#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 0.66 0.64 2.23 6.46 -1.99 -1.95 115.31 121.36 3d3m h LEU 731 Ca 0.00 -0.22 -0.03 0.00 -0.12 0.00 0.00 57.88 57.51 3d3m h LEU 731 Cb 0.00 -0.18 0.01 0.00 -0.73 0.00 0.00 40.66 39.76 3d3m h LEU 731 CO 0.00 0.86 -0.31 0.50 -0.62 0.00 0.00 178.44 178.87 3d3m h LYS 732 N 0.58 -0.83 -0.96 1.25 3.64 -2.06 -2.84 116.57 115.35 3d3m h LYS 732 Ca 0.09 0.06 0.21 0.00 -1.27 0.00 0.00 60.65 59.73 3d3m h LYS 732 Cb 0.67 0.19 -0.08 0.00 -0.41 0.00 0.00 32.23 32.59 3d3m h LYS 732 CO 0.05 -0.54 0.62 1.25 -2.27 0.00 0.00 179.45 178.56 3d3m h LEU 733 N -0.91 0.54 -1.17 5.20 7.12 -1.99 2.55 115.31 126.66 3d3m h LEU 733 Ca -0.09 0.07 -0.07 0.00 0.13 0.00 0.00 57.88 57.91 3d3m h LEU 733 Cb 0.68 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.76 3d3m h LEU 733 CO 0.14 0.19 -0.21 -0.08 -0.13 0.00 0.00 178.44 178.35 3d3m h GLU 734 N 0.53 0.32 0.30 1.25 4.81 -1.26 -0.46 114.58 120.07 3d3m h GLU 734 Ca 0.53 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.64 3d3m h GLU 734 Cb 1.14 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.49 3d3m h GLU 734 CO -0.26 0.52 -0.14 0.87 -0.73 0.00 0.00 179.01 179.27 3d3m h LYS 735 N 0.29 -0.38 -0.43 1.92 1.79 0.46 -1.85 116.57 118.37 3d3m h LYS 735 Ca 0.05 0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.53 3d3m h LYS 735 Cb 0.54 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.26 3d3m h LYS 735 CO 0.04 -0.14 0.19 1.49 -1.08 0.00 0.00 179.45 179.94 3d3m h GLU 736 N -0.57 0.62 -0.84 3.15 4.57 -0.89 -2.24 114.58 118.39 3d3m h GLU 736 Ca -0.04 -0.10 0.05 0.00 -1.18 0.00 0.00 59.36 58.09 3d3m h GLU 736 Cb 0.42 -0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 28.84 3d3m h GLU 736 CO 0.07 0.56 0.52 1.25 -1.18 0.00 0.00 179.01 180.23 3d3m h LEU 737 N 0.54 0.83 -0.48 1.64 5.85 -1.07 -0.52 115.31 122.10 3d3m h LEU 737 Ca 0.14 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.71 3d3m h LEU 737 Cb 0.16 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3d3m h LEU 737 CO -0.01 0.54 -0.63 0.25 -0.34 0.00 0.00 178.44 178.25 3d3m h LEU 738 N 0.97 0.54 -0.65 2.25 5.85 -1.07 -0.76 115.31 122.44 3d3m h LEU 738 Ca 0.36 -0.31 0.07 0.00 0.84 0.00 0.00 57.88 58.84 3d3m h LEU 738 Cb 0.13 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 3d3m h LEU 738 CO -0.16 1.03 0.32 0.50 -0.34 0.00 0.00 178.44 179.79 3d3m h LYS 739 N 0.35 0.56 -0.46 1.25 3.64 -1.18 -1.63 116.57 119.10 3d3m h LYS 739 Ca -0.01 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.22 3d3m h LYS 739 Cb 1.18 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 3d3m h LYS 739 CO 0.11 0.37 -0.17 1.96 -2.27 0.00 0.00 179.45 179.45 3d3m h GLN 740 N 0.58 0.89 -0.66 1.90 1.08 -0.69 -1.42 115.11 116.80 3d3m h GLN 740 Ca 0.31 -0.34 -0.05 0.00 -1.45 0.00 0.00 58.65 57.11 3d3m h GLN 740 Cb 0.28 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.63 3d3m h GLN 740 CO -0.23 0.99 0.21 0.82 -0.95 0.00 0.00 178.83 179.67 3d3m h ILE 741 N 0.79 1.25 -0.41 2.54 2.04 -0.71 -2.29 117.51 120.72 3d3m h ILE 741 Ca 0.12 -0.85 -0.07 0.00 1.00 0.00 0.00 64.86 65.06 3d3m h ILE 741 Cb 0.71 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 3d3m h ILE 741 CO 0.05 0.33 -0.03 0.11 0.00 0.00 0.00 178.15 178.61 3d3m h LYS 742 N 0.95 0.74 -0.94 2.37 1.57 -1.09 -1.90 116.57 118.28 3d3m h LYS 742 Ca 0.21 -0.25 0.19 0.00 -1.87 0.00 0.00 60.65 58.93 3d3m h LYS 742 Cb 0.28 -0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.46 3d3m h LYS 742 CO -0.01 0.84 0.60 -0.07 -0.57 0.00 0.00 179.45 180.25 3d3m h LEU 743 N 0.57 0.57 -5.95 2.94 3.38 -1.16 -3.40 115.31 112.26 3d3m h LEU 743 Ca 0.11 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.21 3d3m h LEU 743 Cb 0.53 -0.05 -0.20 0.00 0.09 0.00 0.00 40.66 41.03 3d3m h LEU 743 CO 0.03 0.23 -0.29 -0.62 0.09 0.00 0.00 178.44 177.88 3d3m s ASP 744 N -5.59 -1.24 -0.04 -0.43 2.15 -0.87 -5.03 116.67 105.62 3d3m s ASP 744 Ca -0.09 -0.03 0.02 0.00 0.43 0.00 0.00 52.55 52.87 3d3m s ASP 744 Cb 0.23 1.73 0.11 0.00 -0.30 0.00 0.00 42.92 44.70 3d3m s ASP 744 CO 0.79 -0.21 0.78 -0.81 -0.17 0.00 0.00 175.17 175.55 3d3m n PRO 745 N 5.06 1.46 -1.86 4.34 -0.04 -0.74 -4.53 135.00 138.69 3d3m n PRO 745 Ca 0.07 -0.44 -0.42 0.00 -0.04 0.00 0.00 63.50 62.67 3d3m n PRO 745 Cb 0.56 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 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 0.08 6.52 0.31 3.54 0.15 -1.26 -4.87 113.70 118.16 3d3m s SER 746 Ca 0.08 2.68 0.03 0.00 0.70 0.00 0.00 55.95 59.44 3d3m s SER 746 Cb 0.06 -2.59 0.62 0.00 -1.71 0.00 0.00 66.02 62.40 3d3m s SER 746 CO 0.02 -0.89 1.87 -0.65 1.20 0.00 0.00 173.24 174.79 3d3m h PRO 747 N 7.11 0.90 -0.59 5.44 0.11 -1.89 -1.60 132.00 141.48 3d3m h PRO 747 Ca -0.43 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 3d3m h PRO 747 Cb 1.20 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 3d3m h PRO 747 CO 0.93 0.59 0.30 0.37 -0.21 0.00 0.00 178.00 179.98 3d3m h GLN 748 N 0.92 0.83 -0.35 1.05 4.15 -1.93 -1.07 115.11 118.71 3d3m h GLN 748 Ca 0.45 -0.11 -0.12 0.00 0.77 0.00 0.00 58.65 59.63 3d3m h GLN 748 Cb 0.46 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 3d3m h GLN 748 CO -0.21 0.66 -0.26 1.15 -1.93 0.00 0.00 178.83 178.24 3d3m h THR 749 N 0.79 1.29 -0.25 2.39 2.02 -1.70 -1.59 112.91 115.86 3d3m h THR 749 Ca 0.20 -1.42 -0.14 0.00 0.77 0.00 0.00 66.41 65.83 3d3m h THR 749 Cb 0.09 1.