#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qki n ASP 732 N 0.00 4.12 -3.70 1.62 2.03 -1.26 -4.84 116.55 114.52 2qki n ASP 732 Ca 0.00 -2.84 -0.14 0.00 0.52 0.00 0.00 54.79 52.33 2qki n ASP 732 Cb 0.00 -1.67 -0.09 0.00 -0.72 0.00 0.00 41.12 38.64 2qki n ASP 732 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2qki s ILE 733 N 5.26 0.01 0.23 5.18 2.07 -1.26 -0.25 121.20 132.44 2qki s ILE 733 Ca 0.55 -0.07 -0.32 0.00 -1.41 0.00 0.00 60.65 59.41 2qki s ILE 733 Cb 0.07 -0.69 -0.12 0.00 0.13 0.00 0.00 42.46 41.84 2qki s ILE 733 CO 0.05 -0.04 1.64 -0.38 -1.91 0.00 0.00 174.94 174.30 2qki n ILE 734 N 2.44 0.40 -2.15 2.00 5.41 -1.26 -4.95 119.36 121.24 2qki n ILE 734 Ca -0.15 -0.10 -0.41 0.00 1.00 0.00 0.00 62.75 63.09 2qki n ILE 734 Cb 0.57 -1.87 -0.02 0.00 -0.71 0.00 0.00 39.64 37.61 2qki n ILE 734 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qki s ALA 735 N 0.66 3.50 0.55 -1.39 0.00 -1.26 -4.91 121.76 118.90 2qki s ALA 735 Ca 0.72 1.22 0.32 0.00 0.00 0.00 0.00 51.96 54.22 2qki s ALA 735 Cb -0.54 -3.47 1.48 0.00 0.00 0.00 0.00 23.12 20.59 2qki s ALA 735 CO 0.40 -0.60 1.87 1.49 0.00 0.00 0.00 175.76 178.92 2qki h GLU 736 N 3.66 0.00 0.00 0.00 4.22 -1.96 0.35 114.58 120.85 2qki h GLU 736 Ca -0.48 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.96 2qki h GLU 736 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2qki h GLU 736 CO 0.67 0.00 -0.28 0.39 -2.18 0.00 0.00 179.01 177.61 2qki n GLU 737 N -4.16 0.03 -0.69 1.92 4.71 -1.26 -3.05 120.64 118.13 2qki n GLU 737 Ca 0.18 0.01 0.07 0.00 -0.01 0.00 0.00 57.16 57.42 2qki n GLU 737 Cb 0.97 -1.52 0.35 0.00 -1.01 0.00 0.00 31.44 30.22 2qki n GLU 737 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2qki n ASN 738 N -1.57 4.82 -4.00 1.62 3.02 0.12 -4.81 115.26 114.46 2qki n ASN 738 Ca 0.06 -2.62 -0.31 0.00 -0.03 0.00 0.00 54.58 51.68 2qki n ASN 738 Cb 0.35 -0.61 -0.15 0.00 -0.61 0.00 0.00 39.78 38.75 2qki n ASN 738 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2qki s ILE 739 N -2.21 1.78 -0.20 2.41 1.01 -1.17 -4.94 121.20 117.88 2qki s ILE 739 Ca 0.48 -1.29 -0.21 0.00 0.00 0.00 0.00 60.65 59.63 2qki s ILE 739 Cb 0.34 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 2qki s ILE 739 CO 0.18 0.02 0.62 -0.69 0.00 0.00 0.00 174.94 175.07 2qki s VAL 740 N 1.30 5.02 0.48 2.92 1.01 -1.26 -4.96 120.40 124.91 2qki s VAL 740 Ca -0.05 1.17 -0.21 0.00 0.00 0.00 0.00 61.98 62.88 2qki s VAL 740 Cb -0.18 -3.94 -0.08 0.00 0.00 0.00 0.00 36.38 32.18 2qki s VAL 740 CO -0.07 0.11 1.10 -0.44 0.00 0.00 0.00 175.10 175.81 2qki s SER 741 N 1.21 6.20 0.12 3.32 0.01 -1.26 -4.46 113.70 118.84 2qki s SER 741 Ca 0.28 2.12 -0.31 0.00 1.31 0.00 0.00 55.95 59.36 2qki s SER 741 Cb -0.16 -2.58 -0.07 0.00 0.21 0.00 0.00 66.02 63.42 2qki s SER 741 CO 0.10 -0.88 1.25 -0.13 0.41 0.00 0.00 173.24 173.99 2qki s ARG 742 N -2.95 4.42 0.00 12.44 0.52 0.87 -4.85 118.95 129.39 2qki s ARG 742 Ca 0.66 1.89 0.00 0.00 -0.52 0.00 0.00 55.73 57.76 2qki s ARG 742 Cb -0.23 -3.28 0.00 0.00 0.52 0.00 0.00 34.95 31.96 2qki s ARG 742 CO 0.27 -0.26 0.00 -1.13 0.02 0.00 0.00 175.30 174.21 2qki n SER 743 N 3.45 1.04 -4.40 0.23 3.41 -1.26 -1.47 113.62 114.63 2qki n SER 743 Ca 0.08 -0.02 -0.45 0.00 -0.26 0.00 0.00 58.87 58.22 2qki n SER 743 Cb 0.45 0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.61 2qki n SER 743 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2qki s GLU 744 N -0.46 3.44 -0.52 4.33 2.02 -1.26 -4.91 118.70 121.35 2qki s GLU 744 Ca 0.00 -1.79 0.07 0.00 0.02 0.00 0.00 54.97 53.27 2qki s GLU 744 Cb 0.00 -4.60 0.35 0.00 0.10 0.00 0.00 34.13 29.98 2qki s GLU 744 CO 0.00 -1.60 0.92 1.19 0.02 0.00 0.00 175.26 175.79 2qki n PHE 745 N 5.90 3.14 -2.52 1.61 3.72 -1.26 -0.33 117.46 127.72 2qki n PHE 745 Ca 0.12 -3.85 -0.34 0.00 -0.05 0.00 0.00 57.45 53.33 2qki n PHE 745 Cb 0.47 -0.44 -0.03 0.00 -0.94 0.00 0.00 39.48 38.54 2qki n PHE 745 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2qki s PRO 746 N -3.26 3.80 0.30 -1.08 0.04 -1.26 -4.95 135.00 128.58 2qki s PRO 746 Ca 0.46 1.31 0.16 0.00 0.04 0.00 0.00 61.00 62.97 2qki s PRO 746 Cb 0.31 -2.10 0.19 0.00 0.04 0.00 0.00 34.50 32.94 2qki s PRO 746 CO -0.13 -0.42 1.50 0.93 0.04 0.00 0.00 177.00 178.92 2qki h GLU 747 N 1.47 0.00 -3.88 4.56 5.08 -2.05 -3.46 114.58 116.30 2qki h GLU 747 Ca -0.49 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.78 2qki h GLU 747 Cb 1.22 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.32 2qki h GLU 747 CO 0.59 0.49 -0.42 -1.54 -1.00 0.00 0.00 179.01 177.13 2qki s SER 748 N -6.45 0.18 0.00 1.42 1.04 -1.26 -5.09 113.70 103.54 2qki s SER 748 Ca 0.03 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.75 2qki s SER 748 Cb 0.08 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2qki s SER 748 CO 0.73 -0.71 0.00 -2.67 0.98 0.00 0.00 173.24 171.57 2qki n TRP 749 N -0.04 -0.40 -2.86 5.02 4.27 -1.26 -4.99 117.44 117.18 2qki n TRP 749 Ca -0.15 0.00 -0.20 0.00 -3.89 0.00 0.00 57.50 53.26 2qki n TRP 749 Cb 0.62 0.00 0.01 0.00 -1.36 0.00 0.00 31.31 30.58 2qki n TRP 749 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 2qki n LEU 750 N 0.00 -1.92 -4.57 5.67 7.94 -1.26 -4.84 117.00 118.02 2qki n LEU 750 Ca 0.00 -0.15 -0.35 0.00 -1.11 0.00 0.00 56.01 54.39 2qki n LEU 750 Cb 0.00 -2.57 -0.03 0.00 0.53 0.00 0.00 43.42 41.35 2qki n LEU 750 CO 0.00 0.05 1.74 1.87 -1.11 0.00 0.00 177.39 179.94 2qki n TRP 751 N -4.02 3.66 -4.37 1.96 -0.00 -1.26 -4.90 117.44 108.51 2qki n TRP 751 Ca -0.12 -2.13 -0.24 0.00 -0.00 0.00 0.00 57.50 55.01 2qki n TRP 751 Cb 0.61 -2.63 -0.11 0.00 -0.00 0.00 0.00 31.31 29.18 2qki n TRP 751 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 2qki s ASN 752 N 5.37 3.01 -0.08 5.87 0.02 -1.26 -5.14 114.94 122.73 2qki s ASN 752 Ca 0.61 -0.87 0.04 0.00 -1.02 0.00 0.00 52.86 51.62 2qki s ASN 752 Cb 0.02 -0.20 0.00 0.00 0.02 0.00 0.00 41.25 41.09 2qki s ASN 752 CO 0.11 0.03 -0.19 0.54 0.02 0.00 0.00 177.10 177.60 2qki s VAL 753 N -1.93 1.68 -0.00 1.60 0.11 -1.26 -5.10 120.40 115.49 2qki s VAL 753 Ca 0.18 -0.81 0.01 0.00 -2.93 0.00 0.00 61.98 58.43 2qki s VAL 753 Cb -0.06 -1.46 0.00 0.00 -1.53 0.00 0.00 36.38 33.32 2qki s VAL 753 CO 0.08 0.47 -0.02 -1.61 -3.33 0.00 0.00 175.10 170.69 2qki s GLU 754 N 0.34 0.21 -0.13 1.54 0.41 -1.26 -5.15 118.70 114.66 