#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 1.29 -0.22 0.52 1.01 -1.26 -4.99 120.40 116.75 2ka3 s VAL 847 Ca 0.00 -0.45 0.22 0.00 0.00 0.00 0.00 61.98 61.75 2ka3 s VAL 847 Cb 0.00 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 2ka3 s VAL 847 CO 0.00 0.41 1.01 -0.81 0.00 0.00 0.00 175.10 175.71 2ka3 n PRO 848 N 4.85 0.61 -3.56 2.72 -0.04 -1.26 -5.01 135.00 133.31 2ka3 n PRO 848 Ca -0.15 0.11 -0.21 0.00 -0.04 0.00 0.00 63.50 63.21 2ka3 n PRO 848 Cb 0.50 -1.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 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 -2.67 -1.30 -5.15 0.54 7.27 -1.26 -5.00 117.38 109.81 2ka3 n GLN 849 Ca -0.01 0.65 -0.32 0.00 0.07 0.00 0.00 57.00 57.39 2ka3 n GLN 849 Cb 0.56 -1.82 -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 -2.73 2.34 0.10 1.69 1.01 -1.26 -5.04 120.40 116.51 2ka3 s VAL 850 Ca 0.02 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.05 2ka3 s VAL 850 Cb -0.00 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 2ka3 s VAL 850 CO 0.75 0.57 -0.07 0.00 0.00 0.00 0.00 175.10 176.34 2ka3 s ALA 851 N -0.27 1.00 -0.13 5.51 0.00 -1.26 -3.73 121.76 122.88 2ka3 s ALA 851 Ca 0.00 -1.28 -0.11 0.00 0.00 0.00 0.00 51.96 50.57 2ka3 s ALA 851 Cb -0.13 0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.14 2ka3 s ALA 851 CO 0.03 -0.17 0.34 -0.59 0.00 0.00 0.00 175.76 175.37 2ka3 s PHE 852 N -3.20 -0.38 -0.30 0.00 -0.71 -1.09 -3.54 117.98 108.76 2ka3 s PHE 852 Ca 0.09 0.93 -0.13 0.00 -1.04 0.00 0.00 56.93 56.78 2ka3 s PHE 852 Cb 0.02 0.13 0.17 0.00 -1.21 0.00 0.00 43.02 42.13 2ka3 s PHE 852 CO -0.03 -0.19 0.94 0.45 -1.34 0.00 0.00 175.22 175.05 2ka3 s SER 853 N 0.29 -0.67 0.18 1.98 0.15 0.07 -1.79 113.70 113.91 2ka3 s SER 853 Ca -0.01 0.76 0.11 0.00 0.70 0.00 0.00 55.95 57.52 2ka3 s SER 853 Cb -0.03 1.70 -0.04 0.00 -1.71 0.00 0.00 66.02 65.94 2ka3 s SER 853 CO -0.01 -0.13 -0.24 0.00 1.20 0.00 0.00 173.24 174.07 2ka3 s ALA 854 N 2.62 2.52 0.08 5.45 0.00 -0.86 -1.92 121.76 129.65 2ka3 s ALA 854 Ca -0.00 -1.59 0.01 0.00 0.00 0.00 0.00 51.96 50.38 2ka3 s ALA 854 Cb -0.08 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 2ka3 s ALA 854 CO -0.17 0.46 -0.06 0.00 0.00 0.00 0.00 175.76 175.99 2ka3 s ALA 855 N -1.53 0.85 -0.04 0.00 0.00 -0.15 -3.42 121.76 117.48 2ka3 s ALA 855 Ca 0.19 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 50.92 2ka3 s ALA 855 Cb -0.08 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.21 2ka3 s ALA 855 CO 0.09 -0.22 -0.04 -1.17 0.00 0.00 0.00 175.76 174.42 2ka3 s LEU 856 N -2.81 1.35 0.00 0.00 1.98 -1.26 -2.35 118.68 115.60 2ka3 s LEU 856 Ca 0.08 -0.11 0.00 0.00 -2.89 0.00 0.00 54.13 51.21 2ka3 s LEU 856 Cb 0.03 -0.40 0.00 0.00 0.66 0.00 0.00 46.19 46.49 2ka3 s LEU 856 CO -0.05 -0.05 0.00 -1.20 -1.89 0.00 0.00 176.35 173.16 2ka3 n SER 857 N 3.97 0.00 -2.06 3.68 7.64 -1.26 -4.88 113.62 120.72 2ka3 n SER 857 Ca -0.25 -0.93 -0.20 0.00 1.01 0.00 0.00 58.87 58.50 2ka3 n SER 857 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 -1.47 0.06 -3.43 -0.00 -1.26 -4.94 117.00 105.95 2ka3 n LEU 858 Ca 0.00 0.37 -0.21 0.00 -0.00 0.00 0.00 56.01 56.17 2ka3 n LEU 858 Cb 0.44 -0.42 -0.15 0.00 -0.00 0.00 0.00 43.42 43.29 2ka3 n LEU 858 CO 0.00 -2.08 -0.17 1.55 -0.00 0.00 0.00 177.39 176.68 2ka3 h PRO 859 N 0.12 0.33 -2.73 1.47 0.13 -2.06 -3.49 132.00 125.78 2ka3 h PRO 859 Ca -0.18 -0.57 0.09 0.00 -0.87 0.00 0.00 66.00 64.47 2ka3 h PRO 859 Cb 0.69 0.21 -0.04 0.00 0.13 0.00 0.00 31.00 32.00 2ka3 h PRO 859 CO 0.22 1.27 0.38 -0.98 -0.23 0.00 0.00 178.00 178.66 2ka3 s ARG 860 N -2.48 1.65 0.00 0.86 1.70 -1.26 -5.14 118.95 114.28 2ka3 s ARG 860 Ca -0.15 -0.99 0.00 0.00 -0.47 0.00 0.00 55.73 54.12 2ka3 s ARG 860 Cb 0.03 0.51 0.00 0.00 -0.57 0.00 0.00 34.95 34.92 2ka3 s ARG 860 CO 0.84 -0.77 0.00 0.43 -1.08 0.00 0.00 175.30 174.72 2ka3 n SER 861 N -0.86 0.00 -4.96 -2.89 7.64 -1.26 -4.97 113.62 106.32 2ka3 n SER 861 Ca -0.06 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.61 2ka3 n SER 861 Cb 0.60 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.78 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 