#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qki h ASP 730 N 0.00 0.06 0.00 -1.43 1.82 -2.07 -3.46 116.42 111.33 2qki h ASP 730 Ca 0.00 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 2qki h ASP 730 Cb 0.00 0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.06 2qki h ASP 730 CO 0.00 0.07 0.00 -1.84 -1.61 0.00 0.00 179.24 175.86 2qki n GLU 731 N -5.06 0.00 -1.09 0.28 0.28 -1.26 -4.81 120.64 108.98 2qki n GLU 731 Ca 0.01 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.68 2qki n GLU 731 Cb 0.14 -3.76 -0.02 0.00 1.43 0.00 0.00 31.44 29.23 2qki n GLU 731 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2qki n ASP 732 N 0.00 7.22 -3.55 -1.84 2.03 -1.26 -4.79 116.55 114.36 2qki n ASP 732 Ca 0.00 -2.48 -0.15 0.00 0.52 0.00 0.00 54.79 52.68 2qki n ASP 732 Cb 0.00 -1.38 -0.05 0.00 -0.72 0.00 0.00 41.12 38.97 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 2.68 0.02 0.17 5.18 2.07 -1.26 -0.29 121.20 129.77 2qki s ILE 733 Ca 0.58 -0.15 -0.30 0.00 -1.41 0.00 0.00 60.65 59.37 2qki s ILE 733 Cb 0.15 -0.97 -0.08 0.00 0.13 0.00 0.00 42.46 41.69 2qki s ILE 733 CO -0.05 -0.08 1.23 -0.63 -1.91 0.00 0.00 174.94 173.50 2qki s ILE 734 N -2.17 3.51 0.46 2.00 1.01 -1.26 -5.01 121.20 119.74 2qki s ILE 734 Ca -0.07 1.24 -0.24 0.00 0.00 0.00 0.00 60.65 61.58 2qki s ILE 734 Cb -0.01 -3.79 -0.07 0.00 0.01 0.00 0.00 42.46 38.60 2qki s ILE 734 CO 0.01 0.18 1.30 0.00 0.00 0.00 0.00 174.94 176.43 2qki s ALA 735 N 0.13 3.07 0.24 9.38 0.00 -1.26 -4.87 121.76 128.45 2qki s ALA 735 Ca 0.55 1.21 -0.05 0.00 0.00 0.00 0.00 51.96 53.67 2qki s ALA 735 Cb -0.33 -3.49 0.37 0.00 0.00 0.00 0.00 23.12 19.66 2qki s ALA 735 CO 0.36 -0.97 1.81 1.49 0.00 0.00 0.00 175.76 178.45 2qki h GLU 736 N 2.16 0.75 -0.05 0.00 4.22 -1.96 -1.69 114.58 118.01 2qki h GLU 736 Ca -0.50 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.89 2qki h GLU 736 Cb 1.26 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2qki h GLU 736 CO 0.60 0.49 0.00 0.39 -2.18 0.00 0.00 179.01 178.32 2qki n GLU 737 N -4.75 1.17 -0.13 1.92 4.71 -1.26 -1.70 120.64 120.60 2qki n GLU 737 Ca 0.13 -0.25 0.11 0.00 -0.01 0.00 0.00 57.16 57.13 2qki n GLU 737 Cb 0.26 -1.25 0.17 0.00 -1.01 0.00 0.00 31.44 29.61 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 -0.48 3.23 -4.49 1.62 3.02 -0.64 -4.87 115.26 112.65 2qki n ASN 738 Ca 0.11 -1.96 -0.38 0.00 -0.03 0.00 0.00 54.58 52.32 2qki n ASN 738 Cb 0.11 -0.17 -0.11 0.00 -0.61 0.00 0.00 39.78 39.00 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 -1.55 4.83 -0.33 2.41 1.01 -0.69 -4.98 121.20 121.89 2qki s ILE 739 Ca 0.34 -0.20 -0.18 0.00 0.00 0.00 0.00 60.65 60.61 2qki s ILE 739 Cb 0.21 -3.39 -0.01 0.00 0.01 0.00 0.00 42.46 39.28 2qki s ILE 739 CO 0.29 0.15 0.52 -0.69 0.00 0.00 0.00 174.94 175.21 2qki s VAL 740 N 1.67 5.02 0.37 2.92 1.01 -1.26 -4.95 120.40 125.17 2qki s VAL 740 Ca 0.06 0.46 -0.27 0.00 0.00 0.00 0.00 61.98 62.22 2qki s VAL 740 Cb -0.16 -3.94 -0.10 0.00 0.00 0.00 0.00 36.38 32.18 2qki s VAL 740 CO 0.08 -0.16 1.32 -0.44 0.00 0.00 0.00 175.10 175.89 2qki s SER 741 N 1.73 6.53 0.23 3.32 0.01 -1.26 -4.48 113.70 119.78 2qki s SER 741 Ca 0.19 2.70 -0.30 0.00 1.31 0.00 0.00 55.95 59.86 2qki s SER 741 Cb -0.15 -2.65 -0.09 0.00 0.21 0.00 0.00 66.02 63.34 2qki s SER 741 CO 0.13 -0.70 1.23 -0.13 0.41 0.00 0.00 173.24 174.17 2qki s ARG 742 N -2.02 4.47 0.00 12.44 0.52 0.11 -4.84 118.95 129.62 2qki s ARG 742 Ca 0.53 1.97 0.00 0.00 -0.52 0.00 0.00 55.73 57.71 2qki s ARG 742 Cb -0.40 -3.19 0.00 0.00 0.52 0.00 0.00 34.95 31.89 2qki s ARG 742 CO 0.52 -0.09 0.00 -1.13 0.02 0.00 0.00 175.30 174.62 2qki n SER 743 N 1.99 0.00 -4.41 0.23 3.41 -1.26 -1.74 113.62 111.84 2qki n SER 743 Ca 0.03 -0.14 -0.45 0.00 -0.26 0.00 0.00 58.87 58.05 2qki n SER 743 Cb 0.44 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 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 0.00 3.36 -0.54 4.33 2.02 -1.26 -4.91 118.70 121.70 2qki s GLU 744 Ca 0.00 -1.62 0.05 0.00 0.02 0.00 0.00 54.97 53.42 2qki s GLU 744 Cb 0.00 -4.54 0.36 0.00 0.10 0.00 0.00 34.13 30.05 2qki s GLU 744 CO 0.00 -1.63 0.98 1.19 0.02 0.00 0.00 175.26 175.83 2qki n PHE 745 N 6.20 3.75 -2.63 1.61 3.72 -1.26 -0.71 117.46 128.14 2qki n PHE 745 Ca 0.08 -3.76 -0.33 0.00 -0.05 0.00 0.00 57.45 53.39 2qki n PHE 745 Cb 0.46 -0.38 -0.05 0.00 -0.94 0.00 0.00 39.48 38.57 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 -3.46 4.02 0.22 -1.08 0.04 -1.26 -4.95 135.00 128.54 2qki s PRO 746 Ca 0.48 1.15 0.12 0.00 0.04 0.00 0.00 61.00 62.78 2qki s PRO 746 Cb 0.31 -2.14 0.02 0.00 0.04 0.00 0.00 34.50 32.73 2qki s PRO 746 CO -0.15 -0.21 1.41 0.93 0.04 0.00 0.00 177.00 179.02 2qki h GLU 747 N 1.54 0.00 -3.91 4.56 5.08 -2.05 -3.46 114.58 116.35 2qki h GLU 747 Ca -0.49 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.77 2qki h GLU 747 Cb 1.19 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.29 2qki h GLU 747 CO 0.60 0.71 -0.50 -1.54 -1.00 0.00 0.00 179.01 177.28 2qki s SER 748 N -6.59 0.23 0.00 1.42 1.04 -1.26 -5.09 113.70 103.45 2qki s SER 748 Ca 0.02 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.76 2qki s SER 748 Cb 0.09 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2qki s SER 748 CO 0.77 -0.62 0.00 -2.67 0.98 0.00 0.00 173.24 171.71 2qki n TRP 749 N 0.29 -0.51 -3.56 5.02 4.27 -1.26 -5.00 117.44 116.69 2qki n TRP 749 Ca -0.16 0.00 -0.26 0.00 -3.89 0.00 0.00 57.50 53.18 2qki n TRP 749 Cb 0.61 0.00 0.01 0.00 -1.36 0.00 0.00 31.31 30.57 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 -2.08 -4.57 5.67 7.94 -1.26 -4.89 117.00 117.81 2qki n LEU 750 Ca 0.00 -0.55 -0.42 0.00 -1.11 0.00 0.00 56.01 53.93 2qki n LEU 750 Cb 0.00 -2.40 -0.01 0.00 0.53 0.00 0.00 43.42 41.53 2qki n LEU 750 CO 0.00 0.29 1.75 0.86 -1.11 0.00 0.00 177.39 179.18 2qki s TRP 751 N -3.12 2.65 0.14 1.96 -0.11 -1.26 -4.91 118.94 114.29 2qki s TRP 751 Ca 0.51 -1.23 0.06 0.00 1.22 0.00 0.00 56.10 56.66 2qki s TRP 751 Cb -0.26 -4.71 -0.04 0.00 -1.50 0.00 0.00 33.47 26.96 2qki s TRP 751 CO 0.62 -1.86 -0.14 -0.80 -4.62 0.00 0.00 176.95 170.16 2qki s ASN 752 N 4.63 2.11 -0.12 5.86 -0.87 -1.26 -5.13 114.94 120.16 2qki s ASN 752 Ca 0.51 -0.88 0.01 0.00 -1.57 0.00 0.00 52.86 50.93 2qki s ASN 752 Cb 0.02 -0.08 0.02 0.00 -0.02 0.00 0.00 41.25 41.19 2qki s ASN 752 CO 