#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kze s MET 839 N 0.00 4.42 0.00 0.00 1.00 -1.26 -5.02 119.30 118.44 3kze s MET 839 Ca 0.00 2.02 0.00 0.00 0.00 0.00 0.00 55.69 57.71 3kze s MET 839 Cb 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 34.83 31.64 3kze s MET 839 CO 0.00 -0.20 0.00 0.41 0.00 0.00 0.00 175.02 175.23 3kze n GLY 840 N 2.16 0.39 3.84 -0.03 0.00 -1.26 -4.98 105.19 105.32 3kze n GLY 840 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3kze n GLY 840 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kze s LYS 841 N 2.47 3.53 0.05 1.61 1.02 -1.26 -4.32 119.74 122.84 3kze s LYS 841 Ca 0.00 0.90 0.02 0.00 0.02 0.00 0.00 55.97 56.91 3kze s LYS 841 Cb 0.00 -2.07 -0.03 0.00 -0.52 0.00 0.00 37.83 35.21 3kze s LYS 841 CO 0.00 -0.62 -0.07 0.14 -0.92 0.00 0.00 175.35 173.87 3kze s VAL 842 N -2.91 0.53 -0.07 3.17 -7.23 -0.06 -4.97 120.40 108.85 3kze s VAL 842 Ca 0.58 -1.15 0.01 0.00 -1.81 0.00 0.00 61.98 59.61 3kze s VAL 842 Cb -0.12 -0.69 -0.03 0.00 0.56 0.00 0.00 36.38 36.10 3kze s VAL 842 CO 0.46 -0.44 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.84 3kze s THR 843 N -1.60 3.59 0.13 5.32 2.01 -1.26 -1.07 115.64 122.76 3kze s THR 843 Ca -0.08 -0.52 -0.18 0.00 0.31 0.00 0.00 61.69 61.22 3kze s THR 843 Cb -0.09 -2.46 0.04 0.00 0.01 0.00 0.00 72.50 70.01 3kze s THR 843 CO -0.00 0.59 0.44 -1.38 -0.69 0.00 0.00 174.62 173.59 3kze s HIS 844 N -0.76 -0.27 0.00 4.92 -3.43 0.07 -4.98 115.29 110.83 3kze s HIS 844 Ca 0.12 -0.02 -0.12 0.00 -0.80 0.00 0.00 55.06 54.23 3kze s HIS 844 Cb -0.11 0.32 -0.05 0.00 -1.43 0.00 0.00 32.58 31.31 3kze s HIS 844 CO 0.01 -0.73 0.37 -1.12 -2.00 0.00 0.00 174.74 171.27 3kze s SER 845 N -2.79 6.71 -0.06 7.38 0.01 -1.26 -1.33 113.70 122.35 3kze s SER 845 Ca 0.02 0.85 0.03 0.00 1.31 0.00 0.00 55.95 58.16 3kze s SER 845 Cb 0.01 -2.20 0.01 0.00 0.21 0.00 0.00 66.02 64.05 3kze s SER 845 CO -0.12 0.30 -0.14 -0.63 0.41 0.00 0.00 173.24 173.05 3kze s ILE 846 N -1.16 1.26 -0.10 1.44 1.01 -0.03 -4.99 121.20 118.64 3kze s ILE 846 Ca 0.25 -0.57 0.04 0.00 0.00 0.00 0.00 60.65 60.37 3kze s ILE 846 Cb -0.15 -1.12 0.00 0.00 0.01 0.00 0.00 42.46 41.20 3kze s ILE 846 CO 0.13 0.38 -0.22 -2.28 0.00 0.00 0.00 174.94 172.95 3kze s HIS 847 N 0.48 2.39 0.08 3.97 2.46 -1.26 -0.58 115.29 122.83 3kze s HIS 847 Ca -0.12 -0.99 0.07 0.00 0.47 0.00 0.00 55.06 54.49 3kze s HIS 847 Cb -0.15 -1.62 -0.03 0.00 -0.13 0.00 0.00 32.58 30.66 3kze s HIS 847 CO 0.04 -0.41 -0.19 0.42 -2.47 0.00 0.00 174.74 172.13 3kze s ILE 848 N 0.42 1.50 0.00 0.89 1.01 0.03 -4.99 121.20 120.06 3kze s ILE 848 Ca -0.18 -1.36 0.01 0.00 0.00 0.00 0.00 60.65 59.13 3kze s ILE 848 Cb -0.18 -1.36 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 3kze s ILE 848 CO 0.08 -0.04 -0.05 -1.61 0.00 0.00 0.00 174.94 173.32 3kze s GLU 849 N -1.63 0.39 0.21 2.79 8.01 -1.26 -0.59 118.70 126.62 3kze s GLU 849 Ca 0.04 -0.27 0.01 0.00 0.01 0.00 0.00 54.97 54.75 3kze s GLU 849 Cb -0.09 -0.33 -0.05 0.00 -4.31 0.00 0.00 34.13 29.35 3kze s GLU 849 CO 0.03 0.08 0.08 -1.59 0.01 0.00 0.00 175.26 173.87 3kze s LYS 850 N -0.39 1.25 0.00 1.61 -2.85 0.48 -4.99 119.74 114.84 3kze s LYS 850 Ca -0.01 -1.65 0.20 0.00 -1.00 0.00 0.00 55.97 53.51 3kze s LYS 850 Cb -0.03 -0.10 0.43 0.00 -2.06 0.00 0.00 37.83 36.07 3kze s LYS 850 CO -0.00 -0.27 1.36 0.43 0.10 0.00 0.00 175.35 176.97 3kze n SER 851 N -0.34 3.38 -2.85 0.03 7.64 -1.26 -4.65 113.62 115.57 3kze n SER 851 Ca -0.02 -1.95 -0.15 0.00 1.01 0.00 0.00 58.87 57.76 3kze n SER 851 Cb 0.65 -0.29 -0.04 0.00 -1.01 0.00 0.00 64.21 63.52 3kze n SER 851 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3kze n ASP 852 N 1.30 1.02 -0.43 6.43 5.68 -1.26 -5.07 116.55 124.22 3kze n ASP 852 Ca 0.18 -2.28 0.07 0.00 -0.50 0.00 0.00 54.79 52.27 3kze n ASP 852 Cb 0.55 0.63 0.17 0.00 -1.14 0.00 0.00 41.12 41.34 3kze n ASP 852 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 3kze n THR 853 N -0.53 1.96 -2.82 2.12 5.66 -1.26 -4.20 114.28 115.21 3kze n THR 853 Ca -0.03 -2.73 -0.38 0.00 -3.05 0.00 0.00 64.05 57.86 3kze n THR 853 Cb 0.36 -0.18 -0.06 0.00 -1.55 0.00 0.00 70.33 68.90 3kze n THR 853 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kze s ALA 854 N -2.92 3.29 0.42 1.79 0.00 -1.26 -4.81 121.76 118.28 3kze s ALA 854 Ca 0.35 0.51 0.16 0.00 0.00 0.00 0.00 51.96 52.97 3kze s ALA 854 Cb 0.33 -3.14 0.98 0.00 0.00 0.00 0.00 23.12 21.29 3kze s ALA 854 CO -0.03 0.21 1.96 0.00 0.00 0.00 0.00 175.76 177.89 3kze h ALA 855 N 3.57 1.56 -0.14 0.00 0.00 -1.86 -3.25 119.26 119.14 3kze h ALA 855 Ca -0.46 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3kze h ALA 855 Cb 1.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3kze h ALA 855 CO 0.66 0.28 0.00 -0.40 0.00 0.00 0.00 179.25 179.79 3kze n ASP 856 N -4.18 2.86 -0.09 0.00 5.68 -1.26 -4.45 116.55 115.11 3kze n ASP 856 Ca -0.02 -2.67 0.14 0.00 -0.50 0.00 0.00 54.79 51.74 3kze n ASP 856 Cb 0.29 -0.35 0.55 0.00 -1.14 0.00 0.00 41.12 40.47 3kze n ASP 856 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3kze n THR 857 N -0.63 0.00 0.42 2.12 -2.24 -1.23 -3.38 114.28 109.35 3kze n THR 857 Ca 0.14 -0.05 0.13 0.00 -2.27 0.00 0.00 64.05 62.00 3kze n THR 857 Cb 0.61 -0.08 0.40 0.00 -2.10 0.00 0.00 70.33 69.16 3kze n THR 857 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 3kze h TYR 858 N 0.47 0.00 -2.41 4.78 0.05 -1.84 -3.41 116.97 114.60 3kze h TYR 858 Ca 0.00 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.68 3kze h TYR 858 Cb 0.40 0.00 0.04 0.00 1.01 0.00 0.00 36.73 38.18 3kze h TYR 858 CO 0.00 0.00 -0.18 0.41 -1.05 0.00 0.00 178.16 177.34 3kze n GLY 859 N 0.82 0.49 3.47 3.88 0.00 -1.22 -1.46 105.19 111.18 3kze n GLY 859 Ca 0.04 -0.41 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 3kze n GLY 859 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kze s PHE 860 N -3.09 -0.38 0.11 1.61 -0.12 -1.26 -1.24 117.98 113.62 3kze s PHE 860 Ca 0.12 0.10 0.03 0.00 -0.05 0.00 0.00 56.93 57.12 3kze s PHE 860 Cb -0.05 0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 42.80 3kze s PHE 860 CO 0.19 -0.88 -0.08 -1.54 -0.05 0.00 0.00 175.22 172.86 3kze s SER 861 N -2.80 1.32 0.07 1.98 1.04 -0.70 -4.99 113.70 109.63 3kze s SER 861 Ca 0.04 -0.94 0.10 0.00 0.48 0.00 0.00 55.95 55.62 3kze s SER 861 Cb -0.01 0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.13 3kze s SER 