#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yvj n THR 815 N 0.00 1.46 -3.94 0.52 -2.24 -1.26 -4.42 114.28 104.41 1yvj n THR 815 Ca 0.00 -0.78 -0.33 0.00 -2.27 0.00 0.00 64.05 60.66 1yvj n THR 815 Cb 0.00 -0.80 -0.14 0.00 -2.10 0.00 0.00 70.33 67.30 1yvj n THR 815 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1yvj s ILE 816 N -2.51 2.69 -0.15 2.28 1.01 -1.26 0.84 121.20 124.09 1yvj s ILE 816 Ca -0.15 -2.00 -0.28 0.00 0.00 0.00 0.00 60.65 58.23 1yvj s ILE 816 Cb 0.07 -2.81 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 1yvj s ILE 816 CO 0.78 -0.46 0.94 -0.36 0.00 0.00 0.00 174.94 175.84 1yvj s PHE 817 N 1.06 3.44 0.03 3.97 0.40 0.87 -4.95 117.98 122.81 1yvj s PHE 817 Ca 0.05 1.44 -0.30 0.00 -0.60 0.00 0.00 56.93 57.51 1yvj s PHE 817 Cb -0.20 -3.14 -0.08 0.00 0.51 0.00 0.00 43.02 40.11 1yvj s PHE 817 CO -0.05 -0.28 1.89 -2.00 0.70 0.00 0.00 175.22 175.48 1yvj s GLU 818 N 2.29 4.15 0.22 0.44 2.56 -1.26 -4.37 118.70 122.72 1yvj s GLU 818 Ca 0.44 2.53 -0.13 0.00 0.00 0.00 0.00 54.97 57.81 1yvj s GLU 818 Cb -0.17 -4.04 0.26 0.00 2.00 0.00 0.00 34.13 32.18 1yvj s GLU 818 CO 0.13 -0.91 1.62 1.49 -0.56 0.00 0.00 175.26 177.03 1yvj h GLU 819 N 10.08 0.00 0.00 4.30 4.57 -1.90 -1.37 114.58 130.27 1yvj h GLU 819 Ca -0.47 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1yvj h GLU 819 Cb 1.22 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1yvj h GLU 819 CO 0.94 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 178.78 1yvj h ARG 820 N 0.00 0.00 -0.33 1.92 3.08 -1.98 -1.75 114.38 115.32 1yvj h ARG 820 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1yvj h ARG 820 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1yvj h ARG 820 CO -0.67 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 178.95 1yvj n HIS 821 N -2.63 0.43 -3.03 3.04 8.25 -0.52 -4.75 115.22 116.02 1yvj n HIS 821 Ca -0.01 -0.21 -0.44 0.00 -0.26 0.00 0.00 57.72 56.79 1yvj n HIS 821 Cb 0.09 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.17 1yvj n HIS 821 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1yvj s LEU 822 N -1.46 5.19 -0.48 2.41 1.43 -0.66 0.47 118.68 125.58 1yvj s LEU 822 Ca 0.36 -1.53 -0.27 0.00 -1.03 0.00 0.00 54.13 51.66 1yvj s LEU 822 Cb 0.21 -2.34 0.03 0.00 0.03 0.00 0.00 46.19 44.11 1yvj s LEU 822 CO 0.29 -1.15 1.02 -0.75 0.23 0.00 0.00 176.35 176.00 1yvj s LYS 823 N 2.83 3.58 0.07 1.70 2.20 0.03 -4.86 119.74 125.29 1yvj s LYS 823 Ca 0.18 0.28 -0.34 0.00 -0.36 0.00 0.00 55.97 55.73 1yvj s LYS 823 Cb -0.18 -3.94 -0.13 0.00 -1.51 0.00 0.00 37.83 32.07 1yvj s LYS 823 CO 0.03 -1.34 1.69 0.98 -0.36 0.00 0.00 175.35 176.35 1yvj n TYR 824 N 7.54 2.30 -0.07 4.03 9.36 -1.26 -0.92 117.16 138.13 1yvj n TYR 824 Ca 0.08 0.16 -0.12 0.00 3.32 0.00 0.00 57.90 61.34 1yvj n TYR 824 Cb 0.49 -2.59 -0.04 0.00 -0.63 0.00 0.00 39.34 36.56 1yvj n TYR 824 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1yvj n ILE 825 N 4.05 1.31 -3.89 2.97 2.08 0.12 -4.91 119.36 121.09 1yvj n ILE 825 Ca 0.19 0.03 -0.03 0.00 0.56 0.00 0.00 62.75 63.50 1yvj n ILE 825 Cb 0.29 -2.00 0.02 0.00 -0.75 0.00 0.00 39.64 37.19 1yvj n ILE 825 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1yvj s SER 826 N -6.27 0.00 -0.18 4.38 1.04 -0.82 -5.00 113.70 106.85 1yvj s SER 826 Ca -0.24 -0.62 -0.21 0.00 0.48 0.00 0.00 55.95 55.36 1yvj s SER 826 Cb 0.06 0.46 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 1yvj s SER 826 CO 0.33 -0.92 0.62 -1.58 0.98 0.00 0.00 173.24 172.67 1yvj s GLN 827 N -2.18 4.24 -0.09 4.02 2.00 -1.26 -0.35 119.66 126.05 1yvj s GLN 827 Ca 0.22 0.62 -0.05 0.00 -2.00 0.00 0.00 55.36 54.15 1yvj s GLN 827 Cb -0.02 -3.55 -0.27 0.00 0.80 0.00 0.00 33.01 29.96 1yvj s GLN 827 CO 0.05 -0.17 0.50 -0.07 -0.50 0.00 0.00 175.29 175.09 1yvj h LEU 828 N 7.93 0.42 -7.06 3.68 3.38 -1.32 -3.45 115.31 118.88 1yvj h LEU 828 Ca -0.33 -0.83 0.25 0.00 0.09 0.00 0.00 57.88 57.06 1yvj h LEU 828 Cb 1.15 -0.14 -0.17 0.00 0.09 0.00 0.00 40.66 41.60 1yvj h LEU 828 CO 0.77 1.73 0.77 -0.83 0.09 0.00 0.00 178.44 180.97 1yvj s GLY 829 N -5.39 -0.33 0.05 0.83 0.00 -0.22 -5.00 107.32 97.26 1yvj s GLY 829 Ca -0.18 1.33 0.06 0.00 0.00 0.00 0.00 44.72 45.94 1yvj s GLY 829 CO 0.80 0.42 -0.18 1.25 0.00 0.00 0.00 173.10 175.39 1yvj s LYS 830 N -2.52 1.20 0.49 2.90 2.20 -1.26 -0.94 119.74 121.81 1yvj s LYS 830 Ca 0.10 -0.89 0.02 0.00 -0.36 0.00 0.00 55.97 54.84 1yvj s LYS 830 Cb 0.00 -1.29 -0.02 0.00 -1.51 0.00 0.00 37.83 35.01 1yvj s LYS 830 CO -0.05 0.32 0.01 0.20 -0.36 0.00 0.00 175.35 175.48 1yvj s GLY 831 N -1.22 2.93 0.51 5.54 0.00 -0.84 -4.97 107.32 109.27 1yvj s GLY 831 Ca 0.05 -0.67 0.30 0.00 0.00 0.00 0.00 44.72 44.40 1yvj s GLY 831 CO 0.02 -2.16 1.84 3.43 0.00 0.00 0.00 173.10 176.22 1yvj h ASN 832 N 1.43 0.11 -5.04 1.64 2.35 -2.02 -3.40 115.58 110.66 1yvj h ASN 832 Ca -0.43 0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.22 1yvj h ASN 832 Cb 1.30 -0.00 -0.18 0.00 0.05 0.00 0.00 38.32 39.49 1yvj h ASN 832 CO 0.74 0.03 -0.33 0.72 -1.65 0.00 0.00 177.43 176.94 1yvj s PHE 833 N -5.09 -0.05 0.34 1.19 -0.12 -1.26 -5.13 117.98 107.86 1yvj s PHE 833 Ca -0.06 -0.06 0.00 0.00 -0.05 0.00 0.00 56.93 56.77 1yvj s PHE 833 Cb 0.23 0.04 0.00 0.00 -0.63 0.00 0.00 43.02 42.65 1yvj s PHE 833 CO 0.79 -0.43 0.00 0.41 -0.05 0.00 0.00 175.22 175.94 1yvj n GLY 834 N 0.88 -2.36 3.80 1.99 0.00 -1.26 -4.92 105.19 103.31 1yvj n GLY 834 Ca -0.20 -1.21 -0.09 0.00 0.00 0.00 0.00 46.02 44.52 1yvj n GLY 834 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yvj s SER 835 N -6.52 -0.01 -0.07 1.61 1.04 -0.18 -1.99 113.70 107.57 1yvj s SER 835 Ca 0.00 -1.04 0.01 0.00 0.48 0.00 0.00 55.95 55.39 1yvj s SER 835 Cb 0.00 0.81 0.02 0.00 0.10 0.00 0.00 66.02 66.96 1yvj s SER 835 CO 0.00 -1.59 -0.07 -0.69 0.98 0.00 0.00 173.24 171.86 1yvj s VAL 836 N -2.71 0.84 0.12 5.02 1.01 -0.12 -0.95 120.40 123.61 1yvj s VAL 836 Ca 0.15 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 61.92 1yvj s VAL 836 Cb -0.05 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 1yvj s VAL 836 CO 0.11 0.31 -0.11 -1.83 0.00 0.00 0.00 175.10 173.57 1yvj s GLU 837 N 1.16 0.95 -0.16 2.72 -1.05 -0.33 -0.88 118.70 121.11 1yvj s GLU 837 Ca -0.06 -1.24 -0.24 0.00 -0.15 0.00 0.00 54.97 53.27 1yvj s GLU 837 Cb -0.14 -0.68 -0.02 0.00 -0.44 0.00 0.00 34.13 32.85 1yvj s GLU 837 CO -0.01 0.11 0.78 -1.17 0.95 0.00 0.00 175.26 175.91 1yvj s LEU 838 N -2.59 4.19 0.31 1.83 0.20 0.53 -1.61 118.68 121.54 1yvj s LEU 838 Ca 0.09 1.12 0.03 0.00 0.69 0.00 0.00 54.13 56.05 1yvj s LEU 838 Cb -0.03 -3.15 -0.06 0.00 -0.43 0.00 0.00 46.19 42.53 1yvj s LEU 838 CO 0.01 -0.33 0.08 0.00 -0.29 0.00 0.00 176.35 175.82 1yvj s ARG 840 N -3.92 1.69 -0.69 0.00 3.52 -0.10 -0.37 118.95 119.08 1yvj s ARG 840 Ca 0.36 -0.37 -0.27 0.00 -0.13 0.00 0.00 55.73 55.32 1yvj s ARG 840 Cb 0.08 -1.54 0.01 0.00 -1.56 0.00 0.00 34.95 31.94 1yvj s ARG 840 CO 0.15 -0.10 1.56 -0.47 -0.81 0.00 0.00 175.30 175.62 1yvj s TYR 841 N 1.12 1.99 -0.64 5.12 5.04 0.11 -0.79 117.35 129.30 1yvj s TYR 841 Ca -0.06 0.33 0.05 0.00 -2.44 0.00 0.00 57.07 54.95 1yvj s TYR 841 Cb -0.14 -4.38 0.18 0.00 0.35 0.00 0.00 41.96 37.98 1yvj s TYR 841 CO -0.02 -2.18 0.51 -3.47 -1.34 0.00 0.00 175.55 169.06 1yvj n ASP 842 N 10.98 2.52 -0.13 4.32 4.64 0.18 -3.75 116.55 135.30 1yvj n ASP 842 Ca 0.12 -3.11 0.08 0.00 -1.38 0.00 0.00 54.79 50.50 1yvj n ASP 842 Cb 0.50 -0.71 0.41 0.00 -1.04 0.00 0.00 41.12 40.28 1yvj n ASP 842 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1yvj h PRO 843 N 5.18 0.61 0.00 -0.67 0.11 -1.92 -2.48 132.00 132.84 1yvj h PRO 843 Ca 0.17 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 1yvj h PRO 843 Cb 0.77 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.74 1yvj h PRO 843 CO 0.68 0.40 -0.00 1.37 -0.21 0.00 0.00 178.00 180.23 1yvj h LEU 844 N 0.62 0.00 0.00 2.35 -0.00 -1.95 -3.47 115.31 112.87 1yvj h LEU 844 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.16 1yvj h LEU 844 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.97 1yvj h LEU 844 CO -0.09 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 178.97 1yvj n GLY 845 N 1.02 0.52 0.28 0.17 0.00 -0.93 -4.74 105.19 101.51 1yvj n GLY 845 Ca 0.04 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.25 1yvj n GLY 845 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1yvj h ASP 846 N 0.00 0.00 0.00 1.61 1.82 -1.90 -3.47 116.42 114.48 1yvj h ASP 846 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1yvj h ASP 846 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1yvj h ASP 846 CO 0.00 0.00 0.00 -3.20 -1.61 0.00 0.00 179.24 174.43 1yvj n ASN 847 N -2.97 -3.11 -0.85 2.28 5.15 -1.26 -4.91 115.26 109.59 1yvj n ASN 847 Ca -0.01 0.00 0.11 0.00 -0.60 0.00 0.00 54.58 54.08 1yvj n ASN 847 Cb 0.19 -0.64 0.28 0.00 -0.53 0.00 0.00 39.78 39.08 1yvj n ASN 847 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1yvj n THR 848 N -2.94 0.31 -2.38 -0.44 -2.24 -1.26 -4.93 114.28 100.40 1yvj n THR 848 Ca 0.00 -0.53 -0.33 0.00 -2.27 0.00 0.00 64.05 60.92 1yvj n THR 848 Cb 0.02 0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 68.97 1yvj n THR 848 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1yvj s GLY 849 N -1.58 2.21 0.45 3.38 0.00 -1.25 -5.01 107.32 105.52 1yvj s GLY 849 Ca 0.35 0.35 -0.22 0.00 0.00 0.00 0.00 44.72 45.21 1yvj s GLY 849 CO 0.29 0.65 1.04 0.00 0.00 0.00 0.00 173.10 175.08 1yvj s ALA 850 N -2.39 2.95 0.12 3.20 0.00 -1.25 -4.59 121.76 119.80 1yvj s ALA 850 Ca 0.62 0.64 -0.26 0.00 0.00 0.00 0.00 51.96 52.96 1yvj s ALA 850 Cb -0.13 -3.26 -0.07 0.00 0.00 0.00 0.00 23.12 19.67 1yvj s ALA 850 CO 0.28 -0.27 0.82 -0.51 0.00 0.00 0.00 175.76 176.07 1yvj s LEU 851 N -3.18 4.53 0.22 0.00 1.43 -1.26 -0.71 