#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 0.01 -0.05 1.61 2.03 -2.02 0.11 116.42 118.10 1f68 h ASP 731 Ca 0.00 0.21 -0.00 0.00 -0.73 0.00 0.00 57.03 56.51 1f68 h ASP 731 Cb 0.00 0.28 -0.00 0.00 -0.83 0.00 0.00 39.33 38.78 1f68 h ASP 731 CO 0.00 -0.19 0.03 1.56 -1.03 0.00 0.00 179.24 179.61 1f68 h GLN 732 N 0.19 0.08 -0.15 4.15 1.08 -2.05 0.12 115.11 118.52 1f68 h GLN 732 Ca 0.59 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.79 1f68 h GLN 732 Cb 1.23 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.63 1f68 h GLN 732 CO -0.69 0.17 0.07 1.25 -0.95 0.00 0.00 178.83 178.68 1f68 h LEU 733 N -0.03 0.09 -0.37 1.46 5.85 -1.38 0.10 115.31 121.04 1f68 h LEU 733 Ca 0.02 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.82 1f68 h LEU 733 Cb 0.11 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 1f68 h LEU 733 CO -0.00 0.08 -0.07 0.22 -0.34 0.00 0.00 178.44 178.33 1f68 h TYR 734 N 0.15 -0.15 -0.71 1.25 3.20 -0.70 0.14 116.97 120.14 1f68 h TYR 734 Ca 0.06 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.98 1f68 h TYR 734 Cb 0.02 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 1f68 h TYR 734 CO -0.10 -0.14 0.46 1.15 -1.64 0.00 0.00 178.16 177.90 1f68 h THR 735 N 0.02 1.15 -0.13 1.81 2.02 -0.39 0.76 112.91 118.17 1f68 h THR 735 Ca 0.18 -0.32 0.02 0.00 0.77 0.00 0.00 66.41 67.06 1f68 h THR 735 Cb 0.27 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 1f68 h THR 735 CO -0.36 0.17 0.01 0.74 0.37 0.00 0.00 175.52 176.45 1f68 h THR 736 N 0.93 0.92 -0.48 3.16 2.02 0.37 0.90 112.91 120.74 1f68 h THR 736 Ca 0.27 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.46 1f68 h THR 736 Cb -0.06 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 1f68 h THR 736 CO -0.08 0.01 0.27 -0.07 0.37 0.00 0.00 175.52 176.02 1f68 h LEU 737 N 0.06 0.41 -0.40 2.58 3.38 -0.35 0.13 115.31 121.12 1f68 h LEU 737 Ca 0.06 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1f68 h LEU 737 Cb 0.06 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1f68 h LEU 737 CO -0.09 0.29 0.17 0.50 0.09 0.00 0.00 178.44 179.40 1f68 h LYS 738 N 0.53 0.35 -0.48 1.13 3.64 -0.45 0.88 116.57 122.16 1f68 h LYS 738 Ca 0.20 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1f68 h LYS 738 Cb 0.06 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1f68 h LYS 738 CO -0.11 0.23 0.18 -0.91 -2.27 0.00 0.00 179.45 176.57 1f68 h ASN 739 N 0.36 0.68 0.12 4.20 2.35 -0.32 0.15 115.58 123.13 1f68 h ASN 739 Ca 0.17 -0.18 0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1f68 h ASN 739 Cb 0.11 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 1f68 h ASN 739 CO -0.15 0.68 -0.25 0.25 -1.65 0.00 0.00 177.43 176.32 1f68 h LEU 740 N 0.64 -0.70 -0.39 1.61 5.85 -0.37 -0.32 115.31 121.63 1f68 h LEU 740 Ca 0.16 0.08 0.05 0.00 0.84 0.00 0.00 57.88 59.01 1f68 h LEU 740 Cb 0.22 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 1f68 h LEU 740 CO -0.01 -0.34 0.14 0.25 -0.34 0.00 0.00 178.44 178.15 1f68 h LEU 741 N -0.45 0.16 -0.09 2.25 5.85 -0.65 -0.13 115.31 122.24 1f68 h LEU 741 Ca 0.03 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1f68 h LEU 741 Cb 0.48 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 1f68 h LEU 741 CO -0.14 0.13 -0.14 0.00 -0.34 0.00 0.00 178.44 177.95 1f68 h ALA 742 N 1.25 -0.08 -0.18 1.25 0.00 -0.42 0.11 119.26 121.19 1f68 h ALA 742 Ca 0.18 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1f68 h ALA 742 Cb 0.16 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1f68 