#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f68 n ASP 731 N 0.00 -1.75 -0.09 1.61 5.75 -1.26 -4.59 116.55 116.22 1f68 n ASP 731 Ca 0.00 -1.07 -0.06 0.00 -0.01 0.00 0.00 54.79 53.65 1f68 n ASP 731 Cb 0.00 -0.81 -0.00 0.00 -1.03 0.00 0.00 41.12 39.28 1f68 n ASP 731 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1f68 h GLN 732 N 0.00 -0.16 0.39 0.11 4.20 -2.05 0.29 115.11 117.90 1f68 h GLN 732 Ca -0.33 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.38 1f68 h GLN 732 Cb 1.01 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.81 1f68 h GLN 732 CO 0.22 -0.10 -0.38 1.25 -0.67 0.00 0.00 178.83 179.14 1f68 h LEU 733 N -0.16 -1.04 -0.47 1.46 5.85 -1.98 0.12 115.31 119.08 1f68 h LEU 733 Ca 0.17 0.09 0.08 0.00 0.84 0.00 0.00 57.88 59.07 1f68 h LEU 733 Cb 0.43 0.35 -0.07 0.00 0.37 0.00 0.00 40.66 41.74 1f68 h LEU 733 CO -0.44 -0.53 0.05 0.22 -0.34 0.00 0.00 178.44 177.39 1f68 h TYR 734 N -0.79 0.06 -0.53 1.25 3.20 -1.81 0.21 116.97 118.56 1f68 h TYR 734 Ca -0.03 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.92 1f68 h TYR 734 Cb 0.71 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.97 1f68 h TYR 734 CO -0.21 -0.05 0.26 1.15 -1.64 0.00 0.00 178.16 177.67 1f68 h THR 735 N 0.17 0.93 -0.29 1.81 2.02 -0.70 0.63 112.91 117.49 1f68 h THR 735 Ca 0.23 -0.17 0.01 0.00 0.77 0.00 0.00 66.41 67.25 1f68 h THR 735 Cb 0.33 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1f68 h THR 735 CO -0.35 0.09 0.18 0.74 0.37 0.00 0.00 175.52 176.56 1f68 h THR 736 N 0.50 1.06 -0.71 3.16 2.02 0.78 -0.35 112.91 119.38 1f68 h THR 736 Ca 0.24 -0.13 0.04 0.00 0.77 0.00 0.00 66.41 67.33 1f68 h THR 736 Cb 0.17 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.18 1f68 h THR 736 CO -0.18 0.07 0.43 -0.07 0.37 0.00 0.00 175.52 176.14 1f68 h LEU 737 N 0.37 0.68 -0.22 2.58 3.38 -0.03 0.23 115.31 122.32 1f68 h LEU 737 Ca 0.11 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1f68 h LEU 737 Cb -0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1f68 h LEU 737 CO -0.03 0.46 0.11 0.50 0.09 0.00 0.00 178.44 179.57 1f68 h LYS 738 N 0.82 0.31 -0.64 1.13 3.64 -0.49 0.89 116.57 122.23 1f68 h LYS 738 Ca 0.30 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.62 1f68 h LYS 738 Cb 0.09 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1f68 h LYS 738 CO -0.14 0.31 0.32 -0.91 -2.27 0.00 0.00 179.45 176.77 1f68 h ASN 739 N 0.23 0.82 0.24 4.20 2.35 -0.60 0.10 115.58 122.92 1f68 h ASN 739 Ca 0.07 -0.12 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1f68 h ASN 739 Cb 0.10 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 1f68 h ASN 739 CO -0.01 0.70 -0.31 0.25 -1.65 0.00 0.00 177.43 176.41 1f68 h LEU 740 N 0.87 -0.87 -0.34 1.61 5.85 -0.36 -0.35 115.31 121.72 1f68 h LEU 740 Ca 0.22 0.09 0.05 0.00 0.84 0.00 0.00 57.88 59.07 1f68 h LEU 740 Cb 0.09 0.31 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 1f68 h LEU 740 CO -0.03 -0.43 0.08 0.25 -0.34 0.00 0.00 178.44 177.97 1f68 h LEU 741 N -0.61 0.04 -0.13 2.25 5.85 -0.60 0.04 115.31 122.14 1f68 h LEU 741 Ca 0.00 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1f68 h LEU 741 Cb 0.59 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 1f68 h LEU 741 CO -0.10 0.06 -0.16 0.00 -0.34 0.00 0.00 178.44 177.89 1f68 h ALA 742 N 1.25 -0.08 -0.11 1.25 0.00 -0.57 0.15 119.26 121.15 1f68 h ALA 742 Ca 0.16 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1f68 h ALA 742 Cb 0.17 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1f68 h ALA 742 CO -0.20 -0.61 -0.08 