#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 1.32 -0.19 0.52 1.01 -1.26 -5.01 120.40 116.78 2ka3 s VAL 847 Ca 0.00 -0.50 0.20 0.00 0.00 0.00 0.00 61.98 61.68 2ka3 s VAL 847 Cb 0.00 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 2ka3 s VAL 847 CO 0.00 0.39 0.97 1.55 0.00 0.00 0.00 175.10 178.01 2ka3 h PRO 848 N 8.11 0.00 -6.51 2.72 0.13 -2.00 -3.49 132.00 130.96 2ka3 h PRO 848 Ca -0.34 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.37 2ka3 h PRO 848 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2ka3 h PRO 848 CO 0.47 0.11 -0.95 0.94 -0.23 0.00 0.00 178.00 178.34 2ka3 n GLN 849 N -2.77 -1.31 -5.19 0.86 7.27 -1.26 -5.00 117.38 109.99 2ka3 n GLN 849 Ca -0.04 0.63 -0.32 0.00 0.07 0.00 0.00 57.00 57.35 2ka3 n GLN 849 Cb 0.66 -1.87 -0.16 0.00 2.41 0.00 0.00 30.24 31.28 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 -2.84 2.29 0.12 1.69 1.01 -1.26 -5.04 120.40 116.37 2ka3 s VAL 850 Ca 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.01 2ka3 s VAL 850 Cb -0.00 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 2ka3 s VAL 850 CO 0.76 0.57 -0.06 0.00 0.00 0.00 0.00 175.10 176.37 2ka3 s ALA 851 N -0.37 1.14 -0.12 5.51 0.00 -1.26 -3.82 121.76 122.83 2ka3 s ALA 851 Ca 0.03 -1.42 -0.12 0.00 0.00 0.00 0.00 51.96 50.45 2ka3 s ALA 851 Cb -0.12 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.23 2ka3 s ALA 851 CO 0.02 -0.22 0.33 -0.59 0.00 0.00 0.00 175.76 175.30 2ka3 s PHE 852 N -3.57 -0.36 -0.30 0.00 -0.71 -1.14 -3.65 117.98 108.25 2ka3 s PHE 852 Ca 0.15 0.89 -0.13 0.00 -1.04 0.00 0.00 56.93 56.80 2ka3 s PHE 852 Cb 0.05 0.13 0.17 0.00 -1.21 0.00 0.00 43.02 42.15 2ka3 s PHE 852 CO -0.02 -0.18 0.95 0.45 -1.34 0.00 0.00 175.22 175.08 2ka3 s SER 853 N 0.15 -0.65 0.16 1.98 0.15 0.11 -2.13 113.70 113.47 2ka3 s SER 853 Ca -0.00 0.71 0.10 0.00 0.70 0.00 0.00 55.95 57.45 2ka3 s SER 853 Cb -0.02 1.67 -0.04 0.00 -1.71 0.00 0.00 66.02 65.91 2ka3 s SER 853 CO 0.01 -0.12 -0.22 0.00 1.20 0.00 0.00 173.24 174.11 2ka3 s ALA 854 N 2.63 2.16 0.06 5.45 0.00 -0.93 -1.93 121.76 129.21 2ka3 s ALA 854 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.48 2ka3 s ALA 854 Cb -0.08 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 2ka3 s ALA 854 CO -0.16 0.36 -0.04 0.00 0.00 0.00 0.00 175.76 175.91 2ka3 s ALA 855 N -1.63 0.58 -0.05 0.00 0.00 -0.24 -3.35 121.76 117.07 2ka3 s ALA 855 Ca 0.15 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 51.00 2ka3 s ALA 855 Cb -0.08 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.27 2ka3 s ALA 855 CO 0.07 -0.28 -0.08 -1.17 0.00 0.00 0.00 175.76 174.30 2ka3 s LEU 856 N -2.64 1.54 0.00 0.00 1.98 -1.26 -2.14 118.68 116.16 2ka3 s LEU 856 Ca 0.04 -0.20 0.00 0.00 -2.89 0.00 0.00 54.13 51.07 2ka3 s LEU 856 Cb 0.03 -0.61 0.00 0.00 0.66 0.00 0.00 46.19 46.27 2ka3 s LEU 856 CO -0.07 0.00 0.00 -1.20 -1.89 0.00 0.00 176.35 173.20 2ka3 n SER 857 N 3.81 0.00 -1.90 3.68 7.64 -1.26 -4.89 113.62 120.70 2ka3 n SER 857 Ca -0.23 -0.95 -0.18 0.00 1.01 0.00 0.00 58.87 58.52 2ka3 n SER 857 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2ka3 n SER 857 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ka3 n LEU 858 N 0.00 -1.57 0.02 -3.43 -0.00 -1.26 -4.95 117.00 105.82 2ka3 n LEU 858 Ca 0.00 0.31 -0.20 0.00 -0.00 0.00 0.00 56.01 56.12 2ka3 n LEU 858 Cb 0.44 -0.38 -0.14 0.00 -0.00 0.00 0.00 43.42 43.34 2ka3 n LEU 858 CO 0.00 -2.09 -0.03 1.55 -0.00 0.00 0.00 177.39 176.83 2ka3 h PRO 859 N 0.03 0.25 -2.79 1.47 0.13 -2.07 -3.49 132.00 125.52 2ka3 h PRO 859 Ca -0.18 -0.42 0.08 0.00 -0.87 0.00 0.00 66.00 64.61 2ka3 h PRO 859 Cb 0.65 0.16 -0.04 0.00 0.13 0.00 0.00 31.00 31.90 2ka3 h PRO 859 CO 0.19 1.20 0.35 -0.98 -0.23 0.00 0.00 178.00 178.53 2ka3 s ARG 860 N -2.41 1.74 0.00 0.86 1.70 -1.26 -5.14 118.95 114.43 2ka3 s ARG 860 Ca -0.16 -1.04 0.00 0.00 -0.47 0.00 0.00 55.73 54.06 2ka3 s ARG 860 Cb 0.01 0.54 0.00 0.00 -0.57 0.00 0.00 34.95 34.93 2ka3 s ARG 860 CO 0.80 -0.81 0.00 0.43 -1.08 0.00 0.00 175.30 174.64 2ka3 n SER 861 N -0.87 0.00 -4.88 -2.89 7.64 -1.26 -4.98 113.62 106.39 2ka3 n SER 861 Ca -0.06 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.62 2ka3 n SER 861 Cb 0.60 