#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bwq s PHE 726 N 0.00 3.15 0.43 1.08 0.08 -1.26 -5.10 117.98 116.36 2bwq s PHE 726 Ca 0.00 0.05 -0.24 0.00 0.12 0.00 0.00 56.93 56.86 2bwq s PHE 726 Cb 0.00 -1.60 -0.08 0.00 -0.57 0.00 0.00 43.02 40.78 2bwq s PHE 726 CO 0.00 0.51 1.20 -0.51 -0.10 0.00 0.00 175.22 176.32 2bwq s LEU 727 N -2.44 4.11 -0.01 -0.37 1.43 -1.26 -4.96 118.68 115.17 2bwq s LEU 727 Ca 0.29 2.40 0.14 0.00 -1.03 0.00 0.00 54.13 55.94 2bwq s LEU 727 Cb -0.12 -4.10 -0.21 0.00 0.03 0.00 0.00 46.19 41.80 2bwq s LEU 727 CO 0.22 -0.85 0.40 -1.20 0.23 0.00 0.00 176.35 175.15 2bwq n SER 728 N -0.19 1.38 0.00 2.29 7.64 -1.26 -4.40 113.62 119.07 2bwq n SER 728 Ca 0.06 -0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2bwq n SER 728 Cb 0.46 1.47 0.00 0.00 -1.01 0.00 0.00 64.21 65.14 2bwq n SER 728 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bwq n GLY 729 N 1.58 0.26 3.03 0.23 0.00 -1.16 -4.36 105.19 104.75 2bwq n GLY 729 Ca -0.01 -1.96 -0.10 0.00 0.00 0.00 0.00 46.02 43.95 2bwq n GLY 729 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bwq s GLN 730 N -1.36 0.37 0.01 1.61 -0.21 -0.38 -1.60 119.66 118.09 2bwq s GLN 730 Ca 0.00 -0.51 0.04 0.00 0.02 0.00 0.00 55.36 54.91 2bwq s GLN 730 Cb 0.00 0.14 -0.03 0.00 1.00 0.00 0.00 33.01 34.12 2bwq s GLN 730 CO 0.00 -0.07 -0.08 -0.51 -2.12 0.00 0.00 175.29 172.50 2bwq s LEU 731 N -1.38 3.08 -0.26 2.90 1.43 -0.19 -1.07 118.68 123.19 2bwq s LEU 731 Ca -0.15 -0.19 -0.09 0.00 -1.03 0.00 0.00 54.13 52.67 2bwq s LEU 731 Cb -0.09 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 2bwq s LEU 731 CO -0.00 0.28 0.14 -0.55 0.23 0.00 0.00 176.35 176.45 2bwq s SER 732 N -1.41 5.66 -0.01 2.29 0.15 0.25 -0.48 113.70 120.15 2bwq s SER 732 Ca 0.17 -0.08 0.02 0.00 0.70 0.00 0.00 55.95 56.76 2bwq s SER 732 Cb -0.11 -2.04 -0.00 0.00 -1.71 0.00 0.00 66.02 62.16 2bwq s SER 732 CO 0.07 -0.03 -0.07 -0.63 1.20 0.00 0.00 173.24 173.78 2bwq s ILE 733 N 1.61 0.56 -0.10 6.45 1.01 -0.33 -1.46 121.20 128.94 2bwq s ILE 733 Ca 0.07 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.46 2bwq s ILE 733 Cb -0.15 -0.49 -0.00 0.00 0.01 0.00 0.00 42.46 41.82 2bwq s ILE 733 CO 0.07 0.17 -0.22 -0.75 0.00 0.00 0.00 174.94 174.22 2bwq s LYS 734 N -0.05 3.05 0.02 2.79 2.20 -0.09 -1.23 119.74 126.44 2bwq s LYS 734 Ca 0.01 -0.84 0.08 0.00 -0.36 0.00 0.00 55.97 54.86 2bwq s LYS 734 Cb -0.04 -2.36 -0.02 0.00 -1.51 0.00 0.00 37.83 33.90 2bwq s LYS 734 CO -0.00 0.22 -0.23 -0.51 -0.36 0.00 0.00 175.35 174.46 2bwq s LEU 735 N 0.26 2.12 -0.19 5.43 1.43 -1.26 -0.39 118.68 126.08 2bwq s LEU 735 Ca -0.15 -0.50 -0.20 0.00 -1.03 0.00 0.00 54.13 52.26 2bwq s LEU 735 Cb -0.17 -1.15 0.05 0.00 0.03 0.00 0.00 46.19 44.95 2bwq s LEU 735 CO 0.08 0.24 0.55 0.86 0.23 0.00 0.00 176.35 178.30 2bwq s TRP 736 N -0.69 -0.59 -0.18 0.29 -0.00 -0.52 -0.77 118.94 116.48 2bwq s TRP 736 Ca 0.09 1.40 -0.05 0.00 -0.00 0.00 0.00 56.10 57.55 2bwq s TRP 736 Cb -0.09 0.21 -0.03 0.00 -0.00 0.00 0.00 33.47 33.57 2bwq s TRP 736 CO 0.01 -0.31 -0.01 0.12 -0.00 0.00 0.00 176.95 176.76 2bwq s PHE 737 N 0.14 3.05 -0.67 5.86 5.36 -1.26 -0.28 117.98 130.18 2bwq s PHE 737 Ca -0.01 -0.37 -0.19 0.00 -0.96 0.00 0.00 56.93 55.40 2bwq s PHE 737 Cb -0.04 -2.04 0.11 0.00 -0.34 0.00 0.00 43.02 40.71 2bwq s PHE 737 CO 0.01 -0.15 0.80 0.34 -1.46 0.00 0.00 175.22 174.76 2bwq s ASP 738 N 0.76 6.30 0.51 6.13 -1.08 0.27 -4.93 116.67 124.62 2bwq s ASP 738 Ca -0.00 -1.58 0.30 0.00 -0.52 0.00 0.00 52.55 50.74 2bwq s ASP 738 Cb -0.14 -2.32 1.22 0.00 -1.46 0.00 0.00 42.92 40.22 2bwq s ASP 738 CO 0.02 -1.10 1.93 0.07 0.52 0.00 0.00 175.17 176.62 2bwq h LYS 739 N 9.05 0.00 0.13 4.34 2.10 -1.95 0.13 116.57 130.37 2bwq h LYS 739 Ca -0.20 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.11 2bwq h LYS 739 Cb 1.07 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.39 2bwq h LYS 739 CO 1.08 0.08 -1.80 0.28 -2.00 0.00 0.00 179.45 177.09 2bwq h VAL 740 N 0.00 0.84 -0.00 0.07 2.07 -1.97 -3.36 116.25 113.90 2bwq h VAL 740 Ca -0.00 -2.52 0.00 0.00 0.82 0.00 0.00 66.70 65.00 2bwq h VAL 740 Cb 0.58 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 2bwq h VAL 740 CO 0.01 0.82 -0.35 0.61 0.02 0.00 0.00 