#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d3m h LEU 731 N 0.00 0.28 0.33 -1.96 7.12 -2.00 -1.96 115.31 117.12 3d3m h LEU 731 Ca 0.00 -0.08 -0.01 0.00 0.13 0.00 0.00 57.88 57.93 3d3m h LEU 731 Cb 0.00 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.04 3d3m h LEU 731 CO 0.00 0.51 -0.25 0.50 -0.13 0.00 0.00 178.44 179.07 3d3m h LYS 732 N 0.27 -0.56 -0.28 1.25 3.64 -2.06 -2.89 116.57 115.94 3d3m h LYS 732 Ca 0.05 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3d3m h LYS 732 Cb 0.52 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 3d3m h LYS 732 CO 0.04 -0.37 0.09 1.25 -2.27 0.00 0.00 179.45 178.18 3d3m h LEU 733 N -0.58 0.36 -0.70 5.20 6.46 -1.95 -2.80 115.31 121.30 3d3m h LEU 733 Ca -0.03 -0.04 -0.07 0.00 -0.12 0.00 0.00 57.88 57.63 3d3m h LEU 733 Cb 0.50 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.31 3d3m h LEU 733 CO -0.00 0.36 0.17 -0.08 -0.62 0.00 0.00 178.44 178.26 3d3m h GLU 734 N 0.40 1.12 -0.39 1.25 4.81 -1.15 0.12 114.58 120.73 3d3m h GLU 734 Ca 0.10 -0.27 -0.15 0.00 -0.13 0.00 0.00 59.36 58.91 3d3m h GLU 734 Cb 0.13 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3d3m h GLU 734 CO -0.01 0.99 -0.36 0.87 -0.73 0.00 0.00 179.01 179.77 3d3m h LYS 735 N 1.05 0.93 -0.30 1.92 1.57 -1.45 -2.48 116.57 117.82 3d3m h LYS 735 Ca 0.22 -0.47 -0.16 0.00 -1.87 0.00 0.00 60.65 58.36 3d3m h LYS 735 Cb 0.37 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 3d3m h LYS 735 CO 0.00 1.13 -0.47 0.93 -0.57 0.00 0.00 179.45 180.48 3d3m h GLU 736 N 0.76 0.79 -0.42 3.15 5.08 -1.28 -0.13 114.58 122.53 3d3m h GLU 736 Ca 0.07 -0.45 -0.00 0.00 -1.00 0.00 0.00 59.36 57.97 3d3m h GLU 736 Cb 0.95 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 3d3m h GLU 736 CO 0.09 1.08 0.24 1.25 -1.00 0.00 0.00 179.01 180.67 3d3m h LEU 737 N 0.63 0.51 0.25 1.33 5.85 -0.81 -0.92 115.31 122.14 3d3m h LEU 737 Ca 0.03 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3d3m h LEU 737 Cb 1.04 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.94 3d3m h LEU 737 CO 0.10 0.43 -0.12 0.25 -0.34 0.00 0.00 178.44 178.76 3d3m h LEU 738 N 0.55 -0.28 -0.67 2.25 5.85 -1.22 0.15 115.31 121.92 3d3m h LEU 738 Ca 0.15 -0.05 0.12 0.00 0.84 0.00 0.00 57.88 58.94 3d3m h LEU 738 Cb 0.02 0.07 -0.13 0.00 0.37 0.00 0.00 40.66 41.00 3d3m h LEU 738 CO -0.03 -0.13 -0.32 0.50 -0.34 0.00 0.00 178.44 178.12 3d3m h LYS 739 N -0.41 -0.11 -0.30 1.25 3.64 -0.97 0.24 116.57 119.92 3d3m h LYS 739 Ca -0.03 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.41 3d3m h LYS 739 Cb 0.31 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.10 3d3m h LYS 739 CO 0.06 -0.07 -0.02 1.96 -2.27 0.00 0.00 179.45 179.10 3d3m h GLN 740 N -0.11 0.06 -0.48 1.90 1.08 -0.96 -1.28 115.11 115.31 3d3m h GLN 740 Ca 0.27 -0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.39 3d3m h GLN 740 Cb 0.56 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.95 3d3m h GLN 740 CO -0.74 0.04 -0.02 0.82 -0.95 0.00 0.00 178.83 177.98 3d3m h ILE 741 N 0.06 1.25 -0.04 2.54 2.04 0.25 0.42 117.51 124.03 3d3m h ILE 741 Ca 0.14 -1.04 -0.12 0.00 1.00 0.00 0.00 64.86 64.85 3d3m h ILE 741 Cb 0.20 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3d3m h ILE 741 CO -0.26 0.36 -0.54 0.11 0.00 0.00 0.00 178.15 177.83 3d3m h LYS 742 N 0.75 0.10 -0.30 2.37 1.57 -0.28 -2.41 116.57 118.37 3d3m h LYS 742 Ca 0.14 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3d3m h LYS 742 Cb 0.48 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 3d3m h LYS 742 CO 0.02 0.61 0.03 1.25 -0.57 0.00 0.00 179.45 180.80 3d3m h LEU 743 N 0.08 0.50 -6.41 2.94 6.46 -0.76 -3.42 115.31 114.70 3d3m h LEU 743 Ca -0.00 -0.28 -0.23 0.00 -0.12 0.00 0.00 57.88 57.25 3d3m h LEU 743 Cb 0.97 -0.13 -0.30 0.00 -0.73 0.00 0.00 40.66 40.47 3d3m h LEU 743 CO 0.08 0.65 -0.56 -0.62 -0.62 0.00 0.00 178.44 177.37 3d3m s ASP 744 N -5.97 0.79 -0.05 1.25 2.15 0.09 -5.02 116.67 109.91 3d3m s ASP 744 Ca -0.13 -0.39 0.08 0.00 0.43 0.00 0.00 52.55 52.53 3d3m s ASP 744 Cb 0.08 0.90 0.31 0.00 -0.30 0.00 0.00 42.92 43.91 3d3m s ASP 744 CO 0.76 -0.35 1.12 -0.81 -0.17 0.00 0.00 175.17 175.71 3d3m n PRO 745 N 5.34 2.19 -1.87 4.34 -0.04 -0.92 -4.53 135.00 139.51 3d3m n PRO 745 Ca -0.01 -1.21 -0.42 0.00 -0.04 0.00 0.00 63.50 61.81 3d3m n PRO 745 Cb 0.49 -1.54 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 3d3m n PRO 745 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3d3m s SER 746 N -0.65 6.54 0.22 3.54 0.15 -1.26 -4.91 113.70 117.33 3d3m s SER 746 Ca 0.22 2.63 -0.08 0.00 0.70 0.00 0.00 55.95 59.42 3d3m s SER 746 Cb 0.14 -2.58 0.18 0.00 -1.71 0.00 0.00 66.02 62.05 3d3m s SER 746 CO 0.10 -0.89 1.84 -0.65 1.20 0.00 0.00 173.24 174.84 3d3m h PRO 747 N 7.57 1.18 -0.68 5.44 0.11 -1.90 -1.08 132.00 142.64 3d3m h PRO 747 Ca -0.43 -0.14 0.15 0.00 0.11 0.00 0.00 66.00 65.68 3d3m h PRO 747 Cb 1.20 -0.23 -0.11 0.00 0.11 0.00 0.00 31.00 31.97 3d3m h PRO 747 CO 0.93 0.87 0.02 1.96 -0.21 0.00 0.00 178.00 181.57 3d3m h GLN 748 N 1.17 0.12 -0.07 1.05 7.50 -1.93 0.26 115.11 123.23 3d3m h GLN 748 Ca 0.30 -0.01 -0.02 0.00 0.50 0.00 0.00 58.65 59.41 3d3m h GLN 748 Cb 0.04 -0.03 -0.00 0.00 0.05 0.00 0.00 27.48 27.54 3d3m h GLN 748 CO -0.05 0.08 -0.05 1.15 -1.50 0.00 0.00 178.83 178.47 3d3m h THR 749 N 0.13 1.35 -0.63 -0.54 2.02 -1.68 -0.71 112.91 112.85 3d3m h THR 749 Ca 0.37 -1.12 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 3d3m h THR 749 Cb 0.62 1.95 -0.03 0.00 -1.74 0.00 0.00 68.15 68.95 3d3m h THR 749 CO -0.58 0.31 0.32 0.40 0.37 