#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 0.66 -1.50 5.18 2.04 -2.07 -3.44 117.51 118.39 2kle h ILE 725 Ca 0.00 -0.63 -0.48 0.00 1.00 0.00 0.00 64.86 64.75 2kle h ILE 725 Cb 0.00 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2kle h ILE 725 CO 0.00 0.12 -0.36 -0.44 0.00 0.00 0.00 178.15 177.47 2kle s SER 726 N -5.08 5.15 0.66 1.72 0.01 -1.26 -5.13 113.70 109.77 2kle s SER 726 Ca -0.14 -0.69 0.05 0.00 1.31 0.00 0.00 55.95 56.48 2kle s SER 726 Cb 0.02 -0.58 0.12 0.00 0.21 0.00 0.00 66.02 65.79 2kle s SER 726 CO 0.53 -0.67 0.91 -1.61 0.41 0.00 0.00 173.24 172.80 2kle s GLU 727 N -4.17 1.92 0.00 12.44 8.01 -1.26 -5.06 118.70 130.58 2kle s GLU 727 Ca 0.49 -1.49 0.00 0.00 0.01 0.00 0.00 54.97 53.98 2kle s GLU 727 Cb -0.04 -2.50 0.00 0.00 -4.31 0.00 0.00 34.13 27.28 2kle s GLU 727 CO 0.29 -1.22 0.84 0.43 0.01 0.00 0.00 175.26 175.61 2kle n SER 728 N -2.56 0.00 0.00 -0.19 7.64 -1.26 -4.77 113.62 112.48 2kle n SER 728 Ca 0.17 0.84 0.00 0.00 1.01 0.00 0.00 58.87 60.89 2kle n SER 728 Cb 0.61 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 2kle n SER 728 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2kle n LEU 729 N -1.67 0.00 -0.08 -3.43 4.77 -1.26 -4.82 117.00 110.51 2kle n LEU 729 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 2kle n LEU 729 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2kle n LEU 729 CO 0.00 0.00 0.46 0.08 -1.33 0.00 0.00 177.39 176.60 2kle h ARG 730 N 0.00 0.85 0.01 3.23 0.11 -1.95 0.15 114.38 116.77 2kle h ARG 730 Ca 0.00 -0.52 -0.08 0.00 0.10 0.00 0.00 59.98 59.48 2kle h ARG 730 Cb 0.00 0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.12 2kle h ARG 730 CO 0.00 1.15 -0.43 0.37 0.10 0.00 0.00 179.97 181.17 2kle h GLN 731 N 0.66 0.02 -0.03 0.08 5.75 -1.88 -3.33 115.11 116.38 2kle h GLN 731 Ca 0.02 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.49 2kle h GLN 731 Cb 1.11 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.67 2kle h GLN 731 CO 0.11 1.02 0.03 0.78 -2.65 0.00 0.00 178.83 178.12 2kle h GLY 732 N -0.94 0.00 -5.97 2.39 0.00 -1.81 -3.17 103.07 93.58 2kle h GLY 732 Ca -0.11 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.65 2kle h GLY 732 CO -0.05 0.00 -0.88 0.61 0.00 0.00 0.00 176.54 176.22 2kle n GLY 733 N -1.41 4.04 0.00 4.60 0.00 0.51 -4.53 105.19 108.39 2kle n GLY 733 Ca -0.02 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.82 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 0.82 -1.66 3.30 -0.02 0.00 -1.20 -4.76 105.19 101.66 2kle n GLY 734 Ca 0.26 0.58 -0.10 0.00 0.00 0.00 0.00 46.02 46.77 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 1.03 -0.08 1.61 0.00 -1.22 -4.22 119.74 116.86 2kle s LYS 735 Ca 0.00 -0.81 0.03 0.00 0.00 0.00 0.00 