#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 1.27 -3.23 0.53 2.04 -2.06 -3.44 117.51 112.64 2kle h ILE 725 Ca 0.00 -1.34 -0.58 0.00 1.00 0.00 0.00 64.86 63.94 2kle h ILE 725 Cb 0.00 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 2kle h ILE 725 CO 0.00 0.42 -0.07 -0.44 0.00 0.00 0.00 178.15 178.06 2kle s SER 726 N -6.82 6.95 -0.88 1.72 0.01 -1.26 -5.01 113.70 108.40 2kle s SER 726 Ca -0.07 1.13 -0.15 0.00 1.31 0.00 0.00 55.95 58.18 2kle s SER 726 Cb 0.13 -2.33 0.21 0.00 0.21 0.00 0.00 66.02 64.24 2kle s SER 726 CO 0.79 0.20 0.89 -1.83 0.41 0.00 0.00 173.24 173.70 2kle s GLU 727 N -0.63 3.67 0.02 12.44 4.04 -1.26 -4.78 118.70 132.20 2kle s GLU 727 Ca 0.28 -2.40 -0.14 0.00 0.04 0.00 0.00 54.97 52.75 2kle s GLU 727 Cb -0.18 -4.55 -0.08 0.00 0.02 0.00 0.00 34.13 29.34 2kle s GLU 727 CO 0.16 -1.39 1.22 0.77 -1.84 0.00 0.00 175.26 174.18 2kle h SER 728 N 7.87 -0.44 0.00 0.83 0.02 -1.94 -3.49 113.55 116.40 2kle h SER 728 Ca 0.13 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2kle h SER 728 Cb 1.02 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2kle h SER 728 CO 0.86 -0.31 0.00 -0.11 -1.14 0.00 0.00 176.83 176.12 2kle n LEU 729 N -3.40 0.00 -0.06 5.07 7.94 -1.26 -4.87 117.00 120.42 2kle n LEU 729 Ca -0.06 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.69 2kle n LEU 729 Cb 0.20 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.09 2kle n LEU 729 CO 0.15 0.00 0.43 0.08 -1.11 0.00 0.00 177.39 176.94 2kle h ARG 730 N 0.00 0.72 0.00 1.96 0.11 -1.97 -1.89 114.38 113.31 2kle h ARG 730 Ca 0.00 -0.48 -0.00 0.00 0.10 0.00 0.00 59.98 59.60 2kle h ARG 730 Cb 0.00 0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.15 2kle h ARG 730 CO 0.00 1.11 -0.00 0.37 0.10 0.00 0.00 179.97 181.55 2kle h GLN 731 N 0.44 -0.00 0.00 0.08 5.75 -1.87 -3.25 115.11 116.26 2kle h GLN 731 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2kle h GLN 731 Cb 1.11 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.66 2kle h GLN 731 CO 0.11 0.80 0.00 0.41 -2.65 0.00 0.00 178.83 177.50 2kle n GLY 732 N 1.07 -0.86 2.35 2.39 0.00 -1.24 -3.04 105.19 105.86 2kle n GLY 732 Ca -0.09 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 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 0.40 3.18 0.00 -0.02 0.00 -0.71 -4.50 105.19 103.54 2kle n GLY 733 Ca 0.12 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 0.16 -1.56 3.23 -0.02 0.00 -1.17 -4.78 105.19 101.04 2kle n GLY 734 Ca 0.21 0.56 -0.09 0.00 0.00 0.00 0.00 46.02 46.71 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 0.00 0.92 -0.09 1.61 0.00 -1.21 -4.36 119.74 116.61 2kle s LYS 735 Ca 0.00 -1.08 0.03 0.00 0.00 0.00 0.00 55.97 54.91 2kle s LYS 735 Cb 0.00 0.33 0.01 0.00 0.00 0.00 0.00 37.83 