#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 0.90 -2.25 5.18 2.04 -2.00 -3.45 117.51 117.93 2kle h ILE 725 Ca 0.00 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.84 2kle h ILE 725 Cb 0.00 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 2kle h ILE 725 CO 0.00 0.26 0.00 -1.20 0.00 0.00 0.00 178.15 177.21 2kle n SER 726 N -3.80 0.00 -4.49 1.72 7.64 -1.26 -5.04 113.62 108.38 2kle n SER 726 Ca -0.01 -0.25 -0.29 0.00 1.01 0.00 0.00 58.87 59.32 2kle n SER 726 Cb 0.36 0.00 0.24 0.00 -1.01 0.00 0.00 64.21 63.80 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 -0.25 -2.10 0.00 1.43 1.02 -1.26 -4.96 120.64 114.51 2kle n GLU 727 Ca 0.00 -0.58 0.00 0.00 -0.02 0.00 0.00 57.16 56.56 2kle n GLU 727 Cb 0.00 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 29.24 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 -4.66 0.00 0.00 1.62 3.41 -1.26 -4.68 113.62 108.05 2kle n SER 728 Ca 0.04 0.82 0.00 0.00 -0.26 0.00 0.00 58.87 59.48 2kle n SER 728 Cb 0.54 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.90 0.00 -0.06 1.04 7.94 -1.26 -4.80 117.00 117.97 2kle n LEU 729 Ca 0.00 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.76 2kle n LEU 729 Cb 0.00 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 2kle n LEU 729 CO 0.00 0.00 0.50 0.03 -1.11 0.00 0.00 177.39 176.81 2kle h ARG 730 N 0.00 0.52 0.00 1.96 3.08 -1.95 -0.89 114.38 117.10 2kle h ARG 730 Ca 0.00 -0.33 -0.03 0.00 0.07 0.00 0.00 59.98 59.70 2kle h ARG 730 Cb 0.00 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 2kle h ARG 730 CO 0.00 0.94 -0.39 0.37 -1.07 0.00 0.00 179.97 179.81 2kle h GLN 731 N 0.17 0.00 0.00 0.04 5.75 -1.87 -3.35 115.11 115.85 2kle h GLN 731 Ca 0.01 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2kle h GLN 731 Cb 0.91 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.46 2kle h GLN 731 CO 0.07 0.17 0.00 0.41 -2.65 0.00 0.00 178.83 176.83 2kle n GLY 732 N 1.65 -0.34 2.39 2.39 0.00 -1.26 -2.91 105.19 107.11 2kle n GLY 732 Ca -0.08 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.81 2.58 0.00 -0.02 0.00 -0.34 -4.47 105.19 102.13 2kle n GLY 733 Ca 0.03 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 0.20 -2.06 3.33 -0.02 0.00 -1.15 -4.73 105.19 100.77 2kle n GLY 734 Ca 0.17 0.68 -0.10 0.00 0.00 0.00 0.00 46.02 46.78 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 1.08 -0.09 1.61 0.00 -1.21 -4.27 119.74 116.87 2kle s LYS 735 Ca 0.00 -0.90 0.03 0.00 0.00 0.00 0.00 55.97 55.10 2kle s LYS 735 Cb 0.00 0.43 0.01 0.00 0.00 0.00 0.00 37.83 38.26 2kle s LYS 735 CO 0.00 -0.41 -0.19 -0.51 0.00 0.00 0.00 175.35 174.24 2kle s LEU 736 N -2.87 1.92 0.04 2.77 1.43 -0.22 -4.58 118.68 117.17 2kle