0.00 0.00 175.52 176.34 3d3m h ILE 750 N -0.25 1.21 -0.12 3.11 2.04 -1.12 0.24 117.51 122.63 3d3m h ILE 750 Ca 0.01 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 3d3m h ILE 750 Cb 0.52 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 3d3m h ILE 750 CO 0.01 0.24 -0.00 0.22 0.00 0.00 0.00 178.15 178.62 3d3m h TYR 751 N 0.86 0.23 -0.96 1.37 3.20 -0.79 -1.19 116.97 119.69 3d3m h TYR 751 Ca 0.22 -0.04 0.10 0.00 3.14 0.00 0.00 58.73 62.14 3d3m h TYR 751 Cb 0.08 -0.06 -0.08 0.00 1.54 0.00 0.00 36.73 38.22 3d3m h TYR 751 CO -0.00 0.45 0.60 -0.22 -1.64 0.00 0.00 178.16 177.35 3d3m h LYS 752 N -0.06 0.97 -0.09 1.82 3.64 -1.08 0.44 116.57 122.21 3d3m h LYS 752 Ca 0.03 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3d3m h LYS 752 Cb 0.36 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3d3m h LYS 752 CO 0.01 0.64 0.05 2.35 -2.27 0.00 0.00 179.45 180.23 3d3m h TRP 753 N 1.00 0.12 -0.34 1.91 7.01 -0.14 0.18 115.95 125.69 3d3m h TRP 753 Ca 0.45 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.49 3d3m h TRP 753 Cb 0.35 -0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 27.33 3d3m h TRP 753 CO -0.02 0.12 0.09 0.82 -2.79 0.00 0.00 178.44 176.66 3d3m h ILE 754 N 0.08 0.87 -0.60 2.65 2.04 -0.47 0.20 117.51 122.28 3d3m h ILE 754 Ca 0.03 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 3d3m h ILE 754 Cb 0.04 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 3d3m h ILE 754 CO -0.01 0.04 0.32 0.11 0.00 0.00 0.00 178.15 178.61 3d3m h LYS 755 N 0.22 0.83 0.00 2.37 1.79 -0.43 -1.89 116.57 119.45 3d3m h LYS 755 Ca 0.16 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 3d3m h LYS 755 Cb 0.15 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 3d3m h LYS 755 CO -0.18 0.62 -0.20 -0.44 -1.08 0.00 0.00 179.45 178.16 3d3m h ASP 756 N 0.84 0.00 0.00 0.86 3.32 -0.43 -3.42 116.42 117.58 3d3m h ASP 756 Ca 0.21 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3d3m h ASP 756 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3d3m h ASP 756 CO -0.03 0.03 -0.05 0.59 -1.72 0.00 0.00 179.24 178.05 3d3m n ASN 757 N -2.40 0.24 -4.32 6.45 3.02 0.69 -5.03 115.26 113.91 3d3m n ASN 757 Ca 0.04 -0.36 -0.33 0.00 -0.03 0.00 0.00 54.58 53.91 3d3m n ASN 757 Cb 0.46 0.76 -0.15 0.00 -0.61 0.00 0.00 39.78 40.24 3d3m n ASN 757 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3d3m s ILE 758 N -0.81 2.68 -0.30 2.41 1.01 -0.76 -5.05 121.20 120.38 3d3m s ILE 758 Ca 0.00 -0.81 -0.43 0.00 0.00 0.00 0.00 60.65 59.42 3d3m s ILE 758 Cb 0.00 -2.08 -0.18 0.00 0.01 0.00 0.00 42.46 40.21 3d3m s ILE 758 CO 0.00 0.54 1.56 -0.24 0.00 0.00 0.00 174.94 176.81 3d3m n SER 759 N 3.39 1.53 0.16 3.58 2.88 -1.26 -4.81 113.62 119.09 3d3m n SER 759 Ca -0.18 1.14 0.09 0.00 -1.33 0.00 0.00 58.87 58.58 3d3m n SER 759 Cb 0.53 -1.01 0.47 0.00 -0.75 0.00 0.00 64.21 63.45 3d3m n SER 759 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3d3m n PRO 760 N 4.05 0.11 -0.26 -1.46 -0.02 -1.26 -0.85 135.00 135.31 3d3m n PRO 760 Ca 0.27 0.60 -0.07 0.00 -2.02 0.00 0.00 63.50 62.28 3d3m n PRO 760 Cb 0.05 -1.99 0.05 0.00 -0.02 0.00 0.00 33.50 31.59 3d3m n PRO 760 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3d3m h LYS 761 N 0.00 1.10 0.00 -0.52 1.79 -2.04 -3.12 116.57 113.78 3d3m h LYS 761 Ca 0.00 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 3d3m h LYS 761 Cb 0.24 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 3d3m h LYS 761 CO 0.00 0.94 0.00 -0.07 -1.08 0.00 0.00 179.45 179.24 3d3m h LEU 762 N 1.04 0.00 -2.78 2.94 3.38 -1.35 -3.20 115.31 115.35 3d3m h LEU 762 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3d3m h LEU 762 Cb 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3d3m h LEU 762 CO -0.01 0.00 0.03 0.45 0.09 0.00 0.00 178.44 179.00 3d3m h HIS 763 N 0.00 0.00 -0.21 1.13 3.86 -1.60 -1.64 115.15 116.70 3d3m h HIS 763 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3d3m h HIS 763 Cb 0.45 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.92 3d3m h HIS 763 CO 0.00 0.00 0.00 1.33 0.86 0.00 0.00 177.93 180.12 3d3m n VAL 764 N -3.30 1.07 -2.87 2.45 0.24 -1.21 -4.87 118.33 109.84 3d3m n VAL 764 Ca -0.03 -1.06 -0.40 0.00 -2.04 0.00 0.00 64.34 60.81 3d3m n VAL 764 Cb 0.10 0.46 -0.06 0.00 -1.47 0.00 0.00 33.84 32.87 3d3m n VAL 764 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3d3m s ASP 765 N -1.08 7.47 0.27 -1.34 2.15 -0.62 -4.99 116.67 118.53 3d3m s ASP 765 Ca 0.15 1.74 -0.04 0.00 0.43 0.00 0.00 52.55 54.83 3d3m s ASP 765 Cb 0.09 -2.54 0.34 0.00 -0.30 0.00 0.00 42.92 40.50 3d3m s ASP 765 CO 0.09 0.13 1.92 0.11 -0.17 0.00 0.00 175.17 177.25 3d3m h LYS 766 N 4.65 1.17 -0.77 4.34 1.57 -1.94 -1.32 116.57 124.26 3d3m h LYS 766 Ca -0.45 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.19 3d3m h LYS 766 Cb 1.20 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 33.23 3d3m h LYS 766 CO 0.68 0.81 0.33 0.78 -0.57 0.00 0.00 179.45 181.49 3d3m h GLY 767 N 1.20 1.22 1.54 3.86 0.00 -1.94 -1.48 103.07 107.48 3d3m h GLY 767 Ca 0.31 -0.64 -0.21 0.00 0.00 0.00 0.00 47.33 46.79 3d3m h GLY 767 CO -0.06 0.61 -0.83 -2.75 0.00 0.00 0.00 176.54 173.51 3d3m h PHE 768 N 1.11 0.61 -0.68 5.60 3.57 -1.75 -1.70 116.94 123.71 3d3m h PHE 768 Ca 0.26 -0.30 -0.07 0.00 3.53 0.00 0.00 57.97 61.39 3d3m h PHE 768 Cb 0.18 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 3d3m h PHE 768 CO 0.02 1.09 0.13 0.28 -2.23 0.00 0.00 178.31 177.60 3d3m h VAL 769 N 0.27 1.26 -0.10 1.41 2.07 -1.22 0.17 116.25 120.11 3d3m h VAL 769 Ca -0.05 -1.01 0.03 0.00 