38.17 2kle s LYS 735 CO 0.00 -0.30 -0.17 -0.51 0.00 0.00 0.00 175.35 174.37 2kle s LEU 736 N -2.91 1.82 0.03 2.77 1.02 -0.41 -4.59 118.68 116.41 2kle s LEU 736 Ca 0.10 -0.43 0.02 0.00 0.02 0.00 0.00 54.13 53.85 2kle s LEU 736 Cb 0.05 -1.11 -0.02 0.00 0.02 0.00 0.00 46.19 45.13 2kle s LEU 736 CO -0.07 0.07 -0.08 0.20 0.02 0.00 0.00 176.35 176.49 2kle s ASN 737 N 0.68 0.84 0.07 2.29 0.02 -1.26 -0.25 114.94 117.33 2kle s ASN 737 Ca -0.13 -0.46 -0.15 0.00 -1.02 0.00 0.00 52.86 51.11 2kle s ASN 737 Cb -0.16 0.01 -0.04 0.00 0.02 0.00 0.00 41.25 41.08 2kle s ASN 737 CO 0.03 -0.14 1.25 0.15 0.02 0.00 0.00 177.10 178.41 2kle h PHE 738 N 4.80 -0.82 0.00 2.20 3.57 -0.97 2.01 116.94 127.73 2kle h PHE 738 Ca -0.34 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.14 2kle h PHE 738 Cb 1.20 0.40 -0.01 0.00 2.79 0.00 0.00 35.95 40.33 2kle h PHE 738 CO 0.60 -0.20 -0.30 -0.44 -2.23 0.00 0.00 178.31 175.74 2kle h ASP 739 N -0.10 0.00 0.38 0.41 3.32 -1.98 -2.70 116.42 115.75 2kle h ASP 739 Ca 0.05 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.78 2kle h ASP 739 Cb 0.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2kle h ASP 739 CO -0.34 0.30 -1.66 -0.08 -1.72 0.00 0.00 179.24 175.73 2kle h GLU 740 N 0.00 0.22 -0.23 3.56 4.57 -1.83 -3.31 114.58 117.57 2kle h GLU 740 Ca -0.00 -0.38 0.07 0.00 -1.18 0.00 0.00 59.36 57.86 2kle h GLU 740 Cb 0.66 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.38 2kle h GLU 740 CO 0.04 1.06 0.18 1.25 -1.18 0.00 0.00 179.01 180.36 2kle h LEU 741 N 0.06 0.00 -1.42 1.64 5.85 0.34 0.38 115.31 122.16 2kle h LEU 741 Ca -0.29 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.49 2kle h LEU 741 Cb 2.02 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 43.01 2kle h LEU 741 CO 0.14 0.00 0.45 0.03 -0.34 0.00 0.00 178.44 178.72 2kle h ARG 742 N 0.00 0.69 -0.82 1.25 2.47 -1.57 0.19 114.38 116.60 2kle h ARG 742 Ca 0.11 -0.04 0.22 0.00 -1.26 0.00 0.00 59.98 59.01 2kle h ARG 742 Cb 0.47 -0.16 -0.04 0.00 -1.65 0.00 0.00 29.97 28.60 2kle h ARG 742 CO -0.00 0.46 0.57 0.37 0.56 0.00 0.00 179.97 181.93 2kle h GLN 743 N 0.72 0.11 0.01 0.04 4.15 -0.41 2.00 115.11 121.72 2kle h GLN 743 Ca 0.29 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.70 2kle h GLN 743 Cb 0.23 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.90 2kle h GLN 743 CO -0.09 0.08 -0.00 0.22 -1.93 0.00 0.00 178.83 177.10 2kle h ASP 744 N 0.12 -0.01 -1.16 -0.69 3.58 -0.80 -3.39 116.42 114.08 2kle h ASP 744 Ca 0.40 -0.80 -0.60 0.00 0.42 0.00 0.00 57.03 56.45 2kle h ASP 744 Cb 1.40 0.00 -0.39 0.00 1.72 0.00 0.00 39.33 42.06 2kle h ASP 744 CO -0.05 0.88 -0.38 0.00 -2.88 0.00 0.00 179.24 176.80 2kle n LEU 745 N -4.66 5.48 -4.67 2.28 -0.00 0.16 -5.05 117.00 110.54 2kle n