0.00 -0.17 -0.14 0.54 -2.57 0.00 0.00 177.10 174.76 2qki s VAL 753 N -2.45 1.48 -0.04 1.60 0.11 -1.26 -5.12 120.40 114.72 2qki s VAL 753 Ca 0.13 -0.61 0.03 0.00 -2.93 0.00 0.00 61.98 58.60 2qki s VAL 753 Cb -0.03 -1.38 0.00 0.00 -1.53 0.00 0.00 36.38 33.45 2qki s VAL 753 CO 0.03 0.44 -0.13 -1.61 -3.33 0.00 0.00 175.10 170.51 2qki s GLU 754 N 1.20 1.43 -0.15 1.54 0.41 -1.26 -5.14 118.70 116.74 2qki s GLU 754 Ca -0.02 -0.44 -0.06 0.00 -0.41 0.00 0.00 54.97 54.04 2qki s GLU 754 Cb -0.14 -1.26 -0.04 0.00 -1.78 0.00 0.00 34.13 30.91 2qki s GLU 754 CO -0.05 0.14 0.07 -0.51 -0.49 0.00 0.00 175.26 174.42 2qki s ASP 755 N 0.26 5.77 -1.38 -0.19 1.01 -1.26 -5.01 116.67 115.87 2qki s ASP 755 Ca -0.06 0.20 -0.13 0.00 0.71 0.00 0.00 52.55 53.27 2qki s ASP 755 Cb -0.11 -1.89 0.08 0.00 1.01 0.00 0.00 42.92 42.01 2qki s ASP 755 CO 0.02 0.28 2.03 0.18 0.21 0.00 0.00 175.17 177.89 2qki n LEU 756 N 2.85 6.49 0.01 1.23 4.77 -1.26 -4.56 117.00 126.53 2qki n LEU 756 Ca -0.18 -4.27 0.11 0.00 -0.03 0.00 0.00 56.01 51.64 2qki n LEU 756 Cb 0.53 -1.62 -0.03 0.00 -2.33 0.00 0.00 43.42 39.97 2qki n LEU 756 CO 0.33 1.05 -0.02 2.29 -1.33 0.00 0.00 177.39 179.70 2qki n LYS 757 N 5.76 0.13 -1.73 3.23 2.85 -1.26 -4.91 118.16 122.22 2qki n LYS 757 Ca 0.48 -0.02 -0.42 0.00 -1.05 0.00 0.00 58.31 57.29 2qki n LYS 757 Cb 0.39 -1.52 -0.02 0.00 -0.65 0.00 0.00 35.03 33.23 2qki n LYS 757 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2qki n GLU 758 N -1.68 2.65 -1.69 -1.58 4.71 -1.26 -4.89 120.64 116.90 2qki n GLU 758 Ca 0.03 0.95 -0.44 0.00 -0.01 0.00 0.00 57.16 57.68 2qki n GLU 758 Cb 0.38 -2.73 -0.03 0.00 -1.01 0.00 0.00 31.44 28.04 2qki n GLU 758 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 2qki n PRO 759 N 2.56 2.37 -2.25 3.49 -0.04 -1.26 -4.70 135.00 135.18 2qki n PRO 759 Ca 0.11 0.85 -0.38 0.00 -0.04 0.00 0.00 63.50 64.04 2qki n PRO 759 Cb 0.36 -2.63 -0.01 0.00 -0.04 0.00 0.00 33.50 31.17 2qki n PRO 759 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2qki s PRO 760 N 0.72 3.92 -0.97 0.54 0.04 -1.26 -4.76 135.00 133.24 2qki s PRO 760 Ca 0.75 1.86 -0.03 0.00 0.04 0.00 0.00 61.00 63.62 2qki s PRO 760 Cb -0.61 -2.58 0.27 0.00 0.04 0.00 0.00 34.50 31.62 2qki s PRO 760 CO 0.38 -0.44 1.07 1.63 0.04 0.00 0.00 177.00 179.69 2qki n LYS 761 N -0.14 3.40 0.00 4.56 5.02 -0.92 -4.83 118.16 125.25 2qki n LYS 761 Ca 0.05 -4.53 0.00 0.00 -2.02 0.00 0.00 58.31 51.82 2qki n LYS 761 Cb 0.47 -2.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.02 2qki n LYS 761 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2qki n ASN 762 N 1.88 0.00 0.00 4.39 4.13 -1.26 -4.47 115.26 119.92 2qki n ASN 762 Ca 0.25 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.51 2qki n ASN 762 Cb 0.37 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.61 2qki n ASN 762 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qki n GLY 763 N 0.00 1.59 3.58 7.41 0.00 -1.26 -5.03 105.19 111.49 2qki n GLY 763 Ca 0.00 0.00 -0.42 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 -0.70 4.64 -0.15 -0.61 -1.09 -1.26 -4.93 121.20 117.10 2qki s ILE 764 Ca 0.00 0.90 -0.09 0.00 -2.23 0.00 0.00 60.65 59.23 2qki s ILE 764 Cb 0.00 -4.29 -0.05 0.00 -1.58 0.00 0.00 42.46 36.54 2qki s ILE 764 CO 0.00 -0.55 0.16 -0.44 -1.23 0.00 0.00 174.94 172.88 2qki s SER 765 N 1.95 6.33 -0.18 3.58 0.01 -1.26 -2.17 113.70 121.96 2qki s SER 765 Ca 0.34 0.39 -0.05 0.00 1.31 0.00 0.00 55.95 57.93 2qki s SER 765 Cb -0.12 -2.10 -0.03 0.00 0.21 0.00 0.00 66.02 63.98 2qki s SER 765 CO 0.19 0.28 0.01 -0.89 0.41 0.00 0.00 173.24 173.24 2qki s THR 766 N -0.28 4.22 -0.26 1.44 2.01 -1.26 -5.03 115.64 116.47 2qki s THR 766 Ca 0.12 -0.23 -0.05 0.00 0.31 0.00 0.00 61.69 61.84 2qki s THR 766 Cb -0.12 -2.88 0.01 0.00 0.01 0.00 0.00 72.50 69.52 2qki s THR 766 CO 0.02 0.46 0.01 -0.75 -0.69 0.00 0.00 174.62 173.68 2qki s LYS 767 N 0.53 3.12 0.02 4.92 2.20 -1.26 -4.77 119.74 124.50 2qki s LYS 767 Ca -0.00 -0.81 -0.16 0.00 -0.36 0.00 0.00 55.97 54.63 2qki s LYS 767 Cb -0.14 -3.18 -0.06 0.00 -1.51 0.00 0.00 37.83 32.94 2qki s LYS 767 CO 0.02 -0.36 0.46 -0.51 -0.36 0.00 0.00 175.35 174.60 2qki s LEU 768 N 1.46 4.49 -0.06 5.43 1.43 -1.26 -5.07 118.68 125.09 2qki s LEU 768 Ca 0.03 1.06 -0.03 0.00 -1.03 0.00 0.00 54.13 54.16 2qki s LEU 768 Cb -0.16 -2.69 0.03 0.00 0.03 0.00 0.00 46.19 43.40 2qki s LEU 768 CO -0.01 0.30 0.13 -0.32 0.23 0.00 0.00 176.35 176.69 2qki s MET 769 N -1.03 0.09 -0.36 1.70 1.75 -1.26 -5.12 119.30 115.07 2qki s MET 769 Ca 0.26 0.32 -0.16 0.00 -1.25 0.00 0.00 55.69 54.85 2qki s MET 769 Cb -0.18 -0.13 -0.00 0.00 2.84 0.00 0.00 34.83 37.36 2qki s MET 769 CO 0.15 -0.13 0.40 1.21 -0.65 0.00 0.00 175.02 175.99 2qki s ASN 770 N 0.93 6.20 0.16 1.11 3.84 -1.26 -5.06 114.94 120.87 2qki s ASN 770 Ca -0.07 -0.30 0.10 0.00 0.21 0.00 0.00 52.86 52.80 2qki s ASN 770 Cb -0.09 -2.21 -0.04 0.00 -0.55 0.00 0.00 41.25 38.35 2qki s ASN 770 CO -0.04 -0.41 -0.21 0.27 -2.79 0.00 0.00 177.10 173.91 2qki s ILE 771 N 2.09 2.56 -0.25 -5.21 -4.36 -1.26 -5.12 121.20 109.66 2qki s ILE 771 Ca 0.13 -1.79 -0.06 0.00 -0.26 0.00 0.00 60.65 58.67 2qki s ILE 771 Cb -0.17 -2.20 -0.01 0.00 1.25 0.00 0.00 42.46 41.34 2qki s ILE 771 CO 0.12 -0.01 0.03 -0.36 0.24 0.00 0.00 174.94 174.95 2qki s PHE 772 N -1.40 3.06 0.56 1.37 0.40 -1.26 -5.09 117.98 115.60 2qki s PHE 772 Ca 0.19 -0.82 -0.18 0.00 -0.60 0.00 0.00 56.93 55.51 2qki s PHE 772 Cb -0.09 -2.19 -0.05 0.00 0.51 0.00 0.00 43.02 41.20 2qki s PHE 772 CO 0.10 -0.51 1.10 -0.51 0.70 0.00 0.00 175.22 176.10 2qki s LEU 773 N 1.52 3.67 0.00 -0.37 1.43 -1.26 -5.03 118.68 118.64 2qki s LEU 773 Ca 0.05 2.04 -0.17 0.00 -1.03 0.00 0.00 54.13 55.02 2qki s LEU 773 Cb -0.15 -4.56 0.24 0.00 0.03 0.00 0.00 46.19 41.74 2qki s LEU 773 CO 0.00 -1.18 1.27 0.29 0.23 0.00 0.00 176.35 176.96 2qki n LYS 774 N -1.52 -1.63 0.05 1.70 4.76 -1.26 -4.96 118.16 115.29 2qki n LYS 774 Ca 0.10 -1.97 0.13 0.00 -2.87 0.00 0.00 58.31 53.71 2qki n LYS 774 Cb 0.52 -1.40 0.51 0.00 -1.84 0.00 0.00 35.03 32.82 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 -4.04 0.37 -4.77 4.39 8.00 0.11 -4.91 116.55 115.70 2qki n ASP 775 Ca 0.16 0.54 -0.41 0.00 0.71 0.00 0.00 54.79 55.79 2qki n ASP 775 Cb 0.57 -0.64 -0.01 0.00 -0.02 0.00 0.00 41.12 41.02 2qki n ASP 775 