s LEU 736 Ca 0.08 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 2kle s LEU 736 Cb 0.02 -1.19 -0.02 0.00 0.03 0.00 0.00 46.19 45.03 2kle s LEU 736 CO -0.08 0.10 -0.08 0.20 0.23 0.00 0.00 176.35 176.73 2kle s ASN 737 N 0.52 0.87 0.12 2.29 0.02 -1.26 0.22 114.94 117.71 2kle s ASN 737 Ca -0.16 -0.51 -0.31 0.00 -1.02 0.00 0.00 52.86 50.86 2kle s ASN 737 Cb -0.17 0.02 -0.11 0.00 0.02 0.00 0.00 41.25 41.01 2kle s ASN 737 CO 0.06 -0.17 1.52 0.15 0.02 0.00 0.00 177.10 178.68 2kle h PHE 738 N 4.65 -1.57 0.00 2.20 3.57 -0.77 1.96 116.94 126.98 2kle h PHE 738 Ca -0.35 0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.15 2kle h PHE 738 Cb 1.20 0.71 -0.01 0.00 2.79 0.00 0.00 35.95 40.65 2kle h PHE 738 CO 0.62 -0.49 -0.29 0.22 -2.23 0.00 0.00 178.31 176.14 2kle h ASP 739 N -0.47 0.00 0.23 0.41 3.58 -1.97 -2.72 116.42 115.48 2kle h ASP 739 Ca 0.05 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.16 2kle h ASP 739 Cb 0.60 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.60 2kle h ASP 739 CO -0.48 0.29 -2.03 1.21 -2.88 0.00 0.00 179.24 175.35 2kle n GLU 740 N -3.82 0.68 0.15 0.28 4.07 -0.97 -3.93 120.64 117.10 2kle n GLU 740 Ca -0.01 0.20 0.16 0.00 -0.06 0.00 0.00 57.16 57.44 2kle n GLU 740 Cb 0.38 -1.68 0.73 0.00 -0.06 0.00 0.00 31.44 30.82 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 0.02 0.00 -1.42 4.31 5.85 0.33 0.41 115.31 124.80 2kle h LEU 741 Ca -0.42 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.36 2kle h LEU 741 Cb 2.06 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 43.05 2kle h LEU 741 CO 0.05 0.00 0.44 0.03 -0.34 0.00 0.00 178.44 178.62 2kle h ARG 742 N 0.00 0.70 -0.89 1.25 2.47 -1.61 0.12 114.38 116.42 2kle h ARG 742 Ca 0.12 -0.04 0.24 0.00 -1.26 0.00 0.00 59.98 59.03 2kle h ARG 742 Cb 0.51 -0.16 -0.05 0.00 -1.65 0.00 0.00 29.97 28.63 2kle h ARG 742 CO -0.00 0.46 0.62 0.37 0.56 0.00 0.00 179.97 181.98 2kle h GLN 743 N 0.72 0.14 0.00 0.04 4.15 -0.37 2.06 115.11 121.85 2kle h GLN 743 Ca 0.28 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.69 2kle h GLN 743 Cb 0.20 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.86 2kle h GLN 743 CO -0.09 0.09 -0.00 0.22 -1.93 0.00 0.00 178.83 177.13 2kle h ASP 744 N 0.15 -0.00 -1.17 -0.69 3.58 -0.92 -3.39 116.42 113.98 2kle h ASP 744 Ca 0.44 -0.94 -0.61 0.00 0.42 0.00 0.00 57.03 56.34 2kle h ASP 744 Cb 1.51 0.00 -0.39 0.00 1.72 0.00 0.00 39.33 42.17 2kle h ASP 744 CO -0.07 0.97 -0.31 0.00 -2.88 0.00 0.00 179.24 176.94 2kle n LEU 745 N -4.62 5.60 -4.57 2.28 -0.00 0.59 -4.92 117.00 111.36 2kle n LEU 745 Ca -0.09 -4.83 -0.40 0.00 -0.00 0.00 0.00 56.01 50.68 2kle n LEU 745 Cb 0.45 -0.56 -0.03 0.00 -0.00 0.00 0.00 43.42 43.28 