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 3d3m h THR 749 CO -0.03 0.47 -0.38 0.40 0.37 0.00 0.00 175.52 176.35 3d3m h ILE 750 N 0.59 1.31 -0.85 3.11 2.04 -1.25 0.93 117.51 123.39 3d3m h ILE 750 Ca 0.07 -1.58 0.02 0.00 1.00 0.00 0.00 64.86 64.37 3d3m h ILE 750 Cb 0.83 1.70 -0.05 0.00 -0.74 0.00 0.00 36.82 38.57 3d3m h ILE 750 CO 0.07 0.50 0.55 0.22 0.00 0.00 0.00 178.15 179.49 3d3m h TYR 751 N 0.43 1.05 -0.41 1.37 3.20 -1.17 -0.61 116.97 120.83 3d3m h TYR 751 Ca 0.02 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 3d3m h TYR 751 Cb 0.97 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 3d3m h TYR 751 CO 0.08 0.63 0.06 -0.22 -1.64 0.00 0.00 178.16 177.07 3d3m h LYS 752 N 1.11 0.69 -0.42 1.82 3.64 -0.88 -1.33 116.57 121.20 3d3m h LYS 752 Ca 0.32 -0.19 0.07 0.00 -1.27 0.00 0.00 60.65 59.58 3d3m h LYS 752 Cb -0.07 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.61 3d3m h LYS 752 CO -0.09 0.74 0.07 2.35 -2.27 0.00 0.00 179.45 180.24 3d3m h TRP 753 N 0.54 0.10 -0.24 1.91 7.01 -0.45 0.29 115.95 125.11 3d3m h TRP 753 Ca 0.12 0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.20 3d3m h TRP 753 Cb 0.39 0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.42 3d3m h TRP 753 CO 0.03 -0.01 -0.06 0.82 -2.79 0.00 0.00 178.44 176.42 3d3m h ILE 754 N 0.19 0.76 -0.12 2.65 2.04 -0.80 -1.15 117.51 121.08 3d3m h ILE 754 Ca 0.20 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.00 3d3m h ILE 754 Cb 0.26 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3d3m h ILE 754 CO -0.28 0.00 -0.21 0.11 0.00 0.00 0.00 178.15 177.77 3d3m h LYS 755 N -0.01 0.21 0.00 2.37 1.57 -0.93 0.08 116.57 119.86 3d3m h LYS 755 Ca 0.11 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3d3m h LYS 755 Cb 0.18 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3d3m h LYS 755 CO -0.25 0.41 -0.45 -0.25 -0.57 0.00 0.00 179.45 178.35 3d3m n ASP 756 N -4.21 0.74 0.00 0.86 8.00 0.06 -4.36 116.55 117.64 3d3m n ASP 756 Ca -0.01 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.74 3d3m n ASP 756 Cb 0.32 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 3d3m n ASP 756 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3d3m n ASN 757 N -2.16 0.22 -3.96 -2.24 3.02 -0.46 -4.99 115.26 104.69 3d3m n ASN 757 Ca 0.04 -0.55 -0.27 0.00 -0.03 0.00 0.00 54.58 53.77 3d3m n ASN 757 Cb 0.44 0.41 -0.17 0.00 -0.61 0.00 0.00 39.78 39.85 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 -0.41 1.16 0.20 2.41 1.01 -0.01 -5.04 121.20 120.52 3d3m s ILE 758 Ca 0.00 -0.40 -0.32 0.00 0.00 0.00 0.00 60.65 59.92 3d3m s ILE 758 Cb 0.00 -1.12 -0.15 0.00 0.01 0.00 0.00 42.46 41.20 3d3m s ILE 758 CO 0.00 0.38 1.28 -0.24 0.00 0.00 0.00 174.94 176.36 3d3m n SER 759 N 4.60 1.98 0.31 3.58 2.88 -1.26 -4.69 113.62 121.02 3d3m n SER 759 Ca -0.16 1.14 0.20 0.00 -1.33 0.00 0.00 58.87 58.72 3d3m n SER 759 Cb 0.50 -1.31 1.07 0.00 -0.75 0.00 0.00 64.21 63.73 3d3m n SER 759 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3d3m h PRO 760 N 3.83 0.00 0.00 -1.46 0.13 -1.93 -0.35 132.00 132.22 3d3m h PRO 760 Ca -0.44 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.66 3d3m h PRO 760 Cb 1.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 3d3m h PRO 760 CO 0.73 0.00 -0.13 0.87 -0.23 0.00 0.00 178.00 179.24 3d3m h LYS 761 N 0.00 0.00 0.00 0.86 1.57 -2.03 -0.50 116.57 116.47 3d3m h LYS 761 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3d3m h LYS 761 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3d3m h LYS 761 CO -0.00 0.13 -0.13 1.28 -0.57 0.00 0.00 179.45 180.16 3d3m n LEU 762 N -3.74 0.37 0.05 2.94 4.77 -0.14 -3.86 117.00 117.39 3d3m n LEU 762 Ca -0.02 0.43 0.08 0.00 -0.03 0.00 0.00 56.01 56.47 3d3m n LEU 762 Cb 0.24 -0.38 0.37 0.00 -2.33 0.00 0.00 43.42 41.31 3d3m n LEU 762 CO 0.31 -0.04 0.76 1.41 -1.33 0.00 0.00 177.39 178.50 3d3m n HIS 763 N -1.78 0.31 -1.01 -1.77 8.25 -0.19 -1.53 115.22 117.50 3d3m n HIS 763 Ca 0.06 0.13 0.09 0.00 -0.26 0.00 0.00 57.72 57.74 3d3m n HIS 763 Cb 0.38 -0.70 0.16 0.00 1.12 0.00 0.00 29.99 30.94 3d3m n HIS 763 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 3d3m n VAL 764 N -1.79 1.93 -3.29 1.59 0.24 -1.25 -4.85 118.33 110.92 3d3m n VAL 764 Ca 0.03 -2.13 -0.38 0.00 -2.04 0.00 0.00 64.34 59.81 3d3m n VAL 764 Cb 0.18 -0.21 -0.06 0.00 -1.47 0.00 0.00 33.84 32.28 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 -2.60 6.93 0.30 -1.34 2.15 -0.58 -4.98 116.67 116.55 3d3m s ASP 765 Ca 0.33 1.10 0.02 0.00 0.43 0.00 0.00 52.55 54.43 3d3m s ASP 765 Cb 0.28 -2.33 0.48 0.00 -0.30 0.00 0.00 42.92 41.05 3d3m s ASP 765 CO 0.04 0.17 1.81 0.11 -0.17 0.00 0.00 175.17 177.13 3d3m h LYS 766 N 5.35 0.61 -0.43 4.34 1.57 -1.94 -1.15 116.57 124.91 3d3m h LYS 766 Ca -0.47 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.05 3d3m h LYS 766 Cb 1.20 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 3d3m h LYS 766 CO 0.67 0.66 -0.15 0.78 -0.57 0.00 0.00 179.45 180.85 3d3m h GLY 767 N 0.92 0.87 0.91 3.86 0.00 -1.93 0.54 103.07 108.23 3d3m h GLY 767 Ca 0.11 -0.69 -0.03 0.00 0.00 0.00 0.00 47.33 46.73 3d3m h GLY 767 CO 0.02 0.63 0.09 -2.75 0.00 0.00 0.00 176.54 174.53 3d3m h PHE 768 N 0.72 0.51 -0.60 5.60 3.57 -1.66 -1.92 116.94 123.16 3d3m h PHE 768 Ca 0.11 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 3d3m h PHE 768 Cb 0.65 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 3d3m h PHE 768 CO 0.03 0.52 0.37 0.28 -2.23 0.00 0.00 178.31 177.29 3d3m h VAL 769 N 0.35 1.17 0.13 1.41 2.07 -0.93 0.13 116.25 120.57 3d3m h VAL 769 Ca 0.10 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3d3m h VAL 769 Cb 0.26 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3d3m h VAL 769 CO -0.00 0.17 -0.07 -1.13 0.02 0.00 0.00 177.57 176.56 3d3m h ASN 770 N 0.82 -0.17 -0.32 0.57 -0.73 -0.51 -1.23 115.58 114.01 3d3m h ASN 770 Ca 0.22 0.01 -0.07 0.00 1.87 0.00 0.00 56.30 58.32 3d3m h ASN 770 Cb -0.04 0.05 -0.02 0.00 