#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y9r h PRO 738 N 0.00 0.00 -0.06 4.33 0.11 -2.00 -2.70 132.00 131.68 1y9r h PRO 738 Ca 0.00 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.15 1y9r h PRO 738 Cb 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.05 1y9r h PRO 738 CO 0.00 0.00 -0.34 -0.39 -0.21 0.00 0.00 178.00 177.06 1y9r h VAL 739 N 0.00 0.27 0.00 3.15 -1.51 -2.00 0.53 116.25 116.69 1y9r h VAL 739 Ca 0.07 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.54 1y9r h VAL 739 Cb 0.50 0.27 0.00 0.00 -2.13 0.00 0.00 31.29 29.93 1y9r h VAL 739 CO -0.00 0.00 0.00 0.23 -1.23 0.00 0.00 177.57 176.57 1y9r n MET 740 N -5.42 0.99 0.06 5.19 2.81 -1.02 -3.49 117.12 116.24 1y9r n MET 740 Ca -0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 1y9r n MET 740 Cb 0.33 -1.24 0.00 0.00 -0.71 0.00 0.00 33.22 31.61 1y9r n MET 740 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1y9r n VAL 741 N 0.27 0.17 -0.01 2.03 0.31 -0.41 -4.73 118.33 115.96 1y9r n VAL 741 Ca 0.00 0.06 0.22 0.00 -0.01 0.00 0.00 64.34 64.60 1y9r n VAL 741 Cb 0.38 -0.80 0.71 0.00 -0.91 0.00 0.00 33.84 33.22 1y9r n VAL 741 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1y9r h LEU 742 N 0.00 0.00 -0.25 7.52 3.38 -0.08 0.22 115.31 126.10 1y9r h LEU 742 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1y9r h LEU 742 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1y9r h LEU 742 CO 0.00 0.00 -0.89 -0.08 0.09 0.00 0.00 178.44 177.56 1y9r h GLU 743 N 0.00 0.24 0.08 1.13 4.22 -1.78 -2.37 114.58 116.11 1y9r h GLU 743 Ca 0.27 -0.27 -0.26 0.00 0.08 0.00 0.00 59.36 59.19 1y9r h GLU 743 Cb 1.12 0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.45 1y9r h GLU 743 CO -0.00 0.99 -1.12 -0.97 -2.18 0.00 0.00 179.01 175.72 1y9r h ASN 744 N 0.13 0.50 1.51 1.04 -1.24 -0.95 -3.32 115.58 113.27 1y9r h ASN 744 Ca -0.05 -0.47 -0.05 0.00 0.71 0.00 0.00 56.30 56.44 1y9r h ASN 744 Cb 1.53 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 40.41 1y9r h ASN 744 CO 0.14 1.32 -0.50 0.16 -1.29 0.00 0.00 177.43 177.26 1y9r h ILE 745 N 0.15 0.28 -0.14 2.57 3.07 -1.14 -3.46 117.51 118.84 1y9r h ILE 745 Ca -0.12 -1.43 -0.61 0.00 1.55 0.00 0.00 64.86 64.25 1y9r h ILE 745 Cb 1.80 2.01 -0.06 0.00 -0.27 0.00 0.00 36.82 40.30 1y9r h ILE 745 CO 0.19 0.16 1.57 1.21 -1.05 0.00 0.00 178.15 180.23 1y9r n GLU 746 N -3.02 0.11 -1.13 0.16 4.07 -0.89 -4.79 120.64 115.16 1y9r n GLU 746 Ca 0.01 0.02 -0.36 0.00 -0.06 0.00 0.00 57.16 56.77 1y9r n GLU 746 Cb 0.62 -1.65 0.00 0.00 -0.06 0.00 0.00 31.44 30.36 1y9r n GLU 746 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1y9r n PRO 747 N 8.12 0.00 -3.11 5.31 -0.04 -1.26 -4.98 135.00 139.04 1y9r n PRO 747 Ca 0.59 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.73 1y9r n PRO 747 Cb 0.04 -0.88 -0.06 0.00 -0.04 0.00 0.00 33.50 32.56 1y9r n PRO 747 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1y9r s GLU 748 N -0.88 4.01 0.11 0.54 0.41 -1.26 -5.03 118.70 116.60 1y9r s GLU 748 Ca 0.51 0.69 -0.31 0.00 -0.41 0.00 0.00 54.97 55.46 1y9r s GLU 748 Cb -0.51 -2.41 -0.07 0.00 -1.78 0.00 0.00 34.13 29.35 1y9r s GLU 748 CO 0.56 0.14 1.33 0.42 -0.49 0.00 0.00 175.26 177.22 1y9r s ILE 749 N -2.01 3.49 0.05 -1.63 1.09 -1.26 -5.02 121.20 115.92 1y9r s ILE 749 Ca 0.55 1.09 0.06 0.00 -1.10 0.00 0.00 60.65 61.25 1y9r s ILE 749 Cb -0.10 -3.70 -0.04 0.00 -1.06 0.00 0.00 42.46 37.57 1y9r s ILE 749 CO 0.17 0.10 -0.12 0.68 -0.10 0.00 0.00 174.94 175.66 1y9r s VAL 750 N 0.96 3.21 0.37 2.92 -7.23 -1.26 -5.03 120.40 114.33 1y9r s VAL 750 Ca 0.62 -1.12 -0.26 0.00 -1.81 0.00 0.00 61.98 59.42 1y9r s VAL 750 Cb -0.35 -2.42 -0.09 0.00 0.56 0.00 0.00 36.38 34.08 1y9r s VAL 750 CO 0.31 0.27 1.08 -0.31 -0.31 0.00 0.00 175.10 176.14 1y9r s TYR 751 N -1.05 3.32 -0.00 2.82 1.51 -1.26 -4.39 117.35 118.30 1y9r s TYR 751 Ca 0.18 1.65 -0.22 0.00 -1.01 0.00 0.00 57.07 57.66 1y9r s TYR 751 Cb -0.11 -3.21 -0.19 0.00 -0.11 0.00 0.00 41.96 38.34 1y9r s TYR 751 CO 0.09 -0.72 1.20 0.00 -1.11 0.00 0.00 175.55 175.01 1y9r h ALA 752 N 2.86 0.12 -0.21 3.71 0.00 -1.92 -3.48 119.26 120.35 1y9r h ALA 752 Ca -0.48 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1y9r h ALA 752 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1y9r h ALA 752 CO 0.63 0.09 0.00 0.41 0.00 0.00 0.00 179.25 180.39 1y9r n GLY 753 N 0.60 0.78 2.70 0.00 0.00 -1.26 -4.31 105.19 103.70 1y9r n GLY 753 Ca -0.08 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 1y9r n GLY 753 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1y9r s TYR 754 N -2.07 0.03 -0.19 1.61 -0.00 -1.26 -4.96 117.35 110.51 1y9r s TYR 754 Ca 0.00 0.27 -0.29 0.00 -0.00 0.00 0.00 57.07 57.05 1y9r s TYR 754 Cb 0.00 -0.42 -0.02 0.00 -0.00 0.00 0.00 41.96 41.52 1y9r s TYR 754 CO 0.00 -0.18 1.42 -0.51 -0.00 0.00 0.00 175.55 176.27 1y9r s ASP 755 N 1.99 6.71 0.00 -0.18 -0.00 -1.26 -4.81 116.67 119.12 1y9r s ASP 755 Ca 0.02 1.66 0.00 0.00 -0.00 0.00 0.00 52.55 54.23 1y9r s ASP 755 Cb -0.12 -2.54 0.00 0.00 -0.00 0.00 0.00 42.92 40.26 1y9r s ASP 755 CO -0.03 -0.97 0.77 -1.20 -0.00 0.00 0.00 175.17 173.74 1y9r n SER 756 N 7.33 0.37 0.01 0.27 7.64 -1.26 -1.38 113.62 126.60 1y9r n SER 756 Ca 0.16 -1.91 0.11 0.00 1.01 0.00 0.00 58.87 58.23 1y9r n SER 756 Cb 0.45 -0.19 -0.10 0.00 -1.01 0.00 0.00 64.21 63.36 1y9r n SER 756 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1y9r n SER 757 N -0.30 0.52 -4.67 6.43 3.41 -1.26 -4.83 113.62 112.93 1y9r n SER 757 Ca 0.00 -0.40 -0.43 0.00 -0.26 0.00 0.00 58.87 57.79 1y9r n SER 757 Cb 0.09 1.31 -0.02 0.00 -0.26 0.00 0.00 64.21 65.33 1y9r n SER 757 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1y9r s LYS 758 N -3.25 4.34 0.07 4.33 -0.14 -0.48 -4.95 119.74 119.66 1y9r s LYS 758 Ca 0.01 1.38 -0.36 0.00 -1.36 0.00 0.00 55.97 55.63 1y9r s LYS 758 Cb 0.15 -3.59 -0.19 0.00 -1.68 0.00 0.00 37.83 32.52 1y9r s LYS 758 CO 0.86 -0.48 0.98 -0.35 -0.76 0.00 0.00 175.35 175.60 1y9r n PRO 759 N 5.71 0.23 -1.77 -1.68 -0.04 -1.26 -4.80 135.00 131.39 1y9r n PRO 759 Ca 0.10 0.08 -0.42 0.00 -0.04 0.00 0.00 63.50 63.23 1y9r n PRO 759 Cb 0.47 -1.48 -0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1y9r n PRO 759 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1y9r n ASP 760 N 1.75 4.38 -4.94 3.54 9.92 -1.26 -4.59 116.55 125.35 1y9r n ASP 760 Ca 0.19 -2.85 -0.20 0.00 -0.53 0.00 0.00 54.79 51.40 1y9r n ASP 760 Cb 0.15 -1.63 -0.02 0.00 -0.64 0.00 0.00 41.12 38.98 1y9r n ASP 760 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1y9r s THR 761 N 2.79 3.88 0.15 -3.53 -4.23 -1.26 -4.90 115.64 108.54 1y9r s THR 761 Ca 0.48 -1.14 -0.30 0.00 -1.18 0.00 0.00 61.69 59.56 1y9r s THR 761 Cb 0.14 -3.33 -0.04 0.00 1.34 0.00 0.00 72.50 70.61 1y9r s THR 761 CO -0.08 -0.16 1.56 0.00 -0.54 0.00 0.00 174.62 175.40 1y9r h ALA 762 N 1.03 -0.57 -0.29 3.99 0.00 -1.91 0.33 119.26 121.83 1y9r h ALA 762 Ca -0.45 0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.58 1y9r h ALA 762 Cb 1.25 1.03 -0.01 0.00 0.00 0.00 0.00 17.79 20.06 1y9r h ALA 762 CO 0.55 -0.95 0.41 1.05 0.00 0.00 0.00 179.25 180.31 1y9r h GLU 763 N -0.33 0.00 0.16 0.00 4.11 -1.84 -1.95 114.58 114.72 1y9r h GLU 763 Ca 0.12 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.21 1y9r h GLU 763 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1y9r h GLU 763 CO -0.62 0.00 -1.70 -0.91 0.07 0.00 0.00 179.01 175.85 1y9r h ASN 764 N 0.00 0.52 0.08 3.06 2.35 -0.65 -3.35 115.58 117.59 1y9r h ASN 764 Ca 0.14 -0.79 -0.00 0.00 -0.55 0.00 0.00 56.30 55.10 1y9r h ASN 764 Cb 0.95 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.15 1y9r h ASN 764 CO -0.00 1.66 -0.04 -0.07 -1.65 0.00 0.00 177.43 177.33 1y9r h LEU 765 N 0.09 -0.09 -0.97 1.61 4.07 -0.47 -3.20 115.31 116.35 1y9r h LEU 765 Ca -0.32 0.00 0.31 0.00 0.08 0.00 0.00 57.88 57.96 1y9r h LEU 765 Cb 2.07 0.02 -0.17 0.00 1.08 0.00 0.00 40.66 43.66 1y9r h LEU 765 CO 0.17 -0.01 0.29 -0.07 -1.08 0.00 0.00 178.44 177.74 1y9r h LEU 766 N -0.22 -0.01 -0.73 1.67 3.38 -1.77 1.10 115.31 118.73 1y9r h LEU 766 Ca -0.01 0.24 0.06 0.00 0.09 0.00 0.00 57.88 58.26 1y9r h LEU 766 Cb 0.08 0.33 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1y9r h LEU 766 CO 0.02 -0.31 0.42 -1.28 0.09 0.00 0.00 178.44 177.38 1y9r h SER 767 N 0.09 0.65 -0.21 -0.43 0.87 -1.70 -0.50 113.55 112.31 1y9r h SER 767 Ca 0.68 