177.57 178.69 2bwq n GLY 741 N 1.84 -1.09 3.66 2.17 0.00 -1.13 -4.98 105.19 105.66 2bwq n GLY 741 Ca -0.25 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.23 2bwq n GLY 741 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2bwq n HIS 742 N -1.23 -1.96 -4.13 1.61 -0.00 0.43 -4.90 115.22 105.04 2bwq n HIS 742 Ca 0.08 0.81 -0.15 0.00 -0.00 0.00 0.00 57.72 58.46 2bwq n HIS 742 Cb 0.33 -4.33 -0.14 0.00 -0.00 0.00 0.00 29.99 25.85 2bwq n HIS 742 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 2bwq s GLN 743 N -5.85 0.43 -0.18 -0.41 -0.21 -1.07 -0.67 119.66 111.71 2bwq s GLN 743 Ca 0.07 -0.29 -0.08 0.00 0.02 0.00 0.00 55.36 55.09 2bwq s GLN 743 Cb -0.02 -0.37 -0.04 0.00 1.00 0.00 0.00 33.01 33.58 2bwq s GLN 743 CO 0.81 0.10 0.08 -1.17 -2.12 0.00 0.00 175.29 172.98 2bwq s LEU 744 N -0.39 3.91 -0.22 2.90 1.98 0.05 -0.57 118.68 126.34 2bwq s LEU 744 Ca -0.00 0.13 -0.04 0.00 -2.89 0.00 0.00 54.13 51.33 2bwq s LEU 744 Cb -0.03 -1.99 -0.01 0.00 0.66 0.00 0.00 46.19 44.82 2bwq s LEU 744 CO -0.00 0.20 -0.04 -0.63 -1.89 0.00 0.00 176.35 173.99 2bwq s ILE 745 N 0.22 3.43 -0.20 6.68 -1.09 0.62 -0.79 121.20 130.08 2bwq s ILE 745 Ca 0.05 -0.47 0.01 0.00 -2.23 0.00 0.00 60.65 58.01 2bwq s ILE 745 Cb -0.12 -2.56 0.03 0.00 -1.58 0.00 0.00 42.46 38.23 2bwq s ILE 745 CO 0.00 0.42 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.28 2bwq s VAL 746 N 1.42 2.00 -0.16 2.92 1.01 -0.27 -1.43 120.40 125.89 2bwq s VAL 746 Ca 0.05 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 60.95 2bwq s VAL 746 Cb -0.14 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 2bwq s VAL 746 CO -0.02 0.38 -0.09 -0.89 0.00 0.00 0.00 175.10 174.47 2bwq s THR 747 N 1.28 3.25 -0.30 3.92 2.01 0.48 -0.39 115.64 125.89 2bwq s THR 747 Ca 0.02 -0.57 -0.12 0.00 0.31 0.00 0.00 61.69 61.32 2bwq s THR 747 Cb -0.15 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 2bwq s THR 747 CO -0.11 0.49 0.22 -0.63 -0.69 0.00 0.00 174.62 173.90 2bwq s ILE 748 N 0.71 5.29 -0.18 1.82 -1.09 0.50 -0.91 121.20 127.34 2bwq s ILE 748 Ca -0.04 0.10 -0.15 0.00 -2.23 0.00 0.00 60.65 58.32 2bwq s ILE 748 Cb -0.15 -3.60 -0.09 0.00 -1.58 0.00 0.00 42.46 37.04 2bwq s ILE 748 CO 0.02 0.17 -0.12 0.18 -1.23 0.00 0.00 174.94 173.96 2bwq n LEU 749 N 5.10 1.86 0.00 2.97 4.77 -0.53 -0.92 117.00 130.24 2bwq n LEU 749 Ca -0.13 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 2bwq n LEU 749 Cb 0.51 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 2bwq n LEU 749 CO 0.34 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 2bwq n GLY 750 N 1.49 -0.67 3.25 -0.72 0.00 -1.23 -0.58 105.19 106.74 2bwq n GLY 750 Ca -0.21 -0.97 -0.18 0.00 0.00 0.00 0.00 46.02 44.66 2bwq n GLY 750 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bwq s ALA 751 N -2.00 1.54 0.19 4.61 0.00 -0.36 -0.59 121.76 125.15 2bwq s ALA 751 Ca 0.00 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 50.68 2bwq s ALA 751 Cb 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 2bwq s ALA 751 CO 0.00 0.10 -0.03 -1.59 0.00 0.00 0.00 175.76 174.24 2bwq s LYS 752 N -2.72 1.19 -1.51 0.00 -2.85 -0.23 -3.41 119.74 110.20 2bwq s LYS 752 Ca 0.10 -1.57 -0.03 0.00 -1.00 0.00 0.00 55.97 53.47 2bwq s LYS 752 Cb -0.05 -0.51 0.01 0.00 -2.06 0.00 0.00 37.83 35.22 2bwq s LYS 752 CO 0.03 -0.06 0.31 -0.25 0.10 0.00 0.00 175.35 175.49 2bwq n ASP 753 N -0.30 -5.37 -4.77 0.03 8.00 -1.23 -1.26 116.55 111.66 2bwq n ASP 753 Ca -0.07 -0.14 -0.39 0.00 0.71 0.00 0.00 54.79 54.89 2bwq n ASP 753 Cb 0.63 -4.42 0.01 0.00 -0.02 0.00 0.00 41.12 37.31 2bwq n ASP 753 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2bwq s LEU 754 N -6.30 4.14 0.23 0.64 1.43 -1.02 -2.99 118.68 114.80 2bwq s LEU 754 Ca 0.18 2.72 -0.30 0.00 -1.03 0.00 0.00 54.13 55.70 2bwq s LEU 754 Cb -0.08 -3.97 -0.09 0.00 0.03 0.00 0.00 46.19 42.08 2bwq s LEU 754 CO 0.22 -1.02 1.23 -2.16 0.23 0.00 0.00 176.35 174.85 2bwq s PRO 755 N -2.39 4.47 0.79 1.29 0.04 -1.26 -4.89 135.00 133.05 2bwq s PRO 755 Ca 0.60 1.97 -0.12 0.00 0.04 0.00 0.00 61.00 63.49 2bwq s PRO 755 Cb -0.39 -3.19 0.07 0.00 0.04 0.00 0.00 34.50 31.03 2bwq s PRO 755 CO 0.50 -0.10 1.13 -1.54 0.04 0.00 0.00 177.00 177.04 2bwq s SER 756 N -0.09 4.05 1.04 6.66 