#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f68 h ASP 731 N 0.00 0.00 0.05 1.61 3.58 -2.02 0.11 116.42 119.75 1f68 h ASP 731 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1f68 h ASP 731 Cb 0.00 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 1f68 h ASP 731 CO 0.00 0.00 -0.04 1.56 -2.88 0.00 0.00 179.24 177.88 1f68 h GLN 732 N 0.00 -0.09 -0.46 0.28 7.50 -2.05 0.18 115.11 120.48 1f68 h GLN 732 Ca -0.00 0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.14 1f68 h GLN 732 Cb 0.18 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.71 1f68 h GLN 732 CO 0.00 -0.06 0.24 1.25 -1.50 0.00 0.00 178.83 178.75 1f68 h LEU 733 N -0.10 0.58 -0.35 1.46 5.85 -1.26 0.04 115.31 121.54 1f68 h LEU 733 Ca 0.00 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.68 1f68 h LEU 733 Cb 0.09 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 1f68 h LEU 733 CO -0.01 0.53 -0.07 0.22 -0.34 0.00 0.00 178.44 178.77 1f68 h TYR 734 N 0.60 -0.15 -0.59 1.25 3.20 -1.01 0.12 116.97 120.40 1f68 h TYR 734 Ca 0.16 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.08 1f68 h TYR 734 Cb 0.09 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 1f68 h TYR 734 CO -0.01 -0.13 0.37 1.15 -1.64 0.00 0.00 178.16 177.89 1f68 h THR 735 N 0.02 1.11 -0.05 1.81 2.02 -0.29 0.16 112.91 117.69 1f68 h THR 735 Ca 0.17 -0.26 0.02 0.00 0.77 0.00 0.00 66.41 67.11 1f68 h THR 735 Cb 0.25 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 1f68 h THR 735 CO -0.34 0.14 -0.07 0.74 0.37 0.00 0.00 175.52 176.35 1f68 h THR 736 N 0.75 0.79 -0.71 3.16 2.02 -0.10 0.11 112.91 118.94 1f68 h THR 736 Ca 0.23 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.44 1f68 h THR 736 Cb -0.03 0.79 -0.05 0.00 -1.74 0.00 0.00 68.15 67.13 1f68 h THR 736 CO -0.07 0.00 0.44 -0.07 0.37 0.00 0.00 175.52 176.18 1f68 h LEU 737 N -0.11 0.71 -0.57 2.58 3.38 -0.41 0.13 115.31 121.01 1f68 h LEU 737 Ca 0.05 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1f68 h LEU 737 Cb 0.17 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1f68 h LEU 737 CO -0.11 0.48 0.31 0.50 0.09 0.00 0.00 178.44 179.71 1f68 h LYS 738 N 0.84 0.81 -0.52 1.13 3.64 -0.24 0.11 116.57 122.33 1f68 h LYS 738 Ca 0.29 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1f68 h LYS 738 Cb 0.05 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1f68 h LYS 738 CO -0.12 0.62 0.18 -0.91 -2.27 0.00 0.00 179.45 176.95 1f68 h ASN 739 N 0.78 0.75 0.22 4.20 2.35 -0.19 0.18 115.58 123.87 1f68 h ASN 739 Ca 0.20 -0.20 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1f68 h ASN 739 Cb 0.06 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1f68 h ASN 739 CO -0.03 0.75 -0.25 0.25 -1.65 0.00 0.00 177.43 176.49 1f68 h LEU 740 N 0.71 -0.68 -0.37 1.61 5.85 -0.39 -0.28 115.31 121.76 1f68 h LEU 740 Ca 0.17 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.99 1f68 h LEU 740 Cb 0.25 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 1f68 h LEU 740 CO -0.01 -0.36 0.15 0.25 -0.34 0.00 0.00 178.44 178.13 1f68 h LEU 741 N -0.52 0.18 -0.05 2.25 5.85 -0.68 -0.39 115.31 121.95 1f68 h LEU 741 Ca 0.00 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1f68 h LEU 741 Cb 0.49 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 1f68 h LEU 741 CO -0.07 0.14 -0.14 0.00 -0.34 0.00 0.00 178.44 178.03 1f68 h ALA 742 N 1.22 -0.12 -0.25 1.25 0.00 -0.43 0.14 119.26 121.07 1f68 h ALA 742 Ca 0.16 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1f68 h ALA 742 Cb 0.12 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1f68 