118.68 119.71 1yvj s LEU 851 Ca 0.64 1.62 0.00 0.00 -1.03 0.00 0.00 54.13 55.36 1yvj s LEU 851 Cb -0.18 -3.34 -0.05 0.00 0.03 0.00 0.00 46.19 42.65 1yvj s LEU 851 CO 0.23 0.09 0.09 0.68 0.23 0.00 0.00 176.35 177.67 1yvj s VAL 852 N -0.57 0.36 -0.28 -1.59 -7.23 0.50 -4.35 120.40 107.23 1yvj s VAL 852 Ca 0.39 -1.99 -0.08 0.00 -1.81 0.00 0.00 61.98 58.49 1yvj s VAL 852 Cb -0.22 -2.46 -0.01 0.00 0.56 0.00 0.00 36.38 34.24 1yvj s VAL 852 CO 0.26 -0.12 0.10 0.00 -0.31 0.00 0.00 175.10 175.03 1yvj s ALA 853 N -3.90 3.16 -0.22 1.32 0.00 -0.22 -1.88 121.76 120.03 1yvj s ALA 853 Ca 0.35 -1.31 0.02 0.00 0.00 0.00 0.00 51.96 51.02 1yvj s ALA 853 Cb 0.07 -2.19 0.04 0.00 0.00 0.00 0.00 23.12 21.04 1yvj s ALA 853 CO 0.11 -0.75 -0.15 0.08 0.00 0.00 0.00 175.76 175.04 1yvj s VAL 854 N 1.58 2.12 0.01 0.00 1.01 -0.64 0.19 120.40 124.67 1yvj s VAL 854 Ca 0.05 -1.29 -0.06 0.00 0.00 0.00 0.00 61.98 60.67 1yvj s VAL 854 Cb -0.16 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 1yvj s VAL 854 CO 0.04 0.25 0.26 -0.75 0.00 0.00 0.00 175.10 174.90 1yvj s LYS 855 N 1.19 3.57 -0.01 2.72 2.20 -0.31 -1.19 119.74 127.92 1yvj s LYS 855 Ca -0.02 -0.10 -0.15 0.00 -0.36 0.00 0.00 55.97 55.34 1yvj s LYS 855 Cb -0.17 -3.07 0.02 0.00 -1.51 0.00 0.00 37.83 33.11 1yvj s LYS 855 CO -0.09 0.65 0.33 1.14 -0.36 0.00 0.00 175.35 177.01 1yvj s GLN 856 N -1.80 0.70 0.10 4.03 0.00 -0.12 -1.38 119.66 121.20 1yvj s GLN 856 Ca 0.28 -0.21 -0.20 0.00 -0.00 0.00 0.00 55.36 55.23 1yvj s GLN 856 Cb -0.13 0.31 -0.07 0.00 0.00 0.00 0.00 33.01 33.12 1yvj s GLN 856 CO 0.16 -0.20 0.60 -0.51 0.00 0.00 0.00 175.29 175.35 1yvj s LEU 857 N -1.40 4.51 0.00 2.60 1.02 -1.26 -1.01 118.68 123.13 1yvj s LEU 857 Ca -0.13 1.30 0.19 0.00 0.02 0.00 0.00 54.13 55.51 1yvj s LEU 857 Cb -0.05 -3.01 0.52 0.00 0.02 0.00 0.00 46.19 43.67 1yvj s LEU 857 CO 0.04 0.24 1.43 0.00 0.02 0.00 0.00 176.35 178.07 1yvj n GLN 858 N 1.57 2.23 -3.32 1.70 3.00 -1.26 -4.56 117.38 116.74 1yvj n GLN 858 Ca -0.09 -1.90 -0.19 0.00 -0.01 0.00 0.00 57.00 54.81 1yvj n GLN 858 Cb 0.51 -1.44 -0.08 0.00 0.00 0.00 0.00 30.24 29.23 1yvj n GLN 858 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 1yvj s HIS 859 N -1.39 -0.02 -0.26 1.08 5.65 -1.26 -4.98 115.29 114.11 1yvj s HIS 859 Ca 0.36 -1.21 -0.25 0.00 0.25 0.00 0.00 55.06 54.21 1yvj s HIS 859 Cb 0.20 -0.50 0.00 0.00 -1.18 0.00 0.00 32.58 31.10 1yvj s HIS 859 CO 0.26 -0.95 0.88 -1.12 -0.65 0.00 0.00 174.74 173.16 1yvj s SER 860 N 1.05 6.85 0.06 9.88 0.01 -1.26 -4.73 113.70 125.56 1yvj s SER 860 Ca 0.21 1.00 -0.26 0.00 1.31 0.00 0.00 55.95 58.21 1yvj s SER 860 Cb -0.11 -2.46 0.08 0.00 0.21 0.00 0.00 66.02 63.74 1yvj s SER 860 CO -0.05 -0.60 0.69 -0.83 0.41 0.00 0.00 173.24 172.86 1yvj s GLY 861 N 1.42 -0.56 -1.08 3.44 0.00 -1.26 -5.04 107.32 104.23 1yvj s GLY 861 Ca 0.37 0.88 -0.16 0.00 0.00 0.00 0.00 44.72 45.81 1yvj s GLY 861 CO 0.09 0.44 2.13 -1.05 0.00 0.00 0.00 173.10 174.71 1yvj n PRO 862 N 0.03 2.19 0.06 2.90 -0.02 -1.26 -2.81 135.00 136.08 1yvj n PRO 862 Ca -0.16 -2.06 0.00 0.00 -2.02 0.00 0.00 63.50 59.26 1yvj n PRO 862 Cb 0.62 -2.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 1yvj n PRO 862 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1yvj n ASP 863 N 6.26 -1.00 0.07 2.55 2.03 -1.26 -4.89 116.55 120.31 1yvj n ASP 863 Ca 0.52 0.28 0.12 0.00 0.52 0.00 0.00 54.79 56.23 1yvj n ASP 863 Cb 0.35 1.19 0.27 0.00 -0.72 0.00 0.00 41.12 42.20 1yvj n ASP 863 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1yvj n GLN 864 N -2.67 0.25 0.09 -0.67 0.00 -1.21 -3.18 117.38 109.99 1yvj n GLN 864 Ca 0.00 0.12 -0.15 0.00 0.00 0.00 0.00 57.00 56.96 1yvj n GLN 864 Cb 0.00 -1.70 -0.10 0.00 0.00 0.00 0.00 30.24 28.44 1yvj n GLN 864 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 1yvj h GLN 865 N 0.00 0.35 -0.48 2.61 5.75 -1.81 -1.82 115.11 119.71 1yvj h GLN 865 Ca 0.00 -0.49 0.00 0.00 -0.15 0.00 0.00 58.65 58.01 1yvj h GLN 865 Cb 0.72 0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.41 1yvj h GLN 865 CO 0.00 1.19 0.31 0.00 -2.65 0.00 0.00 178.83 177.67 1yvj h ARG 866 N 0.15 0.63 -0.15 1.69 -0.00 -1.80 0.33 114.38 115.23 1yvj h ARG 866 Ca -0.12 -0.04 -0.10 0.00 -0.50 0.00 0.00 59.98 59.22 1yvj h ARG 866 Cb 1.82 -0.14 0.00 0.00 0.00 0.00 0.00 29.97 31.65 1yvj h ARG 866 CO 0.19 0.43 -0.30 -0.44 0.00 0.00 0.00 179.97 179.85 1yvj h ASP 867 N 0.65 0.52 -0.60 7.04 3.45 -1.54 -2.87 116.42 123.07 1yvj h ASP 867 Ca 0.17 -0.56 -0.04 0.00 0.43 0.00 0.00 57.03 57.03 1yvj h ASP 867 Cb -0.06 -0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 38.53 1yvj h ASP 867 CO -0.04 0.98 0.22 0.15 -1.57 0.00 0.00 179.24 178.99 1yvj h PHE 868 N 0.09 0.97 -0.37 4.55 3.57 -0.63 -0.65 116.94 124.47 1yvj h PHE 868 Ca 0.00 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.44 1yvj h PHE 868 Cb 0.90 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 1yvj h PHE 868 CO 0.10 0.76 0.23 0.37 -2.23 0.00 0.00 178.31 177.54 1yvj h GLN 869 N 0.92 0.45 -0.61 1.11 5.75 -0.40 -1.23 115.11 121.11 1yvj h GLN 869 Ca 0.21 -0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 58.59 1yvj h GLN 869 Cb 0.23 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 1yvj h GLN 869 CO -0.01 0.30 0.01 -0.09 -2.65 0.00 0.00 178.83 176.38 1yvj h ARG 870 N 0.46 1.06 -0.94 1.69 9.65 -1.24 -2.30 114.38 122.76 1yvj h ARG 870 Ca 0.14 -0.33 0.04 0.00 -1.10 0.00 0.00 59.98 58.73 1yvj h ARG 870 Cb -0.02 -0.10 -0.06 0.00 -1.39 0.00 0.00 29.97 28.41 1yvj h ARG 870 CO -0.05 1.03 0.61 1.49 2.80 0.00 0.00 179.97 185.85 1yvj h GLU 871 N 0.97 1.13 -0.49 0.20 4.81 -0.72 -0.81 114.58 119.67 1yvj h GLU 871 Ca 0.17 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.21 1yvj h GLU 871 Cb 0.55 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1yvj h GLU 871 CO 0.03 0.75 -0.20 0.82 -0.73 0.00 0.00 179.01 179.68 1yvj h ILE 872 N 1.16 1.27 -0.37 2.32 2.04 -0.99 -2.48 117.51 120.46 1yvj h ILE 872 Ca 0.38 -1.36 -0.11 0.00 1.00 0.00 0.00 64.86 64.77 1yvj h ILE 872 Cb 0.04 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1yvj h ILE 872 CO -0.12 0.47 -0.22 1.56 0.00 0.00 0.00 178.15 179.85 1yvj h GLN 873 N 0.86 0.73 0.86 2.37 1.08 -0.86 -2.14 115.11 118.02 1yvj h GLN 873 Ca 0.11 -0.29 -0.04 0.00 -1.45 0.00 0.00 58.65 56.99 1yvj h GLN 873 Cb 0.78 -0.04 0.01 0.00 -0.05 0.00 0.00 27.48 28.18 1yvj h GLN 873 CO 0.06 0.88 -0.41 0.82 -0.95 0.00 0.00 178.83 179.23 1yvj h ILE 874 N 0.64 0.00 -0.44 2.54 2.04 -1.11 -1.66 117.51 119.52 1yvj h ILE 874 Ca 0.09 -0.15 0.08 0.00 1.00 0.00 0.00 64.86 65.88 1yvj h ILE 874 Cb 0.71 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1yvj h ILE 874 CO 0.05 0.00 0.30 0.25 0.00 0.00 0.00 178.15 178.76 1yvj h LEU 875 N -1.31 0.20 -0.79 1.44 5.85 -1.49 0.57 115.31 119.78 1yvj h LEU 875 Ca -0.12 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.50 1yvj h LEU 875 Cb 0.89 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1yvj h LEU 875 CO 0.19 0.13 -0.20 0.50 -0.34 0.00 0.00 178.44 178.72 1yvj h LYS 876 N 0.23 0.70 0.00 1.25 3.64 -1.29 -2.98 116.57 118.12 1yvj h LYS 876 Ca 0.20 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1yvj h LYS 876 Cb 0.50 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1yvj h LYS 876 CO -0.04 0.85 0.00 0.00 -2.27 0.00 0.00 179.45 177.99 1yvj h ALA 877 N 1.16 1.00 -2.23 5.00 0.00 0.05 -3.45 119.26 120.79 1yvj h ALA 877 Ca 0.09 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.44 1yvj h ALA 877 Cb 0.68 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1yvj h ALA 877 CO 0.05 0.00 0.68 -0.51 0.00 0.00 0.00 179.25 179.47 1yvj s LEU 878 N -6.10 4.22 -0.62 0.00 1.43 -0.42 -5.00 118.68 112.19 1yvj s LEU 878 Ca 0.07 1.60 0.04 0.00 -1.03 0.00 0.00 54.13 54.81 1yvj s LEU 878 Cb 0.06 -3.55 0.16 0.00 0.03 0.00 0.00 46.19 42.88 1yvj s LEU 878 CO 0.66 -0.56 0.42 -1.00 0.23 0.00 0.00 176.35 176.10 1yvj s HIS 879 N 2.44 3.07 -0.00 0.29 3.76 -1.26 -4.87 115.29 118.73 1yvj s HIS 879 Ca 0.50 -3.12 -0.01 0.00 -0.15 0.00 0.00 55.06 52.29 1yvj s HIS 879 Cb -0.20 -2.43 -0.00 0.00 1.11 0.00 0.00 32.58 31.06 1yvj s HIS 879 CO 0.16 -0.63 0.02 0.45 -0.85 0.00 0.00 174.74 173.89 1yvj s SER 880 N -0.95 0.04 0.49 1.40 0.15 -1.26 -5.02 113.70 108.55 1yvj s SER 880 Ca 0.24 -0.09 0.33 0.00 0.70 0.00 0.00 55.95 57.13 1yvj s SER 880 Cb -0.08 0.07 1.49 0.00 -1.71 0.00 0.00 66.02 65.79 1yvj s SER 880 CO -0.13 -0.10 1.98 0.44 1.20 0.00 0.00 173.24 176.63 1yvj h ASP 881 N 5.68 0.00 -0.54 5.45 3.45 -1.98 -2.84 116.42 125.64 1yvj h ASP 881 Ca -0.26 0.00 -0.22 0.00 0.43 0.00 0.00 57.03 56.97 1yvj h ASP 881 Cb 1.21 0.00 -0.13 0.00 -0.56 0.00 0.00 39.33 39.84 1yvj h ASP 881 CO 0.47 0.00 0.16 0.49 -1.57 0.00 0.00 179.24 178.79 1yvj n PHE 882 N -2.82 1.74 -3.75 4.55 3.01 -1.26 -4.75 117.46 114.17 1yvj n PHE 882 Ca 0.00 -1.44 -0.20 0.00 1.01 0.00 0.00 57.45 56.82 1yvj n PHE 882 Cb 0.22 -0.59 -0.17 0.00 -0.01 0.00 0.00 39.48 38.92 1yvj n PHE 882 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1yvj s ILE 883 N -3.13 0.08 -0.33 4.37 1.01 -1.07 -1.17 121.20 120.96 1yvj s ILE 883 Ca 0.49 0.27 -0.44 0.00 0.00 0.00 0.00 60.65 60.97 1yvj s ILE 883 Cb 0.42 -0.27 -0.19 0.00 0.01 0.00 0.00 42.46 42.43 1yvj s ILE 883 CO 0.06 0.19 1.55 0.55 0.00 0.00 0.00 174.94 177.29 1yvj n VAL 884 N 4.95 0.08 -2.24 2.92 3.14 -0.60 -4.71 118.33 121.87 1yvj n VAL 884 Ca -0.11 -0.01 -0.42 0.00 -2.96 0.00 0.00 64.34 60.84 1yvj n VAL 884 Cb 0.50 -0.64 -0.03 0.00 -1.06 0.00 0.00 33.84 32.61 1yvj n VAL 884 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1yvj s LYS 885 N 2.55 4.33 0.14 1.45 2.20 -1.26 -4.94 119.74 124.21 1yvj s LYS 885 Ca 1.00 1.98 -0.30 0.00 -0.36 0.00 0.00 55.97 58.29 1yvj s LYS 885 Cb -1.32 -3.35 -0.06 0.00 -1.51 0.00 0.00 