2kle n LEU 745 CO 0.32 2.01 1.93 0.29 -0.00 0.00 0.00 177.39 181.95 2kle n LYS 746 N -0.65 1.52 0.00 1.47 5.02 0.67 -4.24 118.16 121.94 2kle n LYS 746 Ca 0.47 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 2kle n LYS 746 Cb 0.74 -3.29 0.00 0.00 -0.02 0.00 0.00 35.03 32.46 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 5.91 -0.05 0.00 0.72 0.00 -1.26 -5.06 105.19 105.45 2kle n GLY 747 Ca 0.34 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 0.10 0.00 -3.66 1.61 0.00 -1.26 -5.14 118.16 109.81 2kle n LYS 748 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.06 2kle n LYS 748 Cb 0.00 -0.10 0.02 0.00 -0.00 0.00 0.00 35.03 34.95 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 -1.31 2.20 0.00 2.58 0.00 -1.26 -5.09 107.32 104.43 2kle s GLY 749 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.27 2kle s GLY 749 CO 0.00 -1.89 0.00 1.42 0.00 0.00 0.00 173.10 172.63 2kle n HIS 750 N -1.95 0.00 -4.12 1.90 8.25 -1.26 -4.98 115.22 113.07 2kle n HIS 750 Ca 0.03 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.18 2kle n HIS 750 Cb 0.64 -0.08 -0.07 0.00 1.12 0.00 0.00 29.99 31.59 2kle n HIS 750 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2kle s THR 751 N -0.36 4.35 0.39 1.59 2.01 -1.26 -5.00 115.64 117.36 2kle s THR 751 Ca 0.00 -0.75 0.12 0.00 0.31 0.00 0.00 61.69 61.36 2kle s THR 751 Cb 0.00 -3.05 0.33 0.00 0.01 0.00 0.00 72.50 69.79 2kle s THR 751 CO 0.00 0.20 1.91 0.44 -0.69 0.00 0.00 174.62 176.48 2kle h ASP 752 N 3.62 0.53 -0.76 3.53 3.32 -1.99 -1.74 116.42 122.91 2kle h ASP 752 Ca -0.48 0.03 0.03 0.00 0.02 0.00 0.00 57.03 56.63 2kle h ASP 752 Cb 1.17 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 40.59 2kle h ASP 752 CO 0.62 0.28 0.49 0.00 -1.72 0.00 0.00 179.24 178.91 2kle h ALA 753 N 1.62 1.00 -0.45 3.45 0.00 -1.98 0.45 119.26 123.35 2kle h ALA 753 Ca 0.39 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 2kle h ALA 753 Cb 0.70 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2kle h ALA 753 CO -0.15 0.29 0.13 0.93 0.00 0.00 0.00 179.25 180.45 2kle h GLU 754 N 0.95 0.71 0.04 0.00 5.08 -1.73 -2.28 114.58 117.35 2kle h GLU 754 Ca 0.31 -0.16 -0.26 0.00 -1.00 0.00 0.00 59.36 58.24 2kle h GLU 754 Cb 0.01 -0.10 0.02 0.00 0.50 0.00 0.00 28.75 29.18 2kle h GLU 754 CO -0.11 0.69 -1.08 0.82 -1.00 0.00 0.00 179.01 178.34 2kle h ILE 755 N 0.60 1.33 -0.40 3.13 2.04 -1.23 -1.85 117.51 121.13 2kle h ILE 755 Ca 0.15 -2.41 -0.02 0.00 1.00 0.00 0.00 64.86 63.57 2kle h ILE 755 Cb 0.29 2.50 -0.02 0.00 -0.74 0.00 0.00 36.82 38.85 2kle h ILE 755 CO -0.00 0.73 0.16 -0.08 0.00 0.00 0.00 178.15 178.96 2kle h GLU 756 N 0.30 0.59 -0.03 2.37 4.81 -0.11 -2.12 114.58 120.39 2kle h