#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kle h ILE 725 N 0.00 0.28 0.00 5.18 5.03 -2.05 -3.41 117.51 122.55 2kle h ILE 725 Ca 0.00 -0.49 -0.04 0.00 -0.12 0.00 0.00 64.86 64.20 2kle h ILE 725 Cb 0.00 0.41 -0.01 0.00 -3.03 0.00 0.00 36.82 34.19 2kle h ILE 725 CO 0.00 0.05 -1.03 -1.20 -0.68 0.00 0.00 178.15 175.29 2kle n SER 726 N -5.24 1.82 -1.28 1.72 7.64 -1.26 -5.10 113.62 111.91 2kle n SER 726 Ca -0.10 0.30 0.17 0.00 1.01 0.00 0.00 58.87 60.25 2kle n SER 726 Cb 0.31 -0.69 -0.05 0.00 -1.01 0.00 0.00 64.21 62.77 2kle n SER 726 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2kle n GLU 727 N -4.31 -2.66 0.00 1.43 1.02 -1.26 -4.76 120.64 110.10 2kle n GLU 727 Ca -0.16 1.85 0.00 0.00 -0.02 0.00 0.00 57.16 58.83 2kle n GLU 727 Cb 0.49 -3.22 0.00 0.00 -0.02 0.00 0.00 31.44 28.70 2kle n GLU 727 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2kle n SER 728 N -3.97 0.00 0.00 1.62 3.41 -1.26 -4.86 113.62 108.56 2kle n SER 728 Ca -0.01 0.91 0.00 0.00 -0.26 0.00 0.00 58.87 59.51 2kle n SER 728 Cb 0.59 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 2kle n SER 728 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2kle n LEU 729 N -1.85 0.00 0.01 1.04 7.94 -1.26 -4.86 117.00 118.02 2kle n LEU 729 Ca 0.00 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.78 2kle n LEU 729 Cb 0.00 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.86 2kle n LEU 729 CO 0.00 0.00 0.51 0.08 -1.11 0.00 0.00 177.39 176.87 2kle h ARG 730 N 0.00 -0.10 0.31 1.96 0.11 -1.96 -0.96 114.38 113.75 2kle h ARG 730 Ca 0.00 0.01 -0.02 0.00 0.10 0.00 0.00 59.98 60.07 2kle h ARG 730 Cb 0.00 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.11 2kle h ARG 730 CO 0.00 0.42 -0.15 0.37 0.10 0.00 0.00 179.97 180.71 2kle h GLN 731 N -0.70 -0.40 0.00 0.08 5.75 -1.87 -2.17 115.11 115.80 2kle h GLN 731 Ca -0.01 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 2kle h GLN 731 Cb 0.57 0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.21 2kle h GLN 731 CO 0.02 -0.21 0.00 0.41 -2.65 0.00 0.00 178.83 176.40 2kle n GLY 732 N -1.00 -1.17 2.58 2.39 0.00 -1.25 -3.06 105.19 103.68 2kle n GLY 732 Ca -0.10 0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 2kle n GLY 732 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kle n GLY 733 N -0.23 2.85 0.66 -0.02 0.00 -0.36 -4.77 105.19 103.32 2kle n GLY 733 Ca 0.02 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.33 2kle n GLY 733 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kle n GLY 734 N -0.12 -1.99 3.41 -0.02 0.00 -0.83 -4.76 105.19 100.88 2kle n GLY 734 Ca 0.18 0.63 -0.10 0.00 0.00 0.00 0.00 46.02 46.73 2kle n GLY 734 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kle s LYS 735 N -1.13 1.23 -0.11 1.61 0.00 -1.19 -4.11 119.74 116.04 2kle s LYS 735 Ca 0.00 -0.96 0.03 0.00 0.00 0.00 