#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka3 s VAL 847 N 0.00 1.42 -0.19 0.52 1.01 -1.26 -5.02 120.40 116.89 2ka3 s VAL 847 Ca 0.00 -0.54 0.22 0.00 0.00 0.00 0.00 61.98 61.66 2ka3 s VAL 847 Cb 0.00 -1.36 -0.08 0.00 0.00 0.00 0.00 36.38 34.95 2ka3 s VAL 847 CO 0.00 0.43 0.91 -0.81 0.00 0.00 0.00 175.10 175.64 2ka3 n PRO 848 N 4.81 0.62 -3.60 2.72 -0.04 -1.26 -5.01 135.00 133.24 2ka3 n PRO 848 Ca -0.16 0.09 -0.21 0.00 -0.04 0.00 0.00 63.50 63.18 2ka3 n PRO 848 Cb 0.50 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 2ka3 n PRO 848 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2ka3 n GLN 849 N -2.65 -1.31 -5.19 0.54 7.27 -1.26 -5.00 117.38 109.79 2ka3 n GLN 849 Ca -0.03 0.63 -0.32 0.00 0.07 0.00 0.00 57.00 57.35 2ka3 n GLN 849 Cb 0.60 -1.86 -0.16 0.00 2.41 0.00 0.00 30.24 31.23 2ka3 n GLN 849 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2ka3 s VAL 850 N -2.83 2.26 0.10 1.69 1.01 -1.26 -5.04 120.40 116.34 2ka3 s VAL 850 Ca 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.00 2ka3 s VAL 850 Cb -0.00 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 2ka3 s VAL 850 CO 0.76 0.57 -0.07 0.00 0.00 0.00 0.00 175.10 176.36 2ka3 s ALA 851 N -0.29 1.02 -0.13 5.51 0.00 -1.26 -3.86 121.76 122.75 2ka3 s ALA 851 Ca 0.01 -1.31 -0.11 0.00 0.00 0.00 0.00 51.96 50.54 2ka3 s ALA 851 Cb -0.13 0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.15 2ka3 s ALA 851 CO 0.02 -0.18 0.34 -0.59 0.00 0.00 0.00 175.76 175.35 2ka3 s PHE 852 N -3.31 -0.39 -0.30 0.00 -0.12 -1.11 -3.40 117.98 109.36 2ka3 s PHE 852 Ca 0.10 0.93 -0.13 0.00 -0.05 0.00 0.00 56.93 57.79 2ka3 s PHE 852 Cb 0.03 0.13 0.17 0.00 -0.63 0.00 0.00 43.02 42.72 2ka3 s PHE 852 CO -0.03 -0.20 0.94 0.45 -0.05 0.00 0.00 175.22 176.34 2ka3 s SER 853 N 0.35 -0.66 0.16 1.98 0.15 -0.13 -2.12 113.70 113.43 2ka3 s SER 853 Ca -0.01 0.75 0.10 0.00 0.70 0.00 0.00 55.95 57.49 2ka3 s SER 853 Cb -0.03 1.69 -0.04 0.00 -1.71 0.00 0.00 66.02 65.93 2ka3 s SER 853 CO -0.01 -0.13 -0.22 0.00 1.20 0.00 0.00 173.24 174.09 2ka3 s ALA 854 N 2.61 2.58 0.09 5.45 0.00 -0.90 -1.87 121.76 129.72 2ka3 s ALA 854 Ca -0.00 -1.52 0.02 0.00 0.00 0.00 0.00 51.96 50.46 2ka3 s ALA 854 Cb -0.08 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 2ka3 s ALA 854 CO -0.17 0.49 -0.07 0.00 0.00 0.00 0.00 175.76 176.02 2ka3 s ALA 855 N -1.42 0.90 -0.05 0.00 0.00 -0.04 -3.38 121.76 117.78 2ka3 s ALA 855 Ca 0.19 -1.22 0.02 0.00 0.00 0.00 0.00 51.96 50.95 2ka3 s ALA 855 Cb -0.09 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.17 2ka3 s ALA 855 CO 0.10 -0.18 -0.09 -1.17 0.00 0.00 0.00 175.76 174.42 2ka3 s LEU 856 N -2.69 1.58 0.00 0.00 1.98 -1.26 -2.32 118.68 115.96 2ka3 s LEU 856 Ca 0.07 -0.21 0.00 0.00 -2.89 0.00 0.00 54.13 51.10 2ka3 s LEU 856 Cb 0.02 -0.62 0.00 0.00 0.66 0.00 0.00 46.19 46.24 2ka3 s LEU 856 CO -0.03 0.01 0.30 -1.54 -1.89 0.00 0.00 176.35 173.20 2ka3 n SER 857 N 3.74 0.00 -0.38 3.68 3.41 -1.26 -4.86 113.62 117.96 2ka3 n SER 857 Ca -0.23 -0.98 -0.04 0.00 -0.26 0.00 0.00 58.87 57.36 2ka3 n SER 857 Cb 0.52 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2ka3 n SER 857 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ka3 n LEU 858 N 0.00 -0.19 0.04 1.04 -0.00 -1.26 -4.95 117.00 111.68 2ka3 n LEU 858 Ca 0.00 0.08 -0.21 0.00 -0.00 0.00 0.00 56.01 55.88 2ka3 n LEU 858 Cb 0.49 -0.08 -0.14 0.00 -0.00 0.00 0.00 43.42 43.69 2ka3 n LEU 858 CO 0.00 -0.32 -0.21 1.55 -0.00 0.00 0.00 177.39 178.41 2ka3 h PRO 859 N 0.05 0.30 -2.71 1.47 0.13 -2.06 -3.49 132.00 125.69 2ka3 h PRO 859 Ca -0.03 -0.52 0.09 0.00 -0.87 0.00 0.00 66.00 64.67 2ka3 h PRO 859 Cb 0.13 0.19 -0.03 0.00 0.13 0.00 0.00 31.00 31.42 2ka3 h PRO 859 CO 0.04 1.25 0.43 -0.98 -0.23 0.00 0.00 178.00 178.51 2ka3 s ARG 860 N -2.47 1.67 0.00 0.86 1.70 -1.26 -5.14 118.95 114.31 2ka3 s ARG 860 Ca -0.16 -1.05 0.00 0.00 -0.47 0.00 0.00 55.73 54.06 2ka3 s ARG 860 Cb 0.03 0.49 0.00 0.00 -0.57 0.00 0.00 34.95 34.90 2ka3 s ARG 860 CO 0.82 -0.78 0.00 0.43 -1.08 0.00 0.00 175.30 174.68 2ka3 n SER 861 N -1.11 0.00 -4.18 -2.89 7.64 -1.26 -4.97 113.62 106.85 2ka3 n SER 861 Ca -0.05 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.60 2ka3 n SER 861 Cb 0.60 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.66 2ka3 n SER 861 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2ka3 s GLU 862 N 0.00 1.17 0.02 1.43 2.12 -1.26 -5.05 118.70 117.12 2ka3 s GLU 862 Ca 0.00 -0.78 