2qki s GLU 754 Ca -0.14 -0.08 -0.06 0.00 -0.41 0.00 0.00 54.97 54.28 2qki s GLU 754 Cb -0.16 -0.22 -0.04 0.00 -1.78 0.00 0.00 34.13 31.93 2qki s GLU 754 CO 0.06 0.04 0.08 -0.51 -0.49 0.00 0.00 175.26 174.44 2qki s ASP 755 N 0.02 5.84 -1.15 -0.19 1.11 -1.26 -5.03 116.67 116.01 2qki s ASP 755 Ca 0.00 0.25 -0.18 0.00 0.18 0.00 0.00 52.55 52.80 2qki s ASP 755 Cb -0.02 -1.88 0.10 0.00 1.07 0.00 0.00 42.92 42.19 2qki s ASP 755 CO -0.00 0.31 1.50 -0.76 1.18 0.00 0.00 175.17 177.40 2qki s LEU 756 N -0.47 4.21 -0.13 1.23 1.43 -1.26 -4.78 118.68 118.92 2qki s LEU 756 Ca 0.10 -2.25 -0.23 0.00 -1.03 0.00 0.00 54.13 50.73 2qki s LEU 756 Cb -0.12 -2.51 -0.26 0.00 0.03 0.00 0.00 46.19 43.33 2qki s LEU 756 CO 0.02 -1.15 0.64 0.11 0.23 0.00 0.00 176.35 176.20 2qki h LYS 757 N 8.26 0.12 -3.66 1.70 1.57 -1.96 -3.48 116.57 119.11 2qki h LYS 757 Ca 0.31 -0.20 -0.50 0.00 -1.87 0.00 0.00 60.65 58.39 2qki h LYS 757 Cb 0.93 0.07 0.02 0.00 0.08 0.00 0.00 32.23 33.34 2qki h LYS 757 CO 1.35 1.09 0.19 0.39 -0.57 0.00 0.00 179.45 181.90 2qki n GLU 758 N -4.32 0.00 -1.66 3.15 4.71 -1.26 -4.79 120.64 116.46 2qki n GLU 758 Ca -0.18 0.00 -0.57 0.00 -0.01 0.00 0.00 57.16 56.40 2qki n GLU 758 Cb 0.68 -0.92 -0.07 0.00 -1.01 0.00 0.00 31.44 30.13 2qki n GLU 758 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 2qki n PRO 759 N 1.53 0.98 -2.23 3.49 -0.02 -1.26 -4.69 135.00 132.80 2qki n PRO 759 Ca 0.15 0.36 -0.38 0.00 -2.02 0.00 0.00 63.50 61.60 2qki n PRO 759 Cb 0.01 -2.00 -0.01 0.00 -0.02 0.00 0.00 33.50 31.48 2qki n PRO 759 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2qki s PRO 760 N 2.20 3.97 -0.31 0.52 0.04 -1.26 -4.82 135.00 135.33 2qki s PRO 760 Ca 0.94 1.90 -0.02 0.00 0.04 0.00 0.00 61.00 63.86 2qki s PRO 760 Cb -1.08 -2.64 0.05 0.00 0.04 0.00 0.00 34.50 30.87 2qki s PRO 760 CO 0.60 -0.41 0.01 0.15 0.04 0.00 0.00 177.00 177.39 2qki s LYS 761 N -2.36 2.40 -0.68 4.56 1.02 -0.56 -4.59 119.74 119.53 2qki s LYS 761 Ca 0.58 -1.30 -0.03 0.00 0.02 0.00 0.00 55.97 55.24 2qki s LYS 761 Cb -0.32 -3.21 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 2qki s LYS 761 CO 0.40 -0.65 0.41 0.09 -0.92 0.00 0.00 175.35 174.68 2qki n ASN 762 N 4.62 -3.84 0.00 2.83 3.02 -1.26 -3.34 115.26 117.29 2qki n ASN 762 Ca -0.12 -0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.24 2qki n ASN 762 Cb 0.43 -2.58 0.00 0.00 -0.61 0.00 0.00 39.78 37.02 2qki n ASN 762 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qki n GLY 763 N -1.15 2.02 3.66 7.41 0.00 -1.26 -4.96 105.19 110.91 2qki n GLY 763 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 2qki n GLY 763 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qki s ILE 764 N -1.14 5.08 -0.17 -0.61 1.01 -1.21 -4.89 121.20 119.28 2qki s ILE 764 Ca 0.00 1.02 -0.08 0.00 0.00 0.00 0.00 60.65 61.59 2qki s ILE 764 Cb 0.00 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 2qki s ILE 764 CO 0.00 0.16 0.11 -0.44 0.00 0.00 0.00 174.94 174.77 2qki s SER 765 N 1.16 6.04 -0.36 3.58 0.01 -1.26 -1.49 113.70 121.38 2qki s SER 765 Ca 0.25 0.25 -0.07 0.00 1.31 0.00 0.00 55.95 57.69 2qki s SER 765 Cb -0.16 -2.01 0.05 0.00 0.21 0.00 0.00 66.02 64.11 2qki s SER 765 CO 0.10 0.25 0.14 -0.89 0.41 0.00 0.00 173.24 173.25 2qki s THR 766 N -0.08 3.92 -0.06 1.44 2.01 -1.26 -5.03 115.64 116.57 2qki s THR 766 Ca 0.09 -1.18 -0.20 0.00 0.31 0.00 0.00 61.69 60.71 2qki s THR 766 Cb -0.12 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 2qki s THR 766 CO 0.00 -0.26 0.56 -0.75 -0.69 0.00 0.00 174.62 173.49 2qki s LYS 767 N 1.41 4.34 -0.03 4.92 2.20 -1.26 -4.89 119.74 126.42 2qki s LYS 767 Ca -0.00 0.64 -0.03 0.00 -0.36 0.00 0.00 55.97 56.21 2qki s LYS 767 Cb -0.20 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 2qki s LYS 767 CO 0.03 0.23 0.16 -0.51 -0.36 0.00 0.00 175.35 174.90 2qki s LEU 768 N 0.33 4.33 -0.03 5.43 1.43 -1.26 -5.10 118.68 123.81 2qki s LEU 768 Ca 0.30 0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 53.75 2qki s LEU 768 Cb -0.17 -2.46 0.03 0.00 0.03 0.00 0.00 46.19 43.62 2qki s LEU 768 CO 0.14 0.30 0.03 -0.32 0.23 0.00 0.00 176.35 176.73 2qki s MET 769 N -1.71 0.14 -0.52 1.70 1.75 -1.26 -5.10 119.30 114.30 2qki s MET 769 Ca 0.24 0.20 -0.16 0.00 -1.25 0.00 0.00 55.69 54.72 2qki s MET 769 Cb -0.12 -0.48 0.11 0.00 2.84 0.00 0.00 34.83 37.17 2qki s MET 769 CO 0.15 -0.22 0.48 1.21 -0.65 0.00 0.00 175.02 175.99 2qki s ASN 770 N 1.47 6.18 0.23 1.11 3.84 -1.26 -5.05 114.94 121.45 2qki s ASN 770 Ca -0.04 -1.59 0.07 0.00 0.21 0.00 0.00 52.86 51.52 2qki s ASN 770 Cb -0.13 -2.21 -0.04 0.00 -0.55 0.00 0.00 41.25 38.33 2qki s ASN 770 CO -0.03 -0.80 0.13 0.27 -2.79 0.00 0.00 177.10 173.88 2qki s ILE 771 N 1.70 4.21 -0.18 -5.21 -4.36 -1.26 -5.12 121.20 110.98 2qki s ILE 771 Ca 0.04 -1.43 -0.01 0.00 -0.26 0.00 0.00 60.65 59.00 2qki s ILE 771 Cb -0.27 -3.23 0.00 0.00 1.25 0.00 0.00 42.46 40.21 2qki s ILE 771 CO 0.05 -0.28 -0.13 -0.36 0.24 0.00 0.00 174.94 174.45 2qki s PHE 772 N -2.05 2.83 0.44 1.37 0.40 -1.26 -5.10 117.98 114.61 2qki s PHE 772 Ca 0.32 -1.13 -0.25 0.00 -0.60 0.00 0.00 56.93 55.27 2qki s PHE 772 Cb -0.08 -1.95 -0.08 0.00 0.51 0.00 0.00 43.02 41.42 2qki s PHE 772 CO 0.23 -0.55 1.27 -0.51 0.70 0.00 0.00 175.22 176.35 2qki s LEU 773 N 1.07 4.11 0.00 -0.37 1.43 -1.26 -5.02 118.68 118.64 2qki s LEU 773 Ca -0.00 2.56 -0.20 0.00 -1.03 0.00 0.00 54.13 55.45 2qki s LEU 773 Cb -0.15 -4.05 0.30 0.00 0.03 0.00 0.00 46.19 42.33 2qki s LEU 773 CO -0.04 -0.96 1.01 0.29 0.23 0.00 0.00 176.35 176.88 2qki n LYS 774 N -0.19 -3.32 0.02 1.70 4.76 -1.26 -4.97 118.16 114.89 2qki n LYS 774 Ca 0.06 -1.62 0.12 0.00 -2.87 0.00 0.00 58.31 54.00 2qki n LYS 774 Cb 0.45 -1.60 0.25 0.00 -1.84 0.00 0.00 35.03 32.30 2qki n LYS 774 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2qki n ASP 775 N -4.93 0.52 -4.76 4.39 9.92 0.55 -4.93 116.55 117.32 2qki n ASP 775 Ca 0.14 -0.05 -0.39 0.00 -0.53 0.00 0.00 54.79 53.96 2qki n ASP 775 Cb 0.56 0.16 0.01 0.00 -0.64 0.00 0.00 41.12 41.21 2qki n ASP 775 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2qki s SER 776 N -3.43 5.87 -0.66 -2.24 0.01 -1.22 -4.95 113.70 107.08 2qki s SER 776 Ca 0.10 2.67 -0.14 0.00 1.31 0.00 0.00 55.95 59.88 2qki s SER 776 Cb 0.16 -2.63 0.17 0.00 0.21 0.00 0.00 66.02 63.93 2qki s SER 776 CO 0.69 -1.15 0.60 -0.63 0.41 