GLU 756 Ca -0.13 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 58.98 2kle h GLU 756 Cb 1.73 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 31.02 2kle h GLU 756 CO 0.20 0.55 -0.03 0.00 -0.73 0.00 0.00 179.01 179.01 2kle h ALA 757 N 1.01 0.04 -0.63 2.92 0.00 -1.46 -3.28 119.26 117.85 2kle h ALA 757 Ca 0.13 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.86 2kle h ALA 757 Cb 0.18 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 2kle h ALA 757 CO -0.01 -0.19 0.30 0.97 0.00 0.00 0.00 179.25 180.32 2kle h ILE 758 N -0.40 0.87 -0.08 0.00 -0.00 -1.24 -0.62 117.51 116.04 2kle h ILE 758 Ca 0.00 -0.19 -0.08 0.00 -0.00 0.00 0.00 64.86 64.60 2kle h ILE 758 Cb 0.52 0.28 -0.01 0.00 -0.00 0.00 0.00 36.82 37.61 2kle h ILE 758 CO 0.01 0.10 -0.31 2.19 -0.00 0.00 0.00 178.15 180.14 2kle h PHE 759 N 0.54 0.17 -0.69 2.19 -5.15 -1.51 0.15 116.94 112.64 2kle h PHE 759 Ca 0.30 -0.03 0.03 0.00 -0.20 0.00 0.00 57.97 58.07 2kle h PHE 759 Cb 0.29 -0.04 -0.04 0.00 0.22 0.00 0.00 35.95 36.38 2kle h PHE 759 CO -0.12 0.45 0.46 1.15 -2.00 0.00 0.00 178.31 178.25 2kle h THR 760 N 0.14 1.12 0.03 0.88 2.02 -1.16 0.64 112.91 116.57 2kle h THR 760 Ca 0.02 -0.29 -0.34 0.00 0.77 0.00 0.00 66.41 66.56 2kle h THR 760 Cb 0.62 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.18 2kle h THR 760 CO 0.05 0.16 -1.91 1.17 0.37 0.00 0.00 175.52 175.35 2kle n LYS 761 N -4.45 0.62 0.03 6.66 4.81 -0.97 -4.45 118.16 120.41 2kle n LYS 761 Ca 0.08 0.38 0.11 0.00 -0.87 0.00 0.00 58.31 58.01 2kle n LYS 761 Cb 0.10 -1.64 -0.07 0.00 0.02 0.00 0.00 35.03 33.44 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 -4.04 0.36 -1.49 5.64 4.02 0.47 -4.95 117.16 117.18 2kle n TYR 762 Ca -0.40 0.10 -0.34 0.00 -0.01 0.00 0.00 57.90 57.26 2kle n TYR 762 Cb 0.85 -0.60 0.08 0.00 -0.02 0.00 0.00 39.34 39.65 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 -4.56 4.40 0.18 7.72 2.15 0.22 -4.93 116.67 121.85 2kle s ASP 763 Ca -0.02 2.24 -0.13 0.00 0.43 0.00 0.00 52.55 55.06 2kle s ASP 763 Cb 0.13 -2.58 0.17 0.00 -0.30 0.00 0.00 42.92 40.34 2kle s ASP 763 CO 0.85 -2.12 1.74 1.56 -0.17 0.00 0.00 175.17 177.03 2kle h GLN 764 N -0.29 0.30 0.00 4.34 7.50 -1.92 -3.15 115.11 121.88 2kle h GLN 764 Ca -0.47 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 58.66 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 0.51 0.20 -0.67 -0.25 -1.50 0.00 0.00 178.83 177.12 2kle n ASP 765 N -5.04 0.72 -0.62 1.46 8.00 -1.26 -4.97 116.55 114.85 2kle n ASP 765 Ca 0.05 -0.71 -0.07 0.00 0.71 0.00 0.00 54.79 54.77 2kle n ASP 765 Cb 0.21 1.05 -0.03 0.00 -0.02 0.00 0.00 41.12 42.33 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 1.33 0.70 0.28 0.44 0.00 -1.19 -4.78 105.19 101.97 2kle n GLY 766 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.74 1.17 -3.38 1.61 8.00 -1.26 -4.54 116.55 117.41 2kle n ASP 767 Ca -0.07 0.19 -0.30 0.00 0.71 0.00 0.00 54.79 55.31 2kle n ASP 767 Cb 0.51 -0.56 0.03 0.00 -0.02 0.00 0.00 41.12 41.07 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 -3.67 -1.52 0.00 -1.24 7.27 -1.26 -4.79 117.38 112.18 2kle n GLN 768 Ca -0.07 1.24 0.00 0.00 0.07 0.00 0.00 57.00 58.24 2kle n GLN 768 Cb 0.27 -1.72 0.00 0.00 2.41 0.00 0.00 30.24 31.20 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 0.15 0.00 -4.47 3.69 0.28 -0.75 -0.04 120.64 119.50 2kle n GLU 769 Ca -0.07 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.60 2kle n GLU 769 Cb 0.63 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.37 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 2.96 0.67 -1.84 1.02 0.13 -4.80 118.68 116.82 2kle s LEU 770 Ca 0.00 -0.26 -0.06 0.00 0.02 0.00 0.00 54.13 53.83 2kle s LEU 770 Cb 0.00 -1.70 0.05 0.00 0.02 0.00 0.00 46.19 44.55 2kle s LEU 770 CO 0.00 0.13 0.97 0.42 0.02 0.00 0.00 176.35 177.89 2kle s THR 771 N 0.57 2.64 0.37 5.49 -4.23 -1.26 -2.23 115.64 116.98 2kle s THR 771 Ca -0.05 -0.22 0.06 0.00 -1.18 0.00 0.00 61.69 60.29 2kle s THR 771 Cb -0.15 -3.11 0.29 0.00 1.34 0.00 0.00 72.50 70.87 2kle s THR 771 CO 0.03 -0.12 1.98 -0.08 -0.54 0.00 0.00 174.62 175.89 2kle h GLU 772 N -0.45 0.71 -0.35 3.99 4.22 -1.93 0.15 114.58 120.90 2kle h GLU 772 Ca -0.44 -0.04 -0.11 0.00 0.08 0.00 0.00 59.36 58.85 2kle h GLU 772 Cb 1.30 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2kle h GLU 772 CO 0.60 0.47 -0.22 0.45 -2.18 0.00 0.00 179.01 178.12 2kle h HIS 773 N 0.73 0.77 0.09 0.92 -0.00 -1.93 0.17 115.15 115.90 2kle h HIS 773 Ca 0.29 -0.17 -0.29 0.00 -0.00 0.00 0.00 60.37 60.19 2kle h HIS 773 Cb 0.21 -0.19 0.03 0.00 -0.00 0.00 0.00 27.41 27.46 2kle h HIS 773 CO -0.00 0.85 -1.20 0.93 -0.00 0.00 0.00 177.93 178.50 2kle h GLU 774 N 0.60 0.64 -0.49 2.45 5.08 -1.66 -3.15 114.58 118.06 2kle h GLU 774 Ca 0.09 -0.81 -0.02 0.00 -1.00 0.00 0.00 59.36 57.61 2kle h GLU 774 Cb 0.70 0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 2kle h GLU 774 CO 0.05 1.37 0.22 1.25 -1.00 0.00 0.00 179.01 180.90 2kle h HIS 775 N 0.30 0.68 -0.92 4.33 2.76 -0.56 -0.89 115.15 120.86 2kle h HIS 775 Ca -0.18 -0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.02 2kle h HIS 775 Cb 1.87 -0.21 -0.05 0.00 1.55 0.00 0.00 27.41 30.56 2kle h HIS 775 CO 0.11 0.51 0.60 0.37 -1.30 0.00 0.00 177.93 178.22 2kle h GLN 776 N 0.68 1.08 0.11 5.26 4.15 -0.63 -3.12 115.11 122.65 2kle h GLN 776 Ca 0.17 -0.06 -0.28 0.00 0.77 0.00 0.00 58.65 59.24 2kle h GLN 776 Cb 0.10 