0.26 0.00 0.36 0.00 0.00 54.97 54.80 2ka3 s GLU 862 Cb 0.00 -1.20 1.08 0.00 0.26 0.00 0.00 34.13 34.26 2ka3 s GLU 862 CO 0.00 0.31 1.82 -0.35 -0.54 0.00 0.00 175.26 176.50 2ka3 n PRO 863 N 2.05 0.02 0.00 4.30 -0.04 -1.26 -4.88 135.00 135.19 2ka3 n PRO 863 Ca -0.17 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2ka3 n PRO 863 Cb 0.54 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2ka3 n PRO 863 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ka3 n GLY 864 N 1.14 3.85 3.76 0.55 0.00 -1.26 -5.15 105.19 108.08 2ka3 n GLY 864 Ca 0.06 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 2ka3 n GLY 864 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ka3 s THR 865 N -0.01 2.37 -0.11 2.61 2.01 -1.26 -4.98 115.64 116.27 2ka3 s THR 865 Ca 0.00 0.29 -0.21 0.00 0.31 0.00 0.00 61.69 62.08 2ka3 s THR 865 Cb 0.00 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 2ka3 s THR 865 CO 0.00 0.01 0.60 -0.69 -0.69 0.00 0.00 174.62 173.85 2ka3 s VAL 866 N -1.34 5.10 0.00 3.82 1.01 -1.26 -5.08 120.40 122.65 2ka3 s VAL 866 Ca 0.66 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.85 2ka3 s VAL 866 Cb -0.38 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.06 2ka3 s VAL 866 CO 0.46 0.25 0.00 -0.81 0.00 0.00 0.00 175.10 175.01 2ka3 n PRO 867 N 3.97 3.39 -3.73 2.72 -0.04 -1.26 -4.58 135.00 135.46 2ka3 n PRO 867 Ca -0.04 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.30 2ka3 n PRO 867 Cb 0.51 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.86 2ka3 n PRO 867 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2ka3 s PHE 868 N 1.98 -0.42 -0.05 0.54 -0.71 -1.26 -4.90 117.98 113.16 2ka3 s PHE 868 Ca 0.00 0.98 0.02 0.00 -1.04 0.00 0.00 56.93 56.89 2ka3 s PHE 868 Cb 0.00 0.15 -0.02 0.00 -1.21 0.00 0.00 43.02 41.93 2ka3 s PHE 868 CO 0.00 -0.23 0.06 -0.40 -1.34 0.00 0.00 175.22 173.31 2ka3 n ASP 869 N 3.56 1.73 -4.33 1.98 5.75 -1.22 -4.89 116.55 119.12 2ka3 n ASP 869 Ca -0.18 -0.34 -0.46 0.00 -0.01 0.00 0.00 54.79 53.79 2ka3 n ASP 869 Cb 0.56 1.03 -0.01 0.00 -1.03 0.00 0.00 41.12 41.67 2ka3 n ASP 869 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2ka3 s ARG 870 N -1.52 3.80 -0.71 0.11 1.81 -0.98 -4.99 118.95 116.47 2ka3 s ARG 870 Ca 0.00 -2.72 -0.26 0.00 -1.72 0.00 0.00 55.73 51.03 2ka3 s ARG 870 Cb 0.01 -4.46 -0.01 0.00 -0.45 0.00 0.00 34.95 30.04 2ka3 s ARG 870 CO 0.07 -1.27 1.76 0.08 -0.68 0.00 0.00 175.30 175.27 2ka3 s VAL 871 N -0.33 3.46 -0.05 3.52 1.01 -1.26 -0.86 120.40 125.89 2ka3 s VAL 871 Ca 0.22 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.25 2ka3 s VAL 871 Cb -0.10 -4.16 -0.27 0.00 0.00 0.00 0.00 36.38 31.84 2ka3 s VAL 871 CO -0.09 -1.12 0.63 -0.07 0.00 0.00 0.00 175.10 174.45 2ka3 h LEU 872 N 15.98 0.39 -6.94 3.92 3.38 -1.74 -3.46 115.31 126.85 2ka3 h LEU 872 Ca -0.17 -0.68 0.09 0.00 0.09 0.00 0.00 57.88 57.20 2ka3 h LEU 872 Cb 1.11 -0.13 -0.24 0.00 0.09 0.00 0.00 40.66 41.49 2ka3 h LEU 872 CO 1.24 1.59 0.19 -0.22 0.09 0.00 0.00 178.44 181.33 2ka3 s LEU 873 N -6.94 -0.73 -0.34 1.67 2.96 -1.23 -5.02 118.68 109.05 2ka3 s LEU 873 Ca -0.14 1.12 0.04 0.00 -0.22 0.00 0.00 54.13 54.93 2ka3 s LEU 873 Cb 0.07 2.00 0.32 0.00 0.50 0.00 0.00 46.19 49.08 2ka3 s LEU 873 CO 0.82 -0.17 1.36 -3.20 -1.32 0.00 0.00 176.35 173.84 2ka3 n ASN 874 N 4.25 -1.36 -0.22 3.68 2.85 -1.25 -0.95 115.26 122.26 2ka3 n ASN 874 Ca -0.17 -2.07 -0.04 0.00 -0.11 0.00 0.00 54.58 52.19 2ka3 n ASN 874 Cb 0.56 1.21 0.06 0.00 1.24 0.00 0.00 39.78 42.85 2ka3 n ASN 874 CO 0.00 0.00 0.00 -2.24 -2.11 0.00 0.00 177.26 172.91 2ka3 h ASP 875 N 2.34 0.65 0.36 1.20 2.03 -1.96 -3.21 116.42 117.83 2ka3 h ASP 875 Ca -0.29 -0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 55.78 2ka3 h ASP 875 Cb 1.20 -0.14 -0.04 0.00 -0.83 0.00 0.00 39.33 39.52 2ka3 h ASP 875 CO -0.00 0.45 -1.84 0.61 -1.03 0.00 0.00 179.24 177.43 2ka3 n GLY 876 N -1.27 -1.07 0.00 7.15 0.00 -1.26 -5.00 105.19 103.73 2ka3 n GLY 876 Ca 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2ka3 n GLY 876 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka3 n GLY 877 N 1.52 2.88 5.05 -0.02 0.00 -1.22 -5.01 105.19 108.40 2ka3 n GLY 877 Ca -0.18 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.08 2ka3 n GLY 877 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2ka3 n TYR 878 N 0.00 0.00 -3.43 1.61 4.01 -1.26 -4.62 117.16 113.47 2ka3 n TYR 878 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.35 2ka3 n