#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 0.27 -0.15 1.61 3.58 -2.02 0.88 116.42 120.59 1f68 h ASP 731 Ca 0.00 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 1f68 h ASP 731 Cb 0.00 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 1f68 h ASP 731 CO 0.00 0.20 0.05 1.56 -2.88 0.00 0.00 179.24 178.17 1f68 h GLN 732 N 0.39 0.23 0.12 0.28 7.50 -2.05 0.91 115.11 122.49 1f68 h GLN 732 Ca 0.18 -0.05 0.01 0.00 0.50 0.00 0.00 58.65 59.30 1f68 h GLN 732 Cb 0.10 -0.03 -0.03 0.00 0.05 0.00 0.00 27.48 27.57 1f68 h GLN 732 CO -0.14 0.35 -0.21 1.25 -1.50 0.00 0.00 178.83 178.58 1f68 h LEU 733 N 0.06 -0.59 -0.39 1.46 5.85 -1.94 0.12 115.31 119.88 1f68 h LEU 733 Ca 0.05 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.92 1f68 h LEU 733 Cb 0.21 0.22 -0.09 0.00 0.37 0.00 0.00 40.66 41.38 1f68 h LEU 733 CO -0.00 -0.30 -0.20 0.22 -0.34 0.00 0.00 178.44 177.83 1f68 h TYR 734 N -0.40 -0.49 -0.60 1.25 3.20 -0.67 0.14 116.97 119.40 1f68 h TYR 734 Ca 0.03 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.99 1f68 h TYR 734 Cb 0.42 0.28 -0.05 0.00 1.54 0.00 0.00 36.73 38.92 1f68 h TYR 734 CO -0.20 -0.28 0.33 1.15 -1.64 0.00 0.00 178.16 177.52 1f68 h THR 735 N -0.13 0.97 0.12 1.81 2.02 -0.43 0.18 112.91 117.45 1f68 h THR 735 Ca 0.19 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 1f68 h THR 735 Cb 0.42 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1f68 h THR 735 CO -0.47 0.11 -0.07 0.74 0.37 0.00 0.00 175.52 176.20 1f68 h THR 736 N 0.62 0.85 -0.78 3.16 2.02 0.40 0.68 112.91 119.87 1f68 h THR 736 Ca 0.27 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.52 1f68 h THR 736 Cb 0.15 0.85 -0.06 0.00 -1.74 0.00 0.00 68.15 67.35 1f68 h THR 736 CO -0.17 0.00 0.46 -0.07 0.37 0.00 0.00 175.52 176.11 1f68 h LEU 737 N -0.18 0.69 -0.38 2.58 3.38 -0.37 0.15 115.31 121.18 1f68 h LEU 737 Ca -0.01 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1f68 h LEU 737 Cb 0.15 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1f68 h LEU 737 CO 0.01 0.43 0.16 0.50 0.09 0.00 0.00 178.44 179.63 1f68 h LYS 738 N 0.82 0.57 -0.52 1.13 3.64 -0.23 0.12 116.57 122.09 1f68 h LYS 738 Ca 0.35 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.59 1f68 h LYS 738 Cb 0.23 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1f68 h LYS 738 CO -0.20 0.53 0.14 -0.91 -2.27 0.00 0.00 179.45 176.75 1f68 h ASN 739 N 0.48 0.78 0.28 4.20 2.35 -0.34 0.17 115.58 123.51 1f68 h ASN 739 Ca 0.13 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1f68 h ASN 739 Cb 0.17 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 1f68 h ASN 739 CO -0.01 0.80 -0.33 0.25 -1.65 0.00 0.00 177.43 176.49 1f68 h LEU 740 N 0.73 -0.89 -0.59 1.61 5.85 -0.49 -0.82 115.31 120.69 1f68 h LEU 740 Ca 0.17 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.98 1f68 h LEU 740 Cb 0.31 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 1f68 h LEU 740 CO -0.00 -0.45 0.39 0.25 -0.34 0.00 0.00 178.44 178.29 1f68 h LEU 741 N -0.65 0.67 -0.07 2.25 5.85 -0.63 0.14 115.31 122.87 1f68 h LEU 741 Ca -0.01 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.73 1f68 h LEU 741 Cb 0.61 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 1f68 h LEU 741 CO -0.09 0.48 -0.17 0.00 -0.34 0.00 0.00 178.44 178.32 1f68 h ALA 742 N 1.22 -0.14 0.01 1.25 0.00 -0.48 0.14 119.26 121.24 1f68 h ALA 742 Ca 0.22 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1f68 h ALA 742 Cb -0.08 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1f68 h ALA 742 CO -0.05 -0.64 -0.06 1.96 0.00 