1.04 -1.26 -4.80 113.70 120.32 2bwq s SER 756 Ca 0.52 2.06 -0.12 0.00 0.48 0.00 0.00 55.95 58.89 2bwq s SER 756 Cb -0.35 -2.55 0.21 0.00 0.10 0.00 0.00 66.02 63.43 2bwq s SER 756 CO 0.40 -2.35 1.08 -0.13 0.98 0.00 0.00 173.24 173.22 2bwq s ARG 757 N -4.53 0.08 0.43 4.02 0.52 -0.21 -4.85 118.95 114.41 2bwq s ARG 757 Ca 0.66 1.02 0.10 0.00 -0.52 0.00 0.00 55.73 56.99 2bwq s ARG 757 Cb -0.22 -1.66 0.95 0.00 0.52 0.00 0.00 34.95 34.54 2bwq s ARG 757 CO 0.52 -3.11 2.04 0.93 0.02 0.00 0.00 175.30 175.71 2bwq h GLU 758 N -2.19 0.45 -0.13 3.54 4.39 -1.95 0.72 114.58 119.41 2bwq h GLU 758 Ca -0.54 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.13 2bwq h GLU 758 Cb 1.31 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2bwq h GLU 758 CO 0.49 0.30 0.00 -0.40 -1.16 0.00 0.00 179.01 178.24 2bwq n ASP 759 N -4.48 0.69 0.00 1.42 5.68 -1.26 -4.90 116.55 113.70 2bwq n ASP 759 Ca 0.05 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.34 2bwq n ASP 759 Cb 0.17 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 2bwq n ASP 759 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bwq n GLY 760 N 0.70 1.55 3.91 6.12 0.00 0.25 -5.04 105.19 112.68 2bwq n GLY 760 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 2bwq n GLY 760 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bwq s ARG 761 N -0.39 3.47 1.01 1.61 0.52 -1.26 -4.75 118.95 119.17 2bwq s ARG 761 Ca 0.00 0.12 -0.17 0.00 -0.52 0.00 0.00 55.73 55.16 2bwq s ARG 761 Cb 0.00 -2.40 0.23 0.00 0.52 0.00 0.00 34.95 33.30 2bwq s ARG 761 CO 0.00 -0.22 1.32 -1.25 0.02 0.00 0.00 175.30 175.17 2bwq s PRO 762 N -4.72 0.22 0.43 3.54 0.04 -1.26 -1.04 135.00 132.20 2bwq s PRO 762 Ca 0.47 -0.46 0.04 0.00 0.04 0.00 0.00 61.00 61.10 2bwq s PRO 762 Cb -0.10 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.64 2bwq s PRO 762 CO 0.44 -2.69 0.61 1.03 0.04 0.00 0.00 177.00 176.42 2bwq s ARG 763 N -5.89 2.90 -0.73 4.56 1.81 -0.99 -4.70 118.95 115.90 2bwq s ARG 763 Ca 0.75 -0.90 0.04 0.00 -1.72 0.00 0.00 55.73 53.90 2bwq s ARG 763 Cb -0.03 -2.67 0.18 0.00 -0.45 0.00 0.00 34.95 31.98 2bwq s ARG 763 CO 0.54 -0.27 0.57 0.09 -0.68 0.00 0.00 175.30 175.54 2bwq n ASN 764 N -1.95 3.29 -4.82 0.23 3.02 -1.26 -0.94 115.26 112.84 2bwq n ASN 764 Ca 0.04 -3.23 -0.35 0.00 -0.03 0.00 0.00 54.58 51.01 2bwq n ASN 764 Cb 0.59 -0.80 -0.06 0.00 -0.61 0.00 0.00 39.78 38.90 2bwq n ASN 764 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2bwq s PRO 765 N -1.56 4.20 0.06 3.52 0.04 -1.11 -0.67 135.00 139.47 2bwq s PRO 765 Ca 0.27 0.84 -0.02 0.00 0.04 0.00 0.00 61.00 62.12 2bwq s PRO 765 Cb -0.03 -2.74 -0.03 0.00 0.04 0.00 0.00 34.50 31.74 2bwq s PRO 765 CO -0.15 0.32 0.01 1.52 0.04 0.00 0.00 177.00 178.74 2bwq s TYR 766 N -1.66 0.45 -0.08 0.56 -0.85 -0.44 -1.77 117.35 113.55 2bwq s TYR 766 Ca 0.47 -0.98 0.03 0.00 -0.52 0.00 0.00 57.07 56.07 2bwq s TYR 766 Cb -0.15 -0.33 -0.02 0.00 0.38 0.00 0.00 41.96 41.84 2bwq s TYR 766 CO 0.20 -0.41 -0.15 0.08 -1.52 0.00 0.00 175.55 173.75 2bwq s VAL 767 N -3.89 2.96 -0.07 -3.49 1.01 -1.26 -1.18 120.40 114.48 2bwq s VAL 767 Ca 0.06 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.33 2bwq s VAL 767 Cb 0.07 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 2bwq s VAL 767 CO -0.10 0.57 -0.12 -0.75 0.00 0.00 0.00 175.10 174.70 2bwq s LYS 768 N -0.30 2.76 -0.07 2.72 2.20 -0.03 -0.76 119.74 126.26 2bwq s LYS 768 Ca 0.02 -0.65 0.02 0.00 -0.36 0.00 0.00 55.97 55.01 2bwq s LYS 768 Cb -0.13 -2.49 0.01 0.00 -1.51 0.00 0.00 37.83 33.71 2bwq s LYS 768 CO 0.03 0.55 -0.14 0.42 -0.36 0.00 0.00 175.35 175.85 2bwq s ILE 769 N -0.53 1.26 -0.12 5.43 1.01 0.79 -0.93 121.20 128.10 2bwq s ILE 769 Ca 0.07 -0.55 -0.00 0.00 0.00 0.00 0.00 60.65 60.17 2bwq s ILE 769 Cb -0.12 -1.14 -0.02 0.00 0.01 0.00 0.00 42.46 41.20 2bwq s ILE 769 CO 0.02 0.38 -0.11 -0.31 0.00 0.00 0.00 174.94 174.91 2bwq s TYR 770 N 0.63 2.84 -0.50 3.97 2.02 -0.42 -0.72 117.35 125.17 2bwq s TYR 770 Ca -0.15 -0.51 -0.19 0.00 -0.37 0.00 0.00 57.07 55.85 2bwq s TYR 770 Cb -0.16 -1.84 0.06 0.00 -0.40 0.00 0.00 41.96 39.62 2bwq s TYR 770 CO 0.04 -0.12 0.60 0.12 -1.57 0.00 0.00 175.55 174.63 2bwq s PHE 771 N 0.20 3.07 0.17 2.71 5.36 -0.43 -0.42 117.98 128.64 2bwq