1.96 0.00 0.00 0.00 179.25 180.32 1f68 h GLN 743 N -0.20 -0.08 -0.19 0.00 4.20 -0.68 0.11 115.11 118.26 1f68 h GLN 743 Ca 0.10 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.86 1f68 h GLN 743 Cb 0.34 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.09 1f68 h GLN 743 CO -0.25 -0.05 -0.11 0.82 -0.67 0.00 0.00 178.83 178.56 1f68 h ILE 744 N -0.08 0.66 -0.60 2.54 2.04 -0.49 0.15 117.51 121.72 1f68 h ILE 744 Ca 0.07 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.90 1f68 h ILE 744 Cb 0.18 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1f68 h ILE 744 CO -0.16 0.00 0.26 0.11 0.00 0.00 0.00 178.15 178.36 1f68 h LYS 745 N -0.10 0.86 -0.53 2.37 1.57 -0.45 -1.93 116.57 118.36 1f68 h LYS 745 Ca 0.11 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1f68 h LYS 745 Cb 0.26 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1f68 h LYS 745 CO -0.26 0.69 0.06 0.77 -0.57 0.00 0.00 179.45 180.15 1f68 h SER 746 N 0.85 0.81 -2.25 0.86 0.02 0.03 -3.43 113.55 110.45 1f68 h SER 746 Ca 0.21 -0.18 -0.57 0.00 -0.84 0.00 0.00 61.79 60.41 1f68 h SER 746 Cb 0.14 -0.22 0.03 0.00 0.14 0.00 0.00 62.40 62.49 1f68 h SER 746 CO -0.02 0.84 1.11 1.57 -1.14 0.00 0.00 176.83 179.20 1f68 n HIS 747 N -4.23 2.44 -0.33 3.45 -0.00 0.46 -4.86 115.22 112.15 1f68 n HIS 747 Ca 0.03 -0.12 0.19 0.00 -0.00 0.00 0.00 57.72 57.82 1f68 n HIS 747 Cb 0.28 -2.71 0.37 0.00 -0.00 0.00 0.00 29.99 27.92 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 9.16 0.03 -1.24 1.57 0.11 -1.85 0.24 132.00 140.03 1f68 h PRO 748 Ca -0.48 -0.00 0.36 0.00 0.11 0.00 0.00 66.00 65.99 1f68 h PRO 748 Cb 1.25 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 1f68 h PRO 748 CO 0.94 0.02 1.15 0.77 -0.21 0.00 0.00 178.00 180.67 1f68 h SER 749 N 0.03 0.00 0.01 -2.05 0.02 -1.89 -0.02 113.55 109.65 1f68 h SER 749 Ca 0.66 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.59 1f68 h SER 749 Cb 1.48 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.01 1f68 h SER 749 CO -0.85 0.00 -0.04 0.00 -1.14 0.00 0.00 176.83 174.79 1f68 h ALA 750 N 0.86 1.79 -0.97 3.77 0.00 -1.15 -3.38 119.26 120.19 1f68 h ALA 750 Ca 0.59 -0.09 0.21 0.00 0.00 0.00 0.00 54.91 55.62 1f68 h ALA 750 Cb 2.89 -0.04 -0.18 0.00 0.00 0.00 0.00 17.79 20.45 1f68 h ALA 750 CO -0.01 0.16 -0.18 0.11 0.00 0.00 0.00 179.25 179.33 1f68 h TRP 751 N 0.10 -0.40 0.00 0.00 5.08 -1.21 0.51 115.95 120.02 1f68 h TRP 751 Ca 0.02 0.08 0.00 0.00 1.08 0.00 0.00 58.89 60.08 1f68 h TRP 751 Cb 0.15 0.33 0.00 0.00 -3.00 0.00 0.00 29.16 26.64 1f68 h TRP 751 CO 0.00 -0.42 0.00 -2.30 -1.28 0.00 0.00 178.44 174.44 1f68 n PRO 752 N -5.58 0.16 -0.03 0.12 -0.02 -1.26 -3.37 135.00 125.02 1f68 n PRO 752 Ca 0.17 0.32 0.01 0.00 -2.02 0.00 0.00 63.50 61.98 1f68 n PRO 752 Cb 0.54 -1.77 0.03 0.00 -0.02 0.00 0.00 33.50 32.29 1f68 n PRO 752 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1f68 n PHE 753 N -2.06 0.07 0.29 6.00 3.72 0.15 -4.76 117.46 120.88 1f68 n PHE 753 Ca 0.03 -0.51 -0.11 0.00 -0.05 0.00 0.00 57.45 56.81 1f68 n PHE 753 Cb 0.26 -0.05 -0.05 0.00 -0.94 0.00 0.00 39.48 38.70 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 0.31 -0.71 -6.69 -1.08 2.86 -1.52 0.11 114.93 108.20 1f68 h MET 754 Ca 0.00 0.05 -0.49 0.00 -2.06 0.00 0.00 59.70 57.20 1f68 h MET 754 Cb 0.55 0.16 0.02 0.00 0.06 0.00 0.00 31.60 32.39 1f68 h MET 754 CO 0.00 -0.47 -0.05 -1.21 1.06 0.00 0.00 176.91 176.24 1f68 s GLU 755 N -4.62 3.55 0.74 1.72 2.02 -1.26 -0.65 118.70 120.20 1f68 s GLU 755 Ca -0.11 -0.03 -0.11 0.00 0.02 0.00 0.00 54.97 