0.00 0.00 179.25 180.46 1f68 h GLN 743 N -0.24 -0.10 -0.44 0.00 4.20 -0.77 0.15 115.11 117.90 1f68 h GLN 743 Ca 0.08 0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.88 1f68 h GLN 743 Cb 0.35 0.02 -0.10 0.00 0.30 0.00 0.00 27.48 28.06 1f68 h GLN 743 CO -0.21 -0.07 -0.26 0.82 -0.67 0.00 0.00 178.83 178.44 1f68 h ILE 744 N -0.11 0.31 -0.64 2.54 1.08 -0.61 0.50 117.51 120.58 1f68 h ILE 744 Ca 0.02 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.42 1f68 h ILE 744 Cb 0.13 0.31 -0.03 0.00 -3.07 0.00 0.00 36.82 34.17 1f68 h ILE 744 CO -0.06 0.00 0.13 0.11 -0.69 0.00 0.00 178.15 177.64 1f68 h LYS 745 N -0.17 1.03 -0.94 2.37 1.57 -0.47 -2.92 116.57 117.05 1f68 h LYS 745 Ca 0.20 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1f68 h LYS 745 Cb 0.49 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 1f68 h LYS 745 CO -0.54 0.95 0.55 0.77 -0.57 0.00 0.00 179.45 180.61 1f68 h SER 746 N 0.95 1.14 -2.48 0.86 0.02 0.10 -3.43 113.55 110.71 1f68 h SER 746 Ca 0.20 -0.08 -0.53 0.00 -0.84 0.00 0.00 61.79 60.54 1f68 h SER 746 Cb 0.39 -0.29 0.04 0.00 0.14 0.00 0.00 62.40 62.68 1f68 h SER 746 CO 0.01 0.89 1.14 1.57 -1.14 0.00 0.00 176.83 179.29 1f68 n HIS 747 N -4.35 2.62 -0.33 3.45 -0.00 0.09 -4.86 115.22 111.85 1f68 n HIS 747 Ca 0.10 -0.20 0.21 0.00 -0.00 0.00 0.00 57.72 57.84 1f68 n HIS 747 Cb 0.07 -2.75 0.41 0.00 -0.00 0.00 0.00 29.99 27.72 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 8.93 0.06 -1.24 1.57 0.11 -1.86 0.07 132.00 139.63 1f68 h PRO 748 Ca -0.47 -0.00 0.36 0.00 0.11 0.00 0.00 66.00 66.00 1f68 h PRO 748 Cb 1.22 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 1f68 h PRO 748 CO 0.95 0.04 1.19 0.77 -0.21 0.00 0.00 178.00 180.74 1f68 h SER 749 N 0.06 0.00 -0.34 -2.05 0.02 -1.89 -0.12 113.55 109.23 1f68 h SER 749 Ca 0.69 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.65 1f68 h SER 749 Cb 1.61 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.13 1f68 h SER 749 CO -0.80 0.00 0.23 0.00 -1.14 0.00 0.00 176.83 175.12 1f68 h ALA 750 N 0.77 1.80 -0.97 3.77 0.00 -1.17 -3.37 119.26 120.09 1f68 h ALA 750 Ca 0.59 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.67 1f68 h ALA 750 Cb 2.97 -0.12 -0.18 0.00 0.00 0.00 0.00 17.79 20.45 1f68 h ALA 750 CO -0.01 0.18 -0.25 -2.67 0.00 0.00 0.00 179.25 176.50 1f68 n TRP 751 N -4.49 0.32 0.37 0.00 4.27 -0.06 -0.59 117.44 117.27 1f68 n TRP 751 Ca 0.02 1.18 0.14 0.00 -3.89 0.00 0.00 57.50 54.95 1f68 n TRP 751 Cb 0.09 -1.05 0.54 0.00 -1.36 0.00 0.00 31.31 29.54 1f68 n TRP 751 CO 0.00 0.00 0.00 -1.35 -2.29 0.00 0.00 177.69 174.05 1f68 h PRO 752 N 0.00 0.00 -0.13 -2.67 0.11 -1.85 -3.18 132.00 124.28 1f68 h PRO 752 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1f68 h PRO 752 Cb 0.70 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1f68 h PRO 752 CO -0.99 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 177.99 1f68 n PHE 753 N -2.51 0.17 0.09 0.65 3.72 0.24 -4.75 117.46 115.07 1f68 n PHE 753 Ca 0.02 -0.31 -0.04 0.00 -0.05 0.00 0.00 57.45 57.07 1f68 n PHE 753 Cb 0.27 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 38.77 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 1.22 -0.22 -7.03 -1.08 2.86 -1.47 0.92 114.93 110.13 1f68 h MET 754 Ca 0.00 0.02 -0.49 0.00 -2.06 0.00 0.00 59.70 57.17 1f68 h MET 754 Cb 0.50 0.05 0.02 0.00 0.06 0.00 0.00 31.60 32.23 1f68 h MET 754 CO 0.00 -0.15 0.24 -1.21 1.06 0.00 0.00 176.91 176.85 1f68 s GLU 755 N -3.48 3.79 0.80 1.72 2.02 -1.26 -0.70 118.70 121.58 1f68 s GLU 755 Ca -0.03 0.63 -0.11 0.00 