#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f68 s ASP 731 N 0.00 2.01 0.11 1.61 1.47 -1.26 -4.66 116.67 115.95 1f68 s ASP 731 Ca 0.00 1.54 -0.30 0.00 1.18 0.00 0.00 52.55 54.97 1f68 s ASP 731 Cb 0.00 -2.23 -0.10 0.00 -0.34 0.00 0.00 42.92 40.25 1f68 s ASP 731 CO 0.00 -3.57 1.60 1.56 0.68 0.00 0.00 175.17 175.45 1f68 h GLN 732 N -2.19 -0.61 0.39 2.11 7.50 -2.05 0.82 115.11 121.08 1f68 h GLN 732 Ca -0.55 0.04 -0.01 0.00 0.50 0.00 0.00 58.65 58.63 1f68 h GLN 732 Cb 1.31 0.14 -0.01 0.00 0.05 0.00 0.00 27.48 28.97 1f68 h GLN 732 CO 0.51 -0.41 -0.31 1.25 -1.50 0.00 0.00 178.83 178.37 1f68 h LEU 733 N -0.63 -0.82 -0.47 1.46 5.85 -1.99 0.10 115.31 118.81 1f68 h LEU 733 Ca 0.01 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.88 1f68 h LEU 733 Cb 0.64 0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.86 1f68 h LEU 733 CO -0.18 -0.46 0.05 0.22 -0.34 0.00 0.00 178.44 177.73 1f68 h TYR 734 N -0.70 0.07 -0.78 1.25 3.20 -1.87 0.17 116.97 118.30 1f68 h TYR 734 Ca -0.03 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.88 1f68 h TYR 734 Cb 0.61 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.88 1f68 h TYR 734 CO -0.15 -0.05 0.51 1.15 -1.64 0.00 0.00 178.16 177.98 1f68 h THR 735 N 0.17 1.17 -0.22 1.81 2.02 -0.62 0.65 112.91 117.89 1f68 h THR 735 Ca 0.24 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1f68 h THR 735 Cb 0.33 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1f68 h THR 735 CO -0.34 0.19 0.14 0.74 0.37 0.00 0.00 175.52 176.62 1f68 h THR 736 N 1.03 1.05 -0.37 3.16 2.02 0.11 0.12 112.91 120.03 1f68 h THR 736 Ca 0.30 -0.10 0.04 0.00 0.77 0.00 0.00 66.41 67.41 1f68 h THR 736 Cb -0.07 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 1f68 h THR 736 CO -0.08 0.05 0.16 -0.07 0.37 0.00 0.00 175.52 175.95 1f68 h LEU 737 N 0.29 0.20 -0.61 2.58 3.38 -0.24 0.17 115.31 121.07 1f68 h LEU 737 Ca 0.08 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1f68 h LEU 737 Cb -0.03 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1f68 h LEU 737 CO -0.02 0.16 0.40 0.50 0.09 0.00 0.00 178.44 179.56 1f68 h LYS 738 N 0.33 0.79 -0.40 1.13 3.64 -0.58 1.00 116.57 122.47 1f68 h LYS 738 Ca 0.16 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1f68 h LYS 738 Cb 0.11 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1f68 h LYS 738 CO -0.14 0.52 0.16 -0.91 -2.27 0.00 0.00 179.45 176.81 1f68 h ASN 739 N 0.81 0.55 -0.16 4.20 2.35 -0.27 0.34 115.58 123.40 1f68 h ASN 739 Ca 0.23 -0.17 0.03 0.00 -0.55 0.00 0.00 56.30 55.85 1f68 h ASN 739 Cb -0.07 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 1f68 h ASN 739 CO -0.06 0.57 -0.03 0.25 -1.65 0.00 0.00 177.43 176.50 1f68 h LEU 740 N 0.50 -0.13 -0.55 1.61 5.85 -0.26 0.18 115.31 122.51 1f68 h LEU 740 Ca 0.13 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.98 1f68 h LEU 740 Cb 0.19 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 1f68 h LEU 740 CO -0.01 -0.04 0.20 0.25 -0.34 0.00 0.00 178.44 178.49 1f68 h LEU 741 N 0.01 0.20 -0.74 2.25 5.85 -0.67 0.03 115.31 122.25 1f68 h LEU 741 Ca 0.08 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.89 1f68 h LEU 741 Cb 0.11 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1f68 h LEU 741 CO -0.16 0.13 0.47 0.00 -0.34 0.00 0.00 178.44 178.54 1f68 h ALA 742 N 1.37 0.96 -0.15 1.25 0.00 0.06 0.13 119.26 122.89 1f68 h ALA 742 Ca 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1f68 h ALA 742 Cb 0.31 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1f68 h ALA 742 CO -0.27 0.27 0.09 1.96 0.00 0.00 0.00 179.25 181.29 