s PHE 771 Ca -0.07 -0.54 0.04 0.00 -0.96 0.00 0.00 56.93 55.40 2bwq s PHE 771 Cb -0.15 -3.48 -0.04 0.00 -0.34 0.00 0.00 43.02 39.01 2bwq s PHE 771 CO 0.05 -1.00 0.19 -0.51 -1.46 0.00 0.00 175.22 172.49 2bwq s LEU 772 N 2.55 3.97 0.00 6.12 1.43 0.16 -4.66 118.68 128.26 2bwq s LEU 772 Ca 0.14 -0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.18 2bwq s LEU 772 Cb -0.19 -2.56 0.02 0.00 0.03 0.00 0.00 46.19 43.48 2bwq s LEU 772 CO 0.12 0.05 0.08 -0.81 0.23 0.00 0.00 176.35 176.01 2bwq n PRO 773 N -0.51 -0.53 -2.76 1.29 -0.04 -1.26 -1.89 135.00 129.29 2bwq n PRO 773 Ca -0.08 -0.12 -0.02 0.00 -0.04 0.00 0.00 63.50 63.24 2bwq n PRO 773 Cb 0.55 -0.09 -0.02 0.00 -0.04 0.00 0.00 33.50 33.90 2bwq n PRO 773 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2bwq n ASP 774 N -3.08 -4.93 -4.58 3.54 9.92 -1.26 -4.91 116.55 111.25 2bwq n ASP 774 Ca 0.01 1.25 -0.41 0.00 -0.53 0.00 0.00 54.79 55.11 2bwq n ASP 774 Cb 0.04 -4.54 -0.01 0.00 -0.64 0.00 0.00 41.12 35.97 2bwq n ASP 774 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 2bwq s ARG 775 N -1.04 3.76 0.23 -1.24 3.52 -1.26 -4.69 118.95 118.23 2bwq s ARG 775 Ca -0.11 -1.75 0.01 0.00 -0.13 0.00 0.00 55.73 53.75 2bwq s ARG 775 Cb 0.01 -5.47 -0.05 0.00 -1.56 0.00 0.00 34.95 27.87 2bwq s ARG 775 CO 0.63 -2.43 0.08 -1.54 -0.81 0.00 0.00 175.30 171.23 2bwq s SER 776 N 4.63 1.06 0.37 -2.12 1.04 -1.26 -5.05 113.70 112.37 2bwq s SER 776 Ca 0.54 -1.34 0.07 0.00 0.48 0.00 0.00 55.95 55.69 2bwq s SER 776 Cb 0.03 0.18 0.77 0.00 0.10 0.00 0.00 66.02 67.10 2bwq s SER 776 CO 0.05 -0.71 1.97 -0.78 0.98 0.00 0.00 173.24 174.75 2bwq h ASP 777 N 2.47 0.62 -0.62 7.02 3.58 -1.93 0.03 116.42 127.60 2bwq h ASP 777 Ca -0.38 0.00 0.10 0.00 0.42 0.00 0.00 57.03 57.18 2bwq h ASP 777 Cb 1.24 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 42.12 2bwq h ASP 777 CO 0.60 0.41 0.42 0.50 -2.88 0.00 0.00 179.24 178.29 2bwq h LYS 778 N 0.71 0.40 -0.52 0.28 3.11 -1.96 -1.36 116.57 117.23 2bwq h LYS 778 Ca 0.29 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.11 2bwq h LYS 778 Cb 0.24 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.38 2bwq h LYS 778 CO -0.09 0.27 0.00 0.09 -2.81 0.00 0.00 179.45 176.91 2bwq n ASN 779 N -4.47 3.49 -4.67 4.20 3.02 -0.02 -4.94 115.26 111.87 2bwq n ASN 779 Ca 0.10 -1.98 -0.35 0.00 -0.03 0.00 0.00 54.58 52.32 2bwq n ASN 779 Cb 0.39 -0.35 -0.10 0.00 -0.61 0.00 0.00 39.78 39.12 2bwq n ASN 779 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2bwq s LYS 780 N -1.31 3.21 0.03 3.52 2.20 -0.51 -1.31 119.74 125.57 2bwq s LYS 780 Ca 0.42 -0.40 -0.02 0.00 -0.36 0.00 0.00 55.97 55.61 2bwq s LYS 780 Cb 0.23 -2.88 -0.02 0.00 -1.51 0.00 0.00 37.83 33.65 2bwq s LYS 780 CO 0.31 0.60 0.02 1.03 -0.36 0.00 0.00 175.35 176.96 2bwq s ARG 781 N -0.60 0.49 -0.02 4.03 1.81 0.10 -4.97 118.95 119.79 2bwq s ARG 781 Ca 0.10 -0.82 -0.03 0.00 -1.72 0.00 0.00 55.73 53.26 2bwq s ARG 781 Cb -0.12 0.18 0.00 0.00 -0.45 0.00 0.00 34.95 34.57 2bwq s ARG 781 CO 0.02 -0.10 0.08 1.03 -0.68 0.00 0.00 175.30 175.65 2bwq s ARG 782 N -2.51 0.16 0.85 3.54 0.52 -1.26 -0.15 118.95 120.10 2bwq s ARG 782 Ca -0.06 -0.00 -0.12 0.00 -0.52 0.00 0.00 55.73 55.03 2bwq s ARG 782 Cb -0.02 0.07 0.10 0.00 0.52 0.00 0.00 34.95 35.62 2bwq s ARG 782 CO -0.05 -0.03 1.10 0.95 0.02 0.00 0.00 175.30 177.30 2bwq s THR 783 N -0.24 2.79 1.01 0.02 -4.23 0.06 -5.00 115.64 110.05 2bwq s THR 783 Ca -0.03 0.26 -0.12 0.00 -1.18 0.00 0.00 61.69 60.62 2bwq s THR 783 Cb -0.02 -2.88 0.19 0.00 1.34 0.00 0.00 72.50 71.13 2bwq s THR 783 CO 0.00 -0.34 1.08 -0.54 -0.54 0.00 0.00 174.62 174.29 2bwq s LYS 784 N -5.06 0.34 -0.27 3.99 1.02 -1.26 -4.61 119.74 113.89 2bwq s LYS 784 Ca 0.62 1.03 -0.10 0.00 0.02 0.00 0.00 55.97 57.54 2bwq s LYS 784 Cb -0.16 -1.69 -0.04 0.00 -0.52 0.00 0.00 37.83 35.42 2bwq s LYS 784 CO 0.55 -2.93 0.16 0.99 -0.92 0.00 0.00 175.35 173.21 2bwq s THR 785 N -2.68 5.06 0.18 2.17 2.01 -1.26 -4.52 115.64 116.60 2bwq s THR 785 Ca 0.66 0.08 -0.27 0.00 0.31 0.00 0.00 61.69 62.47 2bwq s THR 785 Cb -0.22 -3.40 -0.08 0.00 0.01 0.00 0.00 72.50 68.81 2bwq s THR 785 CO 0.60 0.28 0.84 -0.69 -0.69 0.00 0.00 174.62 174.96 2bwq s VAL 786 N 1.68 4.30 -0.06 3.82 1.01 -0.73 -4.92 