#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 0.00 0.01 1.61 -0.08 -1.26 -4.53 116.55 112.30 1f68 n ASP 731 Ca 0.00 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.18 1f68 n ASP 731 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 1f68 n ASP 731 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1f68 h GLN 732 N 0.00 -0.05 0.17 -0.67 7.50 -2.03 0.14 115.11 120.16 1f68 h GLN 732 Ca 0.00 0.00 0.01 0.00 0.50 0.00 0.00 58.65 59.16 1f68 h GLN 732 Cb 0.00 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.52 1f68 h GLN 732 CO 0.00 -0.03 -0.22 1.25 -1.50 0.00 0.00 178.83 178.33 1f68 h LEU 733 N -0.05 -0.59 -0.48 1.46 5.85 -1.95 0.83 115.31 120.38 1f68 h LEU 733 Ca 0.06 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.94 1f68 h LEU 733 Cb 0.14 0.21 -0.10 0.00 0.37 0.00 0.00 40.66 41.28 1f68 h LEU 733 CO -0.13 -0.31 -0.16 0.22 -0.34 0.00 0.00 178.44 177.72 1f68 h TYR 734 N -0.44 -0.37 -0.42 1.25 3.20 -1.84 0.12 116.97 118.48 1f68 h TYR 734 Ca 0.01 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1f68 h TYR 734 Cb 0.43 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 1f68 h TYR 734 CO -0.18 -0.25 0.23 1.15 -1.64 0.00 0.00 178.16 177.47 1f68 h THR 735 N -0.05 1.15 0.10 1.81 2.02 -0.33 0.15 112.91 117.77 1f68 h THR 735 Ca 0.23 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 1f68 h THR 735 Cb 0.40 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1f68 h THR 735 CO -0.52 0.16 -0.07 0.74 0.37 0.00 0.00 175.52 176.20 1f68 h THR 736 N 0.54 0.85 -0.53 3.16 2.02 -0.15 0.51 112.91 119.31 1f68 h THR 736 Ca 0.15 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.40 1f68 h THR 736 Cb 0.05 0.85 -0.06 0.00 -1.74 0.00 0.00 68.15 67.25 1f68 h THR 736 CO -0.02 0.00 0.20 -0.07 0.37 0.00 0.00 175.52 175.99 1f68 h LEU 737 N -0.17 0.21 -0.26 2.58 3.38 -0.58 0.95 115.31 121.43 1f68 h LEU 737 Ca -0.01 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1f68 h LEU 737 Cb 0.15 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1f68 h LEU 737 CO 0.00 0.14 0.16 0.50 0.09 0.00 0.00 178.44 179.33 1f68 h LYS 738 N 0.38 0.32 -0.07 1.13 3.64 -0.28 0.17 116.57 121.86 1f68 h LYS 738 Ca 0.25 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1f68 h LYS 738 Cb 0.27 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1f68 h LYS 738 CO -0.25 0.21 0.04 -0.91 -2.27 0.00 0.00 179.45 176.27 1f68 h ASN 739 N 0.33 0.08 0.22 4.20 2.35 -0.44 0.14 115.58 122.46 1f68 h ASN 739 Ca 0.10 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.84 1f68 h ASN 739 Cb -0.02 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.29 1f68 h ASN 739 CO -0.03 0.08 -0.42 0.25 -1.65 0.00 0.00 177.43 175.65 1f68 h LEU 740 N 0.08 -1.20 -0.27 1.61 5.85 -0.56 -0.42 115.31 120.41 1f68 h LEU 740 Ca 0.03 0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.89 1f68 h LEU 740 Cb 0.01 0.44 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1f68 h LEU 740 CO -0.01 -0.52 0.12 0.25 -0.34 0.00 0.00 178.44 177.95 1f68 h LEU 741 N -0.72 0.16 -0.21 2.25 5.85 -0.58 0.02 115.31 122.09 1f68 h LEU 741 Ca 0.00 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.78 1f68 h LEU 741 Cb 0.70 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 1f68 h LEU 741 CO -0.18 0.13 -0.06 0.00 -0.34 0.00 0.00 178.44 177.99 1f68 h ALA 742 N 1.15 0.13 -0.15 1.25 0.00 -0.54 0.16 119.26 121.26 1f68 h ALA 742 Ca 0.11 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1f68 h ALA 742 Cb 0.05 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1f68 