0.02 0.00 0.00 54.97 55.48 1f68 s GLU 755 Cb 0.00 -2.27 0.07 0.00 0.10 0.00 0.00 34.13 32.03 1f68 s GLU 755 CO 0.10 -0.20 1.09 -1.25 0.02 0.00 0.00 175.26 175.02 1f68 s PRO 756 N -4.18 2.09 -0.28 0.39 0.04 -1.26 -4.83 135.00 126.97 1f68 s PRO 756 Ca 0.54 0.88 -0.29 0.00 0.04 0.00 0.00 61.00 62.17 1f68 s PRO 756 Cb -0.10 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 1f68 s PRO 756 CO 0.35 -1.68 1.79 0.08 0.04 0.00 0.00 177.00 177.59 1f68 s VAL 757 N -3.02 3.48 0.61 -0.36 1.01 -1.26 -4.95 120.40 115.91 1f68 s VAL 757 Ca 0.61 0.50 -0.12 0.00 0.00 0.00 0.00 61.98 62.97 1f68 s VAL 757 Cb -0.16 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1f68 s VAL 757 CO 0.56 -0.34 1.03 -0.54 0.00 0.00 0.00 175.10 175.81 1f68 s LYS 758 N 5.43 3.54 0.39 2.72 1.02 -1.26 -4.80 119.74 126.79 1f68 s LYS 758 Ca 0.80 0.86 0.09 0.00 0.02 0.00 0.00 55.97 57.74 1f68 s LYS 758 Cb -0.25 -2.07 0.86 0.00 -0.52 0.00 0.00 37.83 35.85 1f68 s LYS 758 CO 0.33 -0.61 1.97 0.87 -0.92 0.00 0.00 175.35 176.99 1f68 h LYS 759 N -0.08 0.59 -0.00 1.68 1.57 -1.93 0.19 116.57 118.59 1f68 h LYS 759 Ca -0.45 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1f68 h LYS 759 Cb 1.19 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 1f68 h LYS 759 CO 0.61 0.39 -0.01 0.66 -0.57 0.00 0.00 179.45 180.52 1f68 h SER 760 N 0.60 0.00 0.00 0.86 4.64 -2.00 -3.14 113.55 114.51 1f68 h SER 760 Ca 0.29 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.53 1f68 h SER 760 Cb 0.34 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1f68 h SER 760 CO -0.09 0.02 -0.55 -0.33 -0.87 0.00 0.00 176.83 175.01 1f68 h GLU 761 N 0.00 0.00 -1.08 4.77 5.08 -1.08 -3.47 114.58 118.80 1f68 h GLU 761 Ca -0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1f68 h GLU 761 Cb 0.03 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.08 1f68 h GLU 761 CO 0.00 0.57 -0.48 0.00 -1.00 0.00 0.00 179.01 178.11 1f68 s ALA 762 N -2.45 -2.15 0.27 3.43 0.00 -0.03 -5.01 121.76 115.82 1f68 s ALA 762 Ca -0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.77 1f68 s ALA 762 Cb 0.02 -2.67 0.59 0.00 0.00 0.00 0.00 23.12 21.06 1f68 s ALA 762 CO 0.42 -2.22 1.70 -1.35 0.00 0.00 0.00 175.76 174.31 1f68 h PRO 763 N 6.65 0.35 -1.32 0.00 0.11 -1.75 -0.12 132.00 135.93 1f68 h PRO 763 Ca 0.05 -0.02 0.38 0.00 0.11 0.00 0.00 66.00 66.53 1f68 h PRO 763 Cb 1.16 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 32.11 1f68 h PRO 763 CO 0.09 0.23 0.92 0.38 -0.21 0.00 0.00 178.00 179.41 1f68 h ASP 764 N 0.36 0.12 -0.79 -2.05 2.03 -1.95 0.67 116.42 114.81 1f68 h ASP 764 Ca 0.49 0.04 0.18 0.00 -0.73 0.00 0.00 57.03 57.00 1f68 h ASP 764 Cb 0.87 0.02 -0.11 0.00 -0.83 0.00 0.00 39.33 39.28 1f68 h ASP 764 CO -0.51 -0.01 0.24 0.22 -1.03 0.00 0.00 179.24 178.15 1f68 h TYR 765 N 0.09 0.38 0.00 4.15 3.20 -1.38 0.76 116.97 124.18 1f68 h TYR 765 Ca 0.67 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 62.51 1f68 h TYR 765 Cb 2.43 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 40.64 1f68 h TYR 765 CO -0.00 -0.07 -0.36 1.88 -1.64 0.00 0.00 178.16 177.97 1f68 h TYR 766 N 0.31 0.00 0.20 -3.82 0.05 -1.04 0.30 116.97 112.97 1f68 h TYR 766 Ca 0.46 0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.92 1f68 h TYR 766 Cb 0.81 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.58 1f68 h TYR 766 CO -0.23 0.36 -1.37 0.93 -1.05 0.00 0.00 178.16 176.80 1f68 h GLU 767 N 0.00 0.50 0.01 4.88 4.39 -1.14 -3.24 114.58 119.98 1f68 h GLU 767 Ca -0.00 -0.80 -0.00 0.00 0.34 0.00 0.00 59.36 58.90 1f68 h GLU 767 Cb 