120.40 125.50 2bwq s VAL 786 Ca 0.07 1.85 -0.23 0.00 0.00 0.00 0.00 61.98 63.67 2bwq s VAL 786 Cb -0.16 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 2bwq s VAL 786 CO 0.09 0.49 0.70 -0.54 0.00 0.00 0.00 175.10 175.84 2bwq s LYS 787 N -1.02 4.44 -0.90 2.72 1.02 -1.26 -2.76 119.74 121.97 2bwq s LYS 787 Ca 0.38 0.89 -0.05 0.00 0.02 0.00 0.00 55.97 57.21 2bwq s LYS 787 Cb -0.24 -3.44 -0.02 0.00 -0.52 0.00 0.00 37.83 33.61 2bwq s LYS 787 CO 0.28 0.09 0.76 1.63 -0.92 0.00 0.00 175.35 177.19 2bwq n LYS 788 N 3.69 -1.56 -3.78 1.68 5.02 -0.67 -4.97 118.16 117.56 2bwq n LYS 788 Ca -0.02 1.07 -0.10 0.00 -2.02 0.00 0.00 58.31 57.25 2bwq n LYS 788 Cb 0.51 -5.09 -0.05 0.00 -0.02 0.00 0.00 35.03 30.39 2bwq n LYS 788 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2bwq s THR 789 N -3.18 0.06 -0.78 -0.18 -1.32 -0.11 -4.86 115.64 105.27 2bwq s THR 789 Ca 0.20 -0.93 0.06 0.00 -1.21 0.00 0.00 61.69 59.81 2bwq s THR 789 Cb -0.04 -1.53 0.07 0.00 -1.51 0.00 0.00 72.50 69.48 2bwq s THR 789 CO 0.78 -0.26 0.76 0.18 -2.21 0.00 0.00 174.62 173.87 2bwq n LEU 790 N -0.25 1.65 -3.18 9.08 4.77 -1.26 -2.35 117.00 125.45 2bwq n LEU 790 Ca -0.11 -1.11 -0.19 0.00 -0.03 0.00 0.00 56.01 54.56 2bwq n LEU 790 Cb 0.63 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.67 2bwq n LEU 790 CO 0.20 0.35 -0.22 1.21 -1.33 0.00 0.00 177.39 177.60 2bwq n GLU 791 N 0.33 1.04 -2.13 3.23 2.13 -1.26 -2.44 120.64 121.55 2bwq n GLU 791 Ca 0.04 -3.43 -0.37 0.00 0.66 0.00 0.00 57.16 54.06 2bwq n GLU 791 Cb 0.18 -1.67 0.01 0.00 0.27 0.00 0.00 31.44 30.24 2bwq n GLU 791 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2bwq s PRO 792 N -2.30 3.41 -0.21 5.31 0.04 -1.22 -4.78 135.00 135.24 2bwq s PRO 792 Ca 0.40 1.83 -0.00 0.00 0.04 0.00 0.00 61.00 63.27 2bwq s PRO 792 Cb 0.32 -2.20 0.06 0.00 0.04 0.00 0.00 34.50 32.72 2bwq s PRO 792 CO -0.09 -0.86 -0.03 0.15 0.04 0.00 0.00 177.00 176.21 2bwq s LYS 793 N -2.98 1.38 -0.25 4.56 1.02 -1.26 -1.22 119.74 120.99 2bwq s LYS 793 Ca 0.70 -0.79 -0.04 0.00 0.02 0.00 0.00 55.97 55.85 2bwq s LYS 793 Cb -0.30 -2.40 -0.17 0.00 -0.52 0.00 0.00 37.83 34.45 2bwq s LYS 793 CO 0.35 -0.58 -0.19 0.91 -0.92 0.00 0.00 175.35 174.92 2bwq n TRP 794 N 4.79 0.17 -3.80 3.18 8.01 0.26 -4.98 117.44 125.07 2bwq n TRP 794 Ca -0.11 0.05 -0.24 0.00 -1.31 0.00 0.00 57.50 55.89 2bwq n TRP 794 Cb 0.45 -1.02 0.01 0.00 -2.01 0.00 0.00 31.31 28.74 2bwq n TRP 794 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 2bwq n ASN 795 N -3.61 -1.15 -4.52 -0.99 3.02 -0.45 -4.98 115.26 102.59 2bwq n ASN 795 Ca -0.46 -0.91 -0.33 0.00 -0.03 0.00 0.00 54.58 52.84 2bwq n ASN 795 Cb 0.95 -3.61 -0.12 0.00 -0.61 0.00 0.00 39.78 36.39 2bwq n ASN 795 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2bwq s GLN 796 N -6.19 2.67 -0.19 3.52 -0.21 -0.10 -4.95 119.66 114.21 2bwq s GLN 796 Ca 0.04 -0.63 -0.03 0.00 0.02 0.00 0.00 55.36 54.76 2bwq s GLN 796 Cb -0.01 -2.49 -0.01 0.00 1.00 0.00 0.00 33.01 31.50 2bwq s GLN 796 CO 0.85 0.61 -0.07 0.99 -2.12 0.00 0.00 175.29 175.54 2bwq s THR 797 N -0.69 3.26 0.02 -0.19 2.01 -1.26 -0.37 115.64 118.43 2bwq s THR 797 Ca 0.10 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 61.56 2bwq s THR 797 Cb -0.11 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 2bwq s THR 797 CO 0.01 0.46 0.11 -0.36 -0.69 0.00 0.00 174.62 174.16 2bwq s PHE 798 N 1.06 3.34 -0.14 4.92 0.08 0.47 -4.97 117.98 122.74 2bwq s PHE 798 Ca 0.00 0.20 -0.00 0.00 0.12 0.00 0.00 56.93 57.26 2bwq s PHE 798 Cb -0.15 -1.73 0.03 0.00 -0.57 0.00 0.00 43.02 40.61 2bwq s PHE 798 CO -0.01 0.56 -0.10 0.42 -0.10 0.00 0.00 175.22 176.00 2bwq s ILE 799 N -1.31 1.26 -0.19 0.64 1.01 -1.26 -1.11 121.20 120.24 2bwq s ILE 799 Ca 0.27 -0.48 -0.06 0.00 0.00 0.00 0.00 60.65 60.37 2bwq s ILE 799 Cb -0.12 -1.26 -0.03 0.00 0.01 0.00 0.00 42.46 41.06 2bwq s ILE 799 CO 0.19 0.36 0.03 -0.31 0.00 0.00 0.00 174.94 175.21 2bwq s TYR 800 N 1.61 3.13 -0.09 3.97 2.02 0.03 -4.97 117.35 123.05 2bwq s TYR 800 Ca 0.04 -0.18 -0.18 0.00 -0.37 0.00 0.00 57.07 56.38 2bwq s TYR 800 Cb -0.13 -2.07 0.04 0.00 -0.40 0.00 0.00 41.96 39.40 2bwq s TYR 800 CO -0.09 -0.03 0.44 0.45 -1.57 0.00 0.00 175.55 174.74 2bwq s SER 801 N 0.66 -0.40 0.33 2.29 