0.82 0.00 0.00 66.70 66.49 3d3m h VAL 769 Cb 1.44 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 3d3m h VAL 769 CO 0.14 0.38 -0.12 -1.13 0.02 0.00 0.00 177.57 176.86 3d3m h ASN 770 N 1.03 -0.38 0.44 0.57 -0.73 -1.07 -1.44 115.58 113.99 3d3m h ASN 770 Ca 0.21 0.07 -0.09 0.00 1.87 0.00 0.00 56.30 58.36 3d3m h ASN 770 Cb 0.41 0.18 -0.01 0.00 0.27 0.00 0.00 38.32 39.18 3d3m h ASN 770 CO 0.01 -0.17 -0.44 0.16 -0.37 0.00 0.00 177.43 176.62 3d3m h ILE 771 N -0.16 1.32 -0.23 2.57 3.07 -1.15 0.03 117.51 122.96 3d3m h ILE 771 Ca 0.08 -1.53 -0.04 0.00 1.55 0.00 0.00 64.86 64.92 3d3m h ILE 771 Cb 0.27 1.82 -0.01 0.00 -0.27 0.00 0.00 36.82 38.64 3d3m h ILE 771 CO -0.20 0.44 -0.02 0.25 -1.05 0.00 0.00 178.15 177.56 3d3m h LEU 772 N 0.00 0.41 -0.33 0.16 5.85 -0.78 -1.02 115.31 119.60 3d3m h LEU 772 Ca -0.00 -0.34 -0.08 0.00 0.84 0.00 0.00 57.88 58.30 3d3m h LEU 772 Cb 0.79 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 3d3m h LEU 772 CO 0.06 0.65 -0.12 -0.03 -0.34 0.00 0.00 178.44 178.65 3d3m h MET 773 N 0.17 0.67 -0.59 1.25 4.05 -1.10 -1.62 114.93 117.76 3d3m h MET 773 Ca 0.06 -0.28 0.10 0.00 -0.28 0.00 0.00 59.70 59.30 3d3m h MET 773 Cb 0.45 -0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 31.15 3d3m h MET 773 CO 0.02 0.86 0.19 1.15 0.23 0.00 0.00 176.91 179.36 3d3m h THR 774 N 0.44 0.74 -0.37 -0.77 2.02 -0.98 -0.85 112.91 113.15 3d3m h THR 774 Ca 0.08 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 3d3m h THR 774 Cb 0.64 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 3d3m h THR 774 CO 0.04 0.07 0.22 0.28 0.37 0.00 0.00 175.52 176.50 3d3m h SER 775 N 0.36 0.44 -0.64 4.18 0.02 -0.70 -0.84 113.55 116.37 3d3m h SER 775 Ca 0.30 -0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.25 3d3m h SER 775 Cb 0.39 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.77 3d3m h SER 775 CO -0.32 0.36 0.37 -0.26 -1.14 0.00 0.00 176.83 175.83 3d3m h PHE 776 N 0.48 0.68 -0.53 3.45 0.04 -0.72 -1.18 116.94 119.16 3d3m h PHE 776 Ca 0.13 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.82 3d3m h PHE 776 Cb -0.00 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 37.91 3d3m h PHE 776 CO -0.04 0.35 -0.09 -0.07 -0.60 0.00 0.00 178.31 177.86 3d3m h LEU 777 N 0.70 0.97 -0.55 1.54 3.38 -1.02 -1.77 115.31 118.56 3d3m h LEU 777 Ca 0.27 -0.31 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 3d3m h LEU 777 Cb 0.12 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3d3m h LEU 777 CO -0.15 1.08 -0.14 1.56 0.09 0.00 0.00 178.44 180.88 3d3m h GLN 778 N 0.88 1.03 0.13 1.13 4.20 -0.95 -0.72 115.11 120.79 3d3m h GLN 778 Ca 0.14 -0.40 0.01 0.00 0.06 0.00 0.00 58.65 58.47 3d3m h GLN 778 Cb 0.64 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 3d3m h GLN 778 CO 0.04 1.08 -0.19 -0.92 -0.67 0.00 0.00 178.83 178.17 3d3m h TYR 779 N 0.90 -0.50 -0.71 2.96 3.20 -1.05 -0.64 116.97 121.13 3d3m h TYR 779 Ca 0.13 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 3d3m h TYR 779 Cb 0.71 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 39.15 3d3m h TYR 779 CO 0.05 -0.28 0.40 0.82 -1.64 0.00 0.00 178.16 177.51 3d3m h ILE 780 N -0.38 1.22 -0.51 1.81 2.04 -1.14 -1.31 117.51 119.24 3d3m h ILE 780 Ca 0.02 -0.52 -0.06 0.00 1.00 0.00 0.00 64.86 65.30 3d3m h ILE 780 Cb 0.39 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3d3m h ILE 780 CO -0.09 0.23 0.09 -1.28 0.00 0.00 0.00 178.15 177.10 3d3m h SER 781 N 0.98 0.80 -0.99 1.72 0.87 -0.88 0.20 113.55 116.25 3d3m h SER 781 Ca 0.25 -0.26 0.09 0.00 -1.23 0.00 0.00 61.79 60.64 3d3m h SER 781 Cb 0.02 -0.21 -0.07 0.00 -0.44 0.00 0.00 62.40 61.69 3d3m h SER 781 CO -0.04 0.85 0.63 0.77 -0.53 0.00 0.00 176.83 178.52 3d3m h SER 782 N 0.72 0.97 0.05 6.23 4.64 -0.52 0.44 113.55 126.08 3d3m h SER 782 Ca 0.16 0.02 -0.27 0.00 -0.47 0.00 0.00 61.79 61.23 3d3m h SER 782 Cb 0.39 -0.18 0.02 0.00 -0.31 0.00 0.00 62.40 62.32 3d3m h SER 782 CO 0.01 0.58 -1.08 -0.33 -0.87 0.00 0.00 176.83 175.14 3d3m h GLU 783 N 1.08 0.65 0.16 4.77 4.39 -0.23 -3.30 114.58 122.09 3d3m h GLU 783 Ca 0.45 -0.76 -0.30 0.00 0.34 0.00 0.00 59.36 59.09 3d3m h GLU 783 Cb 0.30 0.23 0.01 0.00 -0.10 0.00 0.00 28.75 29.19 3d3m h GLU 783 CO -0.20 1.33 -1.41 0.28 -1.16 0.00 0.00 179.01 177.84 3d3m h VAL 784 N 0.29 1.32 -2.93 3.13 2.07 -0.22 -3.41 116.25 116.50 3d3m h VAL 784 Ca -0.15 -2.87 -0.62 0.00 0.82 0.00 0.00 66.70 63.88 3d3m h VAL 784 Cb 1.74 2.90 -0.42 0.00 -1.52 0.00 0.00 31.29 34.00 3d3m h VAL 784 CO 0.21 0.85 -0.58 0.59 0.02 0.00 0.00 177.57 178.66 3d3m n ASN 785 N -3.55 3.13 0.00 0.57 4.13 0.15 -4.96 115.26 114.72 3d3m n ASN 785 Ca -0.14 -3.25 0.00 0.00 1.68 0.00 0.00 54.58 52.88 3d3m n ASN 785 Cb 1.05 -0.74 0.00 0.00 -1.54 0.00 0.00 39.78 38.55 3d3m n ASN 785 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 3d3m n PRO 786 N 1.77 0.00 0.00 3.52 -0.02 -1.24 -4.64 135.00 134.38 3d3m n PRO 786 Ca 0.22 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 3d3m n PRO 786 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.84 3d3m n PRO 786 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d3m n ALA 796 N 0.00 -0.90 -2.30 3.55 0.00 -1.26 -5.16 120.51 114.44 3d3m n ALA 796 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 3d3m n ALA 796 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 3d3m n ALA 796 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3d3m s PRO 797 N 0.00 3.60 0.72 0.00 0.04 -1.26 -5.10 135.00 132.99 3d3m s PRO 797 Ca 0.00 0.20 -0.11 0.00 0.04 0.00 0.00 61.00 61.14 3d3m s PRO 797 Cb 0.00 -2.42 