#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f68 s ASP 731 N 0.00 6.68 0.11 1.61 2.15 -1.26 -5.00 116.67 120.96 1f68 s ASP 731 Ca 0.00 0.81 -0.27 0.00 0.43 0.00 0.00 52.55 53.52 1f68 s ASP 731 Cb 0.00 -2.20 -0.10 0.00 -0.30 0.00 0.00 42.92 40.33 1f68 s ASP 731 CO 0.00 0.34 1.64 1.56 -0.17 0.00 0.00 175.17 178.55 1f68 h GLN 732 N 4.74 -0.46 -0.05 4.34 1.08 -2.05 0.13 115.11 122.84 1f68 h GLN 732 Ca -0.52 0.03 0.01 0.00 -1.45 0.00 0.00 58.65 56.72 1f68 h GLN 732 Cb 1.22 0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.74 1f68 h GLN 732 CO 0.61 -0.31 -0.04 1.25 -0.95 0.00 0.00 178.83 179.39 1f68 h LEU 733 N -0.48 -0.13 -0.38 1.46 5.85 -1.98 0.12 115.31 119.76 1f68 h LEU 733 Ca 0.02 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.83 1f68 h LEU 733 Cb 0.48 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.52 1f68 h LEU 733 CO -0.11 -0.06 0.05 0.22 -0.34 0.00 0.00 178.44 178.20 1f68 h TYR 734 N -0.05 0.07 -0.75 1.25 3.20 -1.86 0.12 116.97 118.95 1f68 h TYR 734 Ca 0.03 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1f68 h TYR 734 Cb 0.10 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 1f68 h TYR 734 CO -0.14 -0.02 0.42 1.15 -1.64 0.00 0.00 178.16 177.93 1f68 h THR 735 N 0.16 1.22 0.14 1.81 2.02 -0.38 0.12 112.91 118.01 1f68 h THR 735 Ca 0.19 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1f68 h THR 735 Cb 0.24 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1f68 h THR 735 CO -0.27 0.25 -0.13 0.74 0.37 0.00 0.00 175.52 176.48 1f68 h THR 736 N 1.03 0.72 -0.50 3.16 2.02 0.06 0.02 112.91 119.42 1f68 h THR 736 Ca 0.26 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.50 1f68 h THR 736 Cb 0.02 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.10 1f68 h THR 736 CO -0.04 0.00 0.20 -0.07 0.37 0.00 0.00 175.52 175.98 1f68 h LEU 737 N -0.29 0.24 0.23 2.58 3.38 -0.35 0.23 115.31 121.32 1f68 h LEU 737 Ca 0.00 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1f68 h LEU 737 Cb 0.27 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1f68 h LEU 737 CO -0.03 0.17 -0.27 0.50 0.09 0.00 0.00 178.44 178.90 1f68 h LYS 738 N 0.39 -0.52 -0.54 1.13 1.63 -0.53 0.82 116.57 118.96 1f68 h LYS 738 Ca 0.23 0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 60.03 1f68 h LYS 738 Cb 0.22 0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.94 1f68 h LYS 738 CO -0.21 -0.35 0.19 -0.91 -3.45 0.00 0.00 179.45 174.72 1f68 h ASN 739 N -0.54 0.76 0.36 4.20 2.35 -0.64 0.61 115.58 122.67 1f68 h ASN 739 Ca 0.00 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1f68 h ASN 739 Cb 0.52 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 1f68 h ASN 739 CO -0.08 0.74 -0.48 0.25 -1.65 0.00 0.00 177.43 176.21 1f68 h LEU 740 N 0.73 -1.35 -0.08 1.61 5.85 -0.41 0.26 115.31 121.92 1f68 h LEU 740 Ca 0.18 0.12 0.04 0.00 0.84 0.00 0.00 57.88 59.06 1f68 h LEU 740 Cb 0.24 0.47 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 1f68 h LEU 740 CO -0.01 -0.60 -0.18 0.25 -0.34 0.00 0.00 178.44 177.56 1f68 h LEU 741 N -0.88 -0.54 -0.26 2.25 5.85 -0.71 -0.84 115.31 120.19 1f68 h LEU 741 Ca -0.03 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.83 1f68 h LEU 741 Cb 0.80 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 1f68 h LEU 741 CO -0.13 -0.23 -0.10 0.00 -0.34 0.00 0.00 178.44 177.64 1f68 h ALA 742 N 0.74 0.12 -0.21 1.25 0.00 -0.69 0.13 119.26 120.61 1f68 h ALA 742 Ca 0.08 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1f68 h ALA 742 Cb 0.36 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1f68 