3.43 0.28 1.43 0.41 -1.26 -5.01 118.70 117.97 2ka3 s GLU 862 Ca 0.00 -0.63 0.25 0.00 -0.41 0.00 0.00 54.97 54.18 2ka3 s GLU 862 Cb 0.00 -2.80 0.59 0.00 -1.78 0.00 0.00 34.13 30.14 2ka3 s GLU 862 CO 0.00 0.30 1.66 -1.00 -0.49 0.00 0.00 175.26 175.72 2ka3 h PRO 863 N 0.99 0.00 0.00 0.39 0.13 -2.07 -3.49 132.00 127.96 2ka3 h PRO 863 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2ka3 h PRO 863 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2ka3 h PRO 863 CO 0.61 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.79 2ka3 n GLY 864 N 1.24 1.95 3.76 1.56 0.00 -1.26 -5.15 105.19 107.29 2ka3 n GLY 864 Ca 0.05 0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 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 0.80 2.48 -0.12 2.61 2.01 -1.26 -4.99 115.64 117.16 2ka3 s THR 865 Ca 0.00 0.37 -0.17 0.00 0.31 0.00 0.00 61.69 62.20 2ka3 s THR 865 Cb 0.00 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 2ka3 s THR 865 CO 0.00 0.01 0.44 -0.69 -0.69 0.00 0.00 174.62 173.69 2ka3 s VAL 866 N -1.37 5.20 0.00 3.82 1.01 -1.26 -5.09 120.40 122.71 2ka3 s VAL 866 Ca 0.67 0.88 0.00 0.00 0.00 0.00 0.00 61.98 63.52 2ka3 s VAL 866 Cb -0.36 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2ka3 s VAL 866 CO 0.44 0.35 0.00 -0.81 0.00 0.00 0.00 175.10 175.08 2ka3 n PRO 867 N 3.58 3.72 -3.74 2.72 -0.04 -1.26 -4.67 135.00 135.31 2ka3 n PRO 867 Ca -0.08 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.26 2ka3 n PRO 867 Cb 0.52 0.00 -0.12 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 2.36 -0.39 -0.07 0.54 -0.71 -1.26 -4.91 117.98 113.56 2ka3 s PHE 868 Ca 0.00 0.90 0.03 0.00 -1.04 0.00 0.00 56.93 56.82 2ka3 s PHE 868 Cb 0.00 0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.90 2ka3 s PHE 868 CO 0.00 -0.21 0.09 -0.40 -1.34 0.00 0.00 175.22 173.35 2ka3 n ASP 869 N 3.51 2.16 -4.33 1.98 5.75 -1.22 -4.88 116.55 119.52 2ka3 n ASP 869 Ca -0.18 -0.29 -0.46 0.00 -0.01 0.00 0.00 54.79 53.84 2ka3 n ASP 869 Cb 0.56 1.06 -0.02 0.00 -1.03 0.00 0.00 41.12 41.70 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 -1.70 3.78 -0.71 0.11 1.81 -0.99 -4.99 118.95 116.26 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 -4.46 -0.02 0.00 -0.45 0.00 0.00 34.95 30.05 2ka3 s ARG 870 CO 0.11 -1.27 1.78 0.08 -0.68 0.00 0.00 175.30 175.32 2ka3 s VAL 871 N -0.32 3.45 -0.05 3.52 1.01 -1.26 -0.97 120.40 125.77 2ka3 s VAL 871 Ca 0.22 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.22 2ka3 s VAL 871 Cb -0.10 -4.14 -0.27 0.00 0.00 0.00 0.00 36.38 31.86 2ka3 s VAL 871 CO -0.09 -1.10 0.63 -0.07 0.00 0.00 0.00 175.10 174.48 2ka3 h LEU 872 N 16.11 0.40 -6.90 3.92 3.38 -1.75 -3.46 115.31 127.01 2ka3 h LEU 872 Ca -0.16 -0.70 0.10 0.00 0.09 0.00 0.00 57.88 57.21 2ka3 h LEU 872 Cb 1.11 -0.13 -0.24 0.00 0.09 0.00 0.00 40.66 41.48 2ka3 h LEU 872 CO 1.24 1.60 0.21 -0.22 0.09 0.00 0.00 178.44 181.36 2ka3 s LEU 873 N -6.96 -0.70 -0.34 1.67 2.96 -1.23 -5.01 118.68 109.07 2ka3 s LEU 873 Ca -0.14 1.07 0.04 0.00 -0.22 0.00 0.00 54.13 54.87 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 0.82 -0.16 1.36 -3.20 -1.32 0.00 0.00 176.35 173.86 2ka3 n ASN 874 N 4.30 -1.33 -0.20 3.68 2.85 -1.24 -0.75 115.26 122.58 2ka3 n ASN 874 Ca -0.16 -2.01 -0.06 0.00 -0.11 0.00 0.00 54.58 52.24 2ka3 n ASN 874 Cb 0.56 1.18 0.04 0.00 1.24 0.00 0.00 39.78 42.80 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 2.33 0.64 0.37 1.20 2.03 -1.97 -3.20 116.42 117.83 2ka3 h ASP 875 Ca -0.29 -0.01 -0.27 0.00 -0.73 0.00 0.00 57.03 55.72 2ka3 h ASP 875 Cb 1.21 -0.16 -0.05 0.00 -0.83 0.00 0.00 39.33 39.50 2ka3 h ASP 875 CO -0.01 0.46 -1.85 0.61 -1.03 0.00 0.00 179.24 177.42 2ka3 n GLY 876 N -1.26 -1.05 0.00 7.15 0.00 -1.26 -5.00 105.19 103.77 2ka3 n GLY 876 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 1.56 2.73 5.16 -0.02 0.00 -1.21 -5.00 105.19 108.41 2ka3 n GLY 877 Ca -0.19 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.29 1.61 4.01 -1.26 -4.66 117.16 113.57 2ka3 n TYR 878 Ca 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.34 2ka3 n TYR 878 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 