0.02 0.00 0.04 0.00 0.00 34.50 32.14 3d3m s PRO 797 CO 0.00 -0.10 1.07 -1.54 0.04 0.00 0.00 177.00 176.46 3d3m s SER 798 N -3.80 5.19 0.59 6.66 1.04 -1.26 -4.80 113.70 117.32 3d3m s SER 798 Ca 0.47 1.58 0.29 0.00 0.48 0.00 0.00 55.95 58.77 3d3m s SER 798 Cb -0.10 -2.42 1.53 0.00 0.10 0.00 0.00 66.02 65.13 3d3m s SER 798 CO 0.40 -1.56 1.95 0.07 0.98 0.00 0.00 173.24 175.08 3d3m h LYS 799 N -0.80 0.00 0.25 4.02 2.10 -1.99 -0.80 116.57 119.34 3d3m h LYS 799 Ca -0.44 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 57.87 3d3m h LYS 799 Cb 1.22 0.00 0.04 0.00 -0.90 0.00 0.00 32.23 32.59 3d3m h LYS 799 CO 0.57 0.00 -1.51 0.93 -2.00 0.00 0.00 179.45 177.44 3d3m h GLU 800 N 0.00 0.53 -0.77 0.07 3.07 -2.00 -2.46 114.58 113.02 3d3m h GLU 800 Ca 0.16 -0.90 0.04 0.00 -0.50 0.00 0.00 59.36 58.17 3d3m h GLU 800 Cb 0.96 0.33 -0.05 0.00 -0.84 0.00 0.00 28.75 29.15 3d3m h GLU 800 CO -0.00 1.43 0.48 1.96 -1.40 0.00 0.00 179.01 181.48 3d3m h GLN 801 N 0.13 0.90 -0.37 2.33 4.20 -1.77 -1.62 115.11 118.91 3d3m h GLN 801 Ca -0.27 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.31 3d3m h GLN 801 Cb 2.16 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 29.72 3d3m h GLN 801 CO 0.26 0.59 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.87 3d3m h LEU 802 N 0.92 0.61 -0.18 1.46 3.38 -1.15 -1.38 115.31 118.96 3d3m h LEU 802 Ca 0.32 -0.15 -0.19 0.00 0.09 0.00 0.00 57.88 57.94 3d3m h LEU 802 Cb 0.07 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.66 3d3m h LEU 802 CO -0.13 0.73 -0.64 -0.08 0.09 0.00 0.00 178.44 178.41 3d3m h GLU 803 N 0.58 0.75 -0.37 1.13 4.57 -1.30 -1.50 114.58 118.44 3d3m h GLU 803 Ca 0.11 -0.56 -0.01 0.00 -1.18 0.00 0.00 59.36 57.72 3d3m h GLU 803 Cb 0.48 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.16 3d3m h GLU 803 CO 0.03 1.18 0.21 0.37 -1.18 0.00 0.00 179.01 179.62 3d3m h GLN 804 N 0.47 0.50 -0.39 1.92 4.15 -1.23 0.85 115.11 121.38 3d3m h GLN 804 Ca -0.03 -0.05 0.08 0.00 0.77 0.00 0.00 58.65 59.42 3d3m h GLN 804 Cb 1.26 -0.10 -0.09 0.00 0.21 0.00 0.00 27.48 28.76 3d3m h GLN 804 CO 0.13 0.40 -0.22 1.49 -1.93 0.00 0.00 178.83 178.71 3d3m h GLU 805 N 0.47 -0.15 -0.49 1.69 4.81 -1.25 0.77 114.58 120.43 3d3m h GLU 805 Ca 0.13 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3d3m h GLU 805 Cb 0.04 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 3d3m h GLU 805 CO -0.02 -0.10 0.24 -0.22 -0.73 0.00 0.00 179.01 178.18 3d3m h LYS 806 N -0.15 0.70 -0.60 1.92 3.64 -0.93 -0.84 116.57 120.30 3d3m h LYS 806 Ca 0.19 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.40 3d3m h LYS 806 Cb 0.45 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 3d3m h LYS 806 CO -0.48 0.58 0.11 1.96 -2.27 0.00 0.00 179.45 179.34 3d3m h GLN 807 N 0.64 0.96 -0.39 1.90 1.08 -0.46 -0.92 115.11 117.92 3d3m h GLN 807 Ca 0.17 -0.23 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 3d3m h GLN 807 Cb 0.11 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 3d3m h GLN 807 CO -0.02 0.88 0.22 -0.07 -0.95 0.00 0.00 178.83 178.89 3d3m h LEU 808 N 0.91 0.48 -0.53 1.46 3.38 -0.57 -0.84 115.31 119.59 3d3m h LEU 808 Ca 0.19 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.16 3d3m h LEU 808 Cb 0.38 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 3d3m h LEU 808 CO 0.01 0.41 0.21 -0.07 0.09 0.00 0.00 178.44 179.08 3d3m h LEU 809 N 0.50 0.23 -1.01 1.67 3.38 -1.02 -1.76 115.31 117.30 3d3m h LEU 809 Ca 0.14 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.27 3d3m h LEU 809 Cb 0.03 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.74 3d3m h LEU 809 CO -0.02 0.15 0.64 0.25 0.09 0.00 0.00 178.44 179.55 3d3m h LEU 810 N 0.40 0.97 -0.94 1.67 5.85 -0.63 -1.69 115.31 120.93 3d3m h LEU 810 Ca 0.26 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.92 3d3m h LEU 810 Cb 0.27 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3d3m h LEU 810 CO -0.25 0.55 -0.43 0.77 -0.34 0.00 0.00 178.44 178.74 3d3m h SER 811 N 1.06 0.00 0.63 1.25 4.64 -0.29 -2.45 113.55 118.39 3d3m h SER 811 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 3d3m h SER 811 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3d3m h SER 811 CO -0.23 0.43 -0.31 0.49 -0.87 0.00 0.00 176.83 176.35 3d3m n PHE 812 N -3.65 0.00 -0.22 4.77 3.72 -0.70 -4.42 117.46 116.96 3d3m n PHE 812 Ca -0.01 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.40 3d3m n PHE 812 Cb 0.52 -0.32 0.12 0.00 -0.94 0.00 0.00 39.48 38.87 3d3m n PHE 812 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3d3m h LYS 813 N 0.09 0.42 -0.43 -1.08 3.64 -0.88 -1.97 116.57 116.36 3d3m h LYS 813 Ca 0.00 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 3d3m h LYS 813 Cb 0.49 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 3d3m h LYS 813 CO 0.00 0.28 -0.04 -1.00 -2.27 0.00 0.00 179.45 176.42 3d3m h PRO 814 N 0.43 0.73 -0.36 1.90 0.13 -1.79 -0.64 132.00 132.40 3d3m h PRO 814 Ca 0.33 -0.20 -0.08 0.00 -0.87 0.00 0.00 66.00 65.17 3d3m h PRO 814 Cb 0.42 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 3d3m h PRO 814 CO -0.32 0.77 -0.10 0.28 -0.23 0.00 0.00 178.00 178.40 3d3m h VAL 815 N 0.68 1.28 -0.17 1.56 2.07 -1.76 -2.09 116.25 117.81 3d3m h VAL 815 Ca 0.13 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 3d3m h VAL 815 Cb 0.47 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3d3m h VAL 815 CO 0.02 0.39 0.11 0.24 0.02 0.00 0.00 177.57 178.34 3d3m h MET 816 N 0.50 0.24 -0.59 1.57 2.86 -1.01 -2.37 114.93 116.12 3d3m h MET 816 Ca 0.09 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3d3m