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.77 2ka3 n SER 861 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2ka3 s GLU 862 N 0.00 2.85 0.25 1.43 2.02 -1.26 -5.03 118.70 118.96 2ka3 s GLU 862 Ca 0.00 -1.20 0.26 0.00 0.02 0.00 0.00 54.97 54.05 2ka3 s GLU 862 Cb 0.00 -2.57 0.78 0.00 0.10 0.00 0.00 34.13 32.44 2ka3 s GLU 862 CO 0.00 0.13 1.75 -1.00 0.02 0.00 0.00 175.26 176.16 2ka3 h PRO 863 N 1.20 0.00 0.00 0.39 0.13 -2.08 -3.49 132.00 128.15 2ka3 h PRO 863 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2ka3 h PRO 863 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2ka3 h PRO 863 CO 0.58 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.76 2ka3 n GLY 864 N 1.12 2.05 3.76 1.56 0.00 -1.26 -5.16 105.19 107.26 2ka3 n GLY 864 Ca 0.05 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 0.50 2.35 -0.07 2.61 2.01 -1.26 -4.96 115.64 116.81 2ka3 s THR 865 Ca 0.00 0.27 -0.29 0.00 0.31 0.00 0.00 61.69 61.98 2ka3 s THR 865 Cb 0.00 -3.14 -0.02 0.00 0.01 0.00 0.00 72.50 69.35 2ka3 s THR 865 CO 0.00 0.01 0.97 -0.69 -0.69 0.00 0.00 174.62 174.22 2ka3 s VAL 866 N -1.33 4.83 0.00 3.82 1.01 -1.26 -5.06 120.40 122.41 2ka3 s VAL 866 Ca 0.67 1.99 0.00 0.00 0.00 0.00 0.00 61.98 64.63 2ka3 s VAL 866 Cb -0.38 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.71 2ka3 s VAL 866 CO 0.47 0.07 0.00 -0.81 0.00 0.00 0.00 175.10 174.83 2ka3 n PRO 867 N 4.58 3.84 -3.73 2.72 -0.04 -1.26 -4.65 135.00 136.46 2ka3 n PRO 867 Ca 0.07 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.41 2ka3 n PRO 867 Cb 0.50 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.84 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 2.71 -0.43 -0.08 0.54 -0.71 -1.26 -4.82 117.98 113.92 2ka3 s PHE 868 Ca 0.00 0.99 0.03 0.00 -1.04 0.00 0.00 56.93 56.90 2ka3 s PHE 868 Cb 0.00 0.15 -0.03 0.00 -1.21 0.00 0.00 43.02 41.93 2ka3 s PHE 868 CO 0.00 -0.24 0.09 -0.40 -1.34 0.00 0.00 175.22 173.33 2ka3 n ASP 869 N 3.67 1.57 -4.33 1.98 5.75 -1.18 -4.89 116.55 119.12 2ka3 n ASP 869 Ca -0.19 -0.37 -0.46 0.00 -0.01 0.00 0.00 54.79 53.75 2ka3 n ASP 869 Cb 0.56 1.04 -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 -1.57 3.80 -0.70 0.11 1.81 -0.91 -4.99 118.95 116.51 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 0.02 -4.47 -0.01 0.00 -0.45 0.00 0.00 34.95 30.04 2ka3 s ARG 870 CO 0.11 -1.27 1.77 0.08 -0.68 0.00 0.00 175.30 175.31 2ka3 s VAL 871 N -0.32 3.45 -0.07 3.52 1.01 -1.26 -1.08 120.40 125.65 2ka3 s VAL 871 Ca 0.22 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.27 2ka3 s VAL 871 Cb -0.10 -4.15 -0.27 0.00 0.00 0.00 0.00 36.38 31.87 2ka3 s VAL 871 CO -0.09 -1.11 0.58 -0.07 0.00 0.00 0.00 175.10 174.41 2ka3 h LEU 872 N 16.00 0.36 -6.95 3.92 3.38 -1.76 -3.46 115.31 126.81 2ka3 h LEU 872 Ca -0.18 -0.68 0.09 0.00 0.09 0.00 0.00 57.88 57.20 2ka3 h LEU 872 Cb 1.11 -0.12 -0.25 0.00 0.09 0.00 0.00 40.66 41.50 2ka3 h LEU 872 CO 1.24 1.60 0.24 -0.22 0.09 0.00 0.00 178.44 181.38 2ka3 s LEU 873 N -6.89 -0.67 -0.31 1.67 2.96 -1.23 -5.01 118.68 109.21 2ka3 s LEU 873 Ca -0.15 1.04 0.03 0.00 -0.22 0.00 0.00 54.13 54.83 2ka3 s LEU 873 Cb 0.07 1.94 0.32 0.00 0.50 0.00 0.00 46.19 49.02 2ka3 s LEU 873 CO 0.81 -0.16 1.41 -3.20 -1.32 0.00 0.00 176.35 173.89 2ka3 n ASN 874 N 4.11 -1.12 -0.20 3.68 2.85 -1.24 -0.71 115.26 122.63 2ka3 n ASN 874 Ca -0.18 -1.68 -0.05 0.00 -0.11 0.00 0.00 54.58 52.56 2ka3 n ASN 874 Cb 0.57 1.01 0.04 0.00 1.24 0.00 0.00 39.78 42.64 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 2.24 0.62 0.34 1.20 2.03 -1.97 -3.22 116.42 117.66 2ka3 h ASP 875 Ca -0.32 -0.01 -0.32 0.00 -0.73 0.00 0.00 57.03 55.65 2ka3 h ASP 875 Cb 1.23 -0.14 -0.05 0.00 -0.83 0.00 0.00 39.33 39.53 2ka3 h ASP 875 CO -0.05 0.44 -1.90 0.61 -1.03 0.00 0.00 179.24 177.31 2ka3 n GLY 876 N -1.26 -0.94 0.00 7.15 0.00 -1.26 -5.01 105.19 103.88 2ka3 n GLY 876 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 1.66 2.64 5.28 -0.02 0.00 -1.22 -5.00 105.19 108.54 2ka3 n GLY 877 Ca -0.22 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 -4.70 117.16 113.39 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 3.25 -0.30 -0.72 1.13 -1.26 -4.18 117.35 115.27 2ka3 s TYR 879 Ca 0.00 0.38 -0.29 0.00 -1.41 0.00 0.00 57.07 