861 CO -0.09 -0.38 -0.26 -0.76 0.98 0.00 0.00 173.24 172.73 3kze s LEU 862 N -2.87 2.22 0.24 2.42 1.43 -1.26 -0.25 118.68 120.61 3kze s LEU 862 Ca 0.10 -0.62 0.11 0.00 -1.03 0.00 0.00 54.13 52.69 3kze s LEU 862 Cb 0.02 -1.28 -0.05 0.00 0.03 0.00 0.00 46.19 44.92 3kze s LEU 862 CO -0.02 0.24 -0.17 -0.94 0.23 0.00 0.00 176.35 175.69 3kze s SER 863 N -1.45 3.76 0.04 2.29 1.04 0.57 -4.76 113.70 115.20 3kze s SER 863 Ca 0.12 -0.87 0.04 0.00 0.48 0.00 0.00 55.95 55.72 3kze s SER 863 Cb -0.10 -0.42 -0.02 0.00 0.10 0.00 0.00 66.02 65.58 3kze s SER 863 CO 0.03 0.07 -0.11 -0.55 0.98 0.00 0.00 173.24 173.66 3kze s SER 864 N -3.19 1.24 -0.12 7.02 0.15 -1.26 -1.10 113.70 116.44 3kze s SER 864 Ca 0.27 -0.47 -0.09 0.00 0.70 0.00 0.00 55.95 56.35 3kze s SER 864 Cb -0.07 -0.04 0.04 0.00 -1.71 0.00 0.00 66.02 64.24 3kze s SER 864 CO 0.14 -0.07 0.30 0.54 1.20 0.00 0.00 173.24 175.36 3kze s VAL 865 N -1.03 -0.01 -0.21 4.45 0.11 -0.84 -5.01 120.40 117.86 3kze s VAL 865 Ca -0.03 0.05 -0.06 0.00 -2.93 0.00 0.00 61.98 59.01 3kze s VAL 865 Cb -0.08 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 34.30 3kze s VAL 865 CO 0.01 0.02 0.03 -1.61 -3.33 0.00 0.00 175.10 170.22 3kze s GLU 866 N 0.61 3.69 -0.05 1.54 2.02 -1.26 -0.40 118.70 124.84 3kze s GLU 866 Ca -0.04 -0.48 0.01 0.00 0.02 0.00 0.00 54.97 54.48 3kze s GLU 866 Cb -0.05 -3.17 0.02 0.00 0.10 0.00 0.00 34.13 31.04 3kze s GLU 866 CO -0.04 0.00 -0.04 -1.21 0.02 0.00 0.00 175.26 174.00 3kze s GLU 867 N 1.06 0.81 -1.46 1.61 8.01 -0.61 -4.83 118.70 123.29 3kze s GLU 867 Ca 0.03 -0.08 -0.08 0.00 0.01 0.00 0.00 54.97 54.85 3kze s GLU 867 Cb -0.14 -0.87 0.02 0.00 -4.31 0.00 0.00 34.13 28.82 3kze s GLU 867 CO 0.02 -0.12 0.89 -0.25 0.01 0.00 0.00 175.26 175.82 3kze n ASP 868 N 4.22 -5.95 -0.09 -0.19 8.00 -1.26 -1.54 116.55 119.74 3kze n ASP 868 Ca -0.22 -0.46 -0.01 0.00 0.71 0.00 0.00 54.79 54.81 3kze n ASP 868 Cb 0.51 -4.74 -0.01 0.00 -0.02 0.00 0.00 41.12 36.86 3kze n ASP 868 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kze n GLY 869 N -1.73 0.38 3.20 0.44 0.00 -1.26 -4.99 105.19 101.23 3kze n GLY 869 Ca -0.04 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 3kze n GLY 869 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kze s ILE 870 N -1.65 2.37 0.08 -0.61 -1.09 -0.59 -5.12 121.20 114.60 3kze s ILE 870 Ca 0.00 -0.86 -0.24 0.00 -2.23 0.00 0.00 60.65 57.32 3kze s ILE 870 Cb 0.00 -1.99 -0.06 0.00 -1.58 0.00 0.00 42.46 38.83 3kze s ILE 870 CO 0.00 0.53 0.74 -0.60 -1.23 0.00 0.00 174.94 174.38 3kze s ARG 871 N 0.97 4.48 0.05 2.79 3.00 -1.26 -1.58 118.95 127.40 3kze s ARG 871 Ca -0.03 1.05 0.09 0.00 -1.00 0.00 0.00 55.73 55.83 3kze s ARG 871 Cb -0.15 -3.32 -0.03 0.00 0.00 0.00 0.00 34.95 31.45 3kze s ARG 871 CO -0.04 0.41 -0.24 1.03 0.00 0.00 0.00 175.30 176.47 3kze s ARG 872 N -0.50 1.88 -0.08 5.12 0.52 0.46 -3.70 118.95 122.65 3kze s ARG 872 Ca 0.36 -1.07 0.03 0.00 -0.52 0.00 0.00 55.73 54.53 3kze s ARG 872 Cb -0.21 -2.05 -0.02 0.00 0.52 0.00 0.00 34.95 33.19 3kze s ARG 872 CO 0.23 0.52 -0.16 -0.51 0.02 0.00 0.00 175.30 175.40 3kze s LEU 873 N -1.34 2.60 0.08 2.53 1.43 -1.26 -1.98 118.68 120.74 3kze s LEU 873 Ca 0.13 -0.30 0.07 