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 61.19 1y9r h SER 767 Cb 1.56 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.39 1y9r h SER 767 CO -0.78 0.42 -0.11 0.74 -0.53 0.00 0.00 176.83 176.57 1y9r h THR 768 N 0.78 1.24 0.30 2.23 2.02 0.12 -1.73 112.91 117.87 1y9r h THR 768 Ca 0.32 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 1y9r h THR 768 Cb 0.17 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1y9r h THR 768 CO -0.18 0.35 -0.14 -0.07 0.37 0.00 0.00 175.52 175.85 1y9r h LEU 769 N 0.55 -0.34 -0.41 2.58 3.38 -0.13 -0.73 115.31 120.21 1y9r h LEU 769 Ca 0.10 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 57.97 1y9r h LEU 769 Cb 0.51 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.27 1y9r h LEU 769 CO 0.03 0.12 -0.12 0.78 0.09 0.00 0.00 178.44 179.34 1y9r h ASN 770 N -0.94 -0.44 -0.81 -0.43 2.35 -1.18 0.56 115.58 114.70 1y9r h ASN 770 Ca -0.04 0.13 0.17 0.00 -0.55 0.00 0.00 56.30 56.01 1y9r h ASN 770 Cb 0.50 0.28 -0.11 0.00 0.05 0.00 0.00 38.32 39.04 1y9r h ASN 770 CO 0.07 -0.16 0.32 -0.09 -1.65 0.00 0.00 177.43 175.92 1y9r h ARG 771 N -0.03 0.41 -0.60 0.81 2.43 -1.33 0.47 114.38 116.54 1y9r h ARG 771 Ca 0.20 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1y9r h ARG 771 Cb 0.33 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 1y9r h ARG 771 CO -0.43 0.27 0.26 1.25 -1.51 0.00 0.00 179.97 179.81 1y9r h LEU 772 N 0.42 0.81 -0.37 3.80 6.46 0.13 -2.61 115.31 123.95 1y9r h LEU 772 Ca 0.47 -0.15 0.01 0.00 -0.12 0.00 0.00 57.88 58.08 1y9r h LEU 772 Cb 0.78 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.48 1y9r h LEU 772 CO -0.46 0.74 0.24 0.00 -0.62 0.00 0.00 178.44 178.34 1y9r h ALA 773 N 1.10 0.47 -0.97 1.25 0.00 0.42 0.85 119.26 122.39 1y9r h ALA 773 Ca 0.20 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.22 1y9r h ALA 773 Cb 0.16 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 1y9r h ALA 773 CO -0.02 -0.09 0.61 0.78 0.00 0.00 0.00 179.25 180.54 1y9r h GLY 774 N 0.48 1.51 0.94 0.00 0.00 -0.29 0.20 103.07 105.91 1y9r h GLY 774 Ca 0.14 -0.39 -0.16 0.00 0.00 0.00 0.00 47.33 46.92 1y9r h GLY 774 CO -0.04 0.15 -0.55 0.50 0.00 0.00 0.00 176.54 176.60 1y9r h LYS 775 N 0.92 0.58 0.00 4.80 1.57 -1.00 -3.05 116.57 120.40 1y9r h LYS 775 Ca 0.48 -0.47 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1y9r h LYS 775 Cb 0.53 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 1y9r h LYS 775 CO -0.24 1.09 -0.10 1.96 -0.57 0.00 0.00 179.45 181.58 1y9r h GLN 776 N 0.21 0.00 0.00 3.15 4.20 0.07 -1.87 115.11 120.88 1y9r h GLN 776 Ca -0.03 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 1y9r h GLN 776 Cb 1.19 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.96 1y9r h GLN 776 CO 0.11 0.10 -0.27 1.98 -0.67 0.00 0.00 178.83 180.09 1y9r h MET 777 N 0.00 0.00 -0.03 1.46 4.05 -0.53 -1.45 114.93 118.43 1y9r h MET 777 Ca -0.00 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1y9r h MET 777 Cb 0.28 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.08 1y9r h MET 777 CO 0.01 0.27 0.01 0.82 0.23 0.00 0.00 176.91 178.26 1y9r h ILE 778 N 0.00 1.13 -0.04 1.77 2.04 -1.38 -2.42 117.51 118.62 1y9r h ILE 778 Ca -0.00 -0.39 -0.06 0.00 1.00 0.00 0.00 64.86 65.41 1y9r h ILE 778 Cb 0.66 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1y9r h ILE 778 CO 0.04 0.11 -0.25 1.56 0.00 0.00 0.00 178.15 179.60 1y9r h GLN 779 N -0.11 0.07 0.19 2.37 4.20 -1.58 -2.37 115.11 117.87 1y9r h GLN 779 Ca 0.01 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.71 1y9r h GLN 779 Cb 0.16 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1y9r h GLN 779 CO -0.00 0.32 -0.21 0.28 -0.67 0.00 0.00 178.83 178.55 1y9r h VAL 780 N 0.06 0.55 -0.25 -0.54 2.07 -0.78 0.91 116.25 118.27 1y9r h VAL 780 Ca 0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 1y9r h VAL 780 Cb 0.48 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1y9r h VAL 780 CO 0.03 0.00 0.04 -0.37 0.02 0.00 0.00 177.57 177.29 1y9r h VAL 781 N -0.44 1.23 -0.55 2.57 -1.51 -1.37 0.22 116.25 116.40 1y9r h VAL 781 Ca 0.00 -0.78 0.16 0.00 -1.23 0.00 0.00 66.70 64.85 1y9r h VAL 781 Cb 0.42 1.27 -0.02 0.00 -2.13 0.00 0.00 31.29 30.82 1y9r h VAL 781 CO -0.06 0.25 0.48 0.50 -1.23 0.00 0.00 177.57 177.51 1y9r h LYS 782 N 0.21 0.00 0.02 5.19 3.64 -1.24 -0.49 116.57 123.90 1y9r h LYS 782 Ca 0.07 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1y9r h LYS 782 Cb 0.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1y9r h LYS 782 CO 0.01 0.00 -0.01 2.35 -2.27 0.00 0.00 179.45 179.53 1y9r h TRP 783 N 0.00 -0.02 -0.18 1.91 7.01 0.32 -3.36 115.95 121.63 1y9r h TRP 783 Ca 0.26 -0.00 -0.11 0.00 2.11 0.00 0.00 58.89 61.15 1y9r h TRP 783 Cb 1.22 0.01 -0.05 0.00 -2.10 0.00 0.00 29.16 28.23 1y9r h TRP 783 CO 0.00 0.50 0.14 0.00 -2.79 0.00 0.00 178.44 176.29 1y9r n ALA 784 N -2.68 4.02 0.00 2.65 0.00 0.65 -3.34 120.51 121.81 1y9r n ALA 784 Ca -0.05 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1y9r n ALA 784 Cb 0.25 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1y9r n ALA 784 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1y9r n LYS 785 N 0.83 2.38 -0.45 0.00 2.85 -0.72 -4.67 118.16 118.38 1y9r n LYS 785 Ca 0.11 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.43 1y9r n LYS 785 Cb 0.58 -0.87 0.22 0.00 -0.65 0.00 0.00 35.03 34.31 1y9r n LYS 785 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1y9r n VAL 786 N -1.41 2.27 -2.82 0.58 0.31 -1.21 -4.63 118.33 111.42 1y9r n VAL 786 Ca 0.00 -2.20 -0.40 0.00 -0.01 0.00 0.00 64.34 61.73 1y9r n VAL 786 Cb 0.22 -0.27 -0.05 0.00 -0.91 0.00 0.00 33.84 32.83 1y9r n VAL 786 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1y9r s LEU 787 N -2.95 4.55 0.31 7.52 2.96 -1.24 -4.96 118.68 124.87 1y9r s LEU 787 Ca 0.41 1.76 -0.29 0.00 -0.22 0.00 0.00 54.13 55.79 1y9r s LEU 787 Cb 0.34 -3.49 -0.13 0.00 0.50 0.00 0.00 46.19 43.42 1y9r s LEU 787 CO 0.05 0.06 1.33 -2.65 -1.32 0.00 0.00 176.35 173.82 1y9r n PRO 788 N 2.20 2.13 0.00 0.98 -0.02 -1.26 -1.63 135.00 137.39 1y9r n PRO 788 Ca -0.01 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1y9r n PRO 788 Cb 0.49 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1y9r n PRO 788 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y9r n GLY 789 N 1.18 0.27 0.29 -1.23 0.00 -1.26 -4.41 105.19 100.03 1y9r n GLY 789 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 1y9r n GLY 789 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1y9r h PHE 790 N 0.00 0.74 0.00 1.61 3.57 -1.96 -2.60 116.94 118.30 1y9r h PHE 790 Ca 0.00 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1y9r h PHE 790 Cb 0.00 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.53 1y9r h PHE 790 CO 0.00 0.68 0.00 0.36 -2.23 0.00 0.00 178.31 177.12 1y9r n LYS 791 N -4.25 0.36 0.01 1.11 2.85 -0.65 -2.86 118.16 114.73 1y9r n LYS 791 Ca 0.03 0.07 0.11 0.00 -1.05 0.00 0.00 58.31 57.46 1y9r n LYS 791 Cb 0.26 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 33.15 1y9r n LYS 791 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1y9r n ASN 792 N -1.26 0.65 -4.86 -5.58 5.03 -0.98 -4.92 115.26 103.34 1y9r n ASN 792 Ca 0.11 -0.39 -0.31 0.00 0.87 0.00 0.00 54.58 54.86 1y9r n ASN 792 Cb 0.17 0.84 0.00 0.00 -1.02 0.00 0.00 39.78 39.78 1y9r n ASN 792 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1y9r s LEU 793 N -3.62 3.31 0.28 3.41 1.43 -1.13 -4.98 118.68 117.39 1y9r s LEU 793 Ca 0.05 1.49 -0.28 0.00 -1.03 0.00 0.00 54.13 54.35 1y9r s LEU 793 Cb 0.15 -4.48 -0.14 0.00 0.03 0.00 0.00 46.19 41.75 1y9r s LEU 793 CO 0.81 -0.88 1.06 -0.81 0.23 0.00 0.00 176.35 176.76 1y9r n PRO 794 N -2.51 1.43 0.11 1.29 -0.04 -1.26 -4.74 135.00 129.28 1y9r n PRO 794 Ca 0.06 0.50 0.20 0.00 -0.04 0.00 0.00 63.50 64.22 1y9r n PRO 794 Cb 0.54 -1.91 0.76 0.00 -0.04 0.00 0.00 33.50 32.85 1y9r n PRO 794 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1y9r h LEU 795 N 2.21 0.00 -0.08 1.53 5.85 -1.94 -0.66 115.31 122.23 1y9r h LEU 795 Ca -0.41 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 1y9r h LEU 795 Cb 1.33 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.36 1y9r h LEU 795 CO 0.62 0.00 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.37 1y9r h GLU 796 N 0.00 0.15 -0.78 1.25 4.39 -2.01 -2.85 114.58 114.74 1y9r h GLU 796 Ca 0.17 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.78 