h ALA 742 CO -0.15 -0.62 0.04 1.96 0.00 0.00 0.00 179.25 180.49 1f68 h GLN 743 N -0.21 0.13 -0.17 0.00 4.20 -0.77 0.17 115.11 118.47 1f68 h GLN 743 Ca 0.07 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.82 1f68 h GLN 743 Cb 0.30 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.99 1f68 h GLN 743 CO -0.18 0.09 -0.26 0.82 -0.67 0.00 0.00 178.83 178.63 1f68 h ILE 744 N 0.14 0.38 -0.72 2.54 2.04 -0.59 0.69 117.51 121.99 1f68 h ILE 744 Ca 0.12 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.91 1f68 h ILE 744 Cb 0.12 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 1f68 h ILE 744 CO -0.16 0.00 0.20 0.11 0.00 0.00 0.00 178.15 178.30 1f68 h LYS 745 N -0.31 1.14 -0.44 2.37 1.57 -0.38 -3.02 116.57 117.50 1f68 h LYS 745 Ca 0.11 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1f68 h LYS 745 Cb 0.48 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1f68 h LYS 745 CO -0.34 0.98 0.20 0.77 -0.57 0.00 0.00 179.45 180.49 1f68 h SER 746 N 1.08 0.59 -1.14 0.86 0.02 -0.19 -3.42 113.55 111.35 1f68 h SER 746 Ca 0.23 -0.15 -0.62 0.00 -0.84 0.00 0.00 61.79 60.42 1f68 h SER 746 Cb 0.34 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1f68 h SER 746 CO -0.00 0.57 1.49 1.57 -1.14 0.00 0.00 176.83 179.32 1f68 n HIS 747 N -4.64 1.51 -0.29 3.45 -0.00 0.19 -4.84 115.22 110.60 1f68 n HIS 747 Ca 0.01 0.23 0.09 0.00 -0.00 0.00 0.00 57.72 58.05 1f68 n HIS 747 Cb 0.13 -2.55 0.22 0.00 -0.00 0.00 0.00 29.99 27.79 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 13.63 0.10 -0.64 1.57 0.11 -1.86 -0.13 132.00 144.78 1f68 h PRO 748 Ca -0.26 -0.01 0.18 0.00 0.11 0.00 0.00 66.00 66.03 1f68 h PRO 748 Cb 1.31 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 1f68 h PRO 748 CO 1.07 0.06 0.65 0.77 -0.21 0.00 0.00 178.00 180.34 1f68 h SER 749 N 0.10 0.00 0.24 -2.05 0.02 -1.92 -0.01 113.55 109.93 1f68 h SER 749 Ca 0.50 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.44 1f68 h SER 749 Cb 0.95 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.49 1f68 h SER 749 CO -0.74 0.00 -0.01 0.00 -1.14 0.00 0.00 176.83 174.94 1f68 h ALA 750 N 1.31 1.06 -0.92 3.77 0.00 -1.25 -3.37 119.26 119.86 1f68 h ALA 750 Ca 0.30 -0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.43 1f68 h ALA 750 Cb 1.59 -0.00 -0.17 0.00 0.00 0.00 0.00 17.79 19.21 1f68 h ALA 750 CO -0.00 0.01 -0.06 0.11 0.00 0.00 0.00 179.25 179.31 1f68 h TRP 751 N 0.00 -0.20 -0.72 0.00 5.08 -1.19 -1.40 115.95 117.52 1f68 h TRP 751 Ca -0.00 0.07 0.04 0.00 1.08 0.00 0.00 58.89 60.08 1f68 h TRP 751 Cb 0.13 0.23 -0.05 0.00 -3.00 0.00 0.00 29.16 26.48 1f68 h TRP 751 CO 0.00 -0.38 0.44 -1.35 -1.28 0.00 0.00 178.44 175.87 1f68 h PRO 752 N 0.03 0.82 0.00 0.12 0.11 -1.86 -1.82 132.00 129.40 1f68 h PRO 752 Ca 0.51 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1f68 h PRO 752 Cb 0.94 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1f68 h PRO 752 CO -0.88 0.54 0.00 1.19 -0.21 0.00 0.00 178.00 178.64 1f68 n PHE 753 N -4.68 0.00 0.79 0.65 3.72 -0.53 -1.37 117.46 116.03 1f68 n PHE 753 Ca 0.08 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.61 1f68 n PHE 753 Cb 0.12 -0.09 0.35 0.00 -0.94 0.00 0.00 39.48 38.92 1f68 n PHE 753 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 1f68 n MET 754 N -1.09 0.14 -2.62 -1.08 2.81 -0.68 -0.60 117.12 113.99 1f68 n MET 754 Ca 0.20 0.07 -0.43 0.00 -1.81 0.00 0.00 57.70 55.74 1f68 n MET 754 Cb 0.15 -1.62 -0.02 0.00 -0.71 0.00 0.00 33.22 31.02 1f68 n MET 754 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1f68 s GLU 755 N -3.07 