h ALA 742 CO -0.23 -0.50 0.02 1.96 0.00 0.00 0.00 179.25 180.50 1f68 h GLN 743 N -0.05 0.09 -0.30 0.00 4.20 -0.68 0.13 115.11 118.50 1f68 h GLN 743 Ca 0.13 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.86 1f68 h GLN 743 Cb 0.25 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 1f68 h GLN 743 CO -0.29 0.06 0.13 0.82 -0.67 0.00 0.00 178.83 178.88 1f68 h ILE 744 N 0.10 0.95 -0.93 2.54 2.04 -0.44 0.78 117.51 122.55 1f68 h ILE 744 Ca 0.09 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1f68 h ILE 744 Cb 0.10 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 1f68 h ILE 744 CO -0.14 0.05 0.62 0.11 0.00 0.00 0.00 178.15 178.78 1f68 h LYS 745 N 0.27 1.22 -0.67 2.37 1.57 -0.48 -1.97 116.57 118.88 1f68 h LYS 745 Ca 0.13 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1f68 h LYS 745 Cb 0.08 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 1f68 h LYS 745 CO -0.12 0.81 0.37 0.77 -0.57 0.00 0.00 179.45 180.71 1f68 h SER 746 N 1.25 0.82 -2.34 0.86 0.02 0.10 -3.43 113.55 110.84 1f68 h SER 746 Ca 0.34 -0.06 -0.54 0.00 -0.84 0.00 0.00 61.79 60.69 1f68 h SER 746 Cb -0.14 -0.21 0.02 0.00 0.14 0.00 0.00 62.40 62.22 1f68 h SER 746 CO -0.08 0.66 1.21 1.57 -1.14 0.00 0.00 176.83 179.05 1f68 n HIS 747 N -4.38 2.51 -0.33 3.45 -0.00 0.19 -4.86 115.22 111.80 1f68 n HIS 747 Ca 0.07 -0.32 0.19 0.00 -0.00 0.00 0.00 57.72 57.66 1f68 n HIS 747 Cb 0.10 -2.78 0.37 0.00 -0.00 0.00 0.00 29.99 27.68 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 10.22 0.02 -1.70 1.57 0.11 -1.84 -0.12 132.00 140.26 1f68 h PRO 748 Ca -0.49 -0.00 0.53 0.00 0.11 0.00 0.00 66.00 66.14 1f68 h PRO 748 Cb 1.24 -0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.24 1f68 h PRO 748 CO 0.94 0.01 1.18 0.43 -0.21 0.00 0.00 178.00 180.35 1f68 n SER 749 N -5.41 0.09 0.28 -2.05 7.64 -1.26 -0.82 113.62 112.08 1f68 n SER 749 Ca 0.27 1.14 0.14 0.00 1.01 0.00 0.00 58.87 61.43 1f68 n SER 749 Cb 0.90 -0.56 0.82 0.00 -1.01 0.00 0.00 64.21 64.35 1f68 n SER 749 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1f68 h ALA 750 N 1.22 1.42 -0.92 -0.43 0.00 -1.22 -3.38 119.26 115.96 1f68 h ALA 750 Ca 0.90 -0.06 0.21 0.00 0.00 0.00 0.00 54.91 55.96 1f68 h ALA 750 Cb 3.33 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 20.94 1f68 h ALA 750 CO -0.20 0.08 -0.11 0.11 0.00 0.00 0.00 179.25 179.12 1f68 h TRP 751 N 0.00 -0.28 0.00 0.00 5.08 -1.20 0.21 115.95 119.76 1f68 h TRP 751 Ca -0.00 0.08 0.00 0.00 1.08 0.00 0.00 58.89 60.04 1f68 h TRP 751 Cb 0.16 0.27 0.00 0.00 -3.00 0.00 0.00 29.16 26.59 1f68 h TRP 751 CO 0.00 -0.38 0.00 -0.35 -1.28 0.00 0.00 178.44 176.43 1f68 n PRO 752 N -5.52 0.12 -0.07 0.12 -0.05 -1.26 -3.55 135.00 124.80 1f68 n PRO 752 Ca 0.17 0.09 0.04 0.00 -0.05 0.00 0.00 63.50 63.75 1f68 n PRO 752 Cb 0.56 -1.50 0.07 0.00 -0.05 0.00 0.00 33.50 32.58 1f68 n PRO 752 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 1f68 n PHE 753 N -1.42 0.12 0.05 0.54 3.72 0.06 -4.75 117.46 115.78 1f68 n PHE 753 Ca 0.08 -0.65 -0.02 0.00 -0.05 0.00 0.00 57.45 56.81 1f68 n PHE 753 Cb 0.24 -0.09 -0.01 0.00 -0.94 0.00 0.00 39.48 38.68 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 0.37 -0.13 -7.06 -1.08 2.86 -1.59 0.92 114.93 109.22 1f68 h MET 754 Ca 0.00 0.01 -0.50 0.00 -2.06 0.00 0.00 59.70 57.15 1f68 h MET 754 Cb 0.71 0.03 0.04 0.00 0.06 0.00 0.00 31.60 32.44 1f68 h MET 754 CO 0.01 -0.09 0.22 -1.21 1.06 0.00 0.00 176.91 176.90 1f68 s GLU 755 N -3.23 3.62 0.91 1.72 2.02 -1.26 -0.53 118.70 121.95 1f68 s GLU 