1y9r h GLU 796 Cb 0.97 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.58 1y9r h GLU 796 CO -0.00 0.47 0.33 -0.44 -1.16 0.00 0.00 179.01 178.21 1y9r h ASP 797 N -0.18 1.05 0.25 1.42 5.19 -1.47 -2.12 116.42 120.56 1y9r h ASP 797 Ca 0.02 -0.16 0.01 0.00 -0.62 0.00 0.00 57.03 56.28 1y9r h ASP 797 Cb 0.41 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 39.63 1y9r h ASP 797 CO 0.01 0.92 -0.33 1.56 -3.12 0.00 0.00 179.24 178.28 1y9r h GLN 798 N 1.11 -0.61 -0.25 3.56 4.20 -1.41 0.33 115.11 122.04 1y9r h GLN 798 Ca 0.26 0.04 -0.02 0.00 0.06 0.00 0.00 58.65 59.00 1y9r h GLN 798 Cb 0.18 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1y9r h GLN 798 CO -0.03 -0.41 0.08 0.82 -0.67 0.00 0.00 178.83 178.62 1y9r h ILE 799 N -0.64 1.12 0.47 2.54 2.04 -1.42 -1.31 117.51 120.30 1y9r h ILE 799 Ca -0.00 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 1y9r h ILE 799 Cb 0.61 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1y9r h ILE 799 CO -0.11 0.14 -0.22 0.74 0.00 0.00 0.00 178.15 178.70 1y9r h THR 800 N 0.36 0.36 -0.05 -0.27 2.02 -0.81 -0.56 112.91 113.95 1y9r h THR 800 Ca 0.09 -0.51 0.01 0.00 0.77 0.00 0.00 66.41 66.78 1y9r h THR 800 Cb 0.11 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1y9r h THR 800 CO -0.01 0.06 0.07 -0.07 0.37 0.00 0.00 175.52 175.95 1y9r h LEU 801 N -0.99 0.00 -0.00 2.58 3.38 -0.81 -0.03 115.31 119.44 1y9r h LEU 801 Ca -0.06 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1y9r h LEU 801 Cb 0.58 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.34 1y9r h LEU 801 CO 0.10 0.00 -0.29 0.40 0.09 0.00 0.00 178.44 178.74 1y9r h ILE 802 N 0.00 1.53 -0.73 1.22 2.04 -1.04 -2.89 117.51 117.64 1y9r h ILE 802 Ca 0.02 -1.95 -0.03 0.00 1.00 0.00 0.00 64.86 63.90 1y9r h ILE 802 Cb 0.17 2.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.95 1y9r h ILE 802 CO -0.00 0.54 0.35 1.56 0.00 0.00 0.00 178.15 180.60 1y9r h GLN 803 N -0.44 1.05 0.00 2.37 4.20 0.59 0.15 115.11 123.03 1y9r h GLN 803 Ca -0.04 -0.16 -0.07 0.00 0.06 0.00 0.00 58.65 58.45 1y9r h GLN 803 Cb 1.04 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 1y9r h GLN 803 CO 0.06 0.82 -0.34 1.88 -0.67 0.00 0.00 178.83 180.58 1y9r h TYR 804 N 1.03 0.00 -0.01 2.96 0.05 -1.23 -3.28 116.97 116.48 1y9r h TYR 804 Ca 0.25 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.03 1y9r h TYR 804 Cb 0.12 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.86 1y9r h TYR 804 CO 0.01 0.34 -0.05 -1.13 -1.05 0.00 0.00 178.16 176.27 1y9r n SER 805 N -4.11 1.86 -0.28 3.88 3.41 -1.02 -4.77 113.62 112.59 1y9r n SER 805 Ca -0.02 -1.43 0.04 0.00 -0.26 0.00 0.00 58.87 57.20 1y9r n SER 805 Cb 0.38 0.11 0.12 0.00 -0.26 0.00 0.00 64.21 64.56 1y9r n SER 805 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 1y9r h TRP 806 N 2.15 -0.32 -0.53 7.33 5.08 -0.78 -0.32 115.95 128.55 1y9r h TRP 806 Ca 0.00 0.07 0.02 0.00 1.08 0.00 0.00 58.89 60.06 1y9r h TRP 806 Cb 0.48 0.27 -0.03 0.00 -3.00 0.00 0.00 29.16 26.88 1y9r h TRP 806 CO 0.00 -0.33 0.33 1.98 -1.28 0.00 0.00 178.44 179.14 1y9r h MET 807 N 0.02 0.63 -0.24 0.12 4.05 -1.86 -1.55 114.93 116.11 1y9r h MET 807 Ca 0.40 -0.04 0.05 0.00 -0.28 0.00 0.00 59.70 59.84 1y9r h MET 807 Cb 0.65 -0.14 -0.05 0.00 -0.80 0.00 0.00 31.60 31.26 1y9r h MET 807 CO -0.80 0.42 -0.11 0.00 0.23 0.00 0.00 176.91 176.66 1y9r h LEU 809 N -0.08 -1.13 -1.24 0.00 3.38 -0.69 -1.26 115.31 114.29 1y9r h LEU 809 Ca 0.13 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.22 1y9r h LEU 809 Cb 0.27 0.36 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 1y9r h LEU 809 CO -0.29 -0.57 0.53 -0.07 0.09 0.00 0.00 178.44 178.13 1y9r h LEU 810 N -0.88 0.84 -0.02 1.67 3.38 -1.25 -1.37 115.31 117.70 1y9r h LEU 810 Ca -0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1y9r h LEU 810 Cb 0.74 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1y9r h LEU 810 CO -0.02 0.57 -0.02 0.77 0.09 0.00 0.00 178.44 179.84 1y9r h SER 811 N 0.98 0.04 -0.51 -0.43 4.64 -1.18 -1.43 113.55 115.66 1y9r h SER 811 Ca 0.33 -0.48 0.12 0.00 -0.47 0.00 0.00 61.79 61.28 1y9r h SER 811 Cb 0.08 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.13 1y9r h SER 811 CO -0.10 0.52 0.35 0.15 -0.87 0.00 0.00 176.83 176.88 1y9r h PHE 812 N -0.43 0.18 0.00 4.77 3.57 -1.04 0.35 116.94 124.34 1y9r h PHE 812 Ca 0.00 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.38 1y9r h PHE 812 Cb 0.51 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1y9r h PHE 812 CO 0.09 0.08 -0.63 0.00 -2.23 0.00 0.00 178.31 175.63 1y9r h ALA 813 N 1.75 0.66 -0.30 2.41 0.00 -1.07 -2.86 119.26 119.84 1y9r h ALA 813 Ca 0.24 -0.57 -0.18 0.00 0.00 0.00 0.00 54.91 54.39 1y9r h ALA 813 Cb 0.73 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1y9r h ALA 813 CO -0.04 0.79 -0.53 1.25 0.00 0.00 0.00 179.25 180.72 1y9r h LEU 814 N 0.00 0.97 -1.09 0.00 5.85 0.77 -2.41 115.31 119.40 1y9r h LEU 814 Ca -0.01 -0.52 -0.04 0.00 0.84 0.00 0.00 57.88 58.16 1y9r h LEU 814 Cb 1.38 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 1y9r h LEU 814 CO 0.08 1.32 0.21 0.77 -0.34 0.00 0.00 178.44 180.48 1y9r h SER 815 N 0.68 0.79 0.39 1.25 4.64 -1.14 -1.36 113.55 118.81 1y9r h SER 815 Ca 0.02 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.21 1y9r h SER 815 Cb 1.14 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1y9r h SER 815 CO 0.12 0.72 -0.19 -0.25 -0.87 0.00 0.00 176.83 176.37 1y9r h TRP 816 N 0.85 -0.49 -0.94 4.77 2.91 -1.27 0.47 115.95 122.24 1y9r h TRP 816 Ca 0.20 -0.01 0.15 0.00 1.13 0.00 0.00 58.89 60.36 1y9r h TRP 816 Cb 0.20 0.16 -0.08 0.00 -0.51 0.00 0.00 29.16 28.93 1y9r h TRP 816 CO 0.01 -0.31 0.60 0.00 -1.03 0.00 0.00 178.44 177.72 1y9r h ARG 817 N -0.54 0.74 -0.18 2.65 3.08 -1.46 2.80 114.38 121.47 1y9r h ARG 817 Ca -0.05 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1y9r h ARG 817 Cb 0.41 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1y9r h ARG 817 CO 0.09 0.49 0.05 0.77 -1.07 0.00 0.00 179.97 180.30 1y9r h SER 818 N 0.76 0.27 -0.58 7.04 0.02 -1.17 -1.22 113.55 118.67 1y9r h SER 818 Ca 0.48 -0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 61.14 1y9r h SER 818 Cb 0.72 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 1y9r h SER 818 CO -0.25 0.42 0.05 0.22 -1.14 0.00 0.00 176.83 176.13 1y9r h TYR 819 N 0.11 1.07 0.00 3.45 3.20 0.18 1.41 116.97 126.39 1y9r h TYR 819 Ca 0.06 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.76 1y9r h TYR 819 Cb 0.25 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.23 1y9r h TYR 819 CO 0.01 0.94 0.00 1.17 -1.64 0.00 0.00 178.16 178.64 1y9r n LYS 820 N -4.27 0.00 -0.39 1.82 0.00 0.92 -1.90 118.16 114.33 1y9r n LYS 820 Ca 0.03 0.00 0.32 0.00 0.00 0.00 0.00 58.31 58.66 1y9r n LYS 820 Cb 0.30 -0.07 0.59 0.00 0.00 0.00 0.00 35.03 35.85 1y9r n LYS 820 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1y9r h HIS 821 N 0.00 0.68 -0.06 5.64 -0.00 -1.44 -2.45 115.15 117.52 1y9r h HIS 821 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1y9r h HIS 821 Cb 0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 27.24 1y9r h HIS 821 CO 0.00 -0.24 0.00 -2.37 -0.00 0.00 0.00 177.93 175.32 1y9r n THR 822 N -4.88 0.76 -2.59 2.45 5.66 -1.17 -4.99 114.28 109.53 1y9r n THR 822 Ca 0.36 -0.88 -0.18 0.00 -3.05 0.00 0.00 64.05 60.30 1y9r n THR 822 Cb 1.28 0.63 0.01 0.00 -1.55 0.00 0.00 70.33 70.70 1y9r n THR 822 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1y9r n ASN 823 N -0.17 -5.14 0.00 1.09 4.13 -0.80 -3.83 115.26 110.54 1y9r n ASN 823 Ca 0.02 -0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.16 1y9r n ASN 823 Cb 0.24 -4.11 0.00 0.00 -1.54 0.00 0.00 39.78 34.36 1y9r n ASN 823 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1y9r n SER 824 N -1.46 0.00 -0.06 6.41 7.64 0.48 -4.82 113.62 121.81 1y9r n SER 824 Ca -0.15 0.00 0.25 0.00 1.01 0.00 0.00 58.87 59.98 1y9r n SER 824 Cb 0.63 0.00 0.68 0.00 -1.01 0.00 0.00 64.21 64.50 1y9r n SER 824 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1y9r h GLN 825 N 0.00 0.00 -6.64 1.43 4.15 -1.80 -3.40 115.11 108.85 1y9r h GLN 825 Ca 0.00 0.00 -0.66 0.00 0.77 0.00 0.00 58.65 58.76 1y9r h GLN 825 Cb 0.00 0.00 -0.18 0.00 0.21 0.00 0.00 27.48 27.51 1y9r h GLN 825 CO 0.00 0.00 -0.80 -0.06 -1.93 0.00 0.00 178.83 176.04 1y9r s PHE 826 N -4.64 2.41 -0.56 3.99 0.40 -1.26 -4.88 117.98 113.44 1y9r