4.13 -0.46 0.03 2.02 -0.47 -4.46 118.70 116.42 1f68 s GLU 755 Ca 0.10 1.21 -0.28 0.00 0.02 0.00 0.00 54.97 56.02 1f68 s GLU 755 Cb 0.16 -3.71 0.01 0.00 0.10 0.00 0.00 34.13 30.68 1f68 s GLU 755 CO 0.64 -0.81 1.44 -1.25 0.02 0.00 0.00 175.26 175.29 1f68 s PRO 756 N 3.53 3.47 -0.80 0.39 0.04 -1.26 -4.93 135.00 135.43 1f68 s PRO 756 Ca 0.46 0.81 -0.25 0.00 0.04 0.00 0.00 61.00 62.06 1f68 s PRO 756 Cb -0.14 -4.07 -0.02 0.00 0.04 0.00 0.00 34.50 30.31 1f68 s PRO 756 CO 0.13 -1.71 1.80 0.08 0.04 0.00 0.00 177.00 177.34 1f68 s VAL 757 N 5.75 3.50 0.49 -0.36 1.01 -1.26 -4.96 120.40 124.56 1f68 s VAL 757 Ca 0.60 -0.16 -0.18 0.00 0.00 0.00 0.00 61.98 62.24 1f68 s VAL 757 Cb -0.13 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 31.98 1f68 s VAL 757 CO 0.30 -1.13 0.98 -0.54 0.00 0.00 0.00 175.10 174.71 1f68 s LYS 758 N 6.67 4.01 0.24 2.72 1.02 -1.26 -4.86 119.74 128.28 1f68 s LYS 758 Ca 0.63 1.02 -0.06 0.00 0.02 0.00 0.00 55.97 57.58 1f68 s LYS 758 Cb -0.08 -2.14 0.42 0.00 -0.52 0.00 0.00 37.83 35.51 1f68 s LYS 758 CO 0.07 -0.22 1.68 0.87 -0.92 0.00 0.00 175.35 176.82 1f68 h LYS 759 N 1.22 0.23 0.00 1.68 1.57 -1.93 0.69 116.57 120.03 1f68 h LYS 759 Ca -0.48 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.28 1f68 h LYS 759 Cb 1.19 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 1f68 h LYS 759 CO 0.61 0.15 -0.08 0.66 -0.57 0.00 0.00 179.45 180.22 1f68 h SER 760 N 0.23 0.00 0.00 0.86 4.64 -1.99 -2.34 113.55 114.96 1f68 h SER 760 Ca 0.39 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.56 1f68 h SER 760 Cb 0.67 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.73 1f68 h SER 760 CO -0.52 0.08 -0.84 -0.33 -0.87 0.00 0.00 176.83 174.35 1f68 h GLU 761 N 0.00 0.00 -2.12 4.77 5.08 -1.32 -3.45 114.58 117.54 1f68 h GLU 761 Ca -0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 1f68 h GLU 761 Cb 0.16 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 29.07 1f68 h GLU 761 CO 0.01 0.95 -0.88 0.00 -1.00 0.00 0.00 179.01 178.08 1f68 s ALA 762 N -2.34 0.71 0.26 3.43 0.00 -0.14 -5.00 121.76 118.70 1f68 s ALA 762 Ca -0.25 -2.04 -0.02 0.00 0.00 0.00 0.00 51.96 49.65 1f68 s ALA 762 Cb 0.03 -1.80 0.56 0.00 0.00 0.00 0.00 23.12 21.91 1f68 s ALA 762 CO 0.60 -2.03 1.67 -1.35 0.00 0.00 0.00 175.76 174.65 1f68 h PRO 763 N 5.60 0.26 -1.14 0.00 0.11 -1.63 0.07 132.00 135.26 1f68 h PRO 763 Ca 0.22 -0.02 0.32 0.00 0.11 0.00 0.00 66.00 66.64 1f68 h PRO 763 Cb 0.95 -0.06 -0.09 0.00 0.11 0.00 0.00 31.00 31.91 1f68 h PRO 763 CO 0.30 0.17 0.75 0.38 -0.21 0.00 0.00 178.00 179.39 1f68 h ASP 764 N 0.26 0.32 -0.75 -2.05 2.03 -1.94 0.19 116.42 114.48 1f68 h ASP 764 Ca 0.47 0.08 0.13 0.00 -0.73 0.00 0.00 57.03 56.98 1f68 h ASP 764 Cb 0.86 0.04 -0.09 0.00 -0.83 0.00 0.00 39.33 39.31 1f68 h ASP 764 CO -0.56 0.01 0.34 0.22 -1.03 0.00 0.00 179.24 178.21 1f68 h TYR 765 N 0.26 0.59 0.00 4.15 3.20 -1.37 0.48 116.97 124.28 1f68 h TYR 765 Ca 0.65 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.55 1f68 h TYR 765 Cb 1.90 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 40.03 1f68 h TYR 765 CO -0.00 0.13 0.00 0.66 -1.64 0.00 0.00 178.16 177.31 1f68 n TYR 766 N -4.94 0.00 -0.08 -3.82 4.02 0.63 -0.02 117.16 112.95 1f68 n TYR 766 Ca 0.14 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.87 1f68 n TYR 766 Cb 0.37 -0.44 -0.10 0.00 -0.02 0.00 0.00 39.34 39.15 1f68 n TYR 766 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1f68 h GLU 767 N 0.00 0.00 0.01 -0.72 5.08 -0.88 -3.43 114.58 114.64 1f68 h GLU 767 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1f68 