TYR 878 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 38.94 2ka3 n TYR 878 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 2ka3 s TYR 879 N 0.00 3.23 -0.33 -0.72 1.13 -1.26 -4.09 117.35 115.32 2ka3 s TYR 879 Ca 0.00 0.28 -0.26 0.00 -1.41 0.00 0.00 57.07 55.67 2ka3 s TYR 879 Cb 0.00 -2.55 0.01 0.00 -1.10 0.00 0.00 41.96 38.32 2ka3 s TYR 879 CO 0.00 -0.25 0.94 0.34 -2.51 0.00 0.00 175.55 174.07 2ka3 s ASP 880 N 1.68 6.78 0.00 -0.18 -1.08 -1.08 -4.92 116.67 117.86 2ka3 s ASP 880 Ca 0.13 0.80 0.22 0.00 -0.52 0.00 0.00 52.55 53.17 2ka3 s ASP 880 Cb -0.16 -2.48 0.53 0.00 -1.46 0.00 0.00 42.92 39.35 2ka3 s ASP 880 CO 0.10 -0.79 1.45 -0.81 0.52 0.00 0.00 175.17 175.64 2ka3 n PRO 881 N 6.63 2.22 0.02 4.34 -0.04 -1.26 -0.23 135.00 146.69 2ka3 n PRO 881 Ca 0.08 -1.84 -0.19 0.00 -0.04 0.00 0.00 63.50 61.52 2ka3 n PRO 881 Cb 0.48 -1.47 -0.14 0.00 -0.04 0.00 0.00 33.50 32.33 2ka3 n PRO 881 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2ka3 h GLU 882 N 3.63 0.23 0.00 0.54 5.08 -1.92 -3.33 114.58 118.80 2ka3 h GLU 882 Ca 0.00 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2ka3 h GLU 882 Cb 0.80 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2ka3 h GLU 882 CO 0.00 1.19 -0.74 0.25 -1.00 0.00 0.00 179.01 178.70 2ka3 n THR 883 N -4.24 0.00 -1.50 1.13 -2.24 -1.25 -4.92 114.28 101.26 2ka3 n THR 883 Ca -0.13 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2ka3 n THR 883 Cb 0.74 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.93 2ka3 n THR 883 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ka3 n GLY 884 N 1.36 0.62 3.33 3.38 0.00 0.68 -4.50 105.19 110.07 2ka3 n GLY 884 Ca 0.03 -0.77 -0.44 0.00 0.00 0.00 0.00 46.02 44.83 2ka3 n GLY 884 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ka3 s VAL 885 N -2.00 4.99 -0.38 1.61 1.01 -0.69 -4.27 120.40 120.67 2ka3 s VAL 885 Ca 0.00 -1.32 -0.13 0.00 0.00 0.00 0.00 61.98 60.54 2ka3 s VAL 885 Cb 0.00 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 32.31 2ka3 s VAL 885 CO 0.00 -0.68 0.25 0.12 0.00 0.00 0.00 175.10 174.79 2ka3 s PHE 886 N 1.57 3.24 -0.44 5.22 2.19 -1.23 -2.65 117.98 125.87 2ka3 s PHE 886 Ca 0.04 -0.69 -0.15 0.00 0.33 0.00 0.00 56.93 56.46 2ka3 s PHE 886 Cb -0.26 -2.50 0.05 0.00 -1.31 0.00 0.00 43.02 38.99 2ka3 s PHE 886 CO 0.04 -0.58 0.35 0.99 1.83 0.00 0.00 175.22 177.86 2ka3 s THR 887 N 1.63 5.25 -0.42 0.12 2.01 -1.26 -3.37 115.64 119.60 2ka3 s THR 887 Ca 0.04 -0.87 -0.22 0.00 0.31 0.00 0.00 61.69 60.96 2ka3 s THR 887 Cb -0.19 -4.03 0.02 0.00 0.01 0.00 0.00 72.50 68.31 2ka3 s THR 887 CO 0.08 -0.45 0.70 0.00 -0.69 0.00 0.00 174.62 174.27 2ka3 s ALA 888 N 1.66 3.36 -2.31 7.40 0.00 -1.25 -4.73 121.76 125.88 2ka3 s ALA 888 Ca 0.05 -1.02 0.28 0.00 0.00 0.00 0.00 51.96 51.27 2ka3 s ALA 888 Cb -0.22 -3.34 0.98 0.00 0.00 0.00 0.00 23.12 20.55 2ka3 s ALA 888 CO 0.08 -1.71 1.70 -0.35 0.00 0.00 0.00 175.76 175.49 2ka3 n PRO 889 N 6.38 1.46 -0.08 0.00 -0.04 -1.26 -2.27 135.00 139.18 2ka3 n PRO 889 Ca 0.00 -0.84 -0.09 0.00 -0.04 0.00 0.00 63.50 62.53 2ka3 n PRO 889 Cb 0.48 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 2ka3 n PRO 889 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2ka3 h LEU 890 N 2.06 -1.09 -1.60 1.53 6.46 -1.96 -3.48 115.31 117.24 2ka3 h LEU 890 Ca 0.00 0.18 -0.37 0.00 -0.12 0.00 0.00 57.88 57.56 2ka3 h LEU 890 Cb 0.50 0.49 0.12 0.00 -0.73 0.00 0.00 40.66 41.04 2ka3 h LEU 890 CO 0.00 -0.34 -0.78 0.00 -0.62 0.00 0.00 178.44 176.70 2ka3 n ALA 891 N -2.96 -1.92 -3.00 1.25 0.00 -1.26 -4.78 120.51 107.83 2ka3 n ALA 891 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2ka3 n ALA 891 Cb 0.33 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.18 2ka3 n ALA 891 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ka3 n GLY 892 N -1.39 3.41 3.63 0.00 0.00 -1.26 -3.61 105.19 105.98 2ka3 n GLY 892 Ca -0.25 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.38 2ka3 n GLY 892 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ka3 s ARG 893 N 0.47 4.13 0.03 1.61 3.52 -0.71 -4.93 118.95 123.07 2ka3 s ARG 893 Ca 0.00 0.53 0.07 0.00 -0.13 0.00 0.00 55.73 56.20 2ka3 s ARG 893 Cb 0.00 -3.63 -0.03 0.00 -1.56 0.00 0.00 34.95 29.73 2ka3 s ARG 893 CO 0.00 -0.36 -0.17 -0.47 -0.81 0.00 0.00 175.30 173.49 2ka3 s TYR 894 N 2.33 2.59 -0.26 5.12 5.04 -1.26 -2.04 117.35 128.86 2ka3 s TYR 894 Ca 0.26 -0.23 -0.05 0.00 -2.44 0.00 0.00 57.07 54.60 2ka3 s TYR 894 Cb -0.16 -1.48 