755 Ca -0.02 0.44 -0.12 0.00 0.02 0.00 0.00 54.97 55.30 1f68 s GLU 755 Cb 0.00 -2.28 0.13 0.00 0.10 0.00 0.00 34.13 32.09 1f68 s GLU 755 CO 0.06 -0.29 1.11 -1.25 0.02 0.00 0.00 175.26 174.91 1f68 s PRO 756 N -4.69 1.18 -0.07 0.39 0.04 -1.26 -4.82 135.00 125.77 1f68 s PRO 756 Ca 0.51 0.54 -0.29 0.00 0.04 0.00 0.00 61.00 61.80 1f68 s PRO 756 Cb -0.10 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.54 1f68 s PRO 756 CO 0.45 -2.22 1.98 0.08 0.04 0.00 0.00 177.00 177.33 1f68 s VAL 757 N -3.09 3.13 0.58 -0.36 1.01 -1.26 -4.93 120.40 115.46 1f68 s VAL 757 Ca 0.63 0.14 -0.11 0.00 0.00 0.00 0.00 61.98 62.65 1f68 s VAL 757 Cb -0.16 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1f68 s VAL 757 CO 0.55 -0.04 0.98 -0.54 0.00 0.00 0.00 175.10 176.05 1f68 s LYS 758 N 5.02 3.64 0.35 2.72 1.02 -1.26 -4.81 119.74 126.41 1f68 s LYS 758 Ca 0.89 0.67 0.07 0.00 0.02 0.00 0.00 55.97 57.63 1f68 s LYS 758 Cb -0.37 -2.15 0.76 0.00 -0.52 0.00 0.00 37.83 35.55 1f68 s LYS 758 CO 0.38 -0.46 1.91 0.87 -0.92 0.00 0.00 175.35 177.13 1f68 h LYS 759 N -0.03 0.73 0.00 1.68 1.79 -1.92 0.16 116.57 118.98 1f68 h LYS 759 Ca -0.45 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 57.97 1f68 h LYS 759 Cb 1.19 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 31.68 1f68 h LYS 759 CO 0.62 0.48 -0.01 0.66 -1.08 0.00 0.00 179.45 180.12 1f68 h SER 760 N 0.75 0.00 0.00 0.86 4.64 -2.01 -3.22 113.55 114.58 1f68 h SER 760 Ca 0.39 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.61 1f68 h SER 760 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1f68 h SER 760 CO -0.15 0.01 -0.72 -0.33 -0.87 0.00 0.00 176.83 174.77 1f68 h GLU 761 N 0.00 0.00 -1.03 4.77 5.08 -1.15 -3.47 114.58 118.77 1f68 h GLU 761 Ca -0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1f68 h GLU 761 Cb 0.03 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.09 1f68 h GLU 761 CO 0.00 0.48 -0.47 0.00 -1.00 0.00 0.00 179.01 178.03 1f68 s ALA 762 N -2.52 -2.24 0.26 3.43 0.00 0.01 -5.01 121.76 115.69 1f68 s ALA 762 Ca -0.19 0.03 -0.01 0.00 0.00 0.00 0.00 51.96 51.78 1f68 s ALA 762 Cb 0.03 -2.71 0.58 0.00 0.00 0.00 0.00 23.12 21.02 1f68 s ALA 762 CO 0.38 -2.22 1.68 -1.35 0.00 0.00 0.00 175.76 174.26 1f68 h PRO 763 N 6.55 0.30 -1.33 0.00 0.11 -1.74 -0.36 132.00 135.52 1f68 h PRO 763 Ca 0.05 -0.02 0.39 0.00 0.11 0.00 0.00 66.00 66.54 1f68 h PRO 763 Cb 1.16 -0.07 -0.08 0.00 0.11 0.00 0.00 31.00 32.12 1f68 h PRO 763 CO 0.08 0.20 0.92 0.38 -0.21 0.00 0.00 178.00 179.38 1f68 h ASP 764 N 0.31 0.14 -0.81 -2.05 2.03 -1.95 -0.12 116.42 113.98 1f68 h ASP 764 Ca 0.48 0.05 0.19 0.00 -0.73 0.00 0.00 57.03 57.01 1f68 h ASP 764 Cb 0.87 0.03 -0.12 0.00 -0.83 0.00 0.00 39.33 39.28 1f68 h ASP 764 CO -0.54 -0.02 0.26 0.22 -1.03 0.00 0.00 179.24 178.13 1f68 h TYR 765 N 0.10 0.41 0.00 4.15 3.20 -1.43 0.57 116.97 123.97 1f68 h TYR 765 Ca 0.70 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.59 1f68 h TYR 765 Cb 2.46 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 40.67 1f68 h TYR 765 CO -0.00 -0.08 -0.11 1.88 -1.64 0.00 0.00 178.16 178.21 1f68 h TYR 766 N 0.32 0.00 0.13 -3.82 -1.99 -1.20 0.34 116.97 110.75 1f68 h TYR 766 Ca 0.48 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 61.03 1f68 h TYR 766 Cb 0.85 0.00 0.02 0.00 2.00 0.00 0.00 36.73 39.60 1f68 h TYR 766 CO -0.22 0.11 -0.75 0.93 -0.00 0.00 0.00 178.16 178.22 1f68 h GLU 767 N 0.00 0.28 0.02 4.88 4.39 -1.19 -3.32 114.58 119.64 1f68 h GLU 767 Ca -0.00 -0.48 -0.00 0.00 0.34 0.00 0.00 59.36 59.22 1f68 h