h GLU 767 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1f68 h GLU 767 CO 0.00 0.84 -0.01 0.28 -1.00 0.00 0.00 179.01 179.13 1f68 h VAL 768 N -1.00 0.54 -1.22 3.13 2.07 -0.92 -3.40 116.25 115.46 1f68 h VAL 768 Ca -0.16 -1.39 -0.68 0.00 0.82 0.00 0.00 66.70 65.29 1f68 h VAL 768 Cb 1.03 1.02 -0.11 0.00 -1.52 0.00 0.00 31.29 31.71 1f68 h VAL 768 CO -0.10 0.18 1.86 -0.63 0.02 0.00 0.00 177.57 178.91 1f68 s ILE 769 N -1.82 4.28 0.54 4.57 -1.09 0.97 -4.82 121.20 123.83 1f68 s ILE 769 Ca -0.06 -1.83 0.35 0.00 -2.23 0.00 0.00 60.65 56.88 1f68 s ILE 769 Cb -0.01 -5.10 0.53 0.00 -1.58 0.00 0.00 42.46 36.30 1f68 s ILE 769 CO 0.22 -1.91 1.82 0.03 -1.23 0.00 0.00 174.94 173.86 1f68 h ARG 770 N 7.95 0.00 -3.18 2.79 2.47 -1.80 -3.02 114.38 119.59 1f68 h ARG 770 Ca 0.37 0.00 -0.72 0.00 -1.26 0.00 0.00 59.98 58.36 1f68 h ARG 770 Cb 0.90 0.00 -0.34 0.00 -1.65 0.00 0.00 29.97 28.88 1f68 h ARG 770 CO 1.40 0.00 0.07 1.19 0.56 0.00 0.00 179.97 183.19 1f68 n PHE 771 N -4.17 4.06 -1.95 3.04 3.72 -1.26 -5.04 117.46 115.86 1f68 n PHE 771 Ca 0.23 -3.88 -0.36 0.00 -0.05 0.00 0.00 57.45 53.39 1f68 n PHE 771 Cb 1.17 -1.19 -0.03 0.00 -0.94 0.00 0.00 39.48 38.48 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 -1.69 2.50 -0.10 -1.08 0.04 -1.14 -4.90 135.00 128.63 1f68 s PRO 772 Ca 0.30 0.60 -0.07 0.00 0.04 0.00 0.00 61.00 61.88 1f68 s PRO 772 Cb -0.03 -4.52 0.04 0.00 0.04 0.00 0.00 34.50 30.02 1f68 s PRO 772 CO -0.08 -2.96 0.24 -1.50 0.04 0.00 0.00 177.00 172.75 1f68 s ILE 773 N 9.87 -0.02 0.36 0.56 -1.16 -1.26 -5.07 121.20 124.48 1f68 s ILE 773 Ca 0.73 0.08 0.07 0.00 -0.51 0.00 0.00 60.65 61.01 1f68 s ILE 773 Cb -0.12 -0.36 -0.03 0.00 0.61 0.00 0.00 42.46 42.56 1f68 s ILE 773 CO 0.18 0.03 0.24 1.51 -2.81 0.00 0.00 174.94 174.10 1f68 s ASP 774 N 0.72 2.06 0.39 4.50 1.47 -1.26 -4.61 116.67 119.94 1f68 s ASP 774 Ca -0.05 -1.76 0.10 0.00 1.18 0.00 0.00 52.55 52.02 1f68 s ASP 774 Cb -0.06 0.57 0.81 0.00 -0.34 0.00 0.00 42.92 43.90 1f68 s ASP 774 CO -0.04 -1.05 1.92 -0.07 0.68 0.00 0.00 175.17 176.61 1f68 h LEU 775 N 2.01 0.19 -0.38 2.11 3.38 -1.19 0.82 115.31 122.25 1f68 h LEU 775 Ca -0.27 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.68 1f68 h LEU 775 Cb 1.24 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 1f68 h LEU 775 CO 0.41 0.35 0.22 0.50 0.09 0.00 0.00 178.44 180.01 1f68 h LYS 776 N 0.19 0.44 -0.42 1.13 3.64 -1.78 0.11 116.57 119.87 1f68 h LYS 776 Ca 0.04 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1f68 h LYS 776 Cb 0.37 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1f68 h LYS 776 CO 0.02 0.29 0.25 1.15 -2.27 0.00 0.00 179.45 178.89 1f68 h THR 777 N 0.45 1.04 -0.67 1.00 2.02 -1.39 0.42 112.91 115.78 1f68 h THR 777 Ca 0.15 -0.17 0.07 0.00 0.77 0.00 0.00 66.41 67.23 1f68 h THR 777 Cb 0.01 0.50 -0.06 0.00 -1.74 0.00 0.00 68.15 66.86 1f68 h THR 777 CO -0.08 0.09 0.35 0.24 0.37 0.00 0.00 175.52 176.50 1f68 h MET 778 N 0.50 0.62 0.09 6.66 2.86 -0.54 0.13 114.93 125.25 1f68 h MET 778 Ca 0.17 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.79 1f68 h MET 778 Cb 0.02 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 1f68 h MET 778 CO -0.08 0.41 -0.16 1.15 1.06 0.00 0.00 176.91 179.29 1f68 h THR 779 N 0.63 0.64 -0.39 2.22 2.02 0.20 0.12 112.91 118.36 1f68 h THR 779 Ca 0.31 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.56 1f68 h THR 779 Cb 0.26 0.64 -0.06 0.00 -1.74 0.00 0.00 68.15 67.24 1f68 h THR 779 CO -0.22 0.00 0.01 -0.33 0.37 0.00 0.00 175.52 175.36 1f68 h GLU 780 N -0.31 0.12 -0.52 6.66 5.08 -0.38 0.73 114.58 125.97 1f68 h GLU 780 Ca 0.02 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1f68 h GLU 780 Cb 0.33 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 1f68 h GLU 780 CO -0.09 0.08 0.25 0.00 -1.00 0.00 0.00 179.01 178.25 1f68 h ARG 781 N 0.12 0.48 -0.42 2.33 3.08 -0.42 0.11 114.38 119.66 1f68 h ARG 781 Ca 0.19 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.17 1f68 h ARG 781 Cb 0.27 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1f68 h ARG 781 CO -0.31 0.32 0.11 1.25 -1.07 0.00 0.00 179.97 180.27 1f68 h LEU 782 N 0.49 0.64 -1.36 3.04 5.85 0.04 0.66 115.31 124.66 1f68 h LEU 782 Ca 0.23 -0.23 0.08 0.00 0.84 0.00 0.00 57.88 58.80 1f68 h LEU 782 Cb 0.16 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 1f68 h LEU 782 CO -0.17 0.70 0.49 0.03 -0.34 0.00 0.00 178.44 179.15 1f68 h ARG 783 N 0.55 0.73 0.00 1.25 2.47 -0.43 0.12 114.38 119.07 1f68 h ARG 783 Ca 0.13 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 1f68 h ARG 783 Cb 0.30 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 1f68 h ARG 783 CO 0.00 0.48 0.00 0.43 0.56 0.00 0.00 179.97 181.44 1f68 n SER 784 N -4.49 0.00 -3.71 7.04 7.64 0.36 -4.90 113.62 115.56 1f68 n SER 784 Ca 0.12 -1.58 -0.28 0.00 1.01 0.00 0.00 58.87 58.13 1f68 n SER 784 Cb 0.26 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.47 1f68 n SER 784 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1f68 n ARG 785 N -0.69 -4.47 -0.20 1.43 1.74 0.43 -4.89 116.66 110.00 1f68 n ARG 785 Ca 0.09 0.55 -0.07 0.00 -0.77 0.00 0.00 57.85 57.66 1f68 n ARG 785 Cb 0.04 -5.37 0.03 0.00 -1.02 0.00 0.00 32.46 26.14 1f68 n ARG 785 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1f68 h TYR 786 N -1.59 0.79 0.00 -1.55 5.03 -1.12 -3.35 116.97 115.18 1f68 h TYR 786 Ca -0.53 -0.02 -0.58 0.00 2.58 0.00 0.00 58.73 60.18 1f68 h TYR 786 Cb 1.35 -0.25 0.02 0.00 1.55 0.00 0.00 36.73 39.40 1f68 h TYR 786 CO 0.61 0.57 3.42 0.66 -1.32 0.00 0.00 178.16 182.10 1f68 n TYR 787 N -4.60 2.11 -0.18 -3.82 4.01 -1.26 -4.62 117.16 108.80 1f68 n TYR 787 Ca 0.03 -2.71 0.01 0.00 -0.16 0.00 0.00 57.90 55.07 1f68 n TYR 787 Cb 0.08 -2.22 0.27 0.00 -0.31 0.00 0.00 39.34 37.16 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 3.20 1.18 -3.19 -0.72 -1.51 -1.99 -3.40 116.25 109.82 1f68 h VAL 788 Ca 0.74 -0.33 -0.64 0.00 -1.23 0.00 0.00 66.70 65.23 1f68 h VAL 788 Cb 0.26 0.15 -0.34 0.00 -2.13 0.00 0.00 31.29 29.23 1f68 h VAL 788 CO 1.69 0.18 -0.86 0.42 -1.23 0.00 0.00 177.57 177.77 1f68 s THR 789 N -5.79 1.85 0.48 7.19 -4.23 -1.26 -4.80 115.64 109.08 1f68 s THR 789 Ca -0.11 -0.84 0.30 0.00 -1.18 0.00 0.00 61.69 59.86 1f68 s THR 789 Cb 0.18 -1.66 0.49 0.00 1.34 0.00 0.00 72.50 72.85 1f68 s THR 789 CO 0.77 0.51 1.78 -0.09 -0.54 0.00 0.00 174.62 177.05 1f68 h ARG 790 N 7.50 0.14 -0.92 3.99 2.43 -1.99 0.51 114.38 126.05 1f68 h ARG 790 Ca -0.34 -0.01 0.26 0.00 -0.81 0.00 0.00 59.98 59.08 1f68 h ARG 790 Cb 1.17 -0.03 -0.15 0.00 -0.42 0.00 0.00 29.97 30.54 1f68 h ARG 790 CO 0.54 0.10 0.30 -0.22 -1.51 0.00 0.00 179.97 179.18 1f68 h LYS 791 N 0.15 0.20 -0.80 0.20 1.63 -1.95 0.32 116.57 116.31 1f68 h LYS 791 Ca 0.60 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.38 1f68 h LYS 791 Cb 2.04 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 33.58 1f68 h LYS 791 CO -0.14 0.13 0.48 -0.07 -3.45 0.00 0.00 179.45 176.40 1f68 h LEU 792 N 0.21 0.95 -0.02 5.20 3.38 -1.28 0.97 115.31 124.71 1f68 h LEU 792 Ca 0.61 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.52 1f68 h