0.00 55.97 55.04 2kle s LYS 735 Cb 0.00 0.45 0.01 0.00 0.00 0.00 0.00 37.83 38.29 2kle s LYS 735 CO 0.00 -0.49 -0.20 -0.51 0.00 0.00 0.00 175.35 174.15 2kle s LEU 736 N -2.90 1.97 0.03 2.77 1.02 -0.28 -4.50 118.68 116.80 2kle s LEU 736 Ca 0.11 -0.51 0.01 0.00 0.02 0.00 0.00 54.13 53.76 2kle s LEU 736 Cb 0.01 -1.28 -0.02 0.00 0.02 0.00 0.00 46.19 44.92 2kle s LEU 736 CO -0.04 0.10 -0.06 0.20 0.02 0.00 0.00 176.35 176.57 2kle s ASN 737 N 0.62 0.63 0.11 2.29 0.02 -1.26 -0.19 114.94 117.16 2kle s ASN 737 Ca -0.13 -0.53 -0.31 0.00 -1.02 0.00 0.00 52.86 50.87 2kle s ASN 737 Cb -0.17 0.06 -0.12 0.00 0.02 0.00 0.00 41.25 41.05 2kle s ASN 737 CO 0.04 -0.24 1.50 0.15 0.02 0.00 0.00 177.10 178.57 2kle h PHE 738 N 4.57 -1.48 0.00 2.20 3.57 -1.22 1.85 116.94 126.44 2kle h PHE 738 Ca -0.34 0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.14 2kle h PHE 738 Cb 1.20 0.66 -0.01 0.00 2.79 0.00 0.00 35.95 40.60 2kle h PHE 738 CO 0.65 -0.49 -0.33 0.22 -2.23 0.00 0.00 178.31 176.12 2kle h ASP 739 N -0.52 0.00 0.29 0.41 3.58 -1.97 -2.69 116.42 115.51 2kle h ASP 739 Ca 0.03 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.15 2kle h ASP 739 Cb 0.61 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.61 2kle h ASP 739 CO -0.40 0.33 -1.96 1.21 -2.88 0.00 0.00 179.24 175.54 2kle n GLU 740 N -3.96 0.67 0.21 0.28 4.07 -1.00 -3.75 120.64 117.15 2kle n GLU 740 Ca -0.02 0.21 0.14 0.00 -0.06 0.00 0.00 57.16 57.44 2kle n GLU 740 Cb 0.39 -1.70 0.77 0.00 -0.06 0.00 0.00 31.44 30.84 2kle n GLU 740 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2kle h LEU 741 N 0.01 0.00 -1.45 4.31 5.85 0.31 0.33 115.31 124.67 2kle h LEU 741 Ca -0.39 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.38 2kle h LEU 741 Cb 2.06 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 43.06 2kle h LEU 741 CO 0.06 0.00 0.42 0.03 -0.34 0.00 0.00 178.44 178.61 2kle h ARG 742 N 0.00 0.67 -0.89 1.25 2.47 -1.57 0.18 114.38 116.49 2kle h ARG 742 Ca 0.07 -0.04 0.24 0.00 -1.26 0.00 0.00 59.98 58.98 2kle h ARG 742 Cb 0.32 -0.15 -0.05 0.00 -1.65 0.00 0.00 29.97 28.44 2kle h ARG 742 CO -0.00 0.44 0.62 0.37 0.56 0.00 0.00 179.97 181.96 2kle h GLN 743 N 0.69 0.15 0.01 0.04 4.15 -0.52 1.99 115.11 121.63 2kle h GLN 743 Ca 0.27 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.66 2kle h GLN 743 Cb 0.19 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.84 2kle h GLN 743 CO -0.08 0.10 -0.07 0.22 -1.93 0.00 0.00 178.83 177.07 2kle h ASP 744 N 0.16 0.03 -0.99 -0.69 3.58 -0.81 -3.39 116.42 114.31 2kle h ASP 744 Ca 0.44 -0.99 -0.59 0.00 0.42 0.00 0.00 57.03 56.31 2kle h ASP 744 Cb 1.49 -0.01 -0.40 0.00 1.72 0.00 0.00 39.33 42.13 2kle h ASP 744 CO -0.08 1.03 -0.44 0.00 -2.88 0.00 0.00 179.24 176.87 2kle n LEU 745 N -4.57 5.47 -4.53 2.28 -0.00 0.39 -4.91 117.00 111.12 2kle n LEU 745 Ca -0.10 -4.76 -0.41 0.00 -0.00 0.00 0.00 56.01 50.74 2kle n LEU 745 Cb 0.51 -0.50 -0.05 0.00 -0.00 0.00 0.00 43.42 43.37 2kle n LEU 745 CO 0.35 2.01 1.99 0.29 -0.00 0.00 0.00 177.39 182.03 2kle n LYS 746 N -0.70 1.06 -0.03 1.47 5.02 0.65 -4.15 118.16 121.48 2kle n LYS 746 Ca 0.47 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 2kle n LYS 746 Cb 0.83 -2.97 0.00 0.00 -0.02 0.00 0.00 35.03 32.87 2kle n LYS 746 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kle n GLY 747 N 6.13 -0.24 0.00 0.72 0.00 -1.26 -5.06 105.19 105.48 2kle n GLY 747 Ca 0.41 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2kle n GLY 747 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kle n LYS 748 N -0.00 0.00 -4.20 1.61 0.00 -1.26 -5.13 118.16 109.18 2kle n LYS 748 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.03 2kle n LYS 748 Cb 0.00 -0.19 -0.03 0.00 -0.00 0.00 0.00 35.03 34.81 2kle n LYS 748 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2kle s GLY 749 N -1.12 2.60 0.00 2.58 0.00 -1.26 -5.10 107.32 105.01 2kle s GLY 749 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.72 2kle s GLY 749 CO 0.00 -2.03 0.00 1.42 0.00 0.00 0.00 173.10 172.49 2kle n HIS 750 N -1.56 0.00 -3.98 1.90 8.25 -1.26 -4.98 115.22 113.60 2kle n HIS 750 Ca -0.08 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.10 2kle n HIS 750 Cb 0.65 -0.04 -0.04 0.00 1.12 0.00 0.00 29.99 31.68 2kle n HIS 750 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2kle s THR 751 N -0.14 5.08 0.38 1.59 -4.23 -1.26 -4.98 115.64 112.08 2kle s THR 751 Ca 0.00 -0.67 0.11 0.00 -1.18 0.00 0.00 61.69 59.95 2kle s THR 751 Cb 0.00 -3.54 0.33 0.00 1.34 0.00 0.00 72.50 70.63 2kle s THR 751 CO 0.00 0.02 1.91 0.44 -0.54 0.00 0.00 174.62 176.45 2kle h ASP 752 N 2.68 0.55 -0.65 3.99 3.32 -1.99 -1.88 116.42 122.44 2kle h ASP 752 Ca -0.47 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 2kle h ASP 752 Cb 1.18 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 2kle h ASP 752 CO 0.70 0.30 0.40 0.00 -1.72 0.00 0.00 179.24 178.92 2kle h ALA 753 N 1.62 0.83 -0.47 3.45 0.00 -1.98 0.43 119.26 123.15 2kle h ALA 753 Ca 0.38 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 2kle h ALA 753 Cb 0.66 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2kle h ALA 753 CO -0.15 0.30 0.16 0.93 0.00 0.00 0.00 179.25 180.49 2kle h GLU 754 N 0.89 0.72 0.04 0.00 5.08 -1.76 -2.30 114.58 117.26 2kle h GLU 754 Ca 0.24 -0.15 -0.27 0.00 -1.00 0.00 0.00 59.36 58.18 2kle h GLU 754 Cb -0.04 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.12 2kle h GLU 754 CO -0.05 0.68 -1.09 0.82 -1.00 0.00 0.00 179.01 178.37 2kle h ILE 755 N 0.62 1.32 -0.44 3.13 2.04 -1.06 -1.76 117.51 121.37 2kle h ILE 755 Ca 0.15 -2.40 -0.01 0.00 1.00 0.00 0.00 64.86 63.59 2kle h ILE 755 Cb 0.25 2.