h ALA 742 CO -0.18 -0.60 0.03 1.96 0.00 0.00 0.00 179.25 180.46 1f68 h GLN 743 N -0.18 0.10 -0.13 0.00 4.20 -0.69 0.14 115.11 118.56 1f68 h GLN 743 Ca 0.08 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.83 1f68 h GLN 743 Cb 0.29 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.99 1f68 h GLN 743 CO -0.20 0.06 -0.30 0.82 -0.67 0.00 0.00 178.83 178.54 1f68 h ILE 744 N 0.10 0.32 -0.97 2.54 2.04 -0.61 0.26 117.51 121.19 1f68 h ILE 744 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1f68 h ILE 744 Cb 0.08 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 36.43 1f68 h ILE 744 CO -0.12 0.00 0.61 0.11 0.00 0.00 0.00 178.15 178.75 1f68 h LYS 745 N -0.38 1.30 -0.80 2.37 1.57 -0.47 -2.38 116.57 117.78 1f68 h LYS 745 Ca 0.10 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1f68 h LYS 745 Cb 0.53 -0.28 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 1f68 h LYS 745 CO -0.34 0.89 0.36 0.77 -0.57 0.00 0.00 179.45 180.57 1f68 h SER 746 N 1.33 1.06 -2.13 0.86 0.02 -0.08 -3.43 113.55 111.19 1f68 h SER 746 Ca 0.35 -0.14 -0.57 0.00 -0.84 0.00 0.00 61.79 60.59 1f68 h SER 746 Cb -0.09 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.18 1f68 h SER 746 CO -0.07 0.91 1.31 1.57 -1.14 0.00 0.00 176.83 179.41 1f68 n HIS 747 N -4.30 2.27 -0.32 3.45 -0.00 0.02 -4.86 115.22 111.49 1f68 n HIS 747 Ca 0.08 -0.22 0.15 0.00 -0.00 0.00 0.00 57.72 57.73 1f68 n HIS 747 Cb 0.16 -2.75 0.31 0.00 -0.00 0.00 0.00 29.99 27.71 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 11.87 0.07 -0.27 1.57 0.11 -1.86 0.09 132.00 143.59 1f68 h PRO 748 Ca -0.46 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.72 1f68 h PRO 748 Cb 1.25 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1f68 h PRO 748 CO 0.95 0.05 0.54 0.77 -0.21 0.00 0.00 178.00 180.10 1f68 h SER 749 N 0.08 0.00 -0.11 -2.05 0.02 -1.89 -0.12 113.55 109.48 1f68 h SER 749 Ca 0.60 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.58 1f68 h SER 749 Cb 1.27 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.80 1f68 h SER 749 CO -0.81 0.00 0.14 0.00 -1.14 0.00 0.00 176.83 175.02 1f68 h ALA 750 N 1.17 1.66 -0.71 3.77 0.00 -1.20 -3.39 119.26 120.57 1f68 h ALA 750 Ca 0.13 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.17 1f68 h ALA 750 Cb 1.20 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.87 1f68 h ALA 750 CO -0.00 -0.20 -0.18 -2.67 0.00 0.00 0.00 179.25 176.20 1f68 n TRP 751 N -3.74 0.25 0.15 0.00 4.27 -0.06 -0.63 117.44 117.68 1f68 n TRP 751 Ca -0.00 0.86 0.00 0.00 -3.89 0.00 0.00 57.50 54.47 1f68 n TRP 751 Cb 0.24 -0.91 0.20 0.00 -1.36 0.00 0.00 31.31 29.49 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 -0.58 -2.67 0.11 -1.87 -3.25 132.00 123.73 1f68 h PRO 752 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 1f68 h PRO 752 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1f68 h PRO 752 CO -0.73 0.57 0.00 1.19 -0.21 0.00 0.00 178.00 178.82 1f68 n PHE 753 N -3.74 0.89 0.10 0.65 3.72 0.20 -4.56 117.46 114.72 1f68 n PHE 753 Ca -0.01 -0.40 -0.04 0.00 -0.05 0.00 0.00 57.45 56.95 1f68 n PHE 753 Cb 0.60 -0.07 -0.02 0.00 -0.94 0.00 0.00 39.48 39.04 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 3.21 -0.26 -6.30 -1.08 2.86 -1.59 0.52 114.93 112.28 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 0.90 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.61 1f68 h MET 754 CO 0.06 -0.17 -0.33 -1.21 1.06 0.00 0.00 176.91 176.32 1f68 s GLU 755 N -3.06 3.48 -0.71 1.72 0.41 -1.26 -0.23 118.70 119.05 