#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 1.75 -0.23 0.52 1.01 -1.26 -4.98 120.40 117.21 2ka3 s VAL 847 Ca 0.00 -0.88 0.21 0.00 0.00 0.00 0.00 61.98 61.32 2ka3 s VAL 847 Cb 0.00 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.70 2ka3 s VAL 847 CO 0.00 0.37 1.06 1.55 0.00 0.00 0.00 175.10 178.08 2ka3 h PRO 848 N 7.98 0.00 -6.51 2.72 0.13 -1.98 -3.49 132.00 130.86 2ka3 h PRO 848 Ca -0.36 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.34 2ka3 h PRO 848 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2ka3 h PRO 848 CO 0.54 0.06 -0.97 0.94 -0.23 0.00 0.00 178.00 178.33 2ka3 n GLN 849 N -2.76 -1.36 -5.15 0.86 7.27 -1.26 -5.00 117.38 109.99 2ka3 n GLN 849 Ca -0.01 0.67 -0.32 0.00 0.07 0.00 0.00 57.00 57.41 2ka3 n GLN 849 Cb 0.60 -1.90 -0.16 0.00 2.41 0.00 0.00 30.24 31.19 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 -2.76 2.36 0.09 1.69 1.01 -1.26 -5.03 120.40 116.49 2ka3 s VAL 850 Ca 0.02 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.06 2ka3 s VAL 850 Cb -0.00 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 2ka3 s VAL 850 CO 0.78 0.57 -0.07 0.00 0.00 0.00 0.00 175.10 176.37 2ka3 s ALA 851 N -0.26 0.98 -0.10 5.51 0.00 -1.26 -3.64 121.76 122.99 2ka3 s ALA 851 Ca -0.00 -1.26 -0.14 0.00 0.00 0.00 0.00 51.96 50.55 2ka3 s ALA 851 Cb -0.13 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.14 2ka3 s ALA 851 CO 0.03 -0.17 0.37 -0.59 0.00 0.00 0.00 175.76 175.39 2ka3 s PHE 852 N -3.16 -0.35 -0.30 0.00 -0.71 -1.07 -3.67 117.98 108.72 2ka3 s PHE 852 Ca 0.09 0.79 -0.13 0.00 -1.04 0.00 0.00 56.93 56.63 2ka3 s PHE 852 Cb 0.02 0.14 0.16 0.00 -1.21 0.00 0.00 43.02 42.13 2ka3 s PHE 852 CO -0.03 -0.27 0.90 0.45 -1.34 0.00 0.00 175.22 174.92 2ka3 s SER 853 N -0.33 -0.74 0.18 1.98 0.15 0.10 -1.72 113.70 113.33 2ka3 s SER 853 Ca -0.05 0.91 0.10 0.00 0.70 0.00 0.00 55.95 57.62 2ka3 s SER 853 Cb -0.03 1.80 -0.04 0.00 -1.71 0.00 0.00 66.02 66.03 2ka3 s SER 853 CO 0.02 -0.14 -0.22 0.00 1.20 0.00 0.00 173.24 174.10 2ka3 s ALA 854 N 2.62 2.34 0.04 5.45 0.00 -0.94 -2.53 121.76 128.74 2ka3 s ALA 854 Ca -0.01 -1.58 -0.02 0.00 0.00 0.00 0.00 51.96 50.35 2ka3 s ALA 854 Cb -0.08 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 2ka3 s ALA 854 CO -0.17 0.37 -0.00 0.00 0.00 0.00 0.00 175.76 175.95 2ka3 s ALA 855 N -1.75 0.32 -0.04 0.00 0.00 -0.37 -3.43 121.76 116.48 2ka3 s ALA 855 Ca 0.18 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.19 2ka3 s ALA 855 Cb -0.07 0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.32 2ka3 s ALA 855 CO 0.09 -0.32 -0.05 -1.17 0.00 0.00 0.00 175.76 174.31 2ka3 s LEU 856 N -2.50 1.36 0.00 0.00 1.98 -1.26 -2.13 118.68 116.13 2ka3 s LEU 856 Ca 0.00 -0.13 0.00 0.00 -2.89 0.00 0.00 54.13 51.12 2ka3 s LEU 856 Cb 0.03 -0.44 0.00 