55.97 55.19 2kle s LYS 735 Cb 0.00 0.43 0.01 0.00 0.00 0.00 0.00 37.83 38.27 2kle s LYS 735 CO 0.00 -0.38 -0.16 -0.51 0.00 0.00 0.00 175.35 174.30 2kle s LEU 736 N -2.83 1.77 0.04 2.77 1.43 -0.39 -4.58 118.68 116.89 2kle s LEU 736 Ca 0.05 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 2kle s LEU 736 Cb 0.03 -1.00 -0.02 0.00 0.03 0.00 0.00 46.19 45.22 2kle s LEU 736 CO -0.11 0.06 -0.08 0.20 0.23 0.00 0.00 176.35 176.66 2kle s ASN 737 N 0.61 0.86 0.08 2.29 0.02 -1.26 -0.02 114.94 117.51 2kle s ASN 737 Ca -0.15 -0.49 -0.19 0.00 -1.02 0.00 0.00 52.86 51.01 2kle s ASN 737 Cb -0.16 0.02 -0.07 0.00 0.02 0.00 0.00 41.25 41.06 2kle s ASN 737 CO 0.05 -0.16 1.32 0.15 0.02 0.00 0.00 177.10 178.48 2kle h PHE 738 N 4.71 -1.00 0.00 2.20 3.57 -1.10 1.95 116.94 127.27 2kle h PHE 738 Ca -0.35 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.14 2kle h PHE 738 Cb 1.20 0.47 -0.01 0.00 2.79 0.00 0.00 35.95 40.40 2kle h PHE 738 CO 0.61 -0.29 -0.28 -0.44 -2.23 0.00 0.00 178.31 175.69 2kle h ASP 739 N -0.24 0.00 0.29 0.41 5.19 -1.97 -2.72 116.42 117.37 2kle h ASP 739 Ca 0.04 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.12 2kle h ASP 739 Cb 0.35 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 2kle h ASP 739 CO -0.34 0.28 -1.76 -0.08 -3.12 0.00 0.00 179.24 174.21 2kle h GLU 740 N 0.00 0.25 -0.24 3.56 4.57 -1.85 -3.31 114.58 117.57 2kle h GLU 740 Ca -0.00 -0.44 0.07 0.00 -1.18 0.00 0.00 59.36 57.81 2kle h GLU 740 Cb 0.55 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.30 2kle h GLU 740 CO 0.04 1.11 0.20 1.25 -1.18 0.00 0.00 179.01 180.43 2kle h LEU 741 N 0.07 0.00 -1.43 1.64 5.85 0.33 0.43 115.31 122.20 2kle h LEU 741 Ca -0.33 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.44 2kle h LEU 741 Cb 2.04 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 43.03 2kle h LEU 741 CO 0.13 0.00 0.44 0.03 -0.34 0.00 0.00 178.44 178.70 2kle h ARG 742 N 0.00 0.69 -0.83 1.25 2.47 -1.57 0.16 114.38 116.55 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 0.52 -0.16 -0.04 0.00 -1.65 0.00 0.00 29.97 28.64 2kle h ARG 742 CO -0.00 0.45 0.58 0.37 0.56 0.00 0.00 179.97 181.93 2kle h GLN 743 N 0.71 0.13 0.00 0.04 4.15 -0.30 2.00 115.11 121.84 2kle h GLN 743 Ca 0.28 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.70 2kle h GLN 743 Cb 0.22 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.88 2kle h GLN 743 CO -0.09 0.09 -0.00 0.22 -1.93 0.00 0.00 178.83 177.12 2kle h ASP 744 N 0.13 -0.01 -1.10 -0.69 3.58 -0.84 -3.39 116.42 114.11 2kle h ASP 744 Ca 0.41 -0.83 -0.60 0.00 0.42 0.00 0.00 57.03 56.43 2kle h ASP 744 Cb 1.40 0.00 -0.39 0.00 1.72 0.00 0.00 39.33 42.07 2kle h ASP 744 CO -0.06 0.89 -0.34 0.00 -2.88 0.00 0.00 179.24 176.85 2kle n LEU 745 