0.00 -1.03 0.00 0.00 54.13 52.99 3kze s LEU 873 Cb -0.10 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 3kze s LEU 873 CO 0.03 0.26 -0.18 -0.31 0.23 0.00 0.00 176.35 176.39 3kze s TYR 874 N -0.24 1.54 -0.21 0.29 2.02 -0.26 -0.40 117.35 120.10 3kze s TYR 874 Ca 0.01 -0.41 -0.29 0.00 -0.37 0.00 0.00 57.07 56.00 3kze s TYR 874 Cb -0.13 -0.87 -0.02 0.00 -0.40 0.00 0.00 41.96 40.54 3kze s TYR 874 CO 0.03 0.12 1.40 0.08 -1.57 0.00 0.00 175.55 175.61 3kze s VAL 875 N -1.10 4.03 -0.12 0.71 1.01 0.14 -0.31 120.40 124.76 3kze s VAL 875 Ca 0.03 1.20 -0.25 0.00 0.00 0.00 0.00 61.98 62.96 3kze s VAL 875 Cb -0.09 -3.93 -0.27 0.00 0.00 0.00 0.00 36.38 32.09 3kze s VAL 875 CO 0.03 -0.28 0.73 -1.13 0.00 0.00 0.00 175.10 174.46 3kze h ASN 876 N 9.27 0.15 -4.90 3.32 -1.24 -0.92 -0.59 115.58 120.67 3kze h ASN 876 Ca -0.29 -0.93 -0.11 0.00 0.71 0.00 0.00 56.30 55.68 3kze h ASN 876 Cb 1.12 -0.05 -0.20 0.00 0.73 0.00 0.00 38.32 39.92 3kze h ASN 876 CO 1.00 1.20 -0.20 -0.94 -1.29 0.00 0.00 177.43 177.20 3kze s SER 877 N -6.54 -0.29 -0.09 1.15 1.04 -1.21 -4.74 113.70 103.02 3kze s SER 877 Ca -0.19 0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.52 3kze s SER 877 Cb -0.01 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.52 3kze s SER 877 CO 0.72 -0.45 -0.17 -0.69 0.98 0.00 0.00 173.24 173.64 3kze s VAL 878 N -1.18 1.54 0.07 5.02 1.01 -1.26 -1.72 120.40 123.89 3kze s VAL 878 Ca -0.12 -0.71 -0.31 0.00 0.00 0.00 0.00 61.98 60.85 3kze s VAL 878 Cb -0.04 -1.38 -0.07 0.00 0.00 0.00 0.00 36.38 34.89 3kze s VAL 878 CO 0.05 0.45 1.49 -0.75 0.00 0.00 0.00 175.10 176.34 3kze s LYS 879 N 0.64 4.26 0.23 2.72 2.47 -0.37 -4.92 119.74 124.77 3kze s LYS 879 Ca -0.14 2.14 -0.07 0.00 -1.56 0.00 0.00 55.97 56.35 3kze s LYS 879 Cb -0.16 -3.45 0.35 0.00 -1.46 0.00 0.00 37.83 33.10 3kze s LYS 879 CO 0.04 -0.59 1.77 1.49 0.16 0.00 0.00 175.35 178.22 3kze h GLU 880 N 7.61 0.56 -0.62 4.03 4.81 -1.99 -1.80 114.58 127.17 3kze h GLU 880 Ca -0.41 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 3kze h GLU 880 Cb 1.20 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3kze h GLU 880 CO 0.90 0.37 0.00 0.25 -0.73 0.00 0.00 179.01 179.80 3kze n THR 881 N -4.88 1.24 -1.87 0.32 -2.24 -1.26 -4.80 114.28 100.79 3kze n THR 881 Ca 0.11 -1.08 -0.29 0.00 -2.27 0.00 0.00 64.05 60.52 3kze n THR 881 Cb 0.29 0.39 0.14 0.00 -2.10 0.00 0.00 70.33 69.04 3kze n THR 881 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3kze s GLY 882 N -1.01 1.68 0.11 3.38 0.00 -0.68 -4.87 107.32 105.92 3kze s GLY 882 Ca 0.44 -0.90 -0.21 0.00 0.00 0.00 0.00 44.72 44.05 3kze s GLY 882 CO 0.27 -0.27 1.76 1.41 0.00 0.00 0.00 173.10 176.27 3kze h LEU 883 N -1.39 0.11 -0.86 0.66 3.38 -1.80 -2.47 115.31 112.93 3kze h LEU 883 Ca -0.46 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.52 3kze h LEU 883 Cb 1.29 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.97 3kze h LEU 883 CO 0.52 0.08 0.57 0.00 0.09 0.00 0.00 178.44 179.71 3kze h ALA 884 N 1.04 1.10 -0.55 1.53 0.00 -1.51 -2.22 119.26 118.65 3kze h ALA 884 Ca 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3kze h ALA 884 Cb -0.01 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 