55.75 2ka3 s TYR 879 Cb 0.00 -2.53 0.02 0.00 -1.10 0.00 0.00 41.96 38.34 2ka3 s TYR 879 CO 0.00 -0.19 1.07 -0.51 -2.51 0.00 0.00 175.55 173.40 2ka3 s ASP 880 N 1.60 6.97 0.00 -0.18 1.11 -1.11 -4.93 116.67 120.13 2ka3 s ASP 880 Ca 0.14 1.12 0.21 0.00 0.18 0.00 0.00 52.55 54.19 2ka3 s ASP 880 Cb -0.16 -2.54 0.56 0.00 1.07 0.00 0.00 42.92 41.86 2ka3 s ASP 880 CO 0.10 -0.83 1.46 -0.81 1.18 0.00 0.00 175.17 176.26 2ka3 n PRO 881 N 6.75 2.11 0.02 8.23 -0.04 -1.26 -0.36 135.00 150.45 2ka3 n PRO 881 Ca 0.12 -1.68 -0.19 0.00 -0.04 0.00 0.00 63.50 61.71 2ka3 n PRO 881 Cb 0.47 -1.44 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 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 3.22 0.24 0.00 0.54 5.08 -1.92 -3.33 114.58 118.41 2ka3 h GLU 882 Ca 0.00 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 2ka3 h GLU 882 Cb 0.71 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2ka3 h GLU 882 CO 0.00 1.20 -1.02 0.25 -1.00 0.00 0.00 179.01 178.43 2ka3 n THR 883 N -4.21 0.00 -1.30 1.13 -2.24 -1.25 -4.96 114.28 101.44 2ka3 n THR 883 Ca -0.14 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2ka3 n THR 883 Cb 0.76 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 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 1.45 0.67 3.35 3.38 0.00 0.52 -4.64 105.19 109.91 2ka3 n GLY 884 Ca 0.01 -0.74 -0.44 0.00 0.00 0.00 0.00 46.02 44.84 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 5.07 -0.37 1.61 1.01 -0.71 -4.20 120.40 120.82 2ka3 s VAL 885 Ca 0.00 -1.22 -0.13 0.00 0.00 0.00 0.00 61.98 60.64 2ka3 s VAL 885 Cb 0.00 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 32.29 2ka3 s VAL 885 CO 0.00 -0.64 0.24 0.12 0.00 0.00 0.00 175.10 174.83 2ka3 s PHE 886 N 1.60 3.23 -0.43 5.22 2.19 -1.23 -2.74 117.98 125.82 2ka3 s PHE 886 Ca 0.04 -0.55 -0.15 0.00 0.33 0.00 0.00 56.93 56.60 2ka3 s PHE 886 Cb -0.25 -2.49 0.04 0.00 -1.31 0.00 0.00 43.02 39.00 2ka3 s PHE 886 CO 0.05 -0.51 0.32 0.99 1.83 0.00 0.00 175.22 177.90 2ka3 s THR 887 N 1.66 5.18 -0.42 0.12 2.01 -1.26 -3.56 115.64 119.37 2ka3 s THR 887 Ca 0.05 -0.82 -0.21 0.00 0.31 0.00 0.00 61.69 61.02 2ka3 s THR 887 Cb -0.18 -3.96 0.02 0.00 0.01 0.00 0.00 72.50 68.39 2ka3 s THR 887 CO 0.09 -0.39 0.69 0.00 -0.69 0.00 0.00 174.62 174.32 2ka3 s ALA 888 N 1.65 3.36 -2.61 7.40 0.00 -1.26 -4.70 121.76 125.60 2ka3 s ALA 888 Ca 0.04 -1.05 0.25 0.00 0.00 0.00 0.00 51.96 51.20 2ka3 s ALA 888 Cb -0.21 -3.33 0.65 0.00 0.00 0.00 0.00 23.12 20.23 2ka3 s ALA 888 CO 0.09 -1.72 1.51 -0.35 0.00 0.00 0.00 175.76 175.29 2ka3 n PRO 889 N 6.36 2.00 -0.05 0.00 -0.04 -1.26 -2.28 135.00 139.72 2ka3 n PRO 889 Ca -0.00 -1.47 -0.08 0.00 -0.04 0.00 0.00 63.50 61.91 2ka3 n PRO 889 Cb 0.48 -1.46 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 2ka3 n PRO 889 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2ka3 h LEU 890 N 3.34 -0.20 -1.93 1.53 3.38 -1.96 -3.48 115.31 115.99 2ka3 h LEU 890 Ca 0.00 0.07 -0.34 0.00 0.09 0.00 0.00 57.88 57.70 2ka3 h LEU 890 Cb 0.72 0.14 0.15 0.00 0.09 0.00 0.00 40.66 41.75 2ka3 h LEU 890 CO 0.00 -0.07 -0.81 0.00 0.09 0.00 0.00 178.44 177.65 2ka3 n ALA 891 N -2.44 -2.15 -3.00 1.53 0.00 -1.26 -4.78 120.51 108.42 2ka3 n ALA 891 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2ka3 n ALA 891 Cb 0.14 -3.13 0.00 0.00 0.00 0.00 0.00 19.45 16.46 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 -1.27 1.66 3.63 0.00 0.00 -1.26 -3.70 105.19 104.24 2ka3 n GLY 892 Ca -0.24 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.19 4.08 0.29 1.61 3.52 -0.47 -4.95 118.95 121.84 2ka3 s ARG 893 Ca 0.00 0.20 0.10 0.00 -0.13 0.00 0.00 55.73 55.90 2ka3 s ARG 893 Cb 0.00 -3.62 -0.05 0.00 -1.56 0.00 0.00 34.95 29.72 2ka3 s ARG 893 CO 0.00 -0.24 -0.04 1.52 -0.81 0.00 0.00 175.30 175.73 2ka3 s TYR 894 N 1.96 2.57 -0.29 5.12 -0.85 -1.26 -1.51 117.35 123.08 2ka3 s TYR 894 Ca 0.19 -0.30 -0.09 0.00 -0.52 0.00 0.00 57.07 56.34 2ka3 s TYR 894 Cb -0.15 -1.23 -0.01 0.00 0.38 0.00 0.00 41.96 40.94 2ka3 s TYR 894 CO 0.09 0.60 0.13 -1.17 -1.52 0.00 0.00 175.55 173.68 2ka3 s LEU 895 N -3.65 3.93 -0.09 -3.49 2.96 -0.62 -4.76 118.68 112.95 2ka3 s LEU 895 Ca 0.32 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 53.80 