#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x5y n LYS 727 N 0.00 0.28 -4.08 1.64 5.02 -1.26 -4.94 118.16 114.82 2x5y n LYS 727 Ca 0.00 -0.15 -0.10 0.00 -2.02 0.00 0.00 58.31 56.04 2x5y n LYS 727 Cb 0.00 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.42 2x5y n LYS 727 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2x5y s TYR 728 N -2.83 0.68 0.00 2.13 -0.85 -1.26 -4.14 117.35 111.08 2x5y s TYR 728 Ca 0.16 -1.06 0.04 0.00 -0.52 0.00 0.00 57.07 55.69 2x5y s TYR 728 Cb 0.18 -0.33 -0.01 0.00 0.38 0.00 0.00 41.96 42.18 2x5y s TYR 728 CO 0.63 -0.58 -0.12 0.21 -1.52 0.00 0.00 175.55 174.17 2x5y s LYS 729 N -4.01 0.92 -0.09 -3.49 2.20 -0.09 -4.99 119.74 110.19 2x5y s LYS 729 Ca 0.21 -0.49 -0.01 0.00 -0.36 0.00 0.00 55.97 55.32 2x5y s LYS 729 Cb 0.06 -0.89 -0.03 0.00 -1.51 0.00 0.00 37.83 35.46 2x5y s LYS 729 CO 0.01 0.24 -0.03 -0.51 -0.36 0.00 0.00 175.35 174.69 2x5y s LEU 730 N -0.48 3.38 -0.06 5.43 1.43 -1.26 -0.91 118.68 126.21 2x5y s LEU 730 Ca 0.03 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 2x5y s LEU 730 Cb -0.05 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.43 2x5y s LEU 730 CO -0.00 0.34 -0.04 -0.44 0.23 0.00 0.00 176.35 176.45 2x5y s SER 731 N -0.69 1.32 0.31 2.29 0.01 -0.22 -4.94 113.70 111.79 2x5y s SER 731 Ca 0.11 -0.14 -0.29 0.00 1.31 0.00 0.00 55.95 56.93 2x5y s SER 731 Cb -0.12 -0.50 -0.11 0.00 0.21 0.00 0.00 66.02 65.50 2x5y s SER 731 CO 0.02 -0.10 1.48 -0.70 0.41 0.00 0.00 173.24 174.34 2x5y s GLU 732 N 1.33 4.19 -0.19 12.44 2.12 -1.26 -0.49 118.70 136.84 2x5y s GLU 732 Ca -0.04 2.45 -0.07 0.00 0.36 0.00 0.00 54.97 57.66 2x5y s GLU 732 Cb -0.14 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 31.18 2x5y s GLU 732 CO -0.02 -0.48 0.07 0.42 -0.54 0.00 0.00 175.26 174.71 2x5y s ILE 733 N -0.52 4.73 0.48 -3.70 1.01 -0.08 -4.88 121.20 118.24 2x5y s ILE 733 Ca 0.57 -0.05 -0.23 0.00 0.00 0.00 0.00 60.65 60.93 2x5y s ILE 733 Cb -0.45 -3.15 -0.07 0.00 0.01 0.00 0.00 42.46 38.81 2x5y s ILE 733 CO 0.52 0.44 1.32 -2.28 0.00 0.00 0.00 174.94 174.93 2x5y s HIS 734 N 0.58 2.54 -0.68 3.97 5.65 -1.26 -4.55 115.29 121.55 2x5y s HIS 734 Ca 0.03 1.40 0.15 0.00 0.25 0.00 0.00 55.06 56.89 2x5y s HIS 734 Cb -0.13 -3.70 0.71 0.00 -1.18 0.00 0.00 32.58 28.27 2x5y s HIS 734 CO 0.01 -2.45 1.47 -2.39 -0.65 0.00 0.00 174.74 170.74 2x5y n HIS 735 N -0.55 0.39 0.76 3.88 1.44 -1.26 -1.25 115.22 118.63 2x5y n HIS 735 Ca 0.08 0.18 0.10 0.00 -2.01 0.00 0.00 57.72 56.06 2x5y n HIS 735 Cb 0.45 -0.78 0.10 0.00 0.12 0.00 0.00 29.99 29.88 2x5y n HIS 735 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2x5y n LEU 736 N -1.88 2.81 -4.77 2.39 4.77 -1.26 -4.55 117.00 114.51 2x5y n LEU 736 Ca 0.01 -1.08 -0.39 0.00 -0.03 0.00 0.00 56.01 54.52 2x5y n LEU 736 Cb 0.12 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 2x5y n LEU 736 CO 0.11 0.50 0.76 -2.28 -1.33 0.00 0.00 177.39 175.16 2x5y s HIS 737 N -1.66 3.49 0.50 -1.77 2.46 -0.38 -4.91 115.29 113.00 2x5y s HIS 737 Ca 0.26 1.69 0.16 0.00 0.47 0.00 0.00 55.06 57.64 2x5y s HIS 737 Cb 0.18 -3.20 1.21 0.00 -0.13 0.00 0.00 32.58 30.63 2x5y s HIS 737 CO 0.26 -0.51 2.09 -1.00 -2.47 0.00 0.00 174.74 173.11 2x5y h PRO 738 N 3.32 0.12 -0.50 2.88 0.13 -1.92 -1.28 132.00 134.75 2x5y h PRO 738 Ca -0.47 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 64.53 2x5y h PRO 738 Cb 1.21 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2x5y h PRO 738 CO 0.65 0.08 -0.15 1.49 -0.23 0.00 0.00 178.00 179.84 2x5y h GLU 739 N 0.13 0.98 -0.39 0.86 4.81 -1.92 -1.64 114.58 117.40 2x5y h GLU 739 Ca 0.10 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 2x5y h GLU 739 Cb 0.24 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 2x5y h GLU 739 CO -0.01 1.06 0.26 -0.92 -0.73 0.00 0.00 179.01 178.67 2x5y h TYR 740 N 0.84 0.49 -0.57 0.92 3.20 -1.51 -2.31 116.97 118.03 2x5y h TYR 740 Ca 0.12 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.04 2x5y h TYR 740 Cb 0.72 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.78 2x5y h TYR 740 CO 0.05 0.31 0.32 0.28 -1.64 0.00 0.00 178.16 177.48 2x5y h VAL 741 N 0.53 1.02 -0.13 1.81 2.07 -1.07 0.97 116.25 121.46 2x5y h VAL 741 Ca 0.14 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 2x5y h VAL 741 Cb -0.06 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 2x5y h VAL 741 CO -0.03 0.12 0.06 0.03 0.02 0.00 0.00 177.57 177.76 2x5y h ARG 742 N 0.63 0.18 -0.44 1.57 3.08 -1.16 -0.74 114.38 117.51 2x5y h ARG 742 Ca 0.24 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.25 2x5y h ARG 742 Cb 0.08 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 2x5y h ARG 742 CO -0.13 0.24 0.21 0.28 -1.07 0.00 0.00 179.97 179.51 2x5y h VAL 743 N 0.07 1.18 -0.53 2.04 2.07 -1.01 -1.92 116.25 118.15 2x5y h VAL 743 Ca 0.04 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.07 2x5y h VAL 743 Cb 0.12 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 2x5y h VAL 743 CO -0.01 0.20 0.32 -1.28 0.02 0.00 0.00 177.57 176.82 2x5y h SER 744 N 0.57 0.52 -0.83 0.57 0.87 -0.70 -1.09 113.55 113.46 2x5y h SER 744 Ca 0.15 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 2x5y h SER 744 Cb 0.12 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 61.93 2x5y h SER 744 CO -0.02 0.37 0.48 -0.33 -0.53 0.00 0.00 176.83 176.80 2x5y h GLU 745 N 0.64 1.14 -0.15 2.24 5.08 -0.91 0.11 114.58 122.73 2x5y h GLU 745 Ca 0.21 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2x5y h GLU 745 Cb 0.01 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 2x5y h GLU 745 CO -0.09 0.82 0.06 1.25 -1.00 0.00 0.00 179.01 180.05 2x5y h HIS 746 N 1.15 0.22 0.12 4.33 2.76 -0.95 -1.31 115.15 121.46 2x5y h HIS 746 Ca 0.30 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.45 2x5y h HIS 746 Cb -0.01 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 2x5y h HIS 746 CO 0.00 0.29 -0.10 0.35 -1.30 0.00 0.00 177.93 177.17 