1.14 0.29 0.00 0.00 -0.10 0.00 0.00 28.75 30.09 1f68 h GLU 767 CO 0.05 1.38 -0.01 0.28 -1.16 0.00 0.00 179.01 179.55 1f68 h VAL 768 N 0.16 0.00 -0.96 3.13 2.07 -0.91 -3.39 116.25 116.35 1f68 h VAL 768 Ca -0.21 -0.55 -0.70 0.00 0.82 0.00 0.00 66.70 66.06 1f68 h VAL 768 Cb 2.07 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.74 1f68 h VAL 768 CO 0.25 0.00 2.23 -0.38 0.02 0.00 0.00 177.57 179.69 1f68 n ILE 769 N -3.57 3.93 -0.17 4.57 2.08 0.10 -4.77 119.36 121.54 1f68 n ILE 769 Ca -0.00 -4.02 0.26 0.00 0.56 0.00 0.00 62.75 59.55 1f68 n ILE 769 Cb 0.01 -2.42 0.69 0.00 -0.75 0.00 0.00 39.64 37.16 1f68 n ILE 769 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 1f68 h ARG 770 N 7.04 0.06 -2.82 0.38 2.47 -1.76 -3.20 114.38 116.54 1f68 h ARG 770 Ca 0.45 -0.00 -0.67 0.00 -1.26 0.00 0.00 59.98 58.49 1f68 h ARG 770 Cb 0.81 -0.01 -0.38 0.00 -1.65 0.00 0.00 29.97 28.74 1f68 h ARG 770 CO 1.52 0.04 -0.20 1.19 0.56 0.00 0.00 179.97 183.08 1f68 n PHE 771 N -4.32 3.56 -1.35 3.04 3.72 -1.26 -5.04 117.46 115.81 1f68 n PHE 771 Ca 0.18 -3.92 -0.31 0.00 -0.05 0.00 0.00 57.45 53.35 1f68 n PHE 771 Cb 0.88 -0.87 0.09 0.00 -0.94 0.00 0.00 39.48 38.63 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 -2.02 2.30 0.13 -1.08 0.04 -1.21 -5.01 135.00 128.15 1f68 s PRO 772 Ca 0.32 1.04 -0.25 0.00 0.04 0.00 0.00 61.00 62.15 1f68 s PRO 772 Cb 0.03 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 32.73 1f68 s PRO 772 CO -0.06 -1.57 0.83 -1.50 0.04 0.00 0.00 177.00 174.74 1f68 s ILE 773 N -2.96 0.00 -0.09 0.56 1.10 -1.26 -5.09 121.20 113.46 1f68 s ILE 773 Ca 0.61 -0.39 -0.32 0.00 -0.51 0.00 0.00 60.65 60.04 1f68 s ILE 773 Cb -0.16 -1.49 0.12 0.00 0.15 0.00 0.00 42.46 41.07 1f68 s ILE 773 CO 0.56 0.00 1.13 1.51 -2.11 0.00 0.00 174.94 176.03 1f68 s ASP 774 N -2.76 -0.18 0.20 4.50 -4.77 -1.26 -4.81 116.67 107.60 1f68 s ASP 774 Ca 0.08 -0.06 -0.03 0.00 -3.30 0.00 0.00 52.55 49.23 1f68 s ASP 774 Cb -0.02 0.23 0.16 0.00 -1.09 0.00 0.00 42.92 42.20 1f68 s ASP 774 CO -0.03 -0.39 1.55 -0.07 0.70 0.00 0.00 175.17 176.93 1f68 h LEU 775 N 2.00 0.65 0.14 2.11 3.38 -0.70 0.34 115.31 123.23 1f68 h LEU 775 Ca -0.17 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.50 1f68 h LEU 775 Cb 1.20 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 1f68 h LEU 775 CO 0.26 1.00 -0.21 0.50 0.09 0.00 0.00 178.44 180.08 1f68 h LYS 776 N 0.49 -0.40 -0.43 1.13 3.11 -1.12 0.22 116.57 119.57 1f68 h LYS 776 Ca 0.03 0.03 0.05 0.00 -2.81 0.00 0.00 60.65 57.95 1f68 h LYS 776 Cb 0.96 0.09 -0.05 0.00 -1.00 0.00 0.00 32.23 32.24 1f68 h LYS 776 CO 0.09 -0.27 0.16 1.15 -2.81 0.00 0.00 179.45 177.77 1f68 h THR 777 N -0.42 0.88 -0.88 1.00 2.02 -1.74 -0.61 112.91 113.17 1f68 h THR 777 Ca 0.02 -0.11 0.09 0.00 0.77 0.00 0.00 66.41 67.18 1f68 h THR 777 Cb 0.43 0.52 -0.07 0.00 -1.74 0.00 0.00 68.15 67.28 1f68 h THR 777 CO -0.10 0.06 0.53 0.24 0.37 0.00 0.00 175.52 176.62 1f68 h MET 778 N 0.33 0.87 0.27 6.66 2.86 -0.54 0.97 114.93 126.35 1f68 h MET 778 Ca 0.20 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1f68 h MET 778 Cb 0.18 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1f68 h MET 778 CO -0.20 0.58 -0.27 1.15 1.06 0.00 0.00 176.91 179.23 1f68 h THR 779 N 0.90 0.44 -0.17 2.22 2.02 0.56 0.15 112.91 119.02 1f68 h THR 779 Ca 0.41 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.64 1f68 h THR 779 Cb 0.33 0.44 -0.05 0.00 -1.74 0.00 0.00 68.15 67.13 1f68 h THR 779 CO -0.23 0.00 -0.14 -0.33 0.37 0.00 0.00 175.52 175.19 1f68 h GLU 780 N -0.57 -0.14 -0.54 