LEU 745 Ca -0.08 -4.85 -0.46 0.00 -0.00 0.00 0.00 56.01 50.62 2kle n LEU 745 Cb 0.39 -0.53 -0.04 0.00 -0.00 0.00 0.00 43.42 43.23 2kle n LEU 745 CO 0.28 2.03 1.55 0.29 -0.00 0.00 0.00 177.39 181.54 2kle n LYS 746 N -0.65 2.44 -0.64 1.47 5.02 0.66 -4.28 118.16 122.17 2kle n LYS 746 Ca 0.46 0.89 0.00 0.00 -2.02 0.00 0.00 58.31 57.64 2kle n LYS 746 Cb 0.76 -2.80 0.00 0.00 -0.02 0.00 0.00 35.03 32.97 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 4.51 -1.22 0.00 0.72 0.00 -1.26 -5.06 105.19 102.88 2kle n GLY 747 Ca 0.22 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 0.95 0.00 -4.19 1.61 0.00 -1.26 -5.16 118.16 110.11 2kle n LYS 748 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 2kle n LYS 748 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 34.93 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 -0.15 1.37 0.00 2.58 0.00 -1.26 -5.10 107.32 104.76 2kle s GLY 749 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.07 2kle s GLY 749 CO 0.00 -1.36 0.00 1.42 0.00 0.00 0.00 173.10 173.16 2kle n HIS 750 N -0.27 0.00 -4.01 1.90 8.25 -1.26 -4.95 115.22 114.89 2kle n HIS 750 Ca 0.01 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.16 2kle n HIS 750 Cb 0.66 -0.07 -0.06 0.00 1.12 0.00 0.00 29.99 31.64 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 -0.16 4.95 0.39 1.59 -4.23 -1.26 -4.99 115.64 111.94 2kle s THR 751 Ca 0.00 -0.47 0.14 0.00 -1.18 0.00 0.00 61.69 60.19 2kle s THR 751 Cb 0.00 -3.35 0.36 0.00 1.34 0.00 0.00 72.50 70.85 2kle s THR 751 CO 0.00 0.23 1.85 0.44 -0.54 0.00 0.00 174.62 176.60 2kle h ASP 752 N 3.56 0.50 -0.59 3.99 5.19 -1.99 -1.13 116.42 125.94 2kle h ASP 752 Ca -0.47 0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 55.95 2kle h ASP 752 Cb 1.17 -0.05 -0.03 0.00 0.18 0.00 0.00 39.33 40.61 2kle h ASP 752 CO 0.68 0.21 0.23 0.00 -3.12 0.00 0.00 179.24 177.24 2kle h ALA 753 N 1.61 0.77 -0.42 3.45 0.00 -1.98 0.27 119.26 122.96 2kle h ALA 753 Ca 0.47 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 2kle h ALA 753 Cb 1.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2kle h ALA 753 CO -0.20 0.39 0.15 0.93 0.00 0.00 0.00 179.25 180.52 2kle h GLU 754 N 0.82 0.64 0.06 0.00 5.08 -1.62 -2.18 114.58 117.38 2kle h GLU 754 Ca 0.20 -0.13 -0.26 0.00 -1.00 0.00 0.00 59.36 58.17 2kle h GLU 754 Cb 0.21 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.37 2kle h GLU 754 CO -0.02 0.61 -1.10 0.82 -1.00 0.00 0.00 179.01 178.33 2kle h ILE 755 N 0.54 1.37 -0.43 3.13 2.04 -1.26 -1.71 117.51 121.18 2kle h ILE 755 Ca 0.14 -2.53 -0.02 0.00 1.00 0.00 0.00 64.86 63.45 2kle h ILE 755 Cb 0.22 2.58 -0.02 0.00 -0.74 0.00 0.00 36.82 38.87 2kle h ILE 755 CO -0.01 0.76 0.17 -0.08 0.00 0.00 0.00 178.15 178.99 2kle h GLU 756 N 