0.15 -1.26 -0.77 113.70 114.71 2bwq s SER 801 Ca 0.01 0.57 -0.24 0.00 0.70 0.00 0.00 55.95 56.99 2bwq s SER 801 Cb -0.14 0.63 -0.10 0.00 -1.71 0.00 0.00 66.02 64.71 2bwq s SER 801 CO 0.02 -0.34 0.92 -2.16 1.20 0.00 0.00 173.24 172.88 2bwq s PRO 802 N -0.60 4.49 -0.04 5.44 0.04 -1.26 -5.10 135.00 137.97 2bwq s PRO 802 Ca -0.07 1.24 0.02 0.00 0.04 0.00 0.00 61.00 62.23 2bwq s PRO 802 Cb -0.03 -2.70 0.01 0.00 0.04 0.00 0.00 34.50 31.82 2bwq s PRO 802 CO 0.04 0.24 -0.08 0.08 0.04 0.00 0.00 177.00 177.32 2bwq s VAL 803 N -1.71 0.75 0.09 -0.36 1.01 0.15 -4.99 120.40 115.34 2bwq s VAL 803 Ca 0.52 -0.28 0.08 0.00 0.00 0.00 0.00 61.98 62.30 2bwq s VAL 803 Cb -0.17 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 2bwq s VAL 803 CO 0.22 0.26 -0.19 -1.00 0.00 0.00 0.00 175.10 174.39 2bwq s HIS 804 N 0.62 2.53 0.27 5.22 3.76 -1.26 -4.08 115.29 122.35 2bwq s HIS 804 Ca -0.10 -0.27 -0.01 0.00 -0.15 0.00 0.00 55.06 54.53 2bwq s HIS 804 Cb -0.13 -1.38 0.45 0.00 1.11 0.00 0.00 32.58 32.64 2bwq s HIS 804 CO 0.01 0.34 1.87 -0.09 -0.85 0.00 0.00 174.74 176.02 2bwq h ARG 805 N 4.01 1.09 0.00 1.40 9.65 -1.98 -1.94 114.38 126.62 2bwq h ARG 805 Ca -0.49 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.32 2bwq h ARG 805 Cb 1.16 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 29.50 2bwq h ARG 805 CO 0.46 0.72 0.00 0.07 2.80 0.00 0.00 179.97 184.02 2bwq h ARG 806 N 1.13 0.00 -0.01 0.20 0.11 -2.03 -1.40 114.38 112.38 2bwq h ARG 806 Ca 0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.53 2bwq h ARG 806 Cb 0.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.33 2bwq h ARG 806 CO -0.19 0.00 -0.33 0.39 0.10 0.00 0.00 179.97 179.94 2bwq n GLU 807 N -2.39 0.74 0.11 0.08 1.02 -0.73 -4.50 120.64 114.97 2bwq n GLU 807 Ca -0.01 -0.46 0.03 0.00 -0.02 0.00 0.00 57.16 56.70 2bwq n GLU 807 Cb 0.09 -1.49 0.40 0.00 -0.02 0.00 0.00 31.44 30.42 2bwq n GLU 807 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 2bwq h PHE 808 N 1.12 0.26 0.00 -0.32 -1.00 -1.37 -0.98 116.94 114.65 2bwq h PHE 808 Ca 0.00 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.75 2bwq h PHE 808 Cb 0.53 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.01 2bwq h PHE 808 CO 0.00 0.36 0.00 0.00 -1.61 0.00 0.00 178.31 177.06 2bwq h ARG 809 N 0.24 0.00 -0.14 1.51 3.08 -1.82 -2.60 114.38 114.65 2bwq h ARG 809 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2bwq h ARG 809 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2bwq h ARG 809 CO 0.02 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.31 2bwq n GLU 810 N -2.49 2.23 -4.20 0.04 -0.58 -0.38 -4.94 120.64 110.32 2bwq n GLU 810 Ca 0.00 -2.62 -0.17 0.00 -0.42 0.00 0.00 57.16 53.96 2bwq n GLU 810 Cb 0.17 -1.62 -0.13 0.00 -0.57 0.00 0.00 31.44 29.29 2bwq n GLU 810 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2bwq s ARG 811 N -2.65 0.71 0.03 3.49 1.81 -0.99 -4.15 118.95 117.20 2bwq s ARG 811 Ca 0.35 -0.72 -0.13 0.00 -1.72 0.00 0.00 55.73 53.51 2bwq s ARG 811 Cb 0.29 -0.63 0.02 0.00 -0.45 0.00 0.00 34.95 34.17 2bwq s ARG 811 CO 0.06 0.15 0.29 0.00 -0.68 0.00 0.00 175.30 175.12 2bwq s MET 812 N -1.26 0.75 -0.28 3.54 0.23 -0.79 -1.53 119.30 119.96 2bwq s MET 812 Ca -0.03 -0.44 -0.10 0.00 -1.03 0.00 0.00 55.69 54.09 2bwq s MET 812 Cb -0.08 0.33 -0.03 0.00 -1.53 0.00 0.00 34.83 33.51 2bwq s MET 812 CO 0.01 -0.23 0.15 -0.51 -2.03 0.00 0.00 175.02 172.41 2bwq s LEU 813 N -1.87 3.91 -0.43 0.18 1.43 0.10 -0.66 118.68 121.33 2bwq s LEU 813 Ca -0.07 -0.21 -0.17 0.00 -1.03 0.00 0.00 54.13 52.65 2bwq s LEU 813 Cb -0.02 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.19 2bwq s LEU 813 CO -0.01 -0.09 0.41 -0.70 0.23 0.00 0.00 176.35 176.19 2bwq s GLU 814 N 1.68 3.05 -0.24 1.70 2.12 0.44 -0.89 118.70 126.57 2bwq s GLU 814 Ca 0.06 -0.90 -0.04 0.00 0.36 0.00 0.00 54.97 54.45 2bwq s GLU 814 Cb -0.16 -4.00 0.00 0.00 0.26 0.00 0.00 34.13 30.23 2bwq s GLU 814 CO 0.08 -0.87 -0.02 0.42 -0.54 0.00 0.00 175.26 174.32 2bwq s ILE 815 N 2.01 3.41 0.04 -3.70 1.01 -0.07 -1.30 121.20 122.59 2bwq s ILE 815 Ca 0.10 -0.63 0.07 0.00 0.00 0.00 0.00 60.65 60.18 2bwq s ILE 815 Cb -0.18 -2.63 -0.02 0.00 0.01 0.00 0.00 42.46 39.63 2bwq s ILE 815 CO 0.12 0.31 -0.19 0.42 