#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 -0.50 -0.17 1.61 3.58 -2.04 0.79 116.42 119.69 1f68 h ASP 731 Ca 0.00 0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.52 1f68 h ASP 731 Cb 0.00 0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1f68 h ASP 731 CO 0.00 -0.25 0.10 1.56 -2.88 0.00 0.00 179.24 177.78 1f68 h GLN 732 N -0.32 0.21 0.15 0.28 7.50 -2.05 0.72 115.11 121.61 1f68 h GLN 732 Ca 0.04 -0.01 0.01 0.00 0.50 0.00 0.00 58.65 59.18 1f68 h GLN 732 Cb 0.36 -0.05 -0.05 0.00 0.05 0.00 0.00 27.48 27.79 1f68 h GLN 732 CO -0.13 0.14 -0.53 1.25 -1.50 0.00 0.00 178.83 178.07 1f68 h LEU 733 N 0.21 -1.58 -0.47 1.46 5.85 -1.96 0.66 115.31 119.49 1f68 h LEU 733 Ca 0.07 0.16 0.09 0.00 0.84 0.00 0.00 57.88 59.04 1f68 h LEU 733 Cb -0.01 0.58 -0.07 0.00 0.37 0.00 0.00 40.66 41.52 1f68 h LEU 733 CO -0.03 -0.57 0.02 0.22 -0.34 0.00 0.00 178.44 177.75 1f68 h TYR 734 N -0.77 0.01 -0.53 1.25 3.20 -0.52 0.85 116.97 120.46 1f68 h TYR 734 Ca -0.01 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 1f68 h TYR 734 Cb 0.77 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.08 1f68 h TYR 734 CO -0.44 -0.08 0.33 1.15 -1.64 0.00 0.00 178.16 177.48 1f68 h THR 735 N 0.14 1.15 0.04 1.81 2.02 -0.61 0.15 112.91 117.61 1f68 h THR 735 Ca 0.24 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1f68 h THR 735 Cb 0.34 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1f68 h THR 735 CO -0.37 0.15 -0.04 0.74 0.37 0.00 0.00 175.52 176.37 1f68 h THR 736 N 0.71 0.92 -0.57 3.16 2.02 0.38 0.04 112.91 119.56 1f68 h THR 736 Ca 0.19 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.41 1f68 h THR 736 Cb -0.04 0.92 -0.05 0.00 -1.74 0.00 0.00 68.15 67.25 1f68 h THR 736 CO -0.04 0.00 0.32 -0.07 0.37 0.00 0.00 175.52 176.10 1f68 h LEU 737 N -0.08 0.48 -0.22 2.58 3.38 -0.55 0.14 115.31 121.04 1f68 h LEU 737 Ca 0.00 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1f68 h LEU 737 Cb 0.08 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1f68 h LEU 737 CO -0.01 0.33 0.06 0.50 0.09 0.00 0.00 178.44 179.41 1f68 h LYS 738 N 0.61 0.16 -0.46 1.13 3.64 -0.42 0.16 116.57 121.39 1f68 h LYS 738 Ca 0.25 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1f68 h LYS 738 Cb 0.11 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1f68 h LYS 738 CO -0.15 0.10 0.25 -0.91 -2.27 0.00 0.00 179.45 176.48 1f68 h ASN 739 N 0.16 0.57 0.20 4.20 2.35 -0.44 0.14 115.58 122.76 1f68 h ASN 739 Ca 0.10 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1f68 h ASN 739 Cb 0.08 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1f68 h ASN 739 CO -0.11 0.50 -0.13 0.25 -1.65 0.00 0.00 177.43 176.28 1f68 h LEU 740 N 0.60 -0.33 -0.41 1.61 5.85 -0.40 -0.56 115.31 121.67 1f68 h LEU 740 Ca 0.16 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.94 1f68 h LEU 740 Cb 0.05 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1f68 h LEU 740 CO -0.03 -0.21 0.19 0.25 -0.34 0.00 0.00 178.44 178.30 1f68 h LEU 741 N -0.33 0.27 -0.02 2.25 5.85 -0.54 0.77 115.31 123.57 1f68 h LEU 741 Ca -0.02 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1f68 h LEU 741 Cb 0.28 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1f68 h LEU 741 CO 0.01 0.20 -0.19 0.00 -0.34 0.00 0.00 178.44 178.12 1f68 h ALA 742 N 1.22 -0.23 -0.13 1.25 0.00 -0.52 0.14 119.26 120.99 1f68 h ALA 742 Ca 0.18 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1f68 h ALA 742 Cb 0.10 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1f68 h ALA 742 CO -0.13 -0.68 -0.06 1.96 0.00 0.00 0.00 179.25 180.34 1f68 h GLN 743 N -0.30 -0.04 -0.33 0.00 4.20 -0.74 0.14 115.11 118.04 1f68 h GLN 743 Ca 0.06 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.85 1f68 h GLN 743 Cb 0.38 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.09 1f68 h GLN 743 CO -0.19 -0.02 -0.21 0.82 -0.67 0.00 0.00 178.83 178.56 1f68 h ILE 744 N -0.04 0.42 -0.39 2.54 1.08 -0.45 0.11 117.51 120.79 1f68 h ILE 744 Ca 0.07 0.00 -0.11 0.00 -0.39 0.00 0.00 64.86 64.43 1f68 h ILE 744 Cb 0.15 0.42 -0.01 0.00 -3.07 0.00 0.00 36.82 34.30 1f68 h ILE 744 CO -0.16 0.00 -0.22 0.11 -0.69 0.00 0.00 178.15 177.19 1f68 h LYS 745 N -0.17 0.76 -0.79 2.37 1.57 -0.41 -2.88 116.57 117.03 1f68 h LYS 745 Ca 0.17 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1f68 h LYS 745 Cb 0.43 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 1f68 h LYS 745 CO -0.43 0.91 0.39 0.77 -0.57 0.00 0.00 179.45 180.52 1f68 h SER 746 N 0.67 1.03 -1.86 0.86 0.02 -0.15 -3.42 113.55 110.70 1f68 h SER 746 Ca 0.09 -0.13 -0.61 0.00 -0.84 0.00 0.00 61.79 60.30 1f68 h SER 746 Cb 0.73 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 63.01 1f68 h SER 746 CO 0.06 0.88 1.31 1.57 -1.14 0.00 0.00 176.83 179.50 1f68 n HIS 747 N -4.36 2.09 -0.32 3.45 -0.00 0.33 -4.85 115.22 111.56 1f68 n HIS 747 Ca 0.07 -0.04 0.18 0.00 -0.00 0.00 0.00 57.72 57.94 1f68 n HIS 747 Cb 0.13 -2.68 0.36 0.00 -0.00 0.00 0.00 29.99 27.81 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 11.92 0.11 -0.66 1.57 0.11 -1.85 -0.09 132.00 143.10 1f68 h PRO 748 Ca -0.42 -0.01 0.19 0.00 0.11 0.00 0.00 66.00 65.88 1f68 h PRO 748 Cb 1.27 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 1f68 h PRO 748 CO 0.97 0.07 0.91 0.77 -0.21 0.00 0.00 178.00 180.51 1f68 h SER 749 N 0.11 0.00 -0.61 -2.05 0.02 -1.89 0.26 113.55 109.39 1f68 h SER 749 Ca 0.64 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 61.70 1f68 h SER 749 Cb 1.41 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.92 1f68 h SER 749 CO -0.76 0.00 0.41 0.00 -1.14 0.00 0.00 176.83 175.34 1f68 h ALA 750 N 0.81 2.07 -0.93 3.77 0.00 -1.21 -3.37 119.26 120.40 1f68 h ALA 750 Ca 0.32 -0.01 0.23 0.00 0.00 0.00 0.00 54.91 55.44 1f68 h ALA 750 Cb 2.13 -0.07 -0.18 0.00 0.00 0.00 0.00 17.79 19.68 1f68 h ALA 750 CO -0.00 -0.22 -0.09 -2.67 0.00 0.00 0.00 179.25 176.27 1f68 n TRP 751 N -4.46 0.48 0.39 0.00 4.27 0.08 -0.84 117.44 117.35 1f68 n TRP 751 Ca 0.10 1.13 0.14 0.00 -3.89 0.00 0.00 57.50 54.98 1f68 n TRP 751 Cb 0.41 -1.13 0.49 0.00 -1.36 0.00 0.00 31.31 29.72 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 -0.23 -2.67 0.11 -1.86 -3.24 132.00 124.11 1f68 h PRO 752 Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 1f68 h PRO 752 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1f68 h PRO 752 CO -0.91 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.07 1f68 n PHE 753 N -2.60 0.53 0.09 0.65 3.72 -0.02 -4.74 117.46 115.09 1f68 n PHE 753 Ca 0.03 -0.69 -0.04 0.00 -0.05 0.00 0.00 57.45 56.70 1f68 n PHE 753 Cb 0.33 -0.15 -0.02 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 1.46 -0.23 -6.66 -1.08 2.86 -1.58 -0.43 114.93 109.28 1f68 h MET 754 Ca 0.00 0.02 -0.51 0.00 -2.06 0.00 0.00 59.70 57.15 1f68 h MET 754 Cb 0.99 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.70 1f68 h MET 754 CO 0.08 -0.15 -0.03 -1.21 1.06 0.00 0.00 176.91 176.66 1f68 s GLU 755 N -3.36 3.68 0.70 1.72 0.41 -1.26 -0.55 118.70 120.04 1f68 s GLU 755 Ca -0.03 0.19 -0.11 0.00 -0.41 0.00 0.00 