s PHE 826 Ca -0.04 -0.32 -0.19 0.00 -0.60 0.00 0.00 56.93 55.78 1y9r s PHE 826 Cb 0.17 -1.22 0.08 0.00 0.51 0.00 0.00 43.02 42.56 1y9r s PHE 826 CO 0.58 0.46 0.69 -0.51 0.70 0.00 0.00 175.22 177.14 1y9r s LEU 827 N -2.53 5.17 -1.29 -0.37 1.43 -0.01 -4.58 118.68 116.50 1y9r s LEU 827 Ca 0.20 -1.20 -0.15 0.00 -1.03 0.00 0.00 54.13 51.95 1y9r s LEU 827 Cb -0.09 -2.37 0.11 0.00 0.03 0.00 0.00 46.19 43.88 1y9r s LEU 827 CO 0.10 -1.04 1.71 0.00 0.23 0.00 0.00 176.35 177.35 1y9r n TYR 828 N 6.34 4.43 -0.24 0.29 4.19 -1.26 -1.20 117.16 129.70 1y9r n TYR 828 Ca -0.08 -3.04 -0.07 0.00 3.31 0.00 0.00 57.90 58.02 1y9r n TYR 828 Cb 0.44 -2.39 0.04 0.00 0.49 0.00 0.00 39.34 37.92 1y9r n TYR 828 CO 0.00 0.00 0.00 0.74 0.91 0.00 0.00 176.86 178.51 1y9r h PHE 829 N 6.99 1.06 -1.85 2.98 -1.00 -1.87 -3.40 116.94 119.86 1y9r h PHE 829 Ca 0.41 -0.10 0.14 0.00 2.81 0.00 0.00 57.97 61.24 1y9r h PHE 829 Cb 0.81 -0.31 -0.19 0.00 3.61 0.00 0.00 35.95 39.87 1y9r h PHE 829 CO 1.29 0.85 0.60 0.00 -1.61 0.00 0.00 178.31 179.45 1y9r s ALA 830 N -5.46 -1.92 0.33 2.45 0.00 -1.22 -4.95 121.76 110.99 1y9r s ALA 830 Ca -0.12 1.34 0.10 0.00 0.00 0.00 0.00 51.96 53.28 1y9r s ALA 830 Cb 0.14 -0.09 1.00 0.00 0.00 0.00 0.00 23.12 24.18 1y9r s ALA 830 CO 0.82 -0.55 1.55 -2.30 0.00 0.00 0.00 175.76 175.28 1y9r n PRO 831 N 0.08 -0.07 -0.79 0.00 -0.02 -1.26 0.61 135.00 133.54 1y9r n PRO 831 Ca -0.07 1.43 0.02 0.00 -2.02 0.00 0.00 63.50 62.86 1y9r n PRO 831 Cb 0.60 -2.39 0.31 0.00 -0.02 0.00 0.00 33.50 32.00 1y9r n PRO 831 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1y9r n ASP 832 N -5.37 4.53 -2.82 2.55 5.75 -1.26 -4.58 116.55 115.36 1y9r n ASP 832 Ca 0.29 -3.15 -0.11 0.00 -0.01 0.00 0.00 54.79 51.82 1y9r n ASP 832 Cb 0.98 -0.66 0.04 0.00 -1.03 0.00 0.00 41.12 40.46 1y9r n ASP 832 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1y9r n LEU 833 N -0.18 -0.05 -4.81 -2.12 7.94 0.20 -4.84 117.00 113.13 1y9r n LEU 833 Ca 0.31 -4.00 -0.38 0.00 -1.11 0.00 0.00 56.01 50.83 1y9r n LEU 833 Cb 1.16 0.50 -0.06 0.00 0.53 0.00 0.00 43.42 45.55 1y9r n LEU 833 CO 0.30 1.91 0.22 -0.69 -1.11 0.00 0.00 177.39 178.01 1y9r s VAL 834 N -1.68 4.84 -0.20 1.96 1.01 -1.20 -3.00 120.40 122.13 1y9r s VAL 834 Ca 0.29 1.10 -0.00 0.00 0.00 0.00 0.00 61.98 63.36 1y9r s VAL 834 Cb 0.39 -3.84 0.01 0.00 0.00 0.00 0.00 36.38 32.94 1y9r s VAL 834 CO -0.03 0.55 -0.15 -0.36 0.00 0.00 0.00 175.10 175.11 1y9r s PHE 835 N -1.03 2.86 -0.10 5.22 0.40 -0.34 -4.96 117.98 120.02 1y9r s PHE 835 Ca 0.27 -1.46 -0.05 0.00 -0.60 0.00 0.00 56.93 55.09 1y9r s PHE 835 Cb -0.18 -1.98 -0.02 0.00 0.51 0.00 0.00 43.02 41.35 1y9r s PHE 835 CO 0.17 -0.73 -0.10 -2.95 0.70 0.00 0.00 175.22 172.30 1y9r h ASN 836 N 7.99 0.00 0.00 1.36 -1.07 -1.89 0.01 115.58 121.97 1y9r h ASN 836 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.94 1y9r h ASN 836 Cb 1.14 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.39 1y9r h ASN 836 CO 0.62 0.51 0.00 1.21 0.07 0.00 0.00 177.43 179.84 1y9r n GLU 837 N -3.99 0.00 0.00 4.14 0.00 -1.26 -4.81 120.64 114.72 1y9r n GLU 837 Ca -0.04 0.00 0.08 0.00 0.00 0.00 0.00 57.16 57.20 1y9r n GLU 837 Cb 0.15 0.00 0.47 0.00 0.00 0.00 0.00 31.44 32.06 1y9r n GLU 837 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1y9r n GLU 838 N -0.61 0.64 -0.00 5.31 2.13 -1.26 -1.10 120.64 125.75 1y9r n GLU 838 Ca 0.00 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.83 1y9r n GLU 838 Cb 0.00 -1.39 -0.01 0.00 0.27 0.00 0.00 31.44 30.32 1y9r n GLU 838 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1y9r n LYS 839 N -0.89 4.14 0.00 5.31 3.00 -1.26 -4.63 118.16 123.83 1y9r n LYS 839 Ca 0.12 -0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.57 1y9r n LYS 839 Cb 0.05 -0.73 0.57 0.00 0.00 0.00 0.00 35.03 34.93 1y9r n LYS 839 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1y9r n MET 840 N -1.22 1.02 -0.09 1.64 2.81 -0.26 -3.98 117.12 117.04 1y9r n MET 840 Ca 0.00 -0.46 -0.10 0.00 -1.81 0.00 0.00 57.70 55.33 1y9r n MET 840 Cb 0.02 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.01 1y9r n MET 840 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1y9r n HIS 841 N -0.59 0.11 0.27 2.03 8.25 -1.22 -2.66 115.22 121.42 1y9r n HIS 841 Ca 0.16 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 1y9r n HIS 841 Cb 0.29 -0.57 0.01 0.00 1.12 0.00 0.00 29.99 30.84 1y9r n HIS 841 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1y9r n GLN 842 N -4.46 0.14 0.00 -0.41 1.13 -1.26 0.00 117.38 112.52 1y9r n GLN 842 Ca -0.16 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.01 1y9r n GLN 842 Cb 0.52 -1.03 0.02 0.00 0.11 0.00 0.00 30.24 29.86 1y9r n GLN 842 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1y9r n SER 843 N -0.53 1.91 -2.13 1.08 3.41 -1.26 -3.39 113.62 112.72 1y9r n SER 843 Ca 0.00 -1.44 -0.08 0.00 -0.26 0.00 0.00 58.87 57.08 1y9r n SER 843 Cb 0.00 0.47 -0.01 0.00 -0.26 0.00 0.00 64.21 64.41 1y9r n SER 843 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y9r n ALA 844 N -0.13 -0.65 -1.33 7.33 0.00 0.10 -4.67 120.51 121.16 1y9r n ALA 844 Ca 0.09 0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.63 1y9r n ALA 844 Cb 0.45 -1.12 0.02 0.00 0.00 0.00 0.00 19.45 18.80 1y9r n ALA 844 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1y9r n MET 845 N -2.39 0.54 -0.34 0.00 0.00 -1.26 -4.85 117.12 108.82 1y9r n MET 845 Ca -0.10 -1.15 0.20 0.00 0.00 0.00 0.00 57.70 56.66 1y9r n MET 845 Cb 0.49 -0.71 0.44 0.00 0.00 0.00 0.00 33.22 33.44 1y9r n MET 845 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 1y9r h TYR 846 N 0.00 0.86 -0.49 1.12 3.20 -1.76 0.38 116.97 120.28 1y9r h TYR 846 Ca 0.00 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 1y9r h TYR 846 Cb 1.12 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 39.12 1y9r h TYR 846 CO 0.04 0.05 0.04 0.93 -1.64 0.00 0.00 178.16 177.58 1y9r h GLU 847 N 0.49 0.79 0.14 1.82 4.39 -1.88 -1.07 114.58 119.25 1y9r h GLU 847 Ca 0.63 -0.20 -0.20 0.00 0.34 0.00 0.00 59.36 59.94 1y9r h GLU 847 Cb 1.38 -0.10 0.02 0.00 -0.10 0.00 0.00 28.75 29.95 1y9r h GLU 847 CO -0.40 0.77 -0.89 -0.07 -1.16 0.00 0.00 179.01 177.26 1y9r h LEU 848 N 0.75 0.45 -0.88 1.33 4.07 -0.93 -3.25 115.31 116.84 1y9r h LEU 848 Ca 0.15 -0.94 0.17 0.00 0.08 0.00 0.00 57.88 57.34 1y9r h LEU 848 Cb 0.40 -0.15 -0.10 0.00 1.08 0.00 0.00 40.66 41.89 1y9r h LEU 848 CO 0.01 1.42 0.45 0.00 -1.08 0.00 0.00 178.44 179.24 1y9r h GLN 850 N 0.58 0.57 -0.07 0.00 1.08 -1.25 0.20 115.11 116.23 1y9r h GLN 850 Ca 0.50 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.54 1y9r h GLN 850 Cb 0.78 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.07 1y9r h GLN 850 CO -0.41 0.38 -0.52 0.78 -0.95 0.00 0.00 178.83 178.11 1y9r h GLY 851 N 0.59 0.20 0.36 3.46 0.00 -1.02 -1.48 103.07 105.18 1y9r h GLY 851 Ca 0.34 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 1y9r h GLY 851 CO -0.26 0.20 -0.01 -0.33 0.00 0.00 0.00 176.54 176.15 1y9r h MET 852 N 0.15 0.01 -0.22 4.80 2.86 -0.22 -2.87 114.93 119.43 1y9r h MET 852 Ca 0.00 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.70 1y9r h MET 852 Cb 0.97 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 1y9r h MET 852 CO 0.08 0.66 0.16 1.25 1.06 0.00 0.00 176.91 180.12 1y9r h HIS 853 N -0.64 0.00 -0.26 -0.22 6.17 -0.68 -0.36 115.15 119.16 1y9r h HIS 853 Ca -0.00 0.00 0.04 0.00 0.71 0.00 0.00 60.37 61.12 1y9r h HIS 853 Cb 0.66 0.00 -0.04 0.00 2.52 0.00 0.00 27.41 30.56 1y9r h HIS 853 CO 0.15 0.00 0.04 0.37 0.71 0.00 0.00 177.93 179.21 1y9r h GLN 854 N 0.00 0.13 -0.41 5.26 5.75 -1.09 -1.31 115.11 123.44 1y9r h GLN 854 Ca 0.11 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.63 1y9r h GLN 854 Cb 0.43 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.91 1y9r h GLN 854 CO -0.00 0.09 0.19 0.82 -2.65 0.00 0.00 178.83 177.28 1y9r h ILE 855 N 0.14 0.95 -0.95 2.39 1.08 -0.87 -2.07 117.51 118.18 1y9r h ILE 855 Ca 0.12 -0.13 0.19 0.00 -0.39 0.00 0.00 64.86 64.65 1y9r h ILE 855 Cb 0.13 0.53 -0.11 0.00 -3.07 0.00 0.00 36.82 34.30 1y9r h ILE 855 CO -0.17 0.07 0.52 0.28 -0.69 0.00 0.00 178.15 178.17 1y9r h SER 856 N 0.39 0.62 -0.17 1.72 0.02 -0.72 -0.68 113.55 114.73 1y9r h SER 856 Ca 0.18 0.11 -0.21 0.00 -0.84 0.00 0.00 61.79 61.03 1y9r h SER 856 Cb 0.11 0.02 0.01 0.00 0.14 0.00 0.00 62.40 62.67 1y9r h SER 856 CO -0.14 0.18 -0.70 -0.07 -1.14 0.00 0.00 176.83 174.96 1y9r h LEU 857 N 0.63 0.93 -2.13 5.07 3.38 -0.72 -2.58 115.31 119.88 1y9r h LEU 857 Ca 0.56 -0.57 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1y9r h LEU 857 Cb 0.92 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1y9r h LEU 857 CO -0.42 1.36 0.05 1.56 0.09 0.00 0.00 178.44 181.08 1y9r h GLN 858 N 0.57 0.00 -0.72 1.13 1.08 -0.52 0.53 115.11 117.18 1y9r h GLN 858 Ca -0.03 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.11 1y9r h GLN 858 Cb 1.31 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.71 1y9r h GLN 858 CO 0.15 0.00 0.19 0.74 -0.95 0.00 0.00 178.83 178.96 1y9r h PHE 859 N 0.00 1.19 0.59 2.96 -1.00 -0.85 -2.30 116.94 117.53 1y9r h PHE 859 Ca 0.03 -0.14 -0.03 0.00 2.81 0.00 0.00 57.97 60.64 1y9r h PHE 859 Cb 0.13 -0.34 0.01 0.00 3.61 0.00 0.00 35.95 39.35 1y9r h PHE 859 CO 0.00 0.96 -0.28 0.28 -1.61 0.00 0.00 178.31 177.66 1y9r h VAL 860 N 1.08 0.00 -0.27 -0.55 2.07 0.27 -1.27 116.25 117.59 1y9r h VAL 860 Ca 0.23 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.67 1y9r h VAL 860 Cb 0.35 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.05 1y9r h VAL 860 CO -0.00 0.00 -0.43 0.03 0.02 0.00 0.00 177.57 177.18 1y9r h ARG 861 N -0.93 -0.40 0.00 1.57 3.08 -1.30 0.88 114.38 117.28 1y9r h ARG 861 Ca -0.08 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1y9r h ARG 861 Cb 0.60 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1y9r h ARG 861 CO 0.13 -0.27 0.00 1.28 -1.07 0.00 0.00 179.97 180.04 1y9r n LEU 862 N -5.42 0.33 -3.23 3.04 4.77 -0.87 -4.85 117.00 110.77 1y9r n LEU 862 Ca -0.03 0.62 -0.22 0.00 -0.03 0.00 0.00 56.01 56.36 1y9r n LEU 862 Cb 0.36 -0.63 0.06 0.00 -2.33 0.00 0.00 43.42 40.88 1y9r n LEU 862 CO 0.08 -0.62 0.17 0.00 -1.33 0.00 0.00 177.39 175.68 1y9r n GLN 863 N -1.91 -6.65 -1.52 3.23 6.02 0.30 -4.87 117.38 111.98 1y9r n GLN 863 Ca 0.01 0.80 -0.58 0.00 -0.01 0.00 0.00 57.00 57.21 1y9r n GLN 863 Cb 0.09 -5.64 -0.08 0.00 1.02 0.00 0.00 30.24 25.63 1y9r n GLN 863 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1y9r n LEU 864 N -4.45 0.25 -5.00 1.08 7.94 -0.56 -4.98 117.00 111.29 1y9r n LEU 864 Ca -0.02 1.15 -0.19 0.00 -1.11 0.00 0.00 56.01 55.84 1y9r n LEU 864 Cb 0.57 -0.96 0.02 0.00 0.53 0.00 0.00 43.42 43.59 1y9r n LEU 864 CO 0.56 -1.76 0.20 0.42 -1.11 0.00 0.00 177.39 175.70 1y9r s THR 865 N 0.15 2.57 0.07 1.96 -4.23 -1.26 -5.01 115.64 109.89 1y9r s THR 865 Ca 0.90 -1.06 -0.16 0.00 -1.18 0.00 0.00 61.69 60.19 1y9r s THR 865 Cb -1.23 -2.63 -0.15 0.00 1.34 0.00 0.00 72.50 69.82 1y9r s THR 865 CO 0.56 0.00 1.29 0.15 -0.54 0.00 0.00 174.62 176.08 1y9r h PHE 866 N 0.51 0.82 0.00 3.99 3.57 -1.99 -2.26 116.94 121.58 1y9r h PHE 866 Ca -0.36 -0.34 -0.09 0.00 3.53 0.00 0.00 57.97 60.71 1y9r h PHE 866 Cb 1.28 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 1y9r h PHE 866 CO 0.46 1.12 -0.43 0.93 -2.23 0.00 0.00 178.31 178.16 1y9r h GLU 867 N 0.29 0.00 0.01 1.11 3.07 -1.99 -1.10 114.58 115.97 1y9r h GLU 867 Ca -0.02 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.65 1y9r h GLU 867 Cb 1.14 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.04 1y9r h GLU 867 CO 0.11 0.43 -0.88 1.49 -1.40 0.00 0.00 179.01 178.76 1y9r h GLU 868 N 0.00 0.11 0.12 2.33 4.81 -1.98 -3.01 114.58 116.96 1y9r h GLU 868 Ca -0.00 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1y9r h GLU 868 Cb 0.88 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1y9r h GLU 868 CO 0.06 0.92 -0.06 -0.92 -0.73 0.00 0.00 179.01 178.28 1y9r h TYR 869 N 0.06 -0.14 -0.93 0.92 3.20 -1.19 -2.75 116.97 116.13 1y9r h TYR 869 Ca -0.03 -0.00 0.21 0.00 3.14 0.00 0.00 58.73 62.04 1y9r h TYR 869 Cb 1.53 0.05 -0.07 0.00 1.54 0.00 0.00 36.73 39.77 1y9r h TYR 869 CO 0.02 0.33 0.61 0.00 -1.64 0.00 0.00 178.16 177.48 1y9r h THR 870 N -0.89 0.66 0.05 1.81 1.03 -1.30 0.17 112.91 114.45 1y9r h THR 870 Ca -0.02 -0.15 -0.23 0.00 -0.01 0.00 0.00 66.41 66.00 1y9r h THR 870 Cb 0.54 0.20 -0.01 0.00 -1.07 0.00 0.00 68.15 67.80 1y9r h THR 870 CO 0.03 0.08 -1.08 -0.29 -0.01 0.00 0.00 175.52 174.24 1y9r h ILE 871 N 0.43 1.61 0.00 0.00 2.10 -1.59 -3.07 117.51 116.99 1y9r h ILE 871 Ca 0.49 -3.20 -0.10 0.00 1.08 0.00 0.00 64.86 63.13 1y9r h ILE 871 Cb 1.20 2.85 -0.01 0.00 -1.09 0.00 0.00 36.82 39.76 1y9r h ILE 871 CO -0.20 0.92 -0.46 0.24 -1.08 0.00 0.00 178.15 177.58 1y9r h MET 872 N 0.04 0.00 -0.42 2.19 2.86 -0.62 -1.43 114.93 117.54 1y9r h MET 872 Ca -0.06 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.45 1y9r h MET 872 Cb 1.82 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.47 1y9r h MET 872 CO 0.16 0.46 -0.24 -0.22 1.06 0.00 0.00 176.91 178.12 1y9r h LYS 873 N 0.00 0.91 -0.04 1.72 3.64 -0.76 -1.63 116.57 120.41 1y9r h LYS 873 Ca -0.00 -0.41 -0.09 0.00 -1.27 0.00 0.00 60.65 58.87 1y9r h LYS 873 Cb 0.86 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 1y9r h LYS 873 CO 0.06 1.07 -0.37 0.28 -2.27 0.00 0.00 179.45 178.21 1y9r h VAL 874 N 0.73 1.28 -0.06 2.00 2.07 -1.35 -1.76 116.25 119.17 1y9r h VAL 874 Ca 0.09 -1.34 -0.07 0.00 0.82 0.00 0.00 66.70 66.20 1y9r h VAL 874 Cb 0.82 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1y9r h VAL 874 CO 0.07 0.39 -0.29 -0.07 0.02 0.00 0.00 177.57 177.70 1y9r h LEU 875 N 0.07 0.10 -0.67 2.57 3.38 -0.89 -2.39 115.31 117.49 1y9r h LEU 875 Ca 0.01 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1y9r h LEU 875 Cb 0.70 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1y9r h LEU 875 CO 0.05 0.39 -0.54 -0.07 0.09 0.00 0.00 178.44 178.36 1y9r h LEU 876 N 0.09 0.00 -0.64 1.67 3.38 -0.41 -2.76 115.31 116.65 1y9r h LEU 876 Ca 0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 1y9r h LEU 876 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1y9r h LEU 876 CO 0.04 0.54 -0.49 0.25 0.09 0.00 0.00 178.44 178.87 1y9r h LEU 877 N 0.00 0.00 -3.57 1.67 5.85 -1.14 -3.05 115.31 115.07 1y9r h LEU 877 Ca -0.01 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.43 1y9r h LEU 877 Cb 1.12 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.98 1y9r h LEU 877 CO 0.07 0.49 0.16 0.18 -0.34 0.00 0.00 178.44 179.01 1y9r n LEU 878 N -3.49 5.02 -0.08 2.25 4.77 -1.07 -4.63 117.00 119.77 1y9r n LEU 878 Ca 0.00 -3.70 -0.12 0.00 -0.03 0.00 0.00 56.01 52.16 1y9r n LEU 878 Cb 0.61 -0.70 -0.15 0.00 -2.33 0.00 0.00 43.42 40.85 1y9r n LEU 878 CO 0.39 1.18 -1.04 -1.54 -1.33 0.00 0.00 177.39 175.04 1y9r n SER 879 N -1.09 0.67 -4.12 -1.43 3.41 -1.05 -4.90 113.62 105.11 1y9r n SER 879 Ca 0.42 0.07 -0.31 0.00 -0.26 0.00 0.00 58.87 58.79 1y9r n SER 879 Cb 1.25 0.41 -0.16 0.00 -0.26 0.00 0.00 64.21 65.44 1y9r n SER 879 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1y9r s THR 880 N -2.52 1.86 0.29 6.66 2.01 -1.26 0.18 115.64 122.86 1y9r s THR 880 Ca -0.14 -0.85 0.06 0.00 0.31 0.00 0.00 61.69 61.06 1y9r s THR 880 Cb 0.07 -1.67 -0.06 0.00 0.01 0.00 0.00 72.50 70.85 1y9r s THR 880 CO 0.78 0.51 -0.03 0.27 -0.69 0.00 0.00 174.62 175.46 1y9r s ILE 881 N 0.96 1.52 0.45 1.82 -4.36 -0.02 -4.76 121.20 116.80 1y9r s ILE 881 Ca -0.05 -2.09 -0.25 0.00 -0.26 0.00 0.00 60.65 58.00 1y9r s ILE 881 Cb -0.15 -2.52 -0.08 0.00 1.25 0.00 0.00 42.46 40.96 1y9r s ILE 881 CO -0.03 -0.24 1.44 -2.65 0.24 0.00 0.00 174.94 173.70 1y9r n PRO 882 N -0.60 2.27 -0.24 0.37 -0.02 -1.26 0.58 135.00 136.10 1y9r n PRO 882 Ca -0.05 0.81 0.31 0.00 -2.02 0.00 0.00 63.50 62.55 1y9r n PRO 882 Cb 0.64 -2.64 0.58 0.00 -0.02 0.00 0.00 33.50 32.06 1y9r n PRO 882 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1y9r h LYS 883 N 2.30 0.00 0.00 -0.52 3.64 -1.64 -1.97 116.57 118.38 1y9r h LYS 883 Ca -0.51 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 58.67 1y9r h LYS 883 Cb 1.27 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.05 1y9r h LYS 883 CO 0.61 0.00 -1.85 -0.25 -2.27 0.00 0.00 179.45 175.69 1y9r n ASP 884 N -3.51 1.77 0.00 4.20 9.92 -1.26 -4.97 116.55 122.70 1y9r n ASP 884 Ca 0.24 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.50 1y9r n ASP 884 Cb 1.42 0.97 0.00 0.00 -0.64 0.00 0.00 41.12 42.87 1y9r n ASP 884 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1y9r n GLY 885 N 2.11 0.93 3.30 0.44 0.00 -0.74 -5.11 105.19 106.11 1y9r n GLY 885 Ca -0.18 -1.94 -0.17 0.00 0.00 0.00 0.00 46.02 43.73 1y9r n GLY 885 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y9r s LEU 886 N 0.00 