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2qki s SER 776 N -3.70 6.59 -0.78 -2.24 0.01 -1.24 -4.93 113.70 107.41 2qki s SER 776 Ca 0.12 2.82 -0.15 0.00 1.31 0.00 0.00 55.95 60.04 2qki s SER 776 Cb 0.15 -2.66 0.18 0.00 0.21 0.00 0.00 66.02 63.91 2qki s SER 776 CO 0.54 -0.68 0.78 -0.63 0.41 0.00 0.00 173.24 173.66 2qki s ILE 777 N -1.14 5.36 0.00 1.44 1.01 -1.26 -4.76 121.20 121.85 2qki s ILE 777 Ca 0.51 -2.07 0.00 0.00 0.00 0.00 0.00 60.65 59.09 2qki s ILE 777 Cb -0.42 -4.50 0.00 0.00 0.01 0.00 0.00 42.46 37.55 2qki s ILE 777 CO 0.56 -1.08 0.00 0.35 0.00 0.00 0.00 174.94 174.77 2qki n THR 778 N 4.52 0.00 -4.72 2.92 -2.24 -1.01 -4.99 114.28 108.76 2qki n THR 778 Ca 0.09 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.54 2qki n THR 778 Cb 0.46 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.55 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 -2.84 3.23 -0.04 4.28 2.01 -1.26 0.04 115.64 121.07 2qki s THR 779 Ca 0.00 -0.61 -0.15 0.00 0.31 0.00 0.00 61.69 61.24 2qki s THR 779 Cb 0.00 -2.36 -0.05 0.00 0.01 0.00 0.00 72.50 70.10 2qki s THR 779 CO 0.00 0.53 0.40 0.26 -0.69 0.00 0.00 174.62 175.12 2qki s TRP 780 N 0.18 3.66 -0.33 4.92 0.52 0.86 -4.93 118.94 123.82 2qki s TRP 780 Ca -0.06 0.92 -0.12 0.00 0.02 0.00 0.00 56.10 56.86 2qki s TRP 780 Cb -0.15 -2.33 -0.02 0.00 -1.15 0.00 0.00 33.47 29.82 2qki s TRP 780 CO 0.05 0.52 0.22 -2.00 0.02 0.00 0.00 176.95 175.76 2qki s GLU 781 N -0.62 3.54 -0.26 4.98 2.12 -1.26 -1.60 118.70 125.59 2qki s GLU 781 Ca 0.23 -0.61 -0.10 0.00 0.36 0.00 0.00 54.97 54.85 2qki s GLU 781 Cb -0.16 -3.76 -0.05 0.00 0.26 0.00 0.00 34.13 30.43 2qki s GLU 781 CO 0.12 -0.40 0.16 0.42 -0.54 0.00 0.00 175.26 175.01 2qki s ILE 782 N 1.72 5.11 -0.20 -3.70 1.01 0.16 -4.88 121.20 120.41 2qki s ILE 782 Ca 0.06 0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.77 2qki s ILE 782 Cb -0.17 -3.41 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 2qki s ILE 782 CO 0.10 0.29 -0.05 -0.22 0.00 0.00 0.00 174.94 175.07 2qki s LEU 783 N 1.55 2.98 -0.07 2.97 2.96 -1.26 0.20 118.68 128.00 2qki s LEU 783 Ca 0.07 -0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 53.65 2qki s LEU 783 Cb -0.15 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 2qki s LEU 783 CO 0.08 0.04 -0.01 0.00 -1.32 0.00 0.00 176.35 175.14 2qki s ALA 784 N 1.12 3.25 -0.06 5.97 0.00 -1.26 -5.05 121.76 125.73 2qki s ALA 784 Ca 0.02 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.16 2qki s ALA 784 Cb -0.15 -1.42 0.01 0.00 0.00 0.00 0.00 23.12 21.56 2qki s ALA 784 CO -0.00 0.60 -0.13 0.08 0.00 0.00 0.00 175.76 176.31 2qki s VAL 785 N -0.92 1.15 0.31 0.00 1.01 -1.26 -1.45 120.40 119.24 2qki s VAL 785 Ca 0.14 -0.51 0.11 0.00 0.00 0.00 0.00 61.98 61.72 2qki s VAL 785 Cb -0.11 -1.03 -0.06 0.00 0.00 0.00 0.00 36.38 35.18 2qki s VAL 785 CO 0.04 0.35 -0.14 -0.94 0.00 0.00 0.00 175.10 174.41 2qki s SER 786 N 0.51 3.71 -0.08 3.32 1.04 0.49 -4.96 113.70 117.73 2qki s SER 786 Ca -0.12 -1.09 -0.04 0.00 0.48 0.00 0.00 55.95 55.19 2qki s SER 786 Cb -0.14 -0.35 0.04 0.00 0.10 0.00 0.00 66.02 65.67 2qki s SER 786 CO 0.03 -0.08 0.18 -0.32 0.98 0.00 0.00 173.24 174.03 2qki s MET 787 N -3.57 0.12 0.05 4.02 1.75 -1.26 -1.04 119.30 119.37 2qki s MET 787 Ca 0.31 0.46 0.03 0.00 -1.25 0.00 0.00 55.69 55.24 2qki s MET 787 Cb -0.01 -0.17 -0.03 0.00 2.84 0.00 0.00 34.83 37.46 2qki s MET 787 CO 0.16 -0.19 -0.09 -1.54 -0.65 0.00 0.00 175.02 172.71 2qki s SER 788 N 1.41 1.06 0.52 1.11 1.04 -0.28 -4.97 113.70 113.60 2qki s SER 788 Ca -0.07 -0.61 0.30 0.00 0.48 0.00 0.00 55.95 56.05 2qki s SER 788 Cb -0.11 0.02 1.40 0.00 0.10 0.00 0.00 66.02 67.43 2qki s SER 788 CO -0.07 -0.20 2.02 0.44 0.98 0.00 0.00 173.24 176.41 2qki h ASP 789 N 4.29 0.00 0.00 7.02 3.32 -2.02 -0.05 116.42 128.98 2qki h ASP 789 Ca -0.37 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.57 2qki h ASP 789 Cb 1.20 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 2qki h ASP 789 CO 0.43 0.11 -0.81 0.50 -1.72 0.00 0.00 179.24 177.75 2qki h LYS 790 N 0.00 0.00 0.00 3.56 1.63 -2.06 -3.42 116.57 116.28 2qki h LYS 790 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2qki h LYS 790 Cb 0.45 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 2qki h LYS 790 CO 0.01 0.55 -0.95 1.63 -3.45 0.00 0.00 179.45 177.24 2qki n LYS 791 N -4.54 0.08 0.00 1.90 4.76 -1.22 -5.07 118.16 114.07 2qki n LYS 791 Ca -0.19 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.24 2qki n LYS 791 Cb 0.46 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 32.14 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 1.47 -0.11 3.85 0.72 0.00 -0.04 -4.88 105.19 106.20 2qki n GLY 792 Ca 0.04 -1.13 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 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 5.42 -0.05 -0.61 2.07 -1.26 -1.12 121.20 125.65 2qki s ILE 793 Ca 0.00 0.18 -0.02 0.00 -1.41 0.00 0.00 60.65 59.40 2qki s ILE 793 Cb 0.00 -3.37 0.04 0.00 0.13 0.00 0.00 42.46 39.26 2qki s ILE 793 CO 0.00 0.60 0.09 0.00 -1.91 0.00 0.00 174.94 173.72 2qki s VAL 795 N 1.98 4.95 0.80 0.00 0.11 -1.26 -0.38 120.40 126.60 2qki s VAL 795 Ca 0.02 -0.51 -0.11 0.00 -2.93 0.00 0.00 61.98 58.44 2qki s VAL 795 Cb -0.12 -3.63 0.08 0.00 -1.53 0.00 0.00 36.38 31.17 2qki s VAL 795 CO -0.04 -0.11 1.12 0.00 -3.33 0.00 0.00 175.10 172.74 2qki s ALA 796 N 1.65 2.04 0.52 1.54 0.00 -0.53 -5.00 121.76 121.98 2qki s ALA 796 Ca 0.05 0.43 -0.22 0.00 0.00 0.00 0.00 51.96 52.21 2qki s ALA 796 Cb -0.18 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.54 2qki s ALA 796 CO 0.08 -2.02 1.32 -0.51 0.00 0.00 0.00 175.76 174.63 2qki s ASP 797 N -3.02 5.53 0.51 0.00 -0.00 -1.26 -4.66 116.67 113.77 2qki s ASP 797 Ca 0.64 2.67 -0.21 0.00 -0.00 0.00 0.00 52.55 55.64 2qki s ASP 797 Cb -0.20 -2.63 -0.06 0.00 -0.00 0.00 0.00 42.92 40.03 2qki s ASP 797 CO 0.54 -1.39 1.21 -2.84 -0.00 0.00 0.00 175.17 172.69 2qki s PRO 798 N -2.82 3.43 -0.17 8.23 0.02 -1.26 -4.74 135.00 137.68 2qki s PRO 798 Ca 0.69 1.85 -0.03 0.00 0.02 0.00 0.00 61.00 63.53 2qki s PRO 798 Cb -0.38 -2.23 -0.02 0.00 0.02 0.00 0.00 34.50 31.89 2qki s PRO 798 CO 0.45 -0.85 -0.05 0.12 -0.33 0.00 0.00 177.00 176.35 2qki s PHE 799 N -1.54 2.97 -0.12 6.54 5.36 0.13 -4.88 117.98 126.44 2qki s PHE 799 Ca 0.69 -0.54 -0.11 0.00 -0.96 0.00 0.00 56.93 56.01 2qki s PHE 799 