54.97 54.60 1f68 s GLU 755 Cb 0.00 -2.53 0.02 0.00 -1.78 0.00 0.00 34.13 29.84 1f68 s GLU 755 CO 0.10 0.09 1.07 -1.25 -0.49 0.00 0.00 175.26 174.78 1f68 s PRO 756 N -3.77 2.79 0.07 0.39 0.04 -1.26 -4.87 135.00 128.39 1f68 s PRO 756 Ca 0.47 1.05 -0.31 0.00 0.04 0.00 0.00 61.00 62.25 1f68 s PRO 756 Cb -0.10 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 1f68 s PRO 756 CO 0.32 -1.22 1.66 0.08 0.04 0.00 0.00 177.00 177.88 1f68 s VAL 757 N -2.92 3.03 0.34 -0.36 1.01 -1.26 -4.96 120.40 115.27 1f68 s VAL 757 Ca 0.60 0.47 -0.13 0.00 0.00 0.00 0.00 61.98 62.92 1f68 s VAL 757 Cb -0.15 -3.30 -0.08 0.00 0.00 0.00 0.00 36.38 32.84 1f68 s VAL 757 CO 0.53 -0.00 0.72 -0.54 0.00 0.00 0.00 175.10 175.81 1f68 s LYS 758 N 2.68 3.92 0.41 2.72 1.02 -1.26 -4.89 119.74 124.33 1f68 s LYS 758 Ca 0.74 0.57 0.10 0.00 0.02 0.00 0.00 55.97 57.40 1f68 s LYS 758 Cb -0.40 -2.44 0.91 0.00 -0.52 0.00 0.00 37.83 35.38 1f68 s LYS 758 CO 0.32 0.12 1.99 0.87 -0.92 0.00 0.00 175.35 177.73 1f68 h LYS 759 N 2.00 0.52 -0.50 1.68 1.57 -1.93 0.16 116.57 120.08 1f68 h LYS 759 Ca -0.48 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.29 1f68 h LYS 759 Cb 1.18 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.34 1f68 h LYS 759 CO 0.65 0.35 0.33 0.66 -0.57 0.00 0.00 179.45 180.87 1f68 h SER 760 N 0.54 0.54 0.04 0.86 4.64 -1.98 -2.09 113.55 116.10 1f68 h SER 760 Ca 0.26 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.51 1f68 h SER 760 Cb 0.33 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1f68 h SER 760 CO -0.08 0.39 -0.25 -0.33 -0.87 0.00 0.00 176.83 175.68 1f68 h GLU 761 N 0.64 0.09 -1.33 4.77 5.08 -1.15 -3.45 114.58 119.23 1f68 h GLU 761 Ca 0.19 -0.16 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 1f68 h GLU 761 Cb -0.00 0.06 -0.24 0.00 0.50 0.00 0.00 28.75 29.07 1f68 h GLU 761 CO -0.05 1.08 -0.50 0.00 -1.00 0.00 0.00 179.01 178.54 1f68 s ALA 762 N -2.29 -1.76 0.16 3.43 0.00 -0.10 -5.02 121.76 116.19 1f68 s ALA 762 Ca -0.17 0.10 -0.14 0.00 0.00 0.00 0.00 51.96 51.75 1f68 s ALA 762 Cb -0.02 -2.45 0.04 0.00 0.00 0.00 0.00 23.12 20.70 1f68 s ALA 762 CO 0.73 -2.06 1.73 -1.00 0.00 0.00 0.00 175.76 175.16 1f68 h PRO 763 N 7.38 0.75 -1.48 0.00 0.13 -1.60 -1.36 132.00 135.81 1f68 h PRO 763 Ca 0.02 -0.12 0.44 0.00 -0.87 0.00 0.00 66.00 65.47 1f68 h PRO 763 Cb 1.14 -0.13 -0.09 0.00 0.13 0.00 0.00 31.00 32.06 1f68 h PRO 763 CO 0.16 0.63 1.03 0.38 -0.23 0.00 0.00 178.00 179.97 1f68 h ASP 764 N 0.68 0.12 -0.89 1.44 2.03 -1.96 -0.33 116.42 117.51 1f68 h ASP 764 Ca 0.17 0.05 0.19 0.00 -0.73 0.00 0.00 57.03 56.72 1f68 h ASP 764 Cb 0.15 0.04 -0.11 0.00 -0.83 0.00 0.00 39.33 38.58 1f68 h ASP 764 CO -0.02 -0.05 0.43 0.22 -1.03 0.00 0.00 179.24 178.78 1f68 h TYR 765 N 0.06 0.73 0.00 4.15 3.20 -1.63 0.11 116.97 123.59 1f68 h TYR 765 Ca 0.78 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.67 1f68 h TYR 765 Cb 2.80 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 40.89 1f68 h TYR 765 CO -0.00 0.05 -0.04 1.88 -1.64 0.00 0.00 178.16 178.41 1f68 h TYR 766 N 0.50 0.00 0.17 -3.82 -1.99 -1.22 0.30 116.97 110.92 1f68 h TYR 766 Ca 0.53 0.00 -0.30 0.00 2.00 0.00 0.00 58.73 60.96 1f68 h TYR 766 Cb 0.91 0.00 0.02 0.00 2.00 0.00 0.00 36.73 39.66 1f68 h TYR 766 CO -0.11 0.04 -1.32 0.93 -0.00 0.00 0.00 178.16 177.70 1f68 h GLU 767 N 0.00 0.43 0.01 4.88 4.39 -0.92 -3.25 114.58 120.12 1f68 h GLU 767 Ca -0.00 -0.70 -0.00 0.00 0.34 0.00 0.00 59.36 59.00 1f68 h GLU 767 Cb 1.00 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1f68 