2.54 0.05 0.99 1.43 -1.26 -4.53 118.68 117.89 1y9r s LEU 886 Ca 0.00 -1.01 -0.17 0.00 -1.03 0.00 0.00 54.13 51.93 1y9r s LEU 886 Cb 0.00 -0.52 -0.08 0.00 0.03 0.00 0.00 46.19 45.62 1y9r s LEU 886 CO 0.00 -0.24 1.26 0.11 0.23 0.00 0.00 176.35 177.71 1y9r h LYS 887 N 2.70 -0.40 -2.43 1.70 1.57 -2.04 -2.33 116.57 115.34 1y9r h LYS 887 Ca -0.37 0.03 -0.42 0.00 -1.87 0.00 0.00 60.65 58.01 1y9r h LYS 887 Cb 1.21 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.57 1y9r h LYS 887 CO 0.62 -0.27 1.48 0.43 -0.57 0.00 0.00 179.45 181.15 1y9r n SER 888 N -3.85 6.84 -0.11 0.86 7.64 -1.26 -4.51 113.62 119.24 1y9r n SER 888 Ca -0.05 -2.57 -0.06 0.00 1.01 0.00 0.00 58.87 57.20 1y9r n SER 888 Cb 0.21 -1.47 0.01 0.00 -1.01 0.00 0.00 64.21 61.95 1y9r n SER 888 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1y9r h GLN 889 N 3.87 0.31 0.06 1.43 5.75 -1.83 0.19 115.11 124.89 1y9r h GLN 889 Ca 0.50 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.98 1y9r h GLN 889 Cb 0.94 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.41 1y9r h GLN 889 CO 0.94 0.20 -0.09 0.00 -2.65 0.00 0.00 178.83 177.23 1y9r h ALA 890 N 1.21 -0.73 -0.77 3.38 0.00 -1.87 0.92 119.26 121.41 1y9r h ALA 890 Ca 0.16 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.17 1y9r h ALA 890 Cb 0.11 0.44 -0.13 0.00 0.00 0.00 0.00 17.79 18.21 1y9r h ALA 890 CO -0.14 -0.74 -0.38 0.00 0.00 0.00 0.00 179.25 177.99 1y9r h ALA 891 N -1.48 -0.00 -0.70 0.00 0.00 -1.88 0.34 119.26 115.53 1y9r h ALA 891 Ca -0.01 0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.26 1y9r h ALA 891 Cb 0.15 0.92 -0.12 0.00 0.00 0.00 0.00 17.79 18.74 1y9r h ALA 891 CO -0.03 -0.68 -0.03 0.35 0.00 0.00 0.00 179.25 178.86 1y9r h PHE 892 N -0.10 -0.10 -0.15 0.00 3.57 -0.32 -0.23 116.94 119.60 1y9r h PHE 892 Ca 0.27 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.80 1y9r h PHE 892 Cb 0.57 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1y9r h PHE 892 CO -0.76 -0.23 -0.02 0.93 -2.23 0.00 0.00 178.31 176.00 1y9r h GLU 893 N 0.09 0.29 -0.68 1.11 5.08 0.22 -1.21 114.58 119.47 1y9r h GLU 893 Ca 0.37 -0.10 0.09 0.00 -1.00 0.00 0.00 59.36 58.71 1y9r h GLU 893 Cb 0.62 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.78 1y9r h GLU 893 CO -0.63 0.55 0.33 1.49 -1.00 0.00 0.00 179.01 179.75 1y9r h GLU 894 N 0.00 0.56 -0.75 2.33 4.57 -0.51 0.22 114.58 121.00 1y9r h GLU 894 Ca 0.04 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 1y9r h GLU 894 Cb 0.44 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.87 1y9r h GLU 894 CO 0.01 0.37 0.31 1.98 -1.18 0.00 0.00 179.01 180.50 1y9r h MET 895 N 0.58 1.12 -0.01 1.92 4.05 -0.96 -1.05 114.93 120.57 1y9r h MET 895 Ca 0.33 -0.19 -0.00 0.00 -0.28 0.00 0.00 59.70 59.56 1y9r h MET 895 Cb 0.34 -0.19 -0.00 0.00 -0.80 0.00 0.00 31.60 30.96 1y9r h MET 895 CO -0.26 0.90 -0.01 -0.09 0.23 0.00 0.00 176.91 177.68 1y9r h ARG 896 N 1.09 0.02 0.00 0.39 2.43 0.28 -0.67 114.38 117.93 1y9r h ARG 896 Ca 0.25 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.37 1y9r h ARG 896 Cb 0.20 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1y9r h ARG 896 CO -0.02 0.51 -0.18 1.79 -1.51 0.00 0.00 179.97 180.55 1y9r h THR 897 N -0.46 0.82 0.49 0.20 1.35 -0.67 -0.58 112.91 114.07 1y9r h THR 897 Ca 0.00 -0.70 -0.02 0.00 -0.55 0.00 0.00 66.41 65.14 1y9r h THR 897 Cb 0.50 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1y9r h THR 897 CO 0.00 0.18 -0.24 -1.13 -0.25 0.00 0.00 175.52 174.08 1y9r h ASN 898 N 0.00 -0.56 0.27 5.36 -0.73 -0.97 -0.75 115.58 118.21 1y9r h ASN 898 Ca -0.00 -0.04 -0.02 0.00 1.87 0.00 0.00 56.30 58.12 1y9r h ASN 898 Cb 0.40 0.14 -0.00 0.00 0.27 0.00 0.00 38.32 39.13 1y9r h ASN 898 CO 0.02 -0.31 -0.07 1.88 -0.37 0.00 0.00 177.43 178.58 1y9r h TYR 899 N -0.78 0.00 0.04 0.67 0.05 -0.59 -2.64 116.97 113.71 1y9r h TYR 899 Ca -0.07 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.48 1y9r h TYR 899 Cb 0.56 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.32 1y9r h TYR 899 CO -0.02 0.07 -0.94 0.82 -1.05 0.00 0.00 178.16 177.05 1y9r h ILE 900 N 0.00 1.34 0.00 -2.88 2.04 -0.73 -3.15 117.51 114.13 1y9r h ILE 900 Ca -0.00 -2.26 -0.02 0.00 1.00 0.00 0.00 64.86 63.57 1y9r h ILE 900 Cb 0.23 2.59 -0.00 0.00 -0.74 0.00 0.00 36.82 38.89 1y9r h ILE 900 CO 0.01 0.68 -0.10 0.11 0.00 0.00 0.00 178.15 178.86 1y9r h LYS 901 N 0.15 0.00 0.45 2.37 1.57 -0.80 -1.50 116.57 118.82 1y9r h LYS 901 Ca -0.13 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1y9r h LYS 901 Cb 1.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.94 1y9r h LYS 901 CO 0.18 0.10 -0.22 1.49 -0.57 0.00 0.00 179.45 180.43 1y9r h GLU 902 N 0.00 -0.58 -0.40 3.15 4.57 -1.45 0.29 114.58 120.15 1y9r h GLU 902 Ca -0.00 0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.26 1y9r h GLU 902 Cb 0.30 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.98 1y9r h GLU 902 CO 0.01 -0.33 0.15 1.25 -1.18 0.00 0.00 179.01 178.92 1y9r h LEU 903 N -0.73 0.18 -1.71 1.64 5.85 -1.45 0.55 115.31 119.64 1y9r h LEU 903 Ca -0.06 0.04 0.11 0.00 0.84 0.00 0.00 57.88 58.81 1y9r h LEU 903 Cb 0.52 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1y9r h LEU 903 CO 0.10 0.14 0.39 -0.09 -0.34 0.00 0.00 178.44 178.64 1y9r h ARG 904 N 0.32 0.31 0.00 1.25 2.43 -1.03 0.53 114.38 118.19 1y9r h ARG 904 Ca 0.18 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.21 1y9r h ARG 904 Cb 0.15 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1y9r h ARG 904 CO -0.18 0.21 -0.60 0.87 -1.51 0.00 0.00 179.97 178.76 1y9r h LYS 905 N 0.32 0.00 0.11 0.20 1.57 0.33 -3.30 116.57 115.79 1y9r h LYS 905 Ca 0.27 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.78 1y9r h LYS 905 Cb 0.64 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.96 1y9r h LYS 905 CO -0.07 0.60 -1.19 1.98 -0.57 0.00 0.00 179.45 180.20 1y9r h MET 906 N 0.00 0.42 -2.60 3.15 4.05 0.47 -3.32 114.93 117.11 1y9r h MET 906 Ca -0.01 -0.59 -0.21 0.00 -0.28 0.00 0.00 59.70 58.61 1y9r h MET 906 Cb 1.25 0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 32.22 1y9r h MET 906 CO 0.08 1.25 0.72 0.28 0.23 0.00 0.00 176.91 179.47 1y9r n VAL 907 N -3.67 2.25 -2.88 -5.77 0.31 -0.04 -5.08 118.33 103.45 1y9r n VAL 907 Ca -0.10 -1.20 -0.01 0.00 -0.01 0.00 0.00 64.34 63.01 1y9r n VAL 907 Cb 0.97 -1.95 0.01 0.00 -0.91 0.00 0.00 33.84 31.96 1y9r n VAL 907 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1y9r s THR 908 N 2.05 -0.72 0.00 2.52 -4.23 -1.25 -4.94 115.64 109.07 1y9r s THR 908 Ca 0.45 -0.39 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 1y9r s THR 908 Cb 0.19 0.00 0.00 0.00 1.34 0.00 0.00 72.50 74.03 1y9r s THR 908 CO -0.01 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.07 1y9r n GLN 919 N 3.43 0.00 0.17 3.99 0.00 -1.26 -5.19 117.38 118.53 1y9r n GLN 919 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 57.00 57.25 1y9r n GLN 919 Cb 0.59 0.00 0.67 0.00 0.00 0.00 0.00 30.24 31.50 1y9r n GLN 919 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.06 176.97 1y9r h ARG 920 N 0.00 0.00 -0.07 2.61 2.43 -1.99 -2.20 114.38 115.16 1y9r h ARG 920 Ca 0.00 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1y9r h ARG 920 Cb 0.00 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.49 1y9r h ARG 920 CO 0.00 0.00 -0.41 0.35 -1.51 0.00 0.00 179.97 178.40 1y9r h PHE 921 N 0.00 -1.18 -0.91 2.20 3.57 -1.95 0.05 116.94 118.72 1y9r h PHE 921 Ca 0.09 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1y9r h PHE 921 Cb 0.35 0.53 -0.04 0.00 2.79 0.00 0.00 35.95 39.57 1y9r h PHE 921 CO 0.00 -0.48 0.49 -0.92 -2.23 0.00 0.00 178.31 175.17 1y9r h TYR 922 N -0.52 1.25 -0.53 0.41 3.20 -1.84 -0.63 116.97 118.30 1y9r h TYR 922 Ca 0.06 -0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.97 1y9r h TYR 922 Cb 0.63 -0.40 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 1y9r h TYR 922 CO -0.45 0.86 0.35 1.96 -1.64 0.00 0.00 178.16 179.24 1y9r h GLN 923 N 1.27 0.42 0.14 1.82 4.20 -0.95 0.15 115.11 122.17 1y9r h GLN 923 Ca 0.32 -0.03 -0.23 0.00 0.06 0.00 0.00 58.65 58.77 1y9r h GLN 923 Cb 0.03 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 27.73 1y9r h GLN 923 CO -0.05 0.28 -1.10 -0.07 -0.67 0.00 0.00 178.83 177.22 1y9r h LEU 924 N 0.44 0.46 -1.64 1.46 3.38 -0.09 -3.16 115.31 116.16 1y9r h LEU 924 Ca 0.23 -0.91 -0.03 0.00 0.09 0.00 0.00 57.88 57.26 1y9r h LEU 