Cb -0.31 -1.99 -0.05 0.00 -0.34 0.00 0.00 43.02 40.34 2qki s PHE 799 CO 0.36 -0.23 0.24 -1.21 -1.46 0.00 0.00 175.22 172.92 2qki s GLU 800 N 0.73 3.90 -0.17 10.12 2.02 -1.26 0.36 118.70 134.40 2qki s GLU 800 Ca -0.02 0.04 -0.00 0.00 0.02 0.00 0.00 54.97 55.00 2qki s GLU 800 Cb -0.15 -3.30 0.04 0.00 0.10 0.00 0.00 34.13 30.82 2qki s GLU 800 CO 0.02 0.53 -0.05 0.08 0.02 0.00 0.00 175.26 175.85 2qki s VAL 801 N -0.38 1.16 -0.22 2.63 1.01 -0.63 -4.97 120.40 119.00 2qki s VAL 801 Ca 0.16 -0.69 -0.17 0.00 0.00 0.00 0.00 61.98 61.28 2qki s VAL 801 Cb -0.13 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 2qki s VAL 801 CO 0.05 0.11 0.44 -0.89 0.00 0.00 0.00 175.10 174.82 2qki s THR 802 N 1.61 5.15 -0.24 3.92 2.01 -1.26 -0.10 115.64 126.72 2qki s THR 802 Ca 0.00 0.78 -0.05 0.00 0.31 0.00 0.00 61.69 62.73 2qki s THR 802 Cb -0.16 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 2qki s THR 802 CO -0.08 0.19 0.00 -0.69 -0.69 0.00 0.00 174.62 173.36 2qki s VAL 803 N 1.66 3.65 0.04 3.82 1.01 0.11 -4.98 120.40 125.71 2qki s VAL 803 Ca 0.20 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 2qki s VAL 803 Cb -0.15 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 2qki s VAL 803 CO 0.09 0.34 0.12 -0.32 0.00 0.00 0.00 175.10 175.32 2qki s MET 804 N 1.50 0.62 0.23 2.72 0.00 -1.26 -2.41 119.30 120.70 2qki s MET 804 Ca 0.05 -0.73 -0.05 0.00 0.00 0.00 0.00 55.69 54.96 2qki s MET 804 Cb -0.15 0.25 -0.02 0.00 0.00 0.00 0.00 34.83 34.90 2qki s MET 804 CO -0.01 -0.16 0.28 1.14 0.00 0.00 0.00 175.02 176.27 2qki s GLN 805 N -2.64 1.38 0.19 4.11 -2.07 -1.26 -5.09 119.66 114.28 2qki s GLN 805 Ca -0.05 -1.52 -0.01 0.00 -1.82 0.00 0.00 55.36 51.97 2qki s GLN 805 Cb -0.01 0.35 0.10 0.00 -1.09 0.00 0.00 33.01 32.37 2qki s GLN 805 CO -0.05 -0.51 1.48 -0.44 -1.32 0.00 0.00 175.29 174.45 2qki h ASP 806 N 2.45 0.51 -3.47 12.60 5.19 -1.92 -3.44 116.42 128.33 2qki h ASP 806 Ca -0.32 -0.30 -0.40 0.00 -0.62 0.00 0.00 57.03 55.39 2qki h ASP 806 Cb 1.25 -0.15 -0.34 0.00 0.18 0.00 0.00 39.33 40.27 2qki h ASP 806 CO 0.45 1.02 -0.77 0.12 -3.12 0.00 0.00 179.24 176.94 2qki s PHE 807 N -3.78 0.68 0.15 4.55 5.36 -1.26 0.18 117.98 123.86 2qki s PHE 807 Ca -0.06 -0.17 -0.24 0.00 -0.96 0.00 0.00 56.93 55.50 2qki s PHE 807 Cb 0.11 -0.62 0.07 0.00 -0.34 0.00 0.00 43.02 42.24 2qki s PHE 807 CO 0.83 -0.18 0.61 -0.59 -1.46 0.00 0.00 175.22 174.44 2qki s PHE 808 N 0.90 -0.54 -0.07 10.12 -0.12 -1.09 -4.84 117.98 122.33 2qki s PHE 808 Ca -0.11 0.37 -0.13 0.00 -0.05 0.00 0.00 56.93 57.01 2qki s PHE 808 Cb -0.14 0.55 -0.05 0.00 -0.63 0.00 0.00 43.02 42.75 2qki s PHE 808 CO 0.00 -0.83 0.34 0.42 -0.05 0.00 0.00 175.22 175.09 2qki s ILE 809 N -3.59 5.20 -0.34 -4.49 1.01 -1.26 -0.83 121.20 116.90 2qki s ILE 809 Ca 0.00 0.66 -0.06 0.00 0.00 0.00 0.00 60.65 61.26 2qki s ILE 809 Cb -0.01 -3.64 0.04 0.00 0.01 0.00 0.00 42.46 38.86 2qki s ILE 809 CO -0.12 0.52 0.10 -0.62 0.00 0.00 0.00 174.94 174.82 2qki s ASP 810 N -0.54 5.25 -0.49 3.58 2.15 0.15 -4.92 116.67 121.85 2qki s ASP 810 Ca 0.20 -1.21 -0.18 0.00 0.43 0.00 0.00 52.55 51.80 2qki s ASP 810 Cb -0.15 -1.84 0.06 0.00 -0.30 0.00 0.00 42.92 40.69 2qki s ASP 810 CO 0.09 -0.33 0.56 -0.22 -0.17 0.00 0.00 175.17 175.10 2qki s LEU 811 N 1.37 5.11 -0.79 -1.34 2.96 -1.26 -1.66 118.68 123.07 2qki s LEU 811 Ca -0.02 -0.99 -0.21 0.00 -0.22 0.00 0.00 54.13 52.69 2qki s LEU 811 Cb -0.20 -2.39 0.09 0.00 0.50 0.00 0.00 46.19 44.20 2qki s LEU 811 CO 0.02 -0.82 1.06 -0.13 -1.32 0.00 0.00 176.35 175.16 2qki s ARG 812 N 2.38 3.33 -0.04 1.98 1.81 -0.43 -5.02 118.95 122.96 2qki s ARG 812 Ca 0.12 -1.20 -0.05 0.00 -1.72 0.00 0.00 55.73 52.88 2qki s ARG 812 Cb -0.20 -4.57 -0.04 0.00 -0.45 0.00 0.00 34.95 29.69 2qki s ARG 812 CO 0.11 -1.83 0.18 -0.51 -0.68 0.00 0.00 175.30 172.57 2qki s LEU 813 N 3.61 4.38 1.09 2.53 1.43 -1.26 -3.68 118.68 126.78 2qki s LEU 813 Ca 0.28 0.42 -0.15 0.00 -1.03 0.00 0.00 54.13 53.64 2qki s LEU 813 Cb -0.11 -2.45 0.23 0.00 0.03 0.00 0.00 46.19 43.90 2qki s LEU 813 CO 0.01 0.31 1.10 -2.16 0.23 0.00 0.00 176.35 175.84 2qki s PRO 814 N -1.62 -0.33 0.02 1.29 0.04 -1.26 -4.99 135.00 128.16 2qki s PRO 814 Ca 0.23 0.27 -0.22 0.00 0.04 0.00 0.00 61.00 61.32 2qki s PRO 814 Cb -0.13 -1.67 -0.16 0.00 0.04 0.00 0.00 34.50 32.58 2qki s PRO 814 CO 0.14 -3.18 1.35 -0.92 0.04 0.00 0.00 177.00 174.42 2qki h TYR 815 N -2.21 0.25 -4.19 0.56 3.20 -1.95 -3.44 116.97 109.18 2qki h TYR 815 Ca -0.51 -0.07 -0.12 0.00 3.14 0.00 0.00 58.73 61.17 2qki h TYR 815 Cb 1.32 -0.06 -0.16 0.00 1.54 0.00 0.00 36.73 39.38 2qki h TYR 815 CO -0.67 0.60 -0.67 -1.54 -1.64 0.00 0.00 178.16 174.24 2qki s SER 816 N -5.90 0.45 0.05 -2.11 1.04 -1.26 -1.90 113.70 104.08 2qki s SER 816 Ca -0.15 -0.93 0.01 0.00 0.48 0.00 0.00 55.95 55.37 2qki s SER 816 Cb 0.04 0.20 -0.03 0.00 0.10 0.00 0.00 66.02 66.33 2qki s SER 816 CO 0.72 -0.57 -0.06 0.68 0.98 0.00 0.00 173.24 174.98 2qki s VAL 817 N -3.65 0.48 0.02 5.02 -7.23 0.36 -4.93 120.40 110.47 2qki s VAL 817 Ca 0.04 -1.32 -0.19 0.00 -1.81 0.00 0.00 61.98 58.70 2qki s VAL 817 Cb 0.06 -0.89 -0.06 0.00 0.56 0.00 0.00 36.38 36.05 2qki s VAL 817 CO -0.09 -0.57 0.55 -0.69 -0.31 0.00 0.00 175.10 173.98 2qki s VAL 818 N -2.15 4.87 0.29 1.32 1.01 -1.26 -0.54 120.40 123.93 2qki s VAL 818 Ca -0.04 1.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.79 2qki s VAL 818 Cb -0.05 -3.88 -0.13 0.00 0.00 0.00 0.00 36.38 32.33 2qki s VAL 818 CO -0.02 0.50 1.39 -1.14 0.00 0.00 0.00 175.10 175.83 2qki n ARG 819 N 2.20 2.16 -0.65 2.72 0.63 -0.22 -2.70 116.66 120.80 2qki n ARG 819 Ca -0.09 0.76 0.00 0.00 -0.92 0.00 0.00 57.85 57.60 2qki n ARG 819 Cb 0.51 -2.41 0.00 0.00 0.45 0.00 0.00 32.46 31.01 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 1.63 0.00 -4.77 6.15 3.02 0.13 -4.73 115.26 116.69 2qki n ASN 820 Ca 0.09 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.26 2qki n ASN 820 Cb 0.34 -0.67 -0.06 0.00 -0.61 0.00 0.00 39.78 38.78 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 -0.23 4.18 0.11 3.52 2.02 -1.10 -4.94 118.70 122.27 2qki s GLU 821 Ca 0.00 0.42 -0.30 0.00 0.02 0.00 0.00 54.97 55.11 2qki s GLU 821 Cb 0.00 -3.35 -0.06 0.00 0.10 0.00 0.00 34.13 30.82 2qki s GLU 821 CO 0.00 0.38 1.09 -1.14 0.02 0.00 0.00 175.26 175.61 2qki s GLN 822 N -0.09 4.56 0.11 1.61 0.74 -1.26 -4.23 119.66 121.11 2qki s GLN 822 Ca 0.24 1.66 0.03 0.00 0.05 0.00 0.00 55.36 57.34 2qki s GLN 822 Cb -0.16 -3.34 -0.04 0.00 1.10 0.00 0.00 33.01 30.58 2qki s GLN 822 CO 0.11 -0.02 -0.09 0.14 -0.55 0.00 0.00 175.29 174.89 2qki s VAL 823 N 0.34 0.91 -0.12 1.34 -7.23 -0.50 -4.99 120.40 110.15 2qki s VAL 823 Ca 0.52 -1.89 -0.01 0.00 -1.81 0.00 0.00 61.98 58.78 2qki s VAL 823 Cb -0.27 -1.64 -0.02 0.00 0.56 0.00 0.00 36.38 35.00 2qki s VAL 823 CO 0.32 -0.75 -0.07 -0.70 -0.31 0.00 0.00 175.10 173.58 2qki s GLU 824 N -3.52 3.29 0.38 4.82 2.12 -1.26 -0.81 118.70 123.73 2qki s GLU 824 Ca 0.12 -0.58 0.08 0.00 0.36 0.00 0.00 54.97 54.95 2qki s GLU 824 Cb 0.02 -2.73 -0.06 0.00 0.26 0.00 0.00 34.13 31.62 2qki s GLU 824 CO -0.02 0.37 0.09 0.96 -0.54 0.00 0.00 175.26 176.13 2qki s ILE 825 N -0.02 2.40 -0.03 -3.70 -4.36 -0.80 -4.97 121.20 109.71 2qki s ILE 825 Ca -0.01 -1.84 0.04 0.00 -0.26 0.00 0.00 60.65 58.58 2qki s ILE 825 Cb -0.14 -2.93 -0.00 0.00 1.25 0.00 0.00 42.46 40.64 2qki s ILE 825 CO 0.03 -0.08 -0.15 -0.13 0.24 0.00 0.00 174.94 174.85 2qki s ARG 826 N -3.80 1.53 -0.24 0.37 1.81 -1.24 -1.78 118.95 115.60 2qki s ARG 826 Ca 0.38 -0.55 -0.04 0.00 -1.72 0.00 0.00 55.73 53.80 2qki s ARG 826 Cb 0.03 -1.37 -0.00 0.00 -0.45 0.00 0.00 34.95 33.16 2qki s ARG 826 CO 0.21 0.24 -0.02 0.00 -0.68 0.00 0.00 175.30 175.04 2qki s ALA 827 N -0.02 2.84 -0.18 2.13 0.00 0.10 -1.31 121.76 125.32 2qki s ALA 827 Ca -0.02 -1.26 -0.06 0.00 0.00 0.00 0.00 51.96 50.62 2qki s ALA 827 Cb -0.10 -1.78 -0.04 0.00 0.00 0.00 0.00 23.12 21.21 2qki s ALA 827 CO 0.01 -0.57 0.03 0.08 0.00 0.00 0.00 175.76 175.31 2qki s VAL 828 N 1.46 4.47 -0.13 0.00 1.01 -0.66 0.90 120.40 127.43 2qki s VAL 828 Ca 0.04 -0.15 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 2qki s VAL 828 Cb -0.15 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 2qki s VAL 828 CO -0.03 0.46 0.06 -0.76 0.00 0.00 0.00 175.10 174.84 2qki s LEU 829 N 0.48 3.90 -0.18 3.92 1.43 0.07 -0.68 118.68 127.62 2qki s LEU 829 Ca 0.01 0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.30 2qki s LEU 829 Cb -0.13 -1.95 -0.00 0.00 0.03 0.00 0.00 46.19 44.14 2qki s LEU 829 CO 0.01 0.30 -0.11 -0.31 0.23 0.00 0.00 176.35 176.48 2qki s TYR 830 N -0.42 2.86 -0.37 0.29 2.02 -0.01 -1.67 117.35 120.05 2qki s TYR 830 Ca 0.10 -0.99 -0.05 0.00 -0.37 0.00 0.00 57.07 55.75 2qki s TYR 830 Cb -0.12 -1.97 0.07 0.00 -0.40 0.00 0.00 41.96 39.54 2qki s TYR 830 CO 0.02 -0.49 0.15 1.21 -1.57 0.00 0.00 175.55 174.87 2qki s ASN 831 N 1.04 5.29 -0.12 2.29 2.47 0.49 -2.69 114.94 123.71 2qki s ASN 831 Ca -0.00 -1.53 0.16 0.00 0.42 0.00 0.00 52.86 51.91 2qki s ASN 831 Cb -0.15 -1.86 0.60 0.00 -1.45 0.00 0.00 41.25 38.40 2qki s ASN 831 CO -0.02 -0.43 1.51 -1.22 -3.72 0.00 0.00 177.10 173.22 2qki n TYR 832 N 4.74 1.20 -1.79 0.43 4.01 0.13 -1.08 117.16 124.80 2qki n TYR 832 Ca -0.09 -0.68 -0.42 0.00 -0.16 0.00 0.00 57.90 56.56 2qki n TYR 832 Cb 0.43 -0.25 -0.02 0.00 -0.31 0.00 0.00 39.34 39.19 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 -2.06 4.13 0.00 -0.72 1.81 -1.25 -4.74 118.95 116.12 2qki s ARG 833 Ca 0.44 2.56 -0.25 0.00 -1.72 0.00 0.00 55.73 56.75 2qki s ARG 833 Cb 0.30 -3.04 -0.19 0.00 -0.45 0.00 0.00 34.95 31.57 2qki s ARG 833 CO 0.18 -0.64 1.37 0.37 -0.68 0.00 0.00 175.30 175.89 2qki h GLN 834 N 5.30 -0.00 -0.12 3.54 5.75 -1.96 -2.44 115.11 125.18 2qki h GLN 834 Ca -0.46 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 57.84 2qki h GLN 834 Cb 1.22 0.00 -0.39 0.00 1.07 0.00 0.00 27.48 29.38 2qki h GLN 834 CO 0.83 0.38 -1.06 0.27 -2.65 0.00 0.00 178.83 176.60 2qki n ASN 835 N -4.91 1.17 -3.89 -0.69 6.94 -1.26 -4.58 115.26 108.04 2qki n ASN 835 Ca -0.08 -2.02 -0.18 0.00 -0.02 0.00 0.00 54.58 52.28 2qki n ASN 835 Cb 0.20 -0.35 -0.16 0.00 -2.36 0.00 0.00 39.78 37.12 2qki n ASN 835 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qki s GLN 836 N -1.07 0.55 0.48 -3.83 -2.07 -1.26 -4.98 119.66 107.48 2qki s GLN 836 Ca 0.32 -0.07 -0.07 0.00 -1.82 0.00 0.00 55.36 53.71 2qki s GLN 836 Cb 0.37 -0.60 -0.04 0.00 -1.09 0.00 0.00 33.01 31.65 2qki s GLN 836 CO -0.13 -0.04 0.81 -1.83 -1.32 0.00 0.00 175.29 172.78 2qki s GLU 837 N 0.63 3.61 -0.12 9.60 -1.05 -1.26 -4.05 118.70 126.07 2qki s GLU 837 Ca -0.07 0.34 0.02 0.00 -0.15 0.00 0.00 54.97 55.11 2qki s GLU 837 Cb -0.11 -2.34 0.01 0.00 -0.44 0.00 0.00 34.13 31.25 2qki s GLU 837 CO -0.00 -0.21 -0.19 -0.51 0.95 0.00 0.00 175.26 175.30 2qki s LEU 838 N -4.57 1.93 -0.27 1.83 1.43 0.40 -4.97 118.68 114.45 2qki s LEU 838 Ca 0.49 -0.51 -0.19 0.00 -1.03 0.00 0.00 54.13 52.89 2qki s LEU 838 Cb -0.10 -1.27 -0.02 0.00 0.03 0.00 0.00 46.19 44.83 2qki s LEU 838 CO 0.43 0.06 0.57 -0.75 0.23 0.00 0.00 176.35 176.88 2qki s LYS 839 N 0.81 4.01 -0.03 1.70 2.20 -1.26 -0.66 119.74 126.52 2qki s LYS 839 Ca -0.09 0.34 0.03 0.00 -0.36 0.00 0.00 55.97 55.89 2qki s LYS 839 Cb -0.16 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.49 2qki s LYS 839 CO -0.00 -0.43 -0.11 0.14 -0.36 0.00 0.00 175.35 174.58 2qki s VAL 840 N 2.43 0.96 -0.12 4.02 -7.23 0.44 -0.37 120.40 120.52 2qki s VAL 840 Ca 0.23 -0.46 -0.25 0.00 -1.81 0.00 0.00 61.98 59.69 2qki s VAL 840 Cb -0.15 -0.84 -0.02 0.00 0.56 0.00 0.00 36.38 35.93 2qki s VAL 840 CO 0.10 0.29 0.82 -0.60 -0.31 0.00 0.00 175.10 175.40 2qki s ARG 841 N 0.12 4.36 0.07 4.82 3.52 0.07 -1.08 118.95 130.84 2qki s ARG 841 Ca -0.03 1.04 0.09 0.00 -0.13 0.00 0.00 55.73 56.70 2qki s ARG 841 Cb -0.09 -3.53 -0.03 0.00 -1.56 0.00 0.00 34.95 29.74 2qki s ARG 841 CO 0.01 -0.20 -0.25 0.08 -0.81 0.00 0.00 175.30 174.13 2qki s VAL 842 N 1.68 2.07 -0.12 7.11 1.01 0.98 -0.94 120.40 132.20 2qki s VAL 842 Ca 0.40 -1.47 -0.08 0.00 0.00 0.00 0.00 61.98 60.83 2qki s VAL 842 Cb -0.17 -1.80 0.04 0.00 0.00 0.00 0.00 36.38 34.45 2qki s VAL 842 CO 0.16 0.24 0.29 -0.70 0.00 0.00 0.00 175.10 175.09 2qki s GLU 843 N -1.49 0.30 -0.26 2.72 2.12 0.09 -0.73 118.70 121.45 2qki s GLU 843 Ca 0.11 0.50 -0.17 0.00 0.36 0.00 0.00 54.97 55.78 2qki s GLU 843 Cb -0.10 0.03 -0.03 0.00 0.26 0.00 0.00 34.13 34.29 2qki s GLU 843 CO 0.03 -0.10 0.46 -1.17 -0.54 0.00 0.00 175.26 173.94 2qki s LEU 844 N 0.73 4.06 0.53 2.70 2.96 -1.00 -1.01 118.68 127.65 2qki s LEU 844 Ca -0.05 0.45 -0.21 0.00 -0.22 0.00 0.00 54.13 54.10 2qki s LEU 844 Cb -0.06 -2.57 -0.05 0.00 0.50 0.00 0.00 46.19 44.01 2qki s LEU 844 CO -0.05 -0.23 1.21 -0.76 -1.32 0.00 0.00 176.35 175.20 2qki s LEU 845 N 2.12 3.84 0.38 -0.68 1.02 -0.42 -4.27 118.68 120.67 2qki s LEU 845 Ca 0.19 2.40 -0.27 0.00 0.02 0.00 0.00 54.13 56.47 2qki s LEU 845 Cb -0.16 -4.41 -0.09 0.00 0.02 0.00 0.00 46.19 41.55 2qki s LEU 845 CO 0.09 -1.30 1.30 -2.28 0.02 0.00 0.00 176.35 174.19 2qki s HIS 846 N -1.55 2.90 -0.21 0.29 5.65 -1.26 -4.78 115.29 116.34 2qki s HIS 846 Ca 0.71 1.42 -0.06 0.00 0.25 0.00 0.00 55.06 57.37 2qki s HIS 846 Cb -0.31 -3.66 0.10 0.00 -1.18 0.00 0.00 32.58 27.53 2qki s HIS 846 CO 0.35 -1.99 0.42 1.21 -0.65 0.00 0.00 174.74 174.09 2qki s ASN 847 N -0.67 -0.20 0.50 9.88 3.84 -1.26 -5.05 114.94 121.98 2qki s ASN 847 Ca 0.54 0.86 0.34 0.00 0.21 0.00 0.00 52.86 54.81 2qki s ASN 847 Cb -0.38 1.34 1.83 0.00 -0.55 0.00 0.00 41.25 43.49 2qki s ASN 847 CO 0.50 -0.24 2.03 -0.65 -2.79 0.00 0.00 177.10 175.94 2qki h PRO 848 N 8.17 0.00 0.00 0.43 0.11 -1.98 -0.72 132.00 138.01 2qki h PRO 848 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 2qki h PRO 848 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2qki h PRO 848 CO 0.15 0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 177.87 2qki n ALA 849 N -1.93 2.51 -2.57 -0.75 0.00 -1.26 -4.81 120.51 111.70 2qki n ALA 849 Ca -0.02 -0.14 -0.22 0.00 0.00 0.00 0.00 53.44 53.06 2qki n ALA 849 Cb 0.06 -1.42 -0.14 0.00 0.00 0.00 0.00 19.45 17.95 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 -3.00 1.45 -0.16 0.00 0.08 -0.28 -0.07 117.98 116.01 2qki s PHE 850 Ca 0.14 -0.34 -0.18 0.00 0.12 0.00 0.00 56.93 56.66 2qki s PHE 850 Cb 0.19 -0.88 -0.04 0.00 -0.57 0.00 0.00 43.02 41.72 2qki s PHE 850 CO 0.56 0.04 0.48 0.00 -0.10 0.00 0.00 175.22 176.20 2qki n SER 852 N 4.14 0.00 0.04 0.00 3.41 -1.26 -0.60 113.62 119.36 2qki n SER 852 Ca -0.06 -0.45 0.13 0.00 -0.26 0.00 0.00 58.87 58.22 2qki n SER 852 Cb 0.51 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.79 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 0.54 -4.78 1.04 4.77 -1.26 -4.85 117.00 112.45 2qki n LEU 853 Ca 0.00 0.30 -0.38 0.00 -0.03 0.00 0.00 56.01 55.90 2qki n LEU 853 Cb 0.00 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 40.74 2qki n LEU 853 CO 0.00 -0.03 0.53 0.00 -1.33 0.00 0.00 177.39 176.56 2qki s ALA 854 N -3.08 3.38 0.32 -1.18 0.00 -1.26 -4.53 121.76 115.41 2qki s ALA 854 Ca 0.10 0.39 0.02 0.00 0.00 0.00 0.00 51.96 52.47 2qki s ALA 854 Cb 0.15 -3.01 -0.01 0.00 0.00 0.00 0.00 23.12 20.25 2qki s ALA 854 CO 0.65 0.27 0.07 0.25 0.00 0.00 0.00 175.76 177.00 2qki n THR 855 N 1.19 0.00 -0.30 0.00 -2.24 0.15 -4.83 114.28 108.26 2qki n THR 855 Ca -0.03 -1.75 -0.05 0.00 -2.27 0.00 0.00 64.05 59.95 2qki n THR 855 Cb 0.49 0.53 0.07 0.00 -2.10 0.00 0.00 70.33 69.32 2qki n THR 855 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2qki h THR 856 N 1.39 1.26 -0.35 4.28 2.02 -1.98 -3.28 112.91 116.25 2qki h THR 856 Ca -0.26 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.19 2qki h THR 856 Cb 0.91 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 2qki h THR 856 CO 0.42 0.31 0.00 2.29 0.37 0.00 0.00 175.52 178.91 2qki n LYS 857 N -4.32 2.29 -3.67 6.66 2.85 -1.26 -4.94 118.16 115.76 2qki n LYS 857 Ca 0.08 -2.09 -0.10 0.00 -1.05 0.00 0.00 58.31 55.15 2qki n LYS 857 Cb 0.14 -1.42 -0.10 0.00 -0.65 0.00 0.00 35.03 33.00 2qki n LYS 857 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 2qki s ARG 858 N -1.25 0.32 0.37 -1.58 3.52 -1.24 -5.15 118.95 113.94 2qki s ARG 858 Ca 0.32 0.92 -0.25 0.00 -0.13 0.00 0.00 55.73 56.59 2qki s ARG 858 Cb 0.19 0.18 -0.09 0.00 -1.56 0.00 0.00 34.95 33.66 2qki s ARG 858 CO 0.26 -0.23 1.06 1.03 -0.81 0.00 0.00 175.30 176.61 2qki s ARG 859 N 2.22 4.29 -1.10 5.12 0.52 -1.26 0.34 118.95 129.08 2qki s ARG 859 Ca -0.04 1.58 -0.10 0.00 -0.52 0.00 0.00 55.73 56.65 2qki s ARG 859 Cb -0.11 -2.71 0.26 0.00 0.52 0.00 0.00 34.95 32.91 2qki s ARG 859 CO -0.12 -0.04 1.12 -1.58 0.02 0.00 0.00 175.30 174.69 2qki s HIS 860 N -1.53 4.15 0.31 -0.53 5.65 -1.26 -4.83 115.29 117.25 2qki s HIS 860 Ca 0.54 -2.57 0.10 0.00 0.25 0.00 0.00 55.06 53.38 2qki s HIS 860 Cb -0.25 -3.89 -0.05 0.00 -1.18 0.00 0.00 32.58 27.21 2qki s HIS 860 CO 0.31 -1.00 -0.04 1.14 -0.65 0.00 0.00 174.74 174.49 2qki s GLN 861 N -0.83 2.04 -0.04 2.88 -2.07 -1.26 -2.37 119.66 118.01 2qki s GLN 861 Ca 0.31 -1.67 -0.21 0.00 -1.82 0.00 0.00 55.36 51.96 2qki s GLN 861 Cb -0.09 -1.95 0.04 0.00 -1.09 0.00 0.00 33.01 29.92 2qki s GLN 861 CO -0.07 0.24 0.46 -0.65 -1.32 0.00 0.00 175.29 173.95 2qki s GLN 862 N -3.66 0.81 -0.14 9.60 -0.21 0.10 -4.99 119.66 121.16 2qki s GLN 862 Ca 0.33 0.06 -0.03 0.00 0.02 0.00 0.00 55.36 55.74 2qki s GLN 862 Cb -0.03 0.37 -0.03 0.00 1.00 0.00 0.00 33.01 34.33 2qki s GLN 862 CO 0.18 -0.23 -0.03 0.99 -2.12 0.00 0.00 175.29 174.08 2qki s THR 863 N -1.13 3.95 0.19 -0.19 2.01 -1.26 -0.01 115.64 119.20 2qki s THR 863 Ca -0.11 -0.35 0.02 0.00 0.31 0.00 0.00 61.69 61.56 2qki s THR 863 Cb -0.03 -2.71 -0.05 0.00 0.01 0.00 0.00 72.50 69.72 2qki s THR 863 CO 0.06 0.52 -0.00 0.68 -0.69 0.00 0.00 174.62 175.18 2qki s VAL 864 N 0.09 0.79 -0.13 3.82 -7.23 -0.24 -4.99 120.40 112.51 2qki s VAL 864 Ca -0.00 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 2qki s VAL 864 Cb -0.13 -2.17 0.01 0.00 0.56 0.00 0.00 36.38 34.65 2qki s VAL 864 CO 0.03 -0.44 -0.17 0.42 -0.31 0.00 0.00 175.10 174.62 2qki s THR 865 N -3.58 1.72 -0.24 5.32 -4.23 -1.26 -0.42 115.64 112.94 2qki s THR 865 Ca 0.25 -0.76 -0.09 0.00 -1.18 0.00 0.00 61.69 59.90 2qki s THR 865 Cb 0.06 -1.55 -0.04 0.00 1.34 0.00 0.00 72.50 72.30 2qki s THR 865 CO 0.05 0.48 0.13 -0.63 -0.54 0.00 0.00 174.62 174.11 2qki s ILE 866 N 1.03 5.00 0.87 2.99 1.01 0.17 -4.93 121.20 127.34 2qki s ILE 866 Ca -0.04 0.06 -0.11 0.00 0.00 0.00 0.00 60.65 60.55 2qki s ILE 866 Cb -0.15 -3.33 0.12 0.00 0.01 0.00 0.00 42.46 39.11 2qki s ILE 866 CO -0.04 0.34 1.09 -2.16 0.00 0.00 0.00 174.94 174.17 2qki s PRO 867 N 1.25 1.44 0.45 2.79 0.04 -1.26 -0.45 135.00 139.26 2qki s PRO 867 Ca 0.06 0.88 -0.24 0.00 0.04 0.00 0.00 61.00 61.74 2qki s PRO 867 Cb -0.14 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 2qki s PRO 867 CO 0.05 -2.13 1.20 -0.35 0.04 0.00 0.00 177.00 175.81 2qki n PRO 868 N -3.82 1.69 -3.76 0.56 -0.04 -1.26 -3.41 135.00 124.97 2qki n PRO 868 Ca 0.07 0.61 -0.23 0.00 -0.04 0.00 0.00 63.50 63.91 2qki n PRO 868 Cb 0.55 -2.31 0.02 0.00 -0.04 0.00 0.00 33.50 31.71 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 -0.14 -4.00 -2.13 0.54 4.76 -0.41 -4.97 118.16 111.81 2qki n LYS 869 Ca 0.08 0.55 -0.04 0.00 -2.87 0.00 0.00 58.31 56.03 2qki n LYS 869 Cb 0.41 -4.90 0.00 0.00 -1.84 0.00 0.00 35.03 28.70 2qki n LYS 869 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2qki n SER 870 N -3.00 -0.69 -4.10 4.39 3.41 -0.24 -4.99 113.62 108.40 2qki n SER 870 Ca -0.28 -1.60 -0.07 0.00 -0.26 0.00 0.00 58.87 56.66 2qki n SER 870 Cb 0.67 1.19 -0.10 0.00 -0.26 0.00 0.00 64.21 65.71 2qki n SER 870 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2qki s SER 871 N -1.74 0.54 -0.05 4.04 1.04 -1.26 -0.38 113.70 115.90 2qki s SER 871 Ca 0.07 -1.00 -0.02 0.00 0.48 0.00 0.00 55.95 55.49 2qki s SER 871 Cb -0.01 0.19 0.04 0.00 0.10 0.00 0.00 66.02 66.33 2qki s SER 871 CO 0.05 -0.59 0.10 -0.22 0.98 0.00 0.00 173.24 173.56 2qki s LEU 872 N -2.92 0.61 0.13 2.42 2.96 -0.67 -4.97 118.68 116.24 2qki s LEU 872 Ca 0.07 0.19 -0.30 0.00 -0.22 0.00 0.00 54.13 53.87 2qki s LEU 872 Cb 0.08 0.13 -0.06 0.00 0.50 0.00 0.00 46.19 46.83 2qki s LEU 872 CO -0.10 -0.18 0.98 -0.44 -1.32 0.00 0.00 176.35 175.30 2qki s SER 873 N 1.49 7.47 -0.26 3.68 0.01 -1.26 -0.75 113.70 124.08 2qki s SER 873 Ca -0.05 1.86 0.02 0.00 1.31 0.00 0.00 55.95 59.10 2qki s SER 873 Cb -0.12 -2.59 0.06 0.00 0.21 0.00 0.00 66.02 63.58 2qki s SER 873 CO -0.04 -0.07 -0.08 -0.69 0.41 0.00 0.00 173.24 172.77 2qki s VAL 874 N -0.16 1.99 0.30 3.43 1.01 0.26 -4.97 120.40 122.26 2qki s VAL 874 Ca 0.47 -1.58 -0.21 0.00 0.00 0.00 0.00 61.98 60.65 2qki s VAL 874 Cb -0.25 -2.18 -0.09 0.00 0.00 0.00 0.00 36.38 33.86 2qki s VAL 874 CO 0.31 -0.10 0.83 -2.16 0.00 0.00 0.00 175.10 173.97 2qki s PRO 875 N 1.17 4.33 -0.05 2.72 0.04 -1.26 -0.72 135.00 141.23 2qki s PRO 875 Ca -0.06 1.03 0.01 0.00 0.04 0.00 0.00 61.00 62.02 2qki s PRO 875 Cb -0.20 -2.70 0.02 0.00 0.04 0.00 0.00 34.50 31.67 2qki s PRO 875 CO -0.06 0.27 -0.04 0.71 0.04 0.00 0.00 177.00 177.92 2qki s TYR 876 N -1.70 0.75 -0.15 0.56 2.02 -0.73 -4.96 117.35 113.13 2qki s TYR 876 Ca 0.49 -0.21 -0.16 0.00 -0.37 0.00 0.00 57.07 56.82 2qki s TYR 876 Cb -0.15 -0.69 -0.04 0.00 -0.40 0.00 0.00 41.96 40.68 2qki s TYR 876 CO 0.20 -0.21 0.40 0.14 -1.57 0.00 0.00 175.55 174.51 2qki s VAL 877 N 1.03 5.23 0.07 0.71 -7.23 -1.26 -1.91 120.40 117.04 2qki s VAL 877 Ca -0.09 0.76 0.02 0.00 -1.81 0.00 0.00 61.98 60.86 2qki s VAL 877 Cb -0.14 -3.73 -0.03 0.00 0.56 0.00 0.00 36.38 33.03 2qki s VAL 877 CO -0.01 0.33 -0.08 0.27 -0.31 0.00 0.00 175.10 175.30 2qki s ILE 878 N 0.76 0.65 -0.19 -0.62 -4.36 0.01 -4.60 121.20 112.86 2qki s ILE 878 Ca 0.21 -1.43 0.01 0.00 -0.26 0.00 0.00 60.65 59.18 2qki s ILE 878 Cb -0.14 -1.06 0.04 0.00 1.25 0.00 0.00 42.46 42.55 2qki s ILE 878 CO 0.07 -0.56 -0.10 -0.69 0.24 0.00 0.00 174.94 173.91 2qki s VAL 879 N -2.23 1.57 -0.03 8.37 1.01 0.24 -1.40 120.40 127.92 2qki s VAL 879 Ca -0.01 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 2qki s VAL 879 Cb -0.04 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 2qki s VAL 879 CO -0.01 0.20 1.42 -2.84 0.00 0.00 0.00 175.10 173.87 2qki s PRO 880 N 1.44 4.26 -0.02 2.72 0.02 -1.26 0.08 135.00 142.24 2qki s PRO 880 Ca -0.00 1.96 0.16 0.00 0.02 0.00 0.00 61.00 63.14 2qki s PRO 880 Cb -0.16 -3.67 -0.23 0.00 0.02 0.00 0.00 34.50 30.47 2qki s PRO 880 CO -0.08 -0.64 0.42 1.28 -0.33 0.00 0.00 177.00 177.65 2qki n LEU 881 N 5.83 0.16 -4.02 -5.54 4.77 0.89 0.19 117.00 119.29 2qki n LEU 881 Ca 0.14 -0.11 -0.22 0.00 -0.03 0.00 0.00 56.01 55.78 2qki n LEU 881 Cb 0.44 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.37 2qki n LEU 881 CO 0.59 0.04 -0.45 -0.54 -1.33 0.00 0.00 177.39 175.69 2qki s LYS 882 N -2.96 1.29 0.79 3.23 1.02 -1.20 -4.87 119.74 117.04 2qki s LYS 882 Ca -0.03 -0.36 -0.11 0.00 0.02 0.00 0.00 55.97 55.48 2qki s LYS 882 Cb 0.11 -1.14 0.07 0.00 -0.52 0.00 0.00 37.83 36.34 2qki s LYS 882 CO 0.66 0.09 1.11 0.95 -0.92 0.00 0.00 175.35 177.24 2qki s THR 883 N 0.37 3.03 0.00 2.17 -4.23 -1.26 -4.78 115.64 110.95 2qki s THR 883 Ca -0.07 0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 2qki s THR 883 Cb -0.12 -2.75 0.00 0.00 1.34 0.00 0.00 72.50 70.98 2qki s THR 883 CO 0.02 -0.42 0.00 0.61 -0.54 0.00 0.00 174.62 174.29 2qki n GLY 884 N -0.81 -0.93 3.57 3.99 0.00 0.13 -4.91 105.19 106.23 2qki n GLY 884 Ca 0.10 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 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 4.26 0.26 0.99 2.96 -1.26 -0.60 118.68 125.29 2qki s LEU 885 Ca 0.00 0.14 0.07 0.00 -0.22 0.00 0.00 54.13 54.12 2qki s LEU 885 Cb 0.00 -2.70 -0.05 0.00 0.50 0.00 0.00 46.19 43.94 2qki s LEU 885 CO 0.00 -0.51 -0.08 -1.10 -1.32 0.00 0.00 176.35 173.34 2qki s GLN 886 N 2.54 1.48 0.05 1.98 -1.52 -0.74 -4.96 119.66 118.49 2qki s GLN 886 Ca 0.22 -1.73 0.08 0.00 -1.95 0.00 0.00 55.36 51.98 2qki s GLN 886 Cb -0.15 -1.12 -0.03 0.00 -0.22 0.00 0.00 33.01 31.49 2qki s GLN 886 CO 0.13 0.07 -0.24 -1.21 -0.25 0.00 0.00 175.29 173.80 2qki s GLU 887 N -3.71 1.57 -0.08 2.91 2.02 -1.26 -1.49 118.70 118.65 2qki s GLU 887 Ca 0.28 -1.04 0.02 0.00 0.02 0.00 0.00 54.97 54.25 2qki s GLU 887 Cb 0.03 -1.73 -0.02 0.00 0.10 0.00 0.00 34.13 32.50 2qki s GLU 887 CO 0.10 0.44 -0.14 0.08 0.02 0.00 0.00 175.26 175.76 2qki s VAL 888 N -0.82 3.00 -0.08 2.63 1.01 -0.51 -4.98 120.40 120.65 2qki s VAL 888 Ca 0.10 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.37 2qki s VAL 888 Cb -0.09 -2.20 0.02 0.00 0.00 0.00 0.00 36.38 34.10 2qki s VAL 888 CO 0.02 0.56 -0.10 -0.70 0.00 0.00 0.00 175.10 174.88 2qki s GLU 889 N -0.26 1.55 -0.10 2.72 2.12 -1.26 -1.80 118.70 121.67 2qki s GLU 889 Ca 0.01 -0.33 0.02 0.00 0.36 0.00 0.00 54.97 55.03 2qki s GLU 889 Cb -0.13 -1.39 0.01 0.00 0.26 0.00 0.00 34.13 32.88 2qki s GLU 889 CO 0.03 -0.07 -0.14 0.08 -0.54 0.00 0.00 175.26 174.61 2qki s VAL 890 N 0.99 1.43 -0.02 3.70 1.01 -0.58 -1.30 120.40 125.64 2qki s VAL 890 Ca -0.09 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.35 2qki s VAL 890 Cb -0.15 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 2qki s VAL 890 CO -0.00 0.43 -0.20 -0.54 0.00 0.00 0.00 175.10 174.79 2qki