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.82 2kle h ILE 755 CO -0.01 0.73 0.22 -0.08 0.00 0.00 0.00 178.15 179.01 2kle h GLU 756 N 0.30 0.63 -0.04 2.37 4.81 -0.15 -1.84 114.58 120.66 2kle h GLU 756 Ca -0.14 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 2kle h GLU 756 Cb 1.75 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 31.02 2kle h GLU 756 CO 0.21 0.53 -0.04 0.00 -0.73 0.00 0.00 179.01 178.98 2kle h ALA 757 N 1.06 0.06 -0.64 2.92 0.00 -1.46 -3.28 119.26 117.93 2kle h ALA 757 Ca 0.15 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.85 2kle h ALA 757 Cb 0.11 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 2kle h ALA 757 CO -0.02 -0.15 0.33 0.97 0.00 0.00 0.00 179.25 180.38 2kle h ILE 758 N -0.37 0.93 -0.08 0.00 -0.00 -1.21 -1.13 117.51 115.64 2kle h ILE 758 Ca 0.01 -0.21 -0.08 0.00 -0.00 0.00 0.00 64.86 64.58 2kle h ILE 758 Cb 0.56 0.26 -0.01 0.00 -0.00 0.00 0.00 36.82 37.63 2kle h ILE 758 CO 0.01 0.11 -0.30 2.19 -0.00 0.00 0.00 178.15 180.16 2kle h PHE 759 N 0.61 0.16 -0.70 2.19 -5.15 -1.46 0.17 116.94 112.76 2kle h PHE 759 Ca 0.29 -0.03 0.01 0.00 -0.20 0.00 0.00 57.97 58.05 2kle h PHE 759 Cb 0.23 -0.04 -0.04 0.00 0.22 0.00 0.00 35.95 36.32 2kle h PHE 759 CO -0.10 0.44 0.46 1.15 -2.00 0.00 0.00 178.31 178.26 2kle h THR 760 N 0.13 1.17 0.06 0.88 2.02 -1.26 0.57 112.91 116.47 2kle h THR 760 Ca 0.02 -0.32 -0.36 0.00 0.77 0.00 0.00 66.41 66.52 2kle h THR 760 Cb 0.60 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 2kle h THR 760 CO 0.04 0.17 -2.08 1.17 0.37 0.00 0.00 175.52 175.19 2kle n LYS 761 N -4.43 0.68 0.01 6.66 4.81 -0.91 -4.51 118.16 120.47 2kle n LYS 761 Ca 0.08 0.28 0.07 0.00 -0.87 0.00 0.00 58.31 57.86 2kle n LYS 761 Cb 0.05 -1.64 -0.11 0.00 0.02 0.00 0.00 35.03 33.35 2kle n LYS 761 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2kle n TYR 762 N -3.66 0.39 -1.50 5.64 4.02 0.57 -4.98 117.16 117.65 2kle n TYR 762 Ca -0.38 0.12 -0.34 0.00 -0.01 0.00 0.00 57.90 57.29 2kle n TYR 762 Cb 0.96 -0.77 0.08 0.00 -0.02 0.00 0.00 39.34 39.59 2kle n TYR 762 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2kle s ASP 763 N -5.05 4.38 0.20 7.72 2.15 0.20 -4.93 116.67 121.35 2kle s ASP 763 Ca -0.06 2.27 -0.10 0.00 0.43 0.00 0.00 52.55 55.10 2kle s ASP 763 Cb 0.11 -2.58 0.24 0.00 -0.30 0.00 0.00 42.92 40.39 2kle s ASP 763 CO 0.85 -2.13 1.78 1.56 -0.17 0.00 0.00 175.17 177.06 2kle h GLN 764 N -0.24 0.53 0.00 4.34 1.08 -1.94 -3.13 115.11 115.75 2kle h GLN 764 Ca -0.47 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 56.69 2kle h GLN 764 Cb 1.28 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.59 2kle h GLN 764 CO 0.51 0.35 -0.61 -3.47 -0.95 0.00 0.00 178.83 174.66 2kle n ASP 765 N -4.88 0.63 -0.04 1.46 2.03 -1.26 -4.97 116.55 109.52 2kle n ASP 765 Ca 0.08 -0.75 -0.00 0.00 0.52 0.00 0.00 54.79 54.63 2kle n ASP 765 Cb 0.21 