0.24 0.65 -0.03 2.37 4.81 -0.43 -2.13 114.58 120.05 2kle h GLU 756 Ca -0.13 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 58.97 2kle h GLU 756 Cb 1.76 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 31.04 2kle h GLU 756 CO 0.20 0.59 -0.04 0.00 -0.73 0.00 0.00 179.01 179.04 2kle h ALA 757 N 1.02 0.05 -0.65 2.92 0.00 -1.43 -3.28 119.26 117.88 2kle h ALA 757 Ca 0.14 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.86 2kle h ALA 757 Cb 0.19 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 2kle h ALA 757 CO -0.01 -0.17 0.34 0.97 0.00 0.00 0.00 179.25 180.37 2kle h ILE 758 N -0.39 0.91 -0.12 0.00 -0.00 -1.22 -0.39 117.51 116.30 2kle h ILE 758 Ca 0.00 -0.21 -0.07 0.00 -0.00 0.00 0.00 64.86 64.58 2kle h ILE 758 Cb 0.54 0.25 -0.01 0.00 -0.00 0.00 0.00 36.82 37.60 2kle h ILE 758 CO 0.01 0.11 -0.26 2.19 -0.00 0.00 0.00 178.15 180.20 2kle h PHE 759 N 0.61 0.24 -0.63 2.19 -5.15 -1.52 0.17 116.94 112.84 2kle h PHE 759 Ca 0.31 -0.04 0.02 0.00 -0.20 0.00 0.00 57.97 58.05 2kle h PHE 759 Cb 0.26 -0.06 -0.03 0.00 0.22 0.00 0.00 35.95 36.33 2kle h PHE 759 CO -0.10 0.46 0.42 1.15 -2.00 0.00 0.00 178.31 178.24 2kle h THR 760 N 0.20 1.13 0.04 0.88 2.02 -1.12 0.59 112.91 116.64 2kle h THR 760 Ca 0.03 -0.28 -0.36 0.00 0.77 0.00 0.00 66.41 66.57 2kle h THR 760 Cb 0.57 0.25 -0.05 0.00 -1.74 0.00 0.00 68.15 67.18 2kle h THR 760 CO 0.04 0.15 -2.06 1.17 0.37 0.00 0.00 175.52 175.19 2kle n LYS 761 N -4.45 0.65 0.05 6.66 4.81 -1.01 -4.45 118.16 120.41 2kle n LYS 761 Ca 0.07 0.31 0.09 0.00 -0.87 0.00 0.00 58.31 57.91 2kle n LYS 761 Cb 0.08 -1.63 -0.08 0.00 0.02 0.00 0.00 35.03 33.43 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 -3.82 0.61 -1.31 5.64 4.01 0.55 -4.92 117.16 117.91 2kle n TYR 762 Ca -0.40 0.18 -0.33 0.00 -0.16 0.00 0.00 57.90 57.19 2kle n TYR 762 Cb 0.91 -0.83 0.10 0.00 -0.31 0.00 0.00 39.34 39.21 2kle n TYR 762 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2kle s ASP 763 N -5.15 4.06 0.20 7.72 2.15 0.20 -4.93 116.67 120.92 2kle s ASP 763 Ca -0.04 2.25 -0.11 0.00 0.43 0.00 0.00 52.55 55.08 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 0.84 -2.35 1.73 1.56 -0.17 0.00 0.00 175.17 176.77 2kle h GLN 764 N -0.63 0.30 0.00 4.34 7.50 -1.93 -3.15 115.11 121.55 2kle h GLN 764 Ca -0.46 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 58.67 2kle h GLN 764 Cb 1.28 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 28.74 2kle h GLN 764 CO 0.49 0.20 -0.68 -0.25 -1.50 0.00 0.00 178.83 177.08 2kle n ASP 765 N -5.06 0.80 -0.65 1.46 8.00 -1.26 -4.96 116.55 114.87 2kle n ASP 765 Ca 0.07 -0.65 -0.08 0.00 0.71 0.00 0.00 54.79 54.83 2kle n ASP 765 Cb 0.27 1.08 -0.04 0.00 -0.02 0.00 0.00 41.12 42.41 2kle n ASP 765 