37.83 31.58 1yvj s LYS 885 CO 0.72 -0.44 0.96 -0.47 -0.36 0.00 0.00 175.35 175.77 1yvj s TYR 886 N 1.43 3.83 -0.16 4.03 5.04 -1.26 -0.83 117.35 129.43 1yvj s TYR 886 Ca 0.63 1.81 -0.00 0.00 -2.44 0.00 0.00 57.07 57.07 1yvj s TYR 886 Cb -0.34 -3.05 -0.10 0.00 0.35 0.00 0.00 41.96 38.82 1yvj s TYR 886 CO 0.29 0.21 -0.15 0.54 -1.34 0.00 0.00 175.55 175.10 1yvj n ARG 887 N 2.54 0.39 -3.56 4.97 5.12 0.54 -4.85 116.66 121.81 1yvj n ARG 887 Ca 0.02 0.10 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 1yvj n ARG 887 Cb 0.49 -1.28 0.00 0.00 -1.16 0.00 0.00 32.46 30.51 1yvj n ARG 887 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1yvj n GLY 888 N 2.61 -1.24 3.40 -0.13 0.00 -0.82 -4.02 105.19 104.99 1yvj n GLY 888 Ca -0.29 -1.02 -0.20 0.00 0.00 0.00 0.00 46.02 44.51 1yvj n GLY 888 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1yvj s VAL 889 N -3.00 1.50 -0.34 1.61 -7.23 0.25 -0.93 120.40 112.26 1yvj s VAL 889 Ca 0.00 -2.11 -0.00 0.00 -1.81 0.00 0.00 61.98 58.06 1yvj s VAL 889 Cb 0.00 -2.40 0.13 0.00 0.56 0.00 0.00 36.38 34.68 1yvj s VAL 889 CO 0.00 -0.33 0.22 -0.55 -0.31 0.00 0.00 175.10 174.13 1yvj s SER 890 N -3.40 2.77 -1.07 4.85 0.15 -0.28 -0.09 113.70 116.62 1yvj s SER 890 Ca 0.29 -1.83 -0.25 0.00 0.70 0.00 0.00 55.95 54.86 1yvj s SER 890 Cb 0.04 -0.20 -0.15 0.00 -1.71 0.00 0.00 66.02 64.00 1yvj s SER 890 CO 0.11 -0.34 2.06 -0.31 1.20 0.00 0.00 173.24 175.97 1yvj s TYR 891 N 1.42 1.54 0.10 3.44 1.51 -1.26 -2.16 117.35 121.94 1yvj s TYR 891 Ca 0.15 1.42 0.00 0.00 -1.01 0.00 0.00 57.07 57.63 1yvj s TYR 891 Cb -0.20 -3.66 0.00 0.00 -0.11 0.00 0.00 41.96 37.99 1yvj s TYR 891 CO -0.10 -1.08 0.00 0.41 -1.11 0.00 0.00 175.55 173.67 1yvj n GLY 892 N 6.18 0.00 1.93 0.71 0.00 -0.17 -4.75 105.19 109.09 1yvj n GLY 892 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1yvj n GLY 892 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1yvj n PRO 893 N 0.58 0.00 -0.31 1.61 -0.04 -1.26 -3.69 135.00 131.89 1yvj n PRO 893 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1yvj n PRO 893 Cb 0.00 -0.39 0.00 0.00 -0.04 0.00 0.00 33.50 33.07 1yvj n PRO 893 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yvj n GLY 894 N 1.14 -1.46 0.00 0.55 0.00 -1.26 -5.03 105.19 99.13 1yvj n GLY 894 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1yvj n GLY 894 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1yvj n ARG 895 N 1.31 2.65 0.00 1.61 1.85 -1.24 -4.56 116.66 118.27 1yvj n ARG 895 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1yvj n ARG 895 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1yvj n ARG 895 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1yvj n PRO 896 N 0.00 0.00 -2.37 2.89 -0.02 -1.26 -5.06 135.00 129.17 1yvj n PRO 896 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 1yvj n PRO 896 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1yvj n PRO 896 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1yvj n GLU 897 N -0.84 3.98 -2.33 -0.52 1.02 -1.26 -4.98 120.64 115.71 1yvj n GLU 897 Ca 0.00 -3.69 -0.38 0.00 -0.02 0.00 0.00 57.16 53.06 1yvj n GLU 897 Cb 0.00 -2.80 -0.03 0.00 -0.02 0.00 0.00 31.44 28.60 1yvj n GLU 897 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1yvj s LEU 898 N -1.02 4.25 -0.03 -4.62 0.20 -1.26 -1.00 118.68 115.20 1yvj s LEU 898 Ca 0.41 2.33 0.01 0.00 0.69 0.00 0.00 54.13 57.56 1yvj s LEU 898 Cb 0.11 -3.96 0.02 0.00 -0.43 0.00 0.00 46.19 41.93 1yvj s LEU 898 CO -0.00 -0.57 -0.02 -0.13 -0.29 0.00 0.00 176.35 175.34 1yvj s ARG 899 N -2.17 0.42 -0.17 1.98 0.52 -0.92 -4.54 118.95 114.08 1yvj s ARG 899 Ca 0.55 -0.00 -0.20 0.00 -0.52 0.00 0.00 55.73 55.55 1yvj s ARG 899 Cb -0.31 -0.53 -0.03 0.00 0.52 0.00 0.00 34.95 34.61 1yvj s ARG 899 CO 0.39 -0.08 0.59 -1.17 0.02 0.00 0.00 175.30 175.05 1yvj s LEU 900 N 0.80 4.19 -0.24 2.53 2.96 -0.48 -1.13 118.68 127.31 1yvj s LEU 900 Ca -0.09 0.85 -0.05 0.00 -0.22 0.00 0.00 54.13 54.62 1yvj s LEU 900 Cb -0.12 -2.85 -0.01 0.00 0.50 0.00 0.00 46.19 43.71 1yvj s LEU 900 CO -0.01 -0.19 0.01 -0.69 -1.32 0.00 0.00 176.35 174.16 1yvj s VAL 901 N 1.48 3.73 0.33 1.68 1.01 -0.11 -1.16 120.40 127.36 1yvj s VAL 901 Ca 0.29 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.87 1yvj s VAL 901 Cb -0.16 -2.77 -0.07 0.00 0.00 0.00 0.00 36.38 33.39 1yvj s VAL 901 CO 0.11 0.32 -0.02 -0.04 0.00 0.00 0.00 175.10 175.48 1yvj s MET 902 N 1.52 1.71 0.84 2.72 1.00 0.13 -0.34 119.30 126.88 1yvj s MET 902 Ca 0.05 -1.91 -0.11 0.00 0.00 0.00 0.00 55.69 53.72 1yvj s MET 902 Cb -0.15 -1.28 0.10 0.00 0.00 0.00 0.00 34.83 33.50 1yvj s MET 902 CO -0.00 -0.02 1.13 -1.83 0.00 0.00 0.00 175.02 174.30 1yvj s GLU 903 N -3.75 1.59 -0.15 2.03 -1.05 -0.01 -1.05 118.70 116.32 1yvj s GLU 903 Ca 0.33 1.45 -0.01 0.00 -0.15 0.00 0.00 54.97 56.59 1yvj s GLU 903 Cb 0.06 -1.80 -0.01 0.00 -0.44 0.00 0.00 34.13 31.94 1yvj s GLU 903 CO 0.15 -2.19 -0.11 -0.47 0.95 0.00 0.00 175.26 173.59 1yvj s TYR 904 N -2.65 2.85 -0.56 4.83 5.04 -1.26 -4.04 117.35 121.55 1yvj s TYR 904 Ca 0.66 -0.68 -0.02 0.00 -2.44 0.00 0.00 57.07 54.59 1yvj s TYR 904 Cb -0.22 -1.89 0.15 0.00 0.35 0.00 0.00 41.96 40.35 1yvj s TYR 904 CO 0.55 -0.26 0.37 -0.51 -1.34 0.00 0.00 175.55 174.37 1yvj s LEU 905 N 0.52 5.18 0.37 6.97 1.02 -1.26 -5.00 118.68 126.48 1yvj s LEU 905 Ca -0.08 -2.66 0.20 0.00 0.02 0.00 0.00 54.13 51.61 1yvj s LEU 905 Cb -0.15 -1.83 1.23 0.00 0.02 0.00 0.00 46.19 45.45 1yvj s LEU 905 CO 0.04 -0.40 1.64 -0.65 0.02 0.00 0.00 176.35 176.99 1yvj h PRO 906 N 7.25 0.19 0.00 1.29 0.11 -1.93 -1.67 132.00 137.24 1yvj h PRO 906 Ca -0.05 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1yvj h PRO 906 Cb 0.97 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1yvj h PRO 906 CO 0.71 0.13 0.00 0.43 -0.21 0.00 0.00 178.00 179.05 1yvj n SER 907 N -5.01 0.00 0.00 -2.05 7.64 -1.26 -4.96 113.62 107.99 1yvj n SER 907 Ca 0.34 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.68 1yvj n SER 907 Cb 1.15 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 1yvj n SER 907 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yvj n GLY 908 N -1.01 -1.86 3.88 0.23 0.00 -0.63 -4.79 105.19 101.01 1yvj n GLY 908 Ca 0.01 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.34 1yvj n GLY 908 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yvj h LEU 910 N 1.68 -0.17 -0.41 0.00 5.85 0.14 -2.27 115.31 120.12 1yvj h LEU 910 Ca -0.47 0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.43 1yvj h LEU 910 Cb 1.18 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 42.40 1yvj h LEU 910 CO 0.65 -0.09 -0.26 -0.09 -0.34 0.00 0.00 178.44 178.31 1yvj h ARG 911 N 0.17 -0.02 -0.68 1.25 2.43 -1.76 0.21 114.38 115.97 1yvj h ARG 911 Ca 0.35 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.49 1yvj h ARG 911 Cb 0.58 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 1yvj h ARG 911 CO -0.52 -0.02 0.30 -0.44 -1.51 0.00 0.00 179.97 177.79 1yvj h ASP 912 N -0.02 0.89 -0.66 -3.80 3.32 -1.88 -2.88 116.42 111.39 1yvj h ASP 912 Ca 0.07 -0.11 0.06 0.00 0.02 0.00 0.00 57.03 57.07 1yvj h ASP 912 Cb 0.20 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.46 1yvj h ASP 912 CO -0.40 0.77 0.36 0.15 -1.72 0.00 0.00 179.24 178.41 1yvj h PHE 913 N 0.97 0.67 0.00 4.55 3.57 -0.57 0.18 116.94 126.31 1yvj h PHE 913 Ca 0.23 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 1yvj h PHE 913 Cb 0.14 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 1yvj h PHE 913 CO 0.01 0.32 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.24 1yvj h LEU 914 N 0.67 0.00 0.16 0.59 3.38 -0.44 -1.14 115.31 118.53 1yvj h LEU 914 Ca 0.29 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.91 1yvj h LEU 914 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1yvj h LEU 914 CO -0.18 0.10 -1.80 1.56 0.09 0.00 0.00 178.44 178.21 1yvj h GLN 915 N 0.00 0.34 0.00 1.13 4.20 -1.16 -1.65 115.11 117.98 1yvj h GLN 915 Ca -0.00 -0.59 -0.05 0.00 0.06 0.00 0.00 58.65 58.07 1yvj h GLN 915 Cb 0.28 0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1yvj h GLN 915 CO 0.01 1.28 -0.24 -0.09 -0.67 0.00 0.00 178.83 179.12 1yvj h ARG 916 N 0.06 0.00 0.00 1.46 2.43 -0.51 -3.18 114.38 114.64 1yvj h ARG 916 Ca -0.37 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 1yvj h ARG 916 Cb 2.