0.00 0.00 173.24 173.16 2qki s ILE 777 N -1.32 5.29 0.00 1.44 1.01 -1.26 -4.79 121.20 121.57 2qki s ILE 777 Ca 0.64 -1.97 0.00 0.00 0.00 0.00 0.00 60.65 59.32 2qki s ILE 777 Cb -0.38 -4.34 0.00 0.00 0.01 0.00 0.00 42.46 37.75 2qki s ILE 777 CO 0.47 -0.93 0.00 0.35 0.00 0.00 0.00 174.94 174.83 2qki n THR 778 N 4.64 0.00 -4.40 2.92 -2.24 -1.11 -5.00 114.28 109.09 2qki n THR 778 Ca -0.01 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.43 2qki n THR 778 Cb 0.43 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.53 2qki n THR 778 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2qki s THR 779 N -2.62 3.71 0.04 4.28 2.01 -1.26 -0.31 115.64 121.49 2qki s THR 779 Ca 0.00 -0.42 -0.16 0.00 0.31 0.00 0.00 61.69 61.42 2qki s THR 779 Cb 0.00 -2.62 -0.06 0.00 0.01 0.00 0.00 72.50 69.83 2qki s THR 779 CO 0.00 0.49 0.47 0.26 -0.69 0.00 0.00 174.62 175.15 2qki s TRP 780 N 0.51 3.74 -0.21 4.92 0.52 0.96 -4.94 118.94 124.43 2qki s TRP 780 Ca -0.04 1.08 -0.05 0.00 0.02 0.00 0.00 56.10 57.10 2qki s TRP 780 Cb -0.15 -2.35 -0.02 0.00 -1.15 0.00 0.00 33.47 29.80 2qki s TRP 780 CO 0.03 0.61 0.01 -2.00 0.02 0.00 0.00 176.95 175.61 2qki s GLU 781 N -1.20 3.58 -0.25 4.98 2.12 -1.26 -1.75 118.70 124.92 2qki s GLU 781 Ca 0.27 -0.53 -0.09 0.00 0.36 0.00 0.00 54.97 54.98 2qki s GLU 781 Cb -0.17 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 31.06 2qki s GLU 781 CO 0.16 -0.06 0.13 0.42 -0.54 0.00 0.00 175.26 175.37 2qki s ILE 782 N 1.20 4.93 -0.29 -3.70 1.01 0.24 -4.92 121.20 119.68 2qki s ILE 782 Ca 0.03 0.04 -0.04 0.00 0.00 0.00 0.00 60.65 60.68 2qki s ILE 782 Cb -0.15 -3.31 0.03 0.00 0.01 0.00 0.00 42.46 39.04 2qki s ILE 782 CO 0.01 0.32 0.01 -0.22 0.00 0.00 0.00 174.94 175.06 2qki s LEU 783 N 1.44 3.69 -0.09 2.97 2.96 -1.26 -1.05 118.68 127.35 2qki s LEU 783 Ca 0.06 -0.97 -0.10 0.00 -0.22 0.00 0.00 54.13 52.90 2qki s LEU 783 Cb -0.15 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.74 2qki s LEU 783 CO 0.06 -0.21 0.24 0.00 -1.32 0.00 0.00 176.35 175.13 2qki s ALA 784 N 1.36 3.78 -0.06 5.97 0.00 -1.26 -5.05 121.76 126.49 2qki s ALA 784 Ca -0.01 -0.48 0.02 0.00 0.00 0.00 0.00 51.96 51.49 2qki s ALA 784 Cb -0.18 -2.16 0.02 0.00 0.00 0.00 0.00 23.12 20.80 2qki s ALA 784 CO -0.01 0.50 -0.10 0.08 0.00 0.00 0.00 175.76 176.24 2qki s VAL 785 N -0.85 0.98 0.14 0.00 1.01 -1.26 -2.03 120.40 118.39 2qki s VAL 785 Ca 0.18 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 61.86 2qki s VAL 785 Cb -0.14 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 2qki s VAL 785 CO 0.07 0.32 -0.08 -0.94 0.00 0.00 0.00 175.10 174.47 2qki s SER 786 N 0.82 4.40 -0.04 3.32 1.04 -0.13 -4.98 113.70 118.13 2qki s SER 786 Ca -0.12 -0.46 0.01 0.00 0.48 0.00 0.00 55.95 55.87 2qki s SER 786 Cb -0.15 -0.82 0.02 0.00 0.10 0.00 0.00 66.02 65.17 2qki s SER 786 CO 0.02 0.14 -0.06 -0.32 0.98 0.00 0.00 173.24 174.00 2qki s MET 787 N -2.55 0.89 -0.00 4.02 1.75 -1.26 -1.47 119.30 120.67 2qki s MET 787 Ca 0.24 -0.16 0.03 0.00 -1.25 0.00 0.00 55.69 54.55 2qki s MET 787 Cb -0.10 -0.86 -0.01 0.00 2.84 0.00 0.00 34.83 36.70 2qki s MET 787 CO 0.15 -0.04 -0.09 0.45 -0.65 0.00 0.00 175.02 174.84 2qki s SER 788 N 0.74 1.05 0.22 1.11 0.15 -0.30 -4.97 113.70 111.71 2qki s SER 788 Ca -0.10 -0.18 -0.09 0.00 0.70 0.00 0.00 55.95 56.28 2qki s SER 788 Cb -0.13 -0.11 0.20 0.00 -1.71 0.00 0.00 66.02 64.26 2qki s SER 788 CO 0.01 0.10 1.90 0.44 1.20 0.00 0.00 173.24 176.88 2qki h ASP 789 N 5.86 0.98 0.18 5.45 3.45 -2.01 -1.82 116.42 128.52 2qki h ASP 789 Ca -0.31 -0.03 -0.35 0.00 0.43 0.00 0.00 57.03 56.77 2qki h ASP 789 Cb 1.18 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 39.67 2qki h ASP 789 CO 0.49 0.72 -2.03 0.29 -1.57 0.00 0.00 179.24 177.14 2qki n LYS 790 N -4.48 0.71 -0.00 3.56 5.02 -1.26 -4.60 118.16 117.11 2qki n LYS 790 Ca 0.09 0.24 0.10 0.00 -2.02 0.00 0.00 58.31 56.72 2qki n LYS 790 Cb 0.02 -1.69 -0.13 0.00 -0.02 0.00 0.00 35.03 33.20 2qki n LYS 790 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2qki n LYS 791 N -3.31 0.31 0.00 1.97 4.76 -1.25 -5.08 118.16 115.56 2qki n LYS 791 Ca -0.31 -0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.07 2qki n LYS 791 Cb 1.05 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.75 2qki n LYS 791 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qki n GLY 792 N 1.42 0.25 3.81 0.72 0.00 -0.68 -4.89 105.19 105.83 2qki n GLY 792 Ca 0.01 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 2qki n GLY 792 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2qki s ILE 793 N 0.00 5.41 -0.10 -0.61 2.07 -1.26 -1.15 121.20 125.56 2qki s ILE 793 Ca 0.00 0.30 -0.03 0.00 -1.41 0.00 0.00 60.65 59.51 2qki s ILE 793 Cb 0.00 -3.48 0.04 0.00 0.13 0.00 0.00 42.46 39.15 2qki s ILE 793 CO 0.00 0.53 0.06 0.00 -1.91 0.00 0.00 174.94 173.62 2qki s VAL 795 N 2.09 5.24 0.88 0.00 0.11 -1.26 -0.96 120.40 126.50 2qki s VAL 795 Ca 0.03 0.57 -0.12 0.00 -2.93 0.00 0.00 61.98 59.53 2qki s VAL 795 Cb -0.14 -3.67 0.12 0.00 -1.53 0.00 0.00 36.38 31.16 2qki s VAL 795 CO -0.06 0.27 1.15 0.00 -3.33 0.00 0.00 175.10 173.14 2qki s ALA 796 N 1.27 2.07 0.49 1.54 0.00 -0.86 -5.03 121.76 121.24 2qki s ALA 796 Ca 0.16 -0.56 -0.21 0.00 0.00 0.00 0.00 51.96 51.35 2qki s ALA 796 Cb -0.14 -3.01 -0.07 0.00 0.00 0.00 0.00 23.12 19.89 2qki s ALA 796 CO 0.07 -2.08 1.10 -0.51 0.00 0.00 0.00 175.76 174.34 2qki s ASP 797 N -4.21 6.16 0.59 0.00 -0.00 -1.26 -4.82 116.67 113.12 2qki s ASP 797 Ca 0.63 2.10 -0.18 0.00 -0.00 0.00 0.00 52.55 55.10 2qki s ASP 797 Cb -0.14 -2.58 -0.04 0.00 -0.00 0.00 0.00 42.92 40.17 2qki s ASP 797 CO 0.52 -0.91 1.15 -2.84 -0.00 0.00 0.00 175.17 173.09 2qki s PRO 798 N -3.03 3.10 -0.12 8.23 0.02 -1.26 -4.80 135.00 137.13 2qki s PRO 798 Ca 0.67 1.63 0.03 0.00 0.02 0.00 0.00 61.00 63.35 2qki s PRO 798 Cb -0.22 -1.97 0.01 0.00 0.02 0.00 0.00 34.50 32.34 2qki s PRO 798 CO 0.26 -1.06 -0.20 0.12 -0.33 0.00 0.00 177.00 175.79 2qki s PHE 799 N -1.84 2.43 -0.14 6.54 5.36 -0.21 -4.93 117.98 125.20 2qki s PHE 799 Ca 0.73 -1.16 -0.05 0.00 -0.96 0.00 0.00 56.93 55.49 2qki s PHE 799 Cb -0.25 -1.67 -0.04 0.00 -0.34 0.00 0.00 43.02 40.72 2qki s PHE 799 CO 0.32 -0.53 0.05 -1.21 -1.46 0.00 0.00 175.22 172.39 2qki s GLU 800 N 0.76 3.55 -0.11 10.12 2.02 -1.26 0.83 118.70 134.61 2qki s GLU 800 Ca -0.09 -0.34 0.02 0.00 0.02 