54.74 1f68 s GLU 755 Cb 0.01 -2.53 0.04 0.00 0.10 0.00 0.00 34.13 31.75 1f68 s GLU 755 CO 0.33 0.01 1.08 -1.25 0.02 0.00 0.00 175.26 175.44 1f68 s PRO 756 N -4.34 2.52 -0.15 0.39 0.04 -1.26 -4.83 135.00 127.38 1f68 s PRO 756 Ca 0.44 0.90 -0.29 0.00 0.04 0.00 0.00 61.00 62.09 1f68 s PRO 756 Cb -0.10 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 1f68 s PRO 756 CO 0.38 -1.38 1.94 0.08 0.04 0.00 0.00 177.00 178.07 1f68 s VAL 757 N -3.05 3.24 0.52 -0.36 1.01 -1.26 -4.94 120.40 115.57 1f68 s VAL 757 Ca 0.59 0.27 -0.16 0.00 0.00 0.00 0.00 61.98 62.68 1f68 s VAL 757 Cb -0.15 -3.25 -0.08 0.00 0.00 0.00 0.00 36.38 32.90 1f68 s VAL 757 CO 0.55 -0.11 0.99 -0.54 0.00 0.00 0.00 175.10 175.99 1f68 s LYS 758 N 5.24 3.92 0.29 2.72 1.02 -1.26 -4.86 119.74 126.80 1f68 s LYS 758 Ca 0.87 0.96 0.03 0.00 0.02 0.00 0.00 55.97 57.85 1f68 s LYS 758 Cb -0.33 -2.13 0.62 0.00 -0.52 0.00 0.00 37.83 35.47 1f68 s LYS 758 CO 0.35 -0.30 1.81 0.87 -0.92 0.00 0.00 175.35 177.16 1f68 h LYS 759 N 0.87 0.87 -0.34 1.68 1.57 -1.92 0.15 116.57 119.46 1f68 h LYS 759 Ca -0.47 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.29 1f68 h LYS 759 Cb 1.19 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 1f68 h LYS 759 CO 0.61 0.58 0.23 0.66 -0.57 0.00 0.00 179.45 180.96 1f68 h SER 760 N 0.90 0.29 0.03 0.86 4.64 -1.99 -2.15 113.55 116.14 1f68 h SER 760 Ca 0.53 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.80 1f68 h SER 760 Cb 0.64 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1f68 h SER 760 CO -0.31 0.20 -0.18 -0.33 -0.87 0.00 0.00 176.83 175.33 1f68 h GLU 761 N 0.33 0.07 -1.42 4.77 5.08 -1.15 -3.45 114.58 118.81 1f68 h GLU 761 Ca 0.14 -0.12 -0.20 0.00 -1.00 0.00 0.00 59.36 58.19 1f68 h GLU 761 Cb 0.14 0.04 -0.24 0.00 0.50 0.00 0.00 28.75 29.19 1f68 h GLU 761 CO -0.03 1.05 -0.56 0.00 -1.00 0.00 0.00 179.01 178.48 1f68 s ALA 762 N -2.28 -1.51 0.22 3.43 0.00 -0.25 -5.02 121.76 116.34 1f68 s ALA 762 Ca -0.18 -0.33 -0.09 0.00 0.00 0.00 0.00 51.96 51.36 1f68 s ALA 762 Cb -0.02 -2.44 0.32 0.00 0.00 0.00 0.00 23.12 20.98 1f68 s ALA 762 CO 0.72 -2.19 1.69 -1.35 0.00 0.00 0.00 175.76 174.63 1f68 h PRO 763 N 7.00 0.21 -1.18 0.00 0.11 -1.62 0.26 132.00 136.78 1f68 h PRO 763 Ca 0.05 -0.01 0.34 0.00 0.11 0.00 0.00 66.00 66.49 1f68 h PRO 763 Cb 1.12 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.11 1f68 h PRO 763 CO 0.14 0.14 0.81 0.38 -0.21 0.00 0.00 178.00 179.27 1f68 h ASP 764 N 0.22 0.17 -0.99 -2.05 2.03 -1.95 0.22 116.42 114.07 1f68 h ASP 764 Ca 0.33 0.04 0.18 0.00 -0.73 0.00 0.00 57.03 56.85 1f68 h ASP 764 Cb 0.52 0.02 -0.09 0.00 -0.83 0.00 0.00 39.33 38.94 1f68 h ASP 764 CO -0.45 0.01 0.61 0.22 -1.03 0.00 0.00 179.24 178.60 1f68 h TYR 765 N 0.14 0.99 0.00 4.15 3.20 -1.32 0.79 116.97 124.91 1f68 h TYR 765 Ca 0.61 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.51 1f68 h TYR 765 Cb 2.10 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 40.07 1f68 h TYR 765 CO -0.00 0.26 0.00 1.88 -1.64 0.00 0.00 178.16 178.66 1f68 h TYR 766 N 0.74 0.00 0.19 -3.82 -1.99 -1.09 0.43 116.97 111.43 1f68 h TYR 766 Ca 0.54 0.00 -0.31 0.00 2.00 0.00 0.00 58.73 60.97 1f68 h TYR 766 Cb 0.87 0.00 0.02 0.00 2.00 0.00 0.00 36.73 39.63 1f68 h TYR 766 CO -0.00 0.00 -1.35 0.93 -0.00 0.00 0.00 178.16 177.73 1f68 h GLU 767 N 0.00 0.45 0.00 4.88 4.39 -0.94 -3.15 114.58 120.21 1f68 h GLU 767 Ca 0.00 -0.74 -0.00 0.00 0.34 0.00 0.00 59.36 58.96 1f68 h GLU 767 Cb 0.95 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1f68 h GLU 767 CO 0.00 1.35 -0.00 