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.60 1yvj h ARG 916 CO 0.14 0.24 -0.07 0.72 -1.51 0.00 0.00 179.97 179.49 1yvj n HIS 917 N -3.51 0.00 -0.63 2.20 8.25 -0.45 -4.83 115.22 116.25 1yvj n HIS 917 Ca -0.01 -0.79 0.48 0.00 -0.26 0.00 0.00 57.72 57.14 1yvj n HIS 917 Cb 0.40 -0.12 0.74 0.00 1.12 0.00 0.00 29.99 32.13 1yvj n HIS 917 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1yvj n ARG 918 N -1.13 0.00 0.00 -0.41 0.63 -0.62 -2.64 116.66 112.50 1yvj n ARG 918 Ca 0.12 1.02 0.00 0.00 -0.92 0.00 0.00 57.85 58.07 1yvj n ARG 918 Cb 0.61 -2.37 0.00 0.00 0.45 0.00 0.00 32.46 31.15 1yvj n ARG 918 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1yvj n ALA 919 N -2.81 0.00 -0.34 5.13 0.00 -1.26 -4.24 120.51 116.98 1yvj n ALA 919 Ca 0.40 0.00 0.26 0.00 0.00 0.00 0.00 53.44 54.11 1yvj n ALA 919 Cb 1.87 0.00 0.41 0.00 0.00 0.00 0.00 19.45 21.74 1yvj n ALA 919 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1yvj n ARG 920 N -0.15 -0.00 -2.66 0.00 1.74 -1.11 -4.33 116.66 110.15 1yvj n ARG 920 Ca 0.00 0.59 -0.43 0.00 -0.77 0.00 0.00 57.85 57.24 1yvj n ARG 920 Cb 0.00 -1.31 -0.02 0.00 -1.02 0.00 0.00 32.46 30.11 1yvj n ARG 920 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1yvj s LEU 921 N -6.35 4.17 0.37 0.55 1.43 -1.08 -5.04 118.68 112.72 1yvj s LEU 921 Ca -0.03 1.47 0.08 0.00 -1.03 0.00 0.00 54.13 54.62 1yvj s LEU 921 Cb 0.15 -3.55 -0.07 0.00 0.03 0.00 0.00 46.19 42.75 1yvj s LEU 921 CO 0.46 -0.57 -0.01 1.51 0.23 0.00 0.00 176.35 177.97 1yvj s ASP 922 N 1.19 3.96 0.28 2.29 3.84 -1.26 -4.96 116.67 122.01 1yvj s ASP 922 Ca 0.47 -1.19 -0.08 0.00 -0.00 0.00 0.00 52.55 51.75 1yvj s ASP 922 Cb -0.17 -0.42 0.46 0.00 -1.38 0.00 0.00 42.92 41.41 1yvj s ASP 922 CO 0.12 -0.32 1.55 0.00 -0.00 0.00 0.00 175.17 176.51 1yvj n ALA 923 N -0.94 0.24 -0.36 2.11 0.00 -1.26 -0.95 120.51 119.36 1yvj n ALA 923 Ca -0.04 1.09 0.01 0.00 0.00 0.00 0.00 53.44 54.50 1yvj n ALA 923 Cb 0.64 -0.66 0.16 0.00 0.00 0.00 0.00 19.45 19.60 1yvj n ALA 923 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1yvj h SER 924 N 0.00 1.06 -0.51 0.00 4.64 -1.91 0.87 113.55 117.71 1yvj h SER 924 Ca 0.48 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.72 1yvj h SER 924 Cb 0.73 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 1yvj h SER 924 CO -1.02 0.72 0.05 -0.09 -0.87 0.00 0.00 176.83 175.63 1yvj h ARG 925 N 1.23 0.86 -0.48 4.77 9.65 -1.45 0.69 114.38 129.65 1yvj h ARG 925 Ca 0.40 -0.25 -0.05 0.00 -1.10 0.00 0.00 59.98 58.98 1yvj h ARG 925 Cb 0.03 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.49 1yvj h ARG 925 CO -0.13 0.87 0.08 -0.07 2.80 0.00 0.00 179.97 183.52 1yvj h LEU 926 N 0.74 0.69 -0.85 3.80 3.38 -0.85 -1.48 115.31 120.74 1yvj h LEU 926 Ca 0.15 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1yvj h LEU 926 Cb 0.44 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1yvj h LEU 926 CO 0.02 0.70 -0.37 -0.07 0.09 0.00 0.00 178.44 178.81 1yvj h LEU 927 N 0.71 0.42 -0.29 1.67 3.38 -0.52 -0.69 115.31 119.99 1yvj h LEU 927 Ca 0.15 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1yvj h LEU 927 Cb 0.31 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1yvj h LEU 927 CO 0.00 0.76 0.17 0.25 0.09 0.00 0.00 178.44 179.71 1yvj h LEU 928 N 0.34 0.35 -0.99 1.67 5.85 0.06 0.40 115.31 122.99 1yvj h LEU 928 Ca 0.04 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 1yvj h LEU 928 Cb 0.81 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1yvj h LEU 928 CO 0.06 0.30 0.10 1.88 -0.34 0.00 0.00 178.44 180.44 1yvj h TYR 929 N 0.36 0.87 -0.07 1.25 0.05 -1.07 -0.65 116.97 117.72 1yvj h TYR 929 Ca 0.10 -0.09 -0.00 0.00 0.05 0.00 0.00 58.73 58.79 1yvj h TYR 929 Cb 0.02 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 37.51 1yvj h TYR 929 CO -0.04 0.74 0.04 0.77 -1.05 0.00 0.00 178.16 178.62 1yvj h SER 930 N 0.80 0.08 -0.41 3.88 0.02 -0.67 0.13 113.55 117.37 1yvj h SER 930 Ca 0.17 -0.07 0.06 0.00 -0.84 0.00 0.00 61.79 61.12 1yvj h SER 930 Cb 0.34 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.80 1yvj h SER 930 CO 0.00 0.12 0.08 -1.28 -1.14 0.00 0.00 176.83 174.62 1yvj h SER 931 N 0.03 0.01 -0.35 3.07 0.87 0.16 0.79 113.55 118.13 1yvj h SER 931 Ca 0.02 0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.55 1yvj h SER 931 Cb 0.06 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 1yvj h SER 931 CO -0.00 0.04 -0.15 1.56 -0.53 0.00 0.00 176.83 177.75 1yvj h GLN 932 N 0.21 0.81 -0.61 2.24 4.20 -0.96 -1.26 115.11 119.74 1yvj h GLN 932 Ca 0.20 -0.29 -0.09 0.00 0.06 0.00 0.00 58.65 58.53 1yvj h GLN 932 Cb 0.24 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1yvj h GLN 932 CO -0.26 0.91 0.03 0.82 -0.67 0.00 0.00 178.83 179.65 1yvj h ILE 933 N 0.72 1.26 -0.69 2.54 2.04 -0.55 -1.71 117.51 121.13 1yvj h ILE 933 Ca 0.11 -1.12 0.01 0.00 1.00 0.00 0.00 64.86 64.87 1yvj h ILE 933 Cb 0.65 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 1yvj h ILE 933 CO 0.05 0.41 0.45 0.00 0.00 0.00 0.00 178.15 179.05 1yvj h LYS 935 N 0.91 -0.38 0.00 0.00 1.57 -0.97 0.23 116.57 117.93 1yvj h LYS 935 Ca 0.26 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1yvj h LYS 935 Cb -0.08 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1yvj h LYS 935 CO -0.07 -0.25 -0.02 0.78 -0.57 0.00 0.00 179.45 179.32 1yvj h GLY 936 N -0.40 0.00 1.13 3.86 0.00 -1.12 -1.80 103.07 104.74 1yvj h GLY 936 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.02 1yvj h GLY 936 CO -0.04 0.00 -1.61 1.98 0.00 0.00 0.00 176.54 176.87 1yvj h MET 937 N 0.00 0.25 -0.72 4.80 4.05 -0.48 -2.98 114.93 119.86 1yvj h MET 937 Ca -0.00 -0.43 -0.03 0.00 -0.28 0.00 0.00 59.70 58.96 1yvj h MET 937 Cb 0.24 0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 31.17 1yvj h MET 937 CO 0.00 1.11 0.33 1.49 0.23 0.00 0.00 176.91 180.07 1yvj h GLU 938 N 0.07 1.05 0.20 0.39 4.81 -0.11 -2.40 114.58 118.60 1yvj h GLU 938 Ca -0.27 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 58.78 1yvj h GLU 938 Cb 2.03 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 31.23 1yvj h GLU 938 CO 0.15 0.84 -0.10 -0.92 -0.73 0.00 0.00 179.01 178.26 1yvj h TYR 939 N 1.02 -0.25 -0.86 0.92 3.20 -1.45 -2.14 116.97 117.40 1yvj h TYR 939 Ca 0.25 -0.01 0.18 0.00 3.14 0.00 0.00 58.73 62.29 1yvj h TYR 939 Cb 0.15 0.08 -0.11 0.00 1.54 0.00 0.00 36.73 38.39 1yvj h TYR 939 CO 0.01 -0.12 0.39 -0.07 -1.64 0.00 0.00 178.16 176.74 1yvj h LEU 940 N -0.32 0.38 -0.53 2.82 3.38 -1.38 0.31 115.31 119.96 1yvj h LEU 940 Ca -0.03 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1yvj h LEU 940 Cb 0.25 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1yvj h LEU 940 CO 0.05 0.09 0.32 1.23 0.09 0.00 0.00 178.44 180.21 1yvj h GLY 941 N 0.48 0.77 2.00 0.83 0.00 -1.24 -0.09 103.07 105.82 1yvj h GLY 941 Ca 0.51 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 1yvj h GLY 941 CO -0.46 0.31 -0.02 1.48 0.00 0.00 0.00 176.54 177.86 1yvj h SER 942 N 0.71 0.00 -0.34 0.19 4.64 -0.28 0.03 113.55 118.51 1yvj h SER 942 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1yvj h SER 942 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1yvj h SER 942 CO -0.04 0.02 0.00 0.54 -0.87 0.00 0.00 176.83 176.48 1yvj n ARG 943 N -3.65 2.03 -3.00 4.77 5.12 -0.10 -4.89 116.66 116.93 1yvj n ARG 943 Ca -0.03 -1.32 -0.22 0.00 -1.93 0.00 0.00 57.85 54.35 1yvj n ARG 943 Cb 0.10 -1.39 0.03 0.00 -1.16 0.00 0.00 32.46 30.04 1yvj n ARG 943 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1yvj n ARG 944 N 0.49 -4.41 -4.87 5.56 1.74 -0.00 -4.92 116.66 110.25 1yvj n ARG 944 Ca 0.12 0.86 -0.31 0.00 -0.77 0.00 0.00 57.85 57.75 1yvj n ARG 944 Cb 0.38 -5.69 -0.14 0.00 -1.02 0.00 0.00 32.46 25.99 1yvj n ARG 944 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yvj s VAL 946 N -0.82 2.87 0.09 0.00 1.01 -0.37 -4.09 120.40 119.09 1yvj s VAL 946 Ca 0.13 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.26 1yvj s VAL 946 Cb -0.10 -2.19 -0.21 0.00 0.00 0.00 0.00 36.38 33.87 1yvj s VAL 946 CO 0.03 0.53 1.23 -0.74 0.00 0.00 0.00 175.10 176.14 1yvj h HIS 947 N 6.77 0.97 0.00 5.22 2.76 -1.90 0.62 115.15 129.59 1yvj h HIS 947 Ca -0.25 -0.51 0.00 0.00 -2.20 0.00 0.00 60.37 57.40 1yvj h HIS 947 Cb 1.21 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 30.06 1yvj h HIS 947 CO 0.50 1.35 0.00 0.54 -1.30 0.00 0.00 177.93 179.01 1yvj n ARG 948 N -3.85 0.00 -2.34 5.26 1.74 -1.26 -3.23 116.66 112.98 1yvj n ARG 948 Ca -0.10 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.76 1yvj n ARG 948 Cb 0.86 -0.33 0.01 0.00 -1.02 0.00 0.00 32.46 31.98 1yvj n ARG 948 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1yvj n ASP 949 N 1.10 4.32 -4.69 0.55 2.03 -1.26 -4.79 116.55 113.80 1yvj n ASP 949 Ca 0.00 -3.53 -0.42 0.00 0.52 0.00 0.00 54.79 51.36 1yvj n ASP 949 Cb 0.00 -0.42 -0.03 0.00 -0.72 0.00 0.00 41.12 39.95 1yvj n ASP 949 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1yvj s LEU 950 N -3.55 4.38 -0.07 -2.67 2.96 -1.26 -4.87 118.68 113.60 1yvj s LEU 950 Ca 0.46 2.63 -0.29 0.00 -0.22 0.00 0.00 54.13 56.71 1yvj s LEU 950 Cb 0.40 -3.57 0.10 0.00 0.50 0.00 0.00 46.19 43.63 1yvj s LEU 950 CO -0.07 -0.94 0.86 0.00 -1.32 0.00 0.00 176.35 174.88 1yvj s ALA 951 N 2.59 -1.84 0.44 5.97 0.00 -1.26 -4.80 121.76 122.85 1yvj s ALA 951 Ca 0.77 1.30 0.15 0.00 0.00 0.00 0.00 51.96 54.19 1yvj s ALA 951 Cb -0.43 -0.14 1.06 0.00 0.00 0.00 0.00 23.12 23.61 1yvj s ALA 951 CO 0.34 -0.45 1.95 0.00 0.00 0.00 0.00 175.76 177.60 1yvj h ALA 952 N 2.49 2.10 0.00 0.00 0.00 -1.93 0.23 119.26 122.16 1yvj h ALA 952 Ca -0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1yvj h ALA 952 Cb 1.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1yvj h ALA 952 CO 0.33 -0.26 0.00 2.89 0.00 0.00 0.00 179.25 182.21 1yvj n ARG 953 N -4.47 0.17 -0.27 0.00 1.85 -1.26 -2.23 116.66 110.46 1yvj n ARG 953 Ca 0.12 0.53 0.09 0.00 -1.00 0.00 0.00 57.85 57.59 1yvj n ARG 953 Cb 0.46 -1.92 0.24 0.00 -1.05 0.00 0.00 32.46 30.19 1yvj n ARG 953 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1yvj n ASN 954 N -2.26 3.44 -4.49 2.89 3.02 0.81 -4.84 115.26 113.82 1yvj n ASN 954 Ca 0.00 -1.98 -0.34 0.00 -0.03 0.00 0.00 54.58 52.23 1yvj n ASN 954 Cb 0.13 -0.35 -0.12 0.00 -0.61 0.00 0.00 39.78 38.83 1yvj n ASN 954 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1yvj s ILE 955 N -1.04 3.92 0.23 2.41 -1.09 -0.95 0.21 121.20 124.89 1yvj s ILE 955 Ca 0.37 -0.35 0.07 0.00 -2.23 0.00 0.00 60.65 58.51 1yvj s ILE 955 Cb 0.19 -2.72 -0.04 0.00 -1.58 0.00 0.00 42.46 38.31 1yvj s ILE 955 CO 0.25 0.48 0.14 -0.76 -1.23 0.00 0.00 174.94 173.83 1yvj s LEU 956 N 0.45 3.67 -0.26 2.97 1.43 0.91 0.16 118.68 128.01 1yvj s LEU 956 Ca -0.03 -0.30 -0.07 0.00 -1.03 0.00 0.00 54.13 52.70 1yvj s LEU 956 Cb -0.14 -2.23 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 1yvj s LEU 956 CO 0.03 0.00 0.06 -0.69 0.23 0.00 0.00 176.35 175.98 1yvj s VAL 957 N -2.05 4.10 -0.08 -1.59 1.01 0.05 -0.28 120.40 121.57 1yvj s VAL 957 Ca 0.32 -0.37 -0.22 0.00 0.00 0.00 0.00 61.98 61.71 1yvj s VAL 957 Cb -0.08 -2.97 -0.29 0.00 0.00 0.00 0.00 36.38 33.03 1yvj s VAL 957 CO 0.23 0.27 0.79 -0.08 0.00 0.00 0.00 175.10 176.31 1yvj h GLU 958 N 8.23 0.23 -3.23 2.72 4.57 -0.36 -3.36 114.58 123.37 1yvj h GLU 958 Ca -0.37 -0.40 0.01 0.00 -1.18 0.00 0.00 59.36 57.43 1yvj h GLU 958 Cb 1.16 0.15 -0.06 0.00 -0.16 0.00 0.00 28.75 29.84 1yvj h GLU 958 CO 0.59 1.19 0.11 -1.54 -1.18 0.00 0.00 179.01 178.18 1yvj s SER 959 N -6.86 -0.16 0.47 1.04 1.04 -0.71 -4.88 113.70 103.64 1yvj s SER 959 Ca -0.16 -0.77 0.29 0.00 0.48 0.00 0.00 55.95 55.78 1yvj s SER 959 Cb 0.01 0.69 1.35 0.00 0.10 0.00 0.00 66.02 68.18 1yvj s SER 959 CO 0.79 -1.31 1.77 -0.33 0.98 0.00 0.00 173.24 175.14 1yvj h GLU 960 N 2.08 0.17 -0.30 4.02 4.39 -2.03 -0.56 114.58 122.35 1yvj h GLU 960 Ca -0.22 -0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.28 1yvj h GLU 960 Cb 1.25 -0.04 -0.13 0.00 -0.10 0.00 0.00 28.75 29.73 1yvj h GLU 960 CO 0.29 0.11 -0.38 0.00 -1.16 0.00 0.00 179.01 177.87 1yvj n ALA 961 N -2.63 4.25 -3.38 3.43 0.00 -1.26 -4.97 120.51 115.95 1yvj n ALA 961 Ca 0.27 -3.36 0.02 0.00 0.00 0.00 0.00 53.44 50.36 1yvj n ALA 961 Cb 1.12 -0.52 -0.02 0.00 0.00 0.00 0.00 19.45 20.02 1yvj n ALA 961 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1yvj s HIS 962 N -3.34 -1.46 0.30 0.00 5.65 -0.22 -5.01 115.29 111.21 1yvj s HIS 962 Ca 0.44 1.97 0.11 0.00 0.25 0.00 0.00 55.06 57.83 1yvj s HIS 962 Cb 0.40 0.67 -0.05 0.00 -1.18 0.00 0.00 32.58 32.41 1yvj s HIS 962 CO -0.03 -0.76 -0.16 0.14 -0.65 0.00 0.00 174.74 173.28 1yvj s VAL 963 N 2.87 2.47 0.07 0.89 -7.23 -1.26 0.43 120.40 118.64 1yvj s VAL 963 Ca 0.08 -2.32 0.01 0.00 -1.81 0.00 0.00 61.98 57.94 1yvj s VAL 963 Cb -0.13 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 1yvj s VAL 963 CO -0.20 -0.34 -0.05 -0.54 -0.31 0.00 0.00 175.10 173.66 1yvj s LYS 964 N -3.55 0.67 -0.12 4.82 1.02 0.61 -4.58 119.74 118.61 1yvj s LYS 964 Ca 0.31 -1.16 -0.21 0.00 0.02 0.00 0.00 55.97 54.93 1yvj s LYS 964 Cb -0.03 -0.04 -0.04 0.00 -0.52 0.00 0.00 37.83 37.20 1yvj s LYS 964 CO 0.16 -0.04 0.60 0.42 -0.92 0.00 0.00 175.35 175.56 1yvj s ILE 965 N -3.26 5.09 0.34 2.17 1.01 -0.31 -0.06 121.20 126.18 1yvj s ILE 965 Ca 0.05 1.20 0.01 0.00 0.00 0.00 0.00 60.65 61.90 1yvj s ILE 965 Cb 0.03 -3.93 0.01 0.00 0.01 0.00 0.00 42.46 38.58 1yvj s ILE 965 CO -0.06 0.24 0.07 0.00 0.00 0.00 0.00 174.94 175.20 1yvj n ALA 966 N 4.06 0.36 -2.89 9.38 0.00 0.13 -1.56 120.51 129.99 1yvj n ALA 966 Ca -0.03 -1.49 -0.02 0.00 0.00 0.00 0.00 53.44 51.89 1yvj n ALA 966 Cb 0.51 0.77 -0.02 0.00 0.00 0.00 0.00 19.45 20.71 1yvj n ALA 966 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1yvj n ASP 967 N -1.38 -4.92 -1.11 0.00 4.64 -1.26 -4.86 116.55 107.65 1yvj n ASP 967 Ca -0.11 1.08 -0.03 0.00 -1.38 0.00 0.00 54.79 54.35 1yvj n ASP 967 Cb 0.42 -3.22 0.20 0.00 -1.04 0.00 0.00 41.12 37.49 1yvj n ASP 967 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 1yvj n PHE 968 N 1.96 0.99 0.26 -0.67 3.72 -1.26 -4.61 117.46 117.85 1yvj n PHE 968 Ca -0.16 -1.59 0.15 0.00 -0.05 0.00 0.00 57.45 55.81 1yvj n PHE 968 Cb 0.30 -0.47 0.58 0.00 -0.94 0.00 0.00 39.48 38.94 1yvj n PHE 968 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1yvj h GLY 969 N 1.01 0.00 -0.42 1.37 0.00 -1.92 -3.15 103.07 99.97 1yvj h GLY 969 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1yvj h GLY 969 CO 0.35 0.00 -0.45 1.04 0.00 0.00 0.00 176.54 177.49 1yvj n LEU 970 N -3.14 1.20 -4.62 3.11 4.77 -1.26 -5.02 117.00 112.05 1yvj n LEU 970 Ca 0.01 -0.66 -0.36 0.00 -0.03 0.00 0.00 56.01 54.97 1yvj n LEU 970 Cb 0.36 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.53 1yvj n LEU 970 CO 0.29 0.25 0.54 0.00 -1.33 0.00 0.00 177.39 177.14 1yvj n ALA 971 N -0.61 -0.12 -2.84 -1.18 0.00 -1.19 -4.72 120.51 109.85 1yvj n ALA 971 Ca 0.05 -0.15 -0.16 0.00 0.00 0.00 0.00 53.44 53.18 1yvj n ALA 971 Cb 0.28 -2.12 -0.15 0.00 0.00 0.00 0.00 19.45 17.46 1yvj n ALA 971 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1yvj s LYS 972 N -3.22 0.45 -0.17 0.00 -0.14 0.21 -4.97 119.74 111.89 1yvj s LYS 972 Ca 0.74 -0.17 -0.21 0.00 -1.36 0.00 0.00 55.97 54.97 1yvj s LYS 972 Cb -0.36 -0.44 -0.03 0.00 -1.68 0.00 0.00 37.83 35.32 1yvj s LYS 972 CO 0.49 0.09 0.61 -0.51 -0.76 0.00 0.00 175.35 175.27 1yvj s LEU 973 N -0.03 4.19 0.09 3.17 1.02 -1.26 -1.24 118.68 124.63 1yvj s LEU 973 Ca 0.01 0.87 -0.31 0.00 0.02 0.00 0.00 54.13 54.72 1yvj s LEU 973 Cb -0.03 -2.87 -0.08 0.00 0.02 0.00 0.00 46.19 43.23 1yvj s LEU 973 CO -0.00 -0.20 1.46 -0.76 0.02 0.00 0.00 176.35 176.87 1yvj s LEU 974 N 1.54 4.36 0.52 1.79 1.43 -0.26 -4.97 118.68 123.09 1yvj s LEU 974 Ca 0.29 2.35 -0.22 0.00 -1.03 0.00 0.00 54.13 55.52 1yvj s LEU 974 Cb -0.16 -3.58 -0.06 0.00 0.03 0.00 0.00 46.19 42.43 1yvj s LEU 974 CO 0.11 -0.73 1.36 -2.16 0.23 0.00 0.00 176.35 175.16 1yvj s PRO 975 N 1.63 3.27 0.49 1.29 0.04 -1.26 -4.84 135.00 135.62 1yvj s PRO 975 Ca 0.67 2.25 0.28 0.00 0.04 0.00 0.00 61.00 64.24 1yvj s PRO 975 Cb -0.37 -2.34 1.37 0.00 0.04 0.00 0.00 34.50 33.20 1yvj s PRO 975 CO 0.30 -1.09 1.84 -0.07 0.04 0.00 0.00 177.00 178.02 1yvj h LEU 976 N 1.65 0.15 -0.93 -3.56 3.38 -1.99 -1.31 115.31 112.70 1yvj h LEU 976 Ca -0.51 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1yvj h LEU 976 Cb 1.29 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1yvj h LEU 976 CO 0.58 0.04 -0.00 -0.90 0.09 0.00 0.00 178.44 178.25 1yvj n ASP 977 N -4.35 1.45 -4.14 -0.43 5.75 -1.26 -4.94 116.55 108.63 1yvj n ASP 977 Ca 0.22 -1.48 -0.12 0.00 -0.01 0.00 0.00 54.79 53.40 1yvj n ASP 977 Cb 0.98 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.97 1yvj n ASP 977 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1yvj s LYS 978 N -2.01 0.74 -0.21 0.11 1.02 -0.49 -5.27 119.74 113.62 1yvj s LYS 978 Ca 0.38 -1.14 0.15 0.00 0.02 0.00 0.00 55.97 55.38 1yvj s LYS 978 Cb 0.21 -0.25 0.71 0.00 -0.52 0.00 0.00 37.83 37.98 1yvj s LYS 978 CO 0.34 0.01 1.63 -0.25 -0.92 0.00 0.00 175.35 176.15 1yvj n ASP 979 N 0.46 5.01 -3.58 2.83 8.00 -1.26 -4.45 116.55 123.56 1yvj n ASP 979 Ca -0.16 -2.93 -0.16 0.00 0.71 0.00 0.00 54.79 52.25 1yvj n ASP 979 Cb 0.59 -0.63 -0.13 0.00 -0.02 0.00 0.00 41.12 40.93 1yvj n ASP 979 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1yvj s VAL 982 N -2.73 -0.36 -0.16 2.53 1.01 -1.25 -4.44 120.40 115.00 1yvj s VAL 982 Ca 0.50 0.11 -0.00 0.00 0.00 0.00 0.00 61.98 62.58 1yvj s VAL 982 Cb 0.38 -0.53 0.04 0.00 0.00 0.00 0.00 36.38 36.27 1yvj s VAL 982 CO 0.14 -0.03 -0.07 -0.69 0.00 0.00 0.00 175.10 174.45 1yvj s VAL 983 N 2.36 1.19 0.35 2.92 1.01 -0.56 -5.03 120.40 122.65 1yvj s VAL 983 Ca 0.04 -0.63 0.12 0.00 0.00 0.00 0.00 61.98 61.52 1yvj s VAL 983 Cb -0.14 -1.32 0.07 0.00 0.00 0.00 0.00 36.38 35.00 1yvj s VAL 983 CO -0.10 0.19 1.79 0.03 0.00 0.00 0.00 175.10 177.01 1yvj h ARG 984 N 8.10 0.01 -6.48 2.72 3.08 -1.97 -3.43 114.38 116.41 1yvj h ARG 984 Ca -0.26 -0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.25 1yvj h ARG 984 Cb 1.11 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.18 1yvj h ARG 984 CO 0.42 0.42 0.74 -1.21 -1.07 0.00 0.00 179.97 179.27 1yvj s GLU 985 N -4.10 4.32 0.88 0.04 8.01 -1.26 -5.02 118.70 121.58 1yvj s GLU 985 Ca -0.03 2.00 -0.12 0.00 0.01 0.00 0.00 54.97 56.83 1yvj s GLU 985 Cb 0.14 -3.37 0.20 0.00 -4.31 0.00 0.00 34.13 26.79 1yvj s GLU 985 CO 0.73 -0.46 1.20 -0.35 0.01 0.00 0.00 175.26 176.39 1yvj n PRO 986 N 4.42 -0.99 -1.27 0.39 -0.04 -1.26 -5.09 135.00 131.16 1yvj n PRO 986 Ca 0.12 -2.09 -0.12 0.00 -0.04 0.00 0.00 63.50 61.37 1yvj n PRO 986 Cb 0.43 -1.16 0.07 0.00 -0.04 0.00 0.00 33.50 32.80 1yvj n PRO 986 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yvj n GLY 987 N -3.06 -0.07 0.35 0.55 0.00 -1.26 -5.02 105.19 96.69 1yvj n GLY 987 Ca 0.16 -1.87 0.12 0.00 0.00 0.00 0.00 46.02 44.42 1yvj n GLY 987 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1yvj n GLN 988 N -2.03 0.93 -3.47 1.61 6.02 -1.26 -4.96 117.38 114.22 1yvj n GLN 988 Ca 0.08 -0.71 -0.24 0.00 -0.01 0.00 0.00 57.00 56.12 1yvj n GLN 988 Cb 0.27 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 30.03 1yvj n GLN 988 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1yvj s SER 989 N -2.56 6.31 0.66 1.08 1.04 -1.26 -5.05 113.70 113.92 1yvj s SER 989 Ca 0.19 0.41 -0.17 0.00 0.48 0.00 0.00 55.95 56.85 1yvj s SER 989 Cb 0.18 -2.01 -0.09 0.00 0.10 0.00 0.00 66.02 64.20 1yvj s SER 989 CO 0.60 -0.25 0.25 -2.65 0.98 0.00 0.00 173.24 172.17 1yvj n PRO 990 N -1.64 0.25 0.23 4.02 -0.02 -1.26 -4.77 135.00 131.81 1yvj n PRO 990 Ca -0.05 0.11 0.10 0.00 -2.02 0.00 0.00 63.50 61.64 1yvj n PRO 990 Cb 0.56 -1.52 0.55 0.00 -0.02 0.00 0.00 33.50 33.06 1yvj n PRO 990 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 1yvj h ILE 991 N -0.19 0.00 0.00 4.25 3.07 -1.97 -2.32 117.51 120.34 1yvj h ILE 991 Ca -0.44 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.97 1yvj h ILE 991 Cb 1.38 0.44 0.00 0.00 -0.27 0.00 0.00 36.82 38.38 1yvj h ILE 991 CO 0.42 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 178.01 1yvj n PHE 992 N -2.38 0.00 0.14 0.16 3.01 -1.26 -3.15 117.46 113.98 1yvj n PHE 992 Ca -0.01 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.56 1yvj n PHE 992 Cb 0.32 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.65 1yvj n PHE 992 CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 1yvj n TRP 993 N -0.79 0.11 -3.96 1.38 8.01 -0.87 -4.93 117.44 116.38 1yvj n TRP 993 Ca 0.13 0.03 -0.23 0.00 -1.31 0.00 0.00 57.50 56.11 1yvj n TRP 993 Cb 0.06 -0.49 -0.02 0.00 -2.01 0.00 0.00 31.31 28.85 1yvj n TRP 993 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 1yvj s TYR 994 N -3.43 3.47 0.53 -5.99 1.51 -1.19 -4.02 117.35 108.24 1yvj s TYR 994 Ca -0.05 0.04 -0.20 0.00 -1.01 0.00 0.00 57.07 55.86 1yvj s TYR 994 Cb 0.14 -1.61 -0.06 0.00 -0.11 0.00 0.00 41.96 40.31 1yvj s TYR 994 CO 0.89 0.48 1.14 0.00 -1.11 