0.00 0.00 54.97 54.57 2qki s GLU 800 Cb -0.16 -3.06 0.02 0.00 0.10 0.00 0.00 34.13 31.03 2qki s GLU 800 CO 0.00 0.49 -0.15 0.08 0.02 0.00 0.00 175.26 175.71 2qki s VAL 801 N -0.27 1.52 -0.24 2.63 1.01 -0.72 -4.97 120.40 119.36 2qki s VAL 801 Ca 0.08 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.29 2qki s VAL 801 Cb -0.12 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 2qki s VAL 801 CO 0.02 0.45 0.22 -0.89 0.00 0.00 0.00 175.10 174.90 2qki s THR 802 N 1.04 5.31 -0.21 3.92 2.01 -1.26 -0.03 115.64 126.42 2qki s THR 802 Ca -0.05 0.31 -0.04 0.00 0.31 0.00 0.00 61.69 62.22 2qki s THR 802 Cb -0.15 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 2qki s THR 802 CO -0.03 0.31 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.49 2qki s VAL 803 N 1.23 3.61 0.02 3.82 1.01 0.58 -4.99 120.40 125.69 2qki s VAL 803 Ca 0.10 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.59 2qki s VAL 803 Cb -0.14 -2.64 -0.00 0.00 0.00 0.00 0.00 36.38 33.60 2qki s VAL 803 CO 0.06 0.43 0.13 -0.32 0.00 0.00 0.00 175.10 175.40 2qki s MET 804 N 1.23 0.56 0.04 2.72 0.00 -1.26 -2.76 119.30 119.82 2qki s MET 804 Ca 0.03 -0.56 -0.02 0.00 0.00 0.00 0.00 55.69 55.14 2qki s MET 804 Cb -0.14 0.23 -0.03 0.00 0.00 0.00 0.00 34.83 34.88 2qki s MET 804 CO -0.00 -0.14 -0.01 -0.65 0.00 0.00 0.00 175.02 174.22 2qki s GLN 805 N -2.01 0.54 0.02 4.11 -0.21 -1.26 -5.09 119.66 115.76 2qki s GLN 805 Ca -0.10 -1.00 0.05 0.00 0.02 0.00 0.00 55.36 54.33 2qki s GLN 805 Cb -0.04 0.19 -0.24 0.00 1.00 0.00 0.00 33.01 33.92 2qki s GLN 805 CO -0.01 -0.11 0.89 -0.44 -2.12 0.00 0.00 175.29 173.50 2qki h ASP 806 N 3.57 0.15 -3.08 5.90 3.32 -1.93 -3.43 116.42 120.91 2qki h ASP 806 Ca -0.33 -0.22 -0.65 0.00 0.02 0.00 0.00 57.03 55.85 2qki h ASP 806 Cb 1.17 -0.05 -0.35 0.00 0.22 0.00 0.00 39.33 40.31 2qki h ASP 806 CO 0.58 1.19 -0.85 0.12 -1.72 0.00 0.00 179.24 178.55 2qki s PHE 807 N -2.63 2.57 0.09 4.55 5.36 -1.26 -0.36 117.98 126.30 2qki s PHE 807 Ca -0.05 -1.50 -0.15 0.00 -0.96 0.00 0.00 56.93 54.27 2qki s PHE 807 Cb 0.08 -1.81 0.03 0.00 -0.34 0.00 0.00 43.02 40.98 2qki s PHE 807 CO 0.83 -0.76 0.36 -0.59 -1.46 0.00 0.00 175.22 173.59 2qki s PHE 808 N 1.36 -0.15 -0.08 10.12 -0.12 -1.09 -4.80 117.98 123.22 2qki s PHE 808 Ca 0.05 -0.11 -0.13 0.00 -0.05 0.00 0.00 56.93 56.69 2qki s PHE 808 Cb -0.13 0.18 -0.05 0.00 -0.63 0.00 0.00 43.02 42.39 2qki s PHE 808 CO -0.12 -0.62 0.32 0.42 -0.05 0.00 0.00 175.22 175.17 2qki s ILE 809 N -3.38 5.22 -0.30 -4.49 1.01 -1.26 -0.67 121.20 117.33 2qki s ILE 809 Ca 0.01 0.63 -0.04 0.00 0.00 0.00 0.00 60.65 61.24 2qki s ILE 809 Cb 0.01 -3.63 0.03 0.00 0.01 0.00 0.00 42.46 38.88 2qki s ILE 809 CO -0.09 0.50 0.03 -0.62 0.00 0.00 0.00 174.94 174.77 2qki s ASP 810 N -0.42 4.93 -0.37 3.58 2.15 0.19 -4.92 116.67 121.81 2qki s ASP 810 Ca 0.20 -0.98 -0.13 0.00 0.43 0.00 0.00 52.55 52.07 2qki s ASP 810 Cb -0.14 -1.79 -0.00 0.00 -0.30 0.00 0.00 42.92 40.69 2qki s ASP 810 CO 0.08 -0.22 0.25 -0.22 -0.17 0.00 0.00 175.17 174.89 2qki s LEU 811 N 1.38 4.73 -0.99 -1.34 2.96 -1.26 0.01 118.68 124.17 2qki s LEU 811 Ca -0.01 -0.64 -0.13 0.00 -0.22 0.00 0.00 54.13 53.13 2qki s LEU 811 Cb -0.18 -2.13 0.23 0.00 0.50 0.00 0.00 46.19 44.61 2qki s LEU 811 CO 0.00 -0.32 1.01 -0.13 -1.32 0.00 0.00 176.35 175.59 2qki s ARG 812 N 1.69 3.89 0.26 1.98 1.81 -0.04 -5.03 118.95 123.51 2qki s ARG 812 Ca 0.05 -2.69 -0.12 0.00 -1.72 0.00 0.00 55.73 51.25 2qki s ARG 812 Cb -0.18 -4.60 -0.08 0.00 -0.45 0.00 0.00 34.95 29.64 2qki s ARG 812 CO 0.10 -1.37 0.63 -0.51 -0.68 0.00 0.00 175.30 173.46 2qki s LEU 813 N 0.03 4.14 1.01 2.53 1.43 -1.26 -3.67 118.68 122.89 2qki s LEU 813 Ca 0.27 1.09 -0.14 0.00 -1.03 0.00 0.00 54.13 54.31 2qki s LEU 813 Cb -0.09 -3.81 0.19 0.00 0.03 0.00 0.00 46.19 42.52 2qki s LEU 813 CO -0.08 -0.11 1.14 -2.16 0.23 0.00 0.00 176.35 175.38 2qki s PRO 814 N -2.79 0.36 0.04 1.29 0.04 -1.26 -4.98 135.00 127.70 2qki s PRO 814 Ca 0.49 0.17 -0.26 0.00 0.04 0.00 0.00 61.00 61.45 2qki s PRO 814 Cb -0.11 -1.76 -0.17 0.00 0.04 0.00 0.00 34.50 32.50 2qki s PRO 814 CO 0.20 -2.70 1.49 -0.92 0.04 0.00 0.00 177.00 175.11 2qki h TYR 815 N -1.86 -0.26 -3.99 0.56 3.20 -1.95 -3.44 116.97 109.23 2qki h TYR 815 Ca -0.50 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.26 2qki h TYR 815 Cb 1.31 0.09 -0.14 0.00 1.54 0.00 0.00 36.73 39.53 2qki h TYR 815 CO -0.42 -0.02 -0.46 -1.54 -1.64 0.00 0.00 178.16 174.07 2qki s SER 816 N -5.10 0.21 0.05 -2.11 1.04 -1.26 -2.62 113.70 103.91 2qki s SER 816 Ca -0.15 -0.83 0.02 0.00 0.48 0.00 0.00 55.95 55.47 2qki s SER 816 Cb 0.04 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.45 2qki s SER 816 CO 0.62 -0.73 -0.07 0.68 0.98 0.00 0.00 173.24 174.72 2qki s VAL 817 N -3.91 0.53 0.09 5.02 -7.23 -0.52 -4.96 120.40 109.42 2qki s VAL 817 Ca 0.10 -1.23 -0.21 0.00 -1.81 0.00 0.00 61.98 58.83 2qki s VAL 817 Cb 0.06 -0.79 -0.07 0.00 0.56 0.00 0.00 36.38 36.14 2qki s VAL 817 CO -0.08 -0.49 0.61 -0.69 -0.31 0.00 0.00 175.10 174.15 2qki s VAL 818 N -1.83 4.66 0.23 1.32 1.01 -1.26 -0.68 120.40 123.85 2qki s VAL 818 Ca -0.06 1.32 -0.32 0.00 0.00 0.00 0.00 61.98 62.92 2qki s VAL 818 Cb -0.07 -3.95 -0.12 0.00 0.00 0.00 0.00 36.38 32.24 2qki s VAL 818 CO -0.01 0.55 1.66 -1.14 0.00 0.00 0.00 175.10 176.16 2qki n ARG 819 N 1.69 2.67 -1.00 2.72 0.63 0.52 -2.58 116.66 121.31 2qki n ARG 819 Ca -0.09 0.96 0.00 0.00 -0.92 0.00 0.00 57.85 57.80 2qki n ARG 819 Cb 0.50 -2.77 0.00 0.00 0.45 0.00 0.00 32.46 30.64 2qki n ARG 819 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2qki n ASN 820 N 3.37 -2.68 -4.77 6.15 3.02 0.54 -4.66 115.26 116.23 2qki n ASN 820 Ca 0.14 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.32 2qki n ASN 820 Cb 0.35 -0.48 -0.07 0.00 -0.61 0.00 0.00 39.78 38.97 2qki n ASN 820 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2qki s GLU 821 N -0.03 4.07 0.01 3.52 2.02 -1.07 -4.97 118.70 122.26 2qki s GLU 821 Ca 0.00 0.08 -0.30 0.00 0.02 0.00 0.00 54.97 54.77 2qki s GLU 821 Cb 0.00 -3.36 -0.04 0.00 0.10 0.00 0.00 34.13 30.84 2qki s GLU 821 CO 0.00 0.40 1.06 -1.14 0.02 0.00 0.00 175.26 175.60 2qki s GLN 822 N -0.02 4.50 0.18 1.61 0.74 -1.26 -4.16 119.66 121.24 2qki s GLN 822 Ca 0.17 1.54 0.05 0.00 0.05 0.00 0.00 55.36 57.17 2qki s GLN 822 Cb -0.13 -3.44 -0.05 0.00 1.10 0.00 0.00 33.01 