0.00 0.00 0.00 174.94 175.60 2bwq s THR 816 N 1.46 1.52 -0.03 2.92 -4.23 -0.10 -0.25 115.64 116.92 2bwq s THR 816 Ca 0.04 -1.11 0.03 0.00 -1.18 0.00 0.00 61.69 59.48 2bwq s THR 816 Cb -0.15 -1.32 -0.03 0.00 1.34 0.00 0.00 72.50 72.33 2bwq s THR 816 CO -0.02 0.18 -0.12 -0.22 -0.54 0.00 0.00 174.62 173.90 2bwq s LEU 817 N -1.09 2.90 0.02 4.79 2.96 -0.37 -0.85 118.68 127.04 2bwq s LEU 817 Ca 0.06 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 2bwq s LEU 817 Cb -0.08 -1.63 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 2bwq s LEU 817 CO 0.01 0.33 -0.05 0.26 -1.32 0.00 0.00 176.35 175.58 2bwq s TRP 818 N -0.83 0.42 -0.31 5.38 0.52 -0.33 -0.09 118.94 123.71 2bwq s TRP 818 Ca 0.13 -0.35 -0.11 0.00 0.02 0.00 0.00 56.10 55.79 2bwq s TRP 818 Cb -0.11 -0.27 -0.03 0.00 -1.15 0.00 0.00 33.47 31.92 2bwq s TRP 818 CO 0.03 -0.08 0.19 0.34 0.02 0.00 0.00 176.95 177.44 2bwq s ASP 819 N -1.01 5.87 -0.66 2.95 2.15 -0.00 -1.33 116.67 124.63 2bwq s ASP 819 Ca -0.08 -0.28 -0.25 0.00 0.43 0.00 0.00 52.55 52.37 2bwq s ASP 819 Cb -0.07 -2.09 0.04 0.00 -0.30 0.00 0.00 42.92 40.51 2bwq s ASP 819 CO -0.00 -0.15 1.11 -1.58 -0.17 0.00 0.00 175.17 174.38 2bwq s GLN 820 N 1.71 3.23 0.29 4.34 2.00 0.16 -1.46 119.66 129.93 2bwq s GLN 820 Ca 0.06 -0.36 -0.03 0.00 -2.00 0.00 0.00 55.36 53.03 2bwq s GLN 820 Cb -0.17 -4.15 -0.01 0.00 0.80 0.00 0.00 33.01 29.48 2bwq s GLN 820 CO 0.09 -1.86 0.38 -1.12 -0.50 0.00 0.00 175.29 172.28 2bwq s SER 828 N 3.45 0.65 -0.02 6.67 0.01 -1.26 -4.37 113.70 118.82 2bwq s SER 828 Ca 0.31 -1.38 0.02 0.00 1.31 0.00 0.00 55.95 56.20 2bwq s SER 828 Cb -0.11 0.58 0.01 0.00 0.21 0.00 0.00 66.02 66.70 2bwq s SER 828 CO 0.16 -1.14 -0.05 -0.70 0.41 0.00 0.00 173.24 171.91 2bwq s GLU 829 N -3.54 0.67 0.04 12.44 2.12 -0.53 -5.11 118.70 124.79 2bwq s GLU 829 Ca 0.32 -0.16 -0.30 0.00 0.36 0.00 0.00 54.97 55.18 2bwq s GLU 829 Cb 0.01 -0.67 -0.05 0.00 0.26 0.00 0.00 34.13 33.68 2bwq s GLU 829 CO 0.17 0.02 1.22 0.12 -0.54 0.00 0.00 175.26 176.26 2bwq s PHE 830 N 0.41 3.34 -0.68 5.30 5.36 -1.26 -0.82 117.98 129.62 2bwq s PHE 830 Ca -0.05 1.23 0.06 0.00 -0.96 0.00 0.00 56.93 57.22 2bwq s PHE 830 Cb -0.09 -3.45 0.12 0.00 -0.34 0.00 0.00 43.02 39.26 2bwq s PHE 830 CO -0.00 -1.42 0.94 1.28 -1.46 0.00 0.00 175.22 174.55 2bwq n LEU 831 N 4.28 2.07 0.00 6.12 4.77 0.87 -4.93 117.00 130.17 2bwq n LEU 831 Ca 0.10 -1.52 0.00 0.00 -0.03 0.00 0.00 56.01 54.56 2bwq n LEU 831 Cb 0.46 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2bwq n LEU 831 CO 0.56 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 2bwq n GLY 832 N 0.23 3.45 3.04 -0.72 0.00 -1.21 -4.72 105.19 105.27 2bwq n GLY 832 Ca 0.05 -1.80 -0.18 0.00 0.00 0.00 0.00 46.02 44.09 2bwq n GLY 832 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bwq s GLU 833 N -2.52 0.73 -0.11 1.61 2.12 -0.16 -1.24 118.70 119.13 2bwq s GLU 833 Ca 0.00 -0.44 0.03 0.00 0.36 0.00 0.00 54.97 54.92 2bwq s GLU 833 Cb 0.00 -0.69 0.01 0.00 0.26 0.00 0.00 34.13 33.71 2bwq s GLU 833 CO 0.00 0.18 -0.19 0.42 -0.54 0.00 0.00 175.26 175.13 2bwq s ILE 834 N -0.44 1.74 -0.25 -3.70 1.01 0.65 -2.36 121.20 117.86 2bwq s ILE 834 Ca 0.02 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.88 2bwq s ILE 834 Cb -0.05 -1.55 0.05 0.00 0.01 0.00 0.00 42.46 40.92 2bwq s ILE 834 CO 0.00 0.49 -0.11 -0.22 0.00 0.00 0.00 174.94 175.10 2bwq s LEU 835 N 0.74 3.18 -0.28 2.97 2.96 -1.26 -0.89 118.68 126.09 2bwq s LEU 835 Ca -0.11 -1.17 -0.04 0.00 -0.22 0.00 0.00 54.13 52.60 2bwq s LEU 835 Cb -0.16 -1.56 0.03 0.00 0.50 0.00 0.00 46.19 44.99 2bwq s LEU 835 CO 0.02 -0.15 0.01 -0.63 -1.32 0.00 0.00 176.35 174.28 2bwq s ILE 836 N 1.18 3.32 0.05 6.68 1.01 -0.07 -4.95 121.20 128.43 2bwq s ILE 836 Ca -0.05 -1.02 -0.31 0.00 0.00 0.00 0.00 60.65 59.28 2bwq s ILE 836 Cb -0.18 -2.77 -0.07 0.00 0.01 0.00 0.00 42.46 39.45 2bwq s ILE 836 CO -0.06 0.05 1.45 -1.61 0.00 0.00 0.00 174.94 174.77 2bwq s GLU 837 N 1.37 4.28 0.50 2.79 0.41 -1.26 -0.72 118.70 126.06 2bwq s GLU 837 Ca -0.01 2.08 0.32 0.00 -0.41 0.00 0.00 54.97 56.96 2bwq s GLU 837 Cb -0.18 -3.47 1.30 0.00 -1.78 0.00 0.00 34.13 30.00 2bwq s GLU 837 CO -0.01 -0.57 1.94 -0.07 -0.49 0.00 0.00 175.26 176.06 2bwq h LEU 838 N 7.87 