0.28 -1.16 0.00 0.00 179.01 179.48 1f68 h VAL 768 N 0.14 0.00 -0.49 3.13 2.07 -1.06 -3.39 116.25 116.65 1f68 h VAL 768 Ca -0.20 -0.04 -0.72 0.00 0.82 0.00 0.00 66.70 66.56 1f68 h VAL 768 Cb 2.05 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.75 1f68 h VAL 768 CO 0.24 0.00 2.72 -0.38 0.02 0.00 0.00 177.57 180.17 1f68 n ILE 769 N -2.12 3.73 -0.01 4.57 2.08 0.15 -4.74 119.36 123.02 1f68 n ILE 769 Ca -0.00 -3.51 0.22 0.00 0.56 0.00 0.00 62.75 60.02 1f68 n ILE 769 Cb 0.00 -2.52 0.72 0.00 -0.75 0.00 0.00 39.64 37.09 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 6.20 0.00 -2.77 0.38 2.47 -1.74 -3.28 114.38 115.63 1f68 h ARG 770 Ca 0.51 0.00 -0.66 0.00 -1.26 0.00 0.00 59.98 58.57 1f68 h ARG 770 Cb 0.68 0.00 -0.39 0.00 -1.65 0.00 0.00 29.97 28.61 1f68 h ARG 770 CO 1.75 0.00 -0.29 1.19 0.56 0.00 0.00 179.97 183.18 1f68 n PHE 771 N -4.12 3.54 -1.22 3.04 3.72 -1.26 -5.04 117.46 116.12 1f68 n PHE 771 Ca 0.11 -4.00 -0.31 0.00 -0.05 0.00 0.00 57.45 53.21 1f68 n PHE 771 Cb 0.70 -0.81 0.10 0.00 -0.94 0.00 0.00 39.48 38.53 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 -2.01 2.03 0.13 -1.08 0.04 -1.24 -5.01 135.00 127.87 1f68 s PRO 772 Ca 0.32 1.13 -0.24 0.00 0.04 0.00 0.00 61.00 62.25 1f68 s PRO 772 Cb 0.04 -1.87 0.07 0.00 0.04 0.00 0.00 34.50 32.77 1f68 s PRO 772 CO -0.06 -1.79 0.71 -1.50 0.04 0.00 0.00 177.00 174.39 1f68 s ILE 773 N -2.90 0.00 0.06 0.56 1.10 -1.26 -5.09 121.20 113.67 1f68 s ILE 773 Ca 0.62 -0.17 -0.28 0.00 -0.51 0.00 0.00 60.65 60.31 1f68 s ILE 773 Cb -0.18 -1.19 0.09 0.00 0.15 0.00 0.00 42.46 41.34 1f68 s ILE 773 CO 0.56 0.00 1.03 1.51 -2.11 0.00 0.00 174.94 175.93 1f68 s ASP 774 N -2.72 -0.19 0.19 4.50 1.47 -1.26 -4.81 116.67 113.85 1f68 s ASP 774 Ca 0.04 -0.23 -0.06 0.00 1.18 0.00 0.00 52.55 53.48 1f68 s ASP 774 Cb -0.02 0.37 0.12 0.00 -0.34 0.00 0.00 42.92 43.05 1f68 s ASP 774 CO -0.09 -0.67 1.59 -0.07 0.68 0.00 0.00 175.17 176.61 1f68 h LEU 775 N 2.00 0.85 0.14 2.11 3.38 -0.74 0.20 115.31 123.24 1f68 h LEU 775 Ca -0.24 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.42 1f68 h LEU 775 Cb 1.22 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1f68 h LEU 775 CO 0.27 1.07 -0.24 0.50 0.09 0.00 0.00 178.44 180.12 1f68 h LYS 776 N 0.71 -0.44 -0.94 1.13 3.64 -1.08 0.10 116.57 119.69 1f68 h LYS 776 Ca 0.09 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1f68 h LYS 776 Cb 0.80 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.67 1f68 h LYS 776 CO 0.07 -0.29 0.62 1.15 -2.27 0.00 0.00 179.45 178.72 1f68 h THR 777 N -0.46 1.16 -0.72 1.00 2.02 -1.70 0.72 112.91 114.93 1f68 h THR 777 Ca 0.02 -0.41 0.04 0.00 0.77 0.00 0.00 66.41 66.84 1f68 h THR 777 Cb 0.47 -0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 66.70 1f68 h THR 777 CO -0.12 0.22 0.44 0.24 0.37 0.00 0.00 175.52 176.66 1f68 h MET 778 N 1.19 0.81 -0.45 6.66 2.86 -0.19 0.12 114.93 125.92 1f68 h MET 778 Ca 0.37 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 58.00 1f68 h MET 778 Cb 0.01 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.45 1f68 h MET 778 CO -0.11 0.53 0.24 1.15 1.06 0.00 0.00 176.91 179.78 1f68 h THR 779 N 0.83 1.00 -0.53 2.22 2.02 0.13 0.18 112.91 118.76 1f68 h THR 779 Ca 0.30 -0.17 0.06 0.00 0.77 0.00 0.00 66.41 67.37 1f68 h THR 779 Cb 0.09 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 66.92 1f68 h THR 779 CO -0.14 0.09 0.24 -0.33 0.37 0.00 0.00 175.52 175.75 1f68 h GLU 780 N 0.49 0.45 -0.72 6.66 5.08 -0.31 0.89 114.58 127.12 1f68 h GLU 780 Ca 0.19 