h ALA 742 CO -0.09 -0.48 -0.02 1.96 0.00 0.00 0.00 179.25 180.62 1f68 h GLN 743 N -0.01 0.02 -0.22 0.00 4.20 -0.72 0.12 115.11 118.51 1f68 h GLN 743 Ca 0.10 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.86 1f68 h GLN 743 Cb 0.16 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.88 1f68 h GLN 743 CO -0.22 0.01 -0.15 0.82 -0.67 0.00 0.00 178.83 178.63 1f68 h ILE 744 N 0.02 0.58 -0.92 2.54 2.04 -0.42 0.12 117.51 121.47 1f68 h ILE 744 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1f68 h ILE 744 Cb 0.10 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1f68 h ILE 744 CO -0.14 0.00 0.58 0.11 0.00 0.00 0.00 178.15 178.70 1f68 h LYS 745 N -0.14 1.23 -0.76 2.37 1.57 -0.40 -1.80 116.57 118.64 1f68 h LYS 745 Ca 0.12 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1f68 h LYS 745 Cb 0.33 -0.27 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 1f68 h LYS 745 CO -0.30 0.84 0.37 0.77 -0.57 0.00 0.00 179.45 180.56 1f68 h SER 746 N 1.26 0.97 -2.33 0.86 0.02 0.08 -3.43 113.55 110.98 1f68 h SER 746 Ca 0.33 -0.10 -0.53 0.00 -0.84 0.00 0.00 61.79 60.65 1f68 h SER 746 Cb -0.10 -0.25 0.02 0.00 0.14 0.00 0.00 62.40 62.21 1f68 h SER 746 CO -0.07 0.81 1.25 1.57 -1.14 0.00 0.00 176.83 179.26 1f68 n HIS 747 N -4.33 2.49 -0.33 3.45 -0.00 0.34 -4.86 115.22 111.98 1f68 n HIS 747 Ca 0.07 -0.37 0.18 0.00 -0.00 0.00 0.00 57.72 57.60 1f68 n HIS 747 Cb 0.13 -2.80 0.35 0.00 -0.00 0.00 0.00 29.99 27.67 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 10.82 0.03 -1.28 1.57 0.11 -1.84 0.00 132.00 141.42 1f68 h PRO 748 Ca -0.50 -0.00 0.41 0.00 0.11 0.00 0.00 66.00 66.03 1f68 h PRO 748 Cb 1.24 -0.01 -0.10 0.00 0.11 0.00 0.00 31.00 32.25 1f68 h PRO 748 CO 0.94 0.02 0.86 0.43 -0.21 0.00 0.00 178.00 180.04 1f68 n SER 749 N -5.41 0.12 0.27 -2.05 7.64 -1.26 -0.81 113.62 112.11 1f68 n SER 749 Ca 0.26 1.03 0.11 0.00 1.01 0.00 0.00 58.87 61.27 1f68 n SER 749 Cb 0.86 -0.51 0.73 0.00 -1.01 0.00 0.00 64.21 64.28 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 1.14 1.73 -0.95 -0.43 0.00 -1.19 -3.38 119.26 116.19 1f68 h ALA 750 Ca 0.73 -0.03 0.19 0.00 0.00 0.00 0.00 54.91 55.80 1f68 h ALA 750 Cb 2.55 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 20.16 1f68 h ALA 750 CO -0.26 0.05 -0.23 -2.67 0.00 0.00 0.00 179.25 176.14 1f68 n TRP 751 N -4.19 0.35 0.23 0.00 4.27 0.01 -0.40 117.44 117.72 1f68 n TRP 751 Ca -0.03 1.16 0.11 0.00 -3.89 0.00 0.00 57.50 54.85 1f68 n TRP 751 Cb 0.12 -1.06 0.51 0.00 -1.36 0.00 0.00 31.31 29.53 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 -0.53 -2.67 0.11 -1.86 -3.25 132.00 123.81 1f68 h PRO 752 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1f68 h PRO 752 Cb 0.71 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.82 1f68 h PRO 752 CO -0.97 0.19 0.00 1.19 -0.21 0.00 0.00 178.00 178.20 1f68 n PHE 753 N -3.39 0.83 0.04 0.65 3.72 0.46 -4.65 117.46 115.13 1f68 n PHE 753 Ca -0.00 -0.54 -0.02 0.00 -0.05 0.00 0.00 57.45 56.84 1f68 n PHE 753 Cb 0.40 -0.07 -0.01 0.00 -0.94 0.00 0.00 39.48 38.86 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 3.15 -0.10 -7.09 -1.08 2.86 -1.55 0.12 114.93 111.23 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 0.98 0.02 0.04 0.00 0.06 0.00 0.00 31.60 32.69 1f68 h MET 754 CO 0.05 -0.07 0.24 -1.21 1.06 0.00 0.00 176.91 176.99 1f68 s GLU 755 N -2.86 3.65 0.75 1.72 2.02 -1.26 -0.44 118.70 122.27 1f68 s GLU 755 Ca -0.02 0.51 -0.11 0.00 0.02 0.00 0.00 54.97 55.38 1f68 s GLU 755 Cb 0.00 -2.25 0.04 0.00 0.10 