s LYS 891 N 0.97 2.25 0.00 2.72 1.02 -0.18 -1.40 119.74 125.13 2qki s LYS 891 Ca -0.07 -0.85 0.02 0.00 0.02 0.00 0.00 55.97 55.08 2qki s LYS 891 Cb -0.15 -2.20 -0.01 0.00 -0.52 0.00 0.00 37.83 34.95 2qki s LYS 891 CO -0.01 0.58 -0.05 0.00 -0.92 0.00 0.00 175.35 174.95 2qki s ALA 892 N -0.73 0.44 0.04 5.17 0.00 0.11 -0.73 121.76 126.05 2qki s ALA 892 Ca 0.12 -0.28 0.04 0.00 0.00 0.00 0.00 51.96 51.83 2qki s ALA 892 Cb -0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 2qki s ALA 892 CO 0.01 0.09 -0.11 0.00 0.00 0.00 0.00 175.76 175.75 2qki s ALA 893 N -0.26 0.89 -0.12 0.00 0.00 -0.12 -0.95 121.76 121.20 2qki s ALA 893 Ca 0.01 -0.73 -0.06 0.00 0.00 0.00 0.00 51.96 51.17 2qki s ALA 893 Cb -0.03 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 2qki s ALA 893 CO -0.00 0.13 0.11 0.14 0.00 0.00 0.00 175.76 176.14 2qki s VAL 894 N -0.92 5.22 0.13 0.00 -7.23 -0.88 -0.75 120.40 115.97 2qki s VAL 894 Ca -0.02 0.10 -0.31 0.00 -1.81 0.00 0.00 61.98 59.94 2qki s VAL 894 Cb -0.08 -3.27 -0.08 0.00 0.56 0.00 0.00 36.38 33.52 2qki s VAL 894 CO 0.01 0.61 1.35 -0.31 -0.31 0.00 0.00 175.10 176.44 2qki s TYR 895 N -0.91 3.27 0.00 2.82 1.51 0.51 -3.66 117.35 120.89 2qki s TYR 895 Ca 0.14 1.07 0.00 0.00 -1.01 0.00 0.00 57.07 57.27 2qki s TYR 895 Cb -0.12 -3.63 0.00 0.00 -0.11 0.00 0.00 41.96 38.10 2qki s TYR 895 CO 0.03 -2.12 0.00 0.72 -1.11 0.00 0.00 175.55 173.07 2qki n HIS 896 N 3.58 0.00 -4.38 2.71 8.25 0.61 -4.73 115.22 121.25 2qki n HIS 896 Ca 0.10 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.27 2qki n HIS 896 Cb 0.43 -0.13 -0.13 0.00 1.12 0.00 0.00 29.99 31.28 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 -3.08 2.26 -1.36 4.41 3.76 -1.24 -5.05 115.29 114.99 2qki s HIS 897 Ca 0.00 -0.38 -0.07 0.00 -0.15 0.00 0.00 55.06 54.45 2qki s HIS 897 Cb 0.00 -1.22 0.01 0.00 1.11 0.00 0.00 32.58 32.47 2qki s HIS 897 CO 0.00 0.33 2.72 0.34 -0.85 0.00 0.00 174.74 177.28 2qki n PHE 898 N 0.92 2.35 -5.08 1.40 7.35 -1.26 -4.58 117.46 118.57 2qki n PHE 898 Ca -0.18 -2.85 -0.30 0.00 -0.76 0.00 0.00 57.45 53.36 2qki n PHE 898 Cb 0.53 -2.10 -0.15 0.00 0.35 0.00 0.00 39.48 38.11 2qki n PHE 898 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 2qki s ILE 899 N 0.37 2.03 0.22 -2.13 -1.09 -1.26 -5.09 121.20 114.26 2qki s ILE 899 Ca 0.62 -1.21 -0.22 0.00 -2.23 0.00 0.00 60.65 57.60 2qki s ILE 899 Cb 0.20 -1.71 0.04 0.00 -1.58 0.00 0.00 42.46 39.41 2qki s ILE 899 CO -0.08 0.46 0.75 -0.94 -1.23 0.00 0.00 174.94 173.90 2qki s SER 900 N -0.90 -0.30 -0.24 3.58 1.04 -1.26 -2.07 113.70 113.55 2qki s SER 900 Ca 0.10 -0.44 -0.19 0.00 0.48 0.00 0.00 55.95 55.91 2qki s SER 900 Cb -0.10 0.65 0.07 0.00 0.10 0.00 0.00 66.02 66.74 2qki s SER 900 CO 0.00 -1.17 0.63 -0.62 0.98 0.00 0.00 173.24 173.06 2qki s ASP 901 N -2.88 -0.74 0.09 7.02 2.15 -0.13 -4.97 116.67 117.22 2qki s ASP 901 Ca 0.09 1.31 0.08 0.00 0.43 0.00 0.00 52.55 54.47 2qki s ASP 901 Cb -0.04 1.27 -0.03 0.00 -0.30 0.00 0.00 42.92 43.82 2qki s ASP 901 CO 0.02 -0.22 -0.21 -0.83 -0.17 0.00 0.00 175.17 173.75 2qki s GLY 902 N 0.87 1.23 -0.06 2.66 0.00 -1.26 0.07 107.32 110.82 2qki s GLY 902 Ca -0.04 -1.21 0.01 0.00 0.00 0.00 0.00 44.72 43.47 2qki s GLY 902 CO -0.07 -1.19 -0.06 0.14 0.00 0.00 0.00 173.10 171.92 2qki s VAL 903 N -1.05 0.70 -0.12 1.40 1.01 -0.49 0.05 120.40 121.91 2qki s VAL 903 Ca 0.07 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 61.91 2qki s VAL 903 Cb -0.10 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.56 2qki s VAL 903 CO 0.04 0.28 -0.23 0.00 0.00 0.00 0.00 175.10 175.19 2qki s ARG 904 N 1.19 2.97 0.07 2.72 1.70 -0.71 -1.52 118.95 125.36 2qki s ARG 904 Ca -0.06 -0.84 0.06 0.00 -0.47 0.00 0.00 55.73 54.42 2qki s ARG 904 Cb -0.14 -2.31 -0.03 0.00 -0.57 0.00 0.00 34.95 31.90 2qki s ARG 904 CO -0.02 0.09 -0.18 0.15 -1.08 0.00 0.00 175.30 174.27 2qki s LYS 905 N 0.56 1.06 0.23 3.89 1.02 -0.75 -4.58 119.74 121.17 2qki s LYS 905 Ca -0.14 -0.96 -0.06 0.00 0.02 0.00 0.00 55.97 54.83 2qki s LYS 905 Cb -0.17 -1.17 -0.06 0.00 -0.52 0.00 0.00 37.83 35.92 2qki s LYS 905 CO 0.04 0.28 0.49 -1.12 -0.92 0.00 0.00 175.35 174.12 2qki s SER 906 N -1.52 6.50 0.11 2.83 0.01 -1.26 -1.42 113.70 118.95 2qki s SER 906 Ca 0.03 0.71 -0.05 0.00 1.31 0.00 0.00 55.95 57.95 2qki s SER 906 Cb -0.09 -2.14 -0.02 0.00 0.21 0.00 0.00 66.02 63.98 2qki s SER 906 CO 0.02 -0.09 0.14 -1.48 0.41 0.00 0.00 173.24 172.25 2qki s LEU 907 N -3.11 1.60 -0.19 2.44 0.05 -0.56 -4.98 118.68 113.93 2qki s LEU 907 Ca 0.44 -0.91 -0.15 0.00 0.05 0.00 0.00 54.13 53.55 2qki s LEU 907 Cb -0.11 0.73 -0.04 0.00 -2.05 0.00 0.00 46.19 44.72 2qki s LEU 907 CO 0.26 -0.75 0.37 -0.54 -0.55 0.00 0.00 176.35 175.14 2qki s LYS 908 N -3.95 4.19 -0.26 1.48 1.02 -0.80 -1.80 119.74 119.63 2qki s LYS 908 Ca 0.13 0.16 -0.09 0.00 0.02 0.00 0.00 55.97 56.19 2qki s LYS 908 Cb 0.06 -3.51 -0.04 0.00 -0.52 0.00 0.00 37.83 33.81 2qki s LYS 908 CO -0.05 0.02 0.13 0.08 -0.92 0.00 0.00 175.35 174.62 2qki s VAL 909 N 1.12 4.84 0.09 3.17 1.01 0.23 -0.49 120.40 130.38 2qki s VAL 909 Ca 0.18 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.21 2qki s VAL 909 Cb -0.14 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2qki s VAL 909 CO 0.07 0.30 0.05 0.68 0.00 0.00 0.00 175.10 176.20 2qki s VAL 910 N 1.62 4.30 0.99 2.92 -7.23 0.30 -0.69 120.40 122.61 2qki s VAL 910 Ca 0.07 -0.89 -0.11 0.00 -1.81 0.00 0.00 61.98 59.23 2qki s VAL 910 Cb -0.15 -3.07 0.17 0.00 0.56 0.00 0.00 36.38 33.88 2qki s VAL 910 CO 0.07 0.10 1.01 -0.81 -0.31 0.00 0.00 175.10 175.16 2qki n PRO 911 N 0.44 -0.94 -4.16 4.82 -0.04 -1.26 -1.05 135.00 132.81 2qki n PRO 911 Ca -0.09 -0.22 -0.33 0.00 -0.04 0.00 0.00 63.50 62.81 2qki n PRO 911 Cb 0.52 -2.26 -0.08 0.00 -0.04 0.00 0.00 33.50 31.65 2qki n PRO 911 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2qki s GLU 912 N -4.44 3.01 -0.11 0.54 -1.05 -1.26 -4.66 118.70 110.73 2qki s GLU 912 Ca 0.66 -0.49 -0.04 0.00 -0.15 0.00 0.00 54.97 54.95 2qki s GLU 912 Cb -0.23 -2.83 -0.04 0.00 -0.44 0.00 0.00 34.13 30.60 2qki s GLU 912 CO 0.61 0.66 0.05 0.20 0.95 0.00 0.00 175.26 177.72 2qki s GLY 913 N -1.57 1.95 0.00 -3.83 0.00 -1.26 -5.11 107.32 97.51 2qki s GLY 913 Ca 0.21 -0.75 0.25 0.00 0.00 0.00 0.00 44.72 44.43 2qki s GLY 913 CO 0.11 -0.42 1.86 4.51 0.00 0.00 0.00 173.10 179.17