1f68 s GLU 755 Ca -0.04 -0.50 -0.26 0.00 -0.41 0.00 0.00 54.97 53.77 1f68 s GLU 755 Cb 0.00 -2.80 -0.06 0.00 -1.78 0.00 0.00 34.13 29.49 1f68 s GLU 755 CO 0.12 0.33 2.09 -1.25 -0.49 0.00 0.00 175.26 176.06 1f68 s PRO 756 N -3.88 2.32 -0.50 0.39 0.04 -1.26 -4.86 135.00 127.25 1f68 s PRO 756 Ca 0.37 0.48 -0.27 0.00 0.04 0.00 0.00 61.00 61.62 1f68 s PRO 756 Cb -0.10 -4.70 -0.08 0.00 0.04 0.00 0.00 34.50 29.67 1f68 s PRO 756 CO 0.31 -3.33 2.42 0.28 0.04 0.00 0.00 177.00 176.72 1f68 n VAL 757 N 7.84 -0.05 -1.84 -0.36 0.31 -1.26 -4.95 118.33 118.02 1f68 n VAL 757 Ca 0.34 -0.73 -0.29 0.00 -0.01 0.00 0.00 64.34 63.64 1f68 n VAL 757 Cb 0.50 -2.65 0.08 0.00 -0.91 0.00 0.00 33.84 30.86 1f68 n VAL 757 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1f68 s LYS 758 N 8.19 2.19 0.30 5.55 -0.14 -1.26 -4.78 119.74 129.80 1f68 s LYS 758 Ca 1.01 0.28 0.05 0.00 -1.36 0.00 0.00 55.97 55.95 1f68 s LYS 758 Cb -0.26 -1.96 0.73 0.00 -1.68 0.00 0.00 37.83 34.67 1f68 s LYS 758 CO 0.28 -1.47 1.76 0.87 -0.76 0.00 0.00 175.35 176.04 1f68 h LYS 759 N -0.97 0.69 -0.27 1.68 1.57 -1.92 0.19 116.57 117.54 1f68 h LYS 759 Ca -0.46 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.33 1f68 h LYS 759 Cb 1.30 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 1f68 h LYS 759 CO 0.64 0.46 0.19 0.66 -0.57 0.00 0.00 179.45 180.83 1f68 h SER 760 N 0.71 0.11 0.03 0.86 4.64 -1.97 -1.33 113.55 116.60 1f68 h SER 760 Ca 0.57 -0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.74 1f68 h SER 760 Cb 0.92 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 1f68 h SER 760 CO -0.40 0.07 -0.83 -0.33 -0.87 0.00 0.00 176.83 174.47 1f68 h GLU 761 N 0.12 0.06 -2.32 4.77 4.39 -1.08 -3.45 114.58 117.08 1f68 h GLU 761 Ca 0.12 -0.10 -0.44 0.00 0.34 0.00 0.00 59.36 59.28 1f68 h GLU 761 Cb 0.33 0.04 -0.35 0.00 -0.10 0.00 0.00 28.75 28.66 1f68 h GLU 761 CO -0.02 1.05 -0.73 0.00 -1.16 0.00 0.00 179.01 178.15 1f68 s ALA 762 N -2.34 0.08 0.09 3.43 0.00 -0.09 -5.01 121.76 117.93 1f68 s ALA 762 Ca -0.23 -1.02 -0.28 0.00 0.00 0.00 0.00 51.96 50.43 1f68 s ALA 762 Cb 0.02 -1.75 -0.13 0.00 0.00 0.00 0.00 23.12 21.26 1f68 s ALA 762 CO 0.67 -1.91 1.66 -1.35 0.00 0.00 0.00 175.76 174.82 1f68 h PRO 763 N 7.66 -0.49 -0.91 0.00 0.11 -1.48 -3.19 132.00 133.71 1f68 h PRO 763 Ca -0.05 0.03 0.19 0.00 0.11 0.00 0.00 66.00 66.28 1f68 h PRO 763 Cb 1.03 0.11 -0.07 0.00 0.11 0.00 0.00 31.00 32.18 1f68 h PRO 763 CO 0.30 -0.33 0.59 0.38 -0.21 0.00 0.00 178.00 178.73 1f68 h ASP 764 N -0.51 0.51 -0.84 -2.05 2.03 -1.96 0.63 116.42 114.24 1f68 h ASP 764 Ca -0.02 0.05 0.21 0.00 -0.73 0.00 0.00 57.03 56.54 1f68 h ASP 764 Cb 0.45 -0.05 -0.14 0.00 -0.83 0.00 0.00 39.33 38.76 1f68 h ASP 764 CO -0.01 0.22 0.17 0.22 -1.03 0.00 0.00 179.24 178.80 1f68 h TYR 765 N 0.52 0.24 0.00 4.15 3.20 -1.92 0.17 116.97 123.33 1f68 h TYR 765 Ca 0.48 0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.40 1f68 h TYR 765 Cb 1.02 0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.32 1f68 h TYR 765 CO -0.00 -0.20 0.00 1.88 -1.64 0.00 0.00 178.16 178.19 1f68 h TYR 766 N 0.19 0.00 0.20 -3.82 -1.99 -1.03 0.13 116.97 110.65 1f68 h TYR 766 Ca 0.50 0.00 -0.32 0.00 2.00 0.00 0.00 58.73 60.91 1f68 h TYR 766 Cb 0.97 0.00 0.03 0.00 2.00 0.00 0.00 36.73 39.73 1f68 h TYR 766 CO -0.31 0.00 -1.39 0.93 -0.00 0.00 0.00 178.16 177.39 1f68 h GLU 767 N 0.00 0.54 0.00 4.88 5.08 -0.69 -3.39 114.58 121.00 1f68 h GLU 767 Ca 0.00 -0.85 -0.04 0.00 -1.00 0.00 0.00 59.36 57.47 1f68 h GLU 767 Cb 0.85 0.31 