0.00 0.00 34.13 32.02 1f68 s GLU 755 CO 0.05 -0.31 1.08 -1.25 0.02 0.00 0.00 175.26 174.85 1f68 s PRO 756 N -4.66 2.47 -0.13 0.39 0.04 -1.26 -4.83 135.00 127.02 1f68 s PRO 756 Ca 0.52 1.11 -0.29 0.00 0.04 0.00 0.00 61.00 62.38 1f68 s PRO 756 Cb -0.10 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 1f68 s PRO 756 CO 0.44 -1.48 1.80 0.08 0.04 0.00 0.00 177.00 177.88 1f68 s VAL 757 N -2.93 3.41 0.45 -0.36 1.01 -1.26 -4.95 120.40 115.77 1f68 s VAL 757 Ca 0.60 0.48 -0.20 0.00 0.00 0.00 0.00 61.98 62.86 1f68 s VAL 757 Cb -0.16 -3.39 -0.10 0.00 0.00 0.00 0.00 36.38 32.72 1f68 s VAL 757 CO 0.55 -0.13 0.96 -0.54 0.00 0.00 0.00 175.10 175.94 1f68 s LYS 758 N 4.76 4.16 0.37 2.72 1.02 -1.26 -4.86 119.74 126.65 1f68 s LYS 758 Ca 0.80 1.10 0.09 0.00 0.02 0.00 0.00 55.97 57.98 1f68 s LYS 758 Cb -0.32 -2.17 0.81 0.00 -0.52 0.00 0.00 37.83 35.64 1f68 s LYS 758 CO 0.33 -0.09 1.91 0.87 -0.92 0.00 0.00 175.35 177.45 1f68 h LYS 759 N 1.73 0.67 -0.42 1.68 1.57 -1.92 0.16 116.57 120.03 1f68 h LYS 759 Ca -0.49 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.30 1f68 h LYS 759 Cb 1.18 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 1f68 h LYS 759 CO 0.61 0.44 0.28 0.66 -0.57 0.00 0.00 179.45 180.87 1f68 h SER 760 N 0.69 0.34 0.00 0.86 4.64 -1.99 -2.55 113.55 115.54 1f68 h SER 760 Ca 0.39 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.68 1f68 h SER 760 Cb 0.57 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1f68 h SER 760 CO -0.16 0.23 -0.14 -0.33 -0.87 0.00 0.00 176.83 175.56 1f68 h GLU 761 N 0.39 0.00 -1.34 4.77 5.08 -1.15 -3.46 114.58 118.87 1f68 h GLU 761 Ca 0.18 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.35 1f68 h GLU 761 Cb 0.22 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.24 1f68 h GLU 761 CO -0.04 0.93 -0.55 0.00 -1.00 0.00 0.00 179.01 178.35 1f68 s ALA 762 N -2.26 -1.60 0.21 3.43 0.00 -0.09 -5.02 121.76 116.44 1f68 s ALA 762 Ca -0.19 -0.35 -0.10 0.00 0.00 0.00 0.00 51.96 51.32 1f68 s ALA 762 Cb -0.02 -2.48 0.30 0.00 0.00 0.00 0.00 23.12 20.92 1f68 s ALA 762 CO 0.64 -2.19 1.69 -1.35 0.00 0.00 0.00 175.76 174.54 1f68 h PRO 763 N 6.67 0.19 -1.38 0.00 0.11 -1.67 -0.24 132.00 135.68 1f68 h PRO 763 Ca 0.06 -0.01 0.41 0.00 0.11 0.00 0.00 66.00 66.57 1f68 h PRO 763 Cb 1.12 -0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.10 1f68 h PRO 763 CO 0.13 0.13 0.95 0.38 -0.21 0.00 0.00 178.00 179.38 1f68 h ASP 764 N 0.20 0.14 -0.80 -2.05 2.03 -1.95 0.05 116.42 114.03 1f68 h ASP 764 Ca 0.32 0.05 0.17 0.00 -0.73 0.00 0.00 57.03 56.84 1f68 h ASP 764 Cb 0.50 0.04 -0.11 0.00 -0.83 0.00 0.00 39.33 38.92 1f68 h ASP 764 CO -0.45 -0.03 0.30 0.22 -1.03 0.00 0.00 179.24 178.24 1f68 h TYR 765 N 0.09 0.49 0.00 4.15 3.20 -1.42 0.41 116.97 123.89 1f68 h TYR 765 Ca 0.72 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 62.59 1f68 h TYR 765 Cb 2.56 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 40.73 1f68 h TYR 765 CO -0.00 -0.01 -0.21 1.88 -1.64 0.00 0.00 178.16 178.18 1f68 h TYR 766 N 0.39 0.00 0.13 -3.82 -1.99 -1.15 0.32 116.97 110.85 1f68 h TYR 766 Ca 0.46 0.00 -0.28 0.00 2.00 0.00 0.00 58.73 60.91 1f68 h TYR 766 Cb 0.78 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.52 1f68 h TYR 766 CO -0.18 0.21 -1.25 0.93 -0.00 0.00 0.00 178.16 177.87 1f68 h GLU 767 N 0.00 0.38 0.00 4.88 4.39 -1.05 -3.29 114.58 119.89 1f68 h GLU 767 Ca -0.00 -0.59 -0.00 0.00 0.34 0.00 0.00 59.36 59.10 1f68 h GLU 767 Cb 1.11 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1f68 h GLU 