3kze h ALA 884 CO -0.01 0.50 0.30 1.03 0.00 0.00 0.00 179.25 181.07 3kze h SER 885 N 1.17 0.68 0.35 0.00 0.87 -1.73 -0.62 113.55 114.27 3kze h SER 885 Ca 0.32 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 3kze h SER 885 Cb -0.13 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.65 3kze h SER 885 CO -0.07 0.58 -0.05 0.11 -0.53 0.00 0.00 176.83 176.87 3kze h LYS 886 N 0.73 0.00 -0.18 2.24 1.57 -0.94 0.01 116.57 120.00 3kze h LYS 886 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3kze h LYS 886 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3kze h LYS 886 CO -0.03 0.05 0.00 1.63 -0.57 0.00 0.00 179.45 180.53 3kze n LYS 887 N -3.37 1.99 -0.71 3.15 4.76 -0.78 -4.96 118.16 118.24 3kze n LYS 887 Ca -0.02 -1.48 0.00 0.00 -2.87 0.00 0.00 58.31 53.94 3kze n LYS 887 Cb 0.18 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 3kze n LYS 887 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kze n GLY 888 N 1.26 0.59 3.74 0.72 0.00 -0.01 -4.95 105.19 106.54 3kze n GLY 888 Ca 0.17 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 3kze n GLY 888 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kze s LEU 889 N 0.00 4.53 0.04 0.99 2.96 -0.31 -5.00 118.68 121.89 3kze s LEU 889 Ca 0.00 2.00 0.08 0.00 -0.22 0.00 0.00 54.13 56.00 3kze s LEU 889 Cb 0.00 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 3kze s LEU 889 CO 0.00 -0.11 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.15 3kze s LYS 890 N -0.51 1.62 0.23 1.98 -0.14 -1.26 -4.42 119.74 117.24 3kze s LYS 890 Ca 0.47 -1.01 -0.32 0.00 -1.36 0.00 0.00 55.97 53.75 3kze s LYS 890 Cb -0.27 -1.76 -0.13 0.00 -1.68 0.00 0.00 37.83 33.99 3kze s LYS 890 CO 0.34 0.45 1.47 0.00 -0.76 0.00 0.00 175.35 176.85 3kze n ALA 891 N 1.87 1.37 -0.03 5.17 0.00 -1.26 -1.54 120.51 126.09 3kze n ALA 891 Ca -0.17 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3kze n ALA 891 Cb 0.53 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.66 3kze n ALA 891 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kze n GLY 892 N 2.41 1.33 3.74 0.00 0.00 -0.23 -5.00 105.19 107.44 3kze n GLY 892 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 3kze n GLY 892 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kze s ASP 893 N -2.92 4.91 -0.13 1.61 1.01 -0.59 -4.75 116.67 115.80 3kze s ASP 893 Ca 0.00 2.64 -0.11 0.00 0.71 0.00 0.00 52.55 55.80 3kze s ASP 893 Cb 0.00 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 3kze s ASP 893 CO 0.00 -1.80 0.21 -0.70 0.21 0.00 0.00 175.17 173.09 3kze s GLU 894 N -3.21 3.89 -0.42 8.23 2.12 -0.31 -0.68 118.70 128.32 3kze s GLU 894 Ca 0.78 -0.02 -0.20 0.00 0.36 0.00 0.00 54.97 55.90 3kze s GLU 894 Cb -0.38 -3.31 0.02 0.00 0.26 0.00 0.00 34.13 30.72 3kze s GLU 894 CO 0.42 0.52 0.58 0.42 -0.54 0.00 0.00 175.26 176.65 3kze s ILE 895 N -0.33 4.91 0.02 -3.70 -1.09 0.46 -0.88 121.20 120.59 3kze s ILE 895 Ca 0.15 0.05 -0.14 0.00 -2.23 0.00 0.00 60.65 58.49 3kze s ILE 895 Cb -0.13 -4.13 -0.34 0.00 -1.58 0.00 0.00 42.46 36.28 3kze s ILE 895 CO 0.04 -0.50 0.94 -0.07 -1.23 0.00 0.00 174.94 174.12 3kze h LEU 896 N 9.46 0.77 -7.67 2.97 3.38 -0.85 -3.37 115.31 120.00 3kze h LEU 896 