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1f68 h GLU 767 CO 0.00 1.40 -0.25 0.28 -1.00 0.00 0.00 179.01 179.44 1f68 h VAL 768 N 0.18 0.95 -3.59 3.13 2.07 -0.83 -3.48 116.25 114.68 1f68 h VAL 768 Ca -0.22 -1.79 -0.67 0.00 0.82 0.00 0.00 66.70 64.84 1f68 h VAL 768 Cb 2.08 1.87 -0.16 0.00 -1.52 0.00 0.00 31.29 33.56 1f68 h VAL 768 CO 0.26 0.32 -0.73 -0.63 0.02 0.00 0.00 177.57 176.81 1f68 s ILE 769 N -2.05 3.45 -0.05 4.57 -1.09 0.43 -5.05 121.20 121.41 1f68 s ILE 769 Ca -0.15 -1.11 0.15 0.00 -2.23 0.00 0.00 60.65 57.31 1f68 s ILE 769 Cb -0.00 -2.57 0.28 0.00 -1.58 0.00 0.00 42.46 38.59 1f68 s ILE 769 CO 0.42 0.20 1.12 0.54 -1.23 0.00 0.00 174.94 176.00 1f68 n ARG 770 N 0.98 0.39 -2.56 2.79 1.74 -1.26 -4.14 116.66 114.59 1f68 n ARG 770 Ca -0.14 -1.96 -0.15 0.00 -0.77 0.00 0.00 57.85 54.83 1f68 n ARG 770 Cb 0.52 -0.56 0.02 0.00 -1.02 0.00 0.00 32.46 31.42 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 -0.11 2.07 -1.91 -1.55 3.72 -1.26 -5.11 117.46 113.30 1f68 n PHE 771 Ca 0.07 -2.74 -0.41 0.00 -0.05 0.00 0.00 57.45 54.32 1f68 n PHE 771 Cb 0.89 -0.26 -0.01 0.00 -0.94 0.00 0.00 39.48 39.16 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 -3.41 4.20 -0.03 -1.08 0.04 -1.26 -4.92 135.00 128.54 1f68 s PRO 772 Ca 0.36 2.44 -0.29 0.00 0.04 0.00 0.00 61.00 63.55 1f68 s PRO 772 Cb 0.42 -3.03 0.09 0.00 0.04 0.00 0.00 34.50 32.02 1f68 s PRO 772 CO -0.05 -0.45 0.81 -1.50 0.04 0.00 0.00 177.00 175.85 1f68 s ILE 773 N -0.66 0.00 0.09 0.56 1.10 -1.26 -5.11 121.20 115.92 1f68 s ILE 773 Ca 0.55 0.00 -0.26 0.00 -0.51 0.00 0.00 60.65 60.43 1f68 s ILE 773 Cb -0.44 -1.00 0.08 0.00 0.15 0.00 0.00 42.46 41.25 1f68 s ILE 773 CO 0.53 0.00 0.86 1.51 -2.11 0.00 0.00 174.94 175.73 1f68 s ASP 774 N -1.79 -0.33 0.23 4.50 1.47 -1.26 -4.78 116.67 114.71 1f68 s ASP 774 Ca -0.02 -0.16 -0.05 0.00 1.18 0.00 0.00 52.55 53.49 1f68 s ASP 774 Cb -0.01 0.47 0.22 0.00 -0.34 0.00 0.00 42.92 43.27 1f68 s ASP 774 CO -0.01 -0.81 1.71 -0.07 0.68 0.00 0.00 175.17 176.67 1f68 h LEU 775 N 2.00 0.89 0.38 2.11 3.38 -0.73 0.12 115.31 123.47 1f68 h LEU 775 Ca -0.24 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 1f68 h LEU 775 Cb 1.25 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 1f68 h LEU 775 CO 0.30 0.94 -0.22 0.50 0.09 0.00 0.00 178.44 180.05 1f68 h LYS 776 N 0.86 -0.55 -0.76 1.13 1.63 -0.82 0.21 116.57 118.27 1f68 h LYS 776 Ca 0.16 0.04 0.10 0.00 -0.85 0.00 0.00 60.65 60.10 1f68 h LYS 776 Cb 0.49 0.12 -0.07 0.00 -0.60 0.00 0.00 32.23 32.17 1f68 h LYS 776 CO 0.02 -0.37 0.40 1.15 -3.45 0.00 0.00 179.45 177.21 1f68 h THR 777 N -0.57 0.86 -0.74 1.00 2.02 -1.69 0.10 112.91 113.89 1f68 h THR 777 Ca -0.04 -0.23 0.05 0.00 0.77 0.00 0.00 66.41 66.96 1f68 h THR 777 Cb 0.46 0.14 -0.05 0.00 -1.74 0.00 0.00 68.15 66.95 1f68 h THR 777 CO 0.06 0.12 0.44 0.24 0.37 0.00 0.00 175.52 176.75 1f68 h MET 778 N 0.67 0.80 -0.16 6.66 2.86 -0.44 0.82 114.93 126.14 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 0.38 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 1f68 h MET 778 CO -0.27 0.53 -0.04 1.15 1.06 0.00 0.00 176.91 179.34 1f68 h THR 779 N 0.83 0.83 -0.42 2.22 2.02 0.17 0.23 112.91 118.79 1f68 h THR 779 Ca 0.32 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.53 1f68 h THR 779 Cb 0.13 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 1f68 h THR 779 CO -0.16 0.00 0.20 -0.33 0.37 0.00 0.00 175.52 175.60 1f68 h GLU 780 N -0.00 0.39 -0.78 6.66 4.39 -0.37 0.12 114.58 124.99 1f68 h GLU 780 Ca 0.08 