38.95 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 -0.29 -0.72 1.13 -1.26 -4.13 117.35 115.33 2ka3 s TYR 879 Ca 0.00 0.51 -0.28 0.00 -1.41 0.00 0.00 57.07 55.89 2ka3 s TYR 879 Cb 0.00 -2.69 0.01 0.00 -1.10 0.00 0.00 41.96 38.18 2ka3 s TYR 879 CO 0.00 -0.29 1.02 0.34 -2.51 0.00 0.00 175.55 174.11 2ka3 s ASP 880 N 1.60 6.94 0.00 -0.18 -1.08 -1.06 -4.93 116.67 117.97 2ka3 s ASP 880 Ca 0.19 1.10 0.25 0.00 -0.52 0.00 0.00 52.55 53.56 2ka3 s ASP 880 Cb -0.16 -2.52 0.50 0.00 -1.46 0.00 0.00 42.92 39.28 2ka3 s ASP 880 CO 0.10 -0.78 1.43 -0.81 0.52 0.00 0.00 175.17 175.63 2ka3 n PRO 881 N 6.61 2.12 0.02 4.34 -0.04 -1.26 -0.36 135.00 146.43 2ka3 n PRO 881 Ca 0.11 -1.65 -0.19 0.00 -0.04 0.00 0.00 63.50 61.73 2ka3 n PRO 881 Cb 0.47 -1.47 -0.14 0.00 -0.04 0.00 0.00 33.50 32.32 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 3.85 0.23 0.00 0.54 5.08 -1.92 -3.32 114.58 119.05 2ka3 h GLU 882 Ca 0.00 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2ka3 h GLU 882 Cb 0.82 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2ka3 h GLU 882 CO 0.00 1.19 -1.10 0.25 -1.00 0.00 0.00 179.01 178.36 2ka3 n THR 883 N -4.22 0.00 -0.99 1.13 -2.24 -1.26 -4.95 114.28 101.75 2ka3 n THR 883 Ca -0.14 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2ka3 n THR 883 Cb 0.76 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 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 1.43 0.58 3.38 3.38 0.00 0.51 -4.66 105.19 109.82 2ka3 n GLY 884 Ca 0.02 -0.80 -0.45 0.00 0.00 0.00 0.00 46.02 44.79 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 5.16 -0.37 1.61 1.01 -0.58 -4.29 120.40 120.93 2ka3 s VAL 885 Ca 0.00 -1.07 -0.13 0.00 0.00 0.00 0.00 61.98 60.78 2ka3 s VAL 885 Cb 0.00 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 32.18 2ka3 s VAL 885 CO 0.00 -0.70 0.25 0.12 0.00 0.00 0.00 175.10 174.77 2ka3 s PHE 886 N 1.82 3.23 -0.42 5.22 2.19 -1.24 -2.56 117.98 126.23 2ka3 s PHE 886 Ca 0.06 -0.57 -0.14 0.00 0.33 0.00 0.00 56.93 56.60 2ka3 s PHE 886 Cb -0.25 -2.50 0.04 0.00 -1.31 0.00 0.00 43.02 39.00 2ka3 s PHE 886 CO 0.07 -0.53 0.32 0.99 1.83 0.00 0.00 175.22 177.89 2ka3 s THR 887 N 1.66 5.12 -0.42 0.12 2.01 -1.26 -3.66 115.64 119.20 2ka3 s THR 887 Ca 0.05 -0.84 -0.22 0.00 0.31 0.00 0.00 61.69 60.99 2ka3 s THR 887 Cb -0.18 -3.93 0.02 0.00 0.01 0.00 0.00 72.50 68.42 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 1.64 3.35 -2.55 7.40 0.00 -1.26 -4.68 121.76 125.67 2ka3 s ALA 888 Ca 0.04 -1.05 0.24 0.00 0.00 0.00 0.00 51.96 51.19 2ka3 s ALA 888 Cb -0.21 -3.34 0.69 0.00 0.00 0.00 0.00 23.12 20.26 2ka3 s ALA 888 CO 0.08 -1.74 1.53 -0.35 0.00 0.00 0.00 175.76 175.29 2ka3 n PRO 889 N 6.37 1.96 -0.06 0.00 -0.04 -1.26 -2.08 135.00 139.89 2ka3 n PRO 889 Ca -0.00 -1.41 -0.07 0.00 -0.04 0.00 0.00 63.50 61.98 2ka3 n PRO 889 Cb 0.48 -1.46 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 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 3.16 -0.52 -1.27 1.53 3.38 -1.96 -3.47 115.31 116.16 2ka3 h LEU 890 Ca 0.00 0.11 -0.39 0.00 0.09 0.00 0.00 57.88 57.69 2ka3 h LEU 890 Cb 0.68 0.27 0.11 0.00 0.09 0.00 0.00 40.66 41.81 2ka3 h LEU 890 CO 0.00 -0.19 -0.74 0.00 0.09 0.00 0.00 178.44 177.59 2ka3 n ALA 891 N -2.68 -1.65 -3.00 1.53 0.00 -1.26 -4.77 120.51 108.68 2ka3 n ALA 891 Ca -0.00 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2ka3 n ALA 891 Cb 0.24 -3.84 0.00 0.00 0.00 0.00 0.00 19.45 15.84 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 -1.61 3.27 3.63 0.00 0.00 -1.26 -3.80 105.19 105.42 2ka3 n GLY 892 Ca -0.13 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.47 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 0.03 4.11 0.26 1.61 3.52 -0.42 -4.93 118.95 123.12 2ka3 s ARG 893 Ca 0.00 0.36 0.10 0.00 -0.13 0.00 0.00 55.73 56.06 2ka3 s ARG 893 Cb 0.00 -3.62 -0.04 0.00 -1.56 0.00 0.00 34.95 29.72 2ka3 s ARG 893 CO 0.00 -0.29 -0.06 1.52 -0.81 0.00 0.00 175.30 175.66 2ka3 s TYR 894 N 2.11 2.61 -0.31 5.12 -0.85 -1.26 -1.38 117.35 123.38 2ka3 s TYR 894 Ca 0.22 -0.24 -0.09 0.00 -0.52 0.00 0.00 57.07 56.44 2ka3 s TYR 894 Cb -0.16 -1.17 -0.00 0.00 0.38 0.00 0.00 41.96 41.02 2ka3 s TYR 894 CO 0.09 0.62 0.13 -1.17 -1.52 0.00 0.00 175.55 173.71 2ka3 s LEU 895 N -3.52 4.03 -0.10 -3.49 2.96 -0.50 -4.76 118.68 113.30 2ka3 s LEU 895 Ca 0.30 -0.58 -0.00 0.00 -0.22 0.00 0.00 54.13 53.63 2ka3 s LEU 895 Cb -0.06 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 2ka3 s LEU 895 CO 0.18 -0.19 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.73 2ka3 s LEU 896 N 1.58 3.10 -0.13 -0.68 0.20 -1.26 -1.87 118.68 119.62 2ka3 s LEU 896 Ca 0.04 -0.10 -0.04 0.00 0.69 0.00 0.00 54.13 54.72 2ka3 s LEU 896 Cb -0.17 -1.69 0.06 0.00 -0.43 0.00 0.00 46.19 43.96 2ka3 s LEU 896 CO 0.05 0.29 0.24 -0.44 -0.29 0.00 0.00 176.35 176.20 2ka3 s SER 897 N -0.38 0.54 0.15 3.68 0.01 -1.24 -4.85 113.70 111.60 2ka3 s SER 897 Ca 0.05 0.45 0.05 0.00 1.31 0.00 0.00 55.95 57.82 2ka3 s SER 897 Cb -0.12 0.58 -0.04 0.00 0.21 0.00 0.00 66.02 66.65 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 2.39 3.45 -0.23 1.44 0.00 -1.26 -3.20 121.76 124.34 2ka3 s ALA 898 Ca 0.02 -1.22 -0.05 0.00 0.00 0.00 0.00 51.96 50.71 2ka3 s ALA 898 Cb -0.12 -1.26 -0.02 0.00 0.00 0.00 0.00 23.12 21.72 2ka3 s ALA 898 CO -0.08 0.55 0.01 0.08 0.00 0.00 0.00 175.76 176.32 2ka3 s VAL 899 N -1.65 3.85 -0.25 0.00 1.01 -1.17 -5.06 120.40 117.14 2ka3 s VAL 899 Ca 0.29 -0.33 -0.11 0.00 0.00 0.00 0.00 61.98 61.83 2ka3 s VAL 899 Cb -0.10 -2.77 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 2ka3 s VAL 899 CO 0.21 0.39 0.20 -0.76 0.00 0.00 0.00 175.10 175.14 2ka3 s LEU 900 N 1.47 4.08 0.05 3.92 2.01 -1.26 -4.61 118.68 124.34 2ka3 s LEU 900 Ca 0.05 0.12 -0.30 0.00 0.01 0.00 0.00 54.13 54.01 2ka3 s LEU 900 Cb -0.15 -2.16 -0.04 0.00 0.01 0.00 0.00 46.19 43.85 2ka3 s LEU 900 CO 0.00 0.00 0.98 -0.89 1.01 0.00 0.00 176.35 177.46 2ka3 s THR 901 N 1.36 4.68 0.10 5.49 2.01 -1.26 -4.99 115.64 123.02 2ka3 s THR 901 Ca 0.09 2.04 -0.32 0.00 0.31 0.00 0.00 61.69 63.81 2ka3 s THR 901 Cb -0.15 -4.30 -0.13 0.00 0.01 0.00 0.00 72.50 67.93 2ka3 s THR 901 CO 0.07 0.22 1.60 1.23 -0.69 0.00 0.00 174.62 177.05 2ka3 h GLY 902 N 6.29 -0.89 -5.84 4.40 0.00 -1.99 -3.48 103.07 101.56 2ka3 h GLY 902 Ca -0.42 0.45 -0.32 0.00 0.00 0.00 0.00 47.33 47.04 2ka3 h GLY 902 CO 0.74 -0.31 -0.82 1.42 0.00 0.00 0.00 176.54 177.58 2ka3 n HIS 903 N -5.48 -1.60 0.83 5.60 8.25 -1.26 -4.87 115.22 116.69 2ka3 n HIS 903 Ca -0.10 0.67 0.10 0.00 -0.26 0.00 0.00 57.72 58.13 2ka3 n HIS 903 Cb 0.38 -1.65 0.48 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 -1.26 0.12 0.15 -0.41 1.85 -1.26 -3.59 116.66 112.25 2ka3 n ARG 904 Ca -0.16 0.12 0.13 0.00 -1.00 0.00 0.00 57.85 56.94 2ka3 n ARG 904 Cb 0.49 -1.50 0.49 0.00 -1.05 0.00 0.00 32.46 30.89 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 0.29 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.25 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 -2.39 0.00 0.00 5.26 0.28 -1.24 -5.14 120.64 117.41 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 1.17 -0.16 0.00 0.00 177.13 178.14 2ka3 n LYS 907 N -0.60 0.00 -3.58 3.44 4.81 -1.26 -4.85 118.16 116.11 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 -0.46 5.31 -0.21 3.15 1.01 -1.26 -3.29 120.40 124.66 2ka3 s VAL 908 Ca 0.00 0.35 -0.04 0.00 0.00 0.00 0.00 61.98 62.29 2ka3 s VAL 908 Cb 0.00 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 2ka3 s VAL 908 CO 0.00 0.32 -0.04 -0.70 0.00 0.00 0.00 175.10 174.68 2ka3 s GLU 909 N 1.09 3.45 -0.12 2.72 2.56 -0.83 -4.41 118.70 123.15 2ka3 s GLU 909 Ca 0.11 -0.60 -0.01 0.00 0.00 0.00 0.00 54.97 54.47 2ka3 s GLU 909 Cb -0.14 -3.00 0.04 0.00 2.00 0.00 0.00 34.13 33.03 2ka3 s GLU 909 CO 0.05 -0.10 -0.01 0.00 -0.56 0.00 0.00 175.26 174.64 2ka3 s ALA 910 N 1.23 1.00 -0.38 6.30 0.00 -1.25 -2.58 121.76 126.08 2ka3 s ALA 910 Ca 0.03 -0.44 -0.24 0.00 0.00 0.00 0.00 51.96 51.32 2ka3 s ALA 910 Cb -0.14 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 22.06 2ka3 s ALA 910 CO -0.01 -0.65 0.81 0.08 0.00 0.00 0.00 175.76 175.98 2ka3 s VAL 911 N 1.85 4.70 0.38 0.00 1.01 -1.24 -3.04 120.40 124.05 2ka3 s VAL 911 Ca 0.03 0.87 -0.27 0.00 0.00 0.00 