767 CO 0.03 1.27 -0.00 0.28 -1.16 0.00 0.00 179.01 179.42 1f68 h VAL 768 N 0.13 0.00 -0.62 3.13 2.07 -0.99 -3.40 116.25 116.57 1f68 h VAL 768 Ca -0.16 -0.53 -0.67 0.00 0.82 0.00 0.00 66.70 66.17 1f68 h VAL 768 Cb 1.95 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.65 1f68 h VAL 768 CO 0.22 0.00 2.39 -0.38 0.02 0.00 0.00 177.57 179.81 1f68 n ILE 769 N -3.47 3.69 -0.33 4.57 2.08 0.11 -4.78 119.36 121.24 1f68 n ILE 769 Ca -0.00 -3.70 0.24 0.00 0.56 0.00 0.00 62.75 59.86 1f68 n ILE 769 Cb 0.00 -2.40 0.53 0.00 -0.75 0.00 0.00 39.64 37.02 1f68 n ILE 769 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 1f68 h ARG 770 N 7.29 0.34 -3.02 0.38 2.47 -1.79 -3.23 114.38 116.82 1f68 h ARG 770 Ca 0.47 -0.02 -0.68 0.00 -1.26 0.00 0.00 59.98 58.49 1f68 h ARG 770 Cb 0.81 -0.08 -0.37 0.00 -1.65 0.00 0.00 29.97 28.69 1f68 h ARG 770 CO 1.56 0.22 -0.17 1.19 0.56 0.00 0.00 179.97 183.33 1f68 n PHE 771 N -4.60 3.75 -1.83 3.04 3.72 -1.26 -5.04 117.46 115.24 1f68 n PHE 771 Ca 0.26 -4.01 -0.34 0.00 -0.05 0.00 0.00 57.45 53.32 1f68 n PHE 771 Cb 0.93 -0.95 0.04 0.00 -0.94 0.00 0.00 39.48 38.56 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 -1.77 2.84 -0.03 -1.08 0.04 -1.22 -5.01 135.00 128.78 1f68 s PRO 772 Ca 0.30 1.49 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 1f68 s PRO 772 Cb -0.01 -1.95 0.10 0.00 0.04 0.00 0.00 34.50 32.68 1f68 s PRO 772 CO -0.09 -1.23 0.86 -1.50 0.04 0.00 0.00 177.00 175.08 1f68 s ILE 773 N -2.17 0.00 -0.01 0.56 1.10 -1.26 -5.10 121.20 114.32 1f68 s ILE 773 Ca 0.69 0.00 -0.29 0.00 -0.51 0.00 0.00 60.65 60.54 1f68 s ILE 773 Cb -0.22 -1.00 0.10 0.00 0.15 0.00 0.00 42.46 41.49 1f68 s ILE 773 CO 0.39 0.00 1.00 1.51 -2.11 0.00 0.00 174.94 175.72 1f68 s ASP 774 N -2.02 -0.26 0.24 4.50 1.47 -1.26 -4.78 116.67 114.56 1f68 s ASP 774 Ca 0.01 -0.09 -0.01 0.00 1.18 0.00 0.00 52.55 53.64 1f68 s ASP 774 Cb -0.01 0.34 0.28 0.00 -0.34 0.00 0.00 42.92 43.19 1f68 s ASP 774 CO -0.05 -0.57 1.65 -0.07 0.68 0.00 0.00 175.17 176.81 1f68 h LEU 775 N 2.00 0.61 0.23 2.11 3.38 -0.69 0.15 115.31 123.10 1f68 h LEU 775 Ca -0.21 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1f68 h LEU 775 Cb 1.22 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1f68 h LEU 775 CO 0.28 0.87 -0.26 0.50 0.09 0.00 0.00 178.44 179.93 1f68 h LYS 776 N 0.52 -0.51 -0.86 1.13 3.64 -0.95 0.17 116.57 119.71 1f68 h LYS 776 Ca 0.07 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.55 1f68 h LYS 776 Cb 0.76 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.63 1f68 h LYS 776 CO 0.06 -0.34 0.52 1.15 -2.27 0.00 0.00 179.45 178.57 1f68 h THR 777 N -0.53 1.01 -0.95 1.00 2.02 -1.69 0.40 112.91 114.16 1f68 h THR 777 Ca -0.00 -0.32 0.04 0.00 0.77 0.00 0.00 66.41 66.90 1f68 h THR 777 Cb 0.50 -0.01 -0.06 0.00 -1.74 0.00 0.00 68.15 66.85 1f68 h THR 777 CO -0.07 0.17 0.62 0.24 0.37 0.00 0.00 175.52 176.85 1f68 h MET 778 N 0.93 1.16 -0.71 6.66 2.86 -0.26 0.13 114.93 125.72 1f68 h MET 778 Ca 0.39 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.94 1f68 h MET 778 Cb 0.23 -0.26 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 1f68 h MET 778 CO -0.19 0.77 0.39 1.15 1.06 0.00 0.00 176.91 180.09 1f68 h THR 779 N 1.20 1.22 0.08 2.22 2.02 0.11 0.15 112.91 119.92 1f68 h THR 779 Ca 0.38 -0.54 0.01 0.00 0.77 0.00 0.00 66.41 67.03 1f68 h THR 779 Cb 0.01 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 1f68 h THR 779 CO -0.12 0.24 -0.10 -0.33 0.37 0.00 0.00 175.52 175.58 1f68 h GLU 780 N 0.97 -0.20 -0.49 6.66 5.08 -0.21 -0.58 114.58 125.80 1f68 h GLU 780 Ca 0.25 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.70 1f68 h GLU 780 Cb 0.03 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 1f68 h GLU 780 CO -0.04 -0.13 0.14 0.00 -1.00 0.00 0.00 179.01 177.97 1f68 h ARG 781 N -0.21 0.29 0.28 2.33 3.08 -0.40 0.14 114.38 119.89 1f68 h ARG 781 Ca 0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1f68 h ARG 781 Cb 0.21 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 1f68 h ARG 781 CO -0.04 0.19 -0.32 1.25 -1.07 0.00 0.00 179.97 179.98 1f68 h LEU 782 N 0.29 -0.88 -1.33 3.04 5.85 -0.54 0.52 115.31 122.25 1f68 h LEU 782 Ca 0.24 0.08 0.11 0.00 0.84 0.00 0.00 57.88 59.15 1f68 h LEU 782 Cb 0.29 0.31 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 1f68 h LEU 782 CO -0.28 -0.45 0.53 0.03 -0.34 0.00 0.00 178.44 177.94 1f68 h ARG 783 N -0.65 0.70 0.00 1.25 3.08 -0.60 0.70 114.38 118.87 1f68 h ARG 783 Ca -0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1f68 h ARG 783 Cb 0.61 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1f68 h ARG 783 CO -0.09 0.47 0.00 0.43 -1.07 0.00 0.00 179.97 179.71 1f68 n SER 784 N -4.52 0.00 -3.91 7.04 7.64 0.44 -4.90 113.62 115.42 1f68 n SER 784 Ca 0.14 -1.28 -0.31 0.00 1.01 0.00 0.00 58.87 58.44 1f68 n SER 784 Cb 0.36 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.57 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 -0.85 -4.53 -0.25 1.43 5.12 0.24 -4.88 116.66 112.95 1f68 n ARG 785 Ca 0.16 0.52 -0.07 0.00 -1.93 0.00 0.00 57.85 56.54 1f68 n ARG 785 Cb 0.08 -5.35 0.05 0.00 -1.16 0.00 0.00 32.46 26.08 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 -1.74 1.05 0.00 -1.55 3.20 -1.14 -3.31 116.97 113.48 1f68 h TYR 786 Ca -0.56 -0.08 -0.58 0.00 3.14 0.00 0.00 58.73 60.65 1f68 h TYR 786 Cb 1.37 -0.32 0.02 0.00 1.54 0.00 0.00 36.73 39.34 1f68 h TYR 786 CO 0.60 0.82 2.84 0.66 -1.64 0.00 0.00 178.16 181.44 1f68 n TYR 787 N -4.38 2.14 0.25 -3.82 4.01 -1.26 -4.61 117.16 109.50 1f68 n TYR 787 Ca 0.05 -2.31 0.09 0.00 -0.16 0.00 0.00 57.90 55.57 1f68 n TYR 787 Cb 0.18 -2.00 0.64 0.00 -0.31 0.00 0.00 39.34 37.85 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 3.80 0.88 -4.04 -0.72 -1.51 -1.97 -3.41 116.25 109.27 1f68 h VAL 788 Ca 0.55 -0.42 -0.41 0.00 -1.23 0.00 0.00 66.70 65.20 1f68 h VAL 788 Cb 0.43 1.24 -0.26 0.00 -2.13 0.00 0.00 31.29 30.57 1f68 h VAL 788 CO 1.75 0.11 -0.78 0.42 -1.23 0.00 0.00 177.57 177.84 1f68 s THR 789 N -4.59 0.90 0.47 7.19 -4.23 -1.26 -5.04 115.64 109.07 1f68 s THR 789 Ca -0.04 -0.74 0.16 0.00 -1.18 0.00 0.00 61.69 59.89 1f68 s THR 789 Cb 0.15 -0.80 0.32 0.00 1.34 0.00 0.00 72.50 73.51 1f68 s THR 789 CO 0.64 0.07 2.03 -0.09 -0.54 0.00 0.00 174.62 176.73 1f68 h ARG 790 N 5.34 0.25 -0.92 3.99 2.43 -1.99 -2.12 114.38 121.35 1f68 h ARG 790 Ca -0.35 -0.01 0.26 0.00 -0.81 0.00 0.00 59.98 59.07 1f68 h ARG 790 Cb 1.18 -0.06 -0.14 0.00 -0.42 0.00 0.00 29.97 30.53 1f68 h ARG 790 CO 0.46 0.16 0.36 -0.22 -1.51 0.00 0.00 179.97 179.22 1f68 h LYS 791 N 0.25 0.25 -0.63 0.20 1.63 -1.96 0.35 116.57 116.67 1f68 h LYS 791 Ca 0.19 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.94 1f68 h LYS 791 Cb 0.43 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.97 1f68 h LYS 791 CO -0.04 0.17 0.24 -0.07 -3.45 0.00 0.00 179.45 176.30 1f68 h LEU 792 N 0.26 0.84 -0.10 5.20 3.38 -1.78 0.11 115.31 123.22 1f68 h LEU 792 Ca 0.61 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.45 1f68 h LEU 792 Cb 1.30 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1f68 