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1f68 h GLU 780 Cb 0.12 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 1f68 h GLU 780 CO -0.17 0.26 0.49 0.00 -1.16 0.00 0.00 179.01 178.43 1f68 h ARG 781 N 0.40 1.04 -0.24 2.33 3.08 -0.44 0.16 114.38 120.71 1f68 h ARG 781 Ca 0.18 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 1f68 h ARG 781 Cb 0.10 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1f68 h ARG 781 CO -0.14 0.70 0.01 1.25 -1.07 0.00 0.00 179.97 180.73 1f68 h LEU 782 N 1.06 0.40 -1.38 3.04 5.85 0.22 0.35 115.31 124.86 1f68 h LEU 782 Ca 0.28 -0.30 0.08 0.00 0.84 0.00 0.00 57.88 58.78 1f68 h LEU 782 Cb -0.09 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 1f68 h LEU 782 CO -0.06 0.60 0.49 0.03 -0.34 0.00 0.00 178.44 179.17 1f68 h ARG 783 N 0.19 0.70 0.00 1.25 3.08 -0.19 0.15 114.38 119.56 1f68 h ARG 783 Ca 0.07 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1f68 h ARG 783 Cb 0.39 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1f68 h ARG 783 CO 0.01 0.46 0.00 0.43 -1.07 0.00 0.00 179.97 179.81 1f68 n SER 784 N -4.49 0.00 -2.90 7.04 7.64 0.50 -4.90 113.62 116.50 1f68 n SER 784 Ca 0.12 -1.30 -0.22 0.00 1.01 0.00 0.00 58.87 58.48 1f68 n SER 784 Cb 0.28 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.51 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 -0.83 -4.53 -0.09 1.43 1.74 0.52 -4.91 116.66 110.00 1f68 n ARG 785 Ca 0.15 0.91 -0.11 0.00 -0.77 0.00 0.00 57.85 58.03 1f68 n ARG 785 Cb 0.07 -5.73 -0.04 0.00 -1.02 0.00 0.00 32.46 25.74 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 -1.24 0.49 0.00 -1.55 5.03 -1.18 -3.36 116.97 115.16 1f68 h TYR 786 Ca -0.52 -0.08 -0.62 0.00 2.58 0.00 0.00 58.73 60.09 1f68 h TYR 786 Cb 1.36 -0.13 0.01 0.00 1.55 0.00 0.00 36.73 39.52 1f68 h TYR 786 CO 0.52 0.60 3.10 0.66 -1.32 0.00 0.00 178.16 181.72 1f68 n TYR 787 N -4.63 2.44 -0.17 -3.82 4.01 -1.26 -4.66 117.16 109.06 1f68 n TYR 787 Ca -0.03 -2.59 0.00 0.00 -0.16 0.00 0.00 57.90 55.12 1f68 n TYR 787 Cb 0.24 -2.20 0.26 0.00 -0.31 0.00 0.00 39.34 37.33 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 3.66 1.19 -4.31 -0.72 -1.51 -1.98 -3.42 116.25 109.16 1f68 h VAL 788 Ca 0.62 -0.41 -0.60 0.00 -1.23 0.00 0.00 66.70 65.08 1f68 h VAL 788 Cb 0.43 0.24 -0.30 0.00 -2.13 0.00 0.00 31.29 29.54 1f68 h VAL 788 CO 1.78 0.20 -0.85 0.42 -1.23 0.00 0.00 177.57 177.88 1f68 s THR 789 N -5.69 1.63 0.54 7.19 -4.23 -1.26 -5.00 115.64 108.82 1f68 s THR 789 Ca -0.10 -0.87 0.24 0.00 -1.18 0.00 0.00 61.69 59.77 1f68 s THR 789 Cb 0.17 -1.36 0.35 0.00 1.34 0.00 0.00 72.50 73.00 1f68 s THR 789 CO 0.78 0.46 2.07 -0.09 -0.54 0.00 0.00 174.62 177.30 1f68 h ARG 790 N 5.77 0.00 -0.84 3.99 2.43 -1.98 -0.51 114.38 123.24 1f68 h ARG 790 Ca -0.37 0.00 0.19 0.00 -0.81 0.00 0.00 59.98 58.99 1f68 h ARG 790 Cb 1.15 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 30.58 1f68 h ARG 790 CO 0.48 0.00 0.31 -0.22 -1.51 0.00 0.00 179.97 179.02 1f68 h LYS 791 N 0.00 0.35 -0.49 0.20 1.63 -1.96 0.16 116.57 116.46 1f68 h LYS 791 Ca 0.13 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.89 1f68 h LYS 791 Cb 0.56 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.09 1f68 h LYS 791 CO -0.00 0.23 0.23 -0.07 -3.45 0.00 0.00 179.45 176.39 1f68 h LEU 792 N 0.36 0.64 -0.17 5.20 3.38 -1.48 0.77 115.31 124.01 1f68 h LEU 792 Ca 0.50 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1f68 h LEU 792 Cb 0.91 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1f68 h LEU 792 CO -0.52 