0.27 0.00 0.00 38.32 38.57 3d3m h ASN 770 CO -0.04 -0.12 -0.04 0.16 -0.37 0.00 0.00 177.43 177.02 3d3m h ILE 771 N -0.19 1.24 0.48 2.57 3.07 -0.99 0.45 117.51 124.14 3d3m h ILE 771 Ca -0.02 -1.02 -0.02 0.00 1.55 0.00 0.00 64.86 65.36 3d3m h ILE 771 Cb 0.15 0.97 0.00 0.00 -0.27 0.00 0.00 36.82 37.67 3d3m h ILE 771 CO 0.02 0.35 -0.23 0.25 -1.05 0.00 0.00 178.15 177.49 3d3m h LEU 772 N 0.66 -0.54 -0.57 0.16 5.85 -0.49 -1.54 115.31 118.83 3d3m h LEU 772 Ca 0.13 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.74 3d3m h LEU 772 Cb 0.47 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 3d3m h LEU 772 CO 0.02 -0.37 -0.06 -0.03 -0.34 0.00 0.00 178.44 177.66 3d3m h MET 773 N -0.66 1.05 -0.48 1.25 4.05 -1.18 -1.83 114.93 117.13 3d3m h MET 773 Ca -0.07 -0.37 0.05 0.00 -0.28 0.00 0.00 59.70 59.04 3d3m h MET 773 Cb 0.50 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 31.18 3d3m h MET 773 CO 0.11 1.06 0.21 1.15 0.23 0.00 0.00 176.91 179.67 3d3m h THR 774 N 0.94 0.91 -0.62 -0.77 2.02 -0.84 -1.46 112.91 113.08 3d3m h THR 774 Ca 0.15 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.19 3d3m h THR 774 Cb 0.63 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 3d3m h THR 774 CO 0.04 0.08 0.40 0.28 0.37 0.00 0.00 175.52 176.69 3d3m h SER 775 N 0.42 0.73 -0.19 4.18 0.02 -1.13 0.05 113.55 117.63 3d3m h SER 775 Ca 0.22 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 3d3m h SER 775 Cb 0.17 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3d3m h SER 775 CO -0.18 0.54 0.08 -0.26 -1.14 0.00 0.00 176.83 175.87 3d3m h PHE 776 N 0.84 0.28 -0.53 3.45 0.04 -1.13 -0.91 116.94 118.98 3d3m h PHE 776 Ca 0.23 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.97 3d3m h PHE 776 Cb -0.07 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 37.97 3d3m h PHE 776 CO -0.03 0.31 0.28 -0.07 -0.60 0.00 0.00 178.31 178.21 3d3m h LEU 777 N 0.16 0.67 -0.40 1.54 3.38 -0.97 0.10 115.31 119.79 3d3m h LEU 777 Ca 0.06 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 57.97 3d3m h LEU 777 Cb 0.15 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3d3m h LEU 777 CO -0.01 0.58 0.15 1.56 0.09 0.00 0.00 178.44 180.82 3d3m h GLN 778 N 0.71 0.32 -0.14 1.13 4.20 -0.89 -0.75 115.11 119.68 3d3m h GLN 778 Ca 0.19 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 3d3m h GLN 778 Cb 0.07 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3d3m h GLN 778 CO -0.03 0.21 0.08 -0.92 -0.67 0.00 0.00 178.83 177.50 3d3m h TYR 779 N 0.33 0.19 -0.48 2.96 3.20 -0.86 -0.90 116.97 121.40 3d3m h TYR 779 Ca 0.18 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.10 3d3m h TYR 779 Cb 0.14 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.30 3d3m h TYR 779 CO -0.14 0.17 0.21 0.82 -1.64 0.00 0.00 178.16 177.59 3d3m h ILE 780 N 0.15 0.91 -0.32 1.81 2.04 -0.75 -1.35 117.51 119.99 3d3m h ILE 780 Ca 0.05 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.80 3d3m h ILE 780 Cb 0.04 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 3d3m h ILE 780 CO -0.01 0.08 0.12 0.28 0.00 0.00 0.00 178.15 178.61 3d3m h SER 781 N 0.42 0.13 -0.62 1.72 0.02 -0.82 0.15 113.55 114.55 3d3m h SER 781 Ca 0.22 0.03 0.14 0.00 -0.84 0.00 0.00 61.79 61.35 3d3m h SER 781 Cb 0.17 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 3d3m h SER 781 CO -0.19 0.11 0.43 0.77 -1.14 0.00 0.00 176.83 176.82 3d3m h SER 782 N 0.26 0.20 0.17 3.07 4.64 -0.91 0.22 113.55 121.20 3d3m h SER 782 Ca 0.14 0.01 -0.33 0.00 -0.47 0.00 0.00 61.79 61.14 3d3m h SER 782 Cb 0.11 -0.03 0.01 0.00 -0.31 0.00 0.00 62.40 62.18 3d3m h SER 782 CO -0.14 0.11 -1.63 -0.33 -0.87 0.00 0.00 176.83 173.96 3d3m h GLU 783 N 0.21 0.37 0.15 4.77 4.39 -0.25 -3.31 114.58 120.90 3d3m h GLU 783 Ca 0.30 -0.63 -0.31 0.00 0.34 0.00 0.00 59.36 59.06 3d3m h GLU 783 Cb 0.88 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 3d3m h GLU 783 CO -0.06 1.30 -1.48 0.28 -1.16 0.00 0.00 179.01 177.89 3d3m h VAL 784 N -0.00 1.23 -2.15 3.13 2.07 -0.51 -3.39 116.25 116.62 3d3m h VAL 784 Ca -0.33 -2.81 -0.58 0.00 0.82 0.00 0.00 66.70 63.80 3d3m h VAL 784 Cb 2.01 2.84 -0.40 0.00 -1.52 0.00 0.00 31.29 34.23 3d3m h VAL 784 CO 0.15 0.84 -0.92 -3.20 0.02 0.00 0.00 177.57 174.46 3d3m n ASN 785 N -3.52 1.29 -4.80 0.57 2.85 0.76 -4.94 115.26 107.47 3d3m n ASN 785 Ca -0.16 -2.90 -0.33 0.00 -0.11 0.00 0.00 54.58 51.08 3d3m n ASN 785 Cb 1.05 -0.65 0.01 0.00 1.24 0.00 0.00 39.78 41.44 3d3m n ASN 785 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 3d3m s PRO 786 N -1.44 3.27 -0.40 1.20 0.04 -1.25 -4.64 135.00 131.79 3d3m s PRO 786 Ca 0.36 1.26 -0.08 0.00 0.04 0.00 0.00 61.00 62.57 3d3m s PRO 786 Cb 0.14 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.56 3d3m s PRO 786 CO -0.09 -0.85 1.45 -2.30 0.04 0.00 0.00 177.00 175.24 3d3m n PRO 787 N -1.99 0.04 -0.04 0.56 -0.02 -1.26 -5.12 135.00 127.17 3d3m n PRO 787 Ca 0.09 -0.42 -0.04 0.00 -2.02 0.00 0.00 63.50 61.11 3d3m n PRO 787 Cb 0.53 -1.78 -0.01 0.00 -0.02 0.00 0.00 33.50 32.21 3d3m n PRO 787 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3d3m n SER 788 N 8.72 1.11 -3.26 2.55 3.41 -1.26 -5.28 113.62 119.61 3d3m n SER 788 Ca 0.19 0.18 -0.23 0.00 -0.26 0.00 0.00 58.87 58.76 3d3m n SER 788 Cb 0.45 -0.56 0.02 0.00 -0.26 0.00 0.00 64.21 63.86 3d3m n SER 788 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d3m n ALA 796 N -3.61 -2.46 -1.80 7.33 0.00 -1.26 -5.29 120.51 113.43 3d3m n ALA 796 Ca -0.07 0.44 -0.34 0.00 0.00 0.00 0.00 53.44 53.47 3d3m n ALA 796 Cb 0.26 -2.10 -0.04 0.00 0.00 0.00 0.00 19.45 17.57 3d3m n ALA 796 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3d3m s PRO 797 N -2.13 3.84 0.65 0.00 0.02 -1.26 -5.04 135.00 131.07 3d3m s PRO 797 Ca 0.26 1.37 -0.11 0.00 0.02 0.00 0.00 61.00 62.54 3d3m s PRO 797 Cb -0.03 -2.13 -0.02 0.00 0.02 0.00 0.00 34.50 32.34 3d3m s PRO 797 CO 0.67 -0.40 1.05 -1.54 -0.33 0.00 0.00 177.00 176.45 3d3m s SER 798 N -1.95 5.90 0.36 2.53 1.04 -1.26 -4.86 113.70 115.46 3d3m s SER 798 Ca 0.66 1.41 0.07 0.00 0.48 0.00 0.00 55.95 58.57 3d3m s SER 798 Cb -0.17 -2.38 0.76 0.00 0.10 0.00 0.00 66.02 64.34 3d3m s SER 798 CO 0.20 -1.08 1.92 0.07 0.98 0.00 0.00 173.24 175.33 3d3m h LYS 799 N -0.47 0.72 -0.78 4.02 2.10 -1.99 -1.19 116.57 118.98 3d3m h LYS 799 Ca -0.44 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.14 3d3m h LYS 799 Cb 1.21 -0.16 -0.04 0.00 -0.90 0.00 0.00 32.23 32.34 3d3m h LYS 799 CO 0.61 0.48 0.40 0.93 -2.00 0.00 0.00 179.45 179.87 3d3m h GLU 800 N 0.74 1.11 -0.25 0.07 3.07 -1.99 -1.04 114.58 116.29 3d3m h GLU 800 Ca 0.37 -0.14 -0.10 0.00 -0.50 0.00 0.00 59.36 58.99 3d3m h GLU 800 Cb 0.44 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 28.14 3d3m h GLU 800 CO -0.14 0.83 -0.24 1.96 -1.40 0.00 0.00 179.01 180.02 3d3m h GLN 801 N 1.11 0.60 -0.59 2.33 4.20 -1.67 -0.08 115.11 121.01 3d3m h GLN 801 Ca 0.27 -0.31 0.10 0.00 0.06 0.00 0.00 58.65 58.77 3d3m h GLN 801 Cb 0.07 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.78 3d3m h GLN 801 CO -0.04 0.91 0.17 -0.07 -0.67 0.00 0.00 178.83 179.12 3d3m h LEU 802 N 0.31 0.09 -0.40 1.46 3.38 -1.08 -1.00 115.31 118.08 3d3m h LEU 802 Ca 0.04 0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 3d3m h LEU 802 Cb 0.79 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 3d3m h LEU 802 CO 0.06 0.06 0.00 -0.08 0.09 0.00 0.00 178.44 178.57 3d3m h GLU 803 N 0.31 0.70 -0.82 1.13 4.81 -1.12 -1.56 114.58 118.03 3d3m h GLU 803 Ca 0.31 -0.22 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 3d3m h GLU 803 Cb 0.42 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.69 3d3m h GLU 803 CO -0.36 0.79 0.53 0.37 -0.73 0.00 0.00 179.01 179.61 3d3m h GLN 804 N 0.53 0.99 -0.12 1.92 4.15 -0.71 -1.41 115.11 120.46 3d3m h GLN 804 Ca 0.11 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 3d3m h GLN 804 Cb 0.47 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 27.93 3d3m h GLN 804 CO 0.02 0.66 -0.01 1.49 -1.93 0.00 0.00 178.83 179.05 3d3m h GLU 805 N 1.02 0.22 -0.67 1.69 4.81 -1.08 -0.67 114.58 119.91 3d3m h GLU 805 Ca 0.33 -0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.54 3d3m h GLU 805 Cb 0.01 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.32 3d3m h GLU 805 CO -0.12 0.49 0.38 -0.22 -0.73 0.00 0.00 179.01 178.81 3d3m h LYS 806 N -0.07 0.67 -0.55 1.92 3.64 -1.10 -0.90 116.57 120.18 3d3m h LYS 806 Ca 0.03 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 3d3m h LYS 806 Cb 0.40 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 3d3m h LYS 806 CO 0.01 0.45 0.15 1.96 -2.27 0.00 0.00 179.45 179.75 3d3m h GLN 807 N 0.70 0.87 -0.32 1.90 1.08 -0.90 0.18 115.11 118.62 3d3m h GLN 807 Ca 0.30 -0.20 -0.04 0.00 -1.45 0.00 0.00 58.65 57.26 3d3m h GLN 807 Cb 0.18 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 3d3m h GLN 807 CO -0.18 0.81 0.05 -0.07 -0.95 0.00 0.00 178.83 178.50 3d3m h LEU 808 N 0.78 0.51 -0.94 1.46 3.38 -0.81 -1.64 115.31 118.04 3d3m h LEU 808 Ca 0.17 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3d3m h LEU 808 Cb 0.32 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 3d3m h LEU 808 CO -0.00 0.63 0.58 0.25 0.09 0.00 0.00 178.44 180.00 3d3m h LEU 809 N 0.36 1.12 -0.67 1.67 5.85 -0.93 -2.22 115.31 120.49 3d3m h LEU 809 Ca 0.10 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.78 3d3m h LEU 809 Cb 0.34 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3d3m h LEU 809 CO 0.01 0.85 0.43 0.25 -0.34 0.00 0.00 178.44 179.63 3d3m h LEU 810 N 1.29 0.71 -1.82 2.25 5.85 -0.49 -0.03 115.31 123.08 3d3m h LEU 810 Ca 0.34 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 59.03 3d3m h LEU 810 Cb -0.08 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.79 3d3m h LEU 810 CO -0.07 0.50 -0.13 0.77 -0.34 0.00 0.00 178.44 179.18 3d3m h SER 811 N 0.85 0.00 0.90 1.25 4.64 -0.94 -2.98 113.55 117.28 3d3m h SER 811 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3d3m h SER 811 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3d3m h SER 811 CO -0.09 0.13 -0.73 -0.26 -0.87 0.00 0.00 176.83 175.01 3d3m h PHE 812 N 0.00 0.00 -0.74 4.77 0.04 -0.75 -3.40 116.94 116.85 3d3m h PHE 812 Ca -0.00 0.00 0.17 0.00 2.80 0.00 0.00 57.97 60.94 3d3m h PHE 812 Cb 0.24 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 38.27 3d3m h PHE 812 CO 0.00 0.00 0.11 -0.22 -0.60 0.00 0.00 178.31 177.60 3d3m h LYS 813 N 0.00 0.18 -0.04 1.51 3.64 -0.86 -1.22 116.57 119.78 3d3m h LYS 813 Ca 0.00 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 3d3m h LYS 813 Cb 0.82 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 3d3m h LYS 813 CO 0.00 0.12 -0.26 -1.35 -2.27 0.00 0.00 179.45 175.69 3d3m h PRO 814 N 0.19 0.06 -0.02 1.90 0.11 -1.77 0.21 132.00 132.68 3d3m h PRO 814 Ca 0.42 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.50 3d3m h PRO 814 Cb 0.74 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.84 3d3m h PRO 814 CO -0.58 0.32 -0.01 0.28 -0.21 0.00 0.00 178.00 177.80 3d3m h VAL 815 N 0.06 1.35 -0.42 3.15 2.07 -1.61 -1.50 116.25 119.35 3d3m h VAL 815 Ca 0.01 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.49 3d3m h VAL 815 Cb 0.49 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 3d3m h VAL 815 CO 0.04 0.27 0.26 0.24 0.02 0.00 0.00 177.57 178.40 3d3m h MET 816 N -0.39 0.57 -0.55 1.57 2.86 -0.82 -2.59 114.93 115.57 3d3m h MET 816 Ca 0.00 