2ka3 s LEU 895 Cb -0.04 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 2ka3 s LEU 895 CO 0.19 -0.15 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.80 2ka3 s LEU 896 N 1.62 3.26 -0.13 -0.68 0.20 -1.26 -1.97 118.68 119.72 2ka3 s LEU 896 Ca 0.05 -0.02 -0.04 0.00 0.69 0.00 0.00 54.13 54.81 2ka3 s LEU 896 Cb -0.17 -1.74 0.07 0.00 -0.43 0.00 0.00 46.19 43.92 2ka3 s LEU 896 CO 0.06 0.32 0.25 -0.44 -0.29 0.00 0.00 176.35 176.24 2ka3 s SER 897 N -0.52 0.49 0.14 3.68 0.01 -1.23 -4.86 113.70 111.42 2ka3 s SER 897 Ca 0.08 0.48 0.05 0.00 1.31 0.00 0.00 55.95 57.87 2ka3 s SER 897 Cb -0.12 0.63 -0.04 0.00 0.21 0.00 0.00 66.02 66.70 2ka3 s SER 897 CO 0.02 -0.25 0.08 0.00 0.41 0.00 0.00 173.24 173.50 2ka3 s ALA 898 N 2.40 3.46 -0.24 1.44 0.00 -1.26 -3.17 121.76 124.39 2ka3 s ALA 898 Ca 0.02 -1.20 -0.05 0.00 0.00 0.00 0.00 51.96 50.73 2ka3 s ALA 898 Cb -0.12 -1.28 -0.01 0.00 0.00 0.00 0.00 23.12 21.71 2ka3 s ALA 898 CO -0.09 0.56 0.00 0.08 0.00 0.00 0.00 175.76 176.31 2ka3 s VAL 899 N -1.64 3.64 -0.24 0.00 1.01 -1.17 -5.05 120.40 116.94 2ka3 s VAL 899 Ca 0.29 -0.49 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 2ka3 s VAL 899 Cb -0.10 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 2ka3 s VAL 899 CO 0.22 0.33 0.14 -0.76 0.00 0.00 0.00 175.10 175.03 2ka3 s LEU 900 N 1.50 3.95 0.04 3.92 2.01 -1.26 -4.57 118.68 124.26 2ka3 s LEU 900 Ca 0.05 0.03 -0.30 0.00 0.01 0.00 0.00 54.13 53.92 2ka3 s LEU 900 Cb -0.15 -2.06 -0.04 0.00 0.01 0.00 0.00 46.19 43.95 2ka3 s LEU 900 CO -0.01 0.03 1.01 -0.89 1.01 0.00 0.00 176.35 177.50 2ka3 s THR 901 N 1.24 4.66 0.11 5.49 2.01 -1.26 -4.99 115.64 122.90 2ka3 s THR 901 Ca 0.07 1.98 -0.30 0.00 0.31 0.00 0.00 61.69 63.75 2ka3 s THR 901 Cb -0.14 -4.27 -0.09 0.00 0.01 0.00 0.00 72.50 68.01 2ka3 s THR 901 CO 0.06 0.19 1.60 1.23 -0.69 0.00 0.00 174.62 177.01 2ka3 h GLY 902 N 6.47 -0.73 -5.70 4.40 0.00 -1.99 -3.48 103.07 102.04 2ka3 h GLY 902 Ca -0.42 0.43 -0.31 0.00 0.00 0.00 0.00 47.33 47.04 2ka3 h GLY 902 CO 0.75 -0.26 -0.79 1.42 0.00 0.00 0.00 176.54 177.65 2ka3 n HIS 903 N -5.44 -1.57 0.61 5.60 8.25 -1.26 -4.86 115.22 116.55 2ka3 n HIS 903 Ca -0.07 0.65 0.09 0.00 -0.26 0.00 0.00 57.72 58.14 2ka3 n HIS 903 Cb 0.36 -1.55 0.41 0.00 1.12 0.00 0.00 29.99 30.33 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 -1.12 0.03 0.12 -0.41 1.85 -1.26 -3.52 116.66 112.36 2ka3 n ARG 904 Ca -0.15 0.21 0.12 0.00 -1.00 0.00 0.00 57.85 57.03 2ka3 n ARG 904 Cb 0.47 -1.55 0.47 0.00 -1.05 0.00 0.00 32.46 30.79 2ka3 n ARG 904 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 2ka3 n HIS 905 N -1.62 0.86 0.00 2.89 -0.00 -1.26 -4.98 115.22 111.11 2ka3 n HIS 905 Ca 0.04 0.31 0.00 0.00 0.46 0.00 0.00 57.72 58.53 2ka3 n HIS 905 Cb 0.23 -1.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.10 2ka3 n HIS 905 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 2ka3 n GLU 906 N -2.26 0.00 0.00 1.57 0.28 -1.23 -5.13 120.64 113.88 2ka3 n GLU 906 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 2ka3 n GLU 906 Cb 0.29 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.16 2ka3 n GLU 906 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2ka3 n LYS 907 N 0.00 0.00 -3.68 3.44 5.02 -1.26 -4.79 118.16 116.89 2ka3 n LYS 907 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 2ka3 n LYS 907 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 2ka3 n LYS 907 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2ka3 s VAL 908 N -0.64 5.32 -0.17 -0.18 1.01 -1.26 -3.19 120.40 121.29 2ka3 s VAL 908 Ca 0.00 0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 2ka3 s VAL 908 Cb 0.00 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 2ka3 s VAL 908 CO 0.00 0.35 -0.00 -0.70 0.00 0.00 0.00 175.10 174.75 2ka3 s GLU 909 N 1.02 3.74 -0.22 2.72 2.56 -0.65 -4.50 118.70 123.37 2ka3 s GLU 909 Ca 0.07 -0.47 -0.05 0.00 0.00 0.00 0.00 54.97 54.52 2ka3 s GLU 909 Cb -0.13 -3.03 0.11 0.00 2.00 0.00 0.00 34.13 33.08 2ka3 s GLU 909 CO 0.04 0.20 0.40 0.00 -0.56 0.00 0.00 175.26 175.34 2ka3 s ALA 910 N 0.50 -1.12 -0.36 6.30 0.00 -1.26 -2.85 121.76 122.98 2ka3 s ALA 910 Ca -0.01 1.19 -0.22 0.00 0.00 0.00 0.00 51.96 52.91 2ka3 s ALA 910 Cb -0.14 -1.51 