Ca -0.26 -0.88 -0.13 0.00 0.09 0.00 0.00 57.88 56.70 3kze h LEU 896 Cb 1.10 -0.25 -0.20 0.00 0.09 0.00 0.00 40.66 41.40 3kze h LEU 896 CO 0.85 1.70 -0.41 -1.61 0.09 0.00 0.00 178.44 179.06 3kze s GLU 897 N -2.60 0.56 -0.09 1.13 2.02 -1.08 -0.60 118.70 118.03 3kze s GLU 897 Ca -0.10 -0.34 0.01 0.00 0.02 0.00 0.00 54.97 54.56 3kze s GLU 897 Cb 0.05 0.24 0.02 0.00 0.10 0.00 0.00 34.13 34.53 3kze s GLU 897 CO 0.92 -0.14 -0.10 0.42 0.02 0.00 0.00 175.26 176.39 3kze s ILE 898 N -1.43 1.07 -1.54 -1.63 1.01 -0.25 -0.97 121.20 117.47 3kze s ILE 898 Ca -0.14 -0.37 -0.12 0.00 0.00 0.00 0.00 60.65 60.03 3kze s ILE 898 Cb -0.07 -1.04 0.08 0.00 0.01 0.00 0.00 42.46 41.45 3kze s ILE 898 CO 0.02 0.36 0.81 0.59 0.00 0.00 0.00 174.94 176.73 3kze n ASN 899 N 4.46 -3.29 0.00 3.58 3.02 0.66 -1.65 115.26 122.03 3kze n ASN 899 Ca -0.17 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 3kze n ASN 899 Cb 0.51 -3.47 0.00 0.00 -0.61 0.00 0.00 39.78 36.21 3kze n ASN 899 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3kze n ASN 900 N -2.83 -2.29 -4.67 6.41 3.02 -1.26 -4.99 115.26 108.64 3kze n ASN 900 Ca -0.04 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.16 3kze n ASN 900 Cb 0.56 -1.20 -0.09 0.00 -0.61 0.00 0.00 39.78 38.43 3kze n ASN 900 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3kze s ARG 901 N -0.52 3.82 0.58 3.52 0.52 -0.66 -5.08 118.95 121.13 3kze s ARG 901 Ca 0.00 -0.33 -0.20 0.00 -0.52 0.00 0.00 55.73 54.69 3kze s ARG 901 Cb 0.00 -3.17 -0.05 0.00 0.52 0.00 0.00 34.95 32.25 3kze s ARG 901 CO 0.00 0.37 1.10 0.00 0.02 0.00 0.00 175.30 176.79 3kze n ALA 902 N 3.22 0.62 -0.33 2.13 0.00 -1.26 -1.09 120.51 123.80 3kze n ALA 902 Ca -0.17 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.45 3kze n ALA 902 Cb 0.53 -2.19 0.34 0.00 0.00 0.00 0.00 19.45 18.12 3kze n ALA 902 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kze h ALA 903 N 0.82 1.73 0.00 0.00 0.00 -1.11 0.66 119.26 121.37 3kze h ALA 903 Ca -0.49 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3kze h ALA 903 Cb 1.34 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3kze h ALA 903 CO 0.53 -0.05 0.00 -3.47 0.00 0.00 0.00 179.25 176.26 3kze n ASP 904 N -4.67 0.00 -0.72 0.00 2.03 -1.24 -2.85 116.55 109.10 3kze n ASP 904 Ca 0.21 -0.72 0.08 0.00 0.52 0.00 0.00 54.79 54.89 3kze n ASP 904 Cb 0.53 -0.05 0.23 0.00 -0.72 0.00 0.00 41.12 41.10 3kze n ASP 904 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kze n ALA 905 N -1.05 2.88 -2.49 -1.67 0.00 0.22 -4.84 120.51 113.57 3kze n ALA 905 Ca 0.19 -2.42 -0.33 0.00 0.00 0.00 0.00 53.44 50.88 3kze n ALA 905 Cb 0.12 -0.64 -0.13 0.00 0.00 0.00 0.00 19.45 18.80 3kze n ALA 905 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kze s LEU 906 N -2.86 2.78 0.48 0.00 1.43 -1.13 -4.86 118.68 114.51 3kze s LEU 906 Ca 0.40 -0.19 0.06 0.00 -1.03 0.00 0.00 54.13 53.37 3kze s LEU 906 Cb 0.33 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.97 3kze s LEU 906 CO 0.07 0.34 0.26 0.54 0.23 0.00 0.00 176.35 177.79 3kze s ASN 907 N -0.78 4.52 0.38 2.29 2.20 -1.26 -5.00 114.94 117.29 3kze s ASN 907 Ca 0.12 -1.20 0.07 0.00 -0.94 0.00 0.00 52.86 50.91 3kze s ASN 907 Cb -0.11 0.00 0.76 0.00 -2.00 0.00 0.00 41.25 39.90 3kze s ASN 907 CO 0.01 -0.82 1.95 0.77 -2.94 0.00 0.00 177.10 176.08 3kze h SER 908 N 1.12 0.40 -0.36 3.54 4.64 -2.00 -1.41 113.55 119.48 3kze h SER 908 Ca -0.40 -0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 60.77 3kze h SER 908 Cb 1.28 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 3kze h SER 908 CO 0.64 0.43 -0.13 0.28 -0.87 0.00 0.00 176.83 177.18 3kze h SER 909 N 0.43 0.73 -0.48 4.97 0.02 -2.00 -2.34 113.55 114.88 3kze h SER 909 Ca 0.10 -0.39 -0.09 0.00 -0.84 0.00 0.00 61.79 60.58 3kze h SER 909 Cb 0.20 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3kze h SER 909 CO -0.00 0.95 -0.01 0.24 -1.14 0.00 0.00 176.83 176.87 3kze h MET 910 N 0.50 0.92 -0.04 3.45 2.86 -1.86 -2.25 114.93 118.51 3kze h MET 910 Ca 0.08 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 3kze h MET 910 Cb 0.66 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 3kze h MET 910 CO 0.04 0.92 0.02 -0.07 1.06 0.00 0.00 176.91 178.88 3kze h LEU 911 N 0.84 0.04 -0.35 1.22 3.38 -1.17 0.18 115.31 119.46 3kze h LEU 911 Ca 0.16 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3kze h LEU 911 Cb 0.52 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3kze h LEU 911 CO 0.03 0.03 0.21 0.11 0.09 0.00 0.00 178.44 178.91 3kze h LYS 912 N 0.05 0.47 0.50 1.13 1.57 -1.34 -0.28 116.57 118.66 3kze h LYS 912 Ca 0.01 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3kze h LYS 912 Cb -0.00 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3kze h LYS 912 CO -0.00 0.35 -0.35 0.22 -0.57 0.00 0.00 179.45 179.09 3kze h ASP 913 N 0.46 -0.91 -0.79 0.86 3.58 -1.19 -2.57 116.42 115.85 3kze h ASP 913 Ca 0.13 0.06 0.03 0.00 0.42 0.00 0.00 57.03 57.67 3kze h ASP 913 Cb -0.00 0.28 -0.05 0.00 1.72 0.00 0.00 39.33 41.28 3kze h ASP 913 CO -0.02 -0.53 0.51 -0.26 -2.88 0.00 0.00 179.24 176.05 3kze h PHE 914 N -0.83 0.95 0.00 0.28 0.04 -0.49 -0.97 116.94 115.92 3kze h PHE 914 Ca -0.05 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.74 3kze h PHE 914 Cb 0.69 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.53 3kze h PHE 914 CO -0.13 0.55 0.00 1.28 -0.60 0.00 0.00 178.31 179.40 3kze n LEU 915 N -4.59 0.00 -0.27 1.54 4.77 -0.13 -2.57 117.00 115.75 3kze n LEU 915 Ca 0.09 0.33 0.05 0.00 -0.03 0.00 0.00 56.01 56.45 3kze n LEU 915 Cb 0.09 -0.33 0.01 0.00 -2.33 0.00 0.00 43.42 40.86 3kze n LEU 915 CO 0.34 -0.17 0.26 -1.54 -1.33 0.00 0.00 177.39 174.94 3kze n SER 916 N -1.33 1.36 -4.85 -1.43 3.41 -0.40 -4.59 113.62 105.79 3kze n SER 916 Ca 0.06 -1.18 -0.31 0.00 -0.26 0.00 0.00 58.87 57.18 3kze n SER 916 Cb 0.12 0.37 0.01 0.00 -0.26 0.00 0.00 64.21 64.46 3kze n SER 916 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3kze s GLN 917 N -1.27 3.54 0.37 4.33 -0.21 -1.03 -4.09 119.66 121.30 3kze s GLN 917 Ca 0.09 0.85 0.27 0.00 0.02 0.00 0.00 55.36 56.60 3kze s GLN 917 Cb 0.08 -2.07 1.22 0.00 1.00 0.00 0.00 33.01 33.24 3kze s GLN 917 CO 0.23 -0.62 1.82 -1.35 -2.12 0.00 0.00 175.29 173.26 3kze h PRO 918 N -0.10 0.00 -4.45 2.91 0.11 -1.83 -3.43 132.00 125.21 3kze h PRO 918 Ca -0.45 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.46 3kze h PRO 918 