N -4.65 5.58 -4.69 2.28 -0.00 0.31 -4.91 117.00 110.92 2kle n LEU 745 Ca -0.09 -4.80 -0.44 0.00 -0.00 0.00 0.00 56.01 50.69 2kle n LEU 745 Cb 0.40 -0.54 -0.04 0.00 -0.00 0.00 0.00 43.42 43.24 2kle n LEU 745 CO 0.29 2.00 1.34 0.29 -0.00 0.00 0.00 177.39 181.32 2kle n LYS 746 N -0.67 2.54 -1.38 1.47 5.02 0.65 -4.33 118.16 121.46 2kle n LYS 746 Ca 0.47 0.92 0.00 0.00 -2.02 0.00 0.00 58.31 57.68 2kle n LYS 746 Cb 0.77 -2.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.03 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 3.86 -2.68 0.00 0.72 0.00 -1.26 -5.06 105.19 100.77 2kle n GLY 747 Ca 0.17 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 0.08 0.00 -4.40 1.61 0.00 -1.26 -5.16 118.16 109.03 2kle n LYS 748 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.11 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 -0.47 2.00 0.00 2.58 0.00 -1.26 -5.11 107.32 105.06 2kle s GLY 749 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 42.82 2kle s GLY 749 CO 0.00 -1.73 0.00 1.42 0.00 0.00 0.00 173.10 172.79 2kle n HIS 750 N -0.62 0.00 -4.10 1.90 8.25 -1.26 -4.94 115.22 114.45 2kle n HIS 750 Ca -0.02 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.13 2kle n HIS 750 Cb 0.66 -0.16 -0.07 0.00 1.12 0.00 0.00 29.99 31.54 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 -0.42 4.58 0.40 1.59 -4.23 -1.26 -4.99 115.64 111.31 2kle s THR 751 Ca 0.00 -0.58 0.12 0.00 -1.18 0.00 0.00 61.69 60.05 2kle s THR 751 Cb 0.00 -3.13 0.33 0.00 1.34 0.00 0.00 72.50 71.04 2kle s THR 751 CO 0.00 0.26 1.93 0.44 -0.54 0.00 0.00 174.62 176.70 2kle h ASP 752 N 3.79 0.50 -0.59 3.99 3.32 -1.99 -1.64 116.42 123.79 2kle h ASP 752 Ca -0.48 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.57 2kle h ASP 752 Cb 1.17 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 2kle h ASP 752 CO 0.63 0.28 0.29 0.00 -1.72 0.00 0.00 179.24 178.73 2kle h ALA 753 N 1.64 0.76 -0.51 3.45 0.00 -1.98 0.32 119.26 122.94 2kle h ALA 753 Ca 0.36 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2kle h ALA 753 Cb 0.65 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2kle h ALA 753 CO -0.13 0.32 0.17 0.93 0.00 0.00 0.00 179.25 180.53 2kle h GLU 754 N 0.81 0.79 0.03 0.00 5.08 -1.72 -2.28 114.58 117.28 2kle h GLU 754 Ca 0.20 -0.17 -0.25 0.00 -1.00 0.00 0.00 59.36 58.14 2kle h GLU 754 Cb 0.10 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.25 2kle h GLU 754 CO -0.03 0.73 -1.04 0.82 -1.00 0.00 0.00 179.01 178.49 2kle h ILE 755 N 0.70 1.35 -0.42 3.13 2.04 -1.12 -1.70 117.51 121.48 2kle h ILE 755 Ca 0.17 -2.43 -0.02 0.00 1.00 0.00 0.00 64.86 63.57 2kle h ILE 755 Cb 0.26 2.