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kle n GLY 766 N 1.35 0.80 0.08 0.44 0.00 -1.19 -4.82 105.19 101.85 2kle n GLY 766 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.08 0.23 -3.42 1.61 9.92 -1.26 -4.55 116.55 118.00 2kle n ASP 767 Ca -0.08 0.04 -0.32 0.00 -0.53 0.00 0.00 54.79 53.90 2kle n ASP 767 Cb 0.56 -0.50 0.03 0.00 -0.64 0.00 0.00 41.12 40.58 2kle n ASP 767 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 2kle n GLN 768 N -2.73 -1.75 0.00 -1.24 7.27 -1.26 -4.80 117.38 112.87 2kle n GLN 768 Ca -0.02 1.39 0.00 0.00 0.07 0.00 0.00 57.00 58.45 2kle n GLN 768 Cb 0.06 -2.15 0.00 0.00 2.41 0.00 0.00 30.24 30.56 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 0.02 0.00 -4.91 3.69 0.28 -0.87 -0.30 120.64 118.56 2kle n GLU 769 Ca -0.06 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.61 2kle n GLU 769 Cb 0.64 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 33.35 2kle n GLU 769 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2kle s LEU 770 N 0.00 2.41 0.74 -1.84 1.02 0.65 -4.81 118.68 116.84 2kle s LEU 770 Ca 0.00 -0.45 -0.08 0.00 0.02 0.00 0.00 54.13 53.62 2kle s LEU 770 Cb 0.00 -1.52 0.07 0.00 0.02 0.00 0.00 46.19 44.76 2kle s LEU 770 CO 0.00 0.15 1.06 0.42 0.02 0.00 0.00 176.35 178.00 2kle s THR 771 N 0.44 2.20 0.36 5.49 -4.23 -1.26 -2.30 115.64 116.33 2kle s THR 771 Ca -0.13 -0.20 0.05 0.00 -1.18 0.00 0.00 61.69 60.23 2kle s THR 771 Cb -0.17 -2.99 0.29 0.00 1.34 0.00 0.00 72.50 70.97 2kle s THR 771 CO 0.06 0.00 1.95 -0.08 -0.54 0.00 0.00 174.62 176.01 2kle h GLU 772 N -0.73 0.76 -0.22 3.99 4.22 -1.93 0.77 114.58 121.44 2kle h GLU 772 Ca -0.45 -0.05 -0.12 0.00 0.08 0.00 0.00 59.36 58.83 2kle h GLU 772 Cb 1.32 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2kle h GLU 772 CO 0.61 0.50 -0.37 0.45 -2.18 0.00 0.00 179.01 178.02 2kle h HIS 773 N 0.78 0.57 0.11 0.92 -0.00 -1.94 0.47 115.15 116.07 2kle h HIS 773 Ca 0.32 -0.15 -0.27 0.00 -0.00 0.00 0.00 60.37 60.27 2kle h HIS 773 Cb 0.25 -0.13 0.01 0.00 -0.00 0.00 0.00 27.41 27.55 2kle h HIS 773 CO -0.00 0.79 -1.20 0.93 -0.00 0.00 0.00 177.93 178.45 2kle h GLU 774 N 0.41 0.36 -0.02 2.45 5.08 -1.70 -3.21 114.58 117.95 2kle h GLU 774 Ca 0.04 -0.54 -0.03 0.00 -1.00 0.00 0.00 59.36 57.83 2kle h GLU 774 Cb 0.83 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 2kle h GLU 774 CO 0.07 1.23 -0.14 1.25 -1.00 0.00 0.00 179.01 180.42 2kle h HIS 775 N 0.14 0.03 -0.84 4.33 2.76 -0.59 -1.73 115.15 119.25 2kle h HIS 775 Ca -0.14 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.11 2kle h HIS 775 Cb 1.90 -0.01 -0.06 0.00 1.55 0.00 0.00 27.41 30.79 2kle h HIS 775 CO 0.07 0.18 0.55 0.37 -1.30 0.00 0.00 177.93 177.80 2kle h GLN 776 N 0.03 0.83 0.10 5.26 4.15 -0.91 -2.87 115.11 121.70 2kle h