h MET 816 Cb 0.61 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 3d3m h MET 816 CO 0.04 0.20 0.36 1.96 1.06 0.00 0.00 176.91 180.52 3d3m h GLN 817 N 0.21 0.80 -0.44 1.72 4.20 -1.15 -0.43 115.11 120.01 3d3m h GLN 817 Ca 0.06 -0.07 0.06 0.00 0.06 0.00 0.00 58.65 58.77 3d3m h GLN 817 Cb 0.02 -0.17 -0.05 0.00 0.30 0.00 0.00 27.48 27.58 3d3m h GLN 817 CO -0.01 0.56 0.14 -0.22 -0.67 0.00 0.00 178.83 178.63 3d3m h LYS 818 N 0.81 0.29 0.00 1.46 1.63 -0.83 -0.82 116.57 119.11 3d3m h LYS 818 Ca 0.21 -0.02 -0.12 0.00 -0.85 0.00 0.00 60.65 59.88 3d3m h LYS 818 Cb -0.03 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.51 3d3m h LYS 818 CO -0.04 0.19 -0.87 0.74 -3.45 0.00 0.00 179.45 176.02 3d3m h PHE 819 N 0.29 0.00 0.00 1.91 0.04 -1.33 -3.40 116.94 114.46 3d3m h PHE 819 Ca 0.21 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.63 3d3m h PHE 819 Cb 0.22 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.31 3d3m h PHE 819 CO -0.17 0.49 -2.17 1.28 -0.60 0.00 0.00 178.31 177.14 3d3m n LEU 820 N -3.06 0.38 -4.56 1.54 4.77 -0.21 -4.84 117.00 111.03 3d3m n LEU 820 Ca -0.03 0.13 -0.48 0.00 -0.03 0.00 0.00 56.01 55.61 3d3m n LEU 820 Cb 0.76 0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 42.16 3d3m n LEU 820 CO 0.41 0.48 0.58 1.57 -1.33 0.00 0.00 177.39 179.10 3d3m n HIS 821 N -2.87 1.06 -1.56 -1.77 -0.00 -0.35 -0.78 115.22 108.96 3d3m n HIS 821 Ca -0.28 0.73 -0.19 0.00 0.46 0.00 0.00 57.72 58.44 3d3m n HIS 821 Cb 1.12 -2.23 -0.08 0.00 -0.12 0.00 0.00 29.99 28.68 3d3m n HIS 821 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 3d3m n ASP 822 N 1.73 -5.36 -3.32 0.26 8.00 -1.26 -4.90 116.55 111.70 3d3m n ASP 822 Ca 0.14 0.47 -0.25 0.00 0.71 0.00 0.00 54.79 55.86 3d3m n ASP 822 Cb 0.27 -4.55 -0.08 0.00 -0.02 0.00 0.00 41.12 36.73 3d3m n ASP 822 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3d3m n HIS 823 N -2.43 0.12 -0.29 1.24 8.25 0.04 -4.96 115.22 117.20 3d3m n HIS 823 Ca -0.19 -3.59 0.11 0.00 -0.26 0.00 0.00 57.72 53.79 3d3m n HIS 823 Cb 0.64 -0.20 0.27 0.00 1.12 0.00 0.00 29.99 31.82 3d3m n HIS 823 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3d3m h VAL 824 N 3.08 0.45 -0.56 1.59 2.07 -1.91 -0.31 116.25 120.67 3d3m h VAL 824 Ca 0.15 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 3d3m h VAL 824 Cb 0.86 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3d3m h VAL 824 CO 0.49 0.06 0.15 0.44 0.02 0.00 0.00 177.57 178.73 3d3m h ASP 825 N 0.32 0.78 0.15 0.57 3.32 -1.93 -1.48 116.42 118.15 3d3m h ASP 825 Ca 0.52 -0.13 -0.17 0.00 0.02 0.00 0.00 57.03 57.26 3d3m h ASP 825 Cb 0.97 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 3d3m h ASP 825 CO -0.55 0.76 -0.64 -0.07 -1.72 0.00 0.00 179.24 177.01 3d3m h LEU 826 N 0.82 0.53 -1.01 1.55 3.38 -1.45 -1.88 115.31 117.26 3d3m h LEU 826 Ca 0.18 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.86 3d3m h LEU 826 Cb 0.27 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 3d3m h LEU 826 CO -0.00 1.04 0.66 1.56 0.09 0.00 0.00 178.44 181.79 3d3m h GLN 827 N 0.34 1.27 -0.28 1.13 4.20 -0.73 0.12 115.11 121.17 3d3m h GLN 827 Ca -0.01 -0.08 0.03 0.00 0.06 0.00 0.00 58.65 58.65 3d3m h GLN 827 Cb 1.20 -0.29 -0.03 0.00 0.30 0.00 0.00 27.48 28.66 3d3m h GLN 827 CO 0.11 0.84 0.09 0.28 -0.67 0.00 0.00 178.83 179.49 3d3m h VAL 828 N 1.31 0.92 -0.76 -0.54 2.07 -1.02 -1.24 116.25 116.99 3d3m h VAL 828 Ca 0.39 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.86 3d3m h VAL 828 Cb -0.06 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 3d3m h VAL 828 CO -0.11 0.04 0.50 0.28 0.02 0.00 0.00 177.57 178.30 3d3m h SER 829 N 0.21 0.82 -0.28 0.57 0.02 -0.49 -1.43 113.55 112.97 3d3m h SER 829 Ca 0.12 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.08 3d3m h SER 829 Cb 0.10 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 3d3m h SER 829 CO -0.13 0.58 0.14 0.00 -1.14 0.00 0.00 176.83 176.28 3d3m h ALA 830 N 1.55 0.34 -0.88 3.77 0.00 -0.47 -1.15 119.26 122.41 3d3m h ALA 830 Ca 0.29 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3d3m h ALA 830 Cb -0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3d3m h ALA 830 CO -0.08 -0.25 0.55 -0.07 0.00 0.00 0.00 179.25 179.41 3d3m h LEU 831 N 0.29 1.04 -0.78 0.00 3.38 -0.33 -1.62 115.31 117.30 3d3m h LEU 831 Ca 0.12 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3d3m h LEU 831 Cb 0.04 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 3d3m h LEU 831 CO -0.08 0.78 0.40 1.88 0.09 0.00 0.00 178.44 181.51 3d3m h TYR 832 N 1.21 1.10 -0.42 1.13 0.05 -1.11 0.38 116.97 119.31 3d3m h TYR 832 Ca 0.32 -0.04 0.08 0.00 0.05 0.00 0.00 58.73 59.13 3d3m h TYR 832 Cb -0.08 -0.35 -0.07 0.00 1.01 0.00 0.00 36.73 37.24 3d3m h TYR 832 CO -0.00 0.79 0.01 0.00 -1.05 0.00 0.00 178.16 177.91 3d3m h ALA 833 N 1.20 0.41 -0.40 3.88 0.00 -0.69 0.30 119.26 123.96 3d3m h ALA 833 Ca 0.27 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 3d3m h ALA 833 Cb 0.09 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3d3m h ALA 833 CO -0.04 -0.38 0.08 1.25 0.00 0.00 0.00 179.25 180.17 3d3m h LEU 834 N 0.13 0.61 -0.60 0.00 5.85 -0.97 -0.42 115.31 119.90 3d3m h LEU 834 Ca 0.21 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.72 3d3m h LEU 834 Cb 0.30 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 3d3m h LEU 834 CO -0.34 0.70 0.36 -0.61 -0.34 0.00 0.00 178.44 178.21 3d3m h GLN 835 N 0.50 0.68 -0.01 1.25 4.15 0.65 -0.97 115.11 121.37 3d3m h GLN 835 Ca 0.12 -0.04 -0.16 0.00 0.77 0.00 0.00 58.65 