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.81 2kle h ILE 755 CO -0.01 0.73 0.17 -0.08 0.00 0.00 0.00 178.15 178.97 2kle h GLU 756 N 0.28 0.63 -0.02 2.37 4.81 -0.34 -2.12 114.58 120.19 2kle h GLU 756 Ca -0.12 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 2kle h GLU 756 Cb 1.70 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.97 2kle h GLU 756 CO 0.19 0.59 -0.03 0.00 -0.73 0.00 0.00 179.01 179.03 2kle h ALA 757 N 1.02 0.03 -0.66 2.92 0.00 -1.45 -3.29 119.26 117.82 2kle h ALA 757 Ca 0.14 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.86 2kle h ALA 757 Cb 0.19 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 2kle h ALA 757 CO -0.01 -0.19 0.32 0.97 0.00 0.00 0.00 179.25 180.34 2kle h ILE 758 N -0.46 0.86 -0.11 0.00 -0.00 -1.22 -0.30 117.51 116.28 2kle h ILE 758 Ca 0.00 -0.19 -0.08 0.00 -0.00 0.00 0.00 64.86 64.59 2kle h ILE 758 Cb 0.56 0.25 -0.01 0.00 -0.00 0.00 0.00 36.82 37.62 2kle h ILE 758 CO 0.01 0.10 -0.30 2.19 -0.00 0.00 0.00 178.15 180.14 2kle h PHE 759 N 0.56 0.23 -0.66 2.19 -5.15 -1.52 0.14 116.94 112.73 2kle h PHE 759 Ca 0.32 -0.05 0.02 0.00 -0.20 0.00 0.00 57.97 58.06 2kle h PHE 759 Cb 0.31 -0.06 -0.03 0.00 0.22 0.00 0.00 35.95 36.39 2kle h PHE 759 CO -0.11 0.50 0.44 1.15 -2.00 0.00 0.00 178.31 178.28 2kle h THR 760 N 0.18 1.14 0.04 0.88 2.02 -1.11 0.58 112.91 116.64 2kle h THR 760 Ca 0.03 -0.29 -0.36 0.00 0.77 0.00 0.00 66.41 66.55 2kle h THR 760 Cb 0.64 0.21 -0.05 0.00 -1.74 0.00 0.00 68.15 67.21 2kle h THR 760 CO 0.05 0.16 -2.08 1.17 0.37 0.00 0.00 175.52 175.19 2kle n LYS 761 N -4.45 0.65 0.03 6.66 3.00 -1.06 -4.51 118.16 118.49 2kle n LYS 761 Ca 0.07 0.31 0.07 0.00 -0.00 0.00 0.00 58.31 58.76 2kle n LYS 761 Cb 0.07 -1.62 -0.09 0.00 0.00 0.00 0.00 35.03 33.39 2kle n LYS 761 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2kle n TYR 762 N -3.81 0.53 -1.45 5.64 4.01 0.48 -4.97 117.16 117.58 2kle n TYR 762 Ca -0.41 0.16 -0.34 0.00 -0.16 0.00 0.00 57.90 57.16 2kle n TYR 762 Cb 0.91 -0.82 0.09 0.00 -0.31 0.00 0.00 39.34 39.22 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 -5.13 4.27 0.20 7.72 2.15 0.20 -4.93 116.67 121.15 2kle s ASP 763 Ca -0.05 2.31 -0.11 0.00 0.43 0.00 0.00 52.55 55.13 2kle s ASP 763 Cb 0.11 -2.58 0.22 0.00 -0.30 0.00 0.00 42.92 40.36 2kle s ASP 763 CO 0.84 -2.21 1.76 1.56 -0.17 0.00 0.00 175.17 176.96 2kle h GLN 764 N -0.30 0.44 0.00 4.34 7.50 -1.94 -3.11 115.11 122.04 2kle h GLN 764 Ca -0.47 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 58.65 2kle h GLN 764 Cb 1.29 -0.10 0.00 0.00 0.05 0.00 0.00 27.48 28.72 2kle h GLN 764 CO 0.50 0.29 -0.61 -3.47 -1.50 0.00 0.00 178.83 174.03 2kle n ASP 765 N -4.95 0.65 -0.07 1.46 2.03 -1.26 -4.97 116.55 109.44 2kle n ASP 765 Ca 0.07 -0.74 -0.01 0.00 0.52 0.00 0.00 54.79 54.63 2kle n ASP 765 Cb 0.22 1.03 -0.00 0.00 -0.72 0.00 