2x5y h PHE 747 N 0.09 -0.25 0.00 5.26 3.57 -0.93 -3.01 116.94 121.66 2x5y h PHE 747 Ca 0.05 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2x5y h PHE 747 Cb 0.16 0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.99 2x5y h PHE 747 CO -0.02 -0.15 0.00 1.63 -2.23 0.00 0.00 178.31 177.54 2x5y n LYS 748 N -5.21 0.09 -0.24 1.11 4.76 0.36 -1.65 118.16 117.38 2x5y n LYS 748 Ca -0.08 0.33 0.11 0.00 -2.87 0.00 0.00 58.31 55.80 2x5y n LYS 748 Cb 0.14 -1.67 0.39 0.00 -1.84 0.00 0.00 35.03 32.04 2x5y n LYS 748 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2x5y h ALA 749 N 2.40 1.84 0.00 7.82 0.00 -1.09 -3.17 119.26 127.05 2x5y h ALA 749 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2x5y h ALA 749 Cb 0.31 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2x5y h ALA 749 CO 0.00 -0.04 -1.03 -1.13 0.00 0.00 0.00 179.25 177.04 2x5y n SER 750 N -4.53 2.95 -4.28 0.00 3.41 -1.06 -4.88 113.62 105.22 2x5y n SER 750 Ca 0.15 -0.14 -0.44 0.00 -0.26 0.00 0.00 58.87 58.18 2x5y n SER 750 Cb 0.42 1.20 -0.01 0.00 -0.26 0.00 0.00 64.21 65.56 2x5y n SER 750 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2x5y n MET 751 N -1.57 3.54 -0.03 4.33 2.00 -0.66 -4.63 117.12 120.10 2x5y n MET 751 Ca -0.01 -4.47 -0.15 0.00 0.00 0.00 0.00 57.70 53.07 2x5y n MET 751 Cb 0.13 -2.53 -0.10 0.00 0.00 0.00 0.00 33.22 30.72 2x5y n MET 751 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 2x5y h LYS 752 N 6.46 0.29 -1.43 0.03 1.79 -1.88 -3.31 116.57 118.51 2x5y h LYS 752 Ca 0.18 -0.24 -0.32 0.00 -2.18 0.00 0.00 60.65 58.09 2x5y h LYS 752 Cb 0.84 0.05 -0.14 0.00 -1.58 0.00 0.00 32.23 31.40 2x5y h LYS 752 CO 1.03 0.89 0.41 0.09 -1.08 0.00 0.00 179.45 180.79 2x5y n ASN 753 N -4.46 6.00 -3.96 0.86 3.02 -1.26 -4.90 115.26 110.56 2x5y n ASN 753 Ca -0.09 -3.03 -0.09 0.00 -0.03 0.00 0.00 54.58 51.34 2x5y n ASN 753 Cb 0.49 -1.00 -0.11 0.00 -0.61 0.00 0.00 39.78 38.56 2x5y n ASN 753 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2x5y s PHE 754 N -1.82 0.21 0.06 3.10 0.08 -1.25 -0.82 117.98 117.54 2x5y s PHE 754 Ca 0.31 -0.44 0.08 0.00 0.12 0.00 0.00 56.93 57.00 2x5y s PHE 754 Cb 0.25 -0.16 -0.03 0.00 -0.57 0.00 0.00 43.02 42.50 2x5y s PHE 754 CO 0.00 -0.22 -0.21 -1.59 -0.10 0.00 0.00 175.22 173.11 2x5y s LYS 755 N -1.47 1.91 -0.15 0.44 -2.85 0.54 -4.72 119.74 113.44 2x5y s LYS 755 Ca -0.15 -1.07 -0.20 0.00 -1.00 0.00 0.00 55.97 53.54 2x5y s LYS 755 Cb -0.09 -2.10 -0.03 0.00 -2.06 0.00 0.00 37.83 33.54 2x5y s LYS 755 CO -0.00 0.52 0.58 0.42 0.10 0.00 0.00 175.35 176.96 2x5y s ILE 756 N -0.94 5.09 -0.05 3.79 1.01 -1.26 -1.12 121.20 127.71 2x5y s ILE 756 Ca 0.14 1.12 -0.03 0.00 0.00 0.00 0.00 60.65 61.88 2x5y s ILE 756 Cb -0.10 -3.90 -0.27 0.00 0.01 0.00 0.00 42.46 38.19 2x5y s ILE 756 CO 0.05 0.21 0.65 -0.33 0.00 0.00 0.00 174.94 175.52 2x5y h GLU 757 N 7.13 0.23 -1.82 2.79 4.39 -0.85 -3.48 114.58 122.98 2x5y h GLU 757 Ca -0.36 -0.40 -0.00 0.00 0.34 0.00 0.00 59.36 58.94 2x5y h GLU 757 Cb 1.16 0.15 -0.21 0.00 -0.10 0.00 0.00 28.75 29.75 2x5y h GLU 757 CO 0.76 1.07 0.33 0.21 -1.16 0.00 0.00 179.01 180.22 2x5y s LYS 758 N -2.59 0.84 -0.10 2.33 2.20 -1.12 -4.99 119.74 116.32 2x5y s LYS 758 Ca -0.13 0.29 0.02 0.00 -0.36 0.00 0.00 55.97 55.79 2x5y s LYS 758 Cb 0.07 0.40 0.01 0.00 -1.51 0.00 0.00 37.83 36.80 2x5y s LYS 758 CO 0.82 -0.24 -0.14 0.42 -0.36 0.00 0.00 175.35 175.85 2x5y s ILE 759 N -0.95 1.41 -0.02 5.43 1.01 -1.26 -1.18 121.20 125.63 2x5y s ILE 759 Ca -0.06 -0.60 0.05 0.00 0.00 0.00 0.00 60.65 60.04 2x5y s ILE 759 Cb -0.01 -1.29 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 2x5y s ILE 759 CO 0.05 0.42 -0.16 -0.54 0.00 0.00 0.00 174.94 174.72 2x5y s LYS 760 N 0.91 2.35 -0.07 2.79 1.02 -0.27 -0.91 119.74 125.57 2x5y s LYS 760 Ca -0.09 -0.80 -0.12 0.00 0.02 0.00 0.00 55.97 54.98 2x5y s LYS 760 Cb -0.15 -2.30 -0.05 0.00 -0.52 0.00 0.00 37.83 34.81 2x5y s LYS 760 CO 0.00 0.59 0.31 0.21 -0.92 0.00 0.00 175.35 175.54 2x5y s LYS 761 N -0.99 3.85 -0.17 1.68 2.20 0.36 -0.86 119.74 125.82 2x5y s LYS 761 Ca 0.13 0.19 -0.10 0.00 -0.36 0.00 0.00 55.97 55.83 2x5y s LYS 761 Cb -0.11 -3.26 -0.05 0.00 -1.51 0.00 0.00 37.83 32.91 2x5y s LYS 761 CO 0.02 0.62 0.16 0.42 -0.36 0.00 0.00 175.35 176.21 2x5y s ILE 762 N -0.72 5.42 -0.14 5.43 1.01 -0.09 -1.05 121.20 131.05 2x5y s ILE 762 Ca 0.20 0.25 0.01 0.00 0.00 0.00 0.00 60.65 61.11 2x5y s ILE 762 Cb -0.15 -3.47 0.02 0.00 0.01 0.00 0.00 42.46 38.87 2x5y s ILE 762 CO 0.09 0.49 -0.16 -1.61 0.00 0.00 0.00 174.94 173.75 2x5y s GLU 763 N -0.10 2.45 -0.26 2.79 2.02 -0.09 -4.76 118.70 120.76 2x5y s GLU 763 Ca 0.12 -0.63 -0.03 0.00 0.02 0.00 0.00 54.97 54.45 2x5y s GLU 763 Cb -0.12 -2.15 0.10 0.00 0.10 0.00 0.00 34.13 32.07 2x5y s GLU 763 CO 0.01 -0.16 0.19 1.21 0.02 0.00 0.00 175.26 176.53 2x5y s ASN 764 N 1.26 2.38 0.28 -0.19 3.84 -1.26 -0.92 114.94 120.33 2x5y s ASN 764 Ca 0.01 -0.82 0.01 0.00 0.21 0.00 0.00 52.86 52.26 2x5y s ASN 764 Cb -0.14 0.07 0.41 0.00 -0.55 0.00 0.00 41.25 41.04 2x5y s ASN 764 CO -0.08 -0.39 1.77 0.77 -2.79 0.00 0.00 177.10 176.38 2x5y h SER 765 N 8.35 0.63 -0.05 -4.21 4.64 -1.98 -0.22 113.55 120.70 2x5y h SER 765 Ca -0.17 -0.16 0.01 0.00 -0.47 0.00 0.00 61.79 61.00 2x5y h SER 765 Cb 1.08 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.99 2x5y h SER 765 CO 0.36 0.75 -0.04 -0.08 -0.87 0.00 0.00 176.83 176.95 2x5y h GLU 766 N 0.60 -0.04 -0.41 4.77 4.81 -1.96 0.14 114.58 122.49 2x5y h GLU 766 Ca 0.11 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.21 2x5y h GLU 766 Cb 0.50 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 2x5y h GLU 766 CO 0.03 -0.03 -0.27 -0.07 -0.73 0.00 0.00 179.01 177.94 2x5y h LEU 767 N -0.04 0.88 -0.62 1.64 3.38 -1.84 -2.52 115.31 116.19 2x5y h LEU 767 Ca 0.03 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.59 2x5y h LEU 767 Cb 0.09 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2x5y