1f68 h GLN 743 N 0.92 0.18 -0.03 0.00 1.08 0.28 0.14 115.11 117.68 1f68 h GLN 743 Ca 0.29 -0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.52 1f68 h GLN 743 Cb 0.00 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.35 1f68 h GLN 743 CO -0.10 0.12 -0.24 0.82 -0.95 0.00 0.00 178.83 178.47 1f68 h ILE 744 N 0.18 0.44 -0.97 2.54 2.04 -0.58 0.91 117.51 122.08 1f68 h ILE 744 Ca 0.06 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.00 1f68 h ILE 744 Cb -0.01 0.44 -0.07 0.00 -0.74 0.00 0.00 36.82 36.44 1f68 h ILE 744 CO -0.02 0.00 0.62 0.11 0.00 0.00 0.00 178.15 178.85 1f68 h LYS 745 N -0.36 1.05 -0.80 2.37 1.57 -0.45 -1.53 116.57 118.43 1f68 h LYS 745 Ca 0.07 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1f68 h LYS 745 Cb 0.46 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 1f68 h LYS 745 CO -0.23 0.70 0.36 0.77 -0.57 0.00 0.00 179.45 180.47 1f68 h SER 746 N 1.08 1.07 -2.11 0.86 0.02 -0.04 -3.42 113.55 111.01 1f68 h SER 746 Ca 0.44 -0.15 -0.57 0.00 -0.84 0.00 0.00 61.79 60.67 1f68 h SER 746 Cb 0.25 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.53 1f68 h SER 746 CO -0.20 0.92 1.34 1.57 -1.14 0.00 0.00 176.83 179.32 1f68 n HIS 747 N -4.33 2.23 -0.30 3.45 -0.00 0.25 -4.87 115.22 111.66 1f68 n HIS 747 Ca 0.07 -0.21 0.14 0.00 -0.00 0.00 0.00 57.72 57.72 1f68 n HIS 747 Cb 0.16 -2.75 0.30 0.00 -0.00 0.00 0.00 29.99 27.70 1f68 n HIS 747 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1f68 h PRO 748 N 12.38 0.17 0.00 1.57 0.11 -1.82 -0.02 132.00 144.38 1f68 h PRO 748 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1f68 h PRO 748 Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1f68 h PRO 748 CO 0.95 0.11 0.51 0.77 -0.21 0.00 0.00 178.00 180.13 1f68 h SER 749 N 0.17 0.00 -0.84 -2.05 0.02 -1.89 0.25 113.55 109.21 1f68 h SER 749 Ca 0.57 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.57 1f68 h SER 749 Cb 1.18 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.67 1f68 h SER 749 CO -0.70 0.00 0.55 0.00 -1.14 0.00 0.00 176.83 175.55 1f68 h ALA 750 N 0.91 1.53 -0.89 3.77 0.00 -1.18 -3.37 119.26 120.03 1f68 h ALA 750 Ca 0.00 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.00 1f68 h ALA 750 Cb 1.01 -0.27 -0.14 0.00 0.00 0.00 0.00 17.79 18.40 1f68 h ALA 750 CO 0.00 0.36 -0.43 0.11 0.00 0.00 0.00 179.25 179.29 1f68 h TRP 751 N 0.99 -1.27 -0.92 0.00 5.08 -1.16 0.21 115.95 118.87 1f68 h TRP 751 Ca 0.35 0.10 0.24 0.00 1.08 0.00 0.00 58.89 60.67 1f68 h TRP 751 Cb 0.13 0.68 -0.05 0.00 -3.00 0.00 0.00 29.16 26.92 1f68 h TRP 751 CO -0.00 -0.40 0.64 -1.00 -1.28 0.00 0.00 178.44 176.40 1f68 h PRO 752 N -0.05 0.19 -0.08 0.12 0.13 -1.84 -1.35 132.00 129.12 1f68 h PRO 752 Ca 0.27 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.39 1f68 h PRO 752 Cb 0.55 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.64 1f68 h PRO 752 CO -0.90 0.12 0.00 1.19 -0.23 0.00 0.00 178.00 178.18 1f68 n PHE 753 N -4.40 0.07 -0.04 1.56 3.72 0.69 -4.20 117.46 114.86 1f68 n PHE 753 Ca 0.20 -0.04 -0.12 0.00 -0.05 0.00 0.00 57.45 57.44 1f68 n PHE 753 Cb 0.87 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.33 1f68 n PHE 753 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1f68 h MET 754 N 4.24 0.25 -6.30 -1.08 2.86 -0.76 0.13 114.93 114.27 1f68 h MET 754 Ca 0.00 -0.11 -0.55 0.00 -2.06 0.00 0.00 59.70 56.98 1f68 h MET 754 Cb 0.91 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.52 1f68 h MET 754 CO 0.00 0.58 0.55 -2.00 1.06 0.00 0.00 176.91 177.09 1f68 s GLU 755 N -4.61 4.44 0.28 1.72 2.12 -1.26 -3.51 118.70 