h GLU 767 CO 0.01 1.32 -0.01 0.28 -1.16 0.00 0.00 179.01 179.45 1f68 h VAL 768 N 0.14 0.00 -0.90 3.13 2.07 -1.02 -3.39 116.25 116.27 1f68 h VAL 768 Ca -0.19 -0.67 -0.71 0.00 0.82 0.00 0.00 66.70 65.96 1f68 h VAL 768 Cb 2.03 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.70 1f68 h VAL 768 CO 0.24 0.00 2.30 -0.38 0.02 0.00 0.00 177.57 179.74 1f68 n ILE 769 N -3.91 3.91 -0.26 4.57 2.08 0.11 -4.81 119.36 121.05 1f68 n ILE 769 Ca -0.00 -3.95 0.00 0.00 0.56 0.00 0.00 62.75 59.36 1f68 n ILE 769 Cb 0.01 -2.44 0.00 0.00 -0.75 0.00 0.00 39.64 36.46 1f68 n ILE 769 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1f68 n ARG 770 N 6.89 0.77 -2.69 0.38 1.74 -1.23 -3.93 116.66 118.60 1f68 n ARG 770 Ca 0.47 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.48 1f68 n ARG 770 Cb 0.43 -1.11 0.07 0.00 -1.02 0.00 0.00 32.46 30.82 1f68 n ARG 770 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1f68 n PHE 771 N 1.50 -0.21 -1.72 -1.55 3.72 -1.26 -5.11 117.46 112.83 1f68 n PHE 771 Ca 0.00 -2.40 -0.43 0.00 -0.05 0.00 0.00 57.45 54.57 1f68 n PHE 771 Cb 0.39 0.39 -0.03 0.00 -0.94 0.00 0.00 39.48 39.29 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 -1.91 3.30 -0.02 -1.08 0.04 -1.25 -4.93 135.00 129.14 1f68 s PRO 772 Ca 0.24 1.95 -0.19 0.00 0.04 0.00 0.00 61.00 63.04 1f68 s PRO 772 Cb 0.43 -4.30 0.03 0.00 0.04 0.00 0.00 34.50 30.70 1f68 s PRO 772 CO -0.02 -1.90 0.40 -1.50 0.04 0.00 0.00 177.00 174.02 1f68 s ILE 773 N 7.49 0.04 0.19 0.56 1.10 -1.26 -5.11 121.20 124.21 1f68 s ILE 773 Ca 0.94 -0.35 -0.23 0.00 -0.51 0.00 0.00 60.65 60.49 1f68 s ILE 773 Cb -0.31 -0.71 0.05 0.00 0.15 0.00 0.00 42.46 41.64 1f68 s ILE 773 CO 0.35 -0.19 0.74 1.51 -2.11 0.00 0.00 174.94 175.24 1f68 s ASP 774 N -1.29 -0.36 0.18 4.50 1.47 -1.26 -4.65 116.67 115.26 1f68 s ASP 774 Ca -0.13 -0.31 -0.09 0.00 1.18 0.00 0.00 52.55 53.19 1f68 s ASP 774 Cb -0.04 0.61 0.07 0.00 -0.34 0.00 0.00 42.92 43.22 1f68 s ASP 774 CO 0.06 -1.07 1.65 -0.07 0.68 0.00 0.00 175.17 176.42 1f68 h LEU 775 N 2.00 1.04 0.01 2.11 3.38 -0.93 0.18 115.31 123.10 1f68 h LEU 775 Ca -0.25 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.45 1f68 h LEU 775 Cb 1.26 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 1f68 h LEU 775 CO 0.29 1.08 -0.20 0.50 0.09 0.00 0.00 178.44 180.20 1f68 h LYS 776 N 0.97 -0.31 -0.71 1.13 3.11 -1.04 0.04 116.57 119.77 1f68 h LYS 776 Ca 0.18 0.02 0.02 0.00 -2.81 0.00 0.00 60.65 58.06 1f68 h LYS 776 Cb 0.52 0.07 -0.04 0.00 -1.00 0.00 0.00 32.23 31.79 1f68 h LYS 776 CO 0.03 -0.21 0.46 1.15 -2.81 0.00 0.00 179.45 178.07 1f68 h THR 777 N -0.32 1.14 -0.77 1.00 2.02 -1.69 0.13 112.91 114.43 1f68 h THR 777 Ca 0.06 -0.31 0.13 0.00 0.77 0.00 0.00 66.41 67.05 1f68 h THR 777 Cb 0.39 0.15 -0.09 0.00 -1.74 0.00 0.00 68.15 66.86 1f68 h THR 777 CO -0.18 0.17 0.35 0.24 0.37 0.00 0.00 175.52 176.47 1f68 h MET 778 N 0.92 0.52 -0.10 6.66 2.86 -0.16 0.75 114.93 126.38 1f68 h MET 778 Ca 0.27 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.87 1f68 h MET 778 Cb -0.05 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.49 1f68 h MET 778 CO -0.08 0.34 0.02 1.15 1.06 0.00 0.00 176.91 179.40 1f68 h THR 779 N 0.53 1.20 -0.64 2.22 2.02 0.19 0.97 112.91 119.41 1f68 h THR 779 Ca 0.41 -0.62 0.10 0.00 0.77 0.00 0.00 66.41 67.07 1f68 h THR 779 Cb 0.57 1.43 -0.07 0.00 -1.74 0.00 0.00 68.15 68.34 1f68 h THR 779 CO -0.36 0.18 0.25 -0.33 0.37 0.00 0.00 175.52 175.63 1f68 h GLU 780 N -0.06 0.42 -0.36 6.66 5.08 -0.37 0.97 