h LEU 767 CO -0.08 1.09 0.11 0.25 0.09 0.00 0.00 178.44 179.91 2x5y h LEU 768 N 0.73 0.97 -0.66 1.67 5.85 -0.84 -1.61 115.31 121.42 2x5y h LEU 768 Ca 0.09 -0.26 -0.09 0.00 0.84 0.00 0.00 57.88 58.46 2x5y h LEU 768 Cb 0.81 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 2x5y h LEU 768 CO 0.07 0.98 0.02 0.44 -0.34 0.00 0.00 178.44 179.61 2x5y h ASP 769 N 0.93 1.04 -0.68 1.25 3.32 -0.83 0.63 116.42 122.08 2x5y h ASP 769 Ca 0.19 -0.28 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 2x5y h ASP 769 Cb 0.42 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 2x5y h ASP 769 CO 0.01 1.07 0.26 0.11 -1.72 0.00 0.00 179.24 178.97 2x5y h LYS 770 N 0.98 1.02 -0.39 3.56 1.57 -1.27 -2.24 116.57 119.79 2x5y h LYS 770 Ca 0.18 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 2x5y h LYS 770 Cb 0.53 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2x5y h LYS 770 CO 0.03 0.85 0.02 0.35 -0.57 0.00 0.00 179.45 180.13 2x5y h PHE 771 N 0.96 0.74 -0.67 -1.35 3.57 -0.88 -1.68 116.94 117.63 2x5y h PHE 771 Ca 0.22 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 2x5y h PHE 771 Cb 0.22 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 2x5y h PHE 771 CO 0.02 0.75 0.39 1.15 -2.23 0.00 0.00 178.31 178.39 2x5y h THR 772 N 0.51 1.20 -0.27 4.41 2.02 -0.77 0.24 112.91 120.25 2x5y h THR 772 Ca 0.11 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 2x5y h THR 772 Cb 0.44 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 2x5y h THR 772 CO 0.02 0.21 0.10 -0.25 0.37 0.00 0.00 175.52 175.96 2x5y h TRP 773 N 0.91 0.43 -0.77 3.16 2.91 -1.34 -2.39 115.95 118.86 2x5y h TRP 773 Ca 0.24 -0.04 -0.04 0.00 1.13 0.00 0.00 58.89 60.18 2x5y h TRP 773 Cb -0.01 -0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 28.48 2x5y h TRP 773 CO -0.01 0.45 0.32 -0.22 -1.03 0.00 0.00 178.44 177.95 2x5y h LYS 774 N 0.28 1.15 -0.64 2.65 1.63 -0.90 -0.92 116.57 119.82 2x5y h LYS 774 Ca 0.09 -0.20 0.01 0.00 -0.85 0.00 0.00 60.65 59.70 2x5y h LYS 774 Cb 0.22 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 31.62 2x5y h LYS 774 CO -0.00 0.92 0.42 -0.22 -3.45 0.00 0.00 179.45 177.12 2x5y h LYS 775 N 1.12 0.84 -0.27 1.90 3.64 -0.85 0.11 116.57 123.07 2x5y h LYS 775 Ca 0.26 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 2x5y h LYS 775 Cb 0.20 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2x5y h LYS 775 CO -0.02 0.56 0.05 1.03 -2.27 0.00 0.00 179.45 178.79 2x5y h SER 776 N 0.87 0.42 -0.35 4.20 0.87 -0.94 -1.10 113.55 117.52 2x5y h SER 776 Ca 0.24 -0.25 0.01 0.00 -1.23 0.00 0.00 61.79 60.56 2x5y h SER 776 Cb -0.10 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 2x5y h SER 776 CO -0.05 0.57 0.21 1.56 -0.53 0.00 0.00 176.83 178.58 2x5y h GLN 777 N 0.26 0.41 0.00 2.24 1.08 -0.86 -3.00 115.11 115.25 2x5y h GLN 777 Ca 0.08 -0.02 -0.07 0.00 -1.45 0.00 0.00 58.65 57.19 2x5y h GLN 777 Cb 0.32 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2x5y h GLN 777 CO 0.00 0.27 -0.32 0.52 -0.95 0.00 0.00 178.83 178.35 2x5y h MET 778 N 0.43 0.00 -5.10 1.46 2.86 -0.72 -3.48 114.93 110.37 2x5y h MET 778 Ca 0.14 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 2x5y h MET 778 Cb -0.01 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.67 2x5y h MET 778 CO -0.06 0.32 -0.08 1.63 1.06 0.00 0.00 176.91 179.78 2x5y n LYS 779 N -3.42 -1.25 -3.77 1.72 5.02 -0.44 -5.05 118.16 110.97 2x5y n LYS 779 Ca 0.00 1.32 -0.10 0.00 -2.02 0.00 0.00 58.31 57.51 2x5y n LYS 779 Cb 0.51 -5.27 -0.06 0.00 -0.02 0.00 0.00 35.03 30.18 2x5y n LYS 779 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2x5y s GLU 780 N -3.13 1.01 0.08 1.97 2.56 -1.09 -5.04 118.70 115.07 2x5y s GLU 780 Ca 0.04 -0.88 0.09 0.00 0.00 0.00 0.00 54.97 54.23 2x5y s GLU 780 Cb -0.01 0.41 -0.03 0.00 2.00 0.00 0.00 34.13 36.50 2x5y s GLU 780 CO 0.66 -0.37 -0.24 -2.00 -0.56 0.00 0.00 175.26 172.75 2x5y s GLU 781 N -3.85 1.72 0.54 4.30 2.56 -1.26 -4.73 118.70 117.98 2x5y s GLU 781 Ca 0.06 -1.17 -0.21 0.00 0.00 0.00 0.00 54.97 53.64 2x5y s GLU 781 Cb 0.03 -2.02 -0.05 0.00 2.00 0.00 0.00 34.13 34.10 2x5y s GLU 781 CO -0.09 0.49 1.31 0.20 -0.56 0.00 0.00 175.26 176.61 2x5y s GLY 782 N -1.69 2.86 -0.03 -1.50 0.00 -1.26 -4.73 107.32 100.97 2x5y s GLY 782 Ca 0.14 1.24 0.06 0.00 0.00 0.00 0.00 44.72 46.16 2x5y s GLY 782 CO 0.05 1.73 -0.21 1.25 0.00 0.00 0.00 173.10 175.92 2x5y s LYS 783 N -2.93 1.90 -0.24 2.90 2.20 -0.52 -4.86 119.74 118.19 2x5y s LYS 783 Ca 0.71 -0.77 -0.26 0.00 -0.36 0.00 0.00 55.97 55.30 2x5y s LYS 783 Cb -0.37 -1.75 -0.00 0.00 -1.51 0.00 0.00 37.83 34.19 2x5y s LYS 783 CO 0.44 0.41 0.88 -0.51 -0.36 0.00 0.00 175.35 176.20 2x5y s LEU 784 N -0.34 4.09 0.20 5.43 1.43 -1.26 -0.59 118.68 127.64 2x5y s LEU 784 Ca 0.04 1.12 0.06 0.00 -1.03 0.00 0.00 54.13 54.32 2x5y s LEU 784 Cb -0.10 -3.27 -0.05 0.00 0.03 0.00 0.00 46.19 42.81 2x5y s LEU 784 CO 0.01 -0.55 -0.11 -0.76 0.23 0.00 0.00 176.35 175.17 2x5y s LEU 785 N 2.90 2.50 0.06 1.79 1.43 -0.34 -4.94 118.68 122.09 2x5y s LEU 785 Ca 0.37 -1.06 0.01 0.00 -1.03 0.00 0.00 54.13 52.43 2x5y s LEU 785 Cb -0.15 -0.53 -0.04 0.00 0.03 0.00 0.00 46.19 45.50 2x5y s LEU 785 CO 0.07 -0.27 0.14 -0.36 0.23 0.00 0.00 176.35 176.16 2x5y s PHE 786 N -3.13 3.35 -0.26 0.29 0.08 -0.18 -0.80 117.98 117.33 2x5y s PHE 786 Ca 0.22 0.17 -0.01 0.00 0.12 0.00 0.00 56.93 57.43 2x5y s PHE 786 Cb 0.01 -1.69 0.14 0.00 -0.57 0.00 0.00 43.02 40.91 2x5y s PHE 786 CO 0.06 0.56 0.37 -0.47 -0.10 0.00 0.00 175.22 175.63 2x5y s TYR 787 N -1.42 -0.80 0.21 0.36 5.04 -0.35 -1.26 117.35 119.12 2x5y s TYR 787 Ca 0.31 0.57 -0.28 0.00 -2.44 0.00 0.00 57.07 55.23 2x5y s TYR 787 Cb -0.13 -0.10 -0.09 0.00 0.35 0.00 0.00 41.96 42.00 2x5y s TYR 787 CO 0.24 -0.80 0.87 0.00 -1.34 0.00 0.00 175.55 174.52 2x5y s ALA 788 N 2.51 3.39 0.29 3.97 0.00 -1.26 -0.56 121.76 130.10 2x5y s ALA 788 Ca 0.11 0.50 -0.07 0.00 0.00 0.00 0.00 51.96 52.50 