117.88 1f68 s GLU 755 Ca -0.14 1.44 -0.29 0.00 0.36 0.00 0.00 54.97 56.33 1f68 s GLU 755 Cb 0.05 -3.52 -0.10 0.00 0.26 0.00 0.00 34.13 30.82 1f68 s GLU 755 CO 0.72 -0.28 1.33 -1.25 -0.54 0.00 0.00 175.26 175.24 1f68 s PRO 756 N 1.82 4.36 -0.73 4.30 0.04 -1.26 -4.92 135.00 138.61 1f68 s PRO 756 Ca 0.50 2.18 -0.26 0.00 0.04 0.00 0.00 61.00 63.47 1f68 s PRO 756 Cb -0.20 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.21 1f68 s PRO 756 CO 0.21 -0.23 1.80 0.08 0.04 0.00 0.00 177.00 178.89 1f68 s VAL 757 N -0.63 3.45 0.72 -0.36 1.01 -1.26 -4.96 120.40 118.37 1f68 s VAL 757 Ca 0.53 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 62.40 1f68 s VAL 757 Cb -0.39 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 31.87 1f68 s VAL 757 CO 0.47 -1.09 1.10 -0.54 0.00 0.00 0.00 175.10 175.05 1f68 s LYS 758 N 6.77 2.76 0.48 2.72 1.02 -1.26 -4.77 119.74 127.46 1f68 s LYS 758 Ca 0.63 0.45 0.15 0.00 0.02 0.00 0.00 55.97 57.22 1f68 s LYS 758 Cb -0.10 -2.01 1.14 0.00 -0.52 0.00 0.00 37.83 36.34 1f68 s LYS 758 CO 0.12 -1.10 2.07 0.87 -0.92 0.00 0.00 175.35 176.39 1f68 h LYS 759 N -0.70 0.21 0.00 1.68 1.57 -1.93 0.17 116.57 117.57 1f68 h LYS 759 Ca -0.45 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.31 1f68 h LYS 759 Cb 1.26 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.52 1f68 h LYS 759 CO 0.64 0.14 -0.05 0.66 -0.57 0.00 0.00 179.45 180.27 1f68 h SER 760 N 0.22 0.00 0.00 0.86 4.64 -1.99 -3.32 113.55 113.96 1f68 h SER 760 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1f68 h SER 760 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1f68 h SER 760 CO -0.02 0.05 -0.58 -0.62 -0.87 0.00 0.00 176.83 174.78 1f68 n GLU 761 N -3.91 0.38 -3.02 4.77 1.02 0.38 -5.00 120.64 115.25 1f68 n GLU 761 Ca -0.03 0.31 -0.01 0.00 -0.02 0.00 0.00 57.16 57.41 1f68 n GLU 761 Cb 0.13 -1.34 -0.00 0.00 -0.02 0.00 0.00 31.44 30.21 1f68 n GLU 761 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1f68 s ALA 762 N -2.87 -2.36 0.22 0.62 0.00 0.00 -5.02 121.76 112.36 1f68 s ALA 762 Ca -0.17 0.01 -0.08 0.00 0.00 0.00 0.00 51.96 51.72 1f68 s ALA 762 Cb 0.02 -2.74 0.34 0.00 0.00 0.00 0.00 23.12 20.74 1f68 s ALA 762 CO 0.25 -2.24 1.72 -1.35 0.00 0.00 0.00 175.76 174.15 1f68 h PRO 763 N 6.17 0.35 -0.44 0.00 0.11 -1.72 -0.68 132.00 135.78 1f68 h PRO 763 Ca 0.05 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 66.27 1f68 h PRO 763 Cb 1.15 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1f68 h PRO 763 CO 0.06 0.23 0.64 0.38 -0.21 0.00 0.00 178.00 179.10 1f68 h ASP 764 N 0.36 0.00 -1.01 -2.05 2.03 -1.95 0.05 116.42 113.84 1f68 h ASP 764 Ca 0.34 0.00 0.24 0.00 -0.73 0.00 0.00 57.03 56.88 1f68 h ASP 764 Cb 0.49 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 38.89 1f68 h ASP 764 CO -0.38 0.00 0.64 0.22 -1.03 0.00 0.00 179.24 178.69 1f68 h TYR 765 N 0.00 0.79 0.00 4.15 3.20 -1.50 0.13 116.97 123.73 1f68 h TYR 765 Ca 0.21 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.00 1f68 h TYR 765 Cb 1.49 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 39.51 1f68 h TYR 765 CO 0.00 0.10 -0.50 1.88 -1.64 0.00 0.00 178.16 178.00 1f68 h TYR 766 N 0.50 0.00 0.13 -3.82 0.05 -1.17 0.33 116.97 112.99 1f68 h TYR 766 Ca 0.59 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 59.09 1f68 h TYR 766 Cb 1.31 0.00 0.01 0.00 1.01 0.00 0.00 36.73 39.06 1f68 h TYR 766 CO -0.00 0.50 -1.24 0.93 -1.05 0.00 0.00 178.16 177.30 1f68 h GLU 767 N 0.00 0.36 0.01 4.88 3.07 -0.98 -3.25 114.58 118.68 1f68 h GLU 767 Ca -0.01 -0.57 -0.00 0.00 -0.50 0.00 0.00 59.36 58.29 1f68 