 873 Ca 0.24 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 2vwu h ALA 873 Cb 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2vwu h ALA 873 CO -0.02 0.05 -0.12 -0.07 0.00 0.00 0.00 179.25 179.09 2vwu h LEU 874 N 0.66 0.97 -0.80 0.00 3.38 -0.82 -2.51 115.31 116.18 2vwu h LEU 874 Ca 0.21 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.84 2vwu h LEU 874 Cb -0.01 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.43 2vwu h LEU 874 CO -0.08 1.11 0.52 0.44 0.09 0.00 0.00 178.44 180.52 2vwu h ASP 875 N 0.82 0.86 -0.57 -0.43 3.32 -0.71 0.12 116.42 119.84 2vwu h ASP 875 Ca 0.13 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2vwu h ASP 875 Cb 0.69 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 2vwu h ASP 875 CO 0.05 0.59 0.31 0.11 -1.72 0.00 0.00 179.24 178.59 2vwu h LYS 876 N 1.01 0.80 -0.70 3.56 6.56 -1.18 -0.71 116.57 125.91 2vwu h LYS 876 Ca 0.32 -0.09 -0.03 0.00 -1.06 0.00 0.00 60.65 59.79 2vwu h LYS 876 Cb -0.00 -0.16 -0.03 0.00 -0.57 0.00 0.00 32.23 31.47 2vwu h LYS 876 CO -0.11 0.61 0.32 0.52 -2.06 0.00 0.00 179.45 178.73 2vwu h MET 877 N 0.77 1.01 -0.34 3.15 2.86 -0.97 -0.68 114.93 120.73 2vwu h MET 877 Ca 0.20 -0.15 -0.15 0.00 -2.06 0.00 0.00 59.70 57.54 2vwu h MET 877 Cb 0.04 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 2vwu h MET 877 CO -0.03 0.79 -0.39 0.82 1.06 0.00 0.00 176.91 179.16 2vwu h ILE 878 N 1.00 1.28 0.00 -1.22 2.04 -0.64 -2.85 117.51 117.12 2vwu h ILE 878 Ca 0.24 -1.56 -0.16 0.00 1.00 0.00 0.00 64.86 64.38 2vwu h ILE 878 Cb 0.13 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 2vwu h ILE 878 CO -0.03 0.51 -0.75 0.03 0.00 0.00 0.00 178.15 177.91 2vwu h ARG 879 N 0.67 0.00 -2.17 2.37 -0.00 -0.89 -3.35 114.38 111.00 2vwu h ARG 879 Ca 0.06 0.00 -0.59 0.00 -0.50 0.00 0.00 59.98 58.95 2vwu h ARG 879 Cb 0.95 0.00 -0.42 0.00 0.00 0.00 0.00 29.97 30.50 2vwu h ARG 879 CO 0.09 0.75 -0.69 -1.71 0.00 0.00 0.00 179.97 178.41 2vwu n ASN 880 N -3.63 3.31 0.18 7.04 4.05 -0.28 -4.96 115.26 120.97 2vwu n ASN 880 Ca -0.01 -3.37 0.13 0.00 0.45 0.00 0.00 54.58 51.78 2vwu n ASN 880 Cb 0.73 -0.65 0.65 0.00 1.23 0.00 0.00 39.78 41.74 2vwu n ASN 880 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 2vwu h PRO 881 N 3.92 0.00 -0.44 1.20 0.13 -1.64 -1.66 132.00 133.51 2vwu h PRO 881 Ca 0.17 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.39 2vwu h PRO 881 Cb 0.67 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.78 2vwu h PRO 881 CO 0.77 0.00 0.30 0.00 -0.23 0.00 0.00 178.00 178.85 2vwu h ALA 882 N 2.07 2.15 -0.37 -0.56 0.00 -1.93 -1.56 119.26 119.07 2vwu h ALA 882 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.99 2vwu h ALA 882 Cb 0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2vwu h ALA 882 CO 0.00 -0.26 0.26 0.66 0.00 0.00 0.00 179.25 179.91 2vwu h SER 883 N 0.20 0.06 -0.05 0.00 4.64 -1.62 -2.38 113.55 114.40 2vwu h SER 883 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2vwu h SER 883 Cb 0.54 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2vwu h SER 883 CO -0.03 0.04 0.00 0.18 -0.87 0.00 0.00 176.83 176.15 2vwu n LEU 884 N -4.45 0.42 0.03 5.97 4.77 -0.59 -3.89 117.00 119.27 2vwu n LEU 884 Ca 0.05 -0.19 -0.03 0.00 -0.03 0.00 0.00 56.01 55.82 2vwu n LEU 884 Cb 0.39 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.36 2vwu n LEU 884 CO 0.35 0.09 -0.22 0.11 -1.33 0.00 0.00 177.39 176.40 2vwu h LYS 885 N 0.52 0.00 -6.20 3.23 1.79 -1.56 -3.42 116.57 110.94 2vwu h LYS 885 Ca 0.00 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.91 2vwu h LYS 885 Cb 0.12 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.73 2vwu h LYS 885 CO 0.00 0.45 0.90 0.42 -1.08 0.00 0.00 179.45 180.14 2vwu s ILE 886 N -2.81 4.15 0.00 1.86 1.01 -1.25 -5.00 121.20 119.16 2vwu s ILE 886 Ca -0.02 1.41 0.00 0.00 0.00 0.00 0.00 60.65 62.04 2vwu s ILE 886 Cb 0.08 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.65 2vwu s ILE 886 CO 0.81 -0.10 0.45 0.52 0.00 0.00 0.00 174.94 176.62