0.00 0.00 0.35 0.00 0.00 41.96 40.67 2ka3 s TYR 894 CO 0.09 0.26 0.03 -1.17 -1.34 0.00 0.00 175.55 173.42 2ka3 s LEU 895 N -1.41 3.48 -0.05 6.97 2.96 -1.11 -4.69 118.68 124.82 2ka3 s LEU 895 Ca 0.15 -0.59 0.04 0.00 -0.22 0.00 0.00 54.13 53.51 2ka3 s LEU 895 Cb -0.11 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 2ka3 s LEU 895 CO 0.05 -0.12 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.60 2ka3 s LEU 896 N 1.49 2.74 -0.09 -0.68 0.20 -1.26 -2.45 118.68 118.62 2ka3 s LEU 896 Ca 0.04 -0.19 -0.04 0.00 0.69 0.00 0.00 54.13 54.63 2ka3 s LEU 896 Cb -0.16 -1.56 0.05 0.00 -0.43 0.00 0.00 46.19 44.09 2ka3 s LEU 896 CO 0.00 0.35 0.18 -0.44 -0.29 0.00 0.00 176.35 176.15 2ka3 s SER 897 N -0.74 0.71 0.15 3.68 0.01 -1.23 -4.87 113.70 111.41 2ka3 s SER 897 Ca 0.11 0.36 0.05 0.00 1.31 0.00 0.00 55.95 57.79 2ka3 s SER 897 Cb -0.11 0.35 -0.04 0.00 0.21 0.00 0.00 66.02 66.43 2ka3 s SER 897 CO 0.01 -0.25 0.08 0.00 0.41 0.00 0.00 173.24 173.49 2ka3 s ALA 898 N 2.31 3.44 -0.24 1.44 0.00 -1.26 -3.07 121.76 124.38 2ka3 s ALA 898 Ca 0.03 -1.23 -0.07 0.00 0.00 0.00 0.00 51.96 50.69 2ka3 s ALA 898 Cb -0.12 -1.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.72 2ka3 s ALA 898 CO -0.06 0.54 0.06 0.08 0.00 0.00 0.00 175.76 176.38 2ka3 s VAL 899 N -1.67 4.29 -0.25 0.00 1.01 -1.13 -5.05 120.40 117.60 2ka3 s VAL 899 Ca 0.29 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 61.98 2ka3 s VAL 899 Cb -0.10 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 2ka3 s VAL 899 CO 0.21 0.36 0.20 -0.76 0.00 0.00 0.00 175.10 175.11 2ka3 s LEU 900 N 1.48 4.09 -0.01 3.92 2.01 -1.26 -4.61 118.68 124.30 2ka3 s LEU 900 Ca 0.06 0.12 -0.27 0.00 0.01 0.00 0.00 54.13 54.05 2ka3 s LEU 900 Cb -0.15 -2.16 -0.04 0.00 0.01 0.00 0.00 46.19 43.86 2ka3 s LEU 900 CO 0.03 0.01 0.83 -0.89 1.01 0.00 0.00 176.35 177.35 2ka3 s THR 901 N 1.29 4.87 0.08 5.49 2.01 -1.26 -5.00 115.64 123.13 2ka3 s THR 901 Ca 0.09 1.75 -0.34 0.00 0.31 0.00 0.00 61.69 63.49 2ka3 s THR 901 Cb -0.14 -4.18 -0.17 0.00 0.01 0.00 0.00 72.50 68.02 2ka3 s THR 901 CO 0.07 0.25 1.60 1.23 -0.69 0.00 0.00 174.62 177.07 2ka3 h GLY 902 N 6.45 -1.07 -6.63 4.40 0.00 -2.00 -3.48 103.07 100.73 2ka3 h GLY 902 Ca -0.42 0.46 -0.46 0.00 0.00 0.00 0.00 47.33 46.92 2ka3 h GLY 902 CO 0.74 -0.37 -1.02 1.42 0.00 0.00 0.00 176.54 177.31 2ka3 n HIS 903 N -5.53 -1.83 0.73 5.60 8.25 -1.26 -4.70 115.22 116.48 2ka3 n HIS 903 Ca -0.12 0.74 0.09 0.00 -0.26 0.00 0.00 57.72 58.17 2ka3 n HIS 903 Cb 0.42 -2.50 0.43 0.00 1.12 0.00 0.00 29.99 29.47 2ka3 n HIS 903 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 2ka3 n ARG 904 N -2.51 0.07 0.25 -0.41 1.85 -1.26 -3.52 116.66 111.13 2ka3 n ARG 904 Ca -0.30 0.15 0.16 0.00 -1.00 0.00 0.00 57.85 56.86 2ka3 n ARG 904 Cb 0.64 -1.50 0.57 0.00 -1.05 0.00 0.00 32.46 31.11 2ka3 n ARG 904 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 2ka3 h HIS 905 N 0.00 0.00 0.00 2.89 2.76 -1.89 -3.49 115.15 115.42 2ka3 h HIS 905 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2ka3 h HIS 905 Cb 0.30 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.26 2ka3 h HIS 905 CO 0.00 0.00 0.00 -0.85 -1.30 0.00 0.00 177.93 175.78 2ka3 n GLU 906 N -3.00 0.00 0.00 5.26 0.28 -1.23 -5.14 120.64 116.81 2ka3 n GLU 906 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 2ka3 n GLU 906 Cb 0.35 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.22 2ka3 n GLU 906 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2ka3 n LYS 907 N -0.94 0.00 -3.64 3.44 4.81 -1.26 -4.80 118.16 115.77 2ka3 n LYS 907 Ca 0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.07 2ka3 n LYS 907 Cb 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 34.96 2ka3 n LYS 907 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2ka3 s VAL 908 N -0.17 5.35 -0.20 3.15 1.01 -1.26 -3.35 120.40 124.92 2ka3 s VAL 908 Ca 0.00 0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.18 2ka3 s VAL 908 Cb 0.00 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 2ka3 s VAL 908 CO 0.00 0.34 -0.06 -0.70 0.00 0.00 0.00 175.10 174.68 2ka3 s GLU 909 N 1.03 3.38 -0.13 2.72 2.56 -1.14 -4.35 118.70 122.78 2ka3 s GLU 909 Ca 0.09 -0.63 -0.01 0.00 0.00 0.00 0.00 54.97 54.41 2ka3 s GLU 909 Cb -0.13 -2.93 0.04 0.00 2.00 0.00 0.00 34.13 33.11 2ka3 s GLU 909 CO 0.04 -0.11 -0.02 0.00 -0.56 0.00 0.00 175.26 174.62 2ka3 s ALA 910 N 1.23 1.04 -0.40 6.30 0.00 -1.25 -3.09 121.76 125.58 2ka3 s ALA 910 