h GLU 767 Cb 1.16 0.20 0.00 0.00 -0.84 0.00 0.00 28.75 29.27 1f68 h GLU 767 CO 0.07 1.25 -0.00 0.28 -1.40 0.00 0.00 179.01 179.20 1f68 h VAL 768 N 0.12 0.00 -2.18 3.13 2.07 -1.03 -3.41 116.25 114.95 1f68 h VAL 768 Ca -0.15 -0.61 -0.72 0.00 0.82 0.00 0.00 66.70 66.05 1f68 h VAL 768 Cb 1.95 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 31.54 1f68 h VAL 768 CO 0.21 0.00 1.20 -0.63 0.02 0.00 0.00 177.57 178.38 1f68 s ILE 769 N -1.40 4.87 0.47 4.57 -1.09 0.12 -4.86 121.20 123.88 1f68 s ILE 769 Ca -0.00 -2.19 0.21 0.00 -2.23 0.00 0.00 60.65 56.43 1f68 s ILE 769 Cb 0.00 -4.88 0.38 0.00 -1.58 0.00 0.00 42.46 36.38 1f68 s ILE 769 CO 0.01 -1.60 1.94 0.03 -1.23 0.00 0.00 174.94 174.08 1f68 h ARG 770 N 7.82 0.23 -2.84 2.79 2.47 -1.77 -3.23 114.38 119.85 1f68 h ARG 770 Ca 0.26 -0.01 -0.67 0.00 -1.26 0.00 0.00 59.98 58.30 1f68 h ARG 770 Cb 0.93 -0.05 -0.38 0.00 -1.65 0.00 0.00 29.97 28.82 1f68 h ARG 770 CO 1.21 0.15 -0.22 1.19 0.56 0.00 0.00 179.97 182.86 1f68 n PHE 771 N -4.43 3.58 -1.51 3.04 3.72 -1.26 -5.03 117.46 115.57 1f68 n PHE 771 Ca 0.13 -3.96 -0.32 0.00 -0.05 0.00 0.00 57.45 53.26 1f68 n PHE 771 Cb 0.61 -0.87 0.07 0.00 -0.94 0.00 0.00 39.48 38.35 1f68 n PHE 771 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1f68 s PRO 772 N -1.97 2.55 0.03 -1.08 0.04 -1.22 -5.00 135.00 128.35 1f68 s PRO 772 Ca 0.32 1.27 -0.27 0.00 0.04 0.00 0.00 61.00 62.35 1f68 s PRO 772 Cb 0.02 -1.93 0.09 0.00 0.04 0.00 0.00 34.50 32.73 1f68 s PRO 772 CO -0.06 -1.43 0.78 -1.50 0.04 0.00 0.00 177.00 174.82 1f68 s ILE 773 N -2.64 0.00 0.03 0.56 1.10 -1.26 -5.09 121.20 113.91 1f68 s ILE 773 Ca 0.64 0.00 -0.28 0.00 -0.51 0.00 0.00 60.65 60.50 1f68 s ILE 773 Cb -0.19 -1.00 0.09 0.00 0.15 0.00 0.00 42.46 41.52 1f68 s ILE 773 CO 0.49 0.00 0.93 1.51 -2.11 0.00 0.00 174.94 175.76 1f68 s ASP 774 N -2.30 -0.30 0.30 4.50 1.47 -1.26 -4.84 116.67 114.24 1f68 s ASP 774 Ca 0.01 -0.12 0.03 0.00 1.18 0.00 0.00 52.55 53.66 1f68 s ASP 774 Cb -0.01 0.40 0.47 0.00 -0.34 0.00 0.00 42.92 43.44 1f68 s ASP 774 CO -0.07 -0.68 1.76 -0.07 0.68 0.00 0.00 175.17 176.80 1f68 h LEU 775 N 2.00 0.48 -0.18 2.11 3.38 -0.93 0.14 115.31 122.30 1f68 h LEU 775 Ca -0.23 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.64 1f68 h LEU 775 Cb 1.24 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 1f68 h LEU 775 CO 0.29 0.68 -0.02 0.50 0.09 0.00 0.00 178.44 179.98 1f68 h LYS 776 N 0.44 0.04 -0.55 1.13 3.11 -1.75 0.21 116.57 119.20 1f68 h LYS 776 Ca 0.07 -0.00 0.01 0.00 -2.81 0.00 0.00 60.65 57.92 1f68 h LYS 776 Cb 0.58 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.77 1f68 h LYS 776 CO 0.04 0.02 0.37 1.15 -2.81 0.00 0.00 179.45 178.22 1f68 h THR 777 N 0.04 1.14 -0.98 1.00 2.02 -1.62 -0.84 112.91 113.68 1f68 h THR 777 Ca 0.09 -0.26 0.08 0.00 0.77 0.00 0.00 66.41 67.08 1f68 h THR 777 Cb 0.12 0.33 -0.07 0.00 -1.74 0.00 0.00 68.15 66.78 1f68 h THR 777 CO -0.16 0.14 0.62 0.24 0.37 0.00 0.00 175.52 176.73 1f68 h MET 778 N 0.75 1.07 -0.16 6.66 2.86 -0.22 0.17 114.93 126.05 1f68 h MET 778 Ca 0.20 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.79 1f68 h MET 778 Cb -0.09 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.32 1f68 h MET 778 CO -0.04 0.71 0.06 1.15 1.06 0.00 0.00 176.91 179.84 1f68 h THR 779 N 1.10 0.97 -0.58 2.22 2.02 0.35 0.13 112.91 119.12 1f68 h THR 779 Ca 0.44 -0.05 0.03 0.00 0.77 0.00 0.00 66.41 67.60 1f68 h THR 779 Cb 0.23 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 1f68 h THR 779 CO -0.19 0.03 0.35 -0.33 0.37 0.00 0.00 175.52 175.74 1f68 h GLU 780 N 