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1f68 h GLU 780 Cb 0.07 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1f68 h GLU 780 CO -0.12 0.30 0.39 0.00 -1.00 0.00 0.00 179.01 178.58 1f68 h ARG 781 N 0.47 1.01 -0.15 2.33 3.08 -0.04 0.14 114.38 121.21 1f68 h ARG 781 Ca 0.24 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 1f68 h ARG 781 Cb 0.19 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1f68 h ARG 781 CO -0.20 0.76 0.08 1.25 -1.07 0.00 0.00 179.97 180.79 1f68 h LEU 782 N 0.99 0.19 -0.92 3.04 5.85 -0.15 0.30 115.31 124.62 1f68 h LEU 782 Ca 0.25 -0.08 0.12 0.00 0.84 0.00 0.00 57.88 59.01 1f68 h LEU 782 Cb 0.05 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 40.94 1f68 h LEU 782 CO -0.04 0.22 0.55 0.03 -0.34 0.00 0.00 178.44 178.86 1f68 h ARG 783 N 0.15 0.83 -0.09 1.25 3.08 -0.50 0.45 114.38 119.55 1f68 h ARG 783 Ca 0.05 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1f68 h ARG 783 Cb 0.07 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.93 1f68 h ARG 783 CO -0.01 0.55 0.00 0.43 -1.07 0.00 0.00 179.97 179.87 1f68 n SER 784 N -4.71 0.09 -3.05 7.04 7.64 0.47 -4.87 113.62 116.23 1f68 n SER 784 Ca 0.17 -1.93 -0.22 0.00 1.01 0.00 0.00 58.87 57.90 1f68 n SER 784 Cb 0.36 -0.05 0.02 0.00 -1.01 0.00 0.00 64.21 63.54 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 -0.45 -4.38 0.02 1.43 5.12 0.15 -4.90 116.66 113.65 1f68 n ARG 785 Ca 0.00 0.81 -0.12 0.00 -1.93 0.00 0.00 57.85 56.62 1f68 n ARG 785 Cb 0.02 -5.63 -0.07 0.00 -1.16 0.00 0.00 32.46 25.62 1f68 n ARG 785 CO 0.00 0.00 0.00 -0.92 -1.93 0.00 0.00 177.63 174.78 1f68 h TYR 786 N -1.20 0.03 0.00 -1.55 5.03 -1.16 -3.36 116.97 114.76 1f68 h TYR 786 Ca -0.50 -0.00 -0.68 0.00 2.58 0.00 0.00 58.73 60.13 1f68 h TYR 786 Cb 1.35 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 39.61 1f68 h TYR 786 CO 0.57 0.09 3.18 0.66 -1.32 0.00 0.00 178.16 181.33 1f68 n TYR 787 N -5.04 2.99 0.27 -3.82 4.01 -1.26 -4.65 117.16 109.66 1f68 n TYR 787 Ca -0.07 -2.82 0.12 0.00 -0.16 0.00 0.00 57.90 54.98 1f68 n TYR 787 Cb 0.06 -2.40 0.78 0.00 -0.31 0.00 0.00 39.34 37.47 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 0.69 -3.93 -0.72 -1.51 -1.99 -3.42 116.25 109.18 1f68 h VAL 788 Ca 0.62 -0.20 -0.27 0.00 -1.23 0.00 0.00 66.70 65.61 1f68 h VAL 788 Cb 0.54 1.12 -0.24 0.00 -2.13 0.00 0.00 31.29 30.58 1f68 h VAL 788 CO 1.86 0.05 -0.74 0.42 -1.23 0.00 0.00 177.57 177.93 1f68 s THR 789 N -4.60 0.40 0.53 7.19 -4.23 -1.26 -5.04 115.64 108.63 1f68 s THR 789 Ca -0.04 -0.69 0.21 0.00 -1.18 0.00 0.00 61.69 59.98 1f68 s THR 789 Cb 0.15 -0.43 0.32 0.00 1.34 0.00 0.00 72.50 73.88 1f68 s THR 789 CO 0.59 -0.20 2.10 -0.09 -0.54 0.00 0.00 174.62 176.48 1f68 h ARG 790 N 5.14 0.00 -0.99 3.99 2.43 -1.99 -0.73 114.38 122.23 1f68 h ARG 790 Ca -0.32 0.00 0.19 0.00 -0.81 0.00 0.00 59.98 59.05 1f68 h ARG 790 Cb 1.20 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.64 1f68 h ARG 790 CO 0.45 0.00 0.59 -0.22 -1.51 0.00 0.00 179.97 179.28 1f68 h LYS 791 N 0.00 0.70 -0.48 0.20 1.63 -1.97 0.15 116.57 116.81 1f68 h LYS 791 Ca 0.09 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.74 1f68 h LYS 791 Cb 0.37 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.82 1f68 h LYS 791 CO -0.00 0.46 -0.13 -0.07 -3.45 0.00 0.00 179.45 176.26 1f68 h LEU 792 N 0.72 0.90 -0.23 5.20 3.38 -1.52 0.61 115.31 124.36 1f68 h LEU 792 Ca 0.58 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 1f68 h LEU 792 Cb 0.92 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1f68 h LEU 792 CO -0.40 1.04 0.14 