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 2kle h GLN 776 CO -0.02 0.71 -1.46 1.96 -1.93 0.00 0.00 178.83 178.09 2kle h GLN 777 N 1.11 0.24 0.00 1.69 4.20 -1.37 -3.46 115.11 117.52 2kle h GLN 777 Ca 0.37 -0.40 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2kle h GLN 777 Cb 0.08 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.01 2kle h GLN 777 CO -0.12 1.19 0.00 -1.33 -0.67 0.00 0.00 178.83 177.90 2kle n MET 778 N -3.90 0.00 -2.56 1.46 2.81 -0.41 -4.94 117.12 109.58 2kle n MET 778 Ca -0.26 0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.35 2kle n MET 778 Cb 0.91 -0.42 0.00 0.00 -0.71 0.00 0.00 33.22 33.00 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 -0.07 3.54 -0.64 0.03 0.52 -1.25 -5.03 118.95 116.06 2kle s ARG 779 Ca 0.00 0.25 0.05 0.00 -0.52 0.00 0.00 55.73 55.51 2kle s ARG 779 Cb 0.00 -2.35 0.17 0.00 0.52 0.00 0.00 34.95 33.29 2kle s ARG 779 CO 0.00 -0.24 0.45 -0.51 0.02 0.00 0.00 175.30 175.02 2kle s ASP 780 N -4.12 4.14 -0.11 0.23 1.01 -1.26 -4.86 116.67 111.70 2kle s ASP 780 Ca 0.48 -3.65 -0.18 0.00 0.71 0.00 0.00 52.55 49.91 2kle s ASP 780 Cb -0.10 -1.39 -0.16 0.00 1.01 0.00 0.00 42.92 42.28 2kle s ASP 780 CO 0.46 -0.11 0.54 -0.78 0.21 0.00 0.00 175.17 175.48 2kle h ASP 781 N 5.51 -0.03 1.29 0.27 1.82 -1.95 -3.35 116.42 119.98 2kle h ASP 781 Ca 0.16 -0.56 0.00 0.00 -0.39 0.00 0.00 57.03 56.24 2kle h ASP 781 Cb 0.79 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.81 2kle h ASP 781 CO 0.65 0.72 0.00 0.25 -1.61 0.00 0.00 179.24 179.25 2kle h LEU 782 N -0.97 0.00 -1.85 2.28 5.85 -1.91 -1.26 115.31 117.44 2kle h LEU 782 Ca -0.00 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 2kle h LEU 782 Cb 0.58 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2kle h LEU 782 CO 0.01 0.00 0.15 -0.08 -0.34 0.00 0.00 178.44 178.17 2kle h GLU 783 N 0.00 0.19 -2.01 1.25 4.81 -1.96 -3.30 114.58 113.56 2kle h GLU 783 Ca 0.00 -0.01 -0.51 0.00 -0.13 0.00 0.00 59.36 58.71 2kle h GLU 783 Cb 0.65 -0.04 -0.40 0.00 0.63 0.00 0.00 28.75 29.58 2kle h GLU 783 CO 0.00 0.13 -1.14 1.63 -0.73 0.00 0.00 179.01 178.89 2kle n LYS 784 N -4.50 1.00 -3.64 1.92 5.02 -0.49 -5.06 118.16 112.41 2kle n LYS 784 Ca 0.01 -3.40 -0.05 0.00 -2.02 0.00 0.00 58.31 52.84 2kle n LYS 784 Cb 0.15 -1.59 -0.06 0.00 -0.02 0.00 0.00 35.03 33.51 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 -2.10 0.25 -0.18 1.97 -6.30 -1.15 -4.95 118.70 106.24 2kle s GLU 785 Ca 0.39 0.22 0.01 0.00 -2.50 0.00 0.00 54.97 53.09 2kle s GLU 785 Cb 0.29 0.12 0.03 0.00 0.00 0.00 0.00 34.13 34.57 2kle s GLU 785 CO -0.09 -0.04 -0.15 0.50 0.02 0.00 0.00 175.26 175.50 2kle s ARG 786 N -0.21 2.41 0.56 4.30 3.52 -1.26 -4.80 118.95 123.47 2kle s