Ca 0.03 -0.47 -0.24 0.00 0.00 0.00 0.00 51.96 51.27 2ka3 s ALA 910 Cb -0.14 -0.95 0.02 0.00 0.00 0.00 0.00 23.12 22.04 2ka3 s ALA 910 CO -0.02 -0.68 0.83 0.08 0.00 0.00 0.00 175.76 175.97 2ka3 s VAL 911 N 1.83 4.65 0.51 0.00 1.01 -1.25 -3.30 120.40 123.86 2ka3 s VAL 911 Ca 0.03 0.81 -0.23 0.00 0.00 0.00 0.00 61.98 62.59 2ka3 s VAL 911 Cb -0.14 -4.29 -0.06 0.00 0.00 0.00 0.00 36.38 31.89 2ka3 s VAL 911 CO -0.07 -0.57 1.34 -0.76 0.00 0.00 0.00 175.10 175.04 2ka3 s LEU 912 N 3.30 3.93 0.09 3.92 1.43 -0.97 -3.76 118.68 126.62 2ka3 s LEU 912 Ca 0.33 2.72 0.08 0.00 -1.03 0.00 0.00 54.13 56.23 2ka3 s LEU 912 Cb -0.12 -4.20 -0.04 0.00 0.03 0.00 0.00 46.19 41.86 2ka3 s LEU 912 CO 0.20 -1.39 -0.15 -0.94 0.23 0.00 0.00 176.35 174.30 2ka3 s SER 913 N -0.93 4.09 0.22 2.29 1.04 -0.84 -3.77 113.70 115.79 2ka3 s SER 913 Ca 0.68 -0.46 -0.30 0.00 0.48 0.00 0.00 55.95 56.36 2ka3 s SER 913 Cb -0.39 -0.68 -0.08 0.00 0.10 0.00 0.00 66.02 64.96 2ka3 s SER 913 CO 0.47 0.20 0.99 0.00 0.98 0.00 0.00 173.24 175.88 2ka3 s ARG 914 N -2.01 4.76 0.00 4.02 3.03 -1.26 -2.60 118.95 124.89 2ka3 s ARG 914 Ca 0.19 1.57 0.00 0.00 2.03 0.00 0.00 55.73 59.52 2ka3 s ARG 914 Cb -0.11 -3.28 0.00 0.00 -1.03 0.00 0.00 34.95 30.54 2ka3 s ARG 914 CO 0.10 0.36 0.00 0.45 -1.13 0.00 0.00 175.30 175.09 2ka3 n SER 915 N 1.72 0.00 0.00 -2.89 2.88 -1.26 -4.75 113.62 109.31 2ka3 n SER 915 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 2ka3 n SER 915 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 2ka3 n SER 915 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2ka3 n ASN 916 N 0.00 0.00 -1.37 -3.46 3.02 -1.26 -5.16 115.26 107.03 2ka3 n ASN 916 Ca 0.00 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.72 2ka3 n ASN 916 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 2ka3 n ASN 916 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ka3 n GLN 917 N -0.30 -2.85 0.00 3.52 6.02 -1.07 -4.94 117.38 117.76 2ka3 n GLN 917 Ca 0.00 2.10 0.00 0.00 -0.01 0.00 0.00 57.00 59.09 2ka3 n GLN 917 Cb 0.00 -3.45 0.00 0.00 1.02 0.00 0.00 30.24 27.81 2ka3 n GLN 917 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ka3 n GLY 918 N -4.09 3.23 3.03 1.08 0.00 -1.26 -4.75 105.19 102.43 2ka3 n GLY 918 Ca -0.03 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 2ka3 n GLY 918 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ka3 n VAL 919 N 0.00 -9.58 -3.18 1.61 0.31 -1.26 -2.00 118.33 104.23 2ka3 n VAL 919 Ca 0.00 0.52 -0.41 0.00 -0.01 0.00 0.00 64.34 64.44 2ka3 n VAL 919 Cb 0.00 -6.52 -0.07 0.00 -0.91 0.00 0.00 33.84 26.34 2ka3 n VAL 919 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ka3 s ALA 920 N -2.54 3.48 -0.20 3.52 0.00 -1.25 -3.42 121.76 121.35 2ka3 s ALA 920 Ca 0.21 -0.90 0.10 0.00 0.00 0.00 0.00 51.96 51.37 2ka3 s ALA 920 Cb -0.05 -3.08 -0.19 0.00 0.00 0.00 0.00 23.12 19.80 2ka3 s ALA 920 CO 0.79 -1.24 -0.05 2.89 0.00 0.00 0.00 175.76 178.15 2ka3 n ARG 921 N 5.87 0.89 -3.31 0.00 1.85 -1.25 -4.21 116.66 116.51 2ka3 n ARG 921 Ca -0.03 0.05 -0.46 0.00 -1.00 0.00 0.00 57.85 56.41 2ka3 n ARG 921 Cb 0.49 -1.45 -0.01 0.00 -1.05 0.00 0.00 32.46 30.43 2ka3 n ARG 921 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2ka3 s VAL 922 N -2.44 5.67 -0.13 8.89 1.01 -1.26 -4.49 120.40 127.64 2ka3 s VAL 922 Ca -0.18 -2.69 -0.15 0.00 0.00 0.00 0.00 61.98 58.96 2ka3 s VAL 922 Cb 0.06 -4.53 -0.05 0.00 0.00 0.00 0.00 36.38 31.87 2ka3 s VAL 922 CO 0.64 -1.10 0.35 -0.62 0.00 0.00 0.00 175.10 174.37 2ka3 s ASP 923 N 2.01 6.53 -0.12 3.32 2.15 -1.26 -3.88 116.67 125.43 2ka3 s ASP 923 Ca 0.22 0.63 -0.04 0.00 0.43 0.00 0.00 52.55 53.80 2ka3 s ASP 923 Cb -0.10 -2.21 0.06 0.00 -0.30 0.00 0.00 42.92 40.37 2ka3 s ASP 923 CO -0.09 0.10 0.15 -0.55 -0.17 0.00 0.00 175.17 174.62 2ka3 s SER 924 N 0.34 1.17 -0.99 -0.34 0.15 -1.18 -5.05 113.70 107.80 2ka3 s SER 924 Ca 0.20 0.04 -0.12 0.00 0.70 0.00 0.00 55.95 56.77 2ka3 s SER 924 Cb -0.14 0.18 0.23 0.00 -1.71 0.00 0.00 66.02 64.58 2ka3 s SER 924 CO 0.06 -0.28 1.00 -0.83 1.20 0.00 0.00 173.24 174.39 2ka3 s GLY 925 N 2.26 2.84 0.00 9.45 0.00 -1.26 -2.89 107.32 117.72 2ka3 s GLY 925 Ca 0.04 -3.51 0.05 0.00 0.00 0.00 0.00 44.72 41.29 2ka3 s GLY 925 CO -0.07 1.41 1.03 0.61 0.00 0.00 0.00 173.10 176.07 2ka3 n GLY 926 N 3.54 -0.50 0.00 0.20 0.00 -1.21 -5.04 105.19 102.18 2ka3 n GLY 926 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2ka3 n GLY 926 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ka3 