0.15 0.09 0.00 0.00 178.44 179.46 1f68 h PHE 793 N 0.80 0.30 -0.07 1.13 3.04 -0.89 0.34 116.94 121.59 1f68 h PHE 793 Ca 0.12 0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.12 1f68 h PHE 793 Cb 0.66 -0.10 -0.05 0.00 2.56 0.00 0.00 35.95 39.02 1f68 h PHE 793 CO 0.04 0.23 -0.27 0.28 -2.02 0.00 0.00 178.31 176.56 1f68 h VAL 794 N 0.29 0.38 -0.15 1.41 2.07 -0.60 0.45 116.25 120.10 1f68 h VAL 794 Ca 0.08 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.65 1f68 h VAL 794 Cb 0.01 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.09 1f68 h VAL 794 CO -0.02 0.00 -0.32 0.00 0.02 0.00 0.00 177.57 177.26 1f68 h ALA 795 N 0.48 -0.36 -0.11 1.67 0.00 -0.48 0.77 119.26 121.23 1f68 h ALA 795 Ca 0.08 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1f68 h ALA 795 Cb 0.50 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1f68 h ALA 795 CO -0.28 -0.79 0.06 -0.44 0.00 0.00 0.00 179.25 177.80 1f68 h ASP 796 N -0.38 0.10 -0.49 0.00 5.19 -0.67 0.24 116.42 120.40 1f68 h ASP 796 Ca 0.10 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.43 1f68 h ASP 796 Cb 0.54 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.01 1f68 h ASP 796 CO -0.36 0.07 -0.01 0.25 -3.12 0.00 0.00 179.24 176.07 1f68 h LEU 797 N 0.13 0.86 -1.46 1.55 6.46 -0.63 0.12 115.31 122.33 1f68 h LEU 797 Ca 0.04 -0.31 -0.02 0.00 -0.12 0.00 0.00 57.88 57.47 1f68 h LEU 797 Cb -0.00 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.68 1f68 h LEU 797 CO -0.02 0.96 0.11 1.56 -0.62 0.00 0.00 178.44 180.44 1f68 h GLN 798 N 0.74 0.47 -0.65 1.25 4.20 -0.70 0.30 115.11 120.72 1f68 h GLN 798 Ca 0.14 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1f68 h GLN 798 Cb 0.53 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 1f68 h GLN 798 CO 0.03 0.41 0.38 -0.09 -0.67 0.00 0.00 178.83 178.89 1f68 h ARG 799 N 0.47 0.88 0.08 1.46 2.43 0.79 0.14 114.38 120.63 1f68 h ARG 799 Ca 0.12 -0.09 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1f68 h ARG 799 Cb 0.13 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1f68 h ARG 799 CO -0.01 0.64 -0.16 0.28 -1.51 0.00 0.00 179.97 179.22 1f68 h VAL 800 N 0.88 0.64 -0.13 0.20 2.07 0.40 0.19 116.25 120.50 1f68 h VAL 800 Ca 0.23 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.79 1f68 h VAL 800 Cb -0.00 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1f68 h VAL 800 CO -0.04 0.00 -0.11 0.40 0.02 0.00 0.00 177.57 177.84 1f68 h ILE 801 N -0.30 0.69 -0.19 4.57 2.04 -0.69 0.13 117.51 123.76 1f68 h ILE 801 Ca 0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.93 1f68 h ILE 801 Cb 0.32 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 1f68 h ILE 801 CO -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 178.15 177.95 1f68 h ALA 802 N 0.97 0.05 -0.14 1.87 0.00 -0.59 0.44 119.26 121.86 1f68 h ALA 802 Ca 0.09 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1f68 h ALA 802 Cb 0.25 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1f68 h ALA 802 CO -0.21 -0.53 0.10 -0.91 0.00 0.00 0.00 179.25 177.71 1f68 h ASN 803 N -0.09 0.00 0.26 0.00 4.21 0.07 0.16 115.58 120.20 1f68 h ASN 803 Ca 0.11 -0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.60 1f68 h ASN 803 Cb 0.25 -0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.45 1f68 h ASN 803 CO -0.25 0.00 -0.13 0.00 -1.29 0.00 0.00 177.43 175.77 1f68 h ARG 805 N -0.65 1.25 0.00 0.00 3.08 -0.25 0.18 114.38 117.99 1f68 h ARG 805 Ca -0.04 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1f68 h ARG 805 Cb 0.27 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 