2x5y s ALA 788 Cb -0.15 -3.09 0.03 0.00 0.00 0.00 0.00 23.12 19.91 2x5y s ALA 788 CO -0.21 0.25 0.52 -2.37 0.00 0.00 0.00 175.76 173.94 2x5y n THR 789 N 1.50 0.00 -3.14 0.00 5.66 -0.55 -4.96 114.28 112.79 2x5y n THR 789 Ca -0.03 -1.00 -0.34 0.00 -3.05 0.00 0.00 64.05 59.63 2x5y n THR 789 Cb 0.48 0.79 -0.06 0.00 -1.55 0.00 0.00 70.33 69.99 2x5y n THR 789 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2x5y s SER 790 N -2.62 6.86 0.57 1.09 1.04 -1.26 -0.99 113.70 118.38 2x5y s SER 790 Ca 0.16 1.31 0.27 0.00 0.48 0.00 0.00 55.95 58.17 2x5y s SER 790 Cb -0.03 -2.38 1.51 0.00 0.10 0.00 0.00 66.02 65.22 2x5y s SER 790 CO 0.12 -0.12 2.01 -0.09 0.98 0.00 0.00 173.24 176.13 2x5y h ARG 791 N 2.64 0.00 -0.50 4.02 2.43 -1.18 -1.40 114.38 120.38 2x5y h ARG 791 Ca -0.48 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 58.82 2x5y h ARG 791 Cb 1.18 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 2x5y h ARG 791 CO 0.65 0.00 0.36 0.00 -1.51 0.00 0.00 179.97 179.47 2x5y h ALA 792 N 1.67 2.38 -0.06 2.80 0.00 -1.93 -2.21 119.26 121.91 2x5y h ALA 792 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2x5y h ALA 792 Cb 0.86 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2x5y h ALA 792 CO -0.00 -0.51 0.00 0.66 0.00 0.00 0.00 179.25 179.39 2x5y n TYR 793 N -4.41 0.05 -0.01 0.00 4.01 -0.53 -4.52 117.16 111.75 2x5y n TYR 793 Ca 0.09 -0.03 -0.10 0.00 -0.16 0.00 0.00 57.90 57.70 2x5y n TYR 793 Cb 0.53 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.51 2x5y n TYR 793 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2x5y h VAL 794 N 3.51 0.90 -0.75 -0.72 2.07 -1.51 -1.11 116.25 118.64 2x5y h VAL 794 Ca 0.00 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2x5y h VAL 794 Cb 0.75 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 2x5y h VAL 794 CO 0.00 0.01 0.43 -0.33 0.02 0.00 0.00 177.57 177.70 2x5y h GLU 795 N 0.03 1.04 -0.04 1.57 5.08 -1.80 -0.84 114.58 119.62 2x5y h GLU 795 Ca 0.06 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2x5y h GLU 795 Cb 0.08 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 2x5y h GLU 795 CO -0.11 0.76 0.00 1.03 -1.00 0.00 0.00 179.01 179.69 2x5y h SER 796 N 1.04 -0.01 -0.24 1.42 0.87 -1.77 -1.75 113.55 113.11 2x5y h SER 796 Ca 0.27 0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.76 2x5y h SER 796 Cb 0.01 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 2x5y h SER 796 CO -0.05 0.00 -0.16 0.40 -0.53 0.00 0.00 176.83 176.50 2x5y h ILE 797 N 0.02 1.31 -0.08 2.23 2.04 -1.05 0.04 117.51 122.02 2x5y h ILE 797 Ca 0.02 -1.27 -0.04 0.00 1.00 0.00 0.00 64.86 64.57 2x5y h ILE 797 Cb 0.01 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 2x5y h ILE 797 CO -0.02 0.39 -0.14 0.00 0.00 0.00 0.00 178.15 178.38 2x5y h SER 799 N 0.12 -0.09 0.00 0.00 0.02 -1.20 -3.43 113.55 108.96 2x5y h SER 799 Ca 0.02 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2x5y h SER 799 Cb 0.32 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2x5y h SER 799 CO 0.02 0.57 0.00 0.59 -1.14 0.00 0.00 176.83 176.87 2x5y n ASN 800 N -4.80 1.30 -0.17 3.07 3.02 -0.01 -4.91 115.26 112.75 2x5y n ASN 800 Ca -0.07 -1.42 0.02 0.00 -0.03 0.00 0.00 54.58 53.08 2x5y n ASN 800 Cb 0.26 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.43 2x5y n ASN 800 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2x5y n ASN 801 N -0.21 -1.01 -4.77 6.41 2.85 -0.04 -4.89 115.26 113.61 2x5y n ASN 801 Ca 0.00 0.13 -0.40 0.00 -0.11 0.00 0.00 54.58 54.20 2x5y n ASN 801 Cb 0.15 -0.55 -0.01 0.00 1.24 0.00 0.00 39.78 40.61 2x5y n ASN 801 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2x5y s PHE 802 N -2.24 2.89 -0.11 1.20 0.08 -1.26 -4.42 117.98 114.12 2x5y s PHE 802 Ca 0.00 1.42 0.00 0.00 0.12 0.00 0.00 56.93 58.47 2x5y s PHE 802 Cb 0.00 -3.66 0.02 0.00 -0.57 0.00 0.00 43.02 38.81 2x5y s PHE 802 CO 0.00 -1.99 -0.10 0.34 -0.10 0.00 0.00 175.22 173.37 2x5y s ASP 803 N -0.68 2.23 0.21 1.36 -1.08 -1.26 -4.85 116.67 112.59 2x5y s ASP 803 Ca 0.55 -0.35 -0.09 0.00 -0.52 0.00 0.00 52.55 52.14 2x5y s ASP 803 Cb -0.38 -0.92 0.29 0.00 -1.46 0.00 0.00 42.92 40.45 2x5y s ASP 803 CO 0.50 -0.07 1.73 0.77 0.52 0.00 0.00 175.17 178.61 2x5y h SER 804 N 7.90 0.14 -0.35 -0.34 4.64 -1.95 -0.04 113.55 123.56 2x5y h SER 804 Ca -0.32 0.09 -0.17 0.00 -0.47 0.00 0.00 61.79 60.92 2x5y h SER 804 Cb 1.14 0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2x5y h SER 804 CO 0.45 0.08 -0.44 -0.26 -0.87 0.00 0.00 176.83 175.79 2x5y h PHE 805 N 0.35 1.13 0.14 4.77 0.04 -1.94 -2.32 116.94 119.11 2x5y h PHE 805 Ca 0.32 -0.36 -0.29 0.00 2.80 0.00 0.00 57.97 60.44 2x5y h PHE 805 Cb 0.43 -0.23 0.01 0.00 2.20 0.00 0.00 35.95 38.36 2x5y h PHE 805 CO -0.20 1.19 -1.32 1.25 -0.60 0.00 0.00 178.31 178.64 2x5y h LEU 806 N 0.74 0.47 0.00 1.54 5.85 -1.93 -3.42 115.31 118.56 2x5y h LEU 806 Ca 0.04 -0.53 -0.22 0.00 0.84 0.00 0.00 57.88 58.02 2x5y h LEU 806 Cb 1.05 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 2x5y h LEU 806 CO 0.11 1.42 -1.84 1.41 -0.34 0.00 0.00 178.44 179.19 2x5y n HIS 807 N -3.54 0.00 -2.45 1.25 8.25 -0.05 -5.03 115.22 113.64 2x5y n HIS 807 Ca -0.11 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.94 2x5y n HIS 807 Cb 1.04 -0.59 -0.03 0.00 1.12 0.00 0.00 29.99 31.53 2x5y n HIS 807 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2x5y s GLU 808 N -2.30 4.46 -0.01 -0.41 2.56 -0.87 -4.89 118.70 117.24 2x5y s GLU 808 Ca -0.14 1.75 0.12 0.00 0.00 0.00 0.00 54.97 56.70 2x5y s GLU 808 Cb 0.04 -3.34 -0.16 0.00 2.00 0.00 0.00 34.13 32.68 2x5y s GLU 808 CO 0.41 -0.19 0.35 0.25 -0.56 0.00 0.00 175.26 175.52 2x5y n THR 809 N 3.65 0.00 -2.34 -1.70 -2.24 -1.26 -4.98 114.28 105.41 2x5y n THR 809 Ca 0.08 -0.25 -0.40 0.00 -2.27 0.00 0.00 64.05 61.20 2x5y n THR 809 Cb 0.46 0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 69.22 2x5y n THR 809 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2x5y