n THR 946 N -1.34 0.00 -4.92 2.61 -1.04 -1.26 -3.95 114.28 104.38 2ka3 n THR 946 Ca 0.02 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.76 2ka3 n THR 946 Cb 0.04 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.39 2ka3 n THR 946 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2ka3 s LEU 947 N 0.00 1.93 0.11 -4.42 1.43 -1.26 -4.97 118.68 111.50 2ka3 s LEU 947 Ca 0.00 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 2ka3 s LEU 947 Cb 0.00 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 2ka3 s LEU 947 CO 0.00 0.16 0.03 -0.83 0.23 0.00 0.00 176.35 175.94 2ka3 s GLY 948 N 0.09 0.86 -0.06 -3.19 0.00 -1.26 -5.00 107.32 98.75 2ka3 s GLY 948 Ca -0.06 -1.41 0.04 0.00 0.00 0.00 0.00 44.72 43.29 2ka3 s GLY 948 CO 0.03 -1.36 -0.19 -1.34 0.00 0.00 0.00 173.10 170.24 2ka3 s VAL 949 N -3.99 1.61 0.03 1.40 -7.23 -1.26 -3.79 120.40 107.16 2ka3 s VAL 949 Ca 0.19 -0.79 0.02 0.00 -1.81 0.00 0.00 61.98 59.59 2ka3 s VAL 949 Cb 0.08 -1.39 -0.02 0.00 0.56 0.00 0.00 36.38 35.61 2ka3 s VAL 949 CO -0.01 0.46 -0.06 0.72 -0.31 0.00 0.00 175.10 175.90 2ka3 s PHE 950 N 0.21 0.51 -0.03 2.82 -0.12 -1.26 -5.04 117.98 115.06 2ka3 s PHE 950 Ca -0.10 -0.40 0.00 0.00 -0.05 0.00 0.00 56.93 56.39 2ka3 s PHE 950 Cb -0.14 -0.31 -0.02 0.00 -0.63 0.00 0.00 43.02 41.91 2ka3 s PHE 950 CO 0.04 -0.08 -0.03 0.43 -0.05 0.00 0.00 175.22 175.53 2ka3 n SER 951 N 1.88 3.41 -0.09 1.98 7.64 -1.26 -4.44 113.62 122.74 2ka3 n SER 951 Ca -0.20 -0.01 -0.14 0.00 1.01 0.00 0.00 58.87 59.52 2ka3 n SER 951 Cb 0.56 -0.05 -0.07 0.00 -1.01 0.00 0.00 64.21 63.63 2ka3 n SER 951 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2ka3 h LEU 952 N -0.01 0.00 0.00 -3.43 5.85 -1.94 -3.45 115.31 112.33 2ka3 h LEU 952 Ca -0.07 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.34 2ka3 h LEU 952 Cb 1.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.13 2ka3 h LEU 952 CO -0.01 1.16 0.00 2.30 -0.34 0.00 0.00 178.44 181.54 2ka3 n ILE 953 N -4.52 0.00 -2.83 4.05 -5.35 -1.26 -4.35 119.36 105.09 2ka3 n ILE 953 Ca -0.21 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.27 2ka3 n ILE 953 Cb 0.49 -0.96 0.01 0.00 -1.74 0.00 0.00 39.64 37.44 2ka3 n ILE 953 CO 0.00 0.00 0.00 -1.48 -1.76 0.00 0.00 176.55 173.31 2ka3 s LEU 954 N 0.00 -0.75 -0.95 7.28 -0.00 -1.26 -4.88 118.68 118.12 2ka3 s LEU 954 Ca 0.00 -0.59 -0.24 0.00 -0.00 0.00 0.00 54.13 53.30 2ka3 s LEU 954 Cb 0.00 0.96 -0.01 0.00 -0.00 0.00 0.00 46.19 47.15 2ka3 s LEU 954 CO 0.00 -0.06 1.73 -2.16 -0.00 0.00 0.00 176.35 175.87 2ka3 s PRO 955 N 1.50 3.00 0.06 1.48 0.04 -1.26 -4.94 135.00 134.87 2ka3 s PRO 955 Ca 0.20 -0.65 0.08 0.00 0.04 0.00 0.00 61.00 60.68 2ka3 s PRO 955 Cb 0.04 -5.19 -0.03 0.00 0.04 0.00 0.00 34.50 29.36 2ka3 s PRO 955 CO -0.11 -2.88 -0.23 -0.51 0.04 0.00 0.00 177.00 173.31 2ka3 s LEU 956 N 7.90 2.20 0.33 -3.56 1.02 -1.26 -4.94 118.68 120.37 2ka3 s LEU 956 Ca 0.60 -0.59 -0.03 0.00 0.02 0.00 0.00 54.13 54.13 2ka3 s LEU 956 Cb -0.04 -1.09 -0.04 0.00 0.02 0.00 0.00 46.19 45.04 2ka3 s LEU 956 CO -0.05 0.18 0.57 -1.10 0.02 0.00 0.00 176.35 175.98 2ka3 s GLN 957 N -1.37 3.57 -0.03 1.70 -0.21 -1.26 -5.03 119.66 117.02 2ka3 s GLN 957 Ca 0.09 -0.11 -0.30 0.00 0.02 0.00 0.00 55.36 55.07 2ka3 s GLN 957 Cb -0.09 -2.63 -0.05 0.00 1.00 0.00 0.00 33.01 31.24 2ka3 s GLN 957 CO 0.03 0.15 1.40 0.00 -2.12 0.00 0.00 175.29 174.74 2ka3 s ALA 958 N -2.23 3.59 0.00 6.09 0.00 -1.26 -3.11 121.76 124.83 2ka3 s ALA 958 Ca 0.43 0.81 0.00 0.00 0.00 0.00 0.00 51.96 53.19 2ka3 s ALA 958 Cb -0.10 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2ka3 s ALA 958 CO 0.34 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.51 2ka3 n GLY 959 N 3.68 1.63 3.68 0.00 0.00 -0.96 -5.05 105.19 108.17 2ka3 n GLY 959 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2ka3 n GLY 959 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ka3 s ASP 960 N -2.06 1.75 -0.05 1.61 1.11 -1.18 -4.80 116.67 113.05 2ka3 s ASP 960 Ca 0.00 0.66 -0.02 0.00 0.18 0.00 0.00 52.55 53.37 2ka3 s ASP 960 Cb 0.00 -0.94 0.04 0.00 1.07 0.00 0.00 42.92 43.08 2ka3 s ASP 960 CO 0.00 -3.61 0.09 -0.89 1.18 0.00 0.00 175.17 171.94 2ka3 s THR 961 N -3.19 -0.09 0.15 -1.27 2.01 -1.26 -3.95 115.64 108.04 2ka3 s THR 961 Ca 0.70 0.26 -0.06 0.00 0.31 0.00 0.00 61.69 62.90 2ka3 s THR 961 Cb -0.10 -0.18 -0.06 0.00 0.01 0.00 0.00 72.50 72.17 2ka3 s THR 961 CO 0.55 0.11 0.40 0.68 -0.69 0.00 0.00 174.62 