h LEU 792 CO -0.63 0.76 -0.00 0.15 0.09 0.00 0.00 178.44 178.80 1f68 h PHE 793 N 0.90 0.19 -0.69 1.13 3.04 -0.54 -0.06 116.94 120.91 1f68 h PHE 793 Ca 0.21 -0.03 0.11 0.00 3.98 0.00 0.00 57.97 62.23 1f68 h PHE 793 Cb 0.19 -0.05 -0.08 0.00 2.56 0.00 0.00 35.95 38.57 1f68 h PHE 793 CO 0.01 0.43 0.31 0.28 -2.02 0.00 0.00 178.31 177.32 1f68 h VAL 794 N -0.11 0.78 0.94 1.41 2.07 -0.44 0.12 116.25 121.03 1f68 h VAL 794 Ca 0.03 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 1f68 h VAL 794 Cb 0.36 0.22 0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1f68 h VAL 794 CO 0.01 0.09 -0.45 0.00 0.02 0.00 0.00 177.57 177.24 1f68 h ALA 795 N 1.45 -1.26 -0.37 1.67 0.00 -0.74 -2.81 119.26 117.20 1f68 h ALA 795 Ca 0.35 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1f68 h ALA 795 Cb 0.43 0.49 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 1f68 h ALA 795 CO -0.31 -1.17 -0.14 -0.44 0.00 0.00 0.00 179.25 177.18 1f68 h ASP 796 N -1.33 -0.49 0.07 0.00 5.19 -0.37 0.26 116.42 119.73 1f68 h ASP 796 Ca -0.13 0.13 0.02 0.00 -0.62 0.00 0.00 57.03 56.43 1f68 h ASP 796 Cb 0.97 0.29 -0.03 0.00 0.18 0.00 0.00 39.33 40.74 1f68 h ASP 796 CO 0.21 -0.18 -0.17 0.25 -3.12 0.00 0.00 179.24 176.24 1f68 h LEU 797 N -0.07 -0.47 -1.58 1.55 7.12 -0.87 0.68 115.31 121.68 1f68 h LEU 797 Ca 0.19 0.06 -0.03 0.00 0.13 0.00 0.00 57.88 58.22 1f68 h LEU 797 Cb 0.35 0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.65 1f68 h LEU 797 CO -0.42 -0.24 -0.08 1.56 -0.13 0.00 0.00 178.44 179.13 1f68 h GLN 798 N -0.31 0.17 -0.62 1.25 4.20 -1.16 -1.92 115.11 116.71 1f68 h GLN 798 Ca 0.03 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1f68 h GLN 798 Cb 0.34 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 1f68 h GLN 798 CO -0.11 0.26 0.19 -0.09 -0.67 0.00 0.00 178.83 178.41 1f68 h ARG 799 N 0.16 0.97 -0.09 1.46 2.43 0.79 0.21 114.38 120.32 1f68 h ARG 799 Ca 0.04 -0.21 0.04 0.00 -0.81 0.00 0.00 59.98 59.03 1f68 h ARG 799 Cb 0.25 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.61 1f68 h ARG 799 CO 0.01 0.86 -0.22 0.28 -1.51 0.00 0.00 179.97 179.40 1f68 h VAL 800 N 0.90 0.47 -0.23 0.20 2.07 -0.15 0.19 116.25 119.69 1f68 h VAL 800 Ca 0.20 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.72 1f68 h VAL 800 Cb 0.30 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1f68 h VAL 800 CO -0.01 0.00 0.15 0.40 0.02 0.00 0.00 177.57 178.13 1f68 h ILE 801 N -0.30 1.08 -0.06 4.57 2.04 -1.11 0.19 117.51 123.92 1f68 h ILE 801 Ca 0.09 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.79 1f68 h ILE 801 Cb 0.43 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1f68 h ILE 801 CO -0.26 0.08 -0.07 0.00 0.00 0.00 0.00 178.15 177.89 1f68 h ALA 802 N 1.06 -0.02 -0.47 1.87 0.00 -0.42 -0.61 119.26 120.68 1f68 h ALA 802 Ca 0.08 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1f68 h ALA 802 Cb -0.00 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1f68 h ALA 802 CO -0.02 -0.54 0.13 -0.91 0.00 0.00 0.00 179.25 177.91 1f68 h ASN 803 N -0.09 0.08 -0.18 0.00 4.21 -0.30 0.29 115.58 119.59 1f68 h ASN 803 Ca 0.05 0.07 0.05 0.00 1.21 0.00 0.00 56.30 57.68 1f68 h ASN 803 Cb 0.16 0.08 -0.05 0.00 -1.12 0.00 0.00 38.32 37.39 1f68 h ASN 803 CO -0.12 0.08 -0.15 0.00 -1.29 0.00 0.00 177.43 175.95 1f68 h ARG 805 N -0.16 0.71 -0.10 0.00 3.08 -0.01 0.27 114.38 118.16 1f68 h ARG 805 Ca 0.11 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1f68 h ARG 805 Cb 0.33 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1f68 