0.00 0.66 0.00 0.00 46.19 46.44 2ka3 s LEU 856 CO -0.07 -0.05 0.14 -1.54 -1.89 0.00 0.00 176.35 172.94 2ka3 n SER 857 N 3.99 0.00 -1.11 3.68 3.41 -1.26 -4.82 113.62 117.50 2ka3 n SER 857 Ca -0.25 -0.85 -0.11 0.00 -0.26 0.00 0.00 58.87 57.40 2ka3 n SER 857 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 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 -0.82 0.02 1.04 -0.00 -1.26 -4.95 117.00 111.03 2ka3 n LEU 858 Ca 0.00 0.20 -0.19 0.00 -0.00 0.00 0.00 56.01 56.01 2ka3 n LEU 858 Cb 0.43 -0.23 -0.14 0.00 -0.00 0.00 0.00 43.42 43.48 2ka3 n LEU 858 CO 0.00 -1.14 0.01 1.55 -0.00 0.00 0.00 177.39 177.81 2ka3 h PRO 859 N 0.05 0.23 -2.79 1.47 0.13 -2.07 -3.49 132.00 125.53 2ka3 h PRO 859 Ca -0.10 -0.39 0.07 0.00 -0.87 0.00 0.00 66.00 64.70 2ka3 h PRO 859 Cb 0.37 0.15 -0.03 0.00 0.13 0.00 0.00 31.00 31.63 2ka3 h PRO 859 CO 0.12 1.19 0.37 -0.98 -0.23 0.00 0.00 178.00 178.47 2ka3 s ARG 860 N -2.40 1.79 0.00 0.86 1.70 -1.26 -5.14 118.95 114.50 2ka3 s ARG 860 Ca -0.16 -1.11 0.00 0.00 -0.47 0.00 0.00 55.73 53.99 2ka3 s ARG 860 Cb 0.01 0.53 0.00 0.00 -0.57 0.00 0.00 34.95 34.92 2ka3 s ARG 860 CO 0.79 -0.83 0.00 0.43 -1.08 0.00 0.00 175.30 174.61 2ka3 n SER 861 N -1.07 0.00 -4.66 -2.89 7.64 -1.26 -4.99 113.62 106.39 2ka3 n SER 861 Ca -0.06 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.58 2ka3 n SER 861 Cb 0.60 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.72 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 2.22 0.16 1.43 2.02 -1.26 -5.04 118.70 118.23 2ka3 s GLU 862 Ca 0.00 -1.61 0.26 0.00 0.02 0.00 0.00 54.97 53.65 2ka3 s GLU 862 Cb 0.00 -2.06 0.92 0.00 0.10 0.00 0.00 34.13 33.09 2ka3 s GLU 862 CO 0.00 0.18 1.80 -0.35 0.02 0.00 0.00 175.26 176.91 2ka3 n PRO 863 N -1.00 0.19 0.00 0.39 -0.04 -1.26 -4.96 135.00 128.32 2ka3 n PRO 863 Ca -0.04 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2ka3 n PRO 863 Cb 0.61 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 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 1.23 2.27 3.76 0.55 0.00 -1.26 -5.15 105.19 106.59 2ka3 n GLY 864 Ca 0.06 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.22 2.53 0.44 2.61 2.01 -1.26 -4.98 115.64 116.77 2ka3 s THR 865 Ca 0.00 0.49 -0.24 0.00 0.31 0.00 0.00 61.69 62.25 2ka3 s THR 865 Cb 0.00 -3.31 -0.08 0.00 0.01 0.00 0.00 72.50 69.12 2ka3 s THR 865 CO 0.00 0.10 1.18 0.68 -0.69 0.00 0.00 174.62 175.89 2ka3 s VAL 866 N -0.60 3.06 0.00 3.82 -7.23 -1.26 -5.08 120.40 113.11 2ka3 s VAL 866 Ca 0.55 0.82 0.00 0.00 -1.81 0.00 0.00 61.98 61.54 2ka3 s VAL 866 Cb -0.42 -3.43 0.00 0.00 0.56 0.00 0.00 36.38 33.08 2ka3 s VAL 866 CO 0.51 0.02 0.00 -0.81 -0.31 0.00 0.00 175.10 174.50 2ka3 n PRO 867 N -0.33 3.56 -3.74 4.82 -0.04 -1.26 -4.73 135.00 133.28 2ka3 n PRO 867 Ca 0.06 