6.66 5.08 -0.46 0.78 114.58 125.39 1f68 h GLU 780 Ca -0.01 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1f68 h GLU 780 Cb 0.52 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.73 1f68 h GLU 780 CO -0.05 -0.10 0.16 0.00 -1.00 0.00 0.00 179.01 178.02 1f68 h ARG 781 N -0.15 0.30 -0.03 2.33 2.47 -0.65 0.96 114.38 119.62 1f68 h ARG 781 Ca 0.11 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.81 1f68 h ARG 781 Cb 0.31 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.56 1f68 h ARG 781 CO -0.26 0.20 0.01 1.25 0.56 0.00 0.00 179.97 181.72 1f68 h LEU 782 N 0.31 0.04 -1.60 3.04 5.85 -0.04 0.43 115.31 123.34 1f68 h LEU 782 Ca 0.27 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.79 1f68 h LEU 782 Cb 0.34 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1f68 h LEU 782 CO -0.31 0.27 0.32 0.03 -0.34 0.00 0.00 178.44 178.41 1f68 h ARG 783 N -0.19 0.51 0.00 1.25 2.47 -0.51 0.16 114.38 118.07 1f68 h ARG 783 Ca 0.01 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1f68 h ARG 783 Cb 0.24 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 1f68 h ARG 783 CO 0.00 0.34 0.00 0.43 0.56 0.00 0.00 179.97 181.30 1f68 n SER 784 N -4.47 0.00 -2.92 7.04 7.64 0.30 -4.90 113.62 116.31 1f68 n SER 784 Ca 0.05 -1.46 -0.22 0.00 1.01 0.00 0.00 58.87 58.26 1f68 n SER 784 Cb 0.16 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.38 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 -0.75 -4.06 -0.08 1.43 3.00 0.55 -4.90 116.66 111.86 1f68 n ARG 785 Ca 0.12 0.87 -0.11 0.00 -0.01 0.00 0.00 57.85 58.72 1f68 n ARG 785 Cb 0.05 -5.68 -0.04 0.00 0.00 0.00 0.00 32.46 26.79 1f68 n ARG 785 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.63 176.71 1f68 h TYR 786 N -1.04 0.47 0.00 -1.55 5.03 -1.14 -3.32 116.97 115.42 1f68 h TYR 786 Ca -0.51 -0.08 -0.58 0.00 2.58 0.00 0.00 58.73 60.14 1f68 h TYR 786 Cb 1.35 -0.12 0.02 0.00 1.55 0.00 0.00 36.73 39.53 1f68 h TYR 786 CO 0.56 0.61 3.38 0.66 -1.32 0.00 0.00 178.16 182.04 1f68 n TYR 787 N -4.63 2.14 -0.22 -3.82 4.01 -1.26 -4.67 117.16 108.71 1f68 n TYR 787 Ca -0.04 -2.69 -0.02 0.00 -0.16 0.00 0.00 57.90 54.99 1f68 n TYR 787 Cb 0.25 -2.22 0.09 0.00 -0.31 0.00 0.00 39.34 37.15 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 3.25 0.96 -3.44 -0.72 -1.51 -1.97 -3.38 116.25 109.43 1f68 h VAL 788 Ca 0.72 -0.22 -0.64 0.00 -1.23 0.00 0.00 66.70 65.34 1f68 h VAL 788 Cb 0.28 0.25 -0.21 0.00 -2.13 0.00 0.00 31.29 29.48 1f68 h VAL 788 CO 1.69 0.12 -0.62 0.42 -1.23 0.00 0.00 177.57 177.95 1f68 s THR 789 N -6.10 4.28 0.37 7.19 -4.23 -1.26 -5.01 115.64 110.89 1f68 s THR 789 Ca -0.13 -0.20 0.20 0.00 -1.18 0.00 0.00 61.69 60.38 1f68 s THR 789 Cb 0.16 -2.95 0.37 0.00 1.34 0.00 0.00 72.50 71.42 1f68 s THR 789 CO 0.76 0.42 1.64 -0.09 -0.54 0.00 0.00 174.62 176.81 1f68 h ARG 790 N 7.39 0.20 -1.04 3.99 2.43 -2.00 0.44 114.38 125.79 1f68 h ARG 790 Ca -0.36 -0.01 0.27 0.00 -0.81 0.00 0.00 59.98 59.07 1f68 h ARG 790 Cb 1.18 -0.04 -0.11 0.00 -0.42 0.00 0.00 29.97 30.57 1f68 h ARG 790 CO 0.63 0.13 0.65 -0.22 -1.51 0.00 0.00 179.97 179.65 1f68 h LYS 791 N 0.21 0.43 -0.45 0.20 1.63 -1.95 0.19 116.57 116.83 1f68 h LYS 791 Ca 0.77 -0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 60.48 1f68 h LYS 791 Cb 1.99 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 33.51 1f68 h LYS 791 CO -0.58 0.28 0.02 -0.07 -3.45 0.00 0.00 179.45 175.65 1f68 h LEU 792 N 0.44 0.76 -0.06 5.20 3.38 -1.27 0.15 115.31 123.92 1f68 h LEU 792 Ca 0.63 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 58.31 1f68 