0.00 41.12 41.64 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 0.08 0.29 0.27 0.00 -1.18 -4.75 105.19 101.20 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 -0.71 1.77 -3.34 1.61 8.00 -1.26 -4.48 116.55 118.14 2kle n ASP 767 Ca -0.01 0.29 -0.27 0.00 0.71 0.00 0.00 54.79 55.51 2kle n ASP 767 Cb 0.47 -0.66 0.03 0.00 -0.02 0.00 0.00 41.12 40.94 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 -4.26 -1.37 0.00 -1.24 7.27 -1.26 -4.80 117.38 111.71 2kle n GLN 768 Ca -0.11 1.18 0.00 0.00 0.07 0.00 0.00 57.00 58.14 2kle n GLN 768 Cb 0.41 -1.62 0.00 0.00 2.41 0.00 0.00 30.24 31.44 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 0.27 0.00 -4.42 3.69 0.28 -0.79 -0.49 120.64 119.18 2kle n GLU 769 Ca -0.06 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.60 2kle n GLU 769 Cb 0.61 0.00 -0.13 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 3.00 0.67 -1.84 1.02 0.96 -4.80 118.68 117.69 2kle s LEU 770 Ca 0.00 -0.25 -0.07 0.00 0.02 0.00 0.00 54.13 53.83 2kle s LEU 770 Cb 0.00 -1.72 0.04 0.00 0.02 0.00 0.00 46.19 44.54 2kle s LEU 770 CO 0.00 0.13 0.99 0.42 0.02 0.00 0.00 176.35 177.90 2kle s THR 771 N 0.61 2.73 0.35 5.49 -4.23 -1.26 -2.32 115.64 117.01 2kle s THR 771 Ca -0.04 -0.15 0.04 0.00 -1.18 0.00 0.00 61.69 60.35 2kle s THR 771 Cb -0.15 -3.16 0.28 0.00 1.34 0.00 0.00 72.50 70.82 2kle s THR 771 CO 0.03 -0.17 1.96 -0.08 -0.54 0.00 0.00 174.62 175.82 2kle h GLU 772 N -0.48 0.82 -0.26 3.99 4.22 -1.94 0.14 114.58 121.06 2kle h GLU 772 Ca -0.45 -0.05 -0.12 0.00 0.08 0.00 0.00 59.36 58.82 2kle h GLU 772 Cb 1.30 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 2kle h GLU 772 CO 0.61 0.54 -0.35 0.45 -2.18 0.00 0.00 179.01 178.08 2kle h HIS 773 N 0.84 0.68 -0.06 0.92 3.86 -1.93 0.26 115.15 119.74 2kle h HIS 773 Ca 0.31 -0.18 -0.23 0.00 -1.16 0.00 0.00 60.37 59.11 2kle h HIS 773 Cb 0.15 -0.15 0.02 0.00 1.06 0.00 0.00 27.41 28.48 2kle h HIS 773 CO -0.00 0.86 -0.86 0.93 0.86 0.00 0.00 177.93 179.72 2kle h GLU 774 N 0.49 0.68 0.00 2.45 5.08 -1.68 -3.11 114.58 118.49 2kle h GLU 774 Ca 0.05 -0.66 -0.06 0.00 -1.00 0.00 0.00 59.36 57.70 2kle h GLU 774 Cb 0.84 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 2kle h GLU 774 CO 0.07 1.26 -0.28 1.25 -1.00 0.00 0.00 179.01 180.31 2kle h HIS 775 N 0.35 0.00 -0.93 4.33 2.76 -0.57 0.85 115.15 121.94 2kle h HIS 775 Ca -0.09 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.08 2kle h HIS 775 Cb 1.51 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.43 2kle h HIS 775 CO 0.11 0.28 0.58 0.37 -1.30 0.00 0.00 177.93 177.96 2kle h GLN 776 N 0.00 1.26 0.12 5.26 4.15 -0.41 -3.23 115.11 122.26 2kle h GLN 776 Ca -0.00 -0.10 -0.29 0.00 0.77 0.00 0.00 58.65 59.02 2kle h GLN 776 Cb 0.49 -0.27 -0.00 0.00 0.21 0.00 0.00 27.48 27.91 2kle h GLN 776 CO 0.04 0.87 -1.50 1.96 -1.93 0.00 0.00 178.83 178.26 2kle h GLN 777 N 1.28 0.26 -4.38 1.69 4.20 -1.36 -3.45 115.11 113.36 2kle h GLN 777 Ca 0.34 -0.45 -0.73 0.00 0.06 0.00 0.00 58.65 57.87 2kle h GLN 777 Cb -0.08 0.17 -0.24 0.00 0.30 0.00 0.00 27.48 27.63 2kle h GLN 777 CO -0.07 1.22 -0.38 -1.64 -0.67 0.00 0.00 178.83 177.29 2kle s MET 778 N -2.50 2.89 0.00 1.46 -1.94 0.22 -4.94 119.30 114.49 2kle s MET 778 Ca -0.20 -1.32 0.00 0.00 -1.71 0.00 0.00 55.69 52.47 2kle s MET 778 Cb 0.05 -4.01 0.00 0.00 2.01 0.00 0.00 34.83 32.88 2kle s MET 778 CO 0.78 -0.96 0.00 0.54 -0.01 0.00 0.00 175.02 175.37 2kle n ARG 779 N 5.12 0.00 -3.42 2.03 1.74 -1.26 -4.49 116.66 116.37 2kle n ARG 779 Ca -0.12 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.70 2kle n ARG 779 Cb 0.44 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.77 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 -0.43 2.37 -0.15 0.55 1.01 -1.26 -4.87 116.67 113.89 2kle s ASP 780 Ca 0.00 -2.25 -0.22 0.00 0.71 0.00 0.00 52.55 50.80 2kle s ASP 780 Cb 0.00 -0.23 -0.19 0.00 1.01 0.00 0.00 42.92 43.51 2kle s ASP 780 CO 0.00 -0.27 0.48 -0.78 0.21 0.00 0.00 175.17 174.81 2kle h ASP 781 N 6.75 0.00 1.33 0.27 1.82 -1.96 -3.37 116.42 121.27 2kle h ASP 781 Ca 0.10 -0.68 0.00 0.00 -0.39 0.00 0.00 57.03 56.05 2kle h ASP 781 Cb 0.97 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.98 2kle h ASP 781 CO 0.27 1.00 0.00 0.25 -1.61 0.00 0.00 179.24 179.14 2kle h LEU 782 N -1.00 0.00 -1.64 2.28 5.85 -1.94 -2.51 115.31 116.34 2kle h LEU 782 Ca -0.07 0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.79 2kle h LEU 782 Cb 0.86 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 2kle h LEU 782 CO -0.04 0.00 0.46 -0.08 -0.34 0.00 0.00 178.44 178.44 2kle h GLU 783 N 0.00 0.36 -1.25 1.25 4.81 -1.97 -3.25 114.58 114.53 2kle h GLU 783 Ca 0.00 -0.02 -0.40 0.00 -0.13 0.00 0.00 59.36 58.81 2kle h GLU 783 Cb 0.67 -0.08 -0.40 0.00 0.63 0.00 0.00 28.75 29.56 2kle h GLU 783 CO 0.00 0.24 -1.18 1.63 -0.73 0.00 0.00 179.01 178.97 2kle n LYS 784 N -4.46 1.21 -3.66 1.92 5.02 -0.95 -5.01 118.16 112.22 2kle n LYS 784 Ca 0.13 -3.34 -0.08 0.00 -2.02 0.00 0.00 58.31 52.99 2kle n LYS 784 Cb 0.49 -1.39 -0.08 0.00 -0.02 0.00 0.00 35.03 34.03 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 -2.99 0.62 -0.14 1.97 2.12 -1.20 -5.04 118.70 114.03 2kle s GLU 785 Ca 0.31 1.09 -0.02 0.00 0.36 0.00 0.00 54.97 56.71 2kle s GLU 785 Cb 0.43 0.09 -0.02 0.00 0.26 0.00 0.00 34.13 34.89 2kle s GLU 785 CO 0.00 -0.15 -0.07 0.50 -0.54 0.00 0.00 175.26 175.00 2kle s ARG 786 N 1.54 3.46 0.72 4.30 3.52 -1.26 -4.82 118.95 126.42 2kle s ARG 786 Ca -0.10 -0.58 -0.14 0.00 -0.13 0.00 0.00 