175.67 2ka3 s VAL 962 N 1.44 5.14 -0.01 3.82 -7.23 -1.22 -4.41 120.40 117.93 2ka3 s VAL 962 Ca -0.05 0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.22 2ka3 s VAL 962 Cb -0.12 -3.62 0.01 0.00 0.56 0.00 0.00 36.38 33.20 2ka3 s VAL 962 CO -0.04 0.04 0.00 0.00 -0.31 0.00 0.00 175.10 174.78 2ka3 s VAL 964 N 0.29 5.21 -0.15 0.00 1.01 -1.26 -2.28 120.40 123.21 2ka3 s VAL 964 Ca -0.02 0.86 -0.04 0.00 0.00 0.00 0.00 61.98 62.78 2ka3 s VAL 964 Cb -0.04 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 2ka3 s VAL 964 CO -0.01 0.32 -0.02 -0.62 0.00 0.00 0.00 175.10 174.77 2ka3 s ASP 965 N 0.67 4.92 -0.54 3.32 -1.08 -1.21 -4.93 116.67 117.83 2ka3 s ASP 965 Ca 0.24 -0.08 0.05 0.00 -0.52 0.00 0.00 52.55 52.23 2ka3 s ASP 965 Cb -0.15 -1.76 0.19 0.00 -1.46 0.00 0.00 42.92 39.74 2ka3 s ASP 965 CO 0.09 0.19 0.46 -0.11 0.52 0.00 0.00 175.17 176.32 2ka3 n LEU 966 N 3.38 1.25 -3.15 -1.34 0.00 -1.26 -3.91 117.00 111.97 2ka3 n LEU 966 Ca -0.17 -4.81 0.04 0.00 0.00 0.00 0.00 56.01 51.06 2ka3 n LEU 966 Cb 0.53 -0.02 -0.00 0.00 0.00 0.00 0.00 43.42 43.92 2ka3 n LEU 966 CO 0.33 1.87 0.14 -0.69 0.00 0.00 0.00 177.39 179.04 2ka3 s VAL 967 N -0.89 -0.94 -0.46 1.96 1.01 -1.26 -5.06 120.40 114.77 2ka3 s VAL 967 Ca 0.31 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.36 2ka3 s VAL 967 Cb 0.04 -0.95 0.23 0.00 0.00 0.00 0.00 36.38 35.70 2ka3 s VAL 967 CO -0.16 0.00 0.71 0.23 0.00 0.00 0.00 175.10 175.88 2ka3 n MET 968 N 5.40 0.67 0.00 2.72 2.81 -1.26 -5.06 117.12 122.40 2ka3 n MET 968 Ca 0.05 -2.35 0.00 0.00 -1.81 0.00 0.00 57.70 53.59 2ka3 n MET 968 Cb 0.54 -1.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.64 2ka3 n MET 968 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ka3 n GLY 969 N 1.88 3.34 0.01 3.03 0.00 -1.26 -4.25 105.19 107.94 2ka3 n GLY 969 Ca 0.16 -1.74 -0.01 0.00 0.00 0.00 0.00 46.02 44.43 2ka3 n GLY 969 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ka3 n GLN 970 N -0.80 3.08 -3.05 1.61 7.27 -1.26 -4.81 117.38 119.42 2ka3 n GLN 970 Ca 0.00 -0.01 -0.45 0.00 0.07 0.00 0.00 57.00 56.62 2ka3 n GLN 970 Cb 0.00 -1.08 -0.02 0.00 2.41 0.00 0.00 30.24 31.56 2ka3 n GLN 970 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 2ka3 s LEU 971 N -4.10 5.51 0.00 1.69 2.96 -1.26 -4.91 118.68 118.57 2ka3 s LEU 971 Ca -0.01 -2.57 0.00 0.00 -0.22 0.00 0.00 54.13 51.33 2ka3 s LEU 971 Cb 0.01 -2.34 0.00 0.00 0.50 0.00 0.00 46.19 44.36 2ka3 s LEU 971 CO 0.13 -0.81 0.00 0.00 -1.32 0.00 0.00 176.35 174.35 2ka3 n ALA 972 N 5.44 0.00 -2.37 5.97 0.00 -1.26 -5.15 120.51 123.13 2ka3 n ALA 972 Ca 0.25 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.50 2ka3 n ALA 972 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.81 2ka3 n ALA 972 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2ka3 s HIS 973 N -1.20 1.83 -0.10 0.00 2.46 -1.26 -5.13 115.29 111.88 2ka3 s HIS 973 Ca 0.00 -0.53 -0.16 0.00 0.47 0.00 0.00 55.06 54.83 2ka3 s HIS 973 Cb 0.00 -0.84 -0.05 0.00 -0.13 0.00 0.00 32.58 31.56 2ka3 s HIS 973 CO 0.00 0.42 0.42 0.45 -2.47 0.00 0.00 174.74 173.56 2ka3 s SER 974 N -3.36 6.65 -0.04 9.88 0.15 -1.26 -5.06 113.70 120.66 2ka3 s SER 974 Ca 0.24 0.77 -0.27 0.00 0.70 0.00 0.00 55.95 57.39 2ka3 s SER 974 Cb -0.01 -2.25 0.06 0.00 -1.71 0.00 0.00 66.02 62.10 2ka3 s SER 974 CO 0.09 0.09 0.59 -0.70 1.20 0.00 0.00 173.24 174.51 2ka3 s GLU 975 N 0.24 0.97 -0.20 5.44 -6.30 -1.26 -5.15 118.70 112.44 2ka3 s GLU 975 Ca 0.23 0.15 0.00 0.00 -2.50 0.00 0.00 54.97 52.86 2ka3 s GLU 975 Cb -0.15 0.45 0.05 0.00 0.00 0.00 0.00 34.13 34.48 2ka3 s GLU 975 CO 0.09 -0.30 -0.07 -1.83 0.02 0.00 0.00 175.26 173.17 2ka3 s GLU 976 N -1.23 1.73 0.50 4.30 4.04 -1.26 -5.14 118.70 121.65 2ka3 s GLU 976 Ca -0.12 -0.77 0.06 0.00 0.04 0.00 0.00 54.97 54.18 2ka3 s GLU 976 Cb -0.01 -2.33 0.04 0.00 0.02 0.00 0.00 34.13 31.84 2ka3 s GLU 976 CO 0.09 -0.47 0.69 -1.25 -1.84 0.00 0.00 175.26 172.47 2ka3 s PRO 977 N 1.47 2.57 -0.03 -4.83 0.04 -1.26 -5.12 135.00 127.85 2ka3 s PRO 977 Ca -0.02 -1.22 0.06 0.00 0.04 0.00 0.00 61.00 59.87 2ka3 s PRO 977 Cb -0.17 -2.65 -0.02 0.00 0.04 0.00 0.00 34.50 31.70 2ka3 s PRO 977 CO -0.08 -0.58 -0.20 -0.51 0.04 0.00 0.00 177.00 175.68 2ka3 s LEU 978 N -4.56 2.39 -0.00 -3.56 1.02 -1.26 -5.07 118.68 107.64 2ka3 s LEU 978 Ca 0.58 -0.35 -0.01 0.00 0.02 0.00 0.00 54.13 54.37 2ka3 s LEU 978 Cb -0.09 -1.44 -0.00 0.00 0.02 0.00 0.00 46.19 44.67 2ka3 s LEU 978 CO 0.36 0.33 0.01 0.42 0.02 