h ARG 805 CO -0.28 0.60 0.02 0.93 -1.07 0.00 0.00 179.97 180.17 1f68 h GLU 806 N 0.70 0.16 0.10 0.04 4.39 -0.08 -3.33 114.58 116.55 1f68 h GLU 806 Ca 0.17 -0.04 -0.27 0.00 0.34 0.00 0.00 59.36 59.56 1f68 h GLU 806 Cb 0.17 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1f68 h GLU 806 CO -0.01 0.36 -1.17 -0.92 -1.16 0.00 0.00 179.01 176.11 1f68 h TYR 807 N -0.07 0.60 -4.25 4.33 3.20 -0.61 -3.46 116.97 116.70 1f68 h TYR 807 Ca 0.03 -0.40 -0.69 0.00 3.14 0.00 0.00 58.73 60.81 1f68 h TYR 807 Cb 0.28 -0.04 -0.26 0.00 1.54 0.00 0.00 36.73 38.25 1f68 h TYR 807 CO 0.01 1.27 -0.85 -0.80 -1.64 0.00 0.00 178.16 176.16 1f68 s ASN 808 N -7.18 3.44 0.49 -2.11 0.01 0.90 -5.09 114.94 105.40 1f68 s ASN 808 Ca -0.05 -0.45 -0.23 0.00 -0.71 0.00 0.00 52.86 51.42 1f68 s ASN 808 Cb 0.07 -0.48 -0.07 0.00 0.41 0.00 0.00 41.25 41.19 1f68 s ASN 808 CO 0.89 0.29 1.24 -2.16 -1.51 0.00 0.00 177.10 175.84 1f68 s PRO 809 N -1.04 3.55 0.37 -0.60 0.04 -1.26 -4.38 135.00 131.68 1f68 s PRO 809 Ca 0.12 1.95 0.20 0.00 0.04 0.00 0.00 61.00 63.30 1f68 s PRO 809 Cb -0.10 -2.37 1.21 0.00 0.04 0.00 0.00 34.50 33.28 1f68 s PRO 809 CO 0.02 -0.77 1.65 -1.35 0.04 0.00 0.00 177.00 176.58 1f68 h PRO 810 N 1.86 0.21 0.00 0.56 0.11 -1.94 0.42 132.00 133.22 1f68 h PRO 810 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1f68 h PRO 810 Cb 1.27 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1f68 h PRO 810 CO 0.59 0.14 0.00 -3.47 -0.21 0.00 0.00 178.00 175.05 1f68 n ASP 811 N -4.97 0.00 -4.77 -2.05 2.03 -1.26 -3.90 116.55 101.63 1f68 n ASP 811 Ca 0.34 -0.36 -0.33 0.00 0.52 0.00 0.00 54.79 54.96 1f68 n ASP 811 Cb 1.13 -0.19 0.05 0.00 -0.72 0.00 0.00 41.12 41.39 1f68 n ASP 811 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1f68 s SER 812 N -2.38 5.02 0.25 1.67 1.04 0.14 -4.83 113.70 114.61 1f68 s SER 812 Ca 0.31 2.02 -0.03 0.00 0.48 0.00 0.00 55.95 58.74 1f68 s SER 812 Cb 0.19 -2.55 0.50 0.00 0.10 0.00 0.00 66.02 64.25 1f68 s SER 812 CO 0.38 -1.69 1.73 -0.33 0.98 0.00 0.00 173.24 174.32 1f68 h GLU 813 N -0.02 0.46 0.24 4.02 4.39 -1.90 0.09 114.58 121.86 1f68 h GLU 813 Ca -0.47 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.21 1f68 h GLU 813 Cb 1.25 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.77 1f68 h GLU 813 CO 0.54 0.30 -0.31 1.88 -1.16 0.00 0.00 179.01 180.26 1f68 h TYR 814 N 0.47 -0.83 -0.58 4.33 0.05 -1.92 0.18 116.97 118.67 1f68 h TYR 814 Ca 0.44 0.01 -0.10 0.00 0.05 0.00 0.00 58.73 59.13 1f68 h TYR 814 Cb 0.67 0.33 -0.02 0.00 1.01 0.00 0.00 36.73 38.72 1f68 h TYR 814 CO -0.15 -0.43 -0.02 0.00 -1.05 0.00 0.00 178.16 176.50 1f68 h ARG 816 N 0.94 0.84 -0.31 0.00 3.08 -0.92 0.25 114.38 118.26 1f68 h ARG 816 Ca 0.16 -0.16 0.02 0.00 0.07 0.00 0.00 59.98 60.08 1f68 h ARG 816 Cb 0.57 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 1f68 h ARG 816 CO 0.03 0.73 0.14 0.00 -1.07 0.00 0.00 179.97 179.80 1f68 h ALA 818 N 1.17 1.58 0.18 0.00 0.00 -0.22 0.19 119.26 122.17 1f68 h ALA 818 Ca 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1f68 h ALA 818 Cb 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1f68 h ALA 818 CO -0.10 0.33 -0.09 0.77 0.00 0.00 0.00 179.25 180.16 1f68 h SER 819 N 0.89 -0.21 -0.81 0.00 0.02 0.36 0.19 113.55 114.00 1f68 h SER 819 Ca 0.30 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.32 1f68 h SER 819 Cb 0.09 0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.63 1f68 h SER 819 CO -0.09 -0.15 0.49 0.00 -1.14 0.00 0.00 176.83 175.94 1f68 h ALA 820 