LEU 792 Cb 1.29 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1f68 h LEU 792 CO -0.67 0.73 -0.02 0.15 0.09 0.00 0.00 178.44 178.72 1f68 h PHE 793 N 1.10 0.06 -0.54 1.13 3.04 -0.60 0.67 116.94 121.80 1f68 h PHE 793 Ca 0.29 -0.02 0.08 0.00 3.98 0.00 0.00 57.97 62.30 1f68 h PHE 793 Cb -0.05 -0.01 -0.06 0.00 2.56 0.00 0.00 35.95 38.39 1f68 h PHE 793 CO 0.00 0.52 0.20 0.28 -2.02 0.00 0.00 178.31 177.29 1f68 h VAL 794 N -0.41 0.80 0.98 1.41 2.07 -0.76 0.12 116.25 120.46 1f68 h VAL 794 Ca 0.00 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 1f68 h VAL 794 Cb 0.51 0.39 0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1f68 h VAL 794 CO 0.01 0.07 -0.47 0.00 0.02 0.00 0.00 177.57 177.19 1f68 h ALA 795 N 1.37 -1.35 -0.54 1.67 0.00 -0.80 -2.88 119.26 116.73 1f68 h ALA 795 Ca 0.27 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1f68 h ALA 795 Cb 0.30 0.51 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 1f68 h ALA 795 CO -0.27 -1.26 0.20 -0.44 0.00 0.00 0.00 179.25 177.48 1f68 h ASP 796 N -1.31 0.20 0.13 0.00 5.19 -0.42 0.28 116.42 120.48 1f68 h ASP 796 Ca -0.13 0.07 0.01 0.00 -0.62 0.00 0.00 57.03 56.35 1f68 h ASP 796 Cb 1.01 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.55 1f68 h ASP 796 CO 0.22 0.13 -0.15 0.25 -3.12 0.00 0.00 179.24 176.57 1f68 h LEU 797 N 0.38 -0.41 -1.69 1.55 7.12 -0.84 0.23 115.31 121.66 1f68 h LEU 797 Ca 0.27 0.04 -0.02 0.00 0.13 0.00 0.00 57.88 58.30 1f68 h LEU 797 Cb 0.30 0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.57 1f68 h LEU 797 CO -0.27 -0.23 0.00 1.56 -0.13 0.00 0.00 178.44 179.38 1f68 h GLN 798 N -0.32 0.20 -0.44 1.25 4.20 -1.19 -0.93 115.11 117.87 1f68 h GLN 798 Ca 0.01 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1f68 h GLN 798 Cb 0.32 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1f68 h GLN 798 CO -0.06 0.22 0.16 -0.09 -0.67 0.00 0.00 178.83 178.39 1f68 h ARG 799 N 0.20 0.68 -0.33 1.46 2.43 0.80 0.19 114.38 119.81 1f68 h ARG 799 Ca 0.05 -0.14 0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1f68 h ARG 799 Cb 0.13 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1f68 h ARG 799 CO 0.00 0.64 0.20 0.28 -1.51 0.00 0.00 179.97 179.58 1f68 h VAL 800 N 0.58 1.05 -0.05 0.20 2.07 0.32 0.18 116.25 120.59 1f68 h VAL 800 Ca 0.15 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.55 1f68 h VAL 800 Cb 0.23 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1f68 h VAL 800 CO -0.01 0.07 -0.08 0.40 0.02 0.00 0.00 177.57 177.98 1f68 h ILE 801 N 0.40 0.79 -0.13 4.57 2.04 -0.95 -0.23 117.51 124.00 1f68 h ILE 801 Ca 0.13 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.03 1f68 h ILE 801 Cb -0.01 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 36.80 1f68 h ILE 801 CO -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 178.15 177.93 1f68 h ALA 802 N 0.92 -0.09 -0.56 1.87 0.00 -0.27 0.41 119.26 121.54 1f68 h ALA 802 Ca 0.05 0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.12 1f68 h ALA 802 Cb 0.18 0.34 -0.11 0.00 0.00 0.00 0.00 17.79 18.19 1f68 h ALA 802 CO -0.12 -0.62 -0.24 -0.91 0.00 0.00 0.00 179.25 177.36 1f68 h ASN 803 N -0.21 -0.85 0.13 0.00 2.35 -0.45 0.12 115.58 116.67 1f68 h ASN 803 Ca 0.10 0.20 0.02 0.00 -0.55 0.00 0.00 56.30 56.06 1f68 h ASN 803 Cb 0.35 0.46 -0.04 0.00 0.05 0.00 0.00 38.32 39.15 1f68 h ASN 803 CO -0.25 -0.26 -0.31 0.00 -1.65 0.00 0.00 177.43 174.95 1f68 h ARG 805 N -0.54 1.20 0.11 0.00 2.47 0.07 0.20 114.38 117.88 1f68 h ARG 805 Ca 0.03 -0.19 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 