GLU 767 Cb 0.99 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1f68 h GLU 767 CO 0.01 1.23 -0.01 0.28 -1.16 0.00 0.00 179.01 179.36 1f68 h VAL 768 N -0.41 0.00 -0.72 3.13 2.07 -0.93 -3.38 116.25 116.01 1f68 h VAL 768 Ca -0.13 -0.69 -0.72 0.00 0.82 0.00 0.00 66.70 65.99 1f68 h VAL 768 Cb 1.59 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.27 1f68 h VAL 768 CO 0.14 0.00 2.50 -0.38 0.02 0.00 0.00 177.57 179.85 1f68 n ILE 769 N -3.96 3.85 0.26 4.57 2.08 0.12 -4.78 119.36 121.50 1f68 n ILE 769 Ca -0.00 -3.74 0.16 0.00 0.56 0.00 0.00 62.75 59.73 1f68 n ILE 769 Cb 0.01 -2.48 0.78 0.00 -0.75 0.00 0.00 39.64 37.19 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 6.40 0.00 -3.14 0.38 3.08 -1.75 -3.18 114.38 116.17 1f68 h ARG 770 Ca 0.48 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 59.80 1f68 h ARG 770 Cb 0.71 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 30.43 1f68 h ARG 770 CO 1.67 0.00 0.14 1.19 -1.07 0.00 0.00 179.97 181.90 1f68 n PHE 771 N -3.12 3.97 -2.12 3.04 3.72 -1.26 -5.03 117.46 116.66 1f68 n PHE 771 Ca 0.01 -3.77 -0.42 0.00 -0.05 0.00 0.00 57.45 53.22 1f68 n PHE 771 Cb 0.47 -1.21 -0.03 0.00 -0.94 0.00 0.00 39.48 37.77 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 -1.80 4.30 0.09 -1.08 0.04 -1.20 -5.00 135.00 130.36 1f68 s PRO 772 Ca 0.31 2.15 -0.14 0.00 0.04 0.00 0.00 61.00 63.36 1f68 s PRO 772 Cb -0.02 -3.21 0.02 0.00 0.04 0.00 0.00 34.50 31.33 1f68 s PRO 772 CO -0.06 -0.44 0.32 -1.50 0.04 0.00 0.00 177.00 175.37 1f68 s ILE 773 N 0.85 0.09 -0.04 0.56 1.10 -1.26 -5.14 121.20 117.37 1f68 s ILE 773 Ca 0.64 -0.76 -0.31 0.00 -0.51 0.00 0.00 60.65 59.72 1f68 s ILE 773 Cb -0.39 -1.16 0.11 0.00 0.15 0.00 0.00 42.46 41.18 1f68 s ILE 773 CO 0.33 -0.42 1.17 1.51 -2.11 0.00 0.00 174.94 175.42 1f68 s ASP 774 N -2.63 -0.13 0.20 4.50 -4.77 -1.26 -4.79 116.67 107.79 1f68 s ASP 774 Ca 0.02 -0.13 -0.05 0.00 -3.30 0.00 0.00 52.55 49.09 1f68 s ASP 774 Cb 0.02 0.23 0.15 0.00 -1.09 0.00 0.00 42.92 42.24 1f68 s ASP 774 CO -0.10 -0.41 1.59 -0.07 0.70 0.00 0.00 175.17 176.89 1f68 h LEU 775 N 2.00 0.79 0.09 2.11 3.38 -0.73 0.89 115.31 123.83 1f68 h LEU 775 Ca -0.23 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.43 1f68 h LEU 775 Cb 1.20 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 1f68 h LEU 775 CO 0.27 1.02 -0.06 0.50 0.09 0.00 0.00 178.44 180.26 1f68 h LYS 776 N 0.65 -0.15 -0.60 1.13 3.64 -1.00 0.15 116.57 120.40 1f68 h LYS 776 Ca 0.08 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.53 1f68 h LYS 776 Cb 0.81 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.61 1f68 h LYS 776 CO 0.07 -0.10 0.29 1.15 -2.27 0.00 0.00 179.45 178.59 1f68 h THR 777 N -0.15 0.90 -0.95 1.00 2.02 -1.71 0.12 112.91 114.15 1f68 h THR 777 Ca -0.00 -0.19 0.08 0.00 0.77 0.00 0.00 66.41 67.07 1f68 h THR 777 Cb 0.14 0.32 -0.07 0.00 -1.74 0.00 0.00 68.15 66.79 1f68 h THR 777 CO -0.00 0.10 0.60 0.24 0.37 0.00 0.00 175.52 176.82 1f68 h MET 778 N 0.54 1.01 -0.59 6.66 2.86 -0.42 0.11 114.93 125.10 1f68 h MET 778 Ca 0.28 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 1f68 h MET 778 Cb 0.23 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1f68 h MET 778 CO -0.21 0.67 0.32 1.15 1.06 0.00 0.00 176.91 179.90 1f68 h THR 779 N 1.04 1.19 -0.15 2.22 2.02 0.12 0.17 112.91 119.53 1f68 h THR 779 Ca 0.43 -0.49 0.03 0.00 0.77 0.00 0.00 66.41 67.15 1f68 h THR 779 Cb 0.26 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 1f68 h THR 779 CO -0.20 0.21 -0.03 -0.33 0.37 0.00 0.00 175.52 175.53 