s HIS 810 N -2.51 3.36 0.49 4.78 5.04 -1.26 -4.97 115.29 120.22 2x5y s HIS 810 Ca -0.01 1.59 -0.23 0.00 -1.54 0.00 0.00 55.06 54.88 2x5y s HIS 810 Cb 0.08 -3.43 -0.08 0.00 0.04 0.00 0.00 32.58 29.19 2x5y s HIS 810 CO 0.48 -1.05 1.12 -1.91 -2.34 0.00 0.00 174.74 171.05 2x5y n GLU 811 N 0.98 1.45 -2.21 2.88 2.13 -1.26 -4.87 120.64 119.74 2x5y n GLU 811 Ca -0.00 0.53 -0.36 0.00 0.66 0.00 0.00 57.16 57.98 2x5y n GLU 811 Cb 0.44 -2.25 -0.04 0.00 0.27 0.00 0.00 31.44 29.86 2x5y n GLU 811 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2x5y s ASN 812 N -0.83 5.57 -0.15 4.31 2.47 -1.26 -4.63 114.94 120.41 2x5y s ASN 812 Ca 0.67 -0.29 0.08 0.00 0.42 0.00 0.00 52.86 53.74 2x5y s ASN 812 Cb -0.49 -2.55 -0.15 0.00 -1.45 0.00 0.00 41.25 36.62 2x5y s ASN 812 CO 0.54 -2.26 -0.03 0.29 -3.72 0.00 0.00 177.10 171.92 2x5y n LYS 813 N 9.11 1.27 -0.06 0.43 5.02 -1.26 -4.77 118.16 127.90 2x5y n LYS 813 Ca 0.23 0.03 0.02 0.00 -2.02 0.00 0.00 58.31 56.57 2x5y n LYS 813 Cb 0.50 -1.35 0.02 0.00 -0.02 0.00 0.00 35.03 34.18 2x5y n LYS 813 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2x5y n TYR 814 N -2.70 0.00 0.00 2.13 4.01 -1.26 -3.73 117.16 115.61 2x5y n TYR 814 Ca -0.26 -0.42 0.00 0.00 -0.16 0.00 0.00 57.90 57.07 2x5y n TYR 814 Cb 0.91 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.88 2x5y n TYR 814 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x5y n GLY 815 N -0.50 3.43 3.18 2.72 0.00 -0.98 -2.94 105.19 110.10 2x5y n GLY 815 Ca 0.03 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 2x5y n GLY 815 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2x5y n LYS 816 N -1.17 3.50 -0.05 1.61 4.76 0.26 -4.83 118.16 122.25 2x5y n LYS 816 Ca 0.00 -3.70 0.00 0.00 -2.87 0.00 0.00 58.31 51.74 2x5y n LYS 816 Cb 0.00 -2.98 0.00 0.00 -1.84 0.00 0.00 35.03 30.21 2x5y n LYS 816 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2x5y n GLY 817 N 3.46 5.36 3.72 0.72 0.00 -1.26 -4.80 105.19 112.39 2x5y n GLY 817 Ca 0.38 -1.48 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 2x5y n GLY 817 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x5y s ILE 818 N -0.87 5.33 -0.45 -0.61 1.01 0.08 -4.85 121.20 120.85 2x5y s ILE 818 Ca 0.00 0.46 -0.14 0.00 0.00 0.00 0.00 60.65 60.96 2x5y s ILE 818 Cb 0.00 -3.59 0.06 0.00 0.01 0.00 0.00 42.46 38.94 2x5y s ILE 818 CO 0.00 0.39 0.35 -0.31 0.00 0.00 0.00 174.94 175.37 2x5y s TYR 819 N 0.53 3.25 -0.04 3.97 1.51 -1.26 -1.24 117.35 124.07 2x5y s TYR 819 Ca 0.14 -0.93 -0.03 0.00 -1.01 0.00 0.00 57.07 55.25 2x5y s TYR 819 Cb -0.13 -2.99 -0.04 0.00 -0.11 0.00 0.00 41.96 38.70 2x5y s TYR 819 CO 0.03 -0.75 0.13 -0.06 -1.11 0.00 0.00 175.55 173.79 2x5y s PHE 820 N 1.62 3.47 -0.08 2.71 0.08 -0.03 -4.86 117.98 120.88 2x5y s PHE 820 Ca 0.04 0.35 -0.01 0.00 0.12 0.00 0.00 56.93 57.43 2x5y s PHE 820 Cb -0.23 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.36 2x5y s PHE 820 CO 0.07 0.63 -0.04 0.00 -0.10 0.00 0.00 175.22 175.78 2x5y s ALA 821 N -1.19 3.09 0.19 5.36 0.00 -0.39 -0.83 121.76 127.98 2x5y s ALA 821 Ca 0.22 -0.85 -0.12 0.00 0.00 0.00 0.00 51.96 51.21 2x5y s ALA 821 Cb -0.12 -1.35 0.11 0.00 0.00 0.00 0.00 23.12 21.76 2x5y s ALA 821 CO 0.13 0.54 1.81 -0.22 0.00 0.00 0.00 175.76 178.02 2x5y h LYS 822 N 5.37 0.89 -5.29 0.00 3.64 -1.48 -0.45 116.57 119.26 2x5y h LYS 822 Ca -0.48 -0.10 -0.65 0.00 -1.27 0.00 0.00 60.65 58.16 2x5y h LYS 822 Cb 1.18 -0.18 -0.25 0.00 -0.41 0.00 0.00 32.23 32.58 2x5y h LYS 822 CO 0.54 0.66 -0.72 -0.51 -2.27 0.00 0.00 179.45 177.15 2x5y s ASP 823 N -5.93 4.37 0.32 4.20 1.01 -1.26 -4.77 116.67 114.62 2x5y s ASP 823 Ca -0.13 -0.24 0.05 0.00 0.71 0.00 0.00 52.55 52.94 2x5y s ASP 823 Cb 0.14 -1.69 0.70 0.00 1.01 0.00 0.00 42.92 43.07 2x5y s ASP 823 CO 0.78 0.16 1.86 0.00 0.21 0.00 0.00 175.17 178.17 2x5y h ALA 824 N 6.79 1.69 -0.13 5.23 0.00 -1.85 -1.56 119.26 129.43 2x5y h ALA 824 Ca -0.29 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2x5y h ALA 824 Cb 1.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2x5y h ALA 824 CO 0.59 0.07 0.05 0.97 0.00 0.00 0.00 179.25 180.93 2x5y h ILE 825 N 0.83 1.06 -0.32 0.00 6.09 -1.88 -0.81 117.51 122.48 2x5y h ILE 825 Ca 0.46 -0.20 -0.02 0.00 -1.37 0.00 0.00 64.86 63.73 2x5y h ILE 825 Cb 0.59 0.91 -0.01 0.00 0.47 0.00 0.00 36.82 38.78 2x5y h ILE 825 CO -0.22 0.07 0.12 0.22 -3.07 0.00 0.00 178.15 175.26 2x5y h TYR 826 N 0.18 0.49 -0.48 2.19 3.20 -1.68 -0.57 116.97 120.31 2x5y h TYR 826 Ca 0.05 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 2x5y h TYR 826 Cb 0.05 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 2x5y h TYR 826 CO 0.00 0.48 -0.07 1.03 -1.64 0.00 0.00 178.16 177.96 2x5y h SER 827 N 0.36 0.89 0.01 -2.11 0.87 -1.42 -2.70 113.55 109.45 2x5y h SER 827 Ca 0.10 -0.34 0.02 0.00 -1.23 0.00 0.00 61.79 60.35 2x5y h SER 827 Cb 0.21 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 2x5y h SER 827 CO -0.01 1.02 -0.18 -0.74 -0.53 0.00 0.00 176.83 176.40 2x5y h HIS 828 N 0.74 -0.46 0.00 2.24 -0.00 -1.04 -2.44 115.15 114.19 2x5y h HIS 828 Ca 0.13 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.50 2x5y h HIS 828 Cb 0.61 0.20 -0.00 0.00 -0.00 0.00 0.00 27.41 28.22 2x5y h HIS 828 CO 0.05 -0.25 -0.04 1.57 -0.00 0.00 0.00 177.93 179.25 2x5y h LYS 829 N -0.29 0.00 -0.02 5.26 2.10 -1.04 -2.95 116.57 119.63 2x5y h LYS 829 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 2x5y h LYS 829 Cb 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 2x5y h LYS 829 CO -0.16 0.04 -0.19 0.09 -2.00 0.00 0.00 179.45 177.23 2x5y n ASN 830 N -3.13 2.05 -4.73 7.07 4.13 -1.03 -4.95 115.26 114.67 2x5y n ASN 830 Ca 0.02 -1.55 -0.41 0.00 1.68 0.00 0.00 54.58 54.31 2x5y n ASN 830 Cb 0.41 0.17 -0.04 0.00 -1.54 0.00 0.00 39.78 38.77 2x5y n ASN 830 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2x5y n PRO 832 N 2.58 0.82 -3.38 0.00 -0.04 -1.26 -4.94 