55.73 54.78 2kle s ARG 786 Cb -0.06 -2.78 0.04 0.00 -1.56 0.00 0.00 34.95 30.59 2kle s ARG 786 CO -0.17 0.28 1.16 -1.21 -0.81 0.00 0.00 175.30 174.55 2kle s GLU 787 N 0.22 2.26 0.59 5.12 0.41 -1.26 -5.03 118.70 121.01 2kle s GLU 787 Ca -0.05 1.59 -0.06 0.00 -0.41 0.00 0.00 54.97 56.04 2kle s GLU 787 Cb -0.14 -1.87 0.00 0.00 -1.78 0.00 0.00 34.13 30.34 2kle s GLU 787 CO 0.04 -1.70 0.91 0.34 -0.49 0.00 0.00 175.26 174.36 2kle s ASP 788 N -2.34 5.65 -0.99 -0.19 2.15 -1.26 -4.97 116.67 114.73 2kle s ASP 788 Ca 0.71 0.78 -0.18 0.00 0.43 0.00 0.00 52.55 54.28 2kle s ASP 788 Cb -0.25 -1.79 0.13 0.00 -0.30 0.00 0.00 42.92 40.71 2kle s ASP 788 CO 0.46 -1.04 1.22 -0.22 -0.17 0.00 0.00 175.17 175.41 2kle s LEU 789 N -5.01 4.87 0.32 -1.34 2.96 -1.26 -4.96 118.68 114.26 2kle s LEU 789 Ca 0.54 -2.13 -0.03 0.00 -0.22 0.00 0.00 54.13 52.29 2kle s LEU 789 Cb -0.11 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 2kle s LEU 789 CO 0.46 -1.07 0.57 -0.62 -1.32 0.00 0.00 176.35 174.37 2kle s ASP 790 N 3.67 6.38 -0.21 3.68 -1.08 -1.26 -5.04 116.67 122.81 2kle s ASP 790 Ca 0.36 0.64 -0.11 0.00 -0.52 0.00 0.00 52.55 52.92 2kle s ASP 790 Cb -0.04 -2.11 -0.09 0.00 -1.46 0.00 0.00 42.92 39.22 2kle s ASP 790 CO -0.08 -0.25 -0.28 -0.11 0.52 0.00 0.00 175.17 174.97 2kle n LEU 791 N -1.29 1.52 0.11 -1.34 0.00 -1.26 -5.04 117.00 109.70 2kle n LEU 791 Ca -0.03 0.26 0.00 0.00 0.00 0.00 0.00 56.01 56.25 2kle n LEU 791 Cb 0.55 -0.63 0.00 0.00 0.00 0.00 0.00 43.42 43.33 2kle n LEU 791 CO 0.49 0.41 0.00 -0.67 0.00 0.00 0.00 177.39 177.62 2kle n ASP 792 N -3.98 -1.23 0.00 1.96 -0.08 -1.26 -5.16 116.55 106.80 2kle n ASP 792 Ca -0.41 0.40 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 2kle n ASP 792 Cb 0.78 1.32 0.00 0.00 2.34 0.00 0.00 41.12 45.56 2kle n ASP 792 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 2kle n HIS 793 N -3.04 0.00 -2.71 -0.67 -0.00 -1.26 -5.09 115.22 102.45 2kle n HIS 793 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.65 2kle n HIS 793 Cb 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 29.99 30.10 2kle n HIS 793 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2kle n SER 794 N 0.00 -1.86 -4.46 0.26 7.64 -1.26 -5.05 113.62 108.88 2kle n SER 794 Ca 0.00 -2.66 -0.43 0.00 1.01 0.00 0.00 58.87 56.79 2kle n SER 794 Cb 0.00 1.10 -0.04 0.00 -1.01 0.00 0.00 64.21 64.27 2kle n SER 794 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2kle s SER 795 N -1.27 6.19 0.00 6.43 0.15 -1.26 -5.28 113.70 118.66 2kle s SER 795 Ca 0.22 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 55.97 2kle s SER 795 Cb 0.38 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 62.27 2kle s SER 795 CO -0.08 -1.42 0.19 -0.11 1.20 0.00 0.00 173.24 173.02