1f68 h ARG 805 CO 0.06 0.83 -0.03 0.93 -1.07 0.00 0.00 179.97 180.70 1f68 h GLU 806 N 1.29 0.00 0.00 0.04 4.39 -0.90 -3.13 114.58 116.27 1f68 h GLU 806 Ca 0.35 0.00 -0.41 0.00 0.34 0.00 0.00 59.36 59.64 1f68 h GLU 806 Cb -0.14 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.44 1f68 h GLU 806 CO -0.07 0.03 -2.44 0.98 -1.16 0.00 0.00 179.01 176.34 1f68 n TYR 807 N -3.26 0.00 -3.36 4.33 9.36 -0.57 -5.00 117.16 118.66 1f68 n TYR 807 Ca -0.02 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.83 1f68 n TYR 807 Cb 0.17 -0.95 -0.06 0.00 -0.63 0.00 0.00 39.34 37.87 1f68 n TYR 807 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 1f68 s ASN 808 N -6.86 6.61 0.31 2.98 0.01 0.51 -5.05 114.94 113.45 1f68 s ASN 808 Ca -0.35 0.73 -0.27 0.00 -0.71 0.00 0.00 52.86 52.26 1f68 s ASN 808 Cb 0.11 -2.26 -0.14 0.00 0.41 0.00 0.00 41.25 39.37 1f68 s ASN 808 CO 0.52 0.01 0.85 -2.65 -1.51 0.00 0.00 177.10 174.32 1f68 n PRO 809 N 3.75 1.00 -0.31 -0.60 -0.02 -1.26 -4.56 135.00 133.01 1f68 n PRO 809 Ca -0.08 0.35 0.14 0.00 -2.02 0.00 0.00 63.50 61.89 1f68 n PRO 809 Cb 0.52 -1.66 0.29 0.00 -0.02 0.00 0.00 33.50 32.62 1f68 n PRO 809 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1f68 h PRO 810 N 1.59 0.13 -5.07 0.52 0.11 -1.97 -2.92 132.00 124.38 1f68 h PRO 810 Ca -0.38 -0.01 -0.68 0.00 0.11 0.00 0.00 66.00 65.04 1f68 h PRO 810 Cb 1.37 -0.03 -0.17 0.00 0.11 0.00 0.00 31.00 32.28 1f68 h PRO 810 CO 0.58 0.08 0.64 0.34 -0.21 0.00 0.00 178.00 179.44 1f68 s ASP 811 N -5.05 6.45 0.09 -2.05 2.15 -1.26 -4.41 116.67 112.59 1f68 s ASP 811 Ca -0.12 -1.69 -0.19 0.00 0.43 0.00 0.00 52.55 50.98 1f68 s ASP 811 Cb 0.27 -2.39 0.04 0.00 -0.30 0.00 0.00 42.92 40.54 1f68 s ASP 811 CO 0.77 -1.16 0.45 -0.94 -0.17 0.00 0.00 175.17 174.12 1f68 s SER 812 N 3.60 -0.33 0.21 -0.34 1.04 -1.10 -4.97 113.70 111.80 1f68 s SER 812 Ca 0.27 -0.09 -0.10 0.00 0.48 0.00 0.00 55.95 56.50 1f68 s SER 812 Cb -0.11 0.48 0.28 0.00 0.10 0.00 0.00 66.02 66.78 1f68 s SER 812 CO -0.02 -0.79 1.72 -0.33 0.98 0.00 0.00 173.24 174.80 1f68 h GLU 813 N 2.57 0.30 -0.25 4.02 4.39 -1.93 0.98 114.58 124.66 1f68 h GLU 813 Ca -0.33 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.39 1f68 h GLU 813 Cb 1.24 -0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.75 1f68 h GLU 813 CO 0.44 0.20 -0.55 1.88 -1.16 0.00 0.00 179.01 179.82 1f68 h TYR 814 N 0.31 -1.64 -0.18 4.33 -1.99 -1.96 0.14 116.97 115.98 1f68 h TYR 814 Ca 0.31 0.07 -0.11 0.00 2.00 0.00 0.00 58.73 60.99 1f68 h TYR 814 Cb 0.43 0.75 -0.01 0.00 2.00 0.00 0.00 36.73 39.89 1f68 h TYR 814 CO -0.21 -0.52 -0.38 0.00 -0.00 0.00 0.00 178.16 177.05 1f68 h ARG 816 N 0.33 0.34 -0.52 0.00 2.47 -0.74 -0.14 114.38 116.13 1f68 h ARG 816 Ca 0.03 -0.08 0.03 0.00 -1.26 0.00 0.00 59.98 58.70 1f68 h ARG 816 Cb 0.82 -0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 29.06 1f68 h ARG 816 CO 0.07 0.46 0.29 0.00 0.56 0.00 0.00 179.97 181.35 1f68 h ALA 818 N 1.25 0.83 -0.21 0.00 0.00 -0.48 0.16 119.26 120.81 1f68 h ALA 818 Ca 0.22 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1f68 h ALA 818 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1f68 h ALA 818 CO -0.12 -0.01 0.13 0.77 0.00 0.00 0.00 179.25 180.01 1f68 h SER 819 N 0.61 0.21 -0.45 0.00 0.02 -0.02 0.24 113.55 114.15 1f68 h SER 819 Ca 0.28 -0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.26 1f68 h SER 819 Cb 0.20 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 1f68 h SER 819 CO -0.19 0.15 0.25 0.00 -1.14 0.00 0.00 176.83 175.91 