GLN 776 Ca 0.01 -0.05 -0.29 0.00 0.77 0.00 0.00 58.65 59.08 2kle h GLN 776 Cb 0.27 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 2kle h GLN 776 CO 0.02 0.55 -1.55 1.96 -1.93 0.00 0.00 178.83 177.88 2kle h GLN 777 N 0.86 0.21 -4.22 1.69 4.20 -1.51 -3.45 115.11 112.88 2kle h GLN 777 Ca 0.38 -0.36 -0.74 0.00 0.06 0.00 0.00 58.65 57.98 2kle h GLN 777 Cb 0.34 0.14 -0.25 0.00 0.30 0.00 0.00 27.48 28.01 2kle h GLN 777 CO -0.15 1.17 -0.30 -1.64 -0.67 0.00 0.00 178.83 177.25 2kle s MET 778 N -2.48 2.89 0.00 1.46 -1.94 -0.72 -4.92 119.30 113.58 2kle s MET 778 Ca -0.22 -1.58 0.00 0.00 -1.71 0.00 0.00 55.69 52.18 2kle s MET 778 Cb 0.05 -4.15 0.00 0.00 2.01 0.00 0.00 34.83 32.74 2kle s MET 778 CO 0.74 -1.18 0.00 0.54 -0.01 0.00 0.00 175.02 175.11 2kle n ARG 779 N 5.16 0.00 -3.45 2.03 1.74 -1.26 -4.59 116.66 116.29 2kle n ARG 779 Ca -0.12 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.69 2kle n ARG 779 Cb 0.42 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.74 2kle n ARG 779 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2kle s ASP 780 N -0.52 2.72 -0.13 0.55 1.01 -1.26 -4.84 116.67 114.20 2kle s ASP 780 Ca 0.00 -1.98 -0.22 0.00 0.71 0.00 0.00 52.55 51.06 2kle s ASP 780 Cb 0.00 -0.23 -0.20 0.00 1.01 0.00 0.00 42.92 43.50 2kle s ASP 780 CO 0.00 -0.32 0.58 -0.78 0.21 0.00 0.00 175.17 174.86 2kle h ASP 781 N 7.18 0.00 1.12 0.27 3.58 -1.95 -3.35 116.42 123.27 2kle h ASP 781 Ca 0.03 -0.76 -0.03 0.00 0.42 0.00 0.00 57.03 56.69 2kle h ASP 781 Cb 0.99 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.04 2kle h ASP 781 CO 0.27 0.91 -0.12 0.25 -2.88 0.00 0.00 179.24 177.67 2kle h LEU 782 N -1.00 0.00 -1.79 2.28 5.85 -1.95 -1.59 115.31 117.12 2kle h LEU 782 Ca -0.01 0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.86 2kle h LEU 782 Cb 0.79 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 2kle h LEU 782 CO -0.01 0.12 0.44 -0.08 -0.34 0.00 0.00 178.44 178.57 2kle h GLU 783 N 0.00 0.21 -1.15 1.25 4.81 -1.97 -3.25 114.58 114.47 2kle h GLU 783 Ca -0.00 -0.01 -0.39 0.00 -0.13 0.00 0.00 59.36 58.82 2kle h GLU 783 Cb 0.71 -0.05 -0.40 0.00 0.63 0.00 0.00 28.75 29.64 2kle h GLU 783 CO 0.02 0.14 -1.15 1.17 -0.73 0.00 0.00 179.01 178.45 2kle n LYS 784 N -4.43 1.36 -3.77 1.92 4.81 -0.61 -5.03 118.16 112.41 2kle n LYS 784 Ca 0.12 -3.39 -0.13 0.00 -0.87 0.00 0.00 58.31 54.03 2kle n LYS 784 Cb 0.55 -1.39 -0.11 0.00 0.02 0.00 0.00 35.03 34.11 2kle n LYS 784 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2kle s GLU 785 N -3.10 0.37 -0.07 1.64 2.12 -1.15 -5.02 118.70 113.49 2kle s GLU 785 Ca 0.30 0.35 0.01 0.00 0.36 0.00 0.00 54.97 55.99 2kle s GLU 785 Cb 0.44 0.18 -0.03 0.00 0.26 0.00 0.00 34.13 34.98 2kle s GLU 785 CO 0.01 -0.05 -0.08 0.50 -0.54 