30.50 2qki s GLN 822 CO 0.05 -0.16 -0.09 0.14 -0.55 0.00 0.00 175.29 174.69 2qki s VAL 823 N 1.16 1.25 -0.17 1.34 -7.23 -0.69 -5.01 120.40 111.05 2qki s VAL 823 Ca 0.54 -2.08 -0.02 0.00 -1.81 0.00 0.00 61.98 58.61 2qki s VAL 823 Cb -0.24 -2.01 -0.01 0.00 0.56 0.00 0.00 36.38 34.68 2qki s VAL 823 CO 0.27 -0.62 -0.09 -0.70 -0.31 0.00 0.00 175.10 173.66 2qki s GLU 824 N -3.76 3.40 0.28 4.82 2.12 -1.26 -1.98 118.70 122.32 2qki s GLU 824 Ca 0.21 -0.65 0.09 0.00 0.36 0.00 0.00 54.97 54.98 2qki s GLU 824 Cb 0.03 -2.81 -0.04 0.00 0.26 0.00 0.00 34.13 31.56 2qki s GLU 824 CO 0.04 0.04 0.02 0.96 -0.54 0.00 0.00 175.26 175.77 2qki s ILE 825 N 0.84 3.42 -0.03 -3.70 -4.36 -0.42 -4.97 121.20 111.97 2qki s ILE 825 Ca -0.03 -1.87 0.06 0.00 -0.26 0.00 0.00 60.65 58.56 2qki s ILE 825 Cb -0.15 -2.88 -0.01 0.00 1.25 0.00 0.00 42.46 40.67 2qki s ILE 825 CO 0.01 -0.35 -0.23 -0.13 0.24 0.00 0.00 174.94 174.48 2qki s ARG 826 N -3.70 2.08 -0.30 0.37 1.81 -1.24 -0.86 118.95 117.10 2qki s ARG 826 Ca 0.32 -0.82 -0.03 0.00 -1.72 0.00 0.00 55.73 53.49 2qki s ARG 826 Cb -0.06 -1.89 0.05 0.00 -0.45 0.00 0.00 34.95 32.60 2qki s ARG 826 CO 0.20 0.42 0.01 0.00 -0.68 0.00 0.00 175.30 175.26 2qki s ALA 827 N -0.33 2.85 -0.23 2.13 0.00 -0.10 -0.86 121.76 125.21 2qki s ALA 827 Ca 0.03 -1.74 -0.14 0.00 0.00 0.00 0.00 51.96 50.11 2qki s ALA 827 Cb -0.11 -1.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.99 2qki s ALA 827 CO 0.01 -1.26 0.31 0.08 0.00 0.00 0.00 175.76 174.90 2qki s VAL 828 N 1.28 5.24 -0.21 0.00 1.01 0.10 -0.29 120.40 127.54 2qki s VAL 828 Ca -0.04 0.50 -0.09 0.00 0.00 0.00 0.00 61.98 62.35 2qki s VAL 828 Cb -0.20 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 2qki s VAL 828 CO -0.01 0.26 0.11 -0.76 0.00 0.00 0.00 175.10 174.70 2qki s LEU 829 N 1.43 3.97 -0.09 3.92 1.43 0.17 0.57 118.68 130.09 2qki s LEU 829 Ca 0.14 0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 53.34 2qki s LEU 829 Cb -0.15 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 2qki s LEU 829 CO 0.08 0.14 -0.03 -0.31 0.23 0.00 0.00 176.35 176.45 2qki s TYR 830 N 0.61 3.05 -0.34 0.29 2.02 0.15 -1.40 117.35 121.74 2qki s TYR 830 Ca 0.06 0.07 0.01 0.00 -0.37 0.00 0.00 57.07 56.84 2qki s TYR 830 Cb -0.12 -1.78 0.11 0.00 -0.40 0.00 0.00 41.96 39.77 2qki s TYR 830 CO 0.01 0.36 0.12 1.21 -1.57 0.00 0.00 175.55 175.67 2qki s ASN 831 N -0.72 4.11 -0.21 2.29 2.47 -0.49 -2.67 114.94 119.72 2qki s ASN 831 Ca 0.11 -1.93 0.13 0.00 0.42 0.00 0.00 52.86 51.59 2qki s ASN 831 Cb -0.11 -1.05 0.75 0.00 -1.45 0.00 0.00 41.25 39.39 2qki s ASN 831 CO 0.02 -0.38 1.64 -1.22 -3.72 0.00 0.00 177.10 173.44 2qki n TYR 832 N 4.49 1.90 -2.70 0.43 4.01 0.51 -0.97 117.16 124.83 2qki n TYR 832 Ca 0.01 -0.66 -0.36 0.00 -0.16 0.00 0.00 57.90 56.73 2qki n TYR 832 Cb 0.41 -0.47 -0.06 0.00 -0.31 0.00 0.00 39.34 38.91 2qki n TYR 832 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2qki s ARG 833 N -2.59 4.41 0.06 -0.72 0.52 -1.26 -4.77 118.95 114.61 2qki s ARG 833 Ca 0.50 1.38 -0.15 0.00 -0.52 0.00 0.00 55.73 56.94 2qki s ARG 833 Cb 0.38 -2.66 -0.24 0.00 0.52 0.00 0.00 34.95 32.95 2qki s ARG 833 CO 0.15 0.11 1.17 1.96 0.02 0.00 0.00 175.30 178.71 2qki h GLN 834 N 2.84 0.66 0.00 3.54 7.50 -1.95 -2.37 115.11 125.33 2qki h GLN 834 Ca -0.47 -0.73 -0.14 0.00 0.50 0.00 0.00 58.65 57.81 2qki h GLN 834 Cb 1.20 0.21 -0.02 0.00 0.05 0.00 0.00 27.48 28.92 2qki h GLN 834 CO 0.64 1.31 -1.48 0.09 -1.50 0.00 0.00 178.83 177.88 2qki n ASN 835 N -3.90 2.13 -4.68 1.46 4.13 -1.26 -4.73 115.26 108.42 2qki n ASN 835 Ca -0.11 0.02 -0.42 0.00 1.68 0.00 0.00 54.58 55.75 2qki n ASN 835 Cb 0.87 -0.19 -0.03 0.00 -1.54 0.00 0.00 39.78 38.89 2qki n ASN 835 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2qki s GLN 836 N -2.16 4.17 0.20 3.52 -0.21 -1.26 -4.65 119.66 119.27 2qki s GLN 836 Ca -0.12 2.42 -0.20 0.00 0.02 0.00 0.00 55.36 57.48 2qki s GLN 836 Cb 0.04 -3.81 -0.08 0.00 1.00 0.00 0.00 33.01 30.15 2qki s GLN 836 CO 0.18 -0.83 0.71 -1.83 -2.12 0.00 0.00 175.29 171.39 2qki s GLU 837 N 3.38 4.27 -0.23 2.91 -1.05 -1.26 -3.46 118.70 123.26 2qki s GLU 837 Ca 0.79 0.88 -0.03 0.00 -0.15 0.00 0.00 54.97 56.45 2qki s GLU 837 Cb -0.40 -2.96 0.01 0.00 -0.44 0.00 0.00 34.13 30.33 2qki s GLU 837 CO 0.35 0.44 -0.05 -0.51 0.95 0.00 0.00 175.26 176.44 2qki s LEU 838 N -1.80 3.03 -0.43 1.83 1.43 0.11 -4.93 118.68 117.92 2qki s LEU 838 Ca 0.41 -0.59 -0.27 0.00 -1.03 0.00 0.00 54.13 52.65 2qki s LEU 838 Cb -0.18 -1.71 0.02 0.00 0.03 0.00 0.00 46.19 44.36 2qki s LEU 838 CO 0.21 -0.07 0.99 -0.75 0.23 0.00 0.00 176.35 176.97 2qki s LYS 839 N 1.42 3.71 0.07 1.70 2.20 -1.26 -0.32 119.74 127.27 2qki s LYS 839 Ca 0.04 0.46 0.08 0.00 -0.36 0.00 0.00 55.97 56.19 2qki s LYS 839 Cb -0.15 -3.87 -0.03 0.00 -1.51 0.00 0.00 37.83 32.27 2qki s LYS 839 CO -0.04 -1.16 -0.22 0.54 -0.36 0.00 0.00 175.35 174.11 2qki s VAL 840 N 3.86 1.81 -0.29 4.02 0.11 0.21 -1.20 120.40 128.93 2qki s VAL 840 Ca 0.41 -1.40 -0.07 0.00 -2.93 0.00 0.00 61.98 57.99 2qki s VAL 840 Cb -0.10 -1.60 -0.00 0.00 -1.53 0.00 0.00 36.38 33.15 2qki s VAL 840 CO 0.25 0.13 0.09 -0.60 -3.33 0.00 0.00 175.10 171.64 2qki s ARG 841 N -1.51 3.26 0.09 1.54 3.52 -0.13 -0.11 118.95 125.60 2qki s ARG 841 Ca 0.08 -0.75 0.02 0.00 -0.13 0.00 0.00 55.73 54.95 2qki s ARG 841 Cb -0.09 -3.38 -0.04 0.00 -1.56 0.00 0.00 34.95 29.87 2qki s ARG 841 CO 0.03 -0.38 0.17 0.08 -0.81 0.00 0.00 175.30 174.39 2qki s VAL 842 N 1.54 5.02 -0.15 7.11 1.01 0.70 -2.20 120.40 133.43 2qki s VAL 842 Ca 0.04 -0.61 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 2qki s VAL 842 Cb -0.17 -3.47 0.06 0.00 0.00 0.00 0.00 36.38 32.80 2qki s VAL 842 CO 0.03 0.08 0.37 -0.70 0.00 0.00 0.00 175.10 174.89 2qki s GLU 843 N -2.62 0.35 -0.19 2.72 2.12 -0.21 -0.87 118.70 120.00 2qki s GLU 843 Ca 0.33 0.72 -0.20 0.00 0.36 0.00 0.00 54.97 56.18 2qki s GLU 843 Cb -0.12 -0.04 -0.03 0.00 0.26 0.00 0.00 34.13 34.20 2qki s GLU 843 CO 0.26 -0.16 0.61 -1.17 -0.54 0.00 0.00 175.26 174.26 2qki s LEU 844 N 1.34 4.15 0.35 2.70 2.96 -0.94 -1.70 118.68 127.54 2qki s LEU 844 Ca -0.09 0.81 -0.25 0.00 -0.22 0.00 0.00 54.13 54.38 2qki s LEU 844 Cb -0.09 -2.86 -0.10 0.00 0.50 0.00 0.00 46.19 43.65 2qki s LEU 844 CO -0.12 -0.25 0.97 -0.76 -1.32 0.00 0.00 176.35 174.87 2qki s LEU 845 N 1.80 4.26 0.12 -0.68 