0.00 0.00 175.55 176.94 1yvj s ALA 995 N -1.87 2.73 0.17 3.71 0.00 -1.26 -4.87 121.76 120.36 1yvj s ALA 995 Ca 0.34 0.85 -0.15 0.00 0.00 0.00 0.00 51.96 53.00 1yvj s ALA 995 Cb -0.10 -3.37 0.11 0.00 0.00 0.00 0.00 23.12 19.76 1yvj s ALA 995 CO 0.29 -0.78 1.73 -1.00 0.00 0.00 0.00 175.76 176.00 1yvj h PRO 996 N 1.30 0.21 -0.08 0.00 0.13 -1.96 -0.90 132.00 130.69 1yvj h PRO 996 Ca -0.50 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1yvj h PRO 996 Cb 1.26 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1yvj h PRO 996 CO 0.57 0.14 0.07 1.05 -0.23 0.00 0.00 178.00 179.60 1yvj h GLU 997 N 0.21 0.00 -0.20 0.86 9.09 -1.90 0.44 114.58 123.08 1yvj h GLU 997 Ca 0.19 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.41 1yvj h GLU 997 Cb 0.23 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.33 1yvj h GLU 997 CO -0.25 0.00 -0.63 0.77 0.05 0.00 0.00 179.01 178.95 1yvj h SER 998 N 0.00 0.89 -0.06 3.06 0.02 -1.11 -0.97 113.55 115.39 1yvj h SER 998 Ca 0.04 -0.59 -0.22 0.00 -0.84 0.00 0.00 61.79 60.18 1yvj h SER 998 Cb 0.19 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 62.48 1yvj h SER 998 CO -0.00 1.33 -0.80 -0.07 -1.14 0.00 0.00 176.83 176.14 1yvj h LEU 999 N 0.51 0.86 0.08 5.07 3.38 -0.48 -1.79 115.31 122.94 1yvj h LEU 999 Ca -0.02 -0.58 -0.33 0.00 0.09 0.00 0.00 57.88 57.03 1yvj h LEU 999 Cb 1.25 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1yvj h LEU 999 CO 0.13 1.37 -1.86 0.77 0.09 0.00 0.00 178.44 178.94 1yvj h SER 1000N 0.48 0.25 0.00 -0.43 4.64 -1.04 -3.42 113.55 114.04 1yvj h SER 1000Ca -0.06 -0.57 0.00 0.00 -0.47 0.00 0.00 61.79 60.70 1yvj h SER 1000Cb 1.43 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1yvj h SER 1000CO 0.16 1.51 0.00 0.47 -0.87 0.00 0.00 176.83 178.10 1yvj n ASP 1001N -3.31 1.45 -3.40 4.97 8.00 -0.41 -5.01 116.55 118.84 1yvj n ASP 1001Ca -0.25 -1.68 -0.25 0.00 0.71 0.00 0.00 54.79 53.32 1yvj n ASP 1001Cb 1.05 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 42.18 1yvj n ASP 1001CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1yvj n ASN 1002N -0.34 -5.20 -4.51 -2.24 3.02 -0.67 -4.87 115.26 100.45 1yvj n ASN 1002Ca 0.00 -0.46 -0.38 0.00 -0.03 0.00 0.00 54.58 53.70 1yvj n ASN 1002Cb 0.28 -4.19 -0.11 0.00 -0.61 0.00 0.00 39.78 35.14 1yvj n ASN 1002CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1yvj s ILE 1003N -3.16 4.92 0.06 2.41 1.01 -0.91 -1.50 121.20 124.03 1yvj s ILE 1003Ca 0.45 -0.16 0.09 0.00 0.00 0.00 0.00 60.65 61.03 1yvj s ILE 1003Cb -0.22 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 1yvj s ILE 1003CO 0.56 0.15 -0.23 -0.36 0.00 0.00 0.00 174.94 175.06 1yvj s PHE 1004N 1.68 2.41 0.17 3.97 0.40 -1.26 -3.02 117.98 122.34 1yvj s PHE 1004Ca 0.06 -0.35 -0.09 0.00 -0.60 0.00 0.00 56.93 55.95 1yvj s PHE 1004Cb -0.16 -1.40 0.03 0.00 0.51 0.00 0.00 43.02 42.00 1yvj s PHE 1004CO 0.08 0.21 0.45 -1.13 0.70 0.00 0.00 175.22 175.53 1yvj n SER 1005N 1.56 -1.10 0.08 1.36 3.41 -1.26 -4.75 113.62 112.92 1yvj n SER 1005Ca -0.17 -1.71 0.04 0.00 -0.26 0.00 0.00 58.87 56.77 1yvj n SER 1005Cb 0.52 1.82 0.44 0.00 -0.26 0.00 0.00 64.21 66.73 1yvj n SER 1005CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1yvj h ARG 1006N 0.00 0.36 0.00 4.33 3.08 -1.89 -1.37 114.38 118.90 1yvj h ARG 1006Ca -0.16 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.79 1yvj h ARG 1006Cb 0.64 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1yvj h ARG 1006CO 0.21 0.32 -0.27 1.96 -1.07 0.00 0.00 179.97 181.12 1yvj h GLN 1007N 0.36 0.00 0.02 0.04 7.50 -1.90 -2.14 115.11 118.98 1yvj h GLN 1007Ca 0.09 0.00 -0.22 0.00 0.50 0.00 0.00 58.65 59.02 1yvj h GLN 1007Cb 0.11 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.61 1yvj h GLN 1007CO -0.01 0.27 -1.06 0.66 -1.50 0.00 0.00 178.83 177.20 1yvj h SER 1008N 0.00 0.06 -0.68 1.46 4.64 -1.65 -2.93 113.55 114.44 1yvj h SER 1008Ca -0.00 -0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.20 1yvj h SER 1008Cb 0.70 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.74 1yvj h SER 1008CO 0.04 1.05 0.21 0.44 -0.87 0.00 0.00 176.83 177.69 1yvj h ASP 1009N 0.01 1.02 -0.32 4.97 3.45 -0.97 -2.55 116.42 122.02 1yvj h ASP 1009Ca -0.04 -0.19 0.03 0.00 0.43 0.00 0.00 57.03 57.27 1yvj h ASP 1009Cb 1.80 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 40.28 1yvj h ASP 1009CO 0.14 0.95 0.12 0.58 -1.57 0.00 0.00 179.24 179.46 1yvj h VAL 1010N 1.04 0.92 0.17 -1.35 2.07 -1.36 0.14 116.25 117.88 1yvj h VAL 1010Ca 0.23 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.67 1yvj h VAL 1010Cb 0.31 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1yvj h VAL 1010CO -0.01 0.05 -0.33 -0.25 0.02 0.00 0.00 177.57 177.05 1yvj h TRP 1011N 0.26 -0.90 -0.05 1.57 2.91 -1.32 -1.06 115.95 117.35 1yvj h TRP 1011Ca 0.14 0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.19 1yvj h TRP 1011Cb 0.10 0.37 -0.00 0.00 -0.51 0.00 0.00 29.16 29.13 1yvj h TRP 1011CO -0.13 -0.44 0.04 0.77 -1.03 0.00 0.00 178.44 177.65 1yvj h SER 1012N -0.59 0.00 -0.66 2.65 0.02 -1.26 0.96 113.55 114.67 1yvj h SER 1012Ca 0.02 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 1yvj h SER 1012Cb 0.60 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 1yvj h SER 1012CO -0.16 0.00 0.25 0.15 -1.14 0.00 0.00 176.83 175.93 1yvj h PHE 1013N 0.00 1.04 -0.72 3.45 3.57 0.51 -1.22 116.94 123.56 1yvj h PHE 1013Ca 0.03 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 1yvj h PHE 1013Cb 0.11 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.51 1yvj h PHE 1013CO 0.00 0.80 0.40 0.78 -2.23 0.00 0.00 178.31 178.07 1yvj h GLY 1014N 1.07 1.06 1.66 2.40 0.00 0.10 -0.11 103.07 109.25 1yvj h GLY 1014Ca 0.23 -0.46 -0.11 0.00 0.00 0.00 0.00 47.33 46.99 1yvj h GLY 1014CO -0.02 0.45 -0.35 -2.08 0.00 0.00 0.00 176.54 174.54 1yvj h VAL 1015N 1.01 1.29 -0.20 4.60 2.07 -1.08 -1.78 116.25 122.16 1yvj h VAL 1015Ca 0.26 -1.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 1yvj h VAL 1015Cb 0.01 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1yvj h VAL 1015CO -0.04 0.44 0.06 0.58 0.02 0.00 0.00 177.57 178.63 1yvj h VAL 1016N 0.33 1.19 -0.42 2.57 2.07 -0.30 -0.29 116.25 121.40 1yvj h VAL 1016Ca 0.04 -0.59 0.08 0.00 0.82 0.00 0.00 66.70 67.05 1yvj h VAL 1016Cb 0.77 1.20 -0.08 0.00 -1.52 0.00 0.00 31.29 31.67 1yvj h VAL 1016CO 0.06 0.19 -0.10 -0.07 0.02 0.00 0.00 177.57 177.66 1yvj h LEU 1017N 0.15 -0.39 -0.43 2.57 4.07 -0.78 0.21 115.31 120.70 1yvj h LEU 1017Ca 0.06 0.13 0.07 0.00 0.08 0.00 0.00 57.88 58.22 1yvj h LEU 1017Cb 0.23 0.26 -0.06 0.00 1.08 0.00 0.00 40.66 42.17 1yvj h LEU 1017CO -0.00 -0.14 0.09 0.22 -1.08 0.00 0.00 178.44 177.53 1yvj h TYR 1018N 0.00 0.16 -0.50 1.13 3.20 -1.10 -1.81 116.97 118.04 1yvj h TYR 1018Ca 0.20 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.13 1yvj h TYR 1018Cb 0.31 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 1yvj h TYR 1018CO -0.37 0.02 0.28 0.93 -1.64 0.00 0.00 178.16 177.38 1yvj h GLU 1019N 0.23 0.54 0.35 1.82 5.08 0.50 -1.98 114.58 121.12 1yvj h GLU 1019Ca 0.21 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1yvj h GLU 1019Cb 0.25 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1yvj h GLU 1019CO -0.27 0.35 -0.35 -0.07 -1.00 0.00 0.00 179.01 177.68 1yvj h LEU 1020N 0.55 -0.95 0.00 1.33 3.38 -0.13 0.27 115.31 119.76 1yvj h LEU 1020Ca 0.21 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1yvj h LEU 1020Cb 0.07 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1yvj h LEU 1020CO -0.12 -0.49 0.00 0.49 0.09 0.00 0.00 178.44 178.41 1yvj n PHE 1021N -5.46 0.00 0.30 1.13 3.01 -0.73 -0.41 117.46 115.30 1yvj n PHE 1021Ca -0.10 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.40 1yvj n PHE 1021Cb 0.36 -0.04 0.03 0.00 -0.01 0.00 0.00 39.48 39.82 1yvj n PHE 1021CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1yvj n THR 1022N -1.04 0.00 -2.66 4.37 -2.24 -0.76 -4.73 114.28 107.23 1yvj n THR 1022Ca 0.12 -0.49 -0.18 0.00 -2.27 0.00 0.00 64.05 61.23 1yvj n THR 1022Cb 0.07 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 1yvj n THR 1022CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1yvj n TYR 1023N 0.29 -1.45 -3.48 4.78 4.02 0.75 -1.98 117.16 120.11 1yvj n TYR 1023Ca 0.04 0.16 -0.25 0.00 -0.01 0.00 0.00 57.90 57.85 1yvj n TYR 1023Cb 0.18 -3.47 0.05 0.00 -0.02 0.00 0.00 39.34 36.08 1yvj n TYR 1023CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1yvj s ASP 1025N -3.11 7.19 0.16 0.00 2.15 -0.84 -4.96 116.67 117.27 1yvj s ASP 1025Ca 0.51 2.23 -0.07 0.00 0.43 0.00 0.00 52.55 55.66 1yvj s ASP 1025Cb -0.23 -2.62 0.03 0.00 -0.30 0.00 0.00 42.92 39.79 1yvj s ASP 1025CO 0.63 -0.19 1.47 0.11 -0.17 0.00 0.00 175.17 177.02 1yvj h LYS 1026N 3.62 0.73 -0.99 4.34 6.56 -1.92 -2.02 116.57 126.89 1yvj h LYS 1026Ca -0.47 -0.44 0.02 0.00 -1.06 0.00 0.00 60.65 58.70 1yvj h LYS 1026Cb 1.21 0.04 -0.05 0.00 -0.57 0.00 0.00 32.23 32.86 1yvj h LYS 1026CO 0.66 1.07 0.65 0.66 -2.06 0.00 0.00 179.45 180.43 1yvj h SER 1027N 0.57 1.12 -0.34 0.86 4.64 -1.99 -2.99 113.55 115.42 1yvj h SER 1027Ca 0.02 -0.02 -0.21 0.00 -0.47 0.00 0.00 61.79 61.10 1yvj h SER 1027Cb 1.09 -0.27 -0.14 0.00 -0.31 0.00 0.00 62.40 62.77 1yvj h SER 1027CO 0.11 0.79 -0.34 0.00 -0.87 0.00 0.00 176.83 176.52 1yvj s SER 1029N -2.98 4.22 0.26 0.00 1.04 -0.76 -4.68 113.70 110.79 1yvj s SER 1029Ca 0.44 1.29 -0.02 0.00 0.48 0.00 0.00 55.95 58.14 1yvj s SER 1029Cb 0.40 -2.00 0.55 0.00 0.10 0.00 0.00 66.02 65.07 1yvj s SER 1029CO -0.02 -2.14 1.68 -0.65 0.98 0.00 0.00 173.24 173.09 1yvj h PRO 1030N -1.21 0.27 0.06 4.02 0.11 -1.92 -0.69 132.00 132.64 1yvj h PRO 1030Ca -0.48 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1yvj h PRO 1030Cb 1.28 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1yvj