114.58 126.92 1f68 h GLU 780 Ca 0.03 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1f68 h GLU 780 Cb 0.26 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1f68 h GLU 780 CO 0.00 0.28 -0.08 0.00 -1.00 0.00 0.00 179.01 178.21 1f68 h ARG 781 N 0.44 0.62 -0.09 2.33 3.08 -0.63 0.88 114.38 121.01 1f68 h ARG 781 Ca 0.32 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1f68 h ARG 781 Cb 0.40 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1f68 h ARG 781 CO -0.31 0.70 0.05 1.25 -1.07 0.00 0.00 179.97 180.58 1f68 h LEU 782 N 0.57 0.11 -1.04 3.04 5.85 0.35 0.66 115.31 124.85 1f68 h LEU 782 Ca 0.11 -0.09 0.13 0.00 0.84 0.00 0.00 57.88 58.86 1f68 h LEU 782 Cb 0.49 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.41 1f68 h LEU 782 CO 0.03 0.17 0.63 0.03 -0.34 0.00 0.00 178.44 178.95 1f68 h ARG 783 N 0.04 0.93 0.00 1.25 3.08 -0.47 0.66 114.38 119.87 1f68 h ARG 783 Ca 0.03 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1f68 h ARG 783 Cb 0.08 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.93 1f68 h ARG 783 CO -0.00 0.61 0.00 0.43 -1.07 0.00 0.00 179.97 179.94 1f68 n SER 784 N -4.62 0.00 -3.84 7.04 7.64 0.27 -4.91 113.62 115.21 1f68 n SER 784 Ca 0.19 -1.44 -0.27 0.00 1.01 0.00 0.00 58.87 58.35 1f68 n SER 784 Cb 0.38 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.61 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 -0.77 -5.44 -0.23 1.43 0.00 0.22 -4.89 116.66 106.99 1f68 n ARG 785 Ca 0.13 0.61 -0.07 0.00 -0.00 0.00 0.00 57.85 58.52 1f68 n ARG 785 Cb 0.06 -5.40 0.03 0.00 0.00 0.00 0.00 32.46 27.15 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 -2.05 0.97 0.00 -0.14 5.03 -1.14 -3.37 116.97 116.28 1f68 h TYR 786 Ca -0.59 -0.08 -0.62 0.00 2.58 0.00 0.00 58.73 60.02 1f68 h TYR 786 Cb 1.37 -0.29 0.01 0.00 1.55 0.00 0.00 36.73 39.37 1f68 h TYR 786 CO 0.53 0.77 2.96 0.66 -1.32 0.00 0.00 178.16 181.77 1f68 n TYR 787 N -4.42 2.42 0.28 -3.82 4.01 -1.26 -4.68 117.16 109.69 1f68 n TYR 787 Ca 0.04 -2.48 0.14 0.00 -0.16 0.00 0.00 57.90 55.44 1f68 n TYR 787 Cb 0.18 -2.14 0.87 0.00 -0.31 0.00 0.00 39.34 37.94 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 0.60 -3.96 -0.72 -1.51 -2.00 -3.41 116.25 109.06 1f68 h VAL 788 Ca 0.58 0.00 -0.35 0.00 -1.23 0.00 0.00 66.70 65.70 1f68 h VAL 788 Cb 0.48 0.98 -0.27 0.00 -2.13 0.00 0.00 31.29 30.35 1f68 h VAL 788 CO 1.80 0.00 -0.76 0.42 -1.23 0.00 0.00 177.57 177.80 1f68 s THR 789 N -4.70 0.56 0.36 7.19 -4.23 -1.26 -5.05 115.64 108.50 1f68 s THR 789 Ca -0.05 -0.41 0.11 0.00 -1.18 0.00 0.00 61.69 60.16 1f68 s THR 789 Cb 0.15 -0.49 0.34 0.00 1.34 0.00 0.00 72.50 73.84 1f68 s THR 789 CO 0.57 0.08 1.81 -0.09 -0.54 0.00 0.00 174.62 176.45 1f68 h ARG 790 N 5.76 0.59 -0.90 3.99 2.43 -1.99 -0.59 114.38 123.67 1f68 h ARG 790 Ca -0.30 -0.04 0.25 0.00 -0.81 0.00 0.00 59.98 59.08 1f68 h ARG 790 Cb 1.19 -0.13 -0.15 0.00 -0.42 0.00 0.00 29.97 30.46 1f68 h ARG 790 CO 0.49 0.39 0.25 -0.22 -1.51 0.00 0.00 179.97 179.37 1f68 h LYS 791 N 0.60 0.19 -0.38 0.20 1.63 -1.96 0.90 116.57 117.75 1f68 h LYS 791 Ca 0.53 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.32 1f68 h LYS 791 Cb 1.03 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.60 1f68 h LYS 791 CO -0.28 0.13 0.25 -0.07 -3.45 0.00 0.00 179.45 176.02 1f68 h LEU 792 N 0.20 0.45 0.09 5.20 3.38 -1.49 0.88 115.31 124.01 1f68 h LEU 792 Ca 0.58 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.51 1f68 h LEU 792 Cb 1.19 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1f68 