59.34 3d3m h GLN 835 Cb 0.33 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 3d3m h GLN 835 CO 0.00 0.45 -0.75 0.28 -1.93 0.00 0.00 178.83 176.88 3d3m h VAL 836 N 0.70 1.50 -0.47 2.39 2.07 -0.79 -0.67 116.25 120.98 3d3m h VAL 836 Ca 0.25 -2.48 -0.02 0.00 0.82 0.00 0.00 66.70 65.27 3d3m h VAL 836 Cb 0.05 2.34 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 3d3m h VAL 836 CO -0.12 0.71 0.22 -0.74 0.02 0.00 0.00 177.57 177.66 3d3m h HIS 837 N 0.04 0.68 -0.35 1.57 -0.00 -0.63 0.26 115.15 116.72 3d3m h HIS 837 Ca -0.01 -0.04 -0.17 0.00 -0.00 0.00 0.00 60.37 60.15 3d3m h HIS 837 Cb 1.32 -0.21 -0.00 0.00 -0.00 0.00 0.00 27.41 28.52 3d3m h HIS 837 CO 0.01 0.55 -0.45 0.00 -0.00 0.00 0.00 177.93 178.04 3d3m h TYR 839 N 0.73 0.42 0.00 0.00 3.20 -0.92 0.47 116.97 120.87 3d3m h TYR 839 Ca 0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3d3m h TYR 839 Cb 1.05 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.23 3d3m h TYR 839 CO 0.07 0.11 0.00 -0.91 -1.64 0.00 0.00 178.16 175.79 3d3m h ASN 840 N 0.43 0.00 -0.53 -2.11 2.35 -0.39 0.02 115.58 115.35 3d3m h ASN 840 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 3d3m h ASN 840 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3d3m h ASN 840 CO -0.31 0.00 0.00 -1.20 -1.65 0.00 0.00 177.43 174.27 3d3m n SER 841 N -3.03 3.67 -1.61 5.81 7.64 -0.65 -4.92 113.62 120.52 3d3m n SER 841 Ca -0.01 -2.26 -0.16 0.00 1.01 0.00 0.00 58.87 57.45 3d3m n SER 841 Cb 0.22 -0.48 -0.03 0.00 -1.01 0.00 0.00 64.21 62.91 3d3m n SER 841 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3d3m n ASN 842 N 0.93 -4.88 -3.62 6.43 2.85 -0.01 -3.85 115.26 113.12 3d3m n ASN 842 Ca 0.20 0.15 -0.22 0.00 -0.11 0.00 0.00 54.58 54.60 3d3m n ASN 842 Cb 0.67 -3.92 0.00 0.00 1.24 0.00 0.00 39.78 37.77 3d3m n ASN 842 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3d3m n PHE 843 N -3.42 -2.31 -1.67 1.20 3.72 0.16 -4.84 117.46 110.30 3d3m n PHE 843 Ca -0.18 0.93 -0.44 0.00 -0.05 0.00 0.00 57.45 57.71 3d3m n PHE 843 Cb 0.60 -2.91 -0.02 0.00 -0.94 0.00 0.00 39.48 36.21 3d3m n PHE 843 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3d3m n PRO 844 N -2.16 1.96 -1.64 -1.08 -0.02 -1.25 -4.80 135.00 126.01 3d3m n PRO 844 Ca -0.23 0.69 -0.56 0.00 -2.02 0.00 0.00 63.50 61.38 3d3m n PRO 844 Cb 0.66 -2.29 -0.07 0.00 -0.02 0.00 0.00 33.50 31.78 3d3m n PRO 844 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3d3m n LYS 845 N 1.36 0.93 0.00 -0.52 5.02 -1.26 -1.60 118.16 122.09 3d3m n LYS 845 Ca 0.09 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 3d3m n LYS 845 Cb 0.33 -1.97 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 3d3m n LYS 845 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d3m n GLY 846 N 3.19 2.10 0.10 0.72 0.00 -1.26 -4.92 105.19 105.13 3d3m n GLY 846 Ca 0.23 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 3d3m n GLY 846 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3d3m h MET 847 N 2.63 -0.12 -0.62 1.61 -1.53 -1.64 -1.02 114.93 114.24 3d3m h MET 847 Ca 0.00 0.01 0.09 0.00 -3.44 0.00 0.00 59.70 56.36 3d3m h MET 847 Cb 0.00 0.03 -0.07 0.00 -0.55 0.00 0.00 31.60 31.00 3d3m h MET 847 CO 0.00 0.41 0.24 1.25 0.14 0.00 0.00 176.91 178.96 3d3m h LEU 848 N -0.81 0.25 -0.60 3.39 5.85 -1.92 -2.03 115.31 119.45 3d3m h LEU 848 Ca -0.01 0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.66 3d3m h LEU 848 Cb 0.59 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3d3m h LEU 848 CO 0.02 0.15 -0.24 0.25 -0.34 0.00 0.00 178.44 178.27 3d3m h LEU 849 N 0.43 0.88 -1.36 2.25 5.85 -1.85 -1.22 115.31 120.28 3d3m h LEU 849 Ca 0.31 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 3d3m h LEU 849 Cb 0.38 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3d3m h LEU 849 CO -0.30 1.08 -0.22 0.08 -0.34 0.00 0.00 178.44 178.74 3d3m h ARG 850 N 0.74 0.15 -0.02 1.25 0.11 -0.80 -0.25 114.38 115.55 3d3m h ARG 850 Ca 0.09 -0.04 -0.26 0.00 0.10 0.00 0.00 59.98 59.87 3d3m h ARG 850 Cb 0.79 -0.02 0.02 0.00 1.11 0.00 0.00 29.97 31.87 3d3m h ARG 850 CO 0.07 0.37 -1.00 0.74 0.10 0.00 0.00 179.97 180.24 3d3m h PHE 851 N 0.14 1.06 -0.51 4.08 0.04 -1.12 -1.33 116.94 119.30 3d3m h PHE 851 Ca 0.02 -0.56 0.10 0.00 2.80 0.00 0.00 57.97 60.34 3d3m h PHE 851 Cb 0.47 -0.13 -0.09 0.00 2.20 0.00 0.00 35.95 38.41 3d3m h PHE 851 CO 0.00 1.39 -0.05 0.74 -0.60 0.00 0.00 178.31 179.80 3d3m h PHE 852 N 0.42 -0.12 -0.60 -0.55 -1.00 -0.75 0.03 116.94 114.36 3d3m h PHE 852 Ca -0.12 0.04 -0.02 0.00 2.81 0.00 0.00 57.97 60.68 3d3m h PHE 852 Cb 1.65 0.13 -0.03 0.00 3.61 0.00 0.00 35.95 41.32 3d3m h PHE 852 CO 0.10 -0.16 0.30 0.28 -1.61 0.00 0.00 178.31 177.22 3d3m h VAL 853 N 0.07 1.21 0.06 -0.55 2.07 -0.95 -0.56 116.25 117.60 3d3m h VAL 853 Ca 0.25 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 3d3m h VAL 853 Cb 0.39 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3d3m h VAL 853 CO -0.46 0.24 -0.03 0.45 0.02 0.00 0.00 177.57 177.78 3d3m h HIS 854 N 0.82 -0.07 -0.81 1.57 3.86 -0.98 0.37 115.15 119.91 3d3m h HIS 854 Ca 0.21 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.45 3d3m h HIS 854 Cb 0.10 0.02 -0.05 0.00 1.06 0.00 0.00 27.41 28.55 3d3m h HIS 854 CO -0.00 0.01 0.51 0.74 0.86 0.00 0.00 177.93 180.05 3d3m h PHE 855 N -0.14 0.96 0.19 2.45 0.04 -0.80 0.23 116.94 119.86 3d3m h PHE 855 Ca -0.01 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 3d3m h PHE 855 Cb 0.12 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 37.96 3d3m h PHE 855 CO -0.05 0.54 -0.09 -0.92 -0.60 0.00 0.00 