0.01 0.00 0.00 0.00 0.00 23.12 21.48 2ka3 s ALA 910 CO 0.02 -1.02 0.73 0.08 0.00 0.00 0.00 175.76 175.56 2ka3 s VAL 911 N 2.58 4.80 0.41 0.00 1.01 -1.25 -3.24 120.40 124.71 2ka3 s VAL 911 Ca 0.06 0.79 -0.27 0.00 0.00 0.00 0.00 61.98 62.56 2ka3 s VAL 911 Cb -0.14 -4.15 -0.09 0.00 0.00 0.00 0.00 36.38 31.99 2ka3 s VAL 911 CO -0.14 -0.38 1.40 -0.76 0.00 0.00 0.00 175.10 175.22 2ka3 s LEU 912 N 2.94 4.23 0.06 3.92 1.43 -0.78 -3.80 118.68 126.68 2ka3 s LEU 912 Ca 0.29 2.87 0.07 0.00 -1.03 0.00 0.00 54.13 56.32 2ka3 s LEU 912 Cb -0.14 -3.82 -0.04 0.00 0.03 0.00 0.00 46.19 42.23 2ka3 s LEU 912 CO 0.16 -0.94 -0.15 -0.55 0.23 0.00 0.00 176.35 175.09 2ka3 s SER 913 N -0.46 4.03 0.21 2.29 0.15 -0.89 -3.51 113.70 115.52 2ka3 s SER 913 Ca 0.56 -0.41 -0.30 0.00 0.70 0.00 0.00 55.95 56.51 2ka3 s SER 913 Cb -0.43 -0.70 -0.08 0.00 -1.71 0.00 0.00 66.02 63.10 2ka3 s SER 913 CO 0.56 0.23 1.00 0.00 1.20 0.00 0.00 173.24 176.23 2ka3 s ARG 914 N -1.71 4.74 0.00 5.44 1.70 -1.26 -2.52 118.95 125.33 2ka3 s ARG 914 Ca 0.17 1.58 0.00 0.00 -0.47 0.00 0.00 55.73 57.01 2ka3 s ARG 914 Cb -0.11 -3.28 0.00 0.00 -0.57 0.00 0.00 34.95 30.99 2ka3 s ARG 914 CO 0.08 0.32 0.00 0.45 -1.08 0.00 0.00 175.30 175.07 2ka3 n SER 915 N 1.88 0.00 0.00 -2.89 2.88 -1.26 -4.77 113.62 109.47 2ka3 n SER 915 Ca -0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 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 -1.41 -3.46 3.02 -1.25 -5.16 115.26 107.00 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 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 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 -3.04 0.00 3.52 6.02 -1.05 -4.94 117.38 117.59 2ka3 n GLN 917 Ca 0.00 2.35 0.00 0.00 -0.01 0.00 0.00 57.00 59.34 2ka3 n GLN 917 Cb 0.00 -3.64 0.00 0.00 1.02 0.00 0.00 30.24 27.62 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 -4.22 3.14 3.08 1.08 0.00 -1.26 -4.80 105.19 102.22 2ka3 n GLY 918 Ca -0.06 -0.26 -0.07 0.00 0.00 0.00 0.00 46.02 45.64 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 -9.56 -3.14 1.61 0.31 -1.26 -2.10 118.33 104.18 2ka3 n VAL 919 Ca 0.00 0.14 -0.42 0.00 -0.01 0.00 0.00 64.34 64.05 2ka3 n VAL 919 Cb 0.00 -6.53 -0.07 0.00 -0.91 0.00 0.00 33.84 26.33 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 -2.81 3.44 -0.20 3.52 0.00 -1.25 -3.52 121.76 120.95 2ka3 s ALA 920 Ca 0.09 -0.95 0.08 0.00 0.00 0.00 0.00 51.96 51.18 2ka3 s ALA 920 Cb -0.02 -3.16 -0.17 0.00 0.00 0.00 0.00 23.12 19.77 2ka3 s ALA 920 CO 0.78 -1.39 -0.08 2.89 0.00 0.00 0.00 175.76 177.96 2ka3 n ARG 921 N 6.01 0.84 -3.28 0.00 1.85 -1.25 -4.29 116.66 116.54 2ka3 n ARG 921 Ca -0.02 0.07 -0.44 0.00 -1.00 0.00 0.00 57.85 56.45 2ka3 n ARG 921 Cb 0.48 -1.44 -0.00 0.00 -1.05 0.00 0.00 32.46 30.46 2ka3 n ARG 921 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2ka3 n VAL 922 N -2.91 4.68 -3.58 8.89 0.31 -1.26 -4.41 118.33 120.04 2ka3 n VAL 922 Ca -0.34 -5.49 -0.36 0.00 -0.01 0.00 0.00 64.34 58.14 2ka3 n VAL 922 Cb 0.98 -2.48 -0.08 0.00 -0.91 0.00 0.00 33.84 31.35 2ka3 n VAL 922 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2ka3 s ASP 923 N 0.63 6.35 -0.14 4.52 2.15 -1.26 -3.78 116.67 125.14 2ka3 s ASP 923 Ca 0.31 0.40 -0.04 0.00 0.43 0.00 0.00 52.55 53.65 2ka3 s ASP 923 Cb -0.07 -2.16 0.07 0.00 -0.30 0.00 0.00 42.92 40.46 2ka3 s ASP 923 CO -0.04 0.10 0.17 -0.55 -0.17 0.00 0.00 175.17 174.67 2ka3 s SER 924 N 0.56 1.26 -1.01 -0.34 0.15 -1.13 -5.06 113.70 108.14 2ka3 s SER 924 Ca 0.14 -0.04 -0.12 0.00 0.70 0.00 0.00 55.95 56.63 2ka3 s SER 924 Cb -0.13 0.22 0.23 0.00 -1.71 0.00 0.00 66.02 64.64 2ka3 s SER 924 CO 0.03 -0.29 1.04 -0.83 1.20 0.00 0.00 173.24 174.38 2ka3 s GLY 925 N 2.28 2.80 0.00 9.45 0.00 -1.26 -1.64 107.32 118.95 2ka3 s GLY 925 Ca 0.04 -3.50 0.01 0.00 0.00 0.00 0.00 44.72 41.27 2ka3 s GLY 925 CO -0.09 1.47 0.87 0.61 0.00 0.00 0.00 173.10 175.96 2ka3 n GLY 926 N 3.59 -0.85 0.33 0.20 0.00 -1.19 -5.03 105.19 102.24 2ka3 n GLY 926 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.51 0.00 -5.10 2.61 -1.04 -1.26 -3.62 114.28 105.37 2ka3 n THR 946 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 2ka3 n THR 946 Cb 0.00 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.36 