0.59 0.11 0.15 0.09 0.00 0.00 178.44 178.86 1f68 h PHE 793 N 0.64 0.22 -0.46 1.13 3.04 -1.16 0.10 116.94 120.46 1f68 h PHE 793 Ca 0.17 0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.17 1f68 h PHE 793 Cb 0.13 -0.07 -0.05 0.00 2.56 0.00 0.00 35.95 38.52 1f68 h PHE 793 CO -0.01 0.16 0.20 0.28 -2.02 0.00 0.00 178.31 176.92 1f68 h VAL 794 N 0.21 0.91 0.42 1.41 2.07 -0.48 0.14 116.25 120.93 1f68 h VAL 794 Ca 0.06 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1f68 h VAL 794 Cb 0.00 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1f68 h VAL 794 CO -0.01 0.07 -0.28 0.00 0.02 0.00 0.00 177.57 177.37 1f68 h ALA 795 N 1.27 -0.68 -0.20 1.67 0.00 -0.58 -1.89 119.26 118.85 1f68 h ALA 795 Ca 0.21 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1f68 h ALA 795 Cb 0.16 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1f68 h ALA 795 CO -0.18 -0.90 -0.02 -0.44 0.00 0.00 0.00 179.25 177.71 1f68 h ASP 796 N -0.68 -0.12 -0.23 0.00 5.19 -0.55 0.22 116.42 120.25 1f68 h ASP 796 Ca -0.04 0.05 0.01 0.00 -0.62 0.00 0.00 57.03 56.43 1f68 h ASP 796 Cb 0.57 0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.16 1f68 h ASP 796 CO 0.03 -0.03 0.11 0.25 -3.12 0.00 0.00 179.24 176.48 1f68 h LEU 797 N 0.04 0.17 -1.48 1.55 7.12 -0.74 0.15 115.31 122.13 1f68 h LEU 797 Ca 0.10 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.12 1f68 h LEU 797 Cb 0.13 -0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 40.21 1f68 h LEU 797 CO -0.18 0.13 0.31 1.56 -0.13 0.00 0.00 178.44 180.13 1f68 h GLN 798 N 0.24 0.66 -0.77 1.25 4.20 -1.00 -1.15 115.11 118.54 1f68 h GLN 798 Ca 0.09 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 1f68 h GLN 798 Cb 0.02 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 1f68 h GLN 798 CO -0.06 0.45 0.29 -0.09 -0.67 0.00 0.00 178.83 178.75 1f68 h ARG 799 N 0.67 1.15 0.17 1.46 2.43 0.11 0.21 114.38 120.58 1f68 h ARG 799 Ca 0.18 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1f68 h ARG 799 Cb -0.05 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 1f68 h ARG 799 CO -0.04 0.95 -0.15 0.28 -1.51 0.00 0.00 179.97 179.50 1f68 h VAL 800 N 1.12 0.67 -0.39 0.20 2.07 0.13 0.11 116.25 120.14 1f68 h VAL 800 Ca 0.25 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.83 1f68 h VAL 800 Cb 0.23 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 1f68 h VAL 800 CO -0.02 0.00 0.07 0.40 0.02 0.00 0.00 177.57 178.05 1f68 h ILE 801 N -0.34 0.79 0.14 4.57 2.04 -0.97 -0.74 117.51 123.00 1f68 h ILE 801 Ca -0.00 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.81 1f68 h ILE 801 Cb 0.31 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1f68 h ILE 801 CO -0.03 0.04 -0.27 0.00 0.00 0.00 0.00 178.15 177.89 1f68 h ALA 802 N 1.30 -0.47 -0.48 1.87 0.00 -0.37 0.57 119.26 121.67 1f68 h ALA 802 Ca 0.19 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1f68 h ALA 802 Cb 0.23 0.43 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 1f68 h ALA 802 CO -0.25 -0.81 -0.39 -0.91 0.00 0.00 0.00 179.25 176.89 1f68 h ASN 803 N -0.49 -1.33 0.27 0.00 2.35 -0.34 0.22 115.58 116.27 1f68 h ASN 803 Ca 0.03 0.22 0.01 0.00 -0.55 0.00 0.00 56.30 56.00 1f68 h ASN 803 Cb 0.51 0.61 -0.04 0.00 0.05 0.00 0.00 38.32 39.45 1f68 h ASN 803 CO -0.14 -0.34 -0.45 0.00 -1.65 0.00 0.00 177.43 174.85 1f68 h ARG 805 N -0.79 0.00 -0.01 0.00 3.08 -0.32 0.10 114.38 116.45 1f68 h ARG 805 Ca -0.01 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 1f68 h ARG 805 Cb 0.75 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.81 