0.14 0.66 -0.48 6.66 5.08 -0.26 0.62 114.58 127.00 1f68 h GLU 780 Ca 0.07 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1f68 h GLU 780 Cb 0.04 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1f68 h GLU 780 CO -0.07 0.43 0.31 0.00 -1.00 0.00 0.00 179.01 178.69 1f68 h ARG 781 N 0.68 0.62 0.08 2.33 2.47 -0.25 0.13 114.38 120.44 1f68 h ARG 781 Ca 0.24 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.92 1f68 h ARG 781 Cb 0.05 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.23 1f68 h ARG 781 CO -0.11 0.41 -0.04 1.25 0.56 0.00 0.00 179.97 182.04 1f68 h LEU 782 N 0.64 -0.09 -0.89 3.04 5.85 -0.40 0.67 115.31 124.12 1f68 h LEU 782 Ca 0.18 -0.06 0.15 0.00 0.84 0.00 0.00 57.88 58.99 1f68 h LEU 782 Cb -0.07 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 40.89 1f68 h LEU 782 CO -0.04 0.00 0.49 0.03 -0.34 0.00 0.00 178.44 178.58 1f68 h ARG 783 N -0.17 0.69 0.00 1.25 3.08 -0.56 0.11 114.38 118.78 1f68 h ARG 783 Ca -0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1f68 h ARG 783 Cb 0.14 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1f68 h ARG 783 CO 0.02 0.46 0.00 0.43 -1.07 0.00 0.00 179.97 179.80 1f68 n SER 784 N -4.81 0.00 -3.84 7.04 7.64 0.44 -4.90 113.62 115.19 1f68 n SER 784 Ca 0.18 -1.18 -0.29 0.00 1.01 0.00 0.00 58.87 58.59 1f68 n SER 784 Cb 0.43 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.67 1f68 n SER 784 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1f68 n ARG 785 N -0.89 -5.97 -0.16 1.43 0.63 0.37 -4.89 116.66 107.19 1f68 n ARG 785 Ca 0.18 0.64 -0.10 0.00 -0.92 0.00 0.00 57.85 57.66 1f68 n ARG 785 Cb 0.08 -5.57 -0.00 0.00 0.45 0.00 0.00 32.46 27.42 1f68 n ARG 785 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 1f68 h TYR 786 N -2.18 0.86 0.00 -0.14 3.20 -1.12 -3.34 116.97 114.24 1f68 h TYR 786 Ca -0.58 -0.14 -0.59 0.00 3.14 0.00 0.00 58.73 60.57 1f68 h TYR 786 Cb 1.37 -0.23 0.02 0.00 1.54 0.00 0.00 36.73 39.43 1f68 h TYR 786 CO 0.56 0.82 2.85 0.66 -1.64 0.00 0.00 178.16 181.41 1f68 n TYR 787 N -4.40 2.19 -0.03 -3.82 4.01 -1.26 -4.64 117.16 109.21 1f68 n TYR 787 Ca 0.00 -2.34 0.02 0.00 -0.16 0.00 0.00 57.90 55.43 1f68 n TYR 787 Cb 0.28 -2.02 0.37 0.00 -0.31 0.00 0.00 39.34 37.66 1f68 n TYR 787 CO 0.00 0.00 0.00 -0.39 -0.46 0.00 0.00 176.86 176.01 1f68 h VAL 788 N 3.81 1.14 -4.20 -0.72 -1.51 -1.97 -3.42 116.25 109.38 1f68 h VAL 788 Ca 0.55 -0.36 -0.54 0.00 -1.23 0.00 0.00 66.70 65.13 1f68 h VAL 788 Cb 0.45 0.55 -0.27 0.00 -2.13 0.00 0.00 31.29 29.88 1f68 h VAL 788 CO 1.77 0.15 -0.83 0.42 -1.23 0.00 0.00 177.57 177.85 1f68 s THR 789 N -5.42 1.44 0.42 7.19 -4.23 -1.26 -5.03 115.64 108.75 1f68 s THR 789 Ca -0.08 -0.98 0.16 0.00 -1.18 0.00 0.00 61.69 59.60 1f68 s THR 789 Cb 0.17 -1.24 0.36 0.00 1.34 0.00 0.00 72.50 73.13 1f68 s THR 789 CO 0.75 0.24 1.89 -0.09 -0.54 0.00 0.00 174.62 176.86 1f68 h ARG 790 N 5.21 0.42 -0.96 3.99 2.43 -1.99 -1.31 114.38 122.17 1f68 h ARG 790 Ca -0.39 -0.03 0.27 0.00 -0.81 0.00 0.00 59.98 59.02 1f68 h ARG 790 Cb 1.16 -0.09 -0.14 0.00 -0.42 0.00 0.00 29.97 30.48 1f68 h ARG 790 CO 0.46 0.28 0.49 -0.22 -1.51 0.00 0.00 179.97 179.46 1f68 h LYS 791 N 0.43 0.38 -0.50 0.20 1.63 -1.96 0.37 116.57 117.12 1f68 h LYS 791 Ca 0.42 -0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 60.10 1f68 h LYS 791 Cb 0.98 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.50 1f68 h LYS 791 CO -0.15 0.25 -0.06 -0.07 -3.45 0.00 0.00 179.45 175.98 1f68 h LEU 792 N 0.39 0.86 -0.13 5.20 3.38 -1.63 0.11 115.31 123.49 1f68 h LEU 792 Ca 0.65 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.36 