h PRO 1030CO 0.59 0.18 -0.03 0.77 -0.21 0.00 0.00 178.00 179.30 1yvj h SER 1031N 0.28 -0.06 0.09 -2.05 0.02 -1.92 -1.36 113.55 108.56 1yvj h SER 1031Ca 0.46 -0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.38 1yvj h SER 1031Cb 0.84 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.36 1yvj h SER 1031CO -0.54 0.01 -0.24 0.00 -1.14 0.00 0.00 176.83 174.92 1yvj h ALA 1032N 0.80 -0.39 -0.31 3.77 0.00 -1.57 0.46 119.26 122.02 1yvj h ALA 1032Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1yvj h ALA 1032Cb 0.12 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1yvj h ALA 1032CO 0.01 -0.77 0.17 0.93 0.00 0.00 0.00 179.25 179.60 1yvj h GLU 1033N -0.43 0.44 -0.07 0.00 4.39 -1.19 -2.33 114.58 115.40 1yvj h GLU 1033Ca 0.04 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 1yvj h GLU 1033Cb 0.46 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1yvj h GLU 1033CO -0.15 0.38 -0.03 0.74 -1.16 0.00 0.00 179.01 178.79 1yvj h PHE 1034N 0.39 0.15 -0.87 4.33 -1.00 -1.11 -2.94 116.94 115.90 1yvj h PHE 1034Ca 0.11 -0.04 0.10 0.00 2.81 0.00 0.00 57.97 60.95 1yvj h PHE 1034Cb 0.07 -0.04 -0.07 0.00 3.61 0.00 0.00 35.95 39.52 1yvj h PHE 1034CO -0.03 0.50 0.51 -0.07 -1.61 0.00 0.00 178.31 177.61 1yvj h LEU 1035N -0.23 0.74 -0.68 1.54 3.38 -0.11 0.28 115.31 120.23 1yvj h LEU 1035Ca 0.02 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1yvj h LEU 1035Cb 0.45 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1yvj h LEU 1035CO 0.01 0.42 0.00 -2.11 0.09 0.00 0.00 178.44 176.85 1yvj n ARG 1036N -4.71 1.22 0.00 1.13 1.85 -0.88 -2.14 116.66 113.13 1yvj n ARG 1036Ca 0.15 -0.23 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 1yvj n ARG 1036Cb 0.29 -1.29 0.00 0.00 -1.05 0.00 0.00 32.46 30.41 1yvj n ARG 1036CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 1yvj n MET 1037N -0.15 2.62 0.00 2.89 1.56 0.81 -4.68 117.12 120.17 1yvj n MET 1037Ca 0.02 0.00 0.09 0.00 -0.27 0.00 0.00 57.70 57.54 1yvj n MET 1037Cb 0.18 -0.96 -0.05 0.00 2.15 0.00 0.00 33.22 34.54 1yvj n MET 1037CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1yvj n MET 1038N -1.73 1.13 -1.47 2.12 0.00 -0.14 -4.93 117.12 112.10 1yvj n MET 1038Ca 0.00 -0.51 -0.44 0.00 0.00 0.00 0.00 57.70 56.75 1yvj n MET 1038Cb 0.31 -1.39 -0.10 0.00 0.00 0.00 0.00 33.22 32.04 1yvj n MET 1038CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1yvj n GLY 1039N 1.37 -0.09 0.00 3.17 0.00 -0.91 -4.45 105.19 104.28 1yvj n GLY 1039Ca 0.06 0.99 0.00 0.00 0.00 0.00 0.00 46.02 47.07 1yvj n GLY 1039CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yvj n GLU 1041N 0.00 -0.01 0.00 0.00 -0.58 -1.26 -4.92 120.64 113.87 1yvj n GLU 1041Ca 0.00 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 1yvj n GLU 1041Cb 0.00 -0.34 0.00 0.00 -0.57 0.00 0.00 31.44 30.53 1yvj n GLU 1041CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1yvj n ARG 1042N -2.43 0.00 -3.28 3.49 1.85 -1.26 -4.93 116.66 110.10 1yvj n ARG 1042Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.60 1yvj n ARG 1042Cb 0.01 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.35 1yvj n ARG 1042CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1yvj n ASP 1043N 0.00 2.63 -4.05 2.89 5.68 -1.26 -5.07 116.55 117.38 1yvj n ASP 1043Ca 0.00 -3.23 -0.26 0.00 -0.50 0.00 0.00 54.79 50.79 1yvj n ASP 1043Cb 0.00 -0.64 -0.17 0.00 -1.14 0.00 0.00 41.12 39.17 1yvj n ASP 1043CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1yvj s VAL 1044N -2.37 1.31 0.26 2.12 1.01 -1.26 -5.10 120.40 116.37 1yvj s VAL 1044Ca 0.40 -0.57 -0.28 0.00 0.00 0.00 0.00 61.98 61.53 1yvj s VAL 1044Cb 0.19 -1.19 -0.15 0.00 0.00 0.00 0.00 36.38 35.23 1yvj s VAL 1044CO -0.06 0.40 0.88 -2.65 0.00 0.00 0.00 175.10 173.67 1yvj n PRO 1045N 3.90 0.98 -0.16 2.72 -0.02 -1.26 -4.77 135.00 136.38 1yvj n PRO 1045Ca -0.21 0.34 -0.03 0.00 -2.02 0.00 0.00 63.50 61.59 1yvj n PRO 1045Cb 0.52 -1.62 0.07 0.00 -0.02 0.00 0.00 33.50 32.45 1yvj n PRO 1045CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yvj h ALA 1046N 1.75 0.62 -0.56 3.55 0.00 -1.99 -2.22 119.26 120.43 1yvj h ALA 1046Ca -0.36 0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.73 1yvj h ALA 1046Cb 1.37 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 19.11 1yvj h ALA 1046CO 0.60 -0.23 -0.18 1.25 0.00 0.00 0.00 179.25 180.69 1yvj h LEU 1047N 0.34 -0.64 -0.45 0.00 5.85 -1.99 0.29 115.31 118.71 1yvj h LEU 1047Ca 0.25 0.18 -0.02 0.00 0.84 0.00 0.00 57.88 59.13 1yvj h LEU 1047Cb 0.28 0.39 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1yvj h LEU 1047CO -0.26 -0.22 0.20 0.00 -0.34 0.00 0.00 178.44 177.82 1yvj h ARG 1049N 0.58 0.00 -0.00 0.00 9.65 -0.73 -2.45 114.38 121.43 1yvj h ARG 1049Ca 0.15 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.03 1yvj h ARG 1049Cb 0.14 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.72 1yvj h ARG 1049CO -0.02 0.33 -0.00 1.25 2.80 0.00 0.00 179.97 184.33 1yvj h LEU 1050N 0.00 0.01 -1.09 3.80 5.85 -0.17 -2.43 115.31 121.28 1yvj h LEU 1050Ca -0.00 -0.52 0.10 0.00 0.84 0.00 0.00 57.88 58.29 1yvj h LEU 1050Cb 0.68 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.64 1yvj h LEU 1050CO 0.04 0.53 0.62 -0.07 -0.34 0.00 0.00 178.44 179.21 1yvj h LEU 1051N -0.51 0.91 -0.57 2.25 3.38 -1.26 -0.03 115.31 119.48 1yvj h LEU 1051Ca 0.00 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1yvj h LEU 1051Cb 0.52 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1yvj h LEU 1051CO 0.00 0.53 0.27 -0.08 0.09 0.00 0.00 178.44 179.25 1yvj h GLU 1052N 1.00 0.82 -0.18 1.13 4.81 -1.43 0.30 114.58 121.03 1yvj h GLU 1052Ca 0.45 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 1yvj h GLU 1052Cb 0.38 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1yvj h GLU 1052CO -0.20 0.67 0.07 -0.07 -0.73 0.00 0.00 179.01 178.75 1yvj h LEU 1053N 0.77 0.25 -1.10 1.64 3.38 -0.79 -2.07 115.31 117.39 1yvj h LEU 1053Ca 0.19 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1yvj h LEU 1053Cb 0.12 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1yvj h LEU 1053CO -0.02 0.34 0.61 -0.07 0.09 0.00 0.00 178.44 179.39 1yvj h LEU 1054N 0.14 1.04 -1.39 1.67 3.38 -0.75 -0.95 115.31 118.45 1yvj h LEU 1054Ca 0.06 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1yvj h LEU 1054Cb 0.17 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1yvj h LEU 1054CO -0.01 0.75 -0.30 -0.08 0.09 0.00 0.00 178.44 178.89 1yvj h GLU 1055N 1.23 0.00 -0.08 1.13 4.81 -0.16 -2.36 114.58 119.15 1yvj h GLU 1055Ca 0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1yvj h GLU 1055Cb -0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1yvj h GLU 1055CO -0.08 0.30 0.00 0.39 -0.73 0.00 0.00 179.01 178.89 1yvj n GLU 1056N -4.13 1.24 -0.55 1.92 1.02 -0.68 -4.87 120.64 114.60 1yvj n GLU 1056Ca -0.02 -0.37 0.00 0.00 -0.02 0.00 0.00 57.16 56.75 1yvj n GLU 1056Cb 0.35 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 1yvj n GLU 1056CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yvj n GLY 1057N 0.80 0.77 3.70 0.62 0.00 -0.89 -5.03 105.19 105.16 1yvj n GLY 1057Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1yvj n GLY 1057CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yvj s GLN 1058N -0.45 4.28 0.16 1.61 -1.52 -0.45 -4.99 119.66 118.30 1yvj s GLN 1058Ca 0.00 2.08 0.00 0.00 -1.95 0.00 0.00 55.36 55.49 1yvj s GLN 1058Cb 0.00 -3.43 -0.04 0.00 -0.22 0.00 0.00 33.01 29.31 1yvj s GLN 1058CO 0.00 -0.54 0.04 1.03 -0.25 0.00 0.00 175.29 175.56 1yvj s ARG 1059N 1.86 1.04 0.60 2.91 1.81 -1.26 -4.16 118.95 121.75 1yvj s ARG 1059Ca 0.66 -1.50 -0.20 0.00 -1.72 0.00 0.00 55.73 52.97 1yvj s ARG 1059Cb -0.35 -0.01 -0.03 0.00 -0.45 0.00 0.00 34.95 34.11 1yvj s ARG 1059CO 0.29 -0.21 1.32 -0.51 -0.68 0.00 0.00 175.30 175.51 1yvj s LEU 1060N -3.12 3.71 0.00 2.53 1.43 -1.26 -5.01 118.68 116.96 1yvj s LEU 1060Ca 0.25 2.67 -0.14 0.00 -1.03 0.00 0.00 54.13 55.88 1yvj s LEU 1060Cb 0.07 -4.46 0.20 0.00 0.03 0.00 0.00 46.19 42.03 1yvj s LEU 1060CO 0.04 -1.77 0.90 -0.81 0.23 0.00 0.00 176.35 174.93 1yvj n PRO 1061N -1.47 -1.85 -2.92 1.29 -0.04 -1.26 -4.98 135.00 123.76 1yvj n PRO 1061Ca 0.13 -1.42 -0.43 0.00 -0.04 0.00 0.00 63.50 61.75 1yvj n PRO 1061Cb 0.47 -1.13 -0.05 0.00 -0.04 0.00 0.00 33.50 32.74 1yvj n PRO 1061CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1yvj s ALA 1062N -3.46 3.26 0.35 0.55 0.00 -1.26 -5.01 121.76 116.19 1yvj s ALA 1062Ca 0.55 -1.02 -0.25 0.00 0.00 0.00 0.00 51.96 51.24 1yvj s ALA 1062Cb -0.03 -3.54 -0.14 0.00 0.00 0.00 0.00 23.12 19.41 1yvj s ALA 1062CO 0.40 -2.02 0.73 -0.35 0.00 0.00 0.00 175.76 174.52 1yvj n PRO 1063N 6.89 0.79 -1.54 0.00 -0.04 -1.26 -4.78 135.00 135.07 1yvj n PRO 1063Ca 0.03 0.28 -0.49 0.00 -0.04 0.00 0.00 63.50 63.28 1yvj n PRO 1063Cb 0.48 -1.58 -0.04 0.00 -0.04 0.00 0.00 33.50 32.32 1yvj n PRO 1063CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1yvj n PRO 1064N 0.66 0.89 -1.91 0.54 -0.02 -1.26 -0.72 135.00 133.17 1yvj n PRO 1064Ca 0.12 0.31 -0.17 0.00 -2.02 0.00 0.00 63.50 61.74 1yvj n PRO 1064Cb 0.35 -1.70 -0.04 0.00 -0.02 0.00 0.00 33.50 32.08 1yvj n PRO 1064CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yvj n ALA 1065N 1.01 -0.45 -2.66 3.55 0.00 -1.26 -4.94 120.51 115.75 1yvj n ALA 1065Ca 0.15 0.22 -0.40 0.00 0.00 0.00 0.00 53.44 53.41 1yvj n ALA 1065Cb 0.24 -1.83 -0.06 0.00 0.00 0.00 0.00 19.45 17.80 1yvj n ALA 1065CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yvj n PRO 1067N 5.05 1.54 -0.34 0.00 -0.04 -1.26 -4.85 135.00 135.10 1yvj n PRO 1067Ca -0.02 0.55 -0.04 0.00 -0.04 0.00 0.00 63.50 63.95 1yvj n PRO 1067Cb 0.50 -2.20 0.01 0.00 -0.04 0.00 0.00 33.50 31.76 1yvj n PRO 1067CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1yvj h ALA 1068N 