h LEU 792 Cb 1.48 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1f68 h LEU 792 CO -0.38 0.87 -0.02 0.15 0.09 0.00 0.00 178.44 179.16 1f68 h PHE 793 N 0.63 -0.04 -0.19 1.13 3.04 -0.83 0.03 116.94 120.71 1f68 h PHE 793 Ca 0.13 0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.13 1f68 h PHE 793 Cb 0.47 0.02 -0.05 0.00 2.56 0.00 0.00 35.95 38.96 1f68 h PHE 793 CO 0.04 -0.03 -0.11 0.28 -2.02 0.00 0.00 178.31 176.46 1f68 h VAL 794 N -0.00 0.66 -0.35 1.41 2.07 -0.76 0.11 116.25 119.38 1f68 h VAL 794 Ca 0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.61 1f68 h VAL 794 Cb 0.05 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1f68 h VAL 794 CO -0.06 0.00 0.01 0.00 0.02 0.00 0.00 177.57 177.54 1f68 h ALA 795 N 1.04 0.32 -0.33 1.67 0.00 -0.44 0.12 119.26 121.64 1f68 h ALA 795 Ca 0.11 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1f68 h ALA 795 Cb 0.27 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1f68 h ALA 795 CO -0.25 -0.39 0.22 -0.44 0.00 0.00 0.00 179.25 178.38 1f68 h ASP 796 N 0.11 0.39 -0.08 0.00 5.19 -0.41 0.24 116.42 121.86 1f68 h ASP 796 Ca 0.17 -0.02 0.02 0.00 -0.62 0.00 0.00 57.03 56.58 1f68 h ASP 796 Cb 0.22 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.62 1f68 h ASP 796 CO -0.27 0.29 -0.02 0.25 -3.12 0.00 0.00 179.24 176.37 1f68 h LEU 797 N 0.45 -0.08 -0.81 1.55 7.12 -0.25 0.14 115.31 123.42 1f68 h LEU 797 Ca 0.12 0.03 0.10 0.00 0.13 0.00 0.00 57.88 58.26 1f68 h LEU 797 Cb -0.04 0.05 -0.08 0.00 -0.53 0.00 0.00 40.66 40.07 1f68 h LEU 797 CO -0.03 -0.03 0.45 1.56 -0.13 0.00 0.00 178.44 180.26 1f68 h GLN 798 N -0.01 0.72 -0.65 1.25 4.20 -0.59 -1.94 115.11 118.10 1f68 h GLN 798 Ca 0.04 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1f68 h GLN 798 Cb 0.07 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 1f68 h GLN 798 CO -0.09 0.48 0.31 -0.09 -0.67 0.00 0.00 178.83 178.77 1f68 h ARG 799 N 0.74 0.95 -0.07 1.46 2.43 0.66 0.17 114.38 120.71 1f68 h ARG 799 Ca 0.40 -0.14 0.04 0.00 -0.81 0.00 0.00 59.98 59.47 1f68 h ARG 799 Cb 0.41 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 29.74 1f68 h ARG 799 CO -0.27 0.76 -0.26 0.28 -1.51 0.00 0.00 179.97 178.98 1f68 h VAL 800 N 0.91 0.40 0.43 0.20 2.07 -0.05 0.21 116.25 120.41 1f68 h VAL 800 Ca 0.22 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.73 1f68 h VAL 800 Cb 0.13 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1f68 h VAL 800 CO -0.03 0.00 -0.26 0.40 0.02 0.00 0.00 177.57 177.70 1f68 h ILE 801 N -0.35 0.46 -0.03 4.57 2.04 -1.00 0.05 117.51 123.24 1f68 h ILE 801 Ca 0.08 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.98 1f68 h ILE 801 Cb 0.48 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 1f68 h ILE 801 CO -0.28 0.00 -0.25 0.00 0.00 0.00 0.00 178.15 177.62 1f68 h ALA 802 N -0.12 -0.31 -0.42 1.87 0.00 -0.53 -0.22 119.26 119.51 1f68 h ALA 802 Ca -0.05 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1f68 h ALA 802 Cb 0.54 0.45 -0.08 0.00 0.00 0.00 0.00 17.79 18.70 1f68 h ALA 802 CO 0.05 -0.74 -0.07 -0.91 0.00 0.00 0.00 179.25 177.58 1f68 h ASN 803 N -0.37 -0.33 -0.05 0.00 4.21 -0.50 0.19 115.58 118.73 1f68 h ASN 803 Ca 0.07 0.12 0.04 0.00 1.21 0.00 0.00 56.30 57.74 1f68 h ASN 803 Cb 0.47 0.24 -0.05 0.00 -1.12 0.00 0.00 38.32 37.86 1f68 h ASN 803 CO -0.25 -0.12 -0.27 0.00 -1.29 0.00 0.00 177.43 175.51 1f68 h ARG 805 N -0.38 1.21 -0.09 0.00 3.08 -0.21 0.13 114.38 118.12 1f68 h ARG 805 Ca 0.08 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 1f68 h ARG 805 Cb 0.49 