N 0.58 1.10 -0.24 3.77 0.00 -0.26 0.01 119.26 124.23 1f68 h ALA 820 Ca -0.02 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1f68 h ALA 820 Cb 0.19 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1f68 h ALA 820 CO 0.04 0.23 0.03 1.25 0.00 0.00 0.00 179.25 180.80 1f68 h LEU 821 N 0.91 -0.03 0.14 0.00 5.85 -0.34 0.36 115.31 122.19 1f68 h LEU 821 Ca 0.35 0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.13 1f68 h LEU 821 Cb 0.15 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1f68 h LEU 821 CO -0.17 0.01 -0.27 -0.08 -0.34 0.00 0.00 178.44 177.60 1f68 h GLU 822 N 0.11 -0.47 -0.06 1.25 4.57 0.30 0.17 114.58 120.46 1f68 h GLU 822 Ca 0.11 0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.34 1f68 h GLU 822 Cb 0.12 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 1f68 h GLU 822 CO -0.16 -0.31 -0.04 0.87 -1.18 0.00 0.00 179.01 178.18 1f68 h LYS 823 N -0.49 -0.05 -0.12 1.92 1.79 -0.81 0.13 116.57 118.95 1f68 h LYS 823 Ca 0.03 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.50 1f68 h LYS 823 Cb 0.51 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 1f68 h LYS 823 CO -0.14 -0.03 0.06 0.35 -1.08 0.00 0.00 179.45 178.60 1f68 h PHE 824 N -0.05 0.11 -0.11 -1.35 3.57 -0.76 0.30 116.94 118.65 1f68 h PHE 824 Ca 0.04 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1f68 h PHE 824 Cb 0.11 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.77 1f68 h PHE 824 CO -0.14 0.07 -0.17 0.35 -2.23 0.00 0.00 178.31 176.18 1f68 h PHE 825 N 0.13 -0.45 -0.20 0.41 3.57 -0.45 0.12 116.94 120.07 1f68 h PHE 825 Ca 0.05 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.61 1f68 h PHE 825 Cb 0.01 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 1f68 h PHE 825 CO -0.09 -0.25 -0.06 1.88 -2.23 0.00 0.00 178.31 177.57 1f68 h TYR 826 N -0.23 -0.13 -0.61 0.41 0.05 -0.44 -0.36 116.97 115.66 1f68 h TYR 826 Ca 0.09 0.02 0.12 0.00 0.05 0.00 0.00 58.73 59.01 1f68 h TYR 826 Cb 0.36 0.09 -0.09 0.00 1.01 0.00 0.00 36.73 38.10 1f68 h TYR 826 CO -0.28 -0.10 0.10 0.35 -1.05 0.00 0.00 178.16 177.18 1f68 h PHE 827 N -0.02 0.15 0.00 4.88 3.57 -0.58 -0.69 116.94 124.25 1f68 h PHE 827 Ca 0.10 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1f68 h PHE 827 Cb 0.17 0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1f68 h PHE 827 CO -0.23 -0.07 0.00 1.63 -2.23 0.00 0.00 178.31 177.41 1f68 n LYS 828 N -5.17 0.63 0.20 1.11 4.76 0.40 -3.37 118.16 116.73 1f68 n LYS 828 Ca 0.09 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.66 1f68 n LYS 828 Cb 0.34 -1.48 0.69 0.00 -1.84 0.00 0.00 35.03 32.74 1f68 n LYS 828 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1f68 h LEU 829 N 0.00 0.00 -1.95 -0.35 3.38 0.16 0.20 115.31 116.75 1f68 h LEU 829 Ca 0.00 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.14 1f68 h LEU 829 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1f68 h LEU 829 CO 0.00 0.00 0.53 0.11 0.09 0.00 0.00 178.44 179.17 1f68 h LYS 830 N 0.00 0.00 -4.49 1.13 1.57 -1.78 -3.28 116.57 109.72 1f68 h LYS 830 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 1f68 h LYS 830 Cb 0.08 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.46 1f68 h LYS 830 CO 0.00 0.00 2.12 0.39 -0.57 0.00 0.00 179.45 181.39 1f68 n GLU 831 N -3.92 1.23 0.00 3.15 -0.58 0.06 -5.23 120.64 115.34 1f68 n GLU 831 Ca 0.11 -1.63 0.07 0.00 -0.42 0.00 0.00 57.16 55.29 1f68 n GLU 831 Cb 0.76 -2.79 0.39 0.00 -0.57 0.00 0.00 31.44 29.23 1f68 n GLU 831 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06