1.02 -0.29 -4.22 118.68 120.70 2qki s LEU 845 Ca 0.28 1.86 -0.31 0.00 0.02 0.00 0.00 54.13 55.98 2qki s LEU 845 Cb -0.16 -4.10 -0.09 0.00 0.02 0.00 0.00 46.19 41.87 2qki s LEU 845 CO 0.10 -0.17 1.47 -2.28 0.02 0.00 0.00 176.35 175.49 2qki s HIS 846 N -1.68 3.11 -0.11 0.29 5.65 -1.26 -4.69 115.29 116.59 2qki s HIS 846 Ca 0.53 0.79 -0.01 0.00 0.25 0.00 0.00 55.06 56.62 2qki s HIS 846 Cb -0.18 -3.78 0.03 0.00 -1.18 0.00 0.00 32.58 27.46 2qki s HIS 846 CO 0.23 -2.84 -0.04 1.21 -0.65 0.00 0.00 174.74 172.65 2qki s ASN 847 N 1.24 2.08 0.05 9.88 3.84 -1.26 -5.02 114.94 125.76 2qki s ASN 847 Ca 0.67 -0.29 0.08 0.00 0.21 0.00 0.00 52.86 53.53 2qki s ASN 847 Cb -0.39 -0.71 0.37 0.00 -0.55 0.00 0.00 41.25 39.97 2qki s ASN 847 CO 0.30 -0.16 1.25 -2.65 -2.79 0.00 0.00 177.10 173.06 2qki n PRO 848 N 5.01 0.03 0.00 0.43 -0.02 -1.26 -0.33 135.00 138.86 2qki n PRO 848 Ca -0.11 0.44 0.12 0.00 -2.02 0.00 0.00 63.50 61.94 2qki n PRO 848 Cb 0.50 -1.58 0.58 0.00 -0.02 0.00 0.00 33.50 32.98 2qki n PRO 848 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qki n ALA 849 N -1.55 2.21 -2.70 3.55 0.00 -1.26 -4.83 120.51 115.93 2qki n ALA 849 Ca 0.01 -0.10 -0.18 0.00 0.00 0.00 0.00 53.44 53.17 2qki n ALA 849 Cb 0.06 -1.42 -0.12 0.00 0.00 0.00 0.00 19.45 17.98 2qki n ALA 849 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2qki s PHE 850 N -2.86 1.18 -0.19 0.00 0.08 0.56 -0.74 117.98 116.00 2qki s PHE 850 Ca 0.16 -0.44 -0.11 0.00 0.12 0.00 0.00 56.93 56.67 2qki s PHE 850 Cb 0.17 -0.67 -0.05 0.00 -0.57 0.00 0.00 43.02 41.90 2qki s PHE 850 CO 0.44 0.04 0.17 0.00 -0.10 0.00 0.00 175.22 175.78 2qki n SER 852 N 3.51 -0.32 -0.12 0.00 3.41 -1.26 -0.07 113.62 118.77 2qki n SER 852 Ca -0.15 -1.28 0.15 0.00 -0.26 0.00 0.00 58.87 57.33 2qki n SER 852 Cb 0.52 0.55 0.69 0.00 -0.26 0.00 0.00 64.21 65.71 2qki n SER 852 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qki n LEU 853 N 0.00 0.44 -4.64 1.04 4.77 -1.26 -4.69 117.00 112.65 2qki n LEU 853 Ca -0.01 -0.02 -0.41 0.00 -0.03 0.00 0.00 56.01 55.54 2qki n LEU 853 Cb 0.10 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.00 2qki n LEU 853 CO 0.05 0.08 0.52 0.00 -1.33 0.00 0.00 177.39 176.70 2qki s ALA 854 N -2.32 3.60 0.52 -1.18 0.00 -1.26 -4.56 121.76 116.57 2qki s ALA 854 Ca 0.34 -0.23 0.04 0.00 0.00 0.00 0.00 51.96 52.12 2qki s ALA 854 Cb 0.21 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 20.20 2qki s ALA 854 CO 0.43 -0.80 0.28 0.95 0.00 0.00 0.00 175.76 176.63 2qki s THR 855 N 2.50 1.57 0.20 0.00 -4.23 -0.49 -4.74 115.64 110.45 2qki s THR 855 Ca 0.32 -1.64 -0.11 0.00 -1.18 0.00 0.00 61.69 59.08 2qki s THR 855 Cb -0.16 -2.21 0.12 0.00 1.34 0.00 0.00 72.50 71.59 2qki s THR 855 CO 0.09 0.00 1.81 0.74 -0.54 0.00 0.00 174.62 176.71 2qki h THR 856 N 0.96 0.98 -0.37 3.99 2.02 -1.97 -3.15 112.91 115.37 2qki h THR 856 Ca -0.39 -0.22 -0.14 0.00 0.77 0.00 0.00 66.41 66.43 2qki h THR 856 Cb 1.30 0.29 -0.08 0.00 -1.74 0.00 0.00 68.15 67.92 2qki h THR 856 CO 0.63 0.12 0.01 0.29 0.37 0.00 0.00 175.52 176.93 2qki n LYS 857 N -4.80 2.29 -3.66 6.66 5.02 -1.26 -4.95 118.16 117.46 2qki n LYS 857 Ca 0.07 -3.04 -0.06 0.00 -2.02 0.00 0.00 58.31 53.25 2qki n LYS 857 Cb 0.14 -1.86 -0.07 0.00 -0.02 0.00 0.00 35.03 33.23 2qki n LYS 857 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2qki s ARG 858 N -3.09 0.55 0.12 1.97 3.52 -1.19 -5.16 118.95 115.67 2qki s ARG 858 Ca 0.45 1.20 -0.23 0.00 -0.13 0.00 0.00 55.73 57.02 2qki s ARG 858 Cb 0.39 0.39 -0.07 0.00 -1.56 0.00 0.00 34.95 34.09 2qki s ARG 858 CO 0.04 -0.18 0.69 1.03 -0.81 0.00 0.00 175.30 176.06 2qki s ARG 859 N 2.18 4.41 -1.06 5.12 0.52 -1.26 -1.39 118.95 127.46 2qki s ARG 859 Ca -0.07 0.97 -0.08 0.00 -0.52 0.00 0.00 55.73 56.03 2qki s ARG 859 Cb -0.09 -3.26 0.26 0.00 0.52 0.00 0.00 34.95 32.39 2qki s ARG 859 CO -0.17 0.59 1.03 -1.58 0.02 0.00 0.00 175.30 175.19 2qki s HIS 860 N -1.09 4.19 0.07 -0.53 5.65 -1.26 -4.92 115.29 117.40 2qki s HIS 860 Ca 0.33 -2.73 0.09 0.00 0.25 0.00 0.00 55.06 53.00 2qki s HIS 860 Cb -0.21 -3.72 -0.03 0.00 -1.18 0.00 0.00 32.58 27.43 2qki s HIS 860 CO 0.23 -0.91 -0.26 1.14 -0.65 0.00 0.00 174.74 174.29 2qki s GLN 861 N -1.23 1.60 0.00 2.88 -2.07 -1.26 -2.22 119.66 117.36 2qki s GLN 861 Ca 0.30 -1.16 0.04 0.00 -1.82 0.00 0.00 55.36 52.72 2qki s GLN 861 Cb -0.10 -1.87 -0.01 0.00 -1.09 0.00 0.00 33.01 29.94 2qki s GLN 861 CO -0.09 0.47 -0.14 -0.65 -1.32 0.00 0.00 175.29 173.56 2qki s GLN 862 N -1.50 1.05 -0.13 9.60 -0.21 -0.05 -4.98 119.66 123.45 2qki s GLN 862 Ca 0.12 -0.54 -0.07 0.00 0.02 0.00 0.00 55.36 54.88 2qki s GLN 862 Cb -0.10 -1.03 -0.04 0.00 1.00 0.00 0.00 33.01 32.84 2qki s GLN 862 CO 0.03 0.28 0.13 0.99 -2.12 0.00 0.00 175.29 174.60 2qki s THR 863 N -0.44 5.40 0.04 -0.19 2.01 -1.26 -0.21 115.64 120.99 2qki s THR 863 Ca 0.04 0.17 -0.06 0.00 0.31 0.00 0.00 61.69 62.16 2qki s THR 863 Cb -0.06 -3.36 -0.01 0.00 0.01 0.00 0.00 72.50 69.08 2qki s THR 863 CO -0.00 0.60 0.11 0.68 -0.69 0.00 0.00 174.62 175.31 2qki s VAL 864 N -0.86 0.14 -0.25 3.82 -7.23 0.85 -4.97 120.40 111.90 2qki s VAL 864 Ca 0.14 -1.13 0.02 0.00 -1.81 0.00 0.00 61.98 59.20 2qki s VAL 864 Cb -0.12 -0.98 0.06 0.00 0.56 0.00 0.00 36.38 35.90 2qki s VAL 864 CO 0.03 -0.62 -0.10 0.42 -0.31 0.00 0.00 175.10 174.52 2qki s THR 865 N -2.81 1.99 -0.24 5.32 -4.23 -1.25 0.68 115.64 115.10 2qki s THR 865 Ca -0.03 -1.48 -0.10 0.00 -1.18 0.00 0.00 61.69 58.89 2qki s THR 865 Cb 0.00 -2.12 -0.05 0.00 1.34 0.00 0.00 72.50 71.67 2qki s THR 865 CO -0.05 -0.02 0.16 -0.63 -0.54 0.00 0.00 174.62 173.54 2qki s ILE 866 N 1.19 5.31 0.87 2.99 1.01 0.57 -4.89 121.20 128.25 2qki s ILE 866 Ca -0.07 0.16 -0.11 0.00 0.00 0.00 0.00 60.65 60.63 2qki s ILE 866 Cb -0.19 -3.48 0.12 0.00 0.01 0.00 0.00 42.46 38.91 2qki s ILE 866 CO -0.06 0.34 1.11 -2.84 0.00 0.00 0.00 174.94 173.49 2qki s PRO 867 N 1.12 1.43 0.65 2.79 0.02 -1.26 0.05 135.00 139.79 2qki s PRO 867 Ca 0.07 1.27 -0.18 0.00 0.02 0.00 0.00 61.00 62.19 2qki s PRO 867 Cb -0.14 -1.79 -0.02 0.00 0.02 0.00 0.00 34.50 32.57 2qki s PRO 867 CO 0.05 -2.26 1.13 -0.35 -0.33 0.00 0.00 177.00 175.24 2qki n PRO 868 N -3.95 0.92 -3.82 5.54 -0.04 -1.22 -3.55 135.00 128.88 2qki n PRO 868 Ca 0.10 0.37 -0.25 0.00 -0.04 0.00 0.00 63.50 63.67 2qki n PRO 868 Cb 0.53 -2.36 0.02 0.00 -0.04 0.00 0.00 33.50 31.65 