1f68 h GLU 780 N 0.80 0.01 -0.66 6.66 4.39 0.08 0.19 114.58 126.06 1f68 h GLU 780 Ca 0.21 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 1f68 h GLU 780 Cb 0.05 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 1f68 h GLU 780 CO -0.03 0.01 0.42 0.00 -1.16 0.00 0.00 179.01 178.25 1f68 h ARG 781 N 0.01 0.87 -0.34 2.33 2.47 -0.40 0.14 114.38 119.45 1f68 h ARG 781 Ca 0.07 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.70 1f68 h ARG 781 Cb 0.11 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.22 1f68 h ARG 781 CO -0.15 0.59 0.08 1.25 0.56 0.00 0.00 179.97 182.30 1f68 h LEU 782 N 0.89 0.52 -1.35 3.04 5.85 -0.50 0.63 115.31 124.40 1f68 h LEU 782 Ca 0.24 -0.23 0.09 0.00 0.84 0.00 0.00 57.88 58.82 1f68 h LEU 782 Cb -0.08 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.76 1f68 h LEU 782 CO -0.05 0.62 0.51 0.03 -0.34 0.00 0.00 178.44 179.21 1f68 h ARG 783 N 0.40 0.72 0.00 1.25 3.08 -0.48 0.15 114.38 119.49 1f68 h ARG 783 Ca 0.11 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1f68 h ARG 783 Cb 0.30 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1f68 h ARG 783 CO 0.00 0.47 0.00 0.43 -1.07 0.00 0.00 179.97 179.81 1f68 n SER 784 N -4.50 0.00 -1.22 7.04 7.64 0.44 -4.89 113.62 118.13 1f68 n SER 784 Ca 0.13 -1.79 -0.16 0.00 1.01 0.00 0.00 58.87 58.05 1f68 n SER 784 Cb 0.30 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.44 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 -0.59 -1.29 -0.23 1.43 0.00 0.51 -4.89 116.66 111.60 1f68 n ARG 785 Ca 0.04 1.05 0.00 0.00 -0.00 0.00 0.00 57.85 58.95 1f68 n ARG 785 Cb 0.02 -5.31 0.12 0.00 0.00 0.00 0.00 32.46 27.29 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 0.00 0.61 -0.19 -0.14 3.20 -1.11 -3.31 116.97 116.03 1f68 h TYR 786 Ca -0.33 0.03 -0.60 0.00 3.14 0.00 0.00 58.73 60.97 1f68 h TYR 786 Cb 1.13 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.22 1f68 h TYR 786 CO 0.50 0.24 2.21 0.66 -1.64 0.00 0.00 178.16 180.13 1f68 n TYR 787 N -4.86 2.71 0.05 -3.82 4.01 -1.26 -4.67 117.16 109.32 1f68 n TYR 787 Ca 0.10 -2.10 -0.01 0.00 -0.16 0.00 0.00 57.90 55.73 1f68 n TYR 787 Cb 0.24 -2.18 0.27 0.00 -0.31 0.00 0.00 39.34 37.36 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 4.84 1.24 -4.23 -0.72 -1.51 -1.99 -3.43 116.25 110.45 1f68 h VAL 788 Ca 0.42 -1.10 -0.53 0.00 -1.23 0.00 0.00 66.70 64.26 1f68 h VAL 788 Cb 0.74 1.29 -0.28 0.00 -2.13 0.00 0.00 31.29 30.91 1f68 h VAL 788 CO 1.74 0.35 -0.83 0.42 -1.23 0.00 0.00 177.57 178.02 1f68 s THR 789 N -4.59 1.34 0.44 7.19 -4.23 -1.26 -5.04 115.64 109.49 1f68 s THR 789 Ca -0.06 -0.83 0.16 0.00 -1.18 0.00 0.00 61.69 59.78 1f68 s THR 789 Cb 0.14 -1.14 0.36 0.00 1.34 0.00 0.00 72.50 73.20 1f68 s THR 789 CO 0.77 0.29 1.93 -0.09 -0.54 0.00 0.00 174.62 176.98 1f68 h ARG 790 N 5.46 0.37 -0.92 3.99 2.43 -1.99 -0.85 114.38 122.88 1f68 h ARG 790 Ca -0.37 -0.02 0.24 0.00 -0.81 0.00 0.00 59.98 59.02 1f68 h ARG 790 Cb 1.16 -0.08 -0.16 0.00 -0.42 0.00 0.00 29.97 30.46 1f68 h ARG 790 CO 0.47 0.24 0.06 -0.22 -1.51 0.00 0.00 179.97 179.01 1f68 h LYS 791 N 0.38 0.06 -0.55 0.20 1.63 -1.97 0.26 116.57 116.58 1f68 h LYS 791 Ca 0.35 -0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 60.10 1f68 h LYS 791 Cb 0.84 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.43 1f68 h LYS 791 CO -0.10 0.04 0.15 -0.07 -3.45 0.00 0.00 179.45 176.02 1f68 h LEU 792 N 0.06 0.77 -0.08 5.20 3.38 -1.55 0.69 115.31 123.79 1f68 h LEU 792 Ca 0.55 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.36 1f68 