h LEU 792 CO -0.67 0.34 -0.04 0.15 0.09 0.00 0.00 178.44 178.30 1f68 h PHE 793 N 0.51 -0.11 -0.30 1.13 3.04 -1.01 0.64 116.94 120.85 1f68 h PHE 793 Ca 0.14 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.15 1f68 h PHE 793 Cb -0.04 0.04 -0.06 0.00 2.56 0.00 0.00 35.95 38.45 1f68 h PHE 793 CO -0.04 0.06 -0.11 0.28 -2.02 0.00 0.00 178.31 176.48 1f68 h VAL 794 N -0.26 0.63 0.66 1.41 2.07 -0.79 0.16 116.25 120.13 1f68 h VAL 794 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1f68 h VAL 794 Cb 0.22 0.63 0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1f68 h VAL 794 CO 0.02 0.00 -0.32 0.00 0.02 0.00 0.00 177.57 177.29 1f68 h ALA 795 N 1.22 -0.89 -0.68 1.67 0.00 -0.73 -2.57 119.26 117.29 1f68 h ALA 795 Ca 0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1f68 h ALA 795 Cb 0.28 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1f68 h ALA 795 CO -0.33 -0.99 0.28 -0.44 0.00 0.00 0.00 179.25 177.76 1f68 h ASP 796 N -0.90 0.93 0.20 0.00 3.32 -0.55 0.16 116.42 119.57 1f68 h ASP 796 Ca -0.09 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 56.81 1f68 h ASP 796 Cb 0.69 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 1f68 h ASP 796 CO 0.15 0.84 -0.38 0.25 -1.72 0.00 0.00 179.24 178.38 1f68 h LEU 797 N 0.96 -1.10 -1.27 1.55 7.12 -0.74 0.93 115.31 122.77 1f68 h LEU 797 Ca 0.23 0.12 0.08 0.00 0.13 0.00 0.00 57.88 58.43 1f68 h LEU 797 Cb 0.20 0.40 -0.06 0.00 -0.53 0.00 0.00 40.66 40.67 1f68 h LEU 797 CO -0.02 -0.48 0.54 1.56 -0.13 0.00 0.00 178.44 179.91 1f68 h GLN 798 N -0.67 0.82 -0.57 1.25 4.20 -1.01 -0.35 115.11 118.79 1f68 h GLN 798 Ca 0.01 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1f68 h GLN 798 Cb 0.66 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 1f68 h GLN 798 CO -0.18 0.55 0.32 -0.09 -0.67 0.00 0.00 178.83 178.76 1f68 h ARG 799 N 0.85 0.77 -0.13 1.46 9.65 0.34 0.20 114.38 127.52 1f68 h ARG 799 Ca 0.37 -0.07 0.01 0.00 -1.10 0.00 0.00 59.98 59.19 1f68 h ARG 799 Cb 0.33 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 1f68 h ARG 799 CO -0.14 0.56 0.06 0.28 2.80 0.00 0.00 179.97 183.53 1f68 h VAL 800 N 0.78 1.00 -0.63 0.20 2.07 0.89 0.27 116.25 120.83 1f68 h VAL 800 Ca 0.20 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 1f68 h VAL 800 Cb 0.00 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1f68 h VAL 800 CO -0.04 0.02 0.34 0.40 0.02 0.00 0.00 177.57 178.32 1f68 h ILE 801 N 0.13 1.20 -0.74 4.57 2.04 -0.77 -1.67 117.51 122.27 1f68 h ILE 801 Ca 0.05 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1f68 h ILE 801 Cb 0.01 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.44 1f68 h ILE 801 CO -0.04 0.22 0.48 0.00 0.00 0.00 0.00 178.15 178.81 1f68 h ALA 802 N 1.16 0.94 -0.80 1.87 0.00 -0.50 -0.10 119.26 121.84 1f68 h ALA 802 Ca 0.22 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.20 1f68 h ALA 802 Cb 0.05 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.48 1f68 h ALA 802 CO -0.04 0.38 0.52 -0.91 0.00 0.00 0.00 179.25 179.21 1f68 h ASN 803 N 1.01 0.54 0.24 0.00 2.35 0.40 0.16 115.58 120.28 1f68 h ASN 803 Ca 0.27 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 56.03 1f68 h ASN 803 Cb -0.09 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.20 1f68 h ASN 803 CO -0.06 0.29 -0.12 0.00 -1.65 0.00 0.00 177.43 175.90 1f68 h ARG 805 N -0.57 0.68 0.00 0.00 3.08 -0.44 0.90 114.38 118.03 1f68 h ARG 805 Ca -0.03 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1f68 h ARG 805 Cb 0.25 