135.00 128.78 2x5y n PRO 832 Ca 0.02 -0.38 -0.31 0.00 -0.04 0.00 0.00 63.50 62.80 2x5y n PRO 832 Cb 0.48 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.41 2x5y n PRO 832 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2x5y s TYR 833 N -2.44 3.45 0.24 0.54 2.02 -1.26 -5.02 117.35 114.87 2x5y s TYR 833 Ca 0.28 0.79 -0.30 0.00 -0.37 0.00 0.00 57.07 57.46 2x5y s TYR 833 Cb 0.20 -2.20 -0.14 0.00 -0.40 0.00 0.00 41.96 39.41 2x5y s TYR 833 CO 0.48 0.23 1.15 -3.47 -1.57 0.00 0.00 175.55 172.36 2x5y n ASP 834 N -0.45 1.61 -0.14 2.29 2.03 -1.26 -4.78 116.55 115.85 2x5y n ASP 834 Ca -0.00 1.16 0.25 0.00 0.52 0.00 0.00 54.79 56.72 2x5y n ASP 834 Cb 0.53 -1.29 0.69 0.00 -0.72 0.00 0.00 41.12 40.33 2x5y n ASP 834 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2x5y h ALA 835 N 2.92 2.69 0.00 -1.67 0.00 -1.95 0.27 119.26 121.51 2x5y h ALA 835 Ca -0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2x5y h ALA 835 Cb 1.33 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2x5y h ALA 835 CO 0.67 -0.92 0.00 0.87 0.00 0.00 0.00 179.25 179.87 2x5y h LYS 836 N 0.05 0.00 0.00 0.00 1.57 -1.97 -2.82 116.57 113.41 2x5y h LYS 836 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 2x5y h LYS 836 Cb 1.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.79 2x5y h LYS 836 CO -0.03 0.00 -0.92 0.09 -0.57 0.00 0.00 179.45 178.02 2x5y n ASN 837 N -2.41 0.83 -4.76 0.86 3.02 0.92 -5.00 115.26 108.73 2x5y n ASN 837 Ca 0.01 -0.73 -0.40 0.00 -0.03 0.00 0.00 54.58 53.43 2x5y n ASN 837 Cb 0.18 1.12 -0.05 0.00 -0.61 0.00 0.00 39.78 40.42 2x5y n ASN 837 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2x5y s VAL 838 N -2.61 4.58 0.20 2.41 1.01 -1.07 -0.60 120.40 124.33 2x5y s VAL 838 Ca 0.04 1.69 0.09 0.00 0.00 0.00 0.00 61.98 63.80 2x5y s VAL 838 Cb 0.12 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 2x5y s VAL 838 CO 0.66 0.42 -0.17 0.68 0.00 0.00 0.00 175.10 176.69 2x5y s VAL 839 N -0.45 1.90 -0.32 2.92 -7.23 -0.16 -4.71 120.40 112.34 2x5y s VAL 839 Ca 0.38 -2.13 -0.05 0.00 -1.81 0.00 0.00 61.98 58.38 2x5y s VAL 839 Cb -0.22 -2.01 0.04 0.00 0.56 0.00 0.00 36.38 34.76 2x5y s VAL 839 CO 0.25 -0.45 0.06 -0.32 -0.31 0.00 0.00 175.10 174.33 2x5y s MET 840 N -3.28 2.57 0.52 4.82 1.75 -0.29 -1.49 119.30 123.90 2x5y s MET 840 Ca 0.21 -1.20 -0.18 0.00 -1.25 0.00 0.00 55.69 53.27 2x5y s MET 840 Cb -0.03 -3.35 -0.07 0.00 2.84 0.00 0.00 34.83 34.21 2x5y s MET 840 CO 0.08 -0.64 1.03 -0.06 -0.65 0.00 0.00 175.02 174.78 2x5y s PHE 841 N 1.35 3.10 -0.10 4.11 0.08 0.28 -0.51 117.98 126.29 2x5y s PHE 841 Ca -0.03 1.54 0.03 0.00 0.12 0.00 0.00 56.93 58.59 2x5y s PHE 841 Cb -0.19 -2.98 0.01 0.00 -0.57 0.00 0.00 43.02 39.28 2x5y s PHE 841 CO 0.01 -0.79 -0.21 0.08 -0.10 0.00 0.00 175.22 174.21 2x5y s VAL 842 N -2.28 1.83 0.04 -0.44 1.01 -0.03 -1.21 120.40 119.32 2x5y s VAL 842 Ca 0.64 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 61.83 2x5y s VAL 842 Cb -0.14 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 2x5y s VAL 842 CO 0.27 0.51 -0.23 0.00 0.00 0.00 0.00 175.10 175.65 2x5y s ALA 843 N 0.53 1.94 0.03 5.51 0.00 0.02 -1.07 121.76 128.71 2x5y s ALA 843 Ca -0.15 -1.13 -0.30 0.00 0.00 0.00 0.00 51.96 50.38 2x5y s ALA 843 Cb -0.17 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 2x5y s ALA 843 CO 0.05 0.45 1.12 -0.65 0.00 0.00 0.00 175.76 176.73 2x5y s GLN 844 N -1.15 4.47 -0.03 0.00 -1.52 -0.07 -1.20 119.66 120.16 2x5y s GLN 844 Ca 0.09 1.64 0.03 0.00 -1.95 0.00 0.00 55.36 55.17 2x5y s GLN 844 Cb -0.09 -3.40 0.00 0.00 -0.22 0.00 0.00 33.01 29.30 2x5y s GLN 844 CO 0.02 -0.20 -0.11 0.08 -0.25 0.00 0.00 175.29 174.82 2x5y s VAL 845 N 1.14 0.97 -0.53 1.09 1.01 0.24 -0.66 120.40 123.66 2x5y s VAL 845 Ca 0.56 -0.46 -0.17 0.00 0.00 0.00 0.00 61.98 61.91 2x5y s VAL 845 Cb -0.26 -0.86 0.11 0.00 0.00 0.00 0.00 36.38 35.37 2x5y s VAL 845 CO 0.28 0.30 0.53 -0.76 0.00 0.00 0.00 175.10 175.45 2x5y s LEU 846 N 0.18 5.80 0.10 3.92 1.43 0.32 -1.44 118.68 128.99 2x5y s LEU 846 Ca -0.04 -1.55 0.13 0.00 -1.03 0.00 0.00 54.13 51.65 2x5y s LEU 846 Cb -0.10 -2.24 -0.13 0.00 0.03 0.00 0.00 46.19 43.75 2x5y s LEU 846 CO 0.01 -0.87 1.01 -0.37 0.23 0.00 0.00 176.35 176.36 2x5y h VAL 847 N 5.87 0.90 0.00 -1.59 -1.51 -1.87 -3.47 116.25 114.58 2x5y h VAL 847 Ca -0.29 -2.50 0.00 0.00 -1.23 0.00 0.00 66.70 62.68 2x5y h VAL 847 Cb 1.10 2.37 0.00 0.00 -2.13 0.00 0.00 31.29 32.63 2x5y h VAL 847 CO 1.01 0.51 0.00 0.61 -1.23 0.00 0.00 177.57 178.48 2x5y n GLY 848 N 1.39 1.90 3.70 5.19 0.00 -1.26 -3.56 105.19 112.55 2x5y n GLY 848 Ca -0.07 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 2x5y n GLY 848 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x5y s LYS 849 N 0.00 4.43 0.19 1.61 1.02 -1.26 -4.89 119.74 120.84 2x5y s LYS 849 Ca 0.00 1.08 0.09 0.00 0.02 0.00 0.00 55.97 57.16 2x5y s LYS 849 Cb 0.00 -3.49 -0.04 0.00 -0.52 0.00 0.00 37.83 33.78 2x5y s LYS 849 CO 0.00 -0.10 -0.08 -0.59 -0.92 0.00 0.00 175.35 173.66 2x5y s PHE 850 N 1.30 2.64 0.04 3.18 -0.12 -1.26 -0.08 117.98 123.68 2x5y s PHE 850 Ca 0.42 -0.22 -0.04 0.00 -0.05 0.00 0.00 56.93 57.04 2x5y s PHE 850 Cb -0.18 -1.27 -0.01 0.00 -0.63 0.00 0.00 43.02 40.92 2x5y s PHE 850 CO 0.19 0.53 0.07 -1.50 -0.05 0.00 0.00 175.22 174.46 2x5y s ILE 851 N -1.81 0.14 0.24 -4.49 2.07 -1.07 -4.97 121.20 111.31 2x5y s ILE 851 Ca 0.26 -1.13 -0.31 0.00 -1.41 0.00 0.00 60.65 58.06 2x5y s ILE 851 Cb -0.08 -0.85 -0.14 0.00 0.13 0.00 0.00 42.46 41.51 2x5y s ILE 851 CO 0.16 -0.62 1.25 -0.62 -1.91 0.00 0.00 174.94 173.20 2x5y n GLU 852 N 0.84 1.65 -2.22 3.50 4.71 -1.26 -1.14 120.64 126.73 2x5y n GLU 852 Ca -0.19 0.59 -0.27 0.00 -0.01 0.00 0.00 57.16 57.27 2x5y n GLU 852 Cb 0.58 -2.14 0.13 0.00 -1.01 0.00 0.00 31.44 29.01 2x5y n GLU 852 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2x5y s GLY 853 N -0.00 1.75 -0.15 0.62 0.00 -0.59 -4.74 107.32 104.20 2x5y s