924 Cb 0.36 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1y9r h LEU 924 CO -0.06 1.51 -0.14 0.71 0.09 0.00 0.00 178.44 180.54 1y9r h THR 925 N -0.31 0.49 -0.26 0.22 1.35 -0.79 -2.47 112.91 111.14 1y9r h THR 925 Ca -0.22 -0.72 -0.09 0.00 -0.55 0.00 0.00 66.41 64.84 1y9r h THR 925 Cb 1.73 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 69.64 1y9r h THR 925 CO 0.12 0.14 -0.17 0.07 -0.25 0.00 0.00 175.52 175.43 1y9r h LYS 926 N 0.00 0.58 0.69 4.72 2.10 -0.79 -2.46 116.57 121.42 1y9r h LYS 926 Ca -0.00 -0.27 -0.03 0.00 -2.00 0.00 0.00 60.65 58.34 1y9r h LYS 926 Cb 0.48 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.80 1y9r h LYS 926 CO 0.02 0.85 -0.38 1.25 -2.00 0.00 0.00 179.45 179.19 1y9r h LEU 927 N 0.31 -0.95 -0.99 7.07 6.46 -1.42 -0.76 115.31 125.03 1y9r h LEU 927 Ca 0.05 0.05 0.26 0.00 -0.12 0.00 0.00 57.88 58.12 1y9r h LEU 927 Cb 0.70 0.27 -0.13 0.00 -0.73 0.00 0.00 40.66 40.77 1y9r h LEU 927 CO 0.05 -0.62 0.56 -0.07 -0.62 0.00 0.00 178.44 177.74 1y9r h LEU 928 N -1.00 0.59 -0.60 2.25 3.38 -1.49 0.92 115.31 119.37 1y9r h LEU 928 Ca -0.09 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1y9r h LEU 928 Cb 0.79 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 1y9r h LEU 928 CO 0.12 0.04 0.33 -0.78 0.09 0.00 0.00 178.44 178.23 1y9r h ASP 929 N 0.50 0.75 0.44 -0.43 3.58 -0.90 -0.97 116.42 119.39 1y9r h ASP 929 Ca 0.65 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 58.01 1y9r h ASP 929 Cb 1.30 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 42.16 1y9r h ASP 929 CO -0.51 0.62 0.00 0.28 -2.88 0.00 0.00 179.24 176.75 1y9r h SER 930 N 0.81 0.00 -0.38 2.28 0.02 0.22 -2.09 113.55 114.41 1y9r h SER 930 Ca 0.21 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.00 1y9r h SER 930 Cb 0.04 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1y9r h SER 930 CO -0.03 0.00 -0.38 -0.03 -1.14 0.00 0.00 176.83 175.24 1y9r h MET 931 N 0.00 0.93 -0.60 3.45 -1.53 0.43 -2.75 114.93 114.87 1y9r h MET 931 Ca 0.00 -0.49 0.01 0.00 -3.44 0.00 0.00 59.70 55.78 1y9r h MET 931 Cb 0.22 0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 31.26 1y9r h MET 931 CO 0.00 1.15 0.40 0.45 0.14 0.00 0.00 176.91 179.04 1y9r h HIS 932 N 0.75 0.73 -0.09 1.39 -0.00 -1.34 0.31 115.15 116.90 1y9r h HIS 932 Ca 0.06 0.02 -0.13 0.00 -0.00 0.00 0.00 60.37 60.32 1y9r h HIS 932 Cb 0.98 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 28.13 1y9r h HIS 932 CO 0.06 0.45 -0.53 0.22 -0.00 0.00 0.00 177.93 178.14 1y9r h ASP 933 N 0.78 0.28 0.26 2.45 1.82 -1.61 -2.84 116.42 117.55 1y9r h ASP 933 Ca 0.22 -0.14 -0.01 0.00 -0.39 0.00 0.00 57.03 56.71 1y9r h ASP 933 Cb -0.04 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 39.89 1y9r h ASP 933 CO -0.05 0.75 -0.13 0.25 -1.61 0.00 0.00 179.24 178.46 1y9r h LEU 934 N 0.20 -0.30 -0.54 2.28 6.46 -0.73 -3.23 115.31 119.44 1y9r h LEU 934 Ca 0.00 -0.19 0.08 0.00 -0.12 0.00 0.00 57.88 57.65 1y9r h LEU 934 Cb 1.00 0.08 -0.07 0.00 -0.73 0.00 0.00 40.66 40.94 1y9r h LEU 934 CO 0.08 0.20 0.18 0.58 -0.62 0.00 0.00 178.44 178.86 1y9r h VAL 935 N -0.97 0.78 -0.99 1.05 2.07 -0.56 0.33 116.25 117.97 1y9r h VAL 935 Ca -0.04 -0.12 0.24 0.00 0.82 0.00 0.00 66.70 67.60 1y9r h VAL 935 Cb 0.47 0.40 -0.12 0.00 -1.52 0.00 0.00 31.29 30.52 1y9r h VAL 935 CO 0.06 0.06 0.57 -1.28 0.02 0.00 0.00 177.57 177.01 1y9r h SER 936 N 0.35 0.65 -0.08 0.57 0.87 -1.62 1.19 113.55 115.48 1y9r h SER 936 Ca 0.27 0.14 -0.08 0.00 -1.23 0.00 0.00 61.79 60.89 1y9r h SER 936 Cb 0.32 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1y9r h SER 936 CO -0.28 0.10 -0.25 0.44 -0.53 0.00 0.00 176.83 176.31 1y9r h ASP 937 N 0.57 0.36 -0.92 6.23 5.19 -1.04 -2.20 116.42 124.61 1y9r h ASP 937 Ca 0.63 -0.61 0.03 0.00 -0.62 0.00 0.00 57.03 56.46 1y9r h ASP 937 Cb 1.20 -0.10 -0.05 0.00 0.18 0.00 0.00 39.33 40.55 1y9r h ASP 937 CO -0.48 0.90 0.61 -0.07 -3.12 0.00 0.00 179.24 177.08 1y9r h LEU 938 N -0.17 1.02 -0.03 1.55 3.38 0.11 -2.78 115.31 118.39 1y9r h LEU 938 Ca -0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1y9r h LEU 938 Cb 0.87 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1y9r h LEU 938 CO 0.05 0.71 0.01 -0.07 0.09 0.00 0.00 178.44 179.24 1y9r h LEU 939 N 1.19 0.05 -0.83 1.67 3.38 0.13 -1.63 115.31 119.27 1y9r h LEU 939 Ca 0.36 -0.18 0.17 0.00 0.09 0.00 0.00 57.88 58.31 1y9r h LEU 939 Cb -0.04 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.59 1y9r h LEU 939 CO -0.10 0.21 0.37 1.05 0.09 0.00 0.00 178.44 180.07 1y9r h GLU 940 N -0.12 0.47 -0.19 1.13 -0.00 -1.11 0.62 114.58 115.38 1y9r h GLU 940 Ca 0.01 -0.03 -0.11 0.00 -0.00 0.00 0.00 59.36 59.23 1y9r h GLU 940 Cb 0.18 -0.11 -0.00 0.00 -0.00 0.00 0.00 28.75 28.83 1y9r h GLU 940 CO -0.00 0.31 -0.32 0.35 -0.00 0.00 0.00 179.01 179.35 1y9r h PHE 941 N 0.49 0.69 -0.13 2.06 3.57 -1.46 -1.23 116.94 120.92 1y9r h PHE 941 Ca 0.47 -0.24 0.05 0.00 3.53 0.00 0.00 57.97 61.78 1y9r h PHE 941 Cb 0.77 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.32 1y9r h PHE 941 CO -0.14 0.97 -0.24 0.00 -2.23 0.00 0.00 178.31 176.68 1y9r h PHE 943 N -0.30 1.05 -0.01 0.00 3.57 0.18 -2.11 116.94 119.32 1y9r h PHE 943 Ca 0.10 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 1y9r h PHE 943 Cb 0.45 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 1y9r h PHE 943 CO -0.34 0.69 0.00 -0.92 -2.23 0.00 0.00 178.31 175.52 1y9r h TYR 944 N 1.11 0.01 0.00 0.41 3.20 -0.20 -0.17 116.97 121.33 1y9r h TYR 944 Ca 0.29 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.14 1y9r h TYR 944 Cb -0.06 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.20 1y9r h TYR 944 CO 0.00 0.17 -0.11 1.79 -1.64 0.00 0.00 178.16 178.37 1y9r h THR 945 N -0.14 0.70 0.33 1.81 1.35 -0.91 -1.25 112.91 114.81 1y9r h THR 945 Ca 0.00 -0.43 -0.02 0.00 -0.55 0.00 0.00 66.41 65.42 1y9r h THR 945 Cb 0.16 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1y9r h THR 945 CO -0.00 0.10 -0.16 0.15 -0.25 0.00 0.00 175.52 175.36 1y9r h PHE 946 N 0.00 -0.41 -1.39 4.73 3.57 -0.94 0.28 116.94 122.79 1y9r h PHE 946 Ca -0.00 -0.01 0.41 0.00 3.53 0.00 0.00 57.97 61.90 1y9r h PHE 946 Cb 0.25 0.14 -0.09 0.00 2.79 0.00 0.00 35.95 39.04 1y9r h PHE 946 CO 0.00 -0.26 0.96 -0.09 -2.23 0.00 0.00 178.31 176.69 1y9r h ARG 947 N -0.86 0.09 -0.38 1.11 2.43 -0.87 0.41 114.38 116.30 1y9r h ARG 947 Ca -0.05 -0.01 -0.26 0.00 -0.81 0.00 0.00 59.98 58.86 1y9r h ARG 947 Cb 0.34 -0.02 -0.18 0.00 -0.42 0.00 0.00 29.97 29.69 1y9r h ARG 947 CO 0.07 0.06 -0.44 0.39 -1.51 0.00 0.00 179.97 178.54 1y9r n GLU 948 N -4.34 2.38 0.37 0.20 -0.58 -0.48 -4.80 120.64 113.38 1y9r n GLU 948 Ca 0.33 -3.57 -0.17 0.00 -0.42 0.00 0.00 57.16 53.33 1y9r n GLU 948 Cb 1.42 -1.92 -0.08 0.00 -0.57 0.00 0.00 31.44 30.29 1y9r n GLU 948 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1y9r h SER 949 N 1.45 -1.03 -0.44 1.62 0.87 0.36 -2.61 113.55 113.77 1y9r h SER 949 Ca 0.21 0.05 -0.59 0.00 -1.23 0.00 0.00 61.79 60.23 1y9r h SER 949 Cb 1.32 0.30 -0.04 0.00 -0.44 0.00 0.00 62.40 63.54 1y9r h SER 949 CO 0.43 -0.64 2.11 1.41 -0.53 0.00 0.00 176.83 179.60 1y9r n HIS 950 N -5.01 3.48 0.00 2.24 8.25 -1.26 -1.21 115.22 121.70 1y9r n HIS 950 Ca -0.13 -2.33 0.00 0.00 -0.26 0.00 0.00 57.72 55.00 1y9r n HIS 950 Cb 0.42 -2.47 0.00 0.00 1.12 0.00 0.00 29.99 29.06 1y9r n HIS 950 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y9r n ALA 951 N 9.40 0.00 0.51 -1.41 0.00 -1.24 -4.91 120.51 122.86 1y9r n ALA 951 Ca 0.49 0.00 0.11 0.00 0.00 0.00 0.00 53.44 54.04 1y9r n ALA 951 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.87 1y9r n ALA 951 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1y9r n LEU 952 N 0.00 0.58 -1.66 0.00 4.77 -0.90 -4.97 117.00 114.82 1y9r n LEU 952 Ca 0.00 -0.04 -0.12 0.00 -0.03 0.00 0.00 56.01 55.83 1y9r n LEU 952 Cb 0.00 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.03 1y9r n LEU 952 CO 0.00 0.04 -0.01 0.29 -1.33 0.00 0.00 177.39 176.38 1y9r n LYS 953 N -2.00 -2.43 -3.47 3.23 5.02 -0.35 -4.73 118.16 113.44 1y9r n LYS 953 Ca 0.01 0.49 -0.38 0.00 -2.02 0.00 0.00 58.31 56.41 1y9r n LYS 953 Cb 0.45 -4.48 -0.06 0.00 -0.02 0.00 0.00 35.03 30.92 1y9r n LYS 953 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1y9r s VAL 954 N -2.84 5.12 -0.09 -0.18 1.01 -1.16 -4.70 120.40 117.56 1y9r s VAL 954 Ca 0.14 0.81 0.03 0.00 0.00 0.00 0.00 61.98 62.96 1y9r