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.40 2ka3 n PRO 867 Cb 0.47 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.81 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 3.79 -0.38 -0.08 0.54 -0.71 -1.26 -4.78 117.98 115.10 2ka3 s PHE 868 Ca 0.00 0.88 0.03 0.00 -1.04 0.00 0.00 56.93 56.80 2ka3 s PHE 868 Cb 0.00 0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.89 2ka3 s PHE 868 CO 0.00 -0.22 0.09 -0.40 -1.34 0.00 0.00 175.22 173.35 2ka3 n ASP 869 N 3.70 1.90 -4.33 1.98 5.75 -1.15 -4.86 116.55 119.55 2ka3 n ASP 869 Ca -0.20 -0.33 -0.46 0.00 -0.01 0.00 0.00 54.79 53.79 2ka3 n ASP 869 Cb 0.55 1.05 -0.01 0.00 -1.03 0.00 0.00 41.12 41.68 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 -1.65 3.83 -0.74 0.11 1.81 -0.90 -4.98 118.95 116.43 2ka3 s ARG 870 Ca 0.00 -2.79 -0.26 0.00 -1.72 0.00 0.00 55.73 50.97 2ka3 s ARG 870 Cb 0.02 -4.46 -0.04 0.00 -0.45 0.00 0.00 34.95 30.02 2ka3 s ARG 870 CO 0.12 -1.27 1.93 0.08 -0.68 0.00 0.00 175.30 175.48 2ka3 s VAL 871 N -0.45 3.37 -0.11 3.52 1.01 -1.26 -1.23 120.40 125.25 2ka3 s VAL 871 Ca 0.23 -0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.13 2ka3 s VAL 871 Cb -0.10 -3.91 -0.25 0.00 0.00 0.00 0.00 36.38 32.11 2ka3 s VAL 871 CO -0.09 -0.87 0.39 0.18 0.00 0.00 0.00 175.10 174.71 2ka3 n LEU 872 N 13.54 2.31 -3.64 3.92 4.77 -1.05 -4.92 117.00 131.92 2ka3 n LEU 872 Ca 0.30 0.23 -0.04 0.00 -0.03 0.00 0.00 56.01 56.47 2ka3 n LEU 872 Cb 0.50 -0.86 -0.07 0.00 -2.33 0.00 0.00 43.42 40.66 2ka3 n LEU 872 CO 0.66 0.77 0.59 -0.22 -1.33 0.00 0.00 177.39 177.86 2ka3 s LEU 873 N -6.83 -0.62 0.00 2.23 2.96 -1.23 -5.02 118.68 110.17 2ka3 s LEU 873 Ca -0.20 1.00 0.00 0.00 -0.22 0.00 0.00 54.13 54.71 2ka3 s LEU 873 Cb 0.07 1.92 0.00 0.00 0.50 0.00 0.00 46.19 48.68 2ka3 s LEU 873 CO 0.77 -0.16 0.00 -0.46 -1.32 0.00 0.00 176.35 175.18 2ka3 n ASN 874 N 3.77 0.00 -0.21 3.68 6.94 -1.24 0.01 115.26 128.21 2ka3 n ASN 874 Ca -0.19 0.00 -0.05 0.00 -0.02 0.00 0.00 54.58 54.32 2ka3 n ASN 874 Cb 0.58 0.00 0.05 0.00 -2.36 0.00 0.00 39.78 38.05 2ka3 n ASN 874 CO 0.00 0.00 0.00 -2.24 -1.03 0.00 0.00 177.26 173.99 2ka3 h ASP 875 N 0.00 0.64 0.38 0.53 2.03 -1.96 -2.79 116.42 115.25 2ka3 h ASP 875 Ca 0.00 -0.01 -0.31 0.00 -0.73 0.00 0.00 57.03 55.98 2ka3 h ASP 875 Cb 0.00 -0.15 -0.05 0.00 -0.83 0.00 0.00 39.33 38.30 2ka3 h ASP 875 CO 0.00 0.46 -1.84 0.61 -1.03 0.00 0.00 179.24 177.44 2ka3 n GLY 876 N -1.26 -0.92 0.00 7.15 0.00 -1.26 -5.01 105.19 103.89 2ka3 n GLY 876 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 2.06 5.00 -0.02 0.00 -1.06 -4.96 105.19 107.87 2ka3 n GLY 877 Ca -0.21 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.54 1.61 4.01 -1.26 -4.79 117.16 113.19 2ka3 n TYR 878 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.36 2ka3 