178.31 177.19 3d3m h TYR 856 N 0.99 -0.23 -0.96 -0.55 3.20 -1.00 0.14 116.97 118.56 3d3m h TYR 856 Ca 0.33 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.28 3d3m h TYR 856 Cb 0.03 0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.30 3d3m h TYR 856 CO -0.03 0.04 0.62 -0.44 -1.64 0.00 0.00 178.16 176.71 3d3m h ASP 857 N -0.49 0.92 0.07 -2.11 5.19 0.08 -1.96 116.42 118.12 3d3m h ASP 857 Ca -0.03 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3d3m h ASP 857 Cb 0.37 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.72 3d3m h ASP 857 CO 0.04 0.54 -0.04 0.23 -3.12 0.00 0.00 179.24 176.89 3d3m n MET 858 N -4.54 1.29 -3.81 3.56 2.81 0.77 -4.87 117.12 112.32 3d3m n MET 858 Ca 0.16 -0.59 -0.28 0.00 -1.81 0.00 0.00 57.70 55.19 3d3m n MET 858 Cb 0.28 -1.49 0.04 0.00 -0.71 0.00 0.00 33.22 31.34 3d3m n MET 858 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3d3m n GLU 859 N -0.35 -6.12 0.07 0.03 1.02 -0.74 -4.88 120.64 109.69 3d3m n GLU 859 Ca 0.19 0.66 -0.17 0.00 -0.02 0.00 0.00 57.16 57.82 3d3m n GLU 859 Cb 0.29 -5.57 -0.14 0.00 -0.02 0.00 0.00 31.44 25.99 3d3m n GLU 859 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3d3m h ILE 860 N -2.22 1.18 -3.52 -3.67 2.04 -1.00 -3.46 117.51 106.85 3d3m h ILE 860 Ca -0.58 -2.80 -0.55 0.00 1.00 0.00 0.00 64.86 61.93 3d3m h ILE 860 Cb 1.37 2.79 -0.33 0.00 -0.74 0.00 0.00 36.82 39.91 3d3m h ILE 860 CO 0.63 0.83 -0.83 -0.63 0.00 0.00 0.00 178.15 178.15 3d3m s ILE 861 N -2.62 1.34 0.36 -0.67 -1.09 -0.89 -4.81 121.20 112.82 3d3m s ILE 861 Ca -0.09 -0.61 -0.06 0.00 -2.23 0.00 0.00 60.65 57.65 3d3m s ILE 861 Cb 0.07 -1.19 -0.05 0.00 -1.58 0.00 0.00 42.46 39.71 3d3m s ILE 861 CO 0.86 0.40 0.66 -1.61 -1.23 0.00 0.00 174.94 174.02 3d3m s GLU 862 N 0.46 3.66 0.25 2.79 2.02 -1.26 -4.21 118.70 122.40 3d3m s GLU 862 Ca -0.13 0.17 -0.10 0.00 0.02 0.00 0.00 54.97 54.94 3d3m s GLU 862 Cb -0.15 -2.52 0.38 0.00 0.10 0.00 0.00 34.13 31.94 3d3m s GLU 862 CO 0.04 0.06 1.60 1.49 0.02 0.00 0.00 175.26 178.47 3d3m h GLU 863 N 1.26 0.01 -0.95 1.61 4.81 -1.99 -0.95 114.58 118.38 3d3m h GLU 863 Ca -0.48 -0.00 0.17 0.00 -0.13 0.00 0.00 59.36 58.92 3d3m h GLU 863 Cb 1.19 -0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.47 3d3m h GLU 863 CO 0.64 0.01 0.54 0.93 -0.73 0.00 0.00 179.01 180.40 3d3m h GLU 864 N 0.01 0.70 -0.05 1.92 3.07 -2.00 -1.64 114.58 116.60 3d3m h GLU 864 Ca 0.41 -0.04 -0.14 0.00 -0.50 0.00 0.00 59.36 59.09 3d3m h GLU 864 Cb 0.65 -0.16 0.01 0.00 -0.84 0.00 0.00 28.75 28.41 3d3m h GLU 864 CO -0.83 0.46 -0.51 0.00 -1.40 0.00 0.00 179.01 176.73 3d3m h ALA 865 N 1.61 0.13 -0.50 3.43 0.00 -1.49 -0.60 119.26 121.84 3d3m h ALA 865 Ca 0.53 -0.52 0.10 0.00 0.00 0.00 0.00 54.91 55.02 3d3m h ALA 865 Cb 0.79 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.50 3d3m h ALA 865 CO -0.37 0.33 -0.10 0.74 0.00 0.00 0.00 179.25 179.85 3d3m h PHE 866 N -0.04 -0.22 -0.50 0.00 0.04 -1.25 0.80 116.94 115.77 3d3m h PHE 866 Ca -0.05 0.04 -0.07 0.00 2.80 0.00 0.00 57.97 60.69 3d3m h PHE 866 Cb 1.19 0.17 -0.02 0.00 2.20 0.00 0.00 35.95 39.50 3d3m h PHE 866 CO 0.13 -0.20 0.03 -0.07 -0.60 0.00 0.00 178.31 177.60 3d3m h LEU 867 N 0.02 0.85 -0.58 1.54 3.38 -1.12 -1.70 115.31 117.70 3d3m h LEU 867 Ca 0.25 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.97 3d3m h LEU 867 Cb 0.38 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 3d3m h LEU 867 CO -0.50 0.93 0.31 0.00 0.09 0.00 0.00 178.44 179.27 3d3m h ALA 868 N 0.95 0.75 -0.53 1.53 0.00 -0.92 -2.29 119.26 118.75 3d3m h ALA 868 Ca 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3d3m h ALA 868 Cb 0.48 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3d3m h ALA 868 CO 0.02 -0.02 0.31 2.35 0.00 0.00 0.00 179.25 181.91 3d3m h TRP 869 N 0.60 0.71 -0.71 0.00 7.01 -0.64 -0.85 115.95 122.06 3d3m h TRP 869 Ca 0.25 -0.01 0.14 0.00 2.11 0.00 0.00 58.89 61.38 3d3m h TRP 869 Cb 0.14 -0.23 -0.09 0.00 -2.10 0.00 0.00 29.16 26.88 3d3m h TRP 869 CO -0.09 0.50 0.24 -0.22 -2.79 0.00 0.00 178.44 176.08 3d3m h LYS 870 N 0.71 0.36 0.00 2.65 3.64 -0.77 -2.50 116.57 120.65 3d3m h LYS 870 Ca 0.19 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3d3m h LYS 870 Cb 0.01 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3d3m h LYS 870 CO -0.03 0.24 -0.51 0.39 -2.27 0.00 0.00 179.45 177.26 3d3m n GLU 871 N -5.06 0.16 -2.57 1.90 1.02 -0.95 -4.90 120.64 110.24 3d3m n GLU 871 Ca 0.13 0.05 -0.41 0.00 -0.02 0.00 0.00 57.16 56.91 3d3m n GLU 871 Cb 0.39 -1.61 -0.04 0.00 -0.02 0.00 0.00 31.44 30.17 3d3m n GLU 871 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3d3m s ASP 872 N -3.70 7.33 0.00 1.62 2.15 -0.35 -4.86 116.67 118.86 3d3m s ASP 872 Ca 0.09 2.04 0.00 0.00 0.43 0.00 0.00 52.55 55.11 3d3m s ASP 872 Cb 0.15 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 3d3m s ASP 872 CO 0.69 -0.16 0.00 0.00 -0.17 0.00 0.00 175.17 175.53 3d3m n ILE 873 N 2.31 0.00 -0.24 4.11 0.13 -1.26 -4.82 119.36 119.58 3d3m n ILE 873 Ca 0.02 -0.05 0.05 0.00 -1.10 0.00 0.00 62.75 61.67 3d3m n ILE 873 Cb 0.47 0.47 0.17 0.00 -0.84 0.00 0.00 39.64 39.90 3d3m n ILE 873 CO 0.00 0.00 0.00 0.71 2.80 0.00 0.00 176.55 180.06 3d3m h THR 874 N 0.00 0.51 -3.81 9.51 1.35 -1.99 -3.29 112.91 115.19 3d3m h THR 874 Ca 0.00 -0.08 -0.50 0.00 -0.55 0.00 0.00 66.41 65.27 3d3m h THR 874 Cb 0.00 0.25 0.02 0.00 -1.73 0.00 0.00 68.15 66.68 3d3m h THR 874 CO 0.00 0.04 0.47 -1.10 -0.25 0.00 0.00 175.52 174.69 3d3m s GLN 875 N -6.06 4.63 -0.44 4.72 -1.52 -1.26 -5.03 119.66 114.71 3d3m s GLN 875 Ca -0.13 