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3d3m h MET 816 Cb 0.45 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 3d3m h MET 816 CO 0.00 0.41 0.36 1.96 1.06 0.00 0.00 176.91 180.71 3d3m h GLN 817 N 0.56 0.72 -0.64 1.72 4.20 -0.61 -0.62 115.11 120.45 3d3m h GLN 817 Ca 0.15 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.84 3d3m h GLN 817 Cb -0.01 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.57 3d3m h GLN 817 CO -0.03 0.48 0.40 -0.22 -0.67 0.00 0.00 178.83 178.79 3d3m h LYS 818 N 0.75 0.77 0.00 1.46 1.63 -0.86 0.48 116.57 120.79 3d3m h LYS 818 Ca 0.20 -0.05 -0.13 0.00 -0.85 0.00 0.00 60.65 59.82 3d3m h LYS 818 Cb -0.09 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.35 3d3m h LYS 818 CO -0.04 0.51 -0.71 0.74 -3.45 0.00 0.00 179.45 176.49 3d3m h PHE 819 N 0.79 0.00 0.00 1.91 0.04 -1.41 -3.39 116.94 114.88 3d3m h PHE 819 Ca 0.25 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.99 3d3m h PHE 819 Cb -0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3d3m h PHE 819 CO -0.05 0.61 -1.93 1.28 -0.60 0.00 0.00 178.31 177.63 3d3m n LEU 820 N -3.21 0.09 -4.76 1.54 4.77 -0.27 -4.86 117.00 110.31 3d3m n LEU 820 Ca 0.00 0.04 -0.41 0.00 -0.03 0.00 0.00 56.01 55.61 3d3m n LEU 820 Cb 0.79 0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.90 3d3m n LEU 820 CO 0.42 0.02 1.16 -1.38 -1.33 0.00 0.00 177.39 176.28 3d3m s HIS 821 N -3.42 2.78 -0.01 -1.77 -3.43 0.13 -1.27 115.29 108.30 3d3m s HIS 821 Ca -0.07 1.01 0.00 0.00 -0.80 0.00 0.00 55.06 55.20 3d3m s HIS 821 Cb 0.13 -3.97 0.00 0.00 -1.43 0.00 0.00 32.58 27.31 3d3m s HIS 821 CO 0.89 -3.06 0.00 -0.25 -2.00 0.00 0.00 174.74 170.32 3d3m n ASP 822 N 1.52 -4.20 -3.69 7.38 8.00 -1.26 -4.93 116.55 119.37 3d3m n ASP 822 Ca 0.05 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.27 3d3m n ASP 822 Cb 0.39 -1.71 -0.12 0.00 -0.02 0.00 0.00 41.12 39.66 3d3m n ASP 822 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3d3m s HIS 823 N -1.61 2.26 0.25 1.24 3.76 -0.39 -4.96 115.29 115.82 3d3m s HIS 823 Ca 0.00 -2.70 -0.02 0.00 -0.15 0.00 0.00 55.06 52.19 3d3m s HIS 823 Cb 0.00 -1.89 0.29 0.00 1.11 0.00 0.00 32.58 32.09 3d3m s HIS 823 CO 0.00 -0.72 1.69 0.28 -0.85 0.00 0.00 174.74 175.14 3d3m h VAL 824 N 4.80 1.26 -0.05 -0.90 2.07 -1.92 -0.27 116.25 121.25 3d3m h VAL 824 Ca 0.12 -1.24 -0.09 0.00 0.82 0.00 0.00 66.70 66.31 3d3m h VAL 824 Cb 0.87 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 3d3m h VAL 824 CO 0.53 0.41 -0.37 -0.78 0.02 0.00 0.00 177.57 177.38 3d3m h ASP 825 N 0.61 0.09 0.59 0.57 1.82 -1.95 -1.69 116.42 116.46 3d3m h ASP 825 Ca 0.09 -0.03 -0.15 0.00 -0.39 0.00 0.00 57.03 56.55 3d3m h ASP 825 Cb 0.65 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.62 3d3m h ASP 825 CO 0.05 0.46 -0.67 -0.07 -1.61 0.00 0.00 179.24 177.40 3d3m h LEU 826 N 0.08 0.08 -1.15 2.28 3.38 -1.75 -2.21 115.31 116.02 3d3m h LEU 826 Ca 0.01 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3d3m h LEU 826 Cb 0.70 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3d3m h LEU 826 CO 0.05 0.72 -0.02 1.56 0.09 0.00 0.00 178.44 180.85 3d3m h GLN 827 N 0.05 0.57 -0.48 1.13 4.20 -0.44 -0.64 115.11 119.49 3d3m h GLN 827 Ca -0.01 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.51 3d3m h GLN 827 Cb 1.19 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.87 3d3m h GLN 827 CO 0.09 0.61 0.09 0.28 -0.67 0.00 0.00 178.83 179.23 3d3m h VAL 828 N 0.54 1.24 -0.89 -0.54 2.07 -1.16 -0.61 116.25 116.91 3d3m h VAL 828 Ca 0.11 -0.89 0.08 0.00 0.82 0.00 0.00 66.70 66.83 3d3m h VAL 828 Cb 0.38 0.89 -0.07 0.00 -1.52 0.00 0.00 31.29 30.97 3d3m h VAL 828 CO 0.01 0.32 0.54 0.28 0.02 0.00 0.00 177.57 178.74 3d3m h SER 829 N 0.67 0.82 -0.65 0.57 0.02 -0.72 -0.79 113.55 113.46 3d3m h SER 829 Ca 0.15 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.07 3d3m h SER 829 Cb 0.37 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 3d3m h SER 829 CO 0.01 0.49 0.17 0.00 -1.14 0.00 0.00 176.83 176.36 3d3m h ALA 830 N 1.45 1.03 -0.75 3.77 0.00 -0.62 -0.99 119.26 123.15 3d3m h ALA 830 Ca 0.41 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3d3m h ALA 830 Cb 0.29 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3d3m h ALA 830 CO -0.21 0.64 0.28 -0.07 0.00 0.00 0.00 179.25 179.89 3d3m h LEU 831 N 1.01 1.05 -0.70 0.00 3.38 -0.71 -1.40 115.31 117.94 3d3m h LEU 831 Ca 0.21 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3d3m h LEU 831 Cb 0.34 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3d3m h LEU 831 CO -0.00 0.94 0.13 1.88 0.09 0.00 0.00 178.44 181.48 3d3m h TYR 832 N 1.10 1.19 -0.59 1.13 0.05 -0.80 0.17 116.97 119.22 3d3m h TYR 832 Ca 0.25 -0.16 0.12 0.00 0.05 0.00 0.00 58.73 58.99 3d3m h TYR 832 Cb 0.24 -0.33 -0.09 0.00 1.01 0.00 0.00 36.73 37.56 3d3m h TYR 832 CO 0.02 0.98 0.10 0.00 -1.05 0.00 0.00 178.16 178.21 3d3m h ALA 833 N 1.07 0.68 -0.34 3.88 0.00 -0.76 0.06 119.26 123.86 3d3m h ALA 833 Ca 0.21 0.14 -0.15 0.00 0.00 0.00 0.00 54.91 55.11 3d3m h ALA 833 Cb 0.42 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3d3m h ALA 833 CO 0.01 -0.33 -0.39 1.25 0.00 0.00 0.00 179.25 179.78 3d3m h LEU 834 N 0.22 0.87 -0.02 0.00 5.85 -0.89 0.72 115.31 122.06 3d3m h LEU 834 Ca 0.31 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.66 3d3m h LEU 834 Cb 0.48 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 3d3m h LEU 834 CO -0.43 1.16 -0.15 -0.61 -0.34 0.00 0.00 178.44 178.08 3d3m h GLN 835 N 0.67 -0.22 -0.55 1.25 4.15 -0.15 0.20 115.11 120.46 3d3m h GLN 835 Ca 0.05 0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.38 3d3m h GLN 835 Cb 0.96 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.68 