4.63 -0.04 -0.98 0.55 0.00 -1.98 -0.07 119.26 121.36 1yvj h ALA 1068Ca -0.46 0.22 0.21 0.00 0.00 0.00 0.00 54.91 54.88 1yvj h ALA 1068Cb 1.31 1.03 -0.09 0.00 0.00 0.00 0.00 17.79 20.03 1yvj h ALA 1068CO 0.79 -0.71 0.62 0.93 0.00 0.00 0.00 179.25 180.88 1yvj h GLU 1069N -0.05 0.57 -0.57 0.00 3.07 -2.00 -1.06 114.58 114.53 1yvj h GLU 1069Ca 0.28 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.08 1yvj h GLU 1069Cb 0.56 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.32 1yvj h GLU 1069CO -0.90 0.37 0.24 0.28 -1.40 0.00 0.00 179.01 177.60 1yvj h VAL 1070N 0.58 1.22 0.00 3.13 2.07 -1.35 -2.16 116.25 119.74 1yvj h VAL 1070Ca 0.55 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 1yvj h VAL 1070Cb 1.11 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1yvj h VAL 1070CO -0.31 0.26 -0.37 -0.74 0.02 0.00 0.00 177.57 176.44 1yvj h HIS 1071N 0.79 0.00 -0.30 1.57 -0.00 -1.09 -1.69 115.15 114.43 1yvj h HIS 1071Ca 0.19 0.00 -0.12 0.00 -0.00 0.00 0.00 60.37 60.44 1yvj h HIS 1071Cb 0.19 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.59 1yvj h HIS 1071CO 0.01 0.37 -0.30 0.93 -0.00 0.00 0.00 177.93 178.93 1yvj h GLU 1072N 0.00 0.73 -0.64 5.26 4.39 -1.03 -0.68 114.58 122.61 1yvj h GLU 1072Ca -0.00 -0.39 -0.03 0.00 0.34 0.00 0.00 59.36 59.28 1yvj h GLU 1072Cb 0.73 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.36 1yvj h GLU 1072CO 0.05 1.01 0.29 -0.07 -1.16 0.00 0.00 179.01 179.12 1yvj h LEU 1073N 0.48 0.83 0.33 1.33 3.38 -1.20 -0.92 115.31 119.55 1yvj h LEU 1073Ca 0.05 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1yvj h LEU 1073Cb 0.87 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1yvj h LEU 1073CO 0.07 0.72 -0.32 0.24 0.09 0.00 0.00 178.44 179.25 1yvj h MET 1074N 0.91 -0.65 -0.36 1.13 2.86 -1.08 -1.59 114.93 116.15 1yvj h MET 1074Ca 0.22 0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.95 1yvj h MET 1074Cb 0.13 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1yvj h MET 1074CO -0.03 -0.43 0.24 0.87 1.06 0.00 0.00 176.91 178.63 1yvj h LYS 1075N -0.67 0.27 -0.68 1.72 1.57 -0.77 -0.78 116.57 117.23 1yvj h LYS 1075Ca -0.02 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1yvj h LYS 1075Cb 0.61 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 1yvj h LYS 1075CO -0.05 0.18 0.20 -0.07 -0.57 0.00 0.00 179.45 179.13 1yvj h LEU 1076N 0.28 1.00 -2.27 2.94 3.38 -0.52 -2.34 115.31 117.78 1yvj h LEU 1076Ca 0.15 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1yvj h LEU 1076Cb 0.26 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1yvj h LEU 1076CO -0.03 0.96 -0.04 0.00 0.09 0.00 0.00 178.44 179.41 1yvj n TRP 1078N -3.42 2.39 -1.74 0.00 8.01 -0.88 -3.92 117.44 117.87 1yvj n TRP 1078Ca -0.02 -1.30 -0.42 0.00 -1.31 0.00 0.00 57.50 54.44 1yvj n TRP 1078Cb 0.17 -0.72 -0.03 0.00 -2.01 0.00 0.00 31.31 28.72 1yvj n TRP 1078CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1yvj s ALA 1079N -2.77 3.83 0.32 6.99 0.00 -1.01 -4.85 121.76 124.27 1yvj s ALA 1079Ca 0.49 1.49 0.10 0.00 0.00 0.00 0.00 51.96 54.04 1yvj s ALA 1079Cb 0.40 -3.73 0.90 0.00 0.00 0.00 0.00 23.12 20.70 1yvj s ALA 1079CO 0.11 -1.07 1.72 -1.00 0.00 0.00 0.00 175.76 175.52 1yvj h PRO 1080N 7.76 0.52 -5.63 0.00 0.13 -1.93 -3.38 132.00 129.47 1yvj h PRO 1080Ca -0.44 -0.03 -0.59 0.00 -0.87 0.00 0.00 66.00 64.06 1yvj h PRO 1080Cb 1.21 -0.12 -0.10 0.00 0.13 0.00 0.00 31.00 32.13 1yvj h PRO 1080CO 0.95 0.34 0.00 0.45 -0.23 0.00 0.00 178.00 179.52 1yvj s SER 1081N -5.16 6.64 0.57 1.44 0.15 -1.26 -4.90 113.70 111.19 1yvj s SER 1081Ca -0.11 0.77 0.28 0.00 0.70 0.00 0.00 55.95 57.60 1yvj s SER 1081Cb 0.27 -2.32 1.49 0.00 -1.71 0.00 0.00 66.02 63.76 1yvj s SER 1081CO 0.79 -0.18 1.95 1.55 1.20 0.00 0.00 173.24 178.55 1yvj h PRO 1082N 7.33 0.00 0.00 5.44 0.13 -1.94 0.85 132.00 143.81 1yvj h PRO 1082Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1yvj h PRO 1082Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1yvj h PRO 1082CO 0.75 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.52 1yvj n GLN 1083N -3.92 0.07 0.02 0.86 10.64 -1.26 -3.23 117.38 120.55 1yvj n GLN 1083Ca 0.09 0.07 0.12 0.00 -1.83 0.00 0.00 57.00 55.45 1yvj n GLN 1083Cb 0.63 -1.58 0.15 0.00 -0.86 0.00 0.00 30.24 28.59 1yvj n GLN 1083CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1yvj n ASP 1084N -1.69 0.61 -4.80 2.61 10.43 0.29 -4.90 116.55 119.09 1yvj n ASP 1084Ca 0.06 -0.22 -0.34 0.00 2.57 0.00 0.00 54.79 56.86 1yvj n ASP 1084Cb 0.35 0.42 -0.03 0.00 1.84 0.00 0.00 41.12 43.70 1yvj n ASP 1084CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1yvj s ARG 1085N -3.08 3.81 0.56 -1.24 0.52 -1.20 -4.87 118.95 113.44 1yvj s ARG 1085Ca 0.08 1.35 -0.15 0.00 -0.52 0.00 0.00 55.73 56.48 1yvj s ARG 1085Cb 0.16 -2.10 -0.06 0.00 0.52 0.00 0.00 34.95 33.47 1yvj s ARG 1085CO 0.74 -0.42 1.01 -1.25 0.02 0.00 0.00 175.30 175.40 1yvj s PRO 1086N -3.26 3.72 0.60 3.54 0.04 -1.26 -5.04 135.00 133.35 1yvj s PRO 1086Ca 0.67 0.96 -0.12 0.00 0.04 0.00 0.00 61.00 62.55 1yvj s PRO 1086Cb -0.16 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 1yvj s PRO 1086CO 0.20 -0.46 1.02 -1.54 0.04 0.00 0.00 177.00 176.26 1yvj s SER 1087N -3.25 6.24 0.34 6.66 1.04 -1.26 -4.89 113.70 118.58 1yvj s SER 1087Ca 0.59 1.47 0.03 0.00 0.48 0.00 0.00 55.95 58.52 1yvj s SER 1087Cb -0.11 -2.48 0.61 0.00 0.10 0.00 0.00 66.02 64.14 1yvj s SER 1087CO 0.37 -0.86 1.94 -0.26 0.98 0.00 0.00 173.24 175.41 1yvj h PHE 1088N -0.08 0.69 0.00 5.02 0.04 -1.94 -0.13 116.94 120.54 1yvj h PHE 1088Ca -0.45 -0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.25 1yvj h PHE 1088Cb 1.19 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 39.12 1yvj h PHE 1088CO 0.65 0.53 -0.22 0.66 -0.60 0.00 0.00 178.31 179.33 1yvj h SER 1089N 0.69 0.00 0.97 2.17 4.64 -1.92 0.05 113.55 120.14 1yvj h SER 1089Ca 0.17 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.30 1yvj h SER 1089Cb 0.12 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.18 1yvj h SER 1089CO -0.02 0.22 -1.10 0.00 -0.87 0.00 0.00 176.83 175.06 1yvj h ALA 1090N 1.78 0.59 -0.09 5.18 0.00 -1.73 -3.35 119.26 121.63 1yvj h ALA 1090Ca -0.00 -0.88 -0.17 0.00 0.00 0.00 0.00 54.91 53.86 1yvj h ALA 1090Cb 0.46 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1yvj h ALA 1090CO 0.03 1.07 -0.59 -0.07 0.00 0.00 0.00 179.25 179.69 1yvj h LEU 1091N 0.00 0.68 -0.14 0.00 3.38 -0.33 -3.32 115.31 115.57 1yvj h LEU 1091Ca -0.10 -0.66 0.02 0.00 0.09 0.00 0.00 57.88 57.23 1yvj h LEU 1091Cb 1.67 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.19 1yvj h LEU 1091CO 0.08 1.23 -0.19 1.23 0.09 0.00 0.00 178.44 180.89 1yvj h GLY 1092N 0.18 -1.63 1.65 0.83 0.00 -1.14 -0.80 103.07 102.15 1yvj h GLY 1092Ca -0.05 0.80 0.03 0.00 0.00 0.00 0.00 47.33 48.12 1yvj h GLY 1092CO 0.12 -0.53 0.14 -0.56 0.00 0.00 0.00 176.54 175.71 1yvj h PRO 1093N -0.13 0.00 -0.39 4.80 0.13 -1.74 -0.37 132.00 134.29 1yvj h PRO 1093Ca 0.02 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.01 1yvj h PRO 1093Cb 0.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.32 1yvj h PRO 1093CO -0.21 0.00 -0.32 0.37 -0.23 0.00 0.00 178.00 177.62 1yvj h GLN 1094N 0.00 0.87 -0.15 0.86 5.75 -1.29 -2.19 115.11 118.96 1yvj h GLN 1094Ca 0.06 -0.42 -0.22 0.00 -0.15 0.00 0.00 58.65 57.92 1yvj h GLN 1094Cb 0.34 -0.01 0.01 0.00 1.07 0.00 0.00 27.48 28.89 1yvj h GLN 1094CO -0.00 1.06 -0.76 -0.07 -2.65 0.00 0.00 178.83 176.41 1yvj h LEU 1095N 0.73 0.92 -1.72 -2.39 3.38 -0.07 -2.76 115.31 113.40 1yvj h LEU 1095Ca 0.08 -0.63 0.04 0.00 0.09 0.00 0.00 57.88 57.45 1yvj h LEU 1095Cb 0.88 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1yvj h LEU 1095CO 0.08 1.41 0.25 0.44 0.09 0.00 0.00 178.44 180.71 1yvj h ASP 1096N 0.50 0.31 0.21 -0.43 5.19 -1.04 0.21 116.42 121.38 1yvj h ASP 1096Ca -0.05 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.34 1yvj h ASP 1096Cb 1.40 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.84 1yvj h ASP 1096CO 0.16 0.21 -0.10 0.24 -3.12 0.00 0.00 179.24 176.63 1yvj h MET 1097N 0.36 -0.28 -0.67 3.56 2.86 -1.31 -0.72 114.93 118.72 1yvj h MET 1097Ca 0.16 0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.90 1yvj h MET 1097Cb 0.17 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.85 1yvj h MET 1097CO -0.03 0.06 0.45 -0.07 1.06 0.00 0.00 176.91 178.38 1yvj h LEU 1098N -0.66 0.50 0.13 1.22 3.38 -1.10 0.21 115.31 118.99 1yvj h LEU 1098Ca -0.03 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1yvj h LEU 1098Cb 0.47 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1yvj h LEU 1098CO 0.05 0.31 -0.06 -0.25 0.09 0.00 0.00 178.44 178.57 1yvj h TRP 1099N 0.56 -0.16 0.00 1.13 7.01 -0.50 -2.38 115.95 121.61 1yvj h TRP 1099Ca 0.31 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.30 1yvj h TRP 1099Cb 0.46 0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.58 1yvj h TRP 1099CO -0.00 0.22 0.00 0.43 -2.79 0.00 0.00 178.44 176.30 1yvj n SER 1100N -4.98 0.00 0.06 2.65 7.64 -0.29 -1.14 113.62 117.56 1yvj n SER 1100Ca -0.09 0.32 0.11 0.00 1.01 0.00 0.00 58.87 60.23 1yvj n SER 1100Cb 0.24 -0.40 0.03 0.00 -1.01 0.00 0.00 64.21 63.07 1yvj n SER 1100CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yvj n GLY 1101N -0.32 -1.34 1.21 0.23 0.00 0.69 -3.37 105.19 102.29 1yvj n GLY 1101Ca 0.04 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 45.87 1yvj n GLY 1101CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1yvj n SER 1102N -2.32 3.56 0.00 1.61 7.64 -0.30 -5.05 113.62 118.77 1yvj n SER 1102Ca 0.01 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 57.90 1yvj n SER 1102Cb 0.50 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 1yvj n SER 1102CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92