GLY 853 Ca 0.67 -1.32 -0.14 0.00 0.00 0.00 0.00 44.72 43.92 2x5y s GLY 853 CO 0.53 -0.70 0.41 0.21 0.00 0.00 0.00 173.10 173.55 2x5y s ASN 854 N -4.75 -0.43 0.60 1.64 3.84 -1.15 -4.76 114.94 109.93 2x5y s ASN 854 Ca 0.68 0.82 0.33 0.00 0.21 0.00 0.00 52.86 54.90 2x5y s ASN 854 Cb -0.06 0.83 1.93 0.00 -0.55 0.00 0.00 41.25 43.41 2x5y s ASN 854 CO 0.48 -0.15 2.26 0.40 -2.79 0.00 0.00 177.10 177.31 2x5y h ILE 855 N 4.48 0.39 -0.01 -5.21 2.04 -1.85 -1.35 117.51 116.00 2x5y h ILE 855 Ca -0.27 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.53 2x5y h ILE 855 Cb 1.18 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 2x5y h ILE 855 CO 0.25 0.01 0.00 0.35 0.00 0.00 0.00 178.15 178.76 2x5y n THR 856 N -3.63 0.01 -3.00 -0.27 -2.24 -1.26 -4.60 114.28 99.29 2x5y n THR 856 Ca -0.03 -0.12 -0.40 0.00 -2.27 0.00 0.00 64.05 61.23 2x5y n THR 856 Cb 0.10 -0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 68.26 2x5y n THR 856 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2x5y s TYR 857 N -1.99 3.59 -1.15 4.78 2.02 -0.55 -4.89 117.35 119.15 2x5y s TYR 857 Ca 0.42 1.31 0.10 0.00 -0.37 0.00 0.00 57.07 58.53 2x5y s TYR 857 Cb 0.21 -2.85 0.12 0.00 -0.40 0.00 0.00 41.96 39.04 2x5y s TYR 857 CO 0.34 0.07 0.91 0.25 -1.57 0.00 0.00 175.55 175.55 2x5y n THR 858 N 3.81 0.22 -3.48 -0.71 -2.24 -1.26 -0.57 114.28 110.06 2x5y n THR 858 Ca -0.00 -0.61 -0.13 0.00 -2.27 0.00 0.00 64.05 61.04 2x5y n THR 858 Cb 0.51 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.76 2x5y n THR 858 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2x5y s SER 859 N -0.87 -0.52 0.75 3.42 0.15 -1.26 -4.86 113.70 110.50 2x5y s SER 859 Ca 0.14 0.07 -0.11 0.00 0.70 0.00 0.00 55.95 56.74 2x5y s SER 859 Cb 0.09 0.56 0.04 0.00 -1.71 0.00 0.00 66.02 65.00 2x5y s SER 859 CO 0.13 -0.88 1.08 -2.84 1.20 0.00 0.00 173.24 171.92 2x5y s PRO 860 N -3.30 2.47 1.01 5.44 0.02 -1.26 -5.02 135.00 134.36 2x5y s PRO 860 Ca -0.01 0.97 -0.11 0.00 0.02 0.00 0.00 61.00 61.87 2x5y s PRO 860 Cb -0.00 -1.94 0.20 0.00 0.02 0.00 0.00 34.50 32.78 2x5y s PRO 860 CO -0.09 -1.44 1.09 -2.14 -0.33 0.00 0.00 177.00 174.10 2x5y s PRO 861 N -5.01 0.25 0.38 5.54 0.02 -1.26 -4.86 135.00 130.06 2x5y s PRO 861 Ca 0.60 1.21 -0.28 0.00 0.02 0.00 0.00 61.00 62.56 2x5y s PRO 861 Cb -0.15 -1.66 -0.11 0.00 0.02 0.00 0.00 34.50 32.59 2x5y s PRO 861 CO 0.55 -3.05 1.42 -2.30 -0.33 0.00 0.00 177.00 173.30 2x5y n PRO 862 N -4.49 2.47 -0.94 5.54 -0.02 -1.26 -1.55 135.00 134.75 2x5y n PRO 862 Ca 0.08 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 2x5y n PRO 862 Cb 0.53 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 2x5y n PRO 862 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2x5y n GLN 863 N 0.40 -0.02 -4.28 -0.52 1.13 -1.26 -5.01 117.38 107.82 2x5y n GLN 863 Ca 0.03 0.01 -0.30 0.00 -1.94 0.00 0.00 57.00 54.79 2x5y n GLN 863 Cb 0.38 -2.81 -0.10 0.00 0.11 0.00 0.00 30.24 27.82 2x5y n GLN 863 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2x5y s PHE 864 N -3.46 2.70 -0.40 1.08 0.08 -0.60 -4.74 117.98 112.63 2x5y s PHE 864 Ca 0.00 -0.18 0.08 0.00 0.12 0.00 0.00 56.93 56.95 2x5y s PHE 864 Cb 0.00 -1.43 -0.08 0.00 -0.57 0.00 0.00 43.02 40.95 2x5y s PHE 864 CO 0.00 0.41 0.35 -0.25 -0.10 0.00 0.00 175.22 175.63 2x5y n ASP 865 N 0.81 0.44 -3.59 1.36 8.00 0.89 -4.67 116.55 119.78 2x5y n ASP 865 Ca -0.14 -0.72 -0.09 0.00 0.71 0.00 0.00 54.79 54.55 2x5y n ASP 865 Cb 0.52 0.95 -0.02 0.00 -0.02 0.00 0.00 41.12 42.56 2x5y n ASP 865 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2x5y s SER 866 N -1.69 -0.40 0.18 -2.24 1.04 -1.17 -4.71 113.70 104.72 2x5y s SER 866 Ca 0.03 -0.20 0.10 0.00 0.48 0.00 0.00 55.95 56.36 2x5y s SER 866 Cb 0.06 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.71 2x5y s SER 866 CO 0.31 -0.98 -0.16 0.00 0.98 0.00 0.00 173.24 173.39 2x5y s VAL 868 N -1.66 0.62 0.08 0.00 -7.23 -0.29 -0.05 120.40 111.87 2x5y s VAL 868 Ca 0.23 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.23 2x5y s VAL 868 Cb -0.09 -2.46 -0.10 0.00 0.56 0.00 0.00 36.38 34.30 2x5y s VAL 868 CO 0.13 -0.16 1.43 -2.24 -0.31 0.00 0.00 175.10 173.94 2x5y h ASP 869 N 2.48 0.56 -3.85 4.85 2.03 -1.86 -1.58 116.42 119.05 2x5y h ASP 869 Ca -0.38 -0.43 -0.09 0.00 -0.73 0.00 0.00 57.03 55.41 2x5y h ASP 869 Cb 1.23 -0.16 -0.23 0.00 -0.83 0.00 0.00 39.33 39.35 2x5y h ASP 869 CO 0.62 0.87 -0.10 0.28 -1.03 0.00 0.00 179.24 179.87 2x5y s THR 870 N -4.53 -0.00 0.11 1.15 -1.32 -1.26 -4.81 115.64 104.97 2x5y s THR 870 Ca -0.13 0.01 0.25 0.00 -1.21 0.00 0.00 61.69 60.61 2x5y s THR 870 Cb 0.07 -0.74 0.26 0.00 -1.51 0.00 0.00 72.50 70.58 2x5y s THR 870 CO 0.78 0.00 1.84 0.03 -2.21 0.00 0.00 174.62 175.06 2x5y h ARG 871 N 5.49 0.00 0.00 7.08 3.08 -1.94 -2.89 114.38 125.20 2x5y h ARG 871 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 2x5y h ARG 871 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2x5y h ARG 871 CO 0.18 0.19 -0.97 -1.13 -1.07 0.00 0.00 179.97 177.17 2x5y n SER 872 N -3.34 0.63 -2.91 7.04 3.41 -1.26 -4.37 113.62 112.83 2x5y n SER 872 Ca 0.00 -0.12 -0.13 0.00 -0.26 0.00 0.00 58.87 58.37 2x5y n SER 872 Cb 0.42 0.69 0.02 0.00 -0.26 0.00 0.00 64.21 65.07 2x5y n SER 872 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2x5y n ASN 873 N -2.03 0.49 -4.68 4.04 5.15 -1.25 -5.12 115.26 111.87 2x5y n ASN 873 Ca 0.02 -2.92 -0.43 0.00 -0.60 0.00 0.00 54.58 50.64 2x5y n ASN 873 Cb 0.44 -0.18 -0.03 0.00 -0.53 0.00 0.00 39.78 39.48 2x5y n ASN 873 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2x5y n PRO 874 N 0.09 2.71 0.00 1.20 -0.04 -1.09 -4.75 135.00 133.12 2x5y n PRO 874 Ca 0.15 0.99 0.00 0.00 -0.04 0.00 0.00 63.50 64.60 2x5y n PRO 874 Cb 0.74 -2.88 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 2x5y n PRO 874 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2x5y n SER 875 N 6.05 0.14 -3.94 3.54 3.41 -1.26 -4.86 113.62 116.70 