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 2.31 0.10 -4.42 1.43 -1.26 -4.99 118.68 111.85 2ka3 s LEU 947 Ca 0.00 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.64 2ka3 s LEU 947 Cb 0.00 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.73 2ka3 s LEU 947 CO 0.00 0.23 0.06 -0.83 0.23 0.00 0.00 176.35 176.04 2ka3 s GLY 948 N -0.04 0.61 -0.10 -3.19 0.00 -1.26 -5.01 107.32 98.33 2ka3 s GLY 948 Ca -0.06 -1.19 0.03 0.00 0.00 0.00 0.00 44.72 43.50 2ka3 s GLY 948 CO 0.05 -1.22 -0.21 -1.34 0.00 0.00 0.00 173.10 170.38 2ka3 s VAL 949 N -3.96 1.85 0.02 1.40 -7.23 -1.26 -3.82 120.40 107.39 2ka3 s VAL 949 Ca 0.14 -0.89 0.01 0.00 -1.81 0.00 0.00 61.98 59.43 2ka3 s VAL 949 Cb 0.07 -1.61 -0.02 0.00 0.56 0.00 0.00 36.38 35.38 2ka3 s VAL 949 CO -0.05 0.51 -0.05 0.72 -0.31 0.00 0.00 175.10 175.92 2ka3 s PHE 950 N 0.47 0.43 -0.06 2.82 -0.12 -1.26 -5.03 117.98 115.23 2ka3 s PHE 950 Ca -0.17 -0.40 -0.01 0.00 -0.05 0.00 0.00 56.93 56.30 2ka3 s PHE 950 Cb -0.17 -0.27 -0.03 0.00 -0.63 0.00 0.00 43.02 41.91 2ka3 s PHE 950 CO 0.07 -0.10 -0.06 0.43 -0.05 0.00 0.00 175.22 175.50 2ka3 n SER 951 N 1.89 2.03 -0.08 1.98 7.64 -1.26 -4.49 113.62 121.33 2ka3 n SER 951 Ca -0.21 0.02 -0.16 0.00 1.01 0.00 0.00 58.87 59.54 2ka3 n SER 951 Cb 0.56 -0.13 -0.13 0.00 -1.01 0.00 0.00 64.21 63.50 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 -0.11 0.00 0.00 -3.43 5.85 -1.95 -3.45 115.31 112.23 2ka3 h LEU 952 Ca -0.14 -0.89 -0.05 0.00 0.84 0.00 0.00 57.88 57.64 2ka3 h LEU 952 Cb 1.17 -0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.21 2ka3 h LEU 952 CO -0.06 1.12 0.03 2.30 -0.34 0.00 0.00 178.44 181.49 2ka3 n ILE 953 N -4.56 0.00 -2.84 4.05 -5.35 -1.26 -4.26 119.36 105.13 2ka3 n ILE 953 Ca -0.15 -0.14 -0.03 0.00 -0.27 0.00 0.00 62.75 62.16 2ka3 n ILE 953 Cb 0.53 -1.60 0.01 0.00 -1.74 0.00 0.00 39.64 36.84 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 -1.40 -0.91 7.28 -0.00 -1.26 -4.92 118.68 117.47 2ka3 s LEU 954 Ca 0.07 -1.48 -0.24 0.00 -0.00 0.00 0.00 54.13 52.48 2ka3 s LEU 954 Cb -0.00 1.83 -0.01 0.00 -0.00 0.00 0.00 46.19 48.00 2ka3 s LEU 954 CO 0.05 -0.07 1.74 -2.16 -0.00 0.00 0.00 176.35 175.91 2ka3 s PRO 955 N 1.06 2.94 0.02 1.48 0.04 -1.26 -4.94 135.00 134.34 2ka3 s PRO 955 Ca 0.27 -0.50 0.08 0.00 0.04 0.00 0.00 61.00 60.89 2ka3 s PRO 955 Cb -0.00 -5.07 -0.02 0.00 0.04 0.00 0.00 34.50 29.45 2ka3 s PRO 955 CO -0.06 -2.87 -0.24 -0.51 0.04 0.00 0.00 177.00 173.36 2ka3 s LEU 956 N 8.05 2.11 0.25 -3.56 1.02 -1.26 -4.94 118.68 120.36 2ka3 s LEU 956 Ca 0.60 -0.51 -0.02 0.00 0.02 0.00 0.00 54.13 54.21 2ka3 s LEU 956 Cb -0.05 -1.21 -0.05 0.00 0.02 0.00 0.00 46.19 44.90 2ka3 s LEU 956 CO -0.01 0.26 0.47 -1.10 0.02 0.00 0.00 176.35 175.98 2ka3 s GLN 957 N -0.93 3.56 -0.04 1.70 -0.21 -1.26 -5.00 119.66 117.48 2ka3 s GLN 957 Ca 0.10 -0.20 -0.30 0.00 0.02 0.00 0.00 55.36 54.98 2ka3 s GLN 957 Cb -0.09 -2.75 -0.05 0.00 1.00 0.00 0.00 33.01 31.12 2ka3 s GLN 957 CO 0.01 0.31 1.43 0.00 -2.12 0.00 0.00 175.29 174.91 2ka3 s ALA 958 N -1.99 3.60 0.00 6.09 0.00 -1.26 -2.75 121.76 125.45 2ka3 s ALA 958 Ca 0.41 0.83 0.00 0.00 0.00 0.00 0.00 51.96 53.19 2ka3 s ALA 958 Cb -0.11 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.38 2ka3 s ALA 958 CO 0.30 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.41 2ka3 n GLY 959 N 3.74 1.32 3.66 0.00 0.00 -0.97 -5.04 105.19 107.89 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 -2.75 1.65 -0.06 1.61 1.11 -1.11 -4.81 116.67 112.30 2ka3 s ASP 960 Ca 0.00 0.72 -0.03 0.00 0.18 0.00 0.00 52.55 53.43 2ka3 s ASP 960 Cb 0.00 -1.06 0.04 0.00 1.07 0.00 0.00 42.92 42.97 2ka3 s ASP 960 CO 0.00 -3.68 0.13 -0.89 1.18 0.00 0.00 175.17 171.91 2ka3 s THR 961 N -3.11 -0.13 0.18 -1.27 2.01 -1.26 -4.02 115.64 108.04 2ka3 s THR 961 Ca 0.70 0.28 -0.05 0.00 0.31 0.00 0.00 61.69 62.93 2ka3 s THR 961 Cb -0.11 -0.23 -0.05 0.00 0.01 0.00 0.00 72.50 72.11 2ka3 s THR 961 CO 0.56 0.11 0.42 0.68 -0.69 0.00 0.00 174.62 175.70 2ka3 s VAL 962 N 1.67 5.13 -0.03 3.82 -7.23 -1.23 -4.37 120.40 118.16 2ka3 s VAL 962 Ca -0.03 0.02 -0.02 0.00 -1.81 0.00 0.00 61.98 60.13 2ka3 s VAL 962 Cb -0.12 -3.65 0.01 0.00 0.56 0.00 0.00 36.38 33.18 2ka3 s VAL 