h LEU 792 Cb 1.10 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1f68 h LEU 792 CO -0.82 0.74 -0.06 0.15 0.09 0.00 0.00 178.44 178.54 1f68 h PHE 793 N 0.81 0.21 -0.49 1.13 3.57 -0.70 0.29 116.94 121.76 1f68 h PHE 793 Ca 0.18 -0.06 0.10 0.00 3.53 0.00 0.00 57.97 61.72 1f68 h PHE 793 Cb 0.27 -0.05 -0.09 0.00 2.79 0.00 0.00 35.95 38.87 1f68 h PHE 793 CO 0.02 0.60 -0.11 0.28 -2.23 0.00 0.00 178.31 176.87 1f68 h VAL 794 N -0.23 0.52 0.95 1.41 2.07 -0.58 0.54 116.25 120.93 1f68 h VAL 794 Ca 0.01 -0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.48 1f68 h VAL 794 Cb 0.55 0.51 0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1f68 h VAL 794 CO 0.02 0.00 -0.45 0.00 0.02 0.00 0.00 177.57 177.15 1f68 h ALA 795 N 1.48 -1.30 -0.47 1.67 0.00 -0.78 -2.76 119.26 117.09 1f68 h ALA 795 Ca 0.24 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1f68 h ALA 795 Cb 0.36 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1f68 h ALA 795 CO -0.49 -1.21 0.19 -0.44 0.00 0.00 0.00 179.25 177.30 1f68 h ASP 796 N -1.31 0.22 -0.40 0.00 5.19 -0.61 0.27 116.42 119.79 1f68 h ASP 796 Ca -0.13 0.05 -0.08 0.00 -0.62 0.00 0.00 57.03 56.25 1f68 h ASP 796 Cb 0.97 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.49 1f68 h ASP 796 CO 0.21 0.16 -0.05 0.25 -3.12 0.00 0.00 179.24 176.69 1f68 h LEU 797 N 0.38 0.73 -1.76 1.55 6.46 -0.98 0.12 115.31 121.81 1f68 h LEU 797 Ca 0.22 -0.34 -0.01 0.00 -0.12 0.00 0.00 57.88 57.63 1f68 h LEU 797 Cb 0.20 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 1f68 h LEU 797 CO -0.20 0.90 -0.00 1.56 -0.62 0.00 0.00 178.44 180.07 1f68 h GLN 798 N 0.55 0.14 -0.46 1.25 4.20 -1.14 -0.44 115.11 119.21 1f68 h GLN 798 Ca 0.11 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 1f68 h GLN 798 Cb 0.56 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 1f68 h GLN 798 CO 0.03 0.16 0.22 -0.09 -0.67 0.00 0.00 178.83 178.48 1f68 h ARG 799 N 0.14 0.66 -0.09 1.46 2.43 0.96 0.25 114.38 120.19 1f68 h ARG 799 Ca 0.04 -0.10 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1f68 h ARG 799 Cb 0.11 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 1f68 h ARG 799 CO 0.00 0.57 -0.10 0.28 -1.51 0.00 0.00 179.97 179.21 1f68 h VAL 800 N 0.60 0.73 -0.42 0.20 2.07 0.37 0.16 116.25 119.96 1f68 h VAL 800 Ca 0.16 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.73 1f68 h VAL 800 Cb 0.13 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 1f68 h VAL 800 CO -0.02 0.00 0.13 0.40 0.02 0.00 0.00 177.57 178.10 1f68 h ILE 801 N -0.12 0.84 0.47 4.57 2.04 -0.89 -0.32 117.51 124.10 1f68 h ILE 801 Ca 0.07 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1f68 h ILE 801 Cb 0.22 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1f68 h ILE 801 CO -0.17 0.05 -0.38 0.00 0.00 0.00 0.00 178.15 177.65 1f68 h ALA 802 N 1.29 -0.88 -0.67 1.87 0.00 -0.12 -0.32 119.26 120.42 1f68 h ALA 802 Ca 0.20 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.07 1f68 h ALA 802 Cb 0.20 0.53 -0.12 0.00 0.00 0.00 0.00 17.79 18.40 1f68 h ALA 802 CO -0.22 -1.03 -0.34 -0.91 0.00 0.00 0.00 179.25 176.75 1f68 h ASN 803 N -0.85 -1.21 0.18 0.00 4.21 -0.36 0.38 115.58 117.93 1f68 h ASN 803 Ca -0.05 0.24 0.01 0.00 1.21 0.00 0.00 56.30 57.72 1f68 h ASN 803 Cb 0.73 0.61 -0.04 0.00 -1.12 0.00 0.00 38.32 38.50 1f68 h ASN 803 CO -0.02 -0.30 -0.48 0.00 -1.29 0.00 0.00 177.43 175.34 1f68 h ARG 805 N -0.76 0.00 0.04 0.00 3.08 0.19 0.12 114.38 117.06 1f68 h ARG 805 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1f68 h ARG 805 