0.00 61.98 62.60 2ka3 s VAL 911 Cb -0.14 -4.24 -0.10 0.00 0.00 0.00 0.00 36.38 31.90 2ka3 s VAL 911 CO -0.07 -0.49 1.42 -0.76 0.00 0.00 0.00 175.10 175.21 2ka3 s LEU 912 N 3.19 4.29 0.07 3.92 1.43 -0.76 -3.67 118.68 127.15 2ka3 s LEU 912 Ca 0.32 2.92 0.08 0.00 -1.03 0.00 0.00 54.13 56.42 2ka3 s LEU 912 Cb -0.13 -3.74 -0.03 0.00 0.03 0.00 0.00 46.19 42.32 2ka3 s LEU 912 CO 0.18 -0.86 -0.18 -0.55 0.23 0.00 0.00 176.35 175.17 2ka3 s SER 913 N -0.34 3.85 0.26 2.29 0.15 -0.88 -3.40 113.70 115.63 2ka3 s SER 913 Ca 0.54 -0.46 -0.30 0.00 0.70 0.00 0.00 55.95 56.43 2ka3 s SER 913 Cb -0.44 -0.60 -0.09 0.00 -1.71 0.00 0.00 66.02 63.18 2ka3 s SER 913 CO 0.59 0.23 1.02 0.00 1.20 0.00 0.00 173.24 176.28 2ka3 s ARG 914 N -1.68 4.74 0.00 5.44 3.03 -1.26 -2.64 118.95 126.58 2ka3 s ARG 914 Ca 0.16 1.65 0.00 0.00 2.03 0.00 0.00 55.73 59.57 2ka3 s ARG 914 Cb -0.11 -3.24 0.00 0.00 -1.03 0.00 0.00 34.95 30.58 2ka3 s ARG 914 CO 0.07 0.35 0.00 0.45 -1.13 0.00 0.00 175.30 175.04 2ka3 n SER 915 N 1.39 0.00 0.00 -2.89 2.88 -1.26 -4.76 113.62 108.98 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 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 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 0.17 -1.44 -3.46 3.02 -1.25 -5.16 115.26 107.13 2ka3 n ASN 916 Ca 0.00 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.73 2ka3 n ASN 916 Cb 0.00 0.02 -0.08 0.00 -0.61 0.00 0.00 39.78 39.12 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 -0.35 -3.20 0.00 3.52 6.02 -1.08 -4.95 117.38 117.35 2ka3 n GLN 917 Ca 0.00 2.46 0.00 0.00 -0.01 0.00 0.00 57.00 59.45 2ka3 n GLN 917 Cb 0.01 -3.79 0.00 0.00 1.02 0.00 0.00 30.24 27.48 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 -4.32 3.32 3.01 1.08 0.00 -1.26 -4.80 105.19 102.21 2ka3 n GLY 918 Ca -0.06 -0.23 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 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 -9.99 -3.15 1.61 0.31 -1.26 -2.07 118.33 103.77 2ka3 n VAL 919 Ca 0.00 0.37 -0.42 0.00 -0.01 0.00 0.00 64.34 64.29 2ka3 n VAL 919 Cb 0.00 -6.75 -0.07 0.00 -0.91 0.00 0.00 33.84 26.11 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 -2.71 3.46 -0.20 3.52 0.00 -1.24 -3.30 121.76 121.30 2ka3 s ALA 920 Ca 0.15 -0.90 0.07 0.00 0.00 0.00 0.00 51.96 51.28 2ka3 s ALA 920 Cb -0.04 -3.12 -0.17 0.00 0.00 0.00 0.00 23.12 19.79 2ka3 s ALA 920 CO 0.77 -1.30 -0.10 2.89 0.00 0.00 0.00 175.76 178.03 2ka3 n ARG 921 N 5.94 0.80 -3.31 0.00 1.85 -1.24 -4.05 116.66 116.65 2ka3 n ARG 921 Ca -0.02 0.08 -0.44 0.00 -1.00 0.00 0.00 57.85 56.47 2ka3 n ARG 921 Cb 0.49 -1.44 -0.01 0.00 -1.05 0.00 0.00 32.46 30.45 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 -2.95 4.54 -3.51 8.89 0.31 -1.26 -4.39 118.33 119.96 2ka3 n VAL 922 Ca -0.35 -5.46 -0.37 0.00 -0.01 0.00 0.00 64.34 58.15 2ka3 n VAL 922 Cb 0.97 -2.47 -0.07 0.00 -0.91 0.00 0.00 33.84 31.36 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 0.55 6.51 -0.15 4.52 2.15 -1.26 -3.73 116.67 125.26 2ka3 s ASP 923 Ca 0.31 0.60 -0.04 0.00 0.43 0.00 0.00 52.55 53.85 2ka3 s ASP 923 Cb -0.07 -2.20 0.07 0.00 -0.30 0.00 0.00 42.92 40.42 2ka3 s ASP 923 CO -0.05 0.12 0.18 -0.55 -0.17 0.00 0.00 175.17 174.70 2ka3 s SER 924 N 0.27 1.17 -1.00 -0.34 0.15 -1.07 -5.06 113.70 107.82 2ka3 s SER 924 Ca 0.19 0.01 -0.12 0.00 0.70 0.00 0.00 55.95 56.73 2ka3 s SER 924 Cb -0.14 0.29 0.23 0.00 -1.71 0.00 0.00 66.02 64.70 2ka3 s SER 924 CO 0.06 -0.29 1.01 -0.83 1.20 0.00 0.00 173.24 174.39 2ka3 s GLY 925 N 2.30 2.84 0.00 9.45 0.00 -1.26 -1.97 107.32 118.68 2ka3 s GLY 925 Ca 0.04 -3.52 0.05 0.00 0.00 0.00 0.00 44.72 41.29 2ka3 s GLY 925 CO -0.09 1.42 0.68 0.61 0.00 0.00 0.00 173.10 175.73 2ka3 n GLY 926 N 3.53 -0.22 0.60 0.20 0.00 -1.21 -5.03 105.19 103.06 2ka3 n GLY 926 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.85 0.00 -5.13 2.61 -1.04 -1.26 -4.36 114.28 104.26 2ka3 n THR 946 Ca 0.04 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.73 2ka3 n THR 946 Cb 0.02 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.37 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 2.27 0.10 -4.42 1.43 -1.26 -4.99 118.68 111.81 2ka3 s LEU 947 Ca 0.00 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 2ka3 s LEU 947 Cb 0.00 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 2ka3 s LEU 947 CO 0.00 0.23 -0.03 -0.83 0.23 0.00 0.00 176.35 175.95 2ka3 s GLY 948 N -0.06 0.76 -0.10 -3.19 0.00 -1.26 -5.00 107.32 98.46 2ka3 s GLY 948 Ca -0.06 -1.35 0.03 0.00 0.00 0.00 0.00 44.72 43.34 2ka3 s GLY 948 CO 0.05 -1.40 -0.18 -1.34 0.00 0.00 0.00 173.10 170.22 2ka3 s VAL 949 N -3.80 1.64 0.03 1.40 -7.23 -1.26 -3.65 120.40 107.54 2ka3 s VAL 949 Ca 0.14 -0.76 0.01 0.00 -1.81 0.00 0.00 61.98 59.56 2ka3 s VAL 949 Cb 0.07 -1.46 -0.02 0.00 0.56 0.00 0.00 36.38 35.52 2ka3 s VAL 949 CO -0.04 0.47 -0.05 0.72 -0.31 0.00 0.00 175.10 175.88 2ka3 s PHE 950 N 0.68 0.47 -0.07 2.82 -0.12 -1.26 -5.04 117.98 115.47 2ka3 s PHE 950 Ca -0.13 -0.44 -0.01 0.00 -0.05 0.00 0.00 56.93 56.30 2ka3 s PHE 950 Cb -0.16 -0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 41.89 2ka3 s PHE 950 CO 0.03 -0.11 -0.08 0.43 -0.05 0.00 0.00 175.22 175.45 2ka3 n SER 951 N 1.74 2.19 -0.08 1.98 7.64 -1.26 -4.42 113.62 121.41 2ka3 n SER 951 Ca -0.22 0.02 -0.17 0.00 1.01 0.00 0.00 58.87 59.51 2ka3 n SER 951 Cb 0.55 -0.15 -0.12 0.00 -1.01 0.00 0.00 64.21 63.48 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 -1.93 -3.47 115.31 112.22 2ka3 h LEU 952 Ca -0.17 -0.78 0.00 0.00 0.84 0.00 0.00 57.88 57.78 2ka3 h LEU 952 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2ka3 h LEU 952 CO -0.06 1.21 0.00 2.30 -0.34 0.00 0.00 178.44 181.55 2ka3 n ILE 953 N -4.53 0.00 -2.88 4.05 -5.35 -1.26 -4.29 119.36 105.10 2ka3 n ILE 953 Ca -0.20 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.26 2ka3 n ILE 953 Cb 0.56 -1.61 0.00 0.00 -1.74 0.00 0.00 39.64 36.86 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 -1.46 -0.91 7.28 -0.00 -1.26 -4.91 118.68 117.42 2ka3 s LEU 954 Ca 0.00 -1.46 -0.24 0.00 -0.00 0.00 0.00 54.13 52.42 2ka3 s LEU 954 Cb 0.00 1.90 -0.01 0.00 -0.00 0.00 0.00 46.19 48.08 2ka3 s LEU 954 CO 0.00 -0.08 1.75 -2.16 -0.00 0.00 0.00 176.35 175.86 2ka3 s PRO 955 N 1.14 2.92 0.01 1.48 0.04 -1.26 -4.93 135.00 134.41 2ka3 s PRO 955 Ca 0.26 -0.48 0.08 0.00 0.04 0.00 0.00 61.00 60.91 2ka3 s PRO 955 Cb -0.01 -5.06 -0.02 0.00 0.04 0.00 0.00 34.50 29.45 2ka3 s PRO 955 CO -0.06 -2.89 -0.25 -0.51 0.04 0.00 0.00 177.00 173.34 2ka3 s LEU 956 N 8.14 2.11 0.28 -3.56 1.02 -1.26 -4.92 118.68 120.49 2ka3 s LEU 956 Ca 0.60 -0.51 -0.02 0.00 0.02 0.00 0.00 54.13 54.23 2ka3 s LEU 956 Cb -0.05 -1.24 -0.04 0.00 0.02 0.00 0.00 46.19 44.88 2ka3 s LEU 956 CO -0.01 0.27 0.50 -1.10 0.02 0.00 0.00 176.35 176.03 2ka3 s GLN 957 N -0.91 3.54 -0.05 1.70 -0.21 -1.26 -5.01 119.66 117.47 2ka3 s GLN 957 Ca 0.10 -0.23 -0.30 0.00 0.02 0.00 0.00 55.36 54.95 2ka3 s GLN 957 Cb -0.10 -2.71 -0.04 0.00 1.00 0.00 0.00 33.01 31.15 2ka3 s GLN 957 CO 0.01 0.25 1.41 0.00 -2.12 0.00 0.00 175.29 174.84 2ka3 s ALA 958 N -2.10 3.60 0.00 6.09 0.00 -1.26 -2.93 121.76 125.16 2ka3 s ALA 958 Ca 0.41 0.79 0.00 0.00 0.00 0.00 0.00 51.96 53.15 2ka3 s ALA 958 Cb -0.10 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.39 2ka3 s ALA 958 CO 0.32 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.43 2ka3 n GLY 959 N 3.72 1.54 3.67 0.00 0.00 -0.88 -5.04 105.19 108.20 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 -2.43 1.82 -0.06 1.61 1.11 -1.15 -4.80 116.67 112.77 2ka3 s ASP 960 Ca 0.00 0.73 -0.02 0.00 0.18 0.00 0.00 52.55 53.43 2ka3 s ASP 960 Cb 0.00 -1.07 0.04 0.00 1.07 0.00 0.00 42.92 42.96 2ka3 s ASP 960 CO 0.00 -3.58 0.12 -0.89 1.18 0.00 0.00 175.17 172.01 2ka3 s THR 961 N -3.14 -0.13 0.14 -1.27 2.01 -1.26 -4.02 115.64 107.97 2ka3 s THR 961 Ca 0.69 0.28 -0.04 0.00 0.31 0.00 0.00 61.69 62.93 2ka3 s THR 961 Cb -0.11 -0.22 -0.05 0.00 0.01 0.00 0.00 72.50 72.12 2ka3 s THR 961 CO 0.56 0.11 0.37 0.68 -0.69 0.00 0.00 174.62 175.65 2ka3 s VAL 962 N 1.65 5.18 -0.01 3.82 -7.23 -1.24 -4.37 120.40 118.20 2ka3 s VAL 962 Ca -0.03 -0.01 -0.01 0.00 -1.81 0.00 0.00 61.98 60.12 2ka3 s VAL 962 Cb -0.12 -3.63 0.01 0.00 0.56 0.00 0.00 36.38 33.20 2ka3 s VAL 962 CO -0.05 0.03 