0.00 -1.35 1.80 3.38 -1.43 -2.59 115.31 123.00 2bwq h LEU 838 Ca -0.40 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.51 2bwq h LEU 838 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2bwq h LEU 838 CO 0.90 0.00 -0.27 -0.08 0.09 0.00 0.00 178.44 179.07 2bwq h GLU 839 N 0.00 0.00 0.00 1.13 4.57 -1.78 -3.05 114.58 115.45 2bwq h GLU 839 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2bwq h GLU 839 Cb 0.49 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 2bwq h GLU 839 CO 0.00 0.27 -0.01 0.25 -1.18 0.00 0.00 179.01 178.34 2bwq n THR 840 N -3.69 1.38 -1.72 0.32 -2.24 -1.14 -5.02 114.28 102.17 2bwq n THR 840 Ca -0.01 -1.56 -0.35 0.00 -2.27 0.00 0.00 64.05 59.86 2bwq n THR 840 Cb 0.39 0.16 0.06 0.00 -2.10 0.00 0.00 70.33 68.84 2bwq n THR 840 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bwq s ALA 841 N -1.85 2.35 -1.25 6.98 0.00 -0.99 -4.91 121.76 122.09 2bwq s ALA 841 Ca 0.15 0.89 -0.19 0.00 0.00 0.00 0.00 51.96 52.80 2bwq s ALA 841 Cb 0.13 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.82 2bwq s ALA 841 CO 0.01 -1.49 1.85 1.28 0.00 0.00 0.00 175.76 177.41 2bwq n LEU 842 N -2.20 4.47 -2.72 0.00 4.77 -1.26 -4.84 117.00 115.22 2bwq n LEU 842 Ca 0.13 -3.66 -0.29 0.00 -0.03 0.00 0.00 56.01 52.16 2bwq n LEU 842 Cb 0.50 -1.71 -0.06 0.00 -2.33 0.00 0.00 43.42 39.82 2bwq n LEU 842 CO 0.46 -0.41 1.89 0.18 -1.33 0.00 0.00 177.39 178.18 2bwq n LEU 843 N 10.04 6.82 -0.83 2.23 4.77 -1.26 -4.37 117.00 134.41 2bwq n LEU 843 Ca 0.48 -4.17 0.07 0.00 -0.03 0.00 0.00 56.01 52.37 2bwq n LEU 843 Cb 0.45 -1.31 0.19 0.00 -2.33 0.00 0.00 43.42 40.43 2bwq n LEU 843 CO 0.76 1.83 0.66 -0.90 -1.33 0.00 0.00 177.39 178.41 2bwq n ASP 844 N 1.45 3.17 -1.87 -1.43 5.68 -1.17 -4.54 116.55 117.84 2bwq n ASP 844 Ca 0.53 -1.98 -0.17 0.00 -0.50 0.00 0.00 54.79 52.67 2bwq n ASP 844 Cb 0.51 -0.29 -0.05 0.00 -1.14 0.00 0.00 41.12 40.15 2bwq n ASP 844 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2bwq n ASP 845 N 0.83 -4.68 -4.59 -1.12 2.03 0.05 -5.00 116.55 104.08 2bwq n ASP 845 Ca 0.15 0.28 -0.29 0.00 0.52 0.00 0.00 54.79 55.45 2bwq n ASP 845 Cb 0.48 -4.10 -0.10 0.00 -0.72 0.00 0.00 41.12 36.68 2bwq n ASP 845 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2bwq s GLU 846 N -4.10 2.16 0.31 -0.67 0.41 -1.26 -4.90 118.70 110.65 2bwq s GLU 846 Ca 0.00 -1.05 -0.29 0.00 -0.41 0.00 0.00 54.97 53.23 2bwq s GLU 846 Cb 0.00 -2.31 -0.10 0.00 -1.78 0.00 0.00 34.13 29.95 2bwq s GLU 846 CO 0.00 0.50 1.16 -1.25 -0.49 0.00 0.00 175.26 175.18 2bwq s PRO 847 N -2.33 4.51 0.04 0.39 0.04 -1.26 -4.23 135.00 132.15 2bwq s PRO 847 Ca 0.22 1.92 0.01 0.00 0.04 0.00 0.00 61.00 63.19 2bwq s PRO 847 Cb -0.11 -3.11 -0.03 0.00 0.04 0.00 0.00 34.50 31.30 2bwq s PRO 847 CO 0.14 0.06 -0.05 -1.01 0.04 0.00 0.00 177.00 176.18 2bwq s HIS 848 N -1.18 0.49 0.00 0.56 3.76 -0.36 -4.95 115.29 113.60 2bwq s HIS 848 Ca 0.47 -0.62 -0.16 0.00 -0.15 0.00 0.00 55.06 54.61 2bwq s HIS 848 Cb -0.34 -0.32 -0.06 0.00 1.11 0.00 0.00 32.58 32.98 2bwq s HIS 848 CO 0.44 -0.17 0.44 -1.58 -0.85 0.00 0.00 174.74 173.02 2bwq s TRP 849 N -1.91 3.72 -0.03 1.40 0.52 -1.26 -1.19 118.94 120.19 2bwq s TRP 849 Ca -0.09 1.02 0.05 0.00 0.02 0.00 0.00 56.10 57.11 2bwq s TRP 849 Cb -0.07 -2.34 -0.01 0.00 -1.15 0.00 0.00 33.47 29.91 2bwq s TRP 849 CO -0.02 0.60 -0.17 0.71 0.02 0.00 0.00 176.95 178.09 2bwq s TYR 850 N -0.94 1.62 0.06 -1.98 1.51 0.36 -4.96 117.35 113.02 2bwq s TYR 850 Ca 0.25 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.61 2bwq s TYR 850 Cb -0.17 -1.07 -0.05 0.00 -0.11 0.00 0.00 41.96 40.56 2bwq s TYR 850 CO 0.14 -0.10 1.07 0.15 -1.11 0.00 0.00 175.55 175.70 2bwq s LYS 851 N -0.16 4.54 0.26 -0.62 1.02 -1.26 -1.02 119.74 122.49 2bwq s LYS 851 Ca 0.01 1.59 -0.30 0.00 0.02 0.00 0.00 55.97 57.29 2bwq s LYS 851 Cb -0.09 -3.39 -0.09 0.00 -0.52 0.00 0.00 37.83 33.74 2bwq s LYS 851 CO 0.01 -0.08 1.11 -0.51 -0.92 0.00 0.00 175.35 174.96 2bwq s LEU 852 N 0.73 4.53 0.00 3.17 1.43 -0.62 -4.76 118.68 123.15 2bwq s LEU 852 Ca 0.53 2.24 0.00 0.00 -1.03 0.00 0.00 54.13 55.88 2bwq s LEU 852 Cb -0.25 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.34 2bwq s LEU 852 CO 0.30 -0.18 0.47 0.00 0.23 0.00 0.00 176.35 177.16