s VAL 954 Cb -0.06 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 1y9r s VAL 954 CO 0.18 0.49 -0.19 -0.70 0.00 0.00 0.00 175.10 174.88 1y9r s GLU 955 N -0.40 2.93 -0.09 2.72 2.12 -1.26 -4.63 118.70 120.09 1y9r s GLU 955 Ca 0.23 -0.78 0.03 0.00 0.36 0.00 0.00 54.97 54.81 1y9r s GLU 955 Cb -0.16 -2.39 -0.01 0.00 0.26 0.00 0.00 34.13 31.83 1y9r s GLU 955 CO 0.11 0.33 -0.21 -0.06 -0.54 0.00 0.00 175.26 174.89 1y9r s PHE 956 N 0.01 2.61 0.00 5.30 0.40 -1.26 -4.44 117.98 120.59 1y9r s PHE 956 Ca -0.06 -0.78 0.00 0.00 -0.60 0.00 0.00 56.93 55.49 1y9r s PHE 956 Cb -0.15 -1.71 0.00 0.00 0.51 0.00 0.00 43.02 41.67 1y9r s PHE 956 CO 0.05 -0.26 0.00 -2.30 0.70 0.00 0.00 175.22 173.41 1y9r n PRO 957 N 3.26 0.00 0.00 0.24 -0.02 -1.26 -4.84 135.00 132.39 1y9r n PRO 957 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1y9r n PRO 957 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 1y9r n PRO 957 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y9r n ALA 958 N -3.00 0.00 -0.05 3.55 0.00 -1.26 -4.83 120.51 114.92 1y9r n ALA 958 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1y9r n ALA 958 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1y9r n ALA 958 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y9r h MET 959 N 0.00 0.01 0.05 0.00 -0.00 -1.92 -3.17 114.93 109.90 1y9r h MET 959 Ca 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.70 59.68 1y9r h MET 959 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1y9r h MET 959 CO 0.00 0.80 -0.02 -0.07 -0.00 0.00 0.00 176.91 177.61 1y9r h LEU 960 N -0.76 -0.06 -1.37 -0.10 3.38 -1.92 -2.98 115.31 111.49 1y9r h LEU 960 Ca -0.00 -0.41 0.40 0.00 0.09 0.00 0.00 57.88 57.96 1y9r h LEU 960 Cb 0.80 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.44 1y9r h LEU 960 CO 0.00 0.39 0.80 0.58 0.09 0.00 0.00 178.44 180.30 1y9r h VAL 961 N -0.51 0.20 -0.14 1.22 2.07 -1.88 1.27 116.25 118.46 1y9r h VAL 961 Ca -0.01 -0.05 -0.16 0.00 0.82 0.00 0.00 66.70 67.31 1y9r h VAL 961 Cb 0.46 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1y9r h VAL 961 CO 0.01 0.03 -0.58 -0.08 0.02 0.00 0.00 177.57 176.97 1y9r h GLU 962 N 0.14 0.46 0.04 1.57 4.57 -1.49 -2.05 114.58 117.82 1y9r h GLU 962 Ca 0.78 -0.30 -0.15 0.00 -1.18 0.00 0.00 59.36 58.51 1y9r h GLU 962 Cb 2.34 0.04 0.01 0.00 -0.16 0.00 0.00 28.75 30.98 1y9r h GLU 962 CO -0.41 0.91 -0.60 0.82 -1.18 0.00 0.00 179.01 178.54 1y9r h ILE 963 N 0.35 1.47 0.08 2.32 2.04 0.13 -3.26 117.51 120.65 1y9r h ILE 963 Ca 0.00 -2.19 0.00 0.00 1.00 0.00 0.00 64.86 63.67 1y9r h ILE 963 Cb 1.11 2.80 -0.01 0.00 -0.74 0.00 0.00 36.82 39.98 1y9r h ILE 963 CO 0.10 0.63 -0.16 0.40 0.00 0.00 0.00 178.15 179.12 1y9r h ILE 964 N -0.25 0.00 -0.68 -0.67 5.03 0.09 0.65 117.51 121.69 1y9r h ILE 964 Ca -0.09 0.00 0.20 0.00 -0.12 0.00 0.00 64.86 64.85 1y9r h ILE 964 Cb 1.36 0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 35.12 1y9r h ILE 964 CO 0.12 0.00 0.76 0.28 -0.68 0.00 0.00 178.15 178.63 1y9r h SER 965 N -0.26 0.00 0.02 1.72 0.02 -1.53 -0.83 113.55 112.69 1y9r h SER 965 Ca -0.01 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.60 1y9r h SER 965 Cb 0.25 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.74 1y9r h SER 965 CO -0.07 0.00 -1.87 -0.67 -1.14 0.00 0.00 176.83 173.08 1y9r n ASP 966 N -3.52 1.94 0.16 3.07 4.64 -0.78 -4.25 116.55 117.81 1y9r n ASP 966 Ca 0.14 0.32 -0.12 0.00 -1.38 0.00 0.00 54.79 53.76 1y9r n ASP 966 Cb 1.00 -0.86 -0.07 0.00 -1.04 0.00 0.00 41.12 40.15 1y9r n ASP 966 CO 0.00 0.00 0.00 -0.61 -0.82 0.00 0.00 177.20 175.77 1y9r h GLN 967 N -0.78 -0.44 -0.56 -0.67 4.15 0.85 -3.37 115.11 114.28 1y9r h GLN 967 Ca -0.49 0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.06 1y9r h GLN 967 Cb 1.55 0.10 -0.08 0.00 0.21 0.00 0.00 27.48 29.26 1y9r h GLN 967 CO -0.23 -0.13 0.11 -0.07 -1.93 0.00 0.00 178.83 176.58 1y9r h LEU 968 N -0.94 -0.01 -0.74 -2.39 3.38 -1.35 -3.05 115.31 110.20 1y9r h LEU 968 Ca -0.05 0.11 0.16 0.00 0.09 0.00 0.00 57.88 58.19 1y9r h LEU 968 Cb 0.52 0.15 -0.11 0.00 0.09 0.00 0.00 40.66 41.31 1y9r h LEU 968 CO 0.08 0.01 0.16 1.55 0.09 0.00 0.00 178.44 180.32 1y9r h PRO 969 N 0.24 0.24 -2.16 1.13 0.13 -1.74 -2.87 132.00 126.97 1y9r h PRO 969 Ca 0.29 -0.01 -0.56 0.00 -0.87 0.00 0.00 66.00 64.85 1y9r h PRO 969 Cb 0.42 -0.05 -0.41 0.00 0.13 0.00 0.00 31.00 31.08 1y9r h PRO 969 CO -0.38 0.16 -0.79 1.17 -0.23 0.00 0.00 178.00 177.92 1y9r n LYS 970 N -5.18 2.65 0.00 0.86 4.81 -1.16 -4.74 118.16 115.39 1y9r n LYS 970 Ca 0.14 -4.45 0.00 0.00 -0.87 0.00 0.00 58.31 53.13 1y9r n LYS 970 Cb 0.47 -2.09 0.00 0.00 0.02 0.00 0.00 35.03 33.43 1y9r n LYS 970 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1y9r n VAL 971 N -0.12 0.00 -0.33 3.15 0.24 -1.17 -4.35 118.33 115.75 1y9r n VAL 971 Ca 0.29 0.00 0.28 0.00 -2.04 0.00 0.00 64.34 62.87 1y9r n VAL 971 Cb 0.48 0.00 0.60 0.00 -1.47 0.00 0.00 33.84 33.44 1y9r n VAL 971 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1y9r h GLU 972 N 0.00 0.24 -0.05 7.34 -0.00 -1.70 0.26 114.58 120.66 1y9r h GLU 972 Ca 0.00 -0.01 -0.04 0.00 -0.00 0.00 0.00 59.36 59.31 1y9r h GLU 972 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 28.75 28.70 1y9r h GLU 972 CO 0.00 0.16 -0.11 0.66 -0.00 0.00 0.00 179.01 179.72 1y9r h SER 973 N 0.24 0.18 0.00 3.06 4.64 -1.87 -3.47 113.55 116.33 1y9r h SER 973 Ca 0.60 -0.57 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1y9r h SER 973 Cb 1.83 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.87 1y9r h SER 973 CO -0.22 0.72 0.00 0.61 -0.87 0.00 0.00 176.83 177.07 1y9r n GLY 974 N 0.45 0.00 0.03 -0.77 0.00 0.92 -5.03 105.19 100.80 1y9r n GLY 974 Ca -0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.07 1y9r n GLY 974 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1y9r n ASN 975 N 0.00 0.50 -4.60 1.61 3.02 -1.21 -4.77 115.26 109.81 1y9r n ASN 975 Ca 0.00 0.11 -0.42 0.00 -0.03 0.00 0.00 54.58 54.25 1y9r n ASN 975 Cb 0.00 -0.04 -0.06 0.00 -0.61 0.00 0.00 39.78 39.07 1y9r n ASN 975 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1y9r s ALA 976 N -3.07 3.52 -0.56 5.41 0.00 -1.26 -1.59 121.76 124.21 1y9r s ALA 976 Ca 0.10 -0.56 -0.19 0.00 0.00 0.00 0.00 51.96 51.31 1y9r s ALA 976 Cb 0.16 -3.22 0.08 0.00 0.00 0.00 0.00 23.12 20.15 1y9r s ALA 976 CO 0.66 -1.19 0.68 0.21 0.00 0.00 0.00 175.76 176.12 1y9r s LYS 977 N 2.82 3.07 0.34 0.00 2.20 0.20 -4.90 119.74 123.47 1y9r s LYS 977 Ca 0.29 -1.14 -0.27 0.00 -0.36 0.00 0.00 55.97 54.49 1y9r s LYS 977 Cb -0.14 -4.20 -0.09 0.00 -1.51 0.00 0.00 37.83 31.88 1y9r s LYS 977 CO 0.13 -1.42 1.08 -1.25 -0.36 0.00 0.00 175.35 173.53 1y9r s PRO 978 N 2.69 4.38 -0.61 4.03 0.04 -1.26 -0.84 135.00 143.43 1y9r s PRO 978 Ca 0.13 1.68 -0.14 0.00 0.04 0.00 0.00 61.00 62.71 1y9r s PRO 978 Cb -0.22 -2.86 0.15 0.00 0.04 0.00 0.00 34.50 31.61 1y9r s PRO 978 CO 0.08 0.02 0.54 -0.51 0.04 0.00 0.00 177.00 177.17 1y9r s LEU 979 N -2.05 6.21 0.46 -3.56 1.43 0.48 -4.94 118.68 116.70 1y9r s LEU 979 Ca 0.51 -2.11 -0.21 0.00 -1.03 0.00 0.00 54.13 51.29 1y9r s LEU 979 Cb -0.27 -2.16 -0.09 0.00 0.03 0.00 0.00 46.19 43.70 1y9r s LEU 979 CO 0.35 -0.73 1.02 -0.31 0.23 0.00 0.00 176.35 176.91 1y9r s TYR 980 N 1.08 3.10 -0.10 0.29 2.02 -1.26 -4.93 117.35 117.55 1y9r s TYR 980 Ca 0.08 1.59 -0.14 0.00 -0.37 0.00 0.00 57.07 58.24 1y9r s TYR 980 Cb -0.23 -3.02 -0.28 0.00 -0.40 0.00 0.00 41.96 38.03 1y9r s TYR 980 CO -0.01 -0.63 0.55 0.74 -1.57 0.00 0.00 175.55 174.63 1y9r h PHE 981 N 1.75 0.49 -4.09 2.71 0.04 -1.97 -3.47 116.94 112.39 1y9r h PHE 981 Ca -0.49 -0.36 -0.05 0.00 2.80 0.00 0.00 57.97 59.87 1y9r h PHE 981 Cb 1.21 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.33 1y9r h PHE 981 CO 0.58 1.60 -0.04 0.72 -0.60 0.00 0.00 178.31 180.58 1y9r n HIS 982 N -3.83 -0.03 0.00 -0.55 8.25 -1.26 -4.94 115.22 112.86 1y9r n HIS 982 Ca -0.26 -0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.01 1y9r n HIS 982 Cb 0.94 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 32.03 1y9r n HIS 982 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1y9r n ARG 983 N -0.14 0.00 -0.91 -0.41 3.00 -1.26 -5.15 116.66 111.80 1y9r n ARG 983 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.83 1y9r n ARG 983 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.51 1y9r n ARG 983 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26