1f68 h LEU 792 Cb 1.34 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1f68 h LEU 792 CO -0.56 0.96 0.05 0.15 0.09 0.00 0.00 178.44 179.13 1f68 h PHE 793 N 0.80 0.20 -0.18 1.13 3.04 -0.49 -0.33 116.94 121.12 1f68 h PHE 793 Ca 0.14 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.12 1f68 h PHE 793 Cb 0.56 -0.06 -0.05 0.00 2.56 0.00 0.00 35.95 38.96 1f68 h PHE 793 CO 0.03 0.28 -0.15 0.28 -2.02 0.00 0.00 178.31 176.73 1f68 h VAL 794 N 0.06 0.58 -0.04 1.41 2.07 -0.52 0.15 116.25 119.98 1f68 h VAL 794 Ca 0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.60 1f68 h VAL 794 Cb 0.16 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 1f68 h VAL 794 CO -0.00 0.00 -0.36 0.00 0.02 0.00 0.00 177.57 177.23 1f68 h ALA 795 N 0.95 -0.51 -0.43 1.67 0.00 -0.63 0.44 119.26 120.75 1f68 h ALA 795 Ca 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1f68 h ALA 795 Cb 0.33 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1f68 h ALA 795 CO -0.28 -0.87 0.25 -0.44 0.00 0.00 0.00 179.25 177.92 1f68 h ASP 796 N -0.49 0.51 -0.13 0.00 5.19 -0.66 0.31 116.42 121.16 1f68 h ASP 796 Ca 0.07 -0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1f68 h ASP 796 Cb 0.59 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 1f68 h ASP 796 CO -0.31 0.42 0.07 0.25 -3.12 0.00 0.00 179.24 176.55 1f68 h LEU 797 N 0.56 0.16 -1.49 1.55 7.12 -0.47 0.12 115.31 122.87 1f68 h LEU 797 Ca 0.15 -0.09 -0.02 0.00 0.13 0.00 0.00 57.88 58.06 1f68 h LEU 797 Cb 0.00 -0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 40.08 1f68 h LEU 797 CO -0.03 0.20 0.13 1.56 -0.13 0.00 0.00 178.44 180.18 1f68 h GLN 798 N 0.11 0.47 -0.40 1.25 4.20 -0.73 -1.58 115.11 118.44 1f68 h GLN 798 Ca 0.04 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1f68 h GLN 798 Cb 0.08 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1f68 h GLN 798 CO -0.01 0.40 0.22 -0.09 -0.67 0.00 0.00 178.83 178.68 1f68 h ARG 799 N 0.47 0.55 -0.05 1.46 2.43 0.64 0.20 114.38 120.09 1f68 h ARG 799 Ca 0.12 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.26 1f68 h ARG 799 Cb 0.10 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.49 1f68 h ARG 799 CO -0.01 0.45 -0.29 0.28 -1.51 0.00 0.00 179.97 178.89 1f68 h VAL 800 N 0.51 0.34 0.10 0.20 2.07 -0.11 0.19 116.25 119.55 1f68 h VAL 800 Ca 0.14 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.67 1f68 h VAL 800 Cb 0.06 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1f68 h VAL 800 CO -0.02 0.00 -0.17 0.40 0.02 0.00 0.00 177.57 177.80 1f68 h ILE 801 N -0.41 0.60 0.38 4.57 2.04 -0.97 0.74 117.51 124.46 1f68 h ILE 801 Ca 0.07 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 1f68 h ILE 801 Cb 0.52 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1f68 h ILE 801 CO -0.28 0.00 -0.31 0.00 0.00 0.00 0.00 178.15 177.56 1f68 h ALA 802 N 0.51 -0.70 -0.47 1.87 0.00 -0.47 -0.46 119.26 119.54 1f68 h ALA 802 Ca 0.03 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.91 1f68 h ALA 802 Cb 0.35 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 18.47 1f68 h ALA 802 CO -0.10 -0.92 -0.11 -0.91 0.00 0.00 0.00 179.25 177.21 1f68 h ASN 803 N -0.69 -0.43 -0.09 0.00 4.21 -0.49 0.24 115.58 118.33 1f68 h ASN 803 Ca -0.03 0.14 0.04 0.00 1.21 0.00 0.00 56.30 57.66 1f68 h ASN 803 Cb 0.60 0.29 -0.05 0.00 -1.12 0.00 0.00 38.32 38.04 1f68 h ASN 803 CO -0.02 -0.15 -0.25 0.00 -1.29 0.00 0.00 177.43 175.72 1f68 h ARG 805 N -0.33 0.90 -0.10 0.00 3.08 0.07 0.17 114.38 118.17 1f68 h ARG 805 Ca 0.09 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1f68 