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1f68 h ARG 805 CO 0.05 0.45 -0.17 0.93 -1.07 0.00 0.00 179.97 180.16 1f68 h GLU 806 N 0.71 0.00 0.02 0.04 5.08 -0.91 -3.27 114.58 116.24 1f68 h GLU 806 Ca 0.37 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.35 1f68 h GLU 806 Cb 0.34 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 1f68 h GLU 806 CO -0.25 0.17 -2.16 0.98 -1.00 0.00 0.00 179.01 176.76 1f68 n TYR 807 N -3.99 0.42 -3.15 4.33 9.36 -0.51 -4.98 117.16 118.64 1f68 n TYR 807 Ca -0.02 0.14 -0.39 0.00 3.32 0.00 0.00 57.90 60.95 1f68 n TYR 807 Cb 0.26 -1.05 -0.06 0.00 -0.63 0.00 0.00 39.34 37.86 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 -7.07 7.20 0.59 2.98 0.01 0.19 -5.05 114.94 113.80 1f68 s ASN 808 Ca -0.33 1.43 -0.18 0.00 -0.71 0.00 0.00 52.86 53.06 1f68 s ASN 808 Cb 0.10 -2.42 -0.03 0.00 0.41 0.00 0.00 41.25 39.31 1f68 s ASN 808 CO 0.58 0.24 1.16 -2.16 -1.51 0.00 0.00 177.10 175.41 1f68 s PRO 809 N -1.09 3.03 0.25 -0.60 0.04 -1.26 -4.70 135.00 130.66 1f68 s PRO 809 Ca 0.32 1.68 -0.07 0.00 0.04 0.00 0.00 61.00 62.97 1f68 s PRO 809 Cb -0.21 -1.95 0.43 0.00 0.04 0.00 0.00 34.50 32.81 1f68 s PRO 809 CO 0.22 -1.13 1.63 -1.35 0.04 0.00 0.00 177.00 176.42 1f68 h PRO 810 N 0.79 0.09 -5.00 0.56 0.11 -1.97 -2.93 132.00 123.65 1f68 h PRO 810 Ca -0.50 -0.01 -0.61 0.00 0.11 0.00 0.00 66.00 65.00 1f68 h PRO 810 Cb 1.28 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 1f68 h PRO 810 CO 0.55 0.06 2.23 -3.47 -0.21 0.00 0.00 178.00 177.17 1f68 n ASP 811 N -5.36 3.78 -3.73 -2.05 2.03 -1.26 -4.32 116.55 105.63 1f68 n ASP 811 Ca 0.14 -2.80 -0.12 0.00 0.52 0.00 0.00 54.79 52.52 1f68 n ASP 811 Cb 0.47 -1.60 -0.07 0.00 -0.72 0.00 0.00 41.12 39.20 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 4.58 -0.19 0.20 1.67 1.04 -1.11 -5.00 113.70 114.89 1f68 s SER 812 Ca 0.56 -0.04 -0.10 0.00 0.48 0.00 0.00 55.95 56.85 1f68 s SER 812 Cb 0.08 0.36 0.24 0.00 0.10 0.00 0.00 66.02 66.80 1f68 s SER 812 CO 0.05 -0.58 1.78 -0.33 0.98 0.00 0.00 173.24 175.15 1f68 h GLU 813 N 3.36 0.53 -0.52 4.02 3.07 -1.91 0.92 114.58 124.04 1f68 h GLU 813 Ca -0.31 -0.03 0.07 0.00 -0.50 0.00 0.00 59.36 58.59 1f68 h GLU 813 Cb 1.19 -0.12 -0.10 0.00 -0.84 0.00 0.00 28.75 28.89 1f68 h GLU 813 CO 0.44 0.35 -0.50 1.88 -1.40 0.00 0.00 179.01 179.77 1f68 h TYR 814 N 0.54 -1.52 -0.32 4.33 -1.99 -1.95 0.15 116.97 116.21 1f68 h TYR 814 Ca 0.29 0.09 -0.16 0.00 2.00 0.00 0.00 58.73 60.95 1f68 h TYR 814 Cb 0.26 0.74 -0.01 0.00 2.00 0.00 0.00 36.73 39.72 1f68 h TYR 814 CO -0.11 -0.45 -0.43 0.00 -0.00 0.00 0.00 178.16 177.16 1f68 h ARG 816 N 0.65 -0.48 -0.61 0.00 3.08 -0.65 0.11 114.38 116.48 1f68 h ARG 816 Ca 0.04 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.21 1f68 h ARG 816 Cb 1.00 0.11 -0.06 0.00 0.08 0.00 0.00 29.97 31.10 1f68 h ARG 816 CO 0.10 -0.32 0.28 0.00 -1.07 0.00 0.00 179.97 178.95 1f68 h ALA 818 N 1.38 0.71 0.16 0.00 0.00 -0.36 0.23 119.26 121.37 1f68 h ALA 818 Ca 0.30 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1f68 h ALA 818 Cb 0.30 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1f68 h ALA 818 CO -0.25 0.13 -0.08 0.77 0.00 0.00 0.00 179.25 179.82 1f68 h SER 819 N 0.74 -0.18 -0.49 0.00 0.02 -0.08 0.18 113.55 113.74 1f68 h SER 819 Ca 0.21 0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.23 1f68 h SER 819 Cb -0.06 0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.47 1f68 h SER 819 CO -0.06 -0.13 0.18 0.00 -1.14 0.00 0.00 176.83 175.68 1f68 h ALA 820 N 0.63 0.60 -0.53 3.77 