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 1f68 h ARG 805 CO -0.27 0.94 0.05 0.93 -1.07 0.00 0.00 179.97 180.55 1f68 h GLU 806 N 1.19 0.12 0.13 0.04 5.08 -0.36 -3.33 114.58 117.46 1f68 h GLU 806 Ca 0.29 -0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 58.40 1f68 h GLU 806 Cb 0.13 -0.02 0.03 0.00 0.50 0.00 0.00 28.75 29.39 1f68 h GLU 806 CO -0.03 0.13 -0.99 -0.92 -1.00 0.00 0.00 179.01 176.20 1f68 h TYR 807 N 0.07 0.74 -2.87 4.33 3.20 -0.59 -3.46 116.97 118.38 1f68 h TYR 807 Ca 0.03 -0.50 -0.64 0.00 3.14 0.00 0.00 58.73 60.76 1f68 h TYR 807 Cb 0.04 -0.05 -0.09 0.00 1.54 0.00 0.00 36.73 38.18 1f68 h TYR 807 CO -0.05 1.36 -0.47 -0.80 -1.64 0.00 0.00 178.16 176.56 1f68 s ASN 808 N -7.14 6.35 0.57 -2.11 0.01 0.42 -5.08 114.94 107.97 1f68 s ASN 808 Ca -0.12 0.41 -0.18 0.00 -0.71 0.00 0.00 52.86 52.26 1f68 s ASN 808 Cb 0.03 -2.09 -0.08 0.00 0.41 0.00 0.00 41.25 39.53 1f68 s ASN 808 CO 0.87 0.32 0.66 -2.65 -1.51 0.00 0.00 177.10 174.79 1f68 n PRO 809 N 2.51 0.63 -1.71 -0.60 -0.02 -1.26 -4.65 135.00 129.90 1f68 n PRO 809 Ca -0.18 0.24 -0.38 0.00 -2.02 0.00 0.00 63.50 61.16 1f68 n PRO 809 Cb 0.54 -1.83 0.05 0.00 -0.02 0.00 0.00 33.50 32.23 1f68 n PRO 809 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1f68 n PRO 810 N -0.32 1.40 -0.79 0.52 -0.04 -1.26 -1.98 135.00 132.53 1f68 n PRO 810 Ca 0.12 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 1f68 n PRO 810 Cb 0.47 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 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 -1.05 -1.48 -4.73 3.54 2.03 -1.26 -5.00 116.55 108.60 1f68 n ASP 811 Ca 0.12 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 55.08 1f68 n ASP 811 Cb 0.45 -1.76 0.07 0.00 -0.72 0.00 0.00 41.12 39.16 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 -2.27 4.54 0.25 1.67 1.04 -0.84 -4.77 113.70 113.32 1f68 s SER 812 Ca 0.00 2.36 -0.04 0.00 0.48 0.00 0.00 55.95 58.74 1f68 s SER 812 Cb 0.00 -2.59 0.47 0.00 0.10 0.00 0.00 66.02 64.00 1f68 s SER 812 CO 0.00 -2.03 1.71 -0.33 0.98 0.00 0.00 173.24 173.57 1f68 h GLU 813 N 0.08 0.35 -0.26 4.02 5.08 -1.94 0.50 114.58 122.41 1f68 h GLU 813 Ca -0.48 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 57.90 1f68 h GLU 813 Cb 1.30 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 30.39 1f68 h GLU 813 CO 0.52 0.23 -0.48 1.88 -1.00 0.00 0.00 179.01 180.16 1f68 h TYR 814 N 0.36 -1.40 -0.52 4.33 -1.99 -1.93 0.18 116.97 116.00 1f68 h TYR 814 Ca 0.42 0.06 -0.02 0.00 2.00 0.00 0.00 58.73 61.19 1f68 h TYR 814 Cb 0.68 0.65 -0.02 0.00 2.00 0.00 0.00 36.73 40.03 1f68 h TYR 814 CO -0.21 -0.49 0.24 0.00 -0.00 0.00 0.00 178.16 177.71 1f68 h ARG 816 N 0.70 0.30 -0.51 0.00 3.08 -0.84 0.19 114.38 117.30 1f68 h ARG 816 Ca 0.18 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1f68 h ARG 816 Cb 0.14 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 1f68 h ARG 816 CO -0.02 0.20 0.33 0.00 -1.07 0.00 0.00 179.97 179.41 1f68 h ALA 818 N 1.18 0.86 -0.15 0.00 0.00 -0.43 0.15 119.26 120.87 1f68 h ALA 818 Ca 0.19 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1f68 h ALA 818 Cb -0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1f68 h ALA 818 CO -0.04 0.17 0.07 0.77 0.00 0.00 0.00 179.25 180.22 1f68 h SER 819 N 0.80 0.11 -0.39 0.00 0.02 -0.19 0.24 113.55 114.15 1f68 h SER 819 Ca 0.27 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.26 1f68 h SER 819 Cb 0.02 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1f68 h SER 819 CO -0.11 0.09 0.18 0.00 -1.14 0.00 0.00 176.83 175.85 1f68 h ALA 820 N 