h ARG 805 Cb 0.46 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 1f68 h ARG 805 CO -0.28 0.71 0.04 0.93 -1.07 0.00 0.00 179.97 180.30 1f68 h GLU 806 N 0.89 0.15 0.06 0.04 5.08 -0.19 -3.35 114.58 117.25 1f68 h GLU 806 Ca 0.22 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1f68 h GLU 806 Cb 0.13 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.37 1f68 h GLU 806 CO -0.02 0.28 -0.40 -0.92 -1.00 0.00 0.00 179.01 176.94 1f68 h TYR 807 N -0.01 0.30 -2.86 4.33 3.20 -0.69 -3.46 116.97 117.77 1f68 h TYR 807 Ca 0.03 -0.20 -0.64 0.00 3.14 0.00 0.00 58.73 61.07 1f68 h TYR 807 Cb 0.19 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.37 1f68 h TYR 807 CO -0.01 1.12 -0.34 -0.80 -1.64 0.00 0.00 178.16 176.49 1f68 s ASN 808 N -6.56 6.59 0.42 -2.11 0.01 0.56 -5.06 114.94 108.79 1f68 s ASN 808 Ca -0.16 0.70 -0.23 0.00 -0.71 0.00 0.00 52.86 52.46 1f68 s ASN 808 Cb -0.00 -2.16 -0.12 0.00 0.41 0.00 0.00 41.25 39.38 1f68 s ASN 808 CO 0.76 0.35 0.77 -2.65 -1.51 0.00 0.00 177.10 174.82 1f68 n PRO 809 N 2.02 0.90 -0.01 -0.60 -0.02 -1.26 -4.59 135.00 131.44 1f68 n PRO 809 Ca -0.17 0.33 0.09 0.00 -2.02 0.00 0.00 63.50 61.73 1f68 n PRO 809 Cb 0.54 -1.75 0.50 0.00 -0.02 0.00 0.00 33.50 32.77 1f68 n PRO 809 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1f68 h PRO 810 N 1.12 0.38 0.00 0.52 0.13 -1.96 0.11 132.00 132.31 1f68 h PRO 810 Ca -0.42 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1f68 h PRO 810 Cb 1.37 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1f68 h PRO 810 CO 0.54 0.25 0.00 -3.47 -0.23 0.00 0.00 178.00 175.09 1f68 n ASP 811 N -4.48 0.00 -4.76 1.44 2.03 -1.26 -4.33 116.55 105.19 1f68 n ASP 811 Ca 0.06 -0.35 -0.34 0.00 0.52 0.00 0.00 54.79 54.68 1f68 n ASP 811 Cb 0.24 -0.21 0.04 0.00 -0.72 0.00 0.00 41.12 40.47 1f68 n ASP 811 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1f68 s SER 812 N -2.43 5.08 0.24 1.67 1.04 0.02 -4.78 113.70 114.55 1f68 s SER 812 Ca 0.33 2.19 -0.05 0.00 0.48 0.00 0.00 55.95 58.90 1f68 s SER 812 Cb 0.20 -2.57 0.45 0.00 0.10 0.00 0.00 66.02 64.20 1f68 s SER 812 CO 0.43 -1.66 1.71 -0.33 0.98 0.00 0.00 173.24 174.37 1f68 h GLU 813 N 0.40 0.33 -0.34 4.02 3.07 -1.91 0.80 114.58 120.95 1f68 h GLU 813 Ca -0.48 -0.02 0.06 0.00 -0.50 0.00 0.00 59.36 58.41 1f68 h GLU 813 Cb 1.27 -0.07 -0.08 0.00 -0.84 0.00 0.00 28.75 29.02 1f68 h GLU 813 CO 0.54 0.22 -0.48 1.88 -1.40 0.00 0.00 179.01 179.77 1f68 h TYR 814 N 0.34 -1.43 -0.55 4.33 -1.99 -1.92 0.12 116.97 115.88 1f68 h TYR 814 Ca 0.41 0.07 -0.11 0.00 2.00 0.00 0.00 58.73 61.09 1f68 h TYR 814 Cb 0.66 0.67 -0.02 0.00 2.00 0.00 0.00 36.73 40.04 1f68 h TYR 814 CO -0.22 -0.48 -0.10 0.00 -0.00 0.00 0.00 178.16 177.36 1f68 h ARG 816 N 0.92 0.06 -0.80 0.00 -0.00 -0.80 0.23 114.38 113.97 1f68 h ARG 816 Ca 0.14 -0.00 0.01 0.00 -0.50 0.00 0.00 59.98 59.63 1f68 h ARG 816 Cb 0.67 -0.01 -0.04 0.00 0.00 0.00 0.00 29.97 30.59 1f68 h ARG 816 CO 0.05 0.04 0.53 0.00 0.00 0.00 0.00 179.97 180.58 1f68 h ALA 818 N 1.30 1.10 -0.16 0.00 0.00 -0.05 0.19 119.26 121.64 1f68 h ALA 818 Ca 0.30 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1f68 h ALA 818 Cb -0.10 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.33 1f68 h ALA 818 CO -0.07 0.51 -0.02 0.77 0.00 0.00 0.00 179.25 180.43 1f68 h SER 819 N 1.18 0.30 -0.29 0.00 0.02 -0.19 0.19 113.55 114.76 1f68 h SER 819 Ca 0.32 -0.34 0.05 0.00 -0.84 0.00 0.00 61.79 60.98 1f68 h SER 819 Cb -0.14 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.27 1f68 h SER 819 CO -0.07 0.57 -0.03 0.00 -1.14 0.00 0.00 