ARG 786 Ca 0.05 -0.74 -0.15 0.00 -0.13 0.00 0.00 55.73 54.76 2kle s ARG 786 Cb -0.04 -2.35 -0.06 0.00 -1.56 0.00 0.00 34.95 30.95 2kle s ARG 786 CO -0.10 -0.30 1.01 -1.21 -0.81 0.00 0.00 175.30 173.90 2kle s GLU 787 N 1.39 3.68 0.55 5.12 2.02 -1.26 -5.07 118.70 125.13 2kle s GLU 787 Ca 0.03 0.96 -0.03 0.00 0.02 0.00 0.00 54.97 55.94 2kle s GLU 787 Cb -0.14 -2.09 0.01 0.00 0.10 0.00 0.00 34.13 32.01 2kle s GLU 787 CO -0.10 -0.50 0.83 0.34 0.02 0.00 0.00 175.26 175.85 2kle s ASP 788 N -3.30 5.59 -0.97 -0.19 2.15 -1.26 -4.99 116.67 113.70 2kle s ASP 788 Ca 0.59 0.50 -0.18 0.00 0.43 0.00 0.00 52.55 53.89 2kle s ASP 788 Cb -0.12 -1.54 0.13 0.00 -0.30 0.00 0.00 42.92 41.09 2kle s ASP 788 CO 0.39 -0.99 1.19 -0.22 -0.17 0.00 0.00 175.17 175.36 2kle s LEU 789 N -4.85 4.93 0.56 -1.34 2.96 -1.26 -4.96 118.68 114.71 2kle s LEU 789 Ca 0.53 -2.11 0.08 0.00 -0.22 0.00 0.00 54.13 52.41 2kle s LEU 789 Cb -0.10 -2.41 0.07 0.00 0.50 0.00 0.00 46.19 44.24 2kle s LEU 789 CO 0.42 -1.06 0.65 -0.62 -1.32 0.00 0.00 176.35 174.42 2kle s ASP 790 N 3.65 4.97 -0.13 3.68 -1.08 -1.26 -5.09 116.67 121.41 2kle s ASP 790 Ca 0.35 -0.96 -0.07 0.00 -0.52 0.00 0.00 52.55 51.35 2kle s ASP 790 Cb -0.04 0.28 -0.06 0.00 -1.46 0.00 0.00 42.92 41.64 2kle s ASP 790 CO -0.08 -1.23 -0.18 -0.11 0.52 0.00 0.00 175.17 174.08 2kle n LEU 791 N -2.06 1.08 0.00 -1.34 0.00 -1.26 -5.08 117.00 108.34 2kle n LEU 791 Ca 0.10 0.18 0.00 0.00 0.00 0.00 0.00 56.01 56.29 2kle n LEU 791 Cb 0.62 -0.44 0.00 0.00 0.00 0.00 0.00 43.42 43.61 2kle n LEU 791 CO 0.40 0.19 0.00 -0.67 0.00 0.00 0.00 177.39 177.31 2kle n ASP 792 N -3.69 0.00 -3.98 1.96 2.03 -1.26 -5.13 116.55 106.47 2kle n ASP 792 Ca -0.25 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 54.96 2kle n ASP 792 Cb 0.64 0.18 -0.11 0.00 -0.72 0.00 0.00 41.12 41.11 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 -0.37 0.29 -0.19 -0.67 5.04 -1.26 -5.04 115.29 113.08 2kle s HIS 793 Ca 0.00 -0.52 0.07 0.00 -1.54 0.00 0.00 55.06 53.07 2kle s HIS 793 Cb 0.00 -0.20 0.23 0.00 0.04 0.00 0.00 32.58 32.65 2kle s HIS 793 CO 0.00 -0.18 1.09 -1.13 -2.34 0.00 0.00 174.74 172.18 2kle n SER 794 N 1.61 -0.84 -4.58 9.88 3.41 -1.26 -5.09 113.62 116.76 2kle n SER 794 Ca -0.24 -1.69 -0.42 0.00 -0.26 0.00 0.00 58.87 56.26 2kle n SER 794 Cb 0.55 0.40 -0.02 0.00 -0.26 0.00 0.00 64.21 64.88 2kle n SER 794 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2kle s SER 795 N -0.63 6.42 0.00 4.04 0.01 -1.26 -5.19 113.70 117.09 2kle s SER 795 Ca 0.05 0.22 0.03 0.00 1.31 0.00 0.00 55.95 57.56 2kle s SER 795 Cb 0.25 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.95 2kle s SER 795 CO -0.07 -1.48 0.59 0.18 0.41 0.00 0.00 173.24 172.87