1.02 -0.00 0.00 -0.72 0.00 0.00 41.12 41.63 2kle n ASP 765 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kle n GLY 766 N 1.31 0.04 0.48 0.27 0.00 -1.18 -4.72 105.19 101.38 2kle n GLY 766 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 2kle n GLY 766 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kle n ASP 767 N -0.27 1.54 -3.25 1.61 8.00 -1.26 -4.48 116.55 118.44 2kle n ASP 767 Ca -0.00 0.25 -0.10 0.00 0.71 0.00 0.00 54.79 55.64 2kle n ASP 767 Cb 0.41 -0.56 0.01 0.00 -0.02 0.00 0.00 41.12 40.96 2kle n ASP 767 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2kle n GLN 768 N -4.02 -0.85 0.00 -1.24 7.27 -1.26 -4.80 117.38 112.47 2kle n GLN 768 Ca -0.12 1.04 0.00 0.00 0.07 0.00 0.00 57.00 57.98 2kle n GLN 768 Cb 0.38 -1.49 0.00 0.00 2.41 0.00 0.00 30.24 31.54 2kle n GLN 768 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 2kle n GLU 769 N 0.87 0.00 -3.87 3.69 -0.00 -0.88 -0.68 120.64 119.76 2kle n GLU 769 Ca -0.02 0.00 -0.36 0.00 -0.00 0.00 0.00 57.16 56.78 2kle n GLU 769 Cb 0.53 0.00 -0.11 0.00 -0.00 0.00 0.00 31.44 31.86 2kle n GLU 769 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2kle s LEU 770 N 0.00 3.69 0.67 -1.84 1.02 0.74 -4.79 118.68 118.17 2kle s LEU 770 Ca 0.00 -0.04 -0.07 0.00 0.02 0.00 0.00 54.13 54.03 2kle s LEU 770 Cb 0.00 -1.97 0.04 0.00 0.02 0.00 0.00 46.19 44.28 2kle s LEU 770 CO 0.00 0.07 1.00 0.42 0.02 0.00 0.00 176.35 177.85 2kle s THR 771 N 1.03 2.87 0.32 5.49 -4.23 -1.26 -2.38 115.64 117.48 2kle s THR 771 Ca 0.05 -0.06 0.03 0.00 -1.18 0.00 0.00 61.69 60.52 2kle s THR 771 Cb -0.14 -3.21 0.29 0.00 1.34 0.00 0.00 72.50 70.77 2kle s THR 771 CO 0.03 -0.24 1.92 -0.08 -0.54 0.00 0.00 174.62 175.72 2kle h GLU 772 N -0.50 0.89 -0.32 3.99 4.22 -1.94 0.87 114.58 121.80 2kle h GLU 772 Ca -0.45 -0.05 -0.08 0.00 0.08 0.00 0.00 59.36 58.85 2kle h GLU 772 Cb 1.29 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 2kle h GLU 772 CO 0.61 0.59 -0.15 0.45 -2.18 0.00 0.00 179.01 178.33 2kle h HIS 773 N 0.92 0.61 -0.04 0.92 3.86 -1.93 0.34 115.15 119.84 2kle h HIS 773 Ca 0.37 -0.11 -0.16 0.00 -1.16 0.00 0.00 60.37 59.32 2kle h HIS 773 Cb 0.26 -0.16 0.01 0.00 1.06 0.00 0.00 27.41 28.58 2kle h HIS 773 CO -0.00 0.69 -0.60 0.93 0.86 0.00 0.00 177.93 179.81 2kle h GLU 774 N 0.51 0.47 -0.08 2.45 5.08 -1.63 -3.21 114.58 118.16 2kle h GLU 774 Ca 0.09 -0.46 -0.03 0.00 -1.00 0.00 0.00 59.36 57.96 2kle h GLU 774 Cb 0.56 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2kle h GLU 774 CO 0.04 1.10 -0.11 1.25 -1.00 0.00 0.00 179.01 180.29 2kle h HIS 775 N 0.01 0.13 -0.90 4.33 2.76 -0.52 -2.00 115.15 118.95 2kle h HIS 775 Ca -0.06 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.09 2kle h HIS 775 Cb 1.28 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 30.16 2kle h HIS 775 CO 0.13 0.24 0.53 0.37 -1.30 0.00 0.00 177.93 177.90 2kle h GLN 776 N 0.12 1.23 0.18 5.26 -0.00 -0.34 -3.23 115.11 118.33 2kle h GLN 776 Ca 0.03 -0.12 -0.35 0.00 -0.00 0.00 0.00 58.65 58.21 2kle h GLN 776 Cb 0.27 -0.26 0.01 0.00 0.00 0.00 0.00 27.48 27.50 2kle h GLN 776 CO 0.02 0.87 -1.77 1.96 0.00 0.00 0.00 178.83 179.91 2kle h GLN 777 N 1.25 0.38 0.00 1.69 4.20 -1.42 -3.45 115.11 117.76 2kle h GLN 777 Ca 0.32 -0.64 0.00 0.00 0.06 0.00 0.00 58.65 58.39 2kle h GLN 777 Cb -0.03 0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2kle h GLN 777 CO -0.06 1.30 0.00 -1.33 -0.67 0.00 0.00 178.83 178.07 2kle n MET 778 N -3.57 0.00 -2.18 1.46 2.81 -0.94 -4.97 117.12 109.73 2kle n MET 778 Ca -0.25 0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.36 2kle n MET 778 Cb 1.07 -0.22 0.04 0.00 -0.71 0.00 0.00 33.22 33.40 2kle n MET 778 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2kle s ARG 779 N 0.00 2.83 -0.42 0.03 0.52 -1.25 -5.05 118.95 115.61 2kle s ARG 779 Ca 0.00 0.16 0.02 0.00 -0.52 0.00 0.00 55.73 55.38 2kle s ARG 779 Cb 0.00 -2.16 0.14 0.00 0.52 0.00 0.00 34.95 33.45 2kle s ARG 779 CO 0.00 -0.88 0.26 -0.51 0.02 0.00 0.00 175.30 174.19 2kle s ASP 780 N -4.35 3.14 -0.08 0.23 1.01 -1.26 -4.79 116.67 110.57 2kle s ASP 780 Ca 0.56 -2.61 -0.22 0.00 0.71 0.00 0.00 52.55 50.99 2kle s ASP 780 Cb -0.11 -0.76 -0.29 0.00 1.01 0.00 0.00 42.92 42.78 2kle s ASP 780 CO 0.48 -0.26 0.78 -0.78 0.21 0.00 0.00 175.17 175.60 2kle h ASP 781 N 6.59 0.35 1.61 0.27 3.58 -1.96 -3.34 116.42 123.52 2kle h ASP 781 Ca 0.07 -0.92 0.00 0.00 0.42 0.00 0.00 57.03 56.59 2kle h ASP 781 Cb 0.93 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.87 2kle h ASP 781 CO 0.40 1.37 0.00 0.25 -2.88 0.00 0.00 179.24 178.38 2kle h LEU 782 N -0.50 0.00 -1.75 2.28 5.85 -1.94 -2.97 115.31 116.29 2kle h LEU 782 Ca -0.16 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.64 2kle h LEU 782 Cb 1.54 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.54 2kle h LEU 782 CO 0.09 0.00 0.32 -0.08 -0.34 0.00 0.00 178.44 178.43 2kle h GLU 783 N 0.00 0.29 -2.13 1.25 4.81 -1.97 -3.31 114.58 113.52 2kle h GLU 783 Ca 0.00 -0.02 -0.57 0.00 -0.13 0.00 0.00 59.36 58.64 2kle h GLU 783 Cb 0.81 -0.07 -0.39 0.00 0.63 0.00 0.00 28.75 29.73 2kle h GLU 783 CO 0.00 0.19 -1.06 1.63 -0.73 0.00 0.00 179.01 179.04 2kle n LYS 784 N -4.47 0.53 -3.64 1.92 5.02 -1.12 -5.04 118.16 111.36 2kle n LYS 784 Ca 0.07 -3.21 -0.04 0.00 -2.02 0.00 0.00 58.31 53.11 2kle n LYS 784 Cb 0.32 -1.38 -0.07 0.00 -0.02 0.00 0.00 35.03 33.88 2kle n LYS 784 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2kle s GLU 785 N -0.74 0.33 -0.14 1.97 2.12 -1.24 -4.95 118.70 116.04 2kle s GLU 785 Ca 0.34 0.48 -0.02 0.00 0.36 0.00 0.00 54.97 56.13 2kle s GLU 785 Cb 0.12 0.12 -0.02 0.00 0.26 0.00 0.00 34.13 34.60 2kle s GLU 785 CO -0.14 -0.05 -0.06 0.50 -0.54 0.00 0.00 175.26 174.96 2kle s ARG 786 N 0.73 3.53 0.42 4.30 3.52 -1.26 -4.91 118.95 125.28 2kle s ARG 786 Ca -0.02 -0.56 -0.23 0.00 -0.13 0.00 0.00 55.73 54.78 2kle s ARG 786 Cb -0.04 -2.82 -0.09 0.00 -1.56 0.00 0.00 34.95 30.45 2kle s ARG 786 CO -0.12 0.27 1.07 -1.21 -0.81 0.00 0.00 175.30 174.51 2kle s GLU 787 N 0.26 4.03 0.82 5.12 8.01 -1.26 -5.04 118.70 130.64 2kle s GLU 787 Ca -0.05 1.54 -0.11 0.00 0.01 0.00 0.00 54.97 56.36 2kle s GLU 787 Cb -0.14 -2.45 0.08 0.00 -4.31 0.00 0.00 34.13 27.31 2kle s GLU 787 CO 0.04 -0.26 1.09 0.34 0.01 0.00 0.00 175.26 176.47 2kle s ASP 788 N -1.58 4.19 -0.98 -0.19 2.15 -1.26 -4.94 116.67 114.05 2kle s ASP 788 Ca 0.60 1.61 -0.17 0.00 0.43 0.00 0.00 52.55 55.02 2kle s ASP 788 Cb -0.22 -2.32 0.14 0.00 -0.30 0.00 0.00 42.92 40.22 2kle s ASP 788 CO 0.28 -2.20 1.18 -0.22 -0.17 0.00 0.00 175.17 174.03 2kle s LEU 789 N -5.98 5.12 0.00 -1.34 2.96 -1.26 -4.97 118.68 113.21 2kle s LEU 789 Ca 0.62 -2.27 0.06 0.00 -0.22 0.00 0.00 54.13 52.31 2kle s LEU 789 Cb -0.17 -2.39 0.06 0.00 0.50 0.00 0.00 46.19 44.19 2kle s LEU 789 CO 0.56 -0.98 0.49 -0.67 -1.32 0.00 0.00 176.35 174.43 2kle n ASP 790 N 6.25 2.17 -0.02 3.68 -0.08 -1.26 -5.10 116.55 122.20 2kle n ASP 790 Ca 0.26 -2.46 -0.03 0.00 -1.51 0.00 0.00 54.79 51.05 2kle n ASP 790 Cb 0.48 -0.17 -0.01 0.00 2.34 0.00 0.00 41.12 43.75 2kle n ASP 790 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2kle n LEU 791 N 0.00 1.10 0.00 -2.67 0.00 -1.26 -5.05 117.00 109.12 2kle n LEU 791 Ca 0.05 0.17 0.00 0.00 0.00 0.00 0.00 56.01 56.23 2kle n LEU 791 Cb 0.52 -0.47 0.00 0.00 0.00 0.00 0.00 43.42 43.47 2kle n LEU 791 CO 0.32 -0.50 0.00 -0.67 0.00 0.00 0.00 177.39 176.54 2kle n ASP 792 N -3.57 0.00 -4.12 1.96 2.03 -1.26 -5.13 116.55 106.46 2kle n ASP 792 Ca -0.05 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.16 2kle n ASP 792 Cb 0.20 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.50 2kle n ASP 792 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2kle s HIS 793 N -0.32 0.81 0.00 -0.67 2.46 -1.26 -5.08 115.29 111.22 2kle s HIS 793 Ca 0.00 -1.17 0.00 0.00 0.47 0.00 0.00 55.06 54.36 2kle s HIS 793 Cb 0.00 -0.42 0.00 0.00 -0.13 0.00 0.00 32.58 32.03 2kle s HIS 793 CO 0.00 -0.56 0.62 -1.13 -2.47 0.00 0.00 174.74 171.20 2kle n SER 794 N -0.12 -0.61 -4.50 9.88 3.41 -1.26 -5.07 113.62 115.35 2kle n SER 794 Ca -0.05 -1.24 -0.43 0.00 -0.26 0.00 0.00 58.87 56.89 2kle n SER 794 Cb 0.64 0.18 -0.05 0.00 -0.26 0.00 0.00 64.21 64.72 2kle n SER 794 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2kle s SER 795 N -0.61 6.31 0.00 4.04 0.15 -1.26 -5.20 113.70 117.13 2kle s SER 795 Ca 0.00 -0.49 0.19 0.00 0.70 0.00 0.00 55.95 56.35 2kle s SER 795 Cb 0.00 -2.40 0.15 0.00 -1.71 0.00 0.00 66.02 62.06 2kle s SER 795 CO 0.00 -1.14 1.11 -0.11 1.20 0.00 0.00 173.24 174.30