1.79 0.02 0.00 -1.95 0.00 0.00 55.36 55.10 3d3m s GLN 875 Cb 0.21 -3.18 0.13 0.00 -0.22 0.00 0.00 33.01 29.95 3d3m s GLN 875 CO 0.75 0.21 0.23 -1.21 -0.25 0.00 0.00 175.29 175.03 3d3m s GLU 876 N -1.46 1.28 0.07 2.91 2.02 -1.24 -5.06 118.70 117.22 3d3m s GLU 876 Ca 0.45 -1.99 -0.02 0.00 0.02 0.00 0.00 54.97 53.43 3d3m s GLU 876 Cb -0.32 -2.34 -0.04 0.00 0.10 0.00 0.00 34.13 31.53 3d3m s GLU 876 CO 0.41 -1.16 0.25 -0.06 0.02 0.00 0.00 175.26 174.72 3d3m s PHE 877 N 0.37 3.51 0.78 1.61 0.08 -1.26 -5.10 117.98 117.98 3d3m s PHE 877 Ca 0.17 0.35 -0.14 0.00 0.12 0.00 0.00 56.93 57.43 3d3m s PHE 877 Cb -0.25 -1.84 0.06 0.00 -0.57 0.00 0.00 43.02 40.43 3d3m s PHE 877 CO 0.00 0.55 1.18 -0.35 -0.10 0.00 0.00 175.22 176.50 3d3m n PRO 878 N 0.31 0.31 -0.42 0.24 -0.04 -1.26 -4.21 135.00 129.93 3d3m n PRO 878 Ca -0.05 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 3d3m n PRO 878 Cb 0.51 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 3d3m n PRO 878 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3d3m n GLY 879 N 0.66 0.77 0.32 0.55 0.00 -1.26 -4.60 105.19 101.63 3d3m n GLY 879 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 3d3m n GLY 879 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3d3m h LYS 880 N 3.07 1.04 -0.27 1.61 1.63 -1.96 0.12 116.57 121.82 3d3m h LYS 880 Ca 0.00 -0.06 -0.08 0.00 -0.85 0.00 0.00 60.65 59.66 3d3m h LYS 880 Cb 0.00 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 31.39 3d3m h LYS 880 CO 0.00 0.69 -0.13 0.78 -3.45 0.00 0.00 179.45 177.34 3d3m h GLY 881 N 1.07 0.61 1.88 5.01 0.00 -1.95 -1.03 103.07 108.67 3d3m h GLY 881 Ca 0.32 -0.55 -0.15 0.00 0.00 0.00 0.00 47.33 46.95 3d3m h GLY 881 CO -0.09 0.50 -0.68 1.70 0.00 0.00 0.00 176.54 177.97 3d3m h LYS 882 N 0.31 0.12 -0.17 4.80 3.64 -1.98 -2.14 116.57 121.14 3d3m h LYS 882 Ca 0.06 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3d3m h LYS 882 Cb 0.63 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 3d3m h LYS 882 CO 0.04 0.75 0.10 0.00 -2.27 0.00 0.00 179.45 178.07 3d3m h ALA 883 N 1.23 0.22 -0.08 5.00 0.00 -0.64 -2.71 119.26 122.28 3d3m h ALA 883 Ca -0.01 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3d3m h ALA 883 Cb 1.20 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3d3m h ALA 883 CO 0.10 -0.28 -0.31 -0.07 0.00 0.00 0.00 179.25 178.69 3d3m h LEU 884 N 0.20 0.14 -0.84 0.00 3.38 -1.08 -1.71 115.31 115.41 3d3m h LEU 884 Ca 0.06 -0.05 0.18 0.00 0.09 0.00 0.00 57.88 58.17 3d3m h LEU 884 Cb 0.01 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 40.61 3d3m h LEU 884 CO -0.01 0.45 0.35 0.15 0.09 0.00 0.00 178.44 179.47 3d3m h PHE 885 N 0.13 0.58 0.00 1.13 3.57 -1.15 -0.11 116.94 121.09 3d3m h PHE 885 Ca 0.02 0.04 -0.19 0.00 3.53 0.00 0.00 57.97 61.36 3d3m h PHE 885 Cb 0.61 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 3d3m h PHE 885 CO 0.01 0.01 -0.91 1.96 -2.23 0.00 0.00 178.31 177.15 3d3m h GLN 886 N 0.43 0.02 -0.00 1.11 4.20 -1.02 -3.38 115.11 116.47 3d3m h GLN 886 Ca 0.49 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.17 3d3m h GLN 886 Cb 0.84 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.63 3d3m h GLN 886 CO -0.47 0.91 -0.23 1.33 -0.67 0.00 0.00 178.83 179.70 3d3m n VAL 887 N -3.48 0.00 -0.23 -0.54 0.24 -0.90 -4.73 118.33 108.68 3d3m n VAL 887 Ca -0.01 -0.39 0.01 0.00 -2.04 0.00 0.00 64.34 61.92 3d3m n VAL 887 Cb 0.86 1.05 0.13 0.00 -1.47 0.00 0.00 33.84 34.41 3d3m n VAL 887 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 3d3m h ASN 888 N 0.47 0.38 -0.65 -1.34 2.35 -1.21 0.12 115.58 115.70 3d3m h ASN 888 Ca 0.00 0.07 0.05 0.00 -0.55 0.00 0.00 56.30 55.86 3d3m h ASN 888 Cb 0.21 0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.55 3d3m h ASN 888 CO 0.00 0.22 0.38 -0.61 -1.65 0.00 0.00 177.43 175.77 3d3m h GLN 889 N 0.54 0.70 -0.25 0.81 -0.00 -1.85 -0.09 115.11 114.98 3d3m h GLN 889 Ca 0.34 -0.04 -0.19 0.00 -0.00 0.00 0.00 58.65 58.76 3d3m h GLN 889 Cb 0.39 -0.16 0.00 0.00 0.00 0.00 0.00 27.48 27.72 3d3m h GLN 889 CO -0.29 0.46 -0.60 2.35 0.00 0.00 0.00 178.83 180.75 3d3m h TRP 890 N 0.72 1.04 -0.67 3.99 7.01 -1.48 -1.45 115.95 125.10 3d3m h TRP 890 Ca 0.28 -0.39 -0.03 0.00 2.11 0.00 0.00 58.89 60.86 3d3m h TRP 890 Cb 0.11 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 26.95 3d3m h TRP 890 CO -0.07 1.21 0.28 -0.07 -2.79 0.00 0.00 178.44 177.01 3d3m h LEU 891 N 0.61 0.89 -0.38 0.65 3.38 -0.42 0.24 115.31 120.27 3d3m h LEU 891 Ca -0.00 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3d3m h LEU 891 Cb 1.20 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 3d3m h LEU 891 CO 0.13 0.78 0.19 0.74 0.09 0.00 0.00 178.44 180.37 3d3m h THR 892 N 0.96 1.17 -0.35 0.22 2.02 -0.75 -0.89 112.91 115.29 3d3m h THR 892 Ca 0.23 -0.46 0.04 0.00 0.77 0.00 0.00 66.41 66.98 3d3m h THR 892 Cb 0.16 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 3d3m h THR 892 CO -0.02 0.18 0.14 -0.25 0.37 0.00 0.00 175.52 175.94 3d3m h TRP 893 N 0.48 0.26 -0.34 3.16 7.01 -0.69 -2.58 115.95 123.25 3d3m h TRP 893 Ca 0.13 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.22 3d3m h TRP 893 Cb 0.11 -0.06 -0.08 0.00 -2.10 0.00 0.00 29.16 27.02 3d3m h TRP 893 CO -0.02 0.12 -0.18 1.25 -2.79 0.00 0.00 178.44 176.83 3d3m h LEU 894 N 0.30 -0.60 0.00 0.65 5.85 -0.18 -3.51 115.31 117.82 3d3m h LEU 894 Ca 0.16 0.14 0.00 0.00 0.84 0.00 0.00 57.88 59.01 3d3m h LEU 894 Cb 0.11 0.32 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3d3m h LEU 894 CO -0.14 -0.21 0.00 1.21 -0.34 0.00 0.00 178.44 178.96