0.00 -0.76 -0.76 119.26 122.20 1f68 h ALA 820 Ca -0.02 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1f68 h ALA 820 Cb 0.17 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1f68 h ALA 820 CO 0.03 -0.21 0.35 1.25 0.00 0.00 0.00 179.25 180.67 1f68 h LEU 821 N 0.36 0.61 0.09 0.00 5.85 -0.26 0.92 115.31 122.88 1f68 h LEU 821 Ca 0.23 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1f68 h LEU 821 Cb 0.24 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1f68 h LEU 821 CO -0.24 0.44 -0.07 -0.08 -0.34 0.00 0.00 178.44 178.15 1f68 h GLU 822 N 0.72 -0.17 0.07 1.25 4.57 -0.09 0.16 114.58 121.08 1f68 h GLU 822 Ca 0.20 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.40 1f68 h GLU 822 Cb -0.08 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 1f68 h GLU 822 CO -0.04 -0.11 -0.15 0.87 -1.18 0.00 0.00 179.01 178.40 1f68 h LYS 823 N -0.17 -0.27 -0.24 1.92 1.79 -0.86 0.52 116.57 119.26 1f68 h LYS 823 Ca -0.00 0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.55 1f68 h LYS 823 Cb 0.16 0.06 -0.07 0.00 -1.58 0.00 0.00 32.23 30.79 1f68 h LYS 823 CO -0.01 -0.18 -0.29 0.35 -1.08 0.00 0.00 179.45 178.24 1f68 h PHE 824 N -0.28 -0.80 -0.18 -1.35 3.57 -0.65 0.69 116.94 117.94 1f68 h PHE 824 Ca 0.03 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.63 1f68 h PHE 824 Cb 0.30 0.39 -0.07 0.00 2.79 0.00 0.00 35.95 39.37 1f68 h PHE 824 CO -0.17 -0.37 -0.28 0.35 -2.23 0.00 0.00 178.31 175.62 1f68 h PHE 825 N -0.30 -0.75 -0.33 0.41 3.57 -0.44 0.13 116.94 119.22 1f68 h PHE 825 Ca 0.13 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.73 1f68 h PHE 825 Cb 0.51 0.36 -0.06 0.00 2.79 0.00 0.00 35.95 39.55 1f68 h PHE 825 CO -0.44 -0.35 -0.06 1.88 -2.23 0.00 0.00 178.31 177.11 1f68 h TYR 826 N -0.32 -0.13 -0.82 0.41 0.05 -0.26 0.12 116.97 116.01 1f68 h TYR 826 Ca 0.11 0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.97 1f68 h TYR 826 Cb 0.50 0.11 -0.06 0.00 1.01 0.00 0.00 36.73 38.29 1f68 h TYR 826 CO -0.39 -0.12 0.51 0.74 -1.05 0.00 0.00 178.16 177.84 1f68 h PHE 827 N 0.03 0.94 -0.68 4.88 0.04 -0.22 0.71 116.94 122.64 1f68 h PHE 827 Ca 0.16 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.91 1f68 h PHE 827 Cb 0.24 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 38.05 1f68 h PHE 827 CO -0.29 0.50 0.24 0.87 -0.60 0.00 0.00 178.31 179.02 1f68 h LYS 828 N 0.95 1.04 -0.30 1.51 1.79 0.24 0.21 116.57 122.01 1f68 h LYS 828 Ca 0.35 -0.21 0.01 0.00 -2.18 0.00 0.00 60.65 58.62 1f68 h LYS 828 Cb 0.12 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.60 1f68 h LYS 828 CO -0.16 0.89 0.17 -0.07 -1.08 0.00 0.00 179.45 179.21 1f68 h LEU 829 N 0.98 0.28 -0.68 2.94 3.38 -0.11 -3.00 115.31 119.11 1f68 h LEU 829 Ca 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1f68 h LEU 829 Cb 0.26 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1f68 h LEU 829 CO -0.01 0.21 0.31 0.11 0.09 0.00 0.00 178.44 179.15 1f68 h LYS 830 N 0.36 0.98 0.00 1.13 1.57 -0.52 -3.46 116.57 116.62 1f68 h LYS 830 Ca 0.12 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1f68 h LYS 830 Cb -0.00 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.14 1f68 h LYS 830 CO -0.05 0.79 0.00 0.39 -0.57 0.00 0.00 179.45 180.00 1f68 n GLU 831 N -4.44 0.00 0.00 3.15 1.02 0.71 -5.09 120.64 115.98 1f68 n GLU 831 Ca 0.05 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.21 1f68 n GLU 831 Cb 0.14 0.00 0.13 0.00 -0.02 0.00 0.00 31.44 31.69 1f68 n GLU 831 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72