2qki n PRO 868 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2qki n LYS 869 N -1.63 -4.90 -3.98 0.54 4.76 -0.14 -4.97 118.16 107.83 2qki n LYS 869 Ca 0.15 0.58 -0.10 0.00 -2.87 0.00 0.00 58.31 56.07 2qki n LYS 869 Cb 0.48 -5.21 -0.04 0.00 -1.84 0.00 0.00 35.03 28.42 2qki n LYS 869 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2qki s SER 870 N -3.95 0.08 0.15 4.39 1.04 -0.92 -5.01 113.70 109.48 2qki s SER 870 Ca 0.27 -1.02 0.03 0.00 0.48 0.00 0.00 55.95 55.71 2qki s SER 870 Cb -0.13 0.64 -0.05 0.00 0.10 0.00 0.00 66.02 66.58 2qki s SER 870 CO 0.83 -1.24 -0.07 -0.94 0.98 0.00 0.00 173.24 172.80 2qki s SER 871 N -3.05 1.60 -0.04 7.02 1.04 -1.26 -1.39 113.70 117.61 2qki s SER 871 Ca 0.22 -1.06 -0.01 0.00 0.48 0.00 0.00 55.95 55.58 2qki s SER 871 Cb -0.02 0.03 0.03 0.00 0.10 0.00 0.00 66.02 66.16 2qki s SER 871 CO 0.11 -0.41 0.03 -0.22 0.98 0.00 0.00 173.24 173.73 2qki s LEU 872 N -3.17 0.56 -0.06 2.42 2.96 -0.49 -4.95 118.68 115.94 2qki s LEU 872 Ca 0.18 0.01 -0.30 0.00 -0.22 0.00 0.00 54.13 53.81 2qki s LEU 872 Cb 0.04 -0.23 -0.02 0.00 0.50 0.00 0.00 46.19 46.48 2qki s LEU 872 CO 0.01 -0.19 1.01 -0.44 -1.32 0.00 0.00 176.35 175.42 2qki s SER 873 N 1.77 7.28 -0.29 3.68 0.01 -1.26 -0.66 113.70 124.24 2qki s SER 873 Ca 0.01 1.59 -0.02 0.00 1.31 0.00 0.00 55.95 58.84 2qki s SER 873 Cb -0.12 -2.56 0.04 0.00 0.21 0.00 0.00 66.02 63.59 2qki s SER 873 CO -0.03 -0.39 -0.01 -0.69 0.41 0.00 0.00 173.24 172.53 2qki s VAL 874 N 1.66 3.05 0.27 3.43 1.01 0.60 -4.96 120.40 125.46 2qki s VAL 874 Ca 0.50 -1.26 -0.21 0.00 0.00 0.00 0.00 61.98 61.01 2qki s VAL 874 Cb -0.20 -2.70 -0.09 0.00 0.00 0.00 0.00 36.38 33.40 2qki s VAL 874 CO 0.22 -0.03 0.80 -2.16 0.00 0.00 0.00 175.10 173.92 2qki s PRO 875 N 1.29 4.31 -0.04 2.72 0.04 -1.26 -0.92 135.00 141.14 2qki s PRO 875 Ca -0.04 0.98 0.03 0.00 0.04 0.00 0.00 61.00 62.02 2qki s PRO 875 Cb -0.19 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.59 2qki s PRO 875 CO -0.01 0.31 -0.12 0.71 0.04 0.00 0.00 177.00 177.93 2qki s TYR 876 N -1.64 1.26 -0.22 0.56 2.02 -0.04 -4.97 117.35 114.33 2qki s TYR 876 Ca 0.47 -0.37 -0.06 0.00 -0.37 0.00 0.00 57.07 56.74 2qki s TYR 876 Cb -0.16 -0.89 -0.03 0.00 -0.40 0.00 0.00 41.96 40.48 2qki s TYR 876 CO 0.21 -0.16 0.04 0.14 -1.57 0.00 0.00 175.55 174.21 2qki s VAL 877 N 0.27 4.26 0.04 0.71 -7.23 -1.26 -1.30 120.40 115.90 2qki s VAL 877 Ca -0.06 -0.20 0.04 0.00 -1.81 0.00 0.00 61.98 59.95 2qki s VAL 877 Cb -0.11 -2.95 -0.02 0.00 0.56 0.00 0.00 36.38 33.85 2qki s VAL 877 CO 0.02 0.40 -0.12 0.27 -0.31 0.00 0.00 175.10 175.35 2qki s ILE 878 N 1.13 0.94 -0.26 -0.62 -4.36 -0.84 -4.55 121.20 112.64 2qki s ILE 878 Ca 0.04 -1.03 0.01 0.00 -0.26 0.00 0.00 60.65 59.41 2qki s ILE 878 Cb -0.14 -0.89 0.05 0.00 1.25 0.00 0.00 42.46 42.73 2qki s ILE 878 CO 0.03 -0.12 -0.09 -0.69 0.24 0.00 0.00 174.94 174.31 2qki s VAL 879 N -1.00 2.47 -0.20 8.37 1.01 0.90 -1.70 120.40 130.25 2qki s VAL 879 Ca -0.02 -1.39 -0.28 0.00 0.00 0.00 0.00 61.98 60.29 2qki s VAL 879 Cb -0.08 -2.36 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 2qki s VAL 879 CO 0.01 0.06 2.07 -2.16 0.00 0.00 0.00 175.10 175.08 2qki s PRO 880 N 1.20 3.37 0.00 2.72 0.04 -1.26 0.55 135.00 141.62 2qki s PRO 880 Ca -0.05 2.00 0.24 0.00 0.04 0.00 0.00 61.00 63.23 2qki s PRO 880 Cb -0.19 -4.29 0.30 0.00 0.04 0.00 0.00 34.50 30.37 2qki s PRO 880 CO -0.05 -1.83 1.27 1.28 0.04 0.00 0.00 177.00 177.72 2qki n LEU 881 N 10.59 0.96 -3.76 -3.56 4.77 0.08 -0.34 117.00 125.74 2qki n LEU 881 Ca 0.26 -0.29 -0.13 0.00 -0.03 0.00 0.00 56.01 55.82 2qki n LEU 881 Cb 0.45 -0.12 -0.13 0.00 -2.33 0.00 0.00 43.42 41.28 2qki n LEU 881 CO 0.67 0.21 -0.19 -0.54 -1.33 0.00 0.00 177.39 176.21 2qki s LYS 882 N -2.81 0.15 0.77 3.23 1.02 -1.18 -4.90 119.74 116.02 2qki s LYS 882 Ca 0.14 0.36 -0.11 0.00 0.02 0.00 0.00 55.97 56.38 2qki s LYS 882 Cb 0.18 -0.08 0.05 0.00 -0.52 0.00 0.00 37.83 37.46 2qki s LYS 882 CO 0.68 -0.12 1.09 0.95 -0.92 0.00 0.00 175.35 177.04 2qki s THR 883 N 0.84 3.24 0.00 2.17 -4.23 -1.26 -4.79 115.64 111.62 2qki s THR 883 Ca -0.06 0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 2qki s THR 883 Cb -0.08 -3.20 0.00 0.00 1.34 0.00 0.00 72.50 70.56 2qki s THR 883 CO -0.05 -0.53 0.00 0.61 -0.54 0.00 0.00 174.62 174.12 2qki n GLY 884 N -2.29 -0.85 3.61 3.99 0.00 -0.17 -4.89 105.19 104.60 2qki n GLY 884 Ca 0.07 -2.21 -0.43 0.00 0.00 0.00 0.00 46.02 43.45 2qki n GLY 884 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qki s LEU 885 N 0.00 3.70 0.31 0.99 2.96 -1.26 -0.02 118.68 125.35 2qki s LEU 885 Ca 0.00 1.04 0.11 0.00 -0.22 0.00 0.00 54.13 55.06 2qki s LEU 885 Cb 0.00 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.10 2qki s LEU 885 CO 0.00 -1.33 -0.16 -1.10 -1.32 0.00 0.00 176.35 172.45 2qki s GLN 886 N 4.72 1.74 -0.06 1.98 -1.52 -0.58 -4.98 119.66 120.97 2qki s GLN 886 Ca 0.62 -1.84 0.05 0.00 -1.95 0.00 0.00 55.36 52.24 2qki s GLN 886 Cb -0.16 -1.74 -0.01 0.00 -0.22 0.00 0.00 33.01 30.88 2qki s GLN 886 CO 0.29 0.25 -0.22 -2.00 -0.25 0.00 0.00 175.29 173.36 2qki s GLU 887 N -3.55 2.38 -0.11 2.91 2.12 -1.26 -1.74 118.70 119.45 2qki s GLU 887 Ca 0.31 -0.81 0.01 0.00 0.36 0.00 0.00 54.97 54.84 2qki s GLU 887 Cb -0.02 -1.99 -0.02 0.00 0.26 0.00 0.00 34.13 32.36 2qki s GLU 887 CO 0.16 0.31 -0.12 0.08 -0.54 0.00 0.00 175.26 175.14 2qki s VAL 888 N -0.02 3.15 -0.05 3.70 1.01 0.06 -4.93 120.40 123.32 2qki s VAL 888 Ca -0.06 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.29 2qki s VAL 888 Cb -0.14 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.96 2qki s VAL 888 CO 0.04 0.54 -0.08 -0.70 0.00 0.00 0.00 175.10 174.90 2qki s GLU 889 N -0.01 1.19 -0.05 2.72 2.12 -1.26 -1.91 118.70 121.50 2qki s GLU 889 Ca -0.03 -0.26 0.03 0.00 0.36 0.00 0.00 54.97 55.06 2qki s GLU 889 Cb -0.14 -1.06 0.01 0.00 0.26 0.00 0.00 34.13 33.19 2qki s GLU 889 CO 0.04 -0.00 -0.11 0.08 -0.54 0.00 0.00 175.26 174.73 2qki s VAL 890 N 0.67 1.00 0.02 3.70 1.01 -0.58 -1.13 120.40 125.09 2qki s VAL 890 Ca -0.11 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 61.51 2qki s VAL 890 Cb -0.14 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 2qki s VAL 890 CO 0.02 0.31 -0.24 -0.54 0.00 0.00 0.00 175.10 174.65 2qki s LYS 891 N 0.44 1.72 0.15 2.72 1.02 -0.69 -0.94 119.74 124.17 2qki s LYS 