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1f68 h ARG 805 CO -0.24 0.00 -0.02 0.93 -1.07 0.00 0.00 179.97 179.57 1f68 h GLU 806 N 0.00 -0.05 0.05 0.04 5.08 -0.18 -3.40 114.58 116.11 1f68 h GLU 806 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1f68 h GLU 806 Cb 0.66 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1f68 h GLU 806 CO 0.00 0.60 -0.02 -0.92 -1.00 0.00 0.00 179.01 177.66 1f68 h TYR 807 N -0.85 -0.06 -3.85 4.33 3.20 -0.74 -3.44 116.97 115.56 1f68 h TYR 807 Ca -0.01 -0.00 -0.47 0.00 3.14 0.00 0.00 58.73 61.39 1f68 h TYR 807 Cb 0.68 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 1f68 h TYR 807 CO 0.16 0.42 0.30 -0.80 -1.64 0.00 0.00 178.16 176.60 1f68 s ASN 808 N -5.62 7.23 0.34 -2.11 0.01 0.39 -5.02 114.94 110.15 1f68 s ASN 808 Ca -0.15 1.74 -0.29 0.00 -0.71 0.00 0.00 52.86 53.44 1f68 s ASN 808 Cb 0.01 -2.54 -0.11 0.00 0.41 0.00 0.00 41.25 39.02 1f68 s ASN 808 CO 0.64 -0.09 1.43 -2.16 -1.51 0.00 0.00 177.10 175.41 1f68 s PRO 809 N -2.20 4.21 0.32 -0.60 0.04 -1.26 -4.64 135.00 130.86 1f68 s PRO 809 Ca 0.51 2.43 0.07 0.00 0.04 0.00 0.00 61.00 64.04 1f68 s PRO 809 Cb -0.17 -3.02 0.92 0.00 0.04 0.00 0.00 34.50 32.27 1f68 s PRO 809 CO 0.22 -0.42 1.56 -2.30 0.04 0.00 0.00 177.00 176.10 1f68 n PRO 810 N 0.98 -0.07 -2.64 0.56 -0.02 -1.26 -2.69 135.00 129.86 1f68 n PRO 810 Ca 0.02 1.45 -0.42 0.00 -2.02 0.00 0.00 63.50 62.54 1f68 n PRO 810 Cb 0.40 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 1f68 n PRO 810 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1f68 s ASP 811 N -4.87 6.52 0.05 2.55 2.15 -1.26 -4.69 116.67 117.12 1f68 s ASP 811 Ca -0.12 -1.55 -0.20 0.00 0.43 0.00 0.00 52.55 51.11 1f68 s ASP 811 Cb 0.30 -2.53 0.04 0.00 -0.30 0.00 0.00 42.92 40.44 1f68 s ASP 811 CO 0.77 -1.42 0.47 -0.94 -0.17 0.00 0.00 175.17 173.88 1f68 s SER 812 N 4.66 -0.37 0.21 -0.34 1.04 -1.09 -4.99 113.70 112.83 1f68 s SER 812 Ca 0.43 0.06 -0.09 0.00 0.48 0.00 0.00 55.95 56.83 1f68 s SER 812 Cb -0.01 0.47 0.28 0.00 0.10 0.00 0.00 66.02 66.85 1f68 s SER 812 CO -0.09 -0.71 1.78 -0.33 0.98 0.00 0.00 173.24 174.86 1f68 h GLU 813 N 2.82 0.55 -0.23 4.02 3.07 -1.92 -0.20 114.58 122.68 1f68 h GLU 813 Ca -0.31 -0.03 0.06 0.00 -0.50 0.00 0.00 59.36 58.57 1f68 h GLU 813 Cb 1.22 -0.12 -0.07 0.00 -0.84 0.00 0.00 28.75 28.93 1f68 h GLU 813 CO 0.42 0.36 -0.25 1.88 -1.40 0.00 0.00 179.01 180.03 1f68 h TYR 814 N 0.56 -0.67 -0.50 4.33 -1.99 -1.95 0.20 116.97 116.96 1f68 h TYR 814 Ca 0.32 0.04 0.00 0.00 2.00 0.00 0.00 58.73 61.08 1f68 h TYR 814 Cb 0.31 0.33 -0.02 0.00 2.00 0.00 0.00 36.73 39.34 1f68 h TYR 814 CO -0.11 -0.33 0.31 0.00 -0.00 0.00 0.00 178.16 178.03 1f68 h ARG 816 N 0.67 0.86 -0.16 0.00 2.47 -0.71 0.13 114.38 117.63 1f68 h ARG 816 Ca 0.18 -0.15 0.04 0.00 -1.26 0.00 0.00 59.98 58.78 1f68 h ARG 816 Cb -0.04 -0.14 -0.04 0.00 -1.65 0.00 0.00 29.97 28.11 1f68 h ARG 816 CO -0.04 0.74 -0.08 0.00 0.56 0.00 0.00 179.97 181.15 1f68 h ALA 818 N 1.08 0.98 -0.51 0.00 0.00 -0.58 0.13 119.26 120.37 1f68 h ALA 818 Ca 0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1f68 h ALA 818 Cb 0.19 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1f68 h ALA 818 CO -0.20 0.26 0.15 0.77 0.00 0.00 0.00 179.25 180.23 1f68 h SER 819 N 0.92 0.75 -0.33 0.00 0.02 -0.18 0.17 113.55 114.90 1f68 h SER 819 Ca 0.30 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1f68 h SER 819 Cb 0.02 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 1f68 h SER 819 CO -0.11 0.76 0.21 0.00 -1.14 0.00 0.00 176.83 176.55 1f68 h