0.00 0.00 175.26 175.09 2kle s ARG 786 N 0.02 2.81 0.70 4.30 3.52 -1.26 -4.89 118.95 124.15 2kle s ARG 786 Ca -0.01 -0.58 -0.16 0.00 -0.13 0.00 0.00 55.73 54.85 2kle s ARG 786 Cb -0.02 -2.58 0.02 0.00 -1.56 0.00 0.00 34.95 30.80 2kle s ARG 786 CO 0.01 0.60 1.21 -1.21 -0.81 0.00 0.00 175.30 175.10 2kle s GLU 787 N -0.65 2.35 0.75 5.12 0.41 -1.26 -5.00 118.70 120.42 2kle s GLU 787 Ca 0.10 1.77 -0.11 0.00 -0.41 0.00 0.00 54.97 56.32 2kle s GLU 787 Cb -0.11 -1.86 0.04 0.00 -1.78 0.00 0.00 34.13 30.42 2kle s GLU 787 CO 0.02 -1.68 1.08 0.34 -0.49 0.00 0.00 175.26 174.53 2kle s ASP 788 N -1.94 4.85 -0.81 -0.19 2.15 -1.26 -4.98 116.67 114.49 2kle s ASP 788 Ca 0.75 1.53 -0.13 0.00 0.43 0.00 0.00 52.55 55.14 2kle s ASP 788 Cb -0.30 -2.33 0.21 0.00 -0.30 0.00 0.00 42.92 40.21 2kle s ASP 788 CO 0.43 -1.77 0.73 -0.22 -0.17 0.00 0.00 175.17 174.16 2kle s LEU 789 N -5.72 6.58 0.00 -1.34 2.96 -1.26 -5.01 118.68 114.90 2kle s LEU 789 Ca 0.60 -2.72 0.06 0.00 -0.22 0.00 0.00 54.13 51.84 2kle s LEU 789 Cb -0.15 -2.17 0.06 0.00 0.50 0.00 0.00 46.19 44.43 2kle s LEU 789 CO 0.55 -0.55 0.48 -0.67 -1.32 0.00 0.00 176.35 174.84 2kle n ASP 790 N 3.90 2.52 -0.01 3.68 2.03 -1.26 -5.09 116.55 122.32 2kle n ASP 790 Ca 0.13 -2.72 -0.04 0.00 0.52 0.00 0.00 54.79 52.68 2kle n ASP 790 Cb 0.46 -0.12 -0.01 0.00 -0.72 0.00 0.00 41.12 40.72 2kle n ASP 790 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2kle n LEU 791 N 0.00 1.30 0.00 -2.67 0.00 -1.26 -5.07 117.00 109.30 2kle n LEU 791 Ca 0.02 0.19 0.00 0.00 0.00 0.00 0.00 56.01 56.23 2kle n LEU 791 Cb 0.59 -0.45 0.00 0.00 0.00 0.00 0.00 43.42 43.56 2kle n LEU 791 CO 0.36 -0.47 0.00 -0.67 0.00 0.00 0.00 177.39 176.61 2kle n ASP 792 N -3.78 0.00 -4.02 1.96 2.03 -1.26 -5.13 116.55 106.35 2kle n ASP 792 Ca -0.07 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.16 2kle n ASP 792 Cb 0.25 0.05 -0.11 0.00 -0.72 0.00 0.00 41.12 40.60 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 -0.60 0.35 0.00 -0.67 5.04 -1.26 -5.06 115.29 113.09 2kle s HIS 793 Ca 0.00 -0.72 0.00 0.00 -1.54 0.00 0.00 55.06 52.80 2kle s HIS 793 Cb 0.00 -0.26 0.00 0.00 0.04 0.00 0.00 32.58 32.36 2kle s HIS 793 CO 0.00 -0.25 0.46 -1.13 -2.34 0.00 0.00 174.74 171.47 2kle n SER 794 N 1.08 -0.26 -4.49 9.88 3.41 -1.26 -5.07 113.62 116.91 2kle n SER 794 Ca -0.21 -0.91 -0.39 0.00 -0.26 0.00 0.00 58.87 57.10 2kle n SER 794 Cb 0.57 0.08 -0.11 0.00 -0.26 0.00 0.00 64.21 64.49 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 -0.26 5.75 0.00 4.04 0.15 -1.26 -5.20 113.70 116.92 2kle s SER 795 Ca 0.00 -0.39 0.17 0.00 0.70 0.00 0.00 55.95 56.43 2kle s SER 795 Cb 0.00 -2.06 0.13 0.00 -1.71 0.00 0.00 66.02 62.39 2kle s SER 795 CO 0.00 -0.17 1.04 0.18 1.20 0.00 0.00 173.24 175.48