891 Ca -0.09 -0.97 0.05 0.00 0.02 0.00 0.00 55.97 54.98 2qki s LYS 891 Cb -0.13 -1.80 -0.04 0.00 -0.52 0.00 0.00 37.83 35.34 2qki s LYS 891 CO 0.02 0.47 -0.11 0.00 -0.92 0.00 0.00 175.35 174.81 2qki s ALA 892 N -0.71 1.52 -0.06 5.17 0.00 0.43 -1.05 121.76 127.06 2qki s ALA 892 Ca 0.10 -1.49 -0.31 0.00 0.00 0.00 0.00 51.96 50.26 2qki s ALA 892 Cb -0.09 0.02 0.07 0.00 0.00 0.00 0.00 23.12 23.12 2qki s ALA 892 CO 0.01 -0.06 0.68 0.00 0.00 0.00 0.00 175.76 176.39 2qki s ALA 893 N -3.16 -1.76 -0.17 0.00 0.00 -0.93 -2.14 121.76 113.59 2qki s ALA 893 Ca 0.16 1.33 -0.08 0.00 0.00 0.00 0.00 51.96 53.38 2qki s ALA 893 Cb 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 2qki s ALA 893 CO 0.02 -0.37 0.10 0.14 0.00 0.00 0.00 175.76 175.64 2qki s VAL 894 N -1.15 5.12 0.16 0.00 -7.23 -0.66 -0.96 120.40 115.68 2qki s VAL 894 Ca -0.11 0.08 -0.33 0.00 -1.81 0.00 0.00 61.98 59.81 2qki s VAL 894 Cb -0.00 -3.29 -0.13 0.00 0.56 0.00 0.00 36.38 33.51 2qki s VAL 894 CO 0.10 0.49 1.66 -1.22 -0.31 0.00 0.00 175.10 175.82 2qki n TYR 895 N 3.16 2.45 -0.57 2.82 4.02 -0.34 -2.79 117.16 125.92 2qki n TYR 895 Ca -0.17 0.15 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 2qki n TYR 895 Cb 0.53 -2.60 0.00 0.00 -0.02 0.00 0.00 39.34 37.24 2qki n TYR 895 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 2qki n HIS 896 N 3.93 0.00 -4.22 -0.72 8.25 0.65 -4.86 115.22 118.25 2qki n HIS 896 Ca 0.17 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.43 2qki n HIS 896 Cb 0.31 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.30 2qki n HIS 896 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2qki s HIS 897 N -3.51 1.46 -1.51 4.41 3.76 -1.12 -5.05 115.29 113.73 2qki s HIS 897 Ca 0.00 -0.45 -0.10 0.00 -0.15 0.00 0.00 55.06 54.36 2qki s HIS 897 Cb 0.00 -0.80 -0.01 0.00 1.11 0.00 0.00 32.58 32.88 2qki s HIS 897 CO 0.00 0.12 2.62 1.19 -0.85 0.00 0.00 174.74 177.82 2qki n PHE 898 N 1.15 2.74 -4.69 1.40 3.72 -1.26 -4.52 117.46 116.00 2qki n PHE 898 Ca -0.20 -3.00 -0.25 0.00 -0.05 0.00 0.00 57.45 53.94 2qki n PHE 898 Cb 0.54 -2.36 -0.17 0.00 -0.94 0.00 0.00 39.48 36.56 2qki n PHE 898 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2qki s ILE 899 N 1.71 1.27 0.26 4.37 -1.09 -1.26 -5.08 121.20 121.38 2qki s ILE 899 Ca 0.60 -0.57 -0.21 0.00 -2.23 0.00 0.00 60.65 58.23 2qki s ILE 899 Cb 0.17 -1.14 0.03 0.00 -1.58 0.00 0.00 42.46 39.93 2qki s ILE 899 CO -0.07 0.38 0.73 -0.94 -1.23 0.00 0.00 174.94 173.81 2qki s SER 900 N 0.53 -0.27 0.00 3.58 1.04 -1.26 -1.65 113.70 115.66 2qki s SER 900 Ca -0.13 -0.56 -0.28 0.00 0.48 0.00 0.00 55.95 55.46 2qki s SER 900 Cb -0.15 0.71 0.08 0.00 0.10 0.00 0.00 66.02 66.76 2qki s SER 900 CO 0.04 -1.30 0.74 -0.62 0.98 0.00 0.00 173.24 173.08 2qki s ASP 901 N -2.91 -0.54 0.00 7.02 2.15 -0.91 -4.94 116.67 116.53 2qki s ASP 901 Ca 0.10 0.35 -0.07 0.00 0.43 0.00 0.00 52.55 53.37 2qki s ASP 901 Cb -0.05 0.50 0.00 0.00 -0.30 0.00 0.00 42.92 43.06 2qki s ASP 901 CO 0.05 -0.68 0.13 -0.83 -0.17 0.00 0.00 175.17 173.68 2qki s GLY 902 N -1.83 0.05 -0.02 2.66 0.00 -1.26 -0.43 107.32 106.48 2qki s GLY 902 Ca -0.04 -0.13 0.02 0.00 0.00 0.00 0.00 44.72 44.57 2qki s GLY 902 CO -0.01 -0.26 -0.07 0.14 0.00 0.00 0.00 173.10 172.89 2qki s VAL 903 N -1.31 0.66 -0.12 1.40 1.01 -0.12 -0.09 120.40 121.82 2qki s VAL 903 Ca -0.14 -0.29 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 2qki s VAL 903 Cb -0.07 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.73 2qki s VAL 903 CO 0.01 0.21 -0.09 0.00 0.00 0.00 0.00 175.10 175.24 2qki s ARG 904 N 0.26 1.66 0.41 2.72 1.70 -0.54 -1.53 118.95 123.63 2qki s ARG 904 Ca -0.04 -0.32 0.03 0.00 -0.47 0.00 0.00 55.73 54.94 2qki s ARG 904 Cb -0.08 -1.70 -0.01 0.00 -0.57 0.00 0.00 34.95 32.59 2qki s ARG 904 CO 0.00 -0.27 0.10 0.36 -1.08 0.00 0.00 175.30 174.42 2qki n LYS 905 N 4.91 0.67 -4.39 3.89 2.85 -0.80 -4.51 118.16 120.77 2qki n LYS 905 Ca -0.13 -3.28 -0.28 0.00 -1.05 0.00 0.00 58.31 53.56 2qki n LYS 905 Cb 0.50 1.55 -0.13 0.00 -0.65 0.00 0.00 35.03 36.30 2qki n LYS 905 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2qki s SER 906 N -3.41 3.31 0.04 -5.58 0.01 -1.26 -0.76 113.70 106.05 2qki s SER 906 Ca 0.15 -0.78 -0.00 0.00 1.31 0.00 0.00 55.95 56.62 2qki s SER 906 Cb 0.01 -0.23 -0.03 0.00 0.21 0.00 0.00 66.02 65.98 2qki s SER 906 CO 0.10 0.15 -0.03 -1.48 0.41 0.00 0.00 173.24 172.39 2qki s LEU 907 N -2.25 2.35 -0.11 2.44 0.05 -0.71 -4.97 118.68 115.49 2qki s LEU 907 Ca 0.16 -0.72 -0.23 0.00 0.05 0.00 0.00 54.13 53.39 2qki s LEU 907 Cb -0.09 0.12 -0.03 0.00 -2.05 0.00 0.00 46.19 44.14 2qki s LEU 907 CO 0.07 -0.42 0.69 -0.54 -0.55 0.00 0.00 176.35 175.60 2qki s LYS 908 N -2.52 4.37 -0.27 1.48 1.02 -1.08 -1.52 119.74 121.23 2qki s LYS 908 Ca -0.06 0.82 -0.10 0.00 0.02 0.00 0.00 55.97 56.66 2qki s LYS 908 Cb -0.02 -3.49 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 2qki s LYS 908 CO -0.05 -0.03 0.15 0.08 -0.92 0.00 0.00 175.35 174.58 2qki s VAL 909 N 1.15 4.98 0.10 3.17 1.01 0.97 -1.44 120.40 130.33 2qki s VAL 909 Ca 0.35 0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.43 2qki s VAL 909 Cb -0.17 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 2qki s VAL 909 CO 0.15 0.28 0.02 0.68 0.00 0.00 0.00 175.10 176.23 2qki s VAL 910 N 1.71 4.12 0.71 2.92 -7.23 0.15 -1.00 120.40 121.77 2qki s VAL 910 Ca 0.07 -0.97 -0.15 0.00 -1.81 0.00 0.00 61.98 59.12 2qki s VAL 910 Cb -0.16 -2.98 0.03 0.00 0.56 0.00 0.00 36.38 33.83 2qki s VAL 910 CO 0.09 0.10 1.17 -2.16 -0.31 0.00 0.00 175.10 173.98 2qki s PRO 911 N -2.39 2.38 0.00 4.82 0.04 -1.26 -0.35 135.00 138.24 2qki s PRO 911 Ca 0.27 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.92 2qki s PRO 911 Cb -0.12 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2qki s PRO 911 CO 0.19 -1.62 0.38 -0.85 0.04 0.00 0.00 177.00 175.15 2qki n GLU 912 N -2.62 0.00 0.00 4.56 0.28 -1.26 -4.75 120.64 116.85 2qki n GLU 912 Ca 0.12 0.34 0.00 0.00 -0.16 0.00 0.00 57.16 57.46 2qki n GLU 912 Cb 0.51 -1.07 0.00 0.00 1.43 0.00 0.00 31.44 32.31 2qki n GLU 912 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2qki n GLY 913 N 0.79 1.00 0.73 -1.84 0.00 -1.26 -5.09 105.19 99.52 2qki n GLY 913 Ca 0.00 -0.65 0.13 0.00 0.00 0.00 0.00 46.02 45.50 2qki n GLY 913 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61