0.00 0.00 176.35 177.49 2ka3 s THR 979 N -0.69 0.02 -0.11 5.49 -4.23 -1.26 -4.88 115.64 109.99 2ka3 s THR 979 Ca 0.11 -0.20 0.03 0.00 -1.18 0.00 0.00 61.69 60.45 2ka3 s THR 979 Cb -0.10 -0.09 -0.00 0.00 1.34 0.00 0.00 72.50 73.65 2ka3 s THR 979 CO 0.00 -0.11 -0.22 -0.63 -0.54 0.00 0.00 174.62 173.13 2ka3 s ILE 980 N -0.32 2.26 -0.26 2.99 -1.09 -1.26 -4.35 121.20 119.16 2ka3 s ILE 980 Ca -0.04 -0.94 0.01 0.00 -2.23 0.00 0.00 60.65 57.45 2ka3 s ILE 980 Cb -0.02 -1.88 0.07 0.00 -1.58 0.00 0.00 42.46 39.04 2ka3 s ILE 980 CO -0.00 0.55 -0.01 0.12 -1.23 0.00 0.00 174.94 174.37 2ka3 s PHE 981 N 0.39 2.50 0.27 3.97 2.19 -1.22 -2.82 117.98 123.27 2ka3 s PHE 981 Ca -0.16 -1.95 0.05 0.00 0.33 0.00 0.00 56.93 55.20 2ka3 s PHE 981 Cb -0.17 -1.81 -0.03 0.00 -1.31 0.00 0.00 43.02 39.70 2ka3 s PHE 981 CO 0.07 -0.82 0.40 -1.54 1.83 0.00 0.00 175.22 175.16 2ka3 s SER 982 N 1.35 6.27 -0.30 6.13 1.04 -1.17 -2.12 113.70 124.89 2ka3 s SER 982 Ca -0.01 0.08 -0.16 0.00 0.48 0.00 0.00 55.95 56.34 2ka3 s SER 982 Cb -0.19 -1.79 0.17 0.00 0.10 0.00 0.00 66.02 64.32 2ka3 s SER 982 CO -0.09 -0.15 1.16 -0.83 0.98 0.00 0.00 173.24 174.31 2ka3 s GLY 983 N -4.01 -0.28 0.11 7.32 0.00 -0.90 -3.58 107.32 105.98 2ka3 s GLY 983 Ca 0.36 2.90 0.11 0.00 0.00 0.00 0.00 44.72 48.09 2ka3 s GLY 983 CO 0.30 3.97 -0.27 0.00 0.00 0.00 0.00 173.10 177.10 2ka3 s ALA 984 N 2.98 2.35 -0.06 3.20 0.00 -1.03 -2.75 121.76 126.46 2ka3 s ALA 984 Ca -0.01 -1.43 -0.30 0.00 0.00 0.00 0.00 51.96 50.22 2ka3 s ALA 984 Cb -0.08 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 2ka3 s ALA 984 CO -0.11 0.54 1.34 -1.17 0.00 0.00 0.00 175.76 176.36 2ka3 s LEU 985 N -1.88 4.27 -0.20 0.00 2.96 -1.25 -2.77 118.68 119.81 2ka3 s LEU 985 Ca 0.14 1.94 -0.17 0.00 -0.22 0.00 0.00 54.13 55.82 2ka3 s LEU 985 Cb -0.10 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 42.97 2ka3 s LEU 985 CO 0.05 -0.71 -0.35 -0.11 -1.32 0.00 0.00 176.35 173.91 2ka3 n LEU 986 N 5.81 1.94 -3.94 -0.68 7.94 -1.22 -4.97 117.00 121.89 2ka3 n LEU 986 Ca 0.13 0.33 -0.22 0.00 -1.11 0.00 0.00 56.01 55.14 2ka3 n LEU 986 Cb 0.45 -0.76 -0.17 0.00 0.53 0.00 0.00 43.42 43.47 2ka3 n LEU 986 CO 0.57 -0.09 -0.43 -0.47 -1.11 0.00 0.00 177.39 175.86 2ka3 s TYR 987 N -2.82 1.08 -0.15 1.96 5.04 -0.87 -5.04 117.35 116.55 2ka3 s TYR 987 Ca -0.31 -0.38 -0.14 0.00 -2.44 0.00 0.00 57.07 53.81 2ka3 s TYR 987 Cb 0.06 -0.87 -0.05 0.00 0.35 0.00 0.00 41.96 41.46 2ka3 s TYR 987 CO 0.44 -0.25 0.29 0.20 -1.34 0.00 0.00 175.55 174.89 2ka3 s GLY 988 N 0.92 2.22 0.18 8.97 0.00 -1.26 -1.74 107.32 116.61 2ka3 s GLY 988 Ca -0.11 -0.45 -0.30 0.00 0.00 0.00 0.00 44.72 43.86 2ka3 s GLY 988 CO 0.01 0.41 1.32 0.99 0.00 0.00 0.00 173.10 175.83 2ka3 s ASP 989 N 0.40 6.88 -0.91 1.64 1.01 -1.24 -4.94 116.67 119.51 2ka3 s ASP 989 Ca 0.17 2.39 -0.06 0.00 0.71 0.00 0.00 52.55 55.76 2ka3 s ASP 989 Cb -0.13 -2.61 0.23 0.00 1.01 0.00 0.00 42.92 41.42 2ka3 s ASP 989 CO 0.04 -0.55 0.83 -2.16 0.21 0.00 0.00 175.17 173.54 2ka3 s PRO 990 N 0.11 3.51 0.00 8.23 0.04 -1.26 -4.84 135.00 140.79 2ka3 s PRO 990 Ca 0.58 -3.04 0.00 0.00 0.04 0.00 0.00 61.00 58.58 2ka3 s PRO 990 Cb -0.37 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.00 2ka3 s PRO 990 CO 0.37 -1.25 0.00 0.39 0.04 0.00 0.00 177.00 176.55 2ka3 n GLU 991 N 2.83 0.00 -4.09 4.56 1.02 -1.26 -4.81 120.64 118.89 2ka3 n GLU 991 Ca 0.19 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.99 2ka3 n GLU 991 Cb 0.39 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.81 2ka3 n GLU 991 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2ka3 n LEU 992 N 0.00 -2.07 -4.43 -4.62 4.77 -1.26 -4.99 117.00 104.40 2ka3 n LEU 992 Ca 0.00 -0.91 -0.33 0.00 -0.03 0.00 0.00 56.01 54.73 2ka3 n LEU 992 Cb 0.00 -2.29 -0.13 0.00 -2.33 0.00 0.00 43.42 38.67 2ka3 n LEU 992 CO 0.00 0.37 -0.41 -1.61 -1.33 0.00 0.00 177.39 174.41 2ka3 s GLU 993 N -6.80 3.46 -0.23 3.23 2.02 -1.26 -5.08 118.70 114.04 2ka3 s GLU 993 Ca 0.70 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 55.08 2ka3 s GLU 993 Cb -0.37 -2.73 0.06 0.00 0.10 0.00 0.00 34.13 31.19 2ka3 s GLU 993 CO 0.89 0.25 -0.04 -1.01 0.02 0.00 0.00 175.26 175.37 2ka3 s HIS 994 N 0.29 2.14 0.00 1.61 3.76 -1.26 -5.26 115.29 116.57 2ka3 s HIS 994 Ca -0.07 -1.58 0.00 0.00 -0.15 0.00 0.00 55.06 53.25 2ka3 s HIS 994 Cb -0.15 -1.48 0.00 0.00 1.11 0.00 0.00 32.58 32.06 2ka3 s HIS 994 CO 0.04 -0.74 0.00 0.00 -0.85 0.00 0.00 174.74 173.19