0.03 0.00 -0.31 0.00 0.00 175.10 174.80 2ka3 s VAL 964 N 0.13 5.19 -0.15 0.00 1.01 -1.26 -1.83 120.40 123.49 2ka3 s VAL 964 Ca -0.01 0.91 -0.04 0.00 0.00 0.00 0.00 61.98 62.83 2ka3 s VAL 964 Cb -0.02 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 2ka3 s VAL 964 CO -0.00 0.31 -0.01 -0.62 0.00 0.00 0.00 175.10 174.78 2ka3 s ASP 965 N 0.68 5.06 -0.52 3.32 -1.08 -1.17 -4.92 116.67 118.04 2ka3 s ASP 965 Ca 0.25 -0.05 0.05 0.00 -0.52 0.00 0.00 52.55 52.28 2ka3 s ASP 965 Cb -0.15 -1.80 0.19 0.00 -1.46 0.00 0.00 42.92 39.70 2ka3 s ASP 965 CO 0.10 0.19 0.45 -0.11 0.52 0.00 0.00 175.17 176.32 2ka3 n LEU 966 N 3.38 1.08 -3.15 -1.34 0.00 -1.26 -3.88 117.00 111.83 2ka3 n LEU 966 Ca -0.17 -4.78 0.04 0.00 0.00 0.00 0.00 56.01 51.10 2ka3 n LEU 966 Cb 0.52 0.05 -0.00 0.00 0.00 0.00 0.00 43.42 44.00 2ka3 n LEU 966 CO 0.33 1.88 0.13 -0.69 0.00 0.00 0.00 177.39 179.04 2ka3 s VAL 967 N -0.84 -0.95 -0.46 1.96 1.01 -1.26 -5.06 120.40 114.79 2ka3 s VAL 967 Ca 0.32 0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.36 2ka3 s VAL 967 Cb 0.05 -0.92 0.22 0.00 0.00 0.00 0.00 36.38 35.72 2ka3 s VAL 967 CO -0.16 0.00 0.68 0.23 0.00 0.00 0.00 175.10 175.86 2ka3 n MET 968 N 5.37 0.62 0.00 2.72 2.81 -1.26 -5.06 117.12 122.32 2ka3 n MET 968 Ca 0.05 -2.36 0.00 0.00 -1.81 0.00 0.00 57.70 53.58 2ka3 n MET 968 Cb 0.54 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.61 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 2.08 2.65 0.12 3.03 0.00 -1.26 -4.28 105.19 107.53 2ka3 n GLY 969 Ca 0.17 -1.59 0.03 0.00 0.00 0.00 0.00 46.02 44.63 2ka3 n GLY 969 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka3 n GLN 970 N 1.18 2.88 -3.27 1.61 -0.00 -1.26 -4.77 117.38 113.75 2ka3 n GLN 970 Ca 0.00 -0.38 -0.45 0.00 -0.00 0.00 0.00 57.00 56.16 2ka3 n GLN 970 Cb 0.00 -0.94 -0.01 0.00 -0.00 0.00 0.00 30.24 29.29 2ka3 n GLN 970 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2ka3 s LEU 971 N -1.60 6.23 0.00 2.61 2.96 -1.26 -4.94 118.68 122.67 2ka3 s LEU 971 Ca 0.05 -3.25 0.04 0.00 -0.22 0.00 0.00 54.13 50.74 2ka3 s LEU 971 Cb 0.05 -2.24 -0.01 0.00 0.50 0.00 0.00 46.19 44.49 2ka3 s LEU 971 CO 0.19 -0.44 0.13 0.00 -1.32 0.00 0.00 176.35 174.91 2ka3 n ALA 972 N 3.51 0.36 -2.43 5.97 0.00 -1.26 -5.14 120.51 121.52 2ka3 n ALA 972 Ca 0.23 -1.07 -0.23 0.00 0.00 0.00 0.00 53.44 52.38 2ka3 n ALA 972 Cb 0.42 0.82 -0.10 0.00 0.00 0.00 0.00 19.45 20.58 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 -2.61 2.11 -0.07 0.00 2.46 -1.26 -5.12 115.29 110.80 2ka3 s HIS 973 Ca 0.18 -0.40 -0.21 0.00 0.47 0.00 0.00 55.06 55.10 2ka3 s HIS 973 Cb 0.01 -0.94 -0.04 0.00 -0.13 0.00 0.00 32.58 31.48 2ka3 s HIS 973 CO 0.13 0.59 0.60 0.45 -2.47 0.00 0.00 174.74 174.04 2ka3 s SER 974 N -3.38 6.88 -0.04 9.88 0.15 -1.26 -5.05 113.70 120.88 2ka3 s SER 974 Ca 0.27 1.05 -0.27 0.00 0.70 0.00 0.00 55.95 57.69 2ka3 s SER 974 Cb -0.04 -2.36 0.06 0.00 -1.71 0.00 0.00 66.02 61.97 2ka3 s SER 974 CO 0.12 -0.02 0.60 -0.70 1.20 0.00 0.00 173.24 174.44 2ka3 s GLU 975 N 0.50 0.97 -0.20 5.44 -6.30 -1.26 -5.15 118.70 112.71 2ka3 s GLU 975 Ca 0.32 0.16 0.00 0.00 -2.50 0.00 0.00 54.97 52.95 2ka3 s GLU 975 Cb -0.17 0.46 0.05 0.00 0.00 0.00 0.00 34.13 34.46 2ka3 s GLU 975 CO 0.15 -0.30 -0.07 -1.83 0.02 0.00 0.00 175.26 173.23 2ka3 s GLU 976 N -1.23 1.70 0.53 4.30 4.04 -1.26 -5.14 118.70 121.64 2ka3 s GLU 976 Ca -0.12 -0.77 0.07 0.00 0.04 0.00 0.00 54.97 54.19 2ka3 s GLU 976 Cb -0.01 -2.33 0.06 0.00 0.02 0.00 0.00 34.13 31.86 2ka3 s GLU 976 CO 0.09 -0.48 0.74 -1.25 -1.84 0.00 0.00 175.26 172.51 2ka3 s PRO 977 N 1.48 2.45 -0.02 -4.83 0.04 -1.26 -5.11 135.00 127.75 2ka3 s PRO 977 Ca -0.02 -1.32 0.07 0.00 0.04 0.00 0.00 61.00 59.76 2ka3 s PRO 977 Cb -0.17 -2.63 -0.02 0.00 0.04 0.00 0.00 34.50 31.72 2ka3 s PRO 977 CO -0.07 -0.70 -0.22 -0.51 0.04 0.00 0.00 177.00 175.54 2ka3 s LEU 978 N -4.62 2.33 0.00 -3.56 1.02 -1.26 -5.03 118.68 107.56 2ka3 s LEU 978 Ca 0.59 -0.39 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 0.37 0.32 -0.01 0.42 0.02 0.00 0.00 176.35 177.47 2ka3 s THR 979 N -0.70 0.06 -0.11 5.49 -4.23 -1.26 -4.86 115.64 110.04 