1f68 h ARG 805 CO -0.17 0.23 -0.45 0.93 -1.07 0.00 0.00 179.97 179.44 1f68 h GLU 806 N 0.00 0.31 0.41 0.04 5.08 -0.50 -3.38 114.58 116.54 1f68 h GLU 806 Ca -0.00 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 1f68 h GLU 806 Cb 0.84 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1f68 h GLU 806 CO 0.03 1.02 -0.20 -0.92 -1.00 0.00 0.00 179.01 177.94 1f68 h TYR 807 N -0.26 -0.51 -4.04 4.33 3.20 -0.62 -3.45 116.97 115.62 1f68 h TYR 807 Ca -0.05 -0.01 -0.44 0.00 3.14 0.00 0.00 58.73 61.36 1f68 h TYR 807 Cb 1.17 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.59 1f68 h TYR 807 CO 0.16 -0.20 0.34 -0.80 -1.64 0.00 0.00 178.16 176.02 1f68 s ASN 808 N -4.88 6.97 0.69 -2.11 0.01 0.32 -5.03 114.94 110.92 1f68 s ASN 808 Ca -0.15 1.72 -0.16 0.00 -0.71 0.00 0.00 52.86 53.56 1f68 s ASN 808 Cb 0.02 -2.55 0.02 0.00 0.41 0.00 0.00 41.25 39.16 1f68 s ASN 808 CO 0.54 -0.33 1.21 -2.16 -1.51 0.00 0.00 177.10 174.85 1f68 s PRO 809 N -3.03 2.36 0.03 -0.60 0.04 -1.26 -4.75 135.00 127.78 1f68 s PRO 809 Ca 0.61 1.78 -0.07 0.00 0.04 0.00 0.00 61.00 63.36 1f68 s PRO 809 Cb -0.10 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 1f68 s PRO 809 CO 0.15 -1.67 1.11 -1.35 0.04 0.00 0.00 177.00 175.28 1f68 h PRO 810 N 0.01 -0.07 -1.97 0.56 0.11 -1.96 -2.94 132.00 125.74 1f68 h PRO 810 Ca -0.48 0.01 -0.30 0.00 0.11 0.00 0.00 66.00 65.33 1f68 h PRO 810 Cb 1.30 0.02 -0.11 0.00 0.11 0.00 0.00 31.00 32.31 1f68 h PRO 810 CO 0.51 -0.05 -0.02 -3.47 -0.21 0.00 0.00 178.00 174.76 1f68 n ASP 811 N -3.28 5.79 -4.95 -2.05 2.03 -1.26 -4.64 116.55 108.18 1f68 n ASP 811 Ca -0.01 -2.79 -0.23 0.00 0.52 0.00 0.00 54.79 52.29 1f68 n ASP 811 Cb 0.07 -1.31 -0.01 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 1.27 6.16 0.22 1.67 1.04 -1.11 -4.98 113.70 117.96 1f68 s SER 812 Ca 0.57 0.28 -0.09 0.00 0.48 0.00 0.00 55.95 57.19 1f68 s SER 812 Cb 0.32 -1.80 0.22 0.00 0.10 0.00 0.00 66.02 64.86 1f68 s SER 812 CO -0.08 -0.37 1.86 -0.33 0.98 0.00 0.00 173.24 175.29 1f68 h GLU 813 N 0.75 0.89 0.13 4.02 3.07 -1.91 -0.49 114.58 121.05 1f68 h GLU 813 Ca -0.49 -0.05 0.02 0.00 -0.50 0.00 0.00 59.36 58.34 1f68 h GLU 813 Cb 1.23 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.91 1f68 h GLU 813 CO 0.59 0.59 -0.28 1.88 -1.40 0.00 0.00 179.01 180.39 1f68 h TYR 814 N 0.92 -0.76 -0.37 4.33 0.05 -1.94 1.00 116.97 120.19 1f68 h TYR 814 Ca 0.30 0.02 0.03 0.00 0.05 0.00 0.00 58.73 59.14 1f68 h TYR 814 Cb 0.03 0.32 -0.03 0.00 1.01 0.00 0.00 36.73 38.05 1f68 h TYR 814 CO -0.04 -0.39 0.16 0.00 -1.05 0.00 0.00 178.16 176.85 1f68 h ARG 816 N 0.34 -0.28 -0.48 0.00 3.08 -0.88 0.84 114.38 117.00 1f68 h ARG 816 Ca 0.16 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.27 1f68 h ARG 816 Cb 0.10 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 1f68 h ARG 816 CO -0.14 -0.19 0.25 0.00 -1.07 0.00 0.00 179.97 178.82 1f68 h ALA 818 N 1.25 0.70 -0.46 0.00 0.00 -0.40 0.69 119.26 121.05 1f68 h ALA 818 Ca 0.21 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 1f68 h ALA 818 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1f68 h ALA 818 CO -0.14 0.16 -0.27 0.77 0.00 0.00 0.00 179.25 179.77 1f68 h SER 819 N 0.74 1.03 -0.09 0.00 0.02 -0.18 0.23 113.55 115.29 1f68 h SER 819 Ca 0.20 -0.42 0.01 0.00 -0.84 0.00 0.00 61.79 60.74 1f68 h SER 819 Cb -0.05 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.19 1f68 h SER 819 CO -0.04 1.22 0.04 0.00 -1.14 0.00 0.00 176.83 176.91 1f68 h ALA 820 N 0.84 0.11 -0.52 3.77 