3d3m h GLN 835 CO 0.09 -0.15 -0.10 0.28 -1.93 0.00 0.00 178.83 177.02 3d3m h VAL 836 N -0.23 1.27 -0.37 2.39 2.07 -0.85 0.17 116.25 120.69 3d3m h VAL 836 Ca 0.06 -1.26 0.05 0.00 0.82 0.00 0.00 66.70 66.38 3d3m h VAL 836 Cb 0.31 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 3d3m h VAL 836 CO -0.16 0.45 0.09 -0.74 0.02 0.00 0.00 177.57 177.22 3d3m h HIS 837 N 0.92 0.14 -0.44 1.57 -0.00 -0.68 0.48 115.15 117.15 3d3m h HIS 837 Ca 0.14 0.02 -0.13 0.00 -0.00 0.00 0.00 60.37 60.41 3d3m h HIS 837 Cb 0.66 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 28.05 3d3m h HIS 837 CO 0.04 0.03 -0.23 0.00 -0.00 0.00 0.00 177.93 177.77 3d3m h TYR 839 N 0.78 0.27 -0.00 0.00 3.20 -0.10 0.03 116.97 121.14 3d3m h TYR 839 Ca 0.10 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.00 3d3m h TYR 839 Cb 0.81 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.04 3d3m h TYR 839 CO 0.06 0.06 0.08 -0.91 -1.64 0.00 0.00 178.16 175.80 3d3m h ASN 840 N 0.32 0.00 -0.51 -2.11 2.35 0.10 -1.07 115.58 114.66 3d3m h ASN 840 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3d3m h ASN 840 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 3d3m h ASN 840 CO -0.28 0.00 0.00 -1.20 -1.65 0.00 0.00 177.43 174.30 3d3m n SER 841 N -3.07 4.37 -2.62 5.81 7.64 -0.55 -4.98 113.62 120.22 3d3m n SER 841 Ca -0.03 -2.54 -0.20 0.00 1.01 0.00 0.00 58.87 57.12 3d3m n SER 841 Cb 0.14 -0.52 0.03 0.00 -1.01 0.00 0.00 64.21 62.85 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 0.63 -5.57 -3.71 6.43 5.15 -0.41 -3.95 115.26 113.83 3d3m n ASN 842 Ca 0.23 -0.23 -0.29 0.00 -0.60 0.00 0.00 54.58 53.68 3d3m n ASN 842 Cb 0.84 -4.42 0.02 0.00 -0.53 0.00 0.00 39.78 35.70 3d3m n ASN 842 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3d3m n PHE 843 N -4.34 -1.97 -1.62 1.20 3.72 -0.11 -4.88 117.46 109.46 3d3m n PHE 843 Ca -0.11 0.55 -0.42 0.00 -0.05 0.00 0.00 57.45 57.42 3d3m n PHE 843 Cb 0.61 -3.22 0.00 0.00 -0.94 0.00 0.00 39.48 35.93 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 -3.69 1.48 -1.65 -1.08 -0.02 -1.25 -4.75 135.00 124.04 3d3m n PRO 844 Ca -0.14 0.53 -0.53 0.00 -2.02 0.00 0.00 63.50 61.33 3d3m n PRO 844 Cb 0.60 -2.06 -0.06 0.00 -0.02 0.00 0.00 33.50 31.96 3d3m n PRO 844 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3d3m n LYS 845 N 0.30 1.33 -0.09 -0.52 0.00 -1.26 -1.46 118.16 116.46 3d3m n LYS 845 Ca 0.09 0.48 0.00 0.00 0.00 0.00 0.00 58.31 58.88 3d3m n LYS 845 Cb 0.37 -2.17 0.00 0.00 0.00 0.00 0.00 35.03 33.24 3d3m n LYS 845 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3d3m n GLY 846 N 3.40 1.69 0.06 3.14 0.00 -1.26 -4.85 105.19 107.36 3d3m n GLY 846 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 1.28 -0.04 -0.19 1.61 4.05 -1.58 -0.42 114.93 119.63 3d3m h MET 847 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 3d3m h MET 847 Cb 0.00 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.80 3d3m h MET 847 CO 0.00 0.14 0.12 1.25 0.23 0.00 0.00 176.91 178.65 3d3m h LEU 848 N -0.21 0.20 -0.61 3.39 5.85 -1.90 -2.02 115.31 120.01 3d3m h LEU 848 Ca -0.00 -0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.56 3d3m h LEU 848 Cb 0.20 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3d3m h LEU 848 CO 0.01 0.15 -0.55 0.25 -0.34 0.00 0.00 178.44 177.96 3d3m h LEU 849 N 0.25 0.47 -1.19 2.25 5.85 -1.84 -0.84 115.31 120.25 3d3m h LEU 849 Ca 0.07 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.55 3d3m h LEU 849 Cb -0.02 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 3d3m h LEU 849 CO -0.02 0.92 0.55 -0.09 -0.34 0.00 0.00 178.44 179.46 3d3m h ARG 850 N 0.33 1.08 -0.41 1.25 2.43 -0.93 0.41 114.38 118.54 3d3m h ARG 850 Ca 0.01 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 58.96 3d3m h ARG 850 Cb 1.06 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 3d3m h ARG 850 CO 0.10 0.72 -0.33 0.74 -1.51 0.00 0.00 179.97 179.69 3d3m h PHE 851 N 1.12 1.09 -0.63 2.20 0.04 -0.95 -0.96 116.94 118.84 3d3m h PHE 851 Ca 0.30 -0.30 0.04 0.00 2.80 0.00 0.00 57.97 60.82 3d3m h PHE 851 Cb -0.12 -0.24 -0.05 0.00 2.20 0.00 0.00 35.95 37.74 3d3m h PHE 851 CO -0.00 1.12 0.36 0.74 -0.60 0.00 0.00 178.31 179.93 3d3m h PHE 852 N 0.77 0.68 -0.30 -0.55 -1.00 -0.41 0.34 116.94 116.48 3d3m h PHE 852 Ca 0.08 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.88 3d3m h PHE 852 Cb 0.91 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 40.24 3d3m h PHE 852 CO 0.06 0.35 0.18 0.28 -1.61 0.00 0.00 178.31 177.56 3d3m h VAL 853 N 0.70 1.11 -0.12 -0.55 2.07 -0.90 0.90 116.25 119.46 3d3m h VAL 853 Ca 0.27 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.56 3d3m h VAL 853 Cb 0.11 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 3d3m h VAL 853 CO -0.15 0.11 -0.20 0.45 0.02 0.00 0.00 177.57 177.81 3d3m h HIS 854 N 0.38 -0.52 -0.31 1.57 3.86 -0.90 0.06 115.15 119.28 3d3m h HIS 854 Ca 0.11 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.28 3d3m h HIS 854 Cb 0.03 0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.73 3d3m h HIS 854 CO -0.04 -0.28 -0.07 0.74 0.86 0.00 0.00 177.93 179.14 3d3m h PHE 855 N -0.26 0.53 0.05 2.45 -1.00 -0.65 0.78 116.94 118.84 3d3m h PHE 855 Ca 0.10 -0.07 -0.00 0.00 2.81 0.00 0.00 57.97 60.81 3d3m h PHE 855 Cb 0.40 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 39.81 3d3m h PHE 855 CO -0.30 0.57 -0.02 -0.92 -1.61 0.00 0.00 178.31 176.02 3d3m h TYR 856 N 0.47 -0.06 -0.20 -0.55 3.20 -0.66 -1.49 116.97 117.68 3d3m h TYR 856 Ca 0.09 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 3d3m h TYR 856 Cb 0.42 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 3d3m h TYR 856 CO 0.01 0.49 -0.06 -0.44 -1.64 0.00 0.00 178.16 176.52 3d3m h ASP 857 N -0.68 0.29 0.19 -2.11 3.32 -0.88 -1.86 116.42 114.69 3d3m h ASP 857 Ca -0.01 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3d3m h ASP 857 Cb 0.58 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3d3m h ASP 857 CO 0.01 0.39 -0.04 0.23 -1.72 0.00 0.00 179.24 178.11 3d3m n MET 858 N -4.31 0.93 -3.11 3.56 2.81 0.26 -4.91 117.12 112.35 3d3m n MET 858 Ca -0.00 -0.24 -0.23 0.00 -1.81 0.00 0.00 57.70 55.42 3d3m n MET 858 Cb 0.23 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.29 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 -0.83 -5.43 0.08 0.03 1.02 -0.70 -4.90 120.64 109.91 3d3m n GLU 859 Ca 0.19 0.90 -0.21 0.00 -0.02 0.00 0.00 57.16 58.02 3d3m n GLU 859 Cb 0.22 -5.80 -0.15 0.00 -0.02 0.00 0.00 31.44 25.70 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 -1.62 1.03 -3.39 -3.67 2.04 -1.53 -3.47 117.51 106.91 3d3m h ILE 860 Ca -0.54 -2.61 -0.56 0.00 1.00 0.00 0.00 64.86 62.16 3d3m h ILE 860 Cb 1.37 2.79 -0.33 0.00 -0.74 0.00 0.00 36.82 39.90 3d3m h ILE 860 CO 0.57 0.84 -0.83 -0.63 0.00 0.00 0.00 178.15 178.10 3d3m s ILE 861 N -2.59 1.36 0.44 -0.67 -1.09 -0.94 -4.84 121.20 112.86 3d3m s ILE 861 Ca -0.13 -0.60 -0.10 0.00 -2.23 0.00 0.00 60.65 57.58 3d3m s ILE 861 Cb 0.06 -1.22 -0.06 0.00 -1.58 0.00 0.00 42.46 39.66 3d3m s ILE 861 CO 0.86 0.41 0.80 -1.61 -1.23 0.00 0.00 174.94 174.17 3d3m s GLU 862 N 0.64 3.74 0.27 2.79 2.02 -1.26 -4.35 118.70 122.55 3d3m s GLU 862 Ca -0.15 0.47 -0.03 0.00 0.02 0.00 0.00 54.97 55.28 3d3m s GLU 862 Cb -0.16 -2.36 0.57 0.00 0.10 0.00 0.00 34.13 32.29 3d3m s GLU 862 CO 0.04 -0.11 1.61 1.49 0.02 0.00 0.00 175.26 178.31 3d3m h GLU 863 N 0.99 0.07 -0.89 1.61 4.81 -1.99 -1.40 114.58 117.78 3d3m h GLU 863 Ca -0.47 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 58.84 3d3m h GLU 863 Cb 1.19 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.49 3d3m h GLU 863 CO 0.63 0.05 0.58 0.93 -0.73 0.00 0.00 179.01 180.46 3d3m h GLU 864 N 0.07 0.91 -0.33 1.92 3.07 -1.99 -2.05 114.58 116.17 3d3m h GLU 864 Ca 0.50 -0.05 -0.16 0.00 -0.50 0.00 0.00 59.36 59.14 3d3m h GLU 864 Cb 0.94 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.63 3d3m h GLU 864 CO -0.79 0.60 -0.43 0.00 -1.40 0.00 0.00 179.01 177.00 3d3m h ALA 865 N 1.54 0.60 -0.50 3.43 0.00 -1.57 0.14 119.26 122.90 3d3m h ALA 865 Ca 0.40 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3d3m h ALA 865 Cb 0.31 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3d3m h ALA 865 CO -0.16 0.68 0.28 0.74 0.00 0.00 0.00 179.25 180.78 3d3m h PHE 866 N 0.69 0.52 -0.07 0.00 0.04 -1.01 -0.44 116.94 116.66 3d3m h PHE 866 Ca 0.05 0.02 -0.15 0.00 2.80 0.00 0.00 57.97 60.68 3d3m h PHE 866 Cb 1.01 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.99 3d3m h PHE 866 CO 0.06 0.28 -0.64 -0.07 -0.60 0.00 0.00 178.31 177.34 3d3m h LEU 867 N 0.55 0.30 -0.76 1.54 3.38 -1.20 -1.40 115.31 117.72 3d3m h LEU 867 Ca 0.21 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3d3m h LEU 867 Cb 0.07 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3d3m h LEU 867 CO -0.12 0.86 0.29 0.00 0.09 0.00 0.00 178.44 179.56 3d3m h ALA 868 N 1.14 0.99 -0.23 1.53 0.00 -0.50 -1.89 119.26 120.30 3d3m h ALA 868 Ca -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3d3m h ALA 868 Cb 1.16 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3d3m h ALA 868 CO 0.10 0.62 0.12 2.35 0.00 0.00 0.00 179.25 182.44 3d3m h TRP 869 N 1.10 0.32 -0.38 0.00 7.01 -0.89 -1.18 115.95 121.93 3d3m h TRP 869 Ca 0.25 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.31 3d3m h TRP 869 Cb 0.23 -0.10 -0.07 0.00 -2.10 0.00 0.00 29.16 27.12 3d3m h TRP 869 CO 0.02 0.30 -0.06 -0.22 -2.79 0.00 0.00 178.44 175.69 3d3m h LYS 870 N 0.25 0.04 -0.01 2.65 3.64 -0.99 -2.80 116.57 119.35 3d3m h LYS 870 Ca 0.08 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3d3m h LYS 870 Cb 0.09 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3d3m h LYS 870 CO -0.01 0.02 -0.13 0.39 -2.27 0.00 0.00 179.45 177.46 3d3m n GLU 871 N -5.25 0.96 -2.25 1.90 -0.58 -0.73 -4.91 120.64 109.77 3d3m n GLU 871 Ca 0.02 -0.45 -0.42 0.00 -0.42 0.00 0.00 57.16 55.89 3d3m n GLU 871 Cb 0.21 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.56 3d3m n GLU 871 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3d3m s ASP 872 N -2.35 6.90 -0.16 1.62 2.15 -0.46 -4.92 116.67 119.45 3d3m s ASP 872 Ca 0.31 2.21 0.13 0.00 0.43 0.00 0.00 52.55 55.63 3d3m s ASP 872 Cb 0.20 -2.58 -0.19 0.00 -0.30 0.00 0.00 42.92 40.05 3d3m s ASP 872 CO 0.45 -0.61 0.04 0.00 -0.17 0.00 0.00 175.17 174.88 3d3m n ILE 873 N 4.05 1.09 0.28 4.11 0.13 -1.26 -4.72 119.36 123.04 3d3m n ILE 873 Ca 0.11 -0.66 0.17 0.00 -1.10 0.00 0.00 62.75 61.27 3d3m n ILE 873 Cb 0.44 -0.62 0.93 0.00 -0.84 0.00 0.00 39.64 39.54 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 0.43 -2.19 9.51 1.35 -1.99 -3.42 112.91 116.60 3d3m h THR 874 Ca -0.43 0.00 -0.45 0.00 -0.55 0.00 0.00 66.41 64.98 3d3m h THR 874 Cb 1.96 0.94 0.01 0.00 -1.73 0.00 0.00 68.15 69.33 3d3m h THR 874 CO 0.02 0.00 -0.28 -1.10 -0.25 0.00 0.00 175.52 173.91 3d3m s GLN 875 N -4.56 3.19 -0.35 4.72 -1.52 -1.26 -5.06 119.66 114.81 3d3m s GLN 875 Ca -0.05 -0.78 0.03 0.00 -1.95 0.00 0.00 55.36 52.61 3d3m s GLN 875 Cb 0.15 -2.75 0.16 0.00 -0.22 0.00 0.00 33.01 30.34 3d3m s GLN 875 CO 0.52 0.04 0.41 -1.83 -0.25 0.00 0.00 175.29 174.18 3d3m s GLU 876 N -4.25 0.60 0.21 2.91 -1.05 -1.26 -5.11 118.70 110.74 3d3m s GLU 876 Ca 0.44 -0.54 0.10 0.00 -0.15 0.00 0.00 54.97 54.82 3d3m s GLU 876 Cb -0.10 -0.53 -0.05 0.00 -0.44 0.00 0.00 34.13 33.02 3d3m s GLU 876 CO 0.33 -1.15 -0.20 -0.06 0.95 0.00 0.00 