2x5y n SER 875 Ca 0.19 -0.46 -0.20 0.00 -0.26 0.00 0.00 58.87 58.14 2x5y n SER 875 Cb 0.37 0.48 -0.16 0.00 -0.26 0.00 0.00 64.21 64.64 2x5y n SER 875 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2x5y s VAL 876 N -0.48 0.61 -0.14 -3.33 1.01 -1.26 -1.18 120.40 115.63 2x5y s VAL 876 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.77 2x5y s VAL 876 Cb 0.00 -0.59 0.02 0.00 0.00 0.00 0.00 36.38 35.81 2x5y s VAL 876 CO 0.00 0.22 -0.18 -0.36 0.00 0.00 0.00 175.10 174.79 2x5y s PHE 877 N 0.55 2.37 -0.24 5.22 0.08 -0.01 -3.06 117.98 122.90 2x5y s PHE 877 Ca -0.08 -1.27 -0.09 0.00 0.12 0.00 0.00 56.93 55.61 2x5y s PHE 877 Cb -0.11 -1.68 -0.04 0.00 -0.57 0.00 0.00 43.02 40.62 2x5y s PHE 877 CO 0.00 -0.64 0.11 0.08 -0.10 0.00 0.00 175.22 174.68 2x5y s VAL 878 N 1.15 4.86 -0.08 -0.44 1.01 0.92 -0.85 120.40 126.98 2x5y s VAL 878 Ca -0.01 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.01 2x5y s VAL 878 Cb -0.14 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 2x5y s VAL 878 CO -0.07 0.35 -0.18 -0.63 0.00 0.00 0.00 175.10 174.57 2x5y s ILE 879 N 1.26 2.69 -0.80 2.22 -1.09 -0.37 -1.78 121.20 123.33 2x5y s ILE 879 Ca 0.06 -0.83 0.07 0.00 -2.23 0.00 0.00 60.65 57.72 2x5y s ILE 879 Cb -0.14 -2.06 0.10 0.00 -1.58 0.00 0.00 42.46 38.78 2x5y s ILE 879 CO 0.05 0.56 0.85 0.49 -1.23 0.00 0.00 174.94 175.67 2x5y n PHE 880 N 2.95 0.09 -3.88 3.97 3.72 -1.26 -0.74 117.46 122.31 2x5y n PHE 880 Ca -0.18 -0.15 -0.14 0.00 -0.05 0.00 0.00 57.45 56.94 2x5y n PHE 880 Cb 0.52 -0.01 -0.15 0.00 -0.94 0.00 0.00 39.48 38.90 2x5y n PHE 880 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2x5y s GLN 881 N -0.71 0.07 0.32 -1.08 -0.21 -1.26 -5.02 119.66 111.77 2x5y s GLN 881 Ca 0.10 0.04 0.03 0.00 0.02 0.00 0.00 55.36 55.55 2x5y s GLN 881 Cb 0.06 -0.18 0.53 0.00 1.00 0.00 0.00 33.01 34.43 2x5y s GLN 881 CO 0.09 -0.05 1.85 0.87 -2.12 0.00 0.00 175.29 175.93 2x5y h LYS 882 N 6.60 0.61 0.00 2.91 1.57 -1.93 -2.89 116.57 123.44 2x5y h LYS 882 Ca -0.33 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2x5y h LYS 882 Cb 1.17 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2x5y h LYS 882 CO 0.50 0.62 0.00 -0.40 -0.57 0.00 0.00 179.45 179.59 2x5y n ASP 883 N -4.27 0.00 -0.15 0.86 5.75 -1.26 -1.21 116.55 116.28 2x5y n ASP 883 Ca 0.02 0.02 0.11 0.00 -0.01 0.00 0.00 54.79 54.93 2x5y n ASP 883 Cb 0.25 -0.28 0.60 0.00 -1.03 0.00 0.00 41.12 40.66 2x5y n ASP 883 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2x5y n GLN 884 N -1.28 1.19 -4.37 0.11 6.02 -1.09 -4.09 117.38 113.88 2x5y n GLN 884 Ca 0.09 -0.29 -0.19 0.00 -0.01 0.00 0.00 57.00 56.59 2x5y n GLN 884 Cb 0.14 -1.37 -0.15 0.00 1.02 0.00 0.00 30.24 29.88 2x5y n GLN 884 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2x5y s VAL 885 N -1.96 0.73 -0.21 5.09 1.01 -0.35 -0.52 120.40 124.20 2x5y s VAL 885 Ca 0.34 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 2x5y s VAL 885 Cb 0.16 -0.63 0.06 0.00 0.00 0.00 0.00 36.38 35.97 2x5y s VAL 885 CO 0.27 0.22 -0.02 -0.47 0.00 0.00 0.00 175.10 175.09 2x5y s TYR 886 N -0.04 1.78 0.15 5.22 5.04 0.17 -4.82 117.35 124.85 2x5y s TYR 886 Ca 0.01 -1.31 -0.31 0.00 -2.44 0.00 0.00 57.07 53.01 2x5y s TYR 886 Cb -0.06 -1.33 -0.11 0.00 0.35 0.00 0.00 41.96 40.82 2x5y s TYR 886 CO -0.00 -0.69 1.74 -2.14 -1.34 0.00 0.00 175.55 173.13 2x5y s PRO 887 N 1.61 4.15 -0.01 4.97 0.02 -1.26 -0.89 135.00 143.58 2x5y s PRO 887 Ca -0.03 2.54 -0.00 0.00 0.02 0.00 0.00 61.00 63.53 2x5y s PRO 887 Cb -0.18 -3.36 -0.00 0.00 0.02 0.00 0.00 34.50 30.98 2x5y s PRO 887 CO -0.07 -0.77 -0.01 0.94 -0.33 0.00 0.00 177.00 176.76 2x5y n GLN 888 N 4.88 0.02 -4.07 5.54 -0.06 -0.23 -4.71 117.38 118.74 2x5y n GLN 888 Ca 0.16 0.01 -0.10 0.00 -2.00 0.00 0.00 57.00 55.07 2x5y n GLN 888 Cb 0.37 -0.88 -0.11 0.00 -4.06 0.00 0.00 30.24 25.57 2x5y n GLN 888 CO 0.00 0.00 0.00 0.71 -0.20 0.00 0.00 177.06 177.57 2x5y s TYR 889 N -2.01 0.60 -0.09 3.69 2.02 -0.53 -0.91 117.35 120.10 2x5y s TYR 889 Ca -0.01 -0.73 0.02 0.00 -0.37 0.00 0.00 57.07 55.99 2x5y s TYR 889 Cb 0.00 -0.38 0.01 0.00 -0.40 0.00 0.00 41.96 41.20 2x5y s TYR 889 CO 0.02 -0.19 -0.16 0.08 -1.57 0.00 0.00 175.55 173.73 2x5y s VAL 890 N -2.47 1.51 -0.18 0.71 1.01 -0.04 -0.85 120.40 120.10 2x5y s VAL 890 Ca -0.03 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 2x5y s VAL 890 Cb -0.03 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 2x5y s VAL 890 CO -0.03 0.44 -0.07 -0.63 0.00 0.00 0.00 175.10 174.81 2x5y s ILE 891 N 0.74 3.43 -0.14 2.22 1.01 0.34 -1.11 121.20 127.68 2x5y s ILE 891 Ca -0.12 -0.50 -0.11 0.00 0.00 0.00 0.00 60.65 59.92 2x5y s ILE 891 Cb -0.16 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 2x5y s ILE 891 CO 0.02 0.47 0.21 -1.61 0.00 0.00 0.00 174.94 174.04 2x5y s GLU 892 N 0.87 3.94 0.10 2.79 0.41 -0.33 -1.13 118.70 125.35 2x5y s GLU 892 Ca -0.02 -0.03 -0.14 0.00 -0.41 0.00 0.00 54.97 54.38 2x5y s GLU 892 Cb -0.15 -3.32 0.02 0.00 -1.78 0.00 0.00 34.13 28.90 2x5y s GLU 892 CO 0.01 0.48 0.33 1.52 -0.49 0.00 0.00 175.26 177.11 2x5y s TYR 893 N -0.22 -0.09 0.14 1.61 -0.85 -1.26 -0.10 117.35 116.57 2x5y s TYR 893 Ca 0.14 -0.23 -0.00 0.00 -0.52 0.00 0.00 57.07 56.46 2x5y s TYR 893 Cb -0.13 0.15 -0.04 0.00 0.38 0.00 0.00 41.96 42.32 2x5y s TYR 893 CO 0.03 -0.63 0.04 0.95 -1.52 0.00 0.00 175.55 174.42 2x5y s THR 894 N -3.63 0.28 0.60 -3.49 -4.23 -0.28 -4.89 115.64 100.01 2x5y s THR 894 Ca 0.02 -1.93 -0.20 0.00 -1.18 0.00 0.00 61.69 58.41 2x5y s THR 894 Cb 0.02 -2.05 -0.03 0.00 1.34 0.00 0.00 72.50 71.79 2x5y s THR 894 CO -0.10 -0.49 1.33 -1.61 -0.54 0.00 0.00 174.62 173.21 2x5y s GLU 895 N -4.00 2.83 0.00 3.99 2.02 -1.26 -0.34 118.70 121.94 2x5y s GLU 895 Ca 0.23 2.17 0.00 0.00 0.02 0.00 0.00 54.97 57.39 2x5y s GLU 895 Cb 0.07 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 32.25 2x5y s GLU 895 CO 0.02 -1.41 0.00 -3.47 0.02 0.00 0.00 175.26 170.42