2ka3 s THR 979 Ca 0.11 -0.08 0.03 0.00 -1.18 0.00 0.00 61.69 60.57 2ka3 s THR 979 Cb -0.10 -0.07 -0.00 0.00 1.34 0.00 0.00 72.50 73.66 2ka3 s THR 979 CO 0.00 -0.01 -0.22 -0.63 -0.54 0.00 0.00 174.62 173.22 2ka3 s ILE 980 N -0.10 2.25 -0.27 2.99 -1.09 -1.26 -4.42 121.20 119.30 2ka3 s ILE 980 Ca -0.01 -0.95 0.00 0.00 -2.23 0.00 0.00 60.65 57.47 2ka3 s ILE 980 Cb -0.01 -1.88 0.08 0.00 -1.58 0.00 0.00 42.46 39.07 2ka3 s ILE 980 CO -0.00 0.55 0.01 0.12 -1.23 0.00 0.00 174.94 174.39 2ka3 s PHE 981 N 0.36 2.29 0.26 3.97 2.19 -1.22 -3.03 117.98 122.80 2ka3 s PHE 981 Ca -0.17 -1.85 0.05 0.00 0.33 0.00 0.00 56.93 55.29 2ka3 s PHE 981 Cb -0.17 -1.77 -0.03 0.00 -1.31 0.00 0.00 43.02 39.74 2ka3 s PHE 981 CO 0.08 -0.81 0.38 -1.54 1.83 0.00 0.00 175.22 175.15 2ka3 s SER 982 N 1.42 6.23 -0.30 6.13 1.04 -1.20 -2.02 113.70 125.00 2ka3 s SER 982 Ca 0.01 0.01 -0.18 0.00 0.48 0.00 0.00 55.95 56.27 2ka3 s SER 982 Cb -0.18 -1.73 0.17 0.00 0.10 0.00 0.00 66.02 64.38 2ka3 s SER 982 CO -0.11 -0.14 1.24 -0.83 0.98 0.00 0.00 173.24 174.38 2ka3 s GLY 983 N -4.01 -0.07 0.05 7.32 0.00 -0.74 -3.63 107.32 106.24 2ka3 s GLY 983 Ca 0.36 3.16 0.09 0.00 0.00 0.00 0.00 44.72 48.33 2ka3 s GLY 983 CO 0.29 4.00 -0.24 0.00 0.00 0.00 0.00 173.10 177.15 2ka3 s ALA 984 N 2.99 2.37 -0.07 3.20 0.00 -0.78 -2.65 121.76 126.82 2ka3 s ALA 984 Ca -0.10 -1.26 -0.30 0.00 0.00 0.00 0.00 51.96 50.30 2ka3 s ALA 984 Cb -0.08 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 2ka3 s ALA 984 CO -0.07 0.55 1.29 -1.17 0.00 0.00 0.00 175.76 176.36 2ka3 s LEU 985 N -1.35 4.27 -0.20 0.00 2.96 -1.24 -1.42 118.68 121.69 2ka3 s LEU 985 Ca 0.13 1.88 -0.16 0.00 -0.22 0.00 0.00 54.13 55.76 2ka3 s LEU 985 Cb -0.10 -3.55 -0.08 0.00 0.50 0.00 0.00 46.19 42.96 2ka3 s LEU 985 CO 0.03 -0.68 -0.32 -0.11 -1.32 0.00 0.00 176.35 173.96 2ka3 n LEU 986 N 5.69 1.93 -3.94 -0.68 7.94 -1.18 -4.91 117.00 121.85 2ka3 n LEU 986 Ca 0.13 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 0.57 -0.08 -0.43 -0.47 -1.11 0.00 0.00 177.39 175.86 2ka3 s TYR 987 N -2.74 1.11 -0.16 1.96 5.04 -0.48 -5.04 117.35 117.04 2ka3 s TYR 987 Ca -0.30 -0.40 -0.14 0.00 -2.44 0.00 0.00 57.07 53.79 2ka3 s TYR 987 Cb 0.06 -0.90 -0.05 0.00 0.35 0.00 0.00 41.96 41.43 2ka3 s TYR 987 CO 0.43 -0.27 0.30 0.20 -1.34 0.00 0.00 175.55 174.87 2ka3 s GLY 988 N 0.98 2.21 0.12 8.97 0.00 -1.26 -1.30 107.32 117.02 2ka3 s GLY 988 Ca -0.10 -0.45 -0.31 0.00 0.00 0.00 0.00 44.72 43.86 2ka3 s GLY 988 CO 0.00 0.46 1.39 0.99 0.00 0.00 0.00 173.10 175.94 2ka3 s ASP 989 N 0.51 6.82 -0.92 1.64 1.01 -1.25 -4.95 116.67 119.54 2ka3 s ASP 989 Ca 0.17 2.33 -0.05 0.00 0.71 0.00 0.00 52.55 55.71 2ka3 s ASP 989 Cb -0.13 -2.59 0.23 0.00 1.01 0.00 0.00 42.92 41.44 2ka3 s ASP 989 CO 0.04 -0.65 0.84 -2.16 0.21 0.00 0.00 175.17 173.45 2ka3 s PRO 990 N 1.09 3.50 0.00 8.23 0.04 -1.26 -4.85 135.00 141.75 2ka3 s PRO 990 Ca 0.65 -3.11 0.00 0.00 0.04 0.00 0.00 61.00 58.58 2ka3 s PRO 990 Cb -0.37 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 30.02 2ka3 s PRO 990 CO 0.30 -1.25 0.00 0.39 0.04 0.00 0.00 177.00 176.48 2ka3 n GLU 991 N 2.71 0.00 -3.92 4.56 1.02 -1.26 -4.81 120.64 118.95 2ka3 n GLU 991 Ca 0.20 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 57.03 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 -2.00 -4.45 -4.62 4.77 -1.26 -4.99 117.00 104.44 2ka3 n LEU 992 Ca 0.00 -0.78 -0.33 0.00 -0.03 0.00 0.00 56.01 54.86 2ka3 n LEU 992 Cb 0.00 -2.28 -0.13 0.00 -2.33 0.00 0.00 43.42 38.68 2ka3 n LEU 992 CO 0.00 0.33 -0.40 -1.61 -1.33 0.00 0.00 177.39 174.38 2ka3 s GLU 993 N -6.61 3.36 -0.22 3.23 2.02 -1.26 -5.08 118.70 114.13 2ka3 s GLU 993 Ca 0.64 -0.60 -0.01 0.00 0.02 0.00 0.00 54.97 55.02 2ka3 s GLU 993 Cb -0.34 -2.72 0.06 0.00 0.10 0.00 0.00 34.13 31.24 2ka3 s GLU 993 CO 0.79 0.31 -0.01 -1.01 0.02 0.00 0.00 175.26 175.36 2ka3 s HIS 994 N 0.13 1.87 0.00 1.61 3.76 -1.26 -5.25 115.29 116.14 2ka3 s HIS 994 Ca -0.04 -1.43 0.00 0.00 -0.15 0.00 0.00 55.06 53.44 2ka3 s HIS 994 Cb -0.14 -1.39 0.00 0.00 1.11 0.00 0.00 32.58 32.16 2ka3 s HIS 994 CO 0.04 -0.72 0.00 0.00 -0.85 0.00 0.00 174.74 173.21