ALA 820 N 1.01 0.42 -0.35 3.77 0.00 -0.24 -0.62 119.26 123.24 1f68 h ALA 820 Ca 0.16 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1f68 h ALA 820 Cb 0.29 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1f68 h ALA 820 CO -0.00 -0.10 0.07 1.25 0.00 0.00 0.00 179.25 180.47 1f68 h LEU 821 N 0.44 0.02 0.37 0.00 5.85 -0.41 0.53 115.31 122.11 1f68 h LEU 821 Ca 0.12 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1f68 h LEU 821 Cb -0.03 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1f68 h LEU 821 CO -0.02 0.05 -0.46 -0.08 -0.34 0.00 0.00 178.44 177.59 1f68 h GLU 822 N 0.20 -0.83 0.13 1.25 4.81 -0.36 0.24 114.58 120.01 1f68 h GLU 822 Ca 0.17 0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.46 1f68 h GLU 822 Cb 0.19 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1f68 h GLU 822 CO -0.22 -0.56 -0.15 0.87 -0.73 0.00 0.00 179.01 178.23 1f68 h LYS 823 N -0.86 -0.31 -0.07 1.92 1.57 -0.89 0.73 116.57 118.67 1f68 h LYS 823 Ca -0.03 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1f68 h LYS 823 Cb 0.79 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 33.11 1f68 h LYS 823 CO -0.11 -0.20 -0.33 0.35 -0.57 0.00 0.00 179.45 178.58 1f68 h PHE 824 N -0.32 -0.93 -0.56 -1.35 3.57 -0.82 -1.98 116.94 114.55 1f68 h PHE 824 Ca 0.01 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.66 1f68 h PHE 824 Cb 0.31 0.42 -0.09 0.00 2.79 0.00 0.00 35.95 39.38 1f68 h PHE 824 CO -0.14 -0.42 0.03 0.35 -2.23 0.00 0.00 178.31 175.89 1f68 h PHE 825 N -0.45 0.01 -0.36 0.41 3.57 -0.24 0.65 116.94 120.54 1f68 h PHE 825 Ca 0.08 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.68 1f68 h PHE 825 Cb 0.57 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.33 1f68 h PHE 825 CO -0.39 -0.12 0.03 1.88 -2.23 0.00 0.00 178.31 177.49 1f68 h TYR 826 N 0.14 0.04 -0.51 0.41 0.05 -0.22 0.34 116.97 117.23 1f68 h TYR 826 Ca 0.29 0.02 0.04 0.00 0.05 0.00 0.00 58.73 59.13 1f68 h TYR 826 Cb 0.45 0.03 -0.04 0.00 1.01 0.00 0.00 36.73 38.19 1f68 h TYR 826 CO -0.32 -0.03 0.28 0.74 -1.05 0.00 0.00 178.16 177.78 1f68 h PHE 827 N 0.14 0.52 -0.63 4.88 0.04 -0.49 -0.62 116.94 120.78 1f68 h PHE 827 Ca 0.17 0.02 0.05 0.00 2.80 0.00 0.00 57.97 61.01 1f68 h PHE 827 Cb 0.23 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.18 1f68 h PHE 827 CO -0.22 0.27 0.41 0.87 -0.60 0.00 0.00 178.31 179.04 1f68 h LYS 828 N 0.55 0.65 -0.40 1.51 1.79 0.44 0.33 116.57 121.43 1f68 h LYS 828 Ca 0.22 -0.04 -0.05 0.00 -2.18 0.00 0.00 60.65 58.60 1f68 h LYS 828 Cb 0.09 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 1f68 h LYS 828 CO -0.13 0.43 0.06 -0.07 -1.08 0.00 0.00 179.45 178.67 1f68 h LEU 829 N 0.67 0.64 -0.42 2.94 3.38 0.50 0.21 115.31 123.23 1f68 h LEU 829 Ca 0.26 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1f68 h LEU 829 Cb 0.19 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 1f68 h LEU 829 CO -0.08 0.74 0.14 0.11 0.09 0.00 0.00 178.44 179.45 1f68 h LYS 830 N 0.52 0.30 -0.18 1.13 1.57 -0.06 -2.86 116.57 116.98 1f68 h LYS 830 Ca 0.12 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1f68 h LYS 830 Cb 0.37 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1f68 h LYS 830 CO 0.01 0.20 0.08 0.93 -0.57 0.00 0.00 179.45 180.09 1f68 h GLU 831 N 0.31 0.27 0.00 3.15 5.08 -0.78 -3.51 114.58 119.09 1f68 h GLU 831 Ca 0.20 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1f68 h GLU 831 Cb 0.19 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1f68 h GLU 831 CO -0.20 0.32 0.00 0.41 -1.00 0.00 0.00 179.01 178.54