Cb 1.19 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.13 3kze h PRO 918 CO 0.61 0.00 -0.70 -1.54 -0.21 0.00 0.00 178.00 176.15 3kze s SER 919 N -4.64 0.81 -0.11 -2.05 1.04 -1.26 -0.39 113.70 107.10 3kze s SER 919 Ca 0.02 -0.83 -0.06 0.00 0.48 0.00 0.00 55.95 55.56 3kze s SER 919 Cb 0.09 0.10 0.05 0.00 0.10 0.00 0.00 66.02 66.36 3kze s SER 919 CO 0.40 -0.41 0.27 -0.22 0.98 0.00 0.00 173.24 174.26 3kze s LEU 920 N -2.45 0.40 -0.11 2.42 2.96 0.24 -4.98 118.68 117.17 3kze s LEU 920 Ca 0.02 0.58 0.01 0.00 -0.22 0.00 0.00 54.13 54.52 3kze s LEU 920 Cb 0.00 0.85 -0.02 0.00 0.50 0.00 0.00 46.19 47.52 3kze s LEU 920 CO -0.04 -0.16 -0.14 -0.83 -1.32 0.00 0.00 176.35 173.86 3kze s GLY 921 N 1.15 1.53 -0.00 7.98 0.00 -1.26 -0.79 107.32 115.93 3kze s GLY 921 Ca -0.08 -0.91 0.04 0.00 0.00 0.00 0.00 44.72 43.77 3kze s GLY 921 CO -0.08 -0.34 -0.14 1.08 0.00 0.00 0.00 173.10 173.62 3kze s LEU 922 N 0.09 2.05 -0.23 0.66 1.43 0.26 -0.25 118.68 122.69 3kze s LEU 922 Ca -0.06 -0.29 -0.06 0.00 -1.03 0.00 0.00 54.13 52.69 3kze s LEU 922 Cb -0.15 -0.70 -0.03 0.00 0.03 0.00 0.00 46.19 45.35 3kze s LEU 922 CO 0.05 0.15 0.04 -0.22 0.23 0.00 0.00 176.35 176.59 3kze s LEU 923 N -0.48 3.38 -0.02 1.79 2.96 -0.14 -0.85 118.68 125.32 3kze s LEU 923 Ca 0.05 -0.20 0.06 0.00 -0.22 0.00 0.00 54.13 53.82 3kze s LEU 923 Cb -0.06 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 3kze s LEU 923 CO -0.00 0.01 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.14 3kze s VAL 924 N 1.34 1.62 -0.17 1.68 1.01 -0.44 -0.17 120.40 125.27 3kze s VAL 924 Ca 0.05 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 3kze s VAL 924 Cb -0.15 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 3kze s VAL 924 CO 0.02 0.46 -0.08 -0.60 0.00 0.00 0.00 175.10 174.91 3kze s ARG 925 N -0.42 3.46 0.15 2.72 3.52 -0.06 -0.75 118.95 127.57 3kze s ARG 925 Ca 0.06 -0.62 -0.03 0.00 -0.13 0.00 0.00 55.73 55.01 3kze s ARG 925 Cb -0.09 -2.83 -0.03 0.00 -1.56 0.00 0.00 34.95 30.44 3kze s ARG 925 CO -0.00 0.09 0.13 -0.08 -0.81 0.00 0.00 175.30 174.62 3kze s THR 926 N 0.71 0.08 -0.13 4.11 -1.32 -0.23 -1.17 115.64 117.69 3kze s THR 926 Ca -0.04 -1.79 -0.11 0.00 -1.21 0.00 0.00 61.69 58.54 3kze s THR 926 Cb -0.15 -2.06 -0.05 0.00 -1.51 0.00 0.00 72.50 68.73 3kze s THR 926 CO 0.02 -0.36 0.22 -0.31 -2.21 0.00 0.00 174.62 171.98 3kze s TYR 927 N -4.04 3.53 0.34 9.09 2.02 -1.26 -0.88 117.35 126.14 3kze s TYR 927 Ca 0.24 0.57 -0.27 0.00 -0.37 0.00 0.00 57.07 57.24 3kze s TYR 927 Cb 0.06 -2.16 -0.13 0.00 -0.40 0.00 0.00 41.96 39.34 3kze s TYR 927 CO 0.03 0.47 1.10 -2.30 -1.57 0.00 0.00 175.55 173.28 3kze n PRO 928 N 2.80 1.61 -4.47 -1.71 -0.02 -1.26 -5.00 135.00 126.95 3kze n PRO 928 Ca -0.16 0.57 -0.20 0.00 -2.02 0.00 0.00 63.50 61.69 3kze n PRO 928 Cb 0.53 -2.05 -0.15 0.00 -0.02 0.00 0.00 33.50 31.81 3kze n PRO 928 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3kze s GLU 929 N -1.77 0.93 0.00 -0.52 2.12 -1.26 -5.16 118.70 113.04 3kze s GLU 929 Ca 0.58 -0.47 0.05 0.00 0.36 0.00 0.00 54.97 55.49 3kze s GLU 929 Cb -0.62 -0.90 0.31 0.00 0.26 0.00 0.00 34.13 33.18 3kze s GLU 929 CO 0.60 0.24 0.78 1.28 -0.54 0.00 0.00 175.26 177.62