0.00 -0.54 0.00 119.26 122.92 1f68 h ALA 820 Ca 0.10 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1f68 h ALA 820 Cb 0.85 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1f68 h ALA 820 CO 0.08 -0.42 0.27 1.25 0.00 0.00 0.00 179.25 180.42 1f68 h LEU 821 N 0.09 0.39 0.10 0.00 5.85 -0.63 -0.19 115.31 120.91 1f68 h LEU 821 Ca 0.04 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1f68 h LEU 821 Cb 0.01 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1f68 h LEU 821 CO -0.03 0.27 -0.29 -0.08 -0.34 0.00 0.00 178.44 177.96 1f68 h GLU 822 N 0.52 -0.48 -0.34 1.25 4.81 -0.23 0.36 114.58 120.47 1f68 h GLU 822 Ca 0.23 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.54 1f68 h GLU 822 Cb 0.13 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 1f68 h GLU 822 CO -0.15 -0.32 0.09 -0.22 -0.73 0.00 0.00 179.01 177.68 1f68 h LYS 823 N -0.50 0.21 -0.78 1.92 3.64 -0.68 0.80 116.57 121.18 1f68 h LYS 823 Ca 0.04 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1f68 h LYS 823 Cb 0.54 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 1f68 h LYS 823 CO -0.19 0.14 0.29 0.35 -2.27 0.00 0.00 179.45 177.77 1f68 h PHE 824 N 0.22 1.22 0.52 1.91 3.57 -0.69 -0.83 116.94 122.87 1f68 h PHE 824 Ca 0.16 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1f68 h PHE 824 Cb 0.16 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 1f68 h PHE 824 CO -0.17 0.93 -0.42 0.35 -2.23 0.00 0.00 178.31 176.78 1f68 h PHE 825 N 1.15 -1.12 -0.78 0.41 3.57 0.22 0.14 116.94 120.54 1f68 h PHE 825 Ca 0.26 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.85 1f68 h PHE 825 Cb 0.25 0.42 -0.07 0.00 2.79 0.00 0.00 35.95 39.34 1f68 h PHE 825 CO 0.02 -0.59 0.42 1.88 -2.23 0.00 0.00 178.31 177.81 1f68 h TYR 826 N -0.92 0.76 0.51 0.41 0.05 -0.63 0.12 116.97 117.27 1f68 h TYR 826 Ca -0.06 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 1f68 h TYR 826 Cb 0.78 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 38.28 1f68 h TYR 826 CO -0.17 0.29 -0.44 0.35 -1.05 0.00 0.00 178.16 177.15 1f68 h PHE 827 N 0.71 -1.18 -0.07 4.88 3.57 -1.00 -3.07 116.94 120.76 1f68 h PHE 827 Ca 0.38 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.90 1f68 h PHE 827 Cb 0.37 0.45 -0.00 0.00 2.79 0.00 0.00 35.95 39.56 1f68 h PHE 827 CO -0.08 -0.61 0.07 0.87 -2.23 0.00 0.00 178.31 176.33 1f68 h LYS 828 N -0.94 0.00 -0.90 1.11 1.57 0.68 -0.09 116.57 118.00 1f68 h LYS 828 Ca -0.06 0.00 0.25 0.00 -1.87 0.00 0.00 60.65 58.97 1f68 h LYS 828 Cb 0.80 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.07 1f68 h LYS 828 CO -0.02 0.00 0.64 -0.07 -0.57 0.00 0.00 179.45 179.43 1f68 h LEU 829 N 0.00 0.09 -0.69 2.94 3.38 -0.73 0.30 115.31 120.61 1f68 h LEU 829 Ca 0.03 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1f68 h LEU 829 Cb 0.17 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1f68 h LEU 829 CO -0.00 0.03 -0.44 0.11 0.09 0.00 0.00 178.44 178.24 1f68 h LYS 830 N 0.09 0.50 0.15 1.13 1.57 -1.13 -3.34 116.57 115.53 1f68 h LYS 830 Ca 0.44 -0.26 -0.33 0.00 -1.87 0.00 0.00 60.65 58.63 1f68 h LYS 830 Cb 1.61 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.93 1f68 h LYS 830 CO -0.05 0.84 -1.71 0.93 -0.57 0.00 0.00 179.45 178.89 1f68 h GLU 831 N 0.40 0.31 0.00 3.15 5.08 -0.66 -3.53 114.58 119.34 1f68 h GLU 831 Ca 0.03 -0.54 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1f68 h GLU 831 Cb 0.93 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1f68 h GLU 831 CO 0.08 1.26 0.00 0.41 -1.00 0.00 0.00 179.01 179.76