175.26 175.12 3d3m s PHE 877 N 1.77 2.08 0.62 4.83 0.08 -1.26 -5.14 117.98 120.96 3d3m s PHE 877 Ca 0.15 -0.41 -0.11 0.00 0.12 0.00 0.00 56.93 56.68 3d3m s PHE 877 Cb -0.13 -0.99 -0.04 0.00 -0.57 0.00 0.00 43.02 41.29 3d3m s PHE 877 CO -0.11 0.49 1.03 -1.25 -0.10 0.00 0.00 175.22 175.27 3d3m s PRO 878 N -3.02 3.58 0.00 0.24 0.04 -1.26 -4.33 135.00 130.25 3d3m s PRO 878 Ca 0.22 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.01 3d3m s PRO 878 Cb -0.06 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3d3m s PRO 878 CO 0.10 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 176.97 3d3m n GLY 879 N -2.74 0.79 0.29 0.56 0.00 -1.26 -4.57 105.19 98.25 3d3m n GLY 879 Ca 0.06 -0.04 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 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 2.54 0.85 -0.29 1.61 1.63 -1.95 -0.69 116.57 120.26 3d3m h LYS 880 Ca 0.00 -0.26 -0.06 0.00 -0.85 0.00 0.00 60.65 59.48 3d3m h LYS 880 Cb 0.00 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.54 3d3m h LYS 880 CO 0.00 0.88 -0.05 0.78 -3.45 0.00 0.00 179.45 177.61 3d3m h GLY 881 N 0.98 0.59 1.60 5.01 0.00 -1.95 -1.08 103.07 108.22 3d3m h GLY 881 Ca 0.14 -0.47 -0.16 0.00 0.00 0.00 0.00 47.33 46.84 3d3m h GLY 881 CO 0.03 0.43 -0.60 0.50 0.00 0.00 0.00 176.54 176.91 3d3m h LYS 882 N 0.31 0.41 0.39 4.80 1.57 -1.96 -1.05 116.57 121.04 3d3m h LYS 882 Ca 0.07 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 3d3m h LYS 882 Cb 0.52 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 3d3m h LYS 882 CO 0.03 0.89 -0.24 0.00 -0.57 0.00 0.00 179.45 179.55 3d3m h ALA 883 N 1.05 -0.59 -0.77 3.86 0.00 -1.01 -2.56 119.26 119.24 3d3m h ALA 883 Ca -0.00 -0.12 0.15 0.00 0.00 0.00 0.00 54.91 54.94 3d3m h ALA 883 Cb 1.13 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 19.11 3d3m h ALA 883 CO 0.10 -0.85 0.30 -0.07 0.00 0.00 0.00 179.25 178.74 3d3m h LEU 884 N -0.60 0.25 -0.87 0.00 3.38 -1.09 -2.04 115.31 114.34 3d3m h LEU 884 Ca -0.04 0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.10 3d3m h LEU 884 Cb 0.49 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 3d3m h LEU 884 CO 0.05 0.07 0.55 0.15 0.09 0.00 0.00 178.44 179.35 3d3m h PHE 885 N 0.42 1.03 0.00 1.13 3.57 -0.95 0.24 116.94 122.38 3d3m h PHE 885 Ca 0.43 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.84 3d3m h PHE 885 Cb 0.70 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 3d3m h PHE 885 CO -0.18 0.55 -0.58 1.96 -2.23 0.00 0.00 178.31 177.83 3d3m h GLN 886 N 1.03 0.00 -0.01 1.11 4.20 -0.98 -3.35 115.11 117.10 3d3m h GLN 886 Ca 0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.08 3d3m h GLN 886 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3d3m h GLN 886 CO -0.15 0.58 -0.05 1.33 -0.67 0.00 0.00 178.83 179.86 3d3m n VAL 887 N -3.49 0.00 -0.26 -0.54 0.24 -0.87 -4.78 118.33 108.63 3d3m n VAL 887 Ca 0.00 -0.47 0.06 0.00 -2.04 0.00 0.00 64.34 61.88 3d3m n VAL 887 Cb 0.67 1.20 0.19 0.00 -1.47 0.00 0.00 33.84 34.42 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 1.86 0.31 -0.66 -1.34 2.35 -0.66 0.38 115.58 117.81 3d3m h ASN 888 Ca 0.00 0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 3d3m h ASN 888 Cb 0.42 0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.84 3d3m h ASN 888 CO 0.00 0.11 0.34 -0.61 -1.65 0.00 0.00 177.43 175.63 3d3m h GLN 889 N 0.46 0.96 -0.13 0.81 4.15 -1.86 0.30 115.11 119.81 3d3m h GLN 889 Ca 0.42 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.70 3d3m h GLN 889 Cb 0.64 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 28.14 3d3m h GLN 889 CO -0.40 0.73 -0.00 2.35 -1.93 0.00 0.00 178.83 179.58 3d3m h TRP 890 N 0.96 0.25 -0.86 3.99 7.01 -1.63 -1.58 115.95 124.09 3d3m h TRP 890 Ca 0.24 -0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.17 3d3m h TRP 890 Cb 0.07 -0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.03 3d3m h TRP 890 CO 0.01 0.47 0.45 -0.07 -2.79 0.00 0.00 178.44 176.51 3d3m h LEU 891 N -0.05 1.09 -0.58 0.65 3.38 -0.80 -1.95 115.31 117.05 3d3m h LEU 891 Ca 0.03 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3d3m h LEU 891 Cb 0.38 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3d3m h LEU 891 CO 0.01 0.89 0.15 0.74 0.09 0.00 0.00 178.44 180.31 3d3m h THR 892 N 1.21 1.25 -0.71 0.22 2.02 -0.79 0.09 112.91 116.20 3d3m h THR 892 Ca 0.30 -0.88 0.03 0.00 0.77 0.00 0.00 66.41 66.62 3d3m h THR 892 Cb 0.06 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 3d3m h THR 892 CO -0.04 0.33 0.44 -0.25 0.37 0.00 0.00 175.52 176.37 3d3m h TRP 893 N 0.83 0.83 -0.45 3.16 2.91 -0.99 0.84 115.95 123.09 3d3m h TRP 893 Ca 0.18 0.02 0.05 0.00 1.13 0.00 0.00 58.89 60.27 3d3m h TRP 893 Cb 0.34 -0.27 -0.04 0.00 -0.51 0.00 0.00 29.16 28.67 3d3m h TRP 893 CO 0.02 0.48 0.20 1.25 -1.03 0.00 0.00 178.44 179.36 3d3m h LEU 894 N 0.87 0.26 -0.65 0.65 5.85 -0.95 -2.66 115.31 118.68 3d3m h LEU 894 Ca 0.28 0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.90 3d3m h LEU 894 Cb 0.01 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3d3m h LEU 894 CO -0.10 0.19 -0.48 -0.08 -0.34 0.00 0.00 178.44 177.62 3d3m h GLU 895 N 0.40 0.47 0.00 1.25 4.57 -0.66 -3.47 114.58 117.14 3d3m h GLU 895 Ca 0.20 -0.27 -0.58 0.00 -1.18 0.00 0.00 59.36 57.54 3d3m h GLU 895 Cb 0.15 0.02 -0.12 0.00 -0.16 0.00 0.00 28.75 28.63 3d3m h GLU 895 CO -0.17 0.85 -0.47 0.25 -1.18 0.00 0.00 179.01 178.29 3d3m n THR 896 N -3.98 0.00 0.92 0.32 -2.24 0.26 -5.09 114.28 104.47 3d3m n THR 896 Ca -0.02 -2.39 0.11 0.00 -2.27 0.00 0.00 64.05 59.47 3d3m n THR 896 Cb 0.56 0.78 0.09 0.00 -2.10 0.00 0.00 70.33 69.66 3d3m n THR 896 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50