1.07 0.47 -0.65 3.77 0.00 -0.45 0.18 119.26 123.65 1f68 h ALA 820 Ca 0.06 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1f68 h ALA 820 Cb 0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1f68 h ALA 820 CO -0.04 -0.19 0.39 1.25 0.00 0.00 0.00 179.25 180.65 1f68 h LEU 821 N 0.37 0.61 0.13 0.00 5.85 -0.38 0.44 115.31 122.33 1f68 h LEU 821 Ca 0.17 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1f68 h LEU 821 Cb 0.09 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1f68 h LEU 821 CO -0.13 0.41 -0.06 -0.08 -0.34 0.00 0.00 178.44 178.24 1f68 h GLU 822 N 0.74 -0.17 -0.54 1.25 4.81 0.08 0.26 114.58 121.01 1f68 h GLU 822 Ca 0.28 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1f68 h GLU 822 Cb 0.09 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 1f68 h GLU 822 CO -0.14 -0.03 0.33 0.87 -0.73 0.00 0.00 179.01 179.32 1f68 h LYS 823 N -0.28 0.73 -0.45 1.92 1.79 -0.75 0.15 116.57 119.68 1f68 h LYS 823 Ca -0.02 -0.06 0.04 0.00 -2.18 0.00 0.00 60.65 58.43 1f68 h LYS 823 Cb 0.22 -0.16 -0.04 0.00 -1.58 0.00 0.00 32.23 30.68 1f68 h LYS 823 CO 0.03 0.52 0.21 0.35 -1.08 0.00 0.00 179.45 179.49 1f68 h PHE 824 N 0.73 0.39 -0.55 -1.35 3.57 -0.74 -0.21 116.94 118.79 1f68 h PHE 824 Ca 0.20 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.74 1f68 h PHE 824 Cb -0.03 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 1f68 h PHE 824 CO -0.03 0.19 0.33 0.35 -2.23 0.00 0.00 178.31 176.92 1f68 h PHE 825 N 0.43 0.62 -0.21 0.41 3.57 0.12 0.99 116.94 122.87 1f68 h PHE 825 Ca 0.20 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.76 1f68 h PHE 825 Cb 0.12 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.61 1f68 h PHE 825 CO -0.11 0.35 -0.09 1.88 -2.23 0.00 0.00 178.31 178.11 1f68 h TYR 826 N 0.65 -0.22 -0.21 0.41 0.05 -0.23 0.97 116.97 118.40 1f68 h TYR 826 Ca 0.22 0.02 0.05 0.00 0.05 0.00 0.00 58.73 59.07 1f68 h TYR 826 Cb 0.02 0.13 -0.05 0.00 1.01 0.00 0.00 36.73 37.84 1f68 h TYR 826 CO -0.06 -0.15 -0.13 0.35 -1.05 0.00 0.00 178.16 177.12 1f68 h PHE 827 N -0.06 -0.33 -0.15 4.88 3.57 -0.23 0.64 116.94 125.25 1f68 h PHE 827 Ca 0.11 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.68 1f68 h PHE 827 Cb 0.23 0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.10 1f68 h PHE 827 CO -0.26 -0.20 -0.17 0.87 -2.23 0.00 0.00 178.31 176.32 1f68 h LYS 828 N -0.13 -0.20 -0.41 1.11 1.79 -0.38 0.42 116.57 118.76 1f68 h LYS 828 Ca 0.12 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.68 1f68 h LYS 828 Cb 0.30 0.05 -0.07 0.00 -1.58 0.00 0.00 32.23 30.93 1f68 h LYS 828 CO -0.28 -0.13 -0.06 -0.07 -1.08 0.00 0.00 179.45 177.82 1f68 h LEU 829 N -0.21 -0.29 -0.72 2.94 3.38 -0.29 0.12 115.31 120.24 1f68 h LEU 829 Ca 0.10 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.19 1f68 h LEU 829 Cb 0.36 0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 1f68 h LEU 829 CO -0.27 -0.10 0.48 0.11 0.09 0.00 0.00 178.44 178.75 1f68 h LYS 830 N 0.05 0.94 -0.58 1.13 1.79 -0.32 -2.34 116.57 117.24 1f68 h LYS 830 Ca 0.20 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.61 1f68 h LYS 830 Cb 0.30 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 30.71 1f68 h LYS 830 CO -0.39 0.62 0.32 0.93 -1.08 0.00 0.00 179.45 179.86 1f68 h GLU 831 N 0.97 0.80 0.00 3.15 5.08 -0.05 -3.51 114.58 121.02 1f68 h GLU 831 Ca 0.27 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1f68 h GLU 831 Cb -0.10 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 28.99 1f68 h GLU 831 CO -0.06 0.60 0.00 0.41 -1.00 0.00 0.00 179.01 178.96