962 CO -0.05 -0.05 0.08 0.00 -0.31 0.00 0.00 175.10 174.77 2ka3 s VAL 964 N 0.23 5.21 -0.15 0.00 1.01 -1.26 -1.87 120.40 123.56 2ka3 s VAL 964 Ca -0.02 0.90 -0.05 0.00 0.00 0.00 0.00 61.98 62.81 2ka3 s VAL 964 Cb -0.02 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 2ka3 s VAL 964 CO -0.01 0.33 0.02 -0.62 0.00 0.00 0.00 175.10 174.83 2ka3 s ASP 965 N 0.61 5.31 -0.51 3.32 -1.08 -1.20 -4.92 116.67 118.20 2ka3 s ASP 965 Ca 0.25 0.03 0.07 0.00 -0.52 0.00 0.00 52.55 52.38 2ka3 s ASP 965 Cb -0.15 -1.82 0.23 0.00 -1.46 0.00 0.00 42.92 39.72 2ka3 s ASP 965 CO 0.09 0.21 0.58 -0.11 0.52 0.00 0.00 175.17 176.47 2ka3 n LEU 966 N 3.25 1.66 -3.15 -1.34 7.94 -1.26 -4.11 117.00 119.98 2ka3 n LEU 966 Ca -0.17 -4.98 0.04 0.00 -1.11 0.00 0.00 56.01 49.79 2ka3 n LEU 966 Cb 0.53 0.04 -0.00 0.00 0.53 0.00 0.00 43.42 44.51 2ka3 n LEU 966 CO 0.33 2.02 0.19 -0.69 -1.11 0.00 0.00 177.39 178.13 2ka3 s VAL 967 N -1.55 -0.86 -0.46 1.96 1.01 -1.26 -5.06 120.40 114.18 2ka3 s VAL 967 Ca 0.36 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.40 2ka3 s VAL 967 Cb 0.13 -0.88 0.24 0.00 0.00 0.00 0.00 36.38 35.87 2ka3 s VAL 967 CO -0.09 0.00 0.75 0.23 0.00 0.00 0.00 175.10 175.99 2ka3 n MET 968 N 5.37 0.73 0.00 2.72 2.81 -1.26 -5.06 117.12 122.43 2ka3 n MET 968 Ca 0.05 -2.26 0.00 0.00 -1.81 0.00 0.00 57.70 53.68 2ka3 n MET 968 Cb 0.54 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.66 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 1.66 3.55 0.03 3.03 0.00 -1.26 -4.35 105.19 107.85 2ka3 n GLY 969 Ca 0.14 -1.64 -0.03 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.82 2.80 -2.99 1.61 7.27 -1.26 -4.79 117.38 119.20 2ka3 n GLN 970 Ca 0.00 -0.00 -0.44 0.00 0.07 0.00 0.00 57.00 56.63 2ka3 n GLN 970 Cb 0.00 -1.17 -0.02 0.00 2.41 0.00 0.00 30.24 31.46 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 -4.53 5.31 0.00 1.69 2.96 -1.26 -4.92 118.68 117.93 2ka3 s LEU 971 Ca -0.04 -2.37 0.05 0.00 -0.22 0.00 0.00 54.13 51.55 2ka3 s LEU 971 Cb 0.02 -2.37 -0.02 0.00 0.50 0.00 0.00 46.19 44.32 2ka3 s LEU 971 CO 0.28 -0.91 0.17 0.00 -1.32 0.00 0.00 176.35 174.57 2ka3 n ALA 972 N 5.92 0.49 -2.52 5.97 0.00 -1.26 -5.17 120.51 123.94 2ka3 n ALA 972 Ca 0.25 -1.47 -0.26 0.00 0.00 0.00 0.00 53.44 51.96 2ka3 n ALA 972 Cb 0.47 1.12 -0.10 0.00 0.00 0.00 0.00 19.45 20.94 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 -2.89 2.47 -0.04 0.00 2.46 -1.26 -5.12 115.29 110.91 2ka3 s HIS 973 Ca 0.24 -0.28 -0.19 0.00 0.47 0.00 0.00 55.06 55.30 2ka3 s HIS 973 Cb 0.01 -1.17 -0.05 0.00 -0.13 0.00 0.00 32.58 31.24 2ka3 s HIS 973 CO 0.17 0.57 0.52 0.45 -2.47 0.00 0.00 174.74 173.98 2ka3 s SER 974 N -3.04 6.85 -0.03 9.88 0.15 -1.26 -5.06 113.70 121.18 2ka3 s SER 974 Ca 0.26 1.01 -0.29 0.00 0.70 0.00 0.00 55.95 57.63 2ka3 s SER 974 Cb -0.07 -2.32 0.06 0.00 -1.71 0.00 0.00 66.02 61.98 2ka3 s SER 974 CO 0.14 0.11 0.63 -0.70 1.20 0.00 0.00 173.24 174.62 2ka3 s GLU 975 N -0.07 1.03 -0.20 5.44 -6.30 -1.26 -5.15 118.70 112.19 2ka3 s GLU 975 Ca 0.28 0.17 0.00 0.00 -2.50 0.00 0.00 54.97 52.92 2ka3 s GLU 975 Cb -0.17 0.48 0.05 0.00 0.00 0.00 0.00 34.13 34.49 2ka3 s GLU 975 CO 0.14 -0.32 -0.06 -1.83 0.02 0.00 0.00 175.26 173.21 2ka3 s GLU 976 N -1.35 1.58 0.50 4.30 4.04 -1.26 -5.14 118.70 121.36 2ka3 s GLU 976 Ca -0.11 -0.74 0.08 0.00 0.04 0.00 0.00 54.97 54.24 2ka3 s GLU 976 Cb -0.01 -2.30 0.05 0.00 0.02 0.00 0.00 34.13 31.89 2ka3 s GLU 976 CO 0.08 -0.50 0.68 -1.25 -1.84 0.00 0.00 175.26 172.43 2ka3 s PRO 977 N 1.52 2.57 -0.03 -4.83 0.04 -1.26 -5.12 135.00 127.88 2ka3 s PRO 977 Ca -0.02 -1.39 0.06 0.00 0.04 0.00 0.00 61.00 59.69 2ka3 s PRO 977 Cb -0.17 -2.69 -0.02 0.00 0.04 0.00 0.00 34.50 31.66 2ka3 s PRO 977 CO -0.07 -0.56 -0.22 -0.51 0.04 0.00 0.00 177.00 175.68 2ka3 s LEU 978 N -4.52 2.31 0.00 -3.56 1.02 -1.26 -4.99 118.68 107.68 2ka3 s LEU 978 Ca 0.58 -0.37 0.00 0.00 0.02 0.00 0.00 54.13 54.36 2ka3 s LEU 978 Cb -0.08 -1.42 -0.00 0.00 0.02 0.00 0.00 46.19 44.71 2ka3 s LEU 978 CO 0.36 0.33 -0.01 0.42 0.02 0.00 0.00 176.35 177.47 2ka3 s THR 979 N -0.66 0.02 -0.10 5.49 -4.23 -1.26 -4.83 115.64 110.07 2ka3 s THR 979 Ca 0.11 -0.14 0.04 0.00 -1.18 0.00 0.00 61.69 60.51 2ka3 s THR 979 Cb -0.10 -0.05 -0.00 0.00 1.34 0.00 0.00 72.50 73.68 2ka3 s THR 979 CO -0.00 -0.08 -0.23 -0.63 -0.54 0.00 0.00 174.62 173.14 2ka3 s ILE 980 N -0.23 2.12 -0.28 2.99 -1.09 -1.26 -4.45 121.20 118.99 2ka3 s ILE 980 Ca -0.02 -1.00 0.01 0.00 -2.23 0.00 0.00 60.65 57.41 2ka3 s ILE 980 Cb -0.02 -1.81 0.08 0.00 -1.58 0.00 0.00 42.46 39.14 2ka3 s ILE 980 CO -0.00 0.56 0.01 0.12 -1.23 0.00 0.00 174.94 174.40 2ka3 s PHE 981 N 0.32 2.61 0.28 3.97 2.19 -1.21 -3.05 117.98 123.08 2ka3 s PHE 981 Ca -0.18 -2.10 0.06 0.00 0.33 0.00 0.00 56.93 55.05 2ka3 s PHE 981 Cb -0.18 -1.98 -0.02 0.00 -1.31 0.00 0.00 43.02 39.53 2ka3 s PHE 981 CO 0.09 -0.85 0.36 -1.54 1.83 0.00 0.00 175.22 175.11 2ka3 s SER 982 N 1.31 5.98 0.00 6.13 1.04 -1.19 -2.18 113.70 124.79 2ka3 s SER 982 Ca 0.03 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.34 2ka3 s SER 982 Cb -0.19 -1.51 0.00 0.00 0.10 0.00 0.00 66.02 64.42 2ka3 s SER 982 CO -0.11 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.52 2ka3 n GLY 983 N -1.43 0.00 3.37 7.32 0.00 -0.90 -3.57 105.19 109.97 2ka3 n GLY 983 Ca -0.06 0.75 -0.30 0.00 0.00 0.00 0.00 46.02 46.41 2ka3 n GLY 983 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ka3 s ALA 984 N 0.00 2.33 -0.06 4.61 0.00 -0.83 -2.89 121.76 124.92 2ka3 s ALA 984 Ca 0.00 -1.25 -0.30 0.00 0.00 0.00 0.00 51.96 50.41 2ka3 s ALA 984 Cb 0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 2ka3 s ALA 984 CO 0.00 0.54 1.26 -1.17 0.00 0.00 0.00 175.76 176.40 2ka3 s LEU 985 N -1.27 4.27 -0.20 0.00 2.96 -1.25 -1.59 118.68 121.60 2ka3 s LEU 985 Ca 0.12 1.86 -0.16 0.00 -0.22 0.00 0.00 54.13 55.73 2ka3 s LEU 985 Cb -0.10 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 42.96 2ka3 s LEU 985 CO 0.03 -0.65 -0.32 -0.11 -1.32 0.00 0.00 176.35 173.98 2ka3 n LEU 986 N 5.54 1.93 -3.93 -0.68 7.94 -1.16 -4.92 117.00 121.72 2ka3 n LEU 986 Ca 0.12 0.37 -0.23 0.00 -1.11 0.00 0.00 56.01 55.16 2ka3 n LEU 986 Cb 0.45 -0.78 -0.17 0.00 0.53 0.00 0.00 43.42 43.46 2ka3 n LEU 986 CO 0.56 -0.10 -0.43 -0.47 -1.11 0.00 0.00 177.39 175.84 2ka3 s TYR 987 N -2.74 1.10 -0.17 1.96 5.04 -0.57 -5.05 117.35 116.93 2ka3 s TYR 987 Ca -0.30 -0.40 -0.14 0.00 -2.44 0.00 0.00 57.07 53.80 2ka3 s TYR 987 Cb 0.06 -0.90 -0.05 0.00 0.35 0.00 0.00 41.96 41.42 2ka3 s TYR 987 CO 0.42 -0.28 0.29 0.20 -1.34 0.00 0.00 175.55 174.84 2ka3 s GLY 988 N 1.03 2.17 0.09 8.97 0.00 -1.26 -1.37 107.32 116.95 2ka3 s GLY 988 Ca -0.09 -0.51 -0.31 0.00 0.00 0.00 0.00 44.72 43.82 2ka3 s GLY 988 CO -0.00 0.46 1.40 0.99 0.00 0.00 0.00 173.10 175.95 2ka3 s ASP 989 N 0.58 6.82 -0.96 1.64 1.01 -1.24 -4.96 116.67 119.56 2ka3 s ASP 989 Ca 0.16 2.30 -0.04 0.00 0.71 0.00 0.00 52.55 55.67 2ka3 s ASP 989 Cb -0.13 -2.58 0.24 0.00 1.01 0.00 0.00 42.92 41.46 2ka3 s ASP 989 CO 0.04 -0.67 0.89 -2.16 0.21 0.00 0.00 175.17 173.48 2ka3 s PRO 990 N 1.37 3.59 0.00 8.23 0.04 -1.26 -4.84 135.00 142.13 2ka3 s PRO 990 Ca 0.65 -3.24 0.00 0.00 0.04 0.00 0.00 61.00 58.45 2ka3 s PRO 990 Cb -0.36 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.01 2ka3 s PRO 990 CO 0.30 -1.26 0.00 0.39 0.04 0.00 0.00 177.00 176.47 2ka3 n GLU 991 N 2.50 0.00 -3.96 4.56 1.02 -1.26 -4.81 120.64 118.69 2ka3 n GLU 991 Ca 0.22 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 57.04 2ka3 n GLU 991 Cb 0.38 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.80 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 -1.97 -4.45 -4.62 4.77 -1.26 -4.99 117.00 104.48 2ka3 n LEU 992 Ca 0.00 -0.81 -0.33 0.00 -0.03 0.00 0.00 56.01 54.83 2ka3 n LEU 992 Cb 0.00 -2.26 -0.13 0.00 -2.33 0.00 0.00 43.42 38.70 2ka3 n LEU 992 CO 0.00 0.33 -0.40 -1.61 -1.33 0.00 0.00 177.39 174.37 2ka3 s GLU 993 N -6.66 3.37 -0.23 3.23 2.02 -1.26 -5.08 118.70 114.09 2ka3 s GLU 993 Ca 0.66 -0.60 -0.01 0.00 0.02 0.00 0.00 54.97 55.04 2ka3 s GLU 993 Cb -0.35 -2.72 0.07 0.00 0.10 0.00 0.00 34.13 31.23 2ka3 s GLU 993 CO 0.81 0.31 0.00 -1.01 0.02 0.00 0.00 175.26 175.39 2ka3 s HIS 994 N 0.15 1.85 0.00 1.61 3.76 -1.26 -5.25 115.29 116.14 2ka3 s HIS 994 Ca -0.04 -1.47 0.00 0.00 -0.15 0.00 0.00 55.06 53.40 2ka3 s HIS 994 Cb -0.14 -1.44 0.00 0.00 1.11 0.00 0.00 32.58 32.11 2ka3 s HIS 994 CO 0.04 -0.73 0.00 0.00 -0.85 0.00 0.00 174.74 173.19