176.83 176.16 1f68 h ALA 820 N 0.74 0.23 -0.33 3.77 0.00 -0.53 -0.69 119.26 122.44 1f68 h ALA 820 Ca 0.04 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1f68 h ALA 820 Cb 0.43 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1f68 h ALA 820 CO 0.01 -0.44 -0.05 1.25 0.00 0.00 0.00 179.25 180.02 1f68 h LEU 821 N 0.04 -0.24 0.10 0.00 5.85 -0.52 0.84 115.31 121.39 1f68 h LEU 821 Ca 0.14 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.97 1f68 h LEU 821 Cb 0.20 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 1f68 h LEU 821 CO -0.27 -0.08 -0.40 -0.08 -0.34 0.00 0.00 178.44 177.27 1f68 h GLU 822 N 0.03 -0.60 -0.39 1.25 4.81 0.05 0.23 114.58 119.96 1f68 h GLU 822 Ca 0.16 0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 1f68 h GLU 822 Cb 0.23 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1f68 h GLU 822 CO -0.31 -0.40 0.06 0.87 -0.73 0.00 0.00 179.01 178.49 1f68 h LYS 823 N -0.63 0.65 -0.20 1.92 1.79 -0.84 0.67 116.57 119.92 1f68 h LYS 823 Ca 0.03 -0.18 0.05 0.00 -2.18 0.00 0.00 60.65 58.37 1f68 h LYS 823 Cb 0.66 -0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 31.19 1f68 h LYS 823 CO -0.24 0.70 -0.12 0.35 -1.08 0.00 0.00 179.45 179.06 1f68 h PHE 824 N 0.49 -0.30 0.26 -1.35 3.04 -0.70 0.13 116.94 118.51 1f68 h PHE 824 Ca 0.12 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.08 1f68 h PHE 824 Cb 0.38 0.16 -0.00 0.00 2.56 0.00 0.00 35.95 39.05 1f68 h PHE 824 CO 0.03 -0.18 -0.16 0.35 -2.02 0.00 0.00 178.31 176.33 1f68 h PHE 825 N -0.11 -0.40 -0.60 0.41 3.57 -0.28 0.13 116.94 119.66 1f68 h PHE 825 Ca 0.11 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.69 1f68 h PHE 825 Cb 0.28 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.10 1f68 h PHE 825 CO -0.28 -0.25 0.26 1.88 -2.23 0.00 0.00 178.31 177.70 1f68 h TYR 826 N -0.40 0.47 -0.16 0.41 0.05 -0.67 0.11 116.97 116.78 1f68 h TYR 826 Ca -0.03 0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.82 1f68 h TYR 826 Cb 0.33 -0.12 -0.05 0.00 1.01 0.00 0.00 36.73 37.90 1f68 h TYR 826 CO -0.08 0.17 -0.14 0.35 -1.05 0.00 0.00 178.16 177.40 1f68 h PHE 827 N 0.48 -0.36 -0.38 4.88 3.57 -0.38 0.74 116.94 125.49 1f68 h PHE 827 Ca 0.29 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.89 1f68 h PHE 827 Cb 0.29 0.19 -0.07 0.00 2.79 0.00 0.00 35.95 39.15 1f68 h PHE 827 CO -0.13 -0.21 -0.11 0.87 -2.23 0.00 0.00 178.31 176.50 1f68 h LYS 828 N -0.16 -0.01 -0.75 1.11 6.56 0.12 0.16 116.57 123.60 1f68 h LYS 828 Ca 0.10 0.00 0.10 0.00 -1.06 0.00 0.00 60.65 59.79 1f68 h LYS 828 Cb 0.31 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 31.90 1f68 h LYS 828 CO -0.26 -0.01 0.39 -0.07 -2.06 0.00 0.00 179.45 177.44 1f68 h LEU 829 N -0.02 0.51 -0.51 2.94 3.38 -0.14 0.49 115.31 121.97 1f68 h LEU 829 Ca 0.18 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.16 1f68 h LEU 829 Cb 0.29 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1f68 h LEU 829 CO -0.40 0.29 0.09 0.11 0.09 0.00 0.00 178.44 178.62 1f68 h LYS 830 N 0.65 0.84 -0.32 1.13 1.79 0.08 -3.04 116.57 117.70 1f68 h LYS 830 Ca 0.37 -0.22 0.02 0.00 -2.18 0.00 0.00 60.65 58.64 1f68 h LYS 830 Cb 0.39 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.92 1f68 h LYS 830 CO -0.27 0.82 0.17 0.93 -1.08 0.00 0.00 179.45 180.03 1f68 h GLU 831 N 0.72 0.35 0.00 3.15 5.08 0.17 -3.51 114.58 120.55 1f68 h GLU 831 Ca 0.16 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1f68 h GLU 831 Cb 0.38 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1f68 h GLU 831 CO 0.01 0.23 0.00 0.41 -1.00 0.00 0.00 179.01 178.66