1f68 h ALA 820 N 1.08 0.58 -0.22 3.77 0.00 -0.32 0.67 119.26 124.83 1f68 h ALA 820 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1f68 h ALA 820 Cb -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1f68 h ALA 820 CO -0.03 -0.08 0.11 1.25 0.00 0.00 0.00 179.25 180.51 1f68 h LEU 821 N 0.51 0.17 0.28 0.00 5.85 -0.43 -0.02 115.31 121.67 1f68 h LEU 821 Ca 0.19 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 1f68 h LEU 821 Cb 0.05 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1f68 h LEU 821 CO -0.10 0.13 -0.24 -0.08 -0.34 0.00 0.00 178.44 177.80 1f68 h GLU 822 N 0.24 -0.52 0.13 1.25 4.81 -0.14 0.23 114.58 120.58 1f68 h GLU 822 Ca 0.09 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1f68 h GLU 822 Cb 0.02 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1f68 h GLU 822 CO -0.06 -0.35 -0.18 0.87 -0.73 0.00 0.00 179.01 178.57 1f68 h LYS 823 N -0.54 -0.34 -0.34 1.92 1.57 -0.76 0.13 116.57 118.21 1f68 h LYS 823 Ca -0.01 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 1f68 h LYS 823 Cb 0.48 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.83 1f68 h LYS 823 CO -0.03 -0.23 0.05 0.35 -0.57 0.00 0.00 179.45 179.02 1f68 h PHE 824 N -0.36 0.08 0.00 -1.35 3.57 -0.87 0.16 116.94 118.18 1f68 h PHE 824 Ca 0.02 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.56 1f68 h PHE 824 Cb 0.36 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1f68 h PHE 824 CO -0.16 -0.00 -0.10 0.35 -2.23 0.00 0.00 178.31 176.16 1f68 h PHE 825 N 0.16 -0.27 -0.60 0.41 3.57 -0.25 0.95 116.94 120.91 1f68 h PHE 825 Ca 0.16 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.70 1f68 h PHE 825 Cb 0.19 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 1f68 h PHE 825 CO -0.20 -0.16 0.37 1.88 -2.23 0.00 0.00 178.31 177.97 1f68 h TYR 826 N -0.18 0.69 -0.24 0.41 0.05 -0.37 0.33 116.97 117.66 1f68 h TYR 826 Ca 0.04 0.02 0.06 0.00 0.05 0.00 0.00 58.73 58.90 1f68 h TYR 826 Cb 0.23 -0.23 -0.07 0.00 1.01 0.00 0.00 36.73 37.68 1f68 h TYR 826 CO -0.17 0.40 -0.20 0.35 -1.05 0.00 0.00 178.16 177.49 1f68 h PHE 827 N 0.73 -0.52 -0.27 4.88 3.57 -0.60 -0.18 116.94 124.55 1f68 h PHE 827 Ca 0.24 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 1f68 h PHE 827 Cb 0.02 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1f68 h PHE 827 CO -0.05 -0.28 0.11 0.87 -2.23 0.00 0.00 178.31 176.73 1f68 h LYS 828 N -0.20 0.37 -0.29 1.11 1.79 0.68 0.26 116.57 120.29 1f68 h LYS 828 Ca 0.14 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.53 1f68 h LYS 828 Cb 0.41 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 1f68 h LYS 828 CO -0.36 0.31 0.05 -0.07 -1.08 0.00 0.00 179.45 178.30 1f68 h LEU 829 N 0.37 0.45 -0.93 2.94 3.38 0.22 -3.05 115.31 118.69 1f68 h LEU 829 Ca 0.09 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 1f68 h LEU 829 Cb 0.08 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1f68 h LEU 829 CO -0.01 0.60 0.22 0.11 0.09 0.00 0.00 178.44 179.45 1f68 h LYS 830 N 0.29 1.00 0.00 1.13 1.57 -0.24 -3.46 116.57 116.86 1f68 h LYS 830 Ca 0.09 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1f68 h LYS 830 Cb 0.34 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1f68 h LYS 830 CO 0.01 0.84 0.00 0.39 -0.57 0.00 0.00 179.45 180.12 1f68 n GLU 831 N -4.28 0.00 0.00 3.15 1.02 0.83 -5.10 120.64 116.27 1f68 n GLU 831 Ca 0.05 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.22 1f68 n GLU 831 Cb 0.20 0.00 0.15 0.00 -0.02 0.00 0.00 31.44 31.78 1f68 n GLU 831 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72