1f68 h ARG 805 Cb 0.57 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 1f68 h ARG 805 CO -0.18 0.94 -0.12 0.93 0.56 0.00 0.00 179.97 182.10 1f68 h GLU 806 N 1.18 -0.24 0.04 0.04 5.08 -0.67 -3.31 114.58 116.71 1f68 h GLU 806 Ca 0.28 0.02 -0.24 0.00 -1.00 0.00 0.00 59.36 58.41 1f68 h GLU 806 Cb 0.15 0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.46 1f68 h GLU 806 CO -0.03 -0.16 -1.05 -0.92 -1.00 0.00 0.00 179.01 175.85 1f68 h TYR 807 N -0.25 0.62 -3.36 4.33 3.20 -0.31 -3.45 116.97 117.74 1f68 h TYR 807 Ca 0.01 -0.37 -0.64 0.00 3.14 0.00 0.00 58.73 60.87 1f68 h TYR 807 Cb 0.25 -0.06 -0.22 0.00 1.54 0.00 0.00 36.73 38.24 1f68 h TYR 807 CO -0.12 1.21 -0.66 -0.80 -1.64 0.00 0.00 178.16 176.15 1f68 s ASN 808 N -7.13 4.84 0.82 -2.11 0.01 0.63 -5.09 114.94 106.91 1f68 s ASN 808 Ca -0.06 -0.16 -0.10 0.00 -0.71 0.00 0.00 52.86 51.83 1f68 s ASN 808 Cb 0.08 -1.81 0.09 0.00 0.41 0.00 0.00 41.25 40.02 1f68 s ASN 808 CO 0.88 0.12 1.11 -2.16 -1.51 0.00 0.00 177.10 175.54 1f68 s PRO 809 N 0.67 1.85 0.64 -0.60 0.04 -1.26 -4.62 135.00 131.72 1f68 s PRO 809 Ca -0.01 1.30 -0.18 0.00 0.04 0.00 0.00 61.00 62.15 1f68 s PRO 809 Cb -0.14 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 1f68 s PRO 809 CO 0.02 -1.97 1.08 -0.35 0.04 0.00 0.00 177.00 175.82 1f68 n PRO 810 N -3.75 0.89 -0.94 0.56 -0.04 -1.26 -2.40 135.00 128.06 1f68 n PRO 810 Ca 0.10 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 1f68 n PRO 810 Cb 0.53 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 1f68 n PRO 810 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1f68 n ASP 811 N -1.37 -3.98 -4.78 3.54 2.03 -1.26 -5.01 116.55 105.71 1f68 n ASP 811 Ca 0.15 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.14 1f68 n ASP 811 Cb 0.48 -2.25 0.07 0.00 -0.72 0.00 0.00 41.12 38.70 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 -2.07 4.83 0.18 1.67 1.04 -1.01 -4.84 113.70 113.51 1f68 s SER 812 Ca 0.00 1.83 -0.14 0.00 0.48 0.00 0.00 55.95 58.12 1f68 s SER 812 Cb 0.00 -2.52 0.17 0.00 0.10 0.00 0.00 66.02 63.77 1f68 s SER 812 CO 0.00 -1.82 1.69 -0.33 0.98 0.00 0.00 173.24 173.76 1f68 h GLU 813 N -0.75 0.12 -0.21 4.02 4.39 -1.95 -0.14 114.58 120.06 1f68 h GLU 813 Ca -0.44 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.28 1f68 h GLU 813 Cb 1.23 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.79 1f68 h GLU 813 CO 0.53 0.08 -0.54 1.88 -1.16 0.00 0.00 179.01 179.80 1f68 h TYR 814 N 0.12 -1.61 -0.12 4.33 -1.99 -1.93 0.12 116.97 115.88 1f68 h TYR 814 Ca 0.24 0.07 0.04 0.00 2.00 0.00 0.00 58.73 61.07 1f68 h TYR 814 Cb 0.35 0.73 -0.04 0.00 2.00 0.00 0.00 36.73 39.78 1f68 h TYR 814 CO -0.30 -0.52 -0.11 0.00 -0.00 0.00 0.00 178.16 177.23 1f68 h ARG 816 N -0.13 -0.04 -0.82 0.00 3.08 -0.83 0.77 114.38 116.40 1f68 h ARG 816 Ca 0.08 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.21 1f68 h ARG 816 Cb 0.26 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.25 1f68 h ARG 816 CO -0.20 0.02 0.49 0.00 -1.07 0.00 0.00 179.97 179.20 1f68 h ALA 818 N 1.42 0.61 0.12 0.00 0.00 -0.05 0.28 119.26 121.65 1f68 h ALA 818 Ca 0.38 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1f68 h ALA 818 Cb 0.27 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1f68 h ALA 818 CO -0.21 0.29 -0.24 0.77 0.00 0.00 0.00 179.25 179.86 1f68 h SER 819 N 0.62 -0.67 -0.58 0.00 0.02 -0.36 0.24 113.55 112.82 1f68 h SER 819 Ca 0.15 0.08 0.07 0.00 -0.84 0.00 0.00 61.79 61.25 1f68 h SER 819 Cb 0.30 0.25 -0.06 0.00 0.14 0.00 0.00 62.40 63.03 1f68 h SER 819 CO -0.00 -0.33 0.26 0.00 -1.14 0.00 0.00 176.83 175.62 1f68 h ALA 820 N 0.32 0.75 -0.83 3.77 0.00 -0.87 -1.99 119.26 120.41 1f68 h ALA 820 Ca 0.03 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1f68 h ALA 820 Cb 0.46 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1f68 h ALA 820 CO -0.13 -0.12 0.39 1.25 0.00 0.00 0.00 179.25 180.64 1f68 h LEU 821 N 0.48 1.09 0.30 0.00 5.85 0.02 0.63 115.31 123.69 1f68 h LEU 821 Ca 0.28 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1f68 h LEU 821 Cb 0.27 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1f68 h LEU 821 CO -0.24 0.92 -0.14 -0.08 -0.34 0.00 0.00 178.44 178.56 1f68 h GLU 822 N 1.19 -0.39 0.15 1.25 4.57 0.10 0.28 114.58 121.73 1f68 h GLU 822 Ca 0.29 0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.50 1f68 h GLU 822 Cb 0.13 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 1f68 h GLU 822 CO -0.04 -0.24 -0.20 0.87 -1.18 0.00 0.00 179.01 178.22 1f68 h LYS 823 N -0.43 -0.39 -0.47 1.92 1.79 -1.14 0.18 116.57 118.02 1f68 h LYS 823 Ca -0.04 0.03 0.09 0.00 -2.18 0.00 0.00 60.65 58.54 1f68 h LYS 823 Cb 0.33 0.09 -0.10 0.00 -1.58 0.00 0.00 32.23 30.97 1f68 h LYS 823 CO 0.07 -0.26 -0.32 0.35 -1.08 0.00 0.00 179.45 178.21 1f68 h PHE 824 N -0.40 -0.88 -0.11 -1.35 3.04 -0.79 0.03 116.94 116.49 1f68 h PHE 824 Ca 0.01 0.06 0.02 0.00 3.98 0.00 0.00 57.97 62.05 1f68 h PHE 824 Cb 0.40 0.46 -0.02 0.00 2.56 0.00 0.00 35.95 39.35 1f68 h PHE 824 CO -0.17 -0.38 -0.04 0.35 -2.02 0.00 0.00 178.31 176.05 1f68 h PHE 825 N -0.21 -0.08 -0.64 0.41 3.57 0.03 0.20 116.94 120.21 1f68 h PHE 825 Ca 0.20 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.78 1f68 h PHE 825 Cb 0.54 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.27 1f68 h PHE 825 CO -0.57 -0.06 0.32 1.88 -2.23 0.00 0.00 178.31 177.65 1f68 h TYR 826 N -0.02 0.58 -0.48 0.41 -1.99 -0.53 0.13 116.97 115.07 1f68 h TYR 826 Ca 0.05 0.03 0.06 0.00 2.00 0.00 0.00 58.73 60.87 1f68 h TYR 826 Cb 0.10 -0.17 -0.05 0.00 2.00 0.00 0.00 36.73 38.61 1f68 h TYR 826 CO -0.16 0.25 0.17 0.74 -0.00 0.00 0.00 178.16 179.16 1f68 h PHE 827 N 0.59 0.31 -0.40 4.88 0.04 0.06 0.16 116.94 122.59 1f68 h PHE 827 Ca 0.30 0.02 0.05 0.00 2.80 0.00 0.00 57.97 61.14 1f68 h PHE 827 Cb 0.25 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.29 1f68 h PHE 827 CO -0.10 0.11 0.13 0.87 -0.60 0.00 0.00 178.31 178.72 1f68 h LYS 828 N 0.35 0.28 -0.24 1.51 1.79 0.84 0.14 116.57 121.25 1f68 h LYS 828 Ca 0.23 -0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.73 1f68 h LYS 828 Cb 0.23 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 30.76 1f68 h LYS 828 CO -0.23 0.19 -0.09 -0.07 -1.08 0.00 0.00 179.45 178.17 1f68 h LEU 829 N 0.29 -0.31 -0.58 2.94 3.38 -0.25 0.94 115.31 121.72 1f68 h LEU 829 Ca 0.18 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.28 1f68 h LEU 829 Cb 0.17 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1f68 h LEU 829 CO -0.19 -0.12 0.33 0.11 0.09 0.00 0.00 178.44 178.66 1f68 h LYS 830 N -0.05 0.61 -0.58 1.13 1.57 -0.42 -2.53 116.57 116.30 1f68 h LYS 830 Ca 0.12 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1f68 h LYS 830 Cb 0.23 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1f68 h LYS 830 CO -0.27 0.40 0.38 0.93 -0.57 0.00 0.00 179.45 180.32 1f68 h GLU 831 N 0.63 0.75 0.00 3.15 5.08 -0.14 -3.51 114.58 120.54 1f68 h GLU 831 Ca 0.25 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1f68 h GLU 831 Cb 0.10 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1f68 h GLU 831 CO -0.14 0.50 0.00 0.41 -1.00 0.00 0.00 179.01 178.78