n TYR 878 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 38.93 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 3.27 -0.28 -0.72 1.13 -1.26 -3.86 117.35 115.63 2ka3 s TYR 879 Ca 0.00 0.28 -0.28 0.00 -1.41 0.00 0.00 57.07 55.65 2ka3 s TYR 879 Cb 0.00 -2.41 0.01 0.00 -1.10 0.00 0.00 41.96 38.46 2ka3 s TYR 879 CO 0.00 -0.09 1.03 -0.51 -2.51 0.00 0.00 175.55 173.47 2ka3 s ASP 880 N 1.44 6.97 0.00 -0.18 1.11 -1.03 -4.92 116.67 120.07 2ka3 s ASP 880 Ca 0.10 1.15 0.27 0.00 0.18 0.00 0.00 52.55 54.26 2ka3 s ASP 880 Cb -0.15 -2.53 0.91 0.00 1.07 0.00 0.00 42.92 42.22 2ka3 s ASP 880 CO 0.08 -0.77 1.67 -0.81 1.18 0.00 0.00 175.17 176.52 2ka3 n PRO 881 N 6.57 1.67 0.11 8.23 -0.04 -1.26 -0.71 135.00 149.58 2ka3 n PRO 881 Ca 0.11 -1.04 -0.23 0.00 -0.04 0.00 0.00 63.50 62.30 2ka3 n PRO 881 Cb 0.47 -1.48 -0.15 0.00 -0.04 0.00 0.00 33.50 32.30 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 2.54 0.48 0.00 0.54 5.08 -1.91 -3.29 114.58 118.03 2ka3 h GLU 882 Ca 0.00 -0.80 0.00 0.00 -1.00 0.00 0.00 59.36 57.56 2ka3 h GLU 882 Cb 0.56 0.29 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2ka3 h GLU 882 CO 0.00 1.38 -1.32 0.25 -1.00 0.00 0.00 179.01 178.32 2ka3 n THR 883 N -3.86 0.00 -0.87 1.13 -2.24 -1.26 -4.98 114.28 102.21 2ka3 n THR 883 Ca -0.16 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2ka3 n THR 883 Cb 1.00 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.76 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 1.46 0.49 3.36 3.38 0.00 0.11 -4.95 105.19 109.06 2ka3 n GLY 884 Ca -0.00 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 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 4.96 -0.38 1.61 1.01 -0.63 -4.41 120.40 120.56 2ka3 s VAL 885 Ca 0.00 -1.10 -0.15 0.00 0.00 0.00 0.00 61.98 60.73 2ka3 s VAL 885 Cb 0.00 -3.95 0.01 0.00 0.00 0.00 0.00 36.38 32.44 2ka3 s VAL 885 CO 0.00 -0.52 0.34 0.12 0.00 0.00 0.00 175.10 175.04 2ka3 s PHE 886 N 1.59 3.21 -0.40 5.22 2.19 -1.24 -2.45 117.98 126.10 2ka3 s PHE 886 Ca 0.04 -0.32 -0.13 0.00 0.33 0.00 0.00 56.93 56.85 2ka3 s PHE 886 Cb -0.23 -2.67 0.03 0.00 -1.31 0.00 0.00 43.02 38.84 2ka3 s PHE 886 CO 0.06 -0.54 0.27 0.99 1.83 0.00 0.00 175.22 177.83 2ka3 s THR 887 N 1.90 4.90 -0.43 0.12 2.01 -1.25 -3.73 115.64 119.16 2ka3 s THR 887 Ca 0.09 -0.83 -0.21 0.00 0.31 0.00 0.00 61.69 61.05 2ka3 s THR 887 Cb -0.18 -3.77 0.02 0.00 0.01 0.00 0.00 72.50 68.59 2ka3 s THR 887 CO 0.11 -0.32 0.68 0.00 -0.69 0.00 0.00 174.62 174.41 2ka3 s ALA 888 N 1.61 3.35 -2.66 7.40 0.00 -1.25 -4.48 121.76 125.73 2ka3 s ALA 888 Ca 0.03 -1.09 0.26 0.00 0.00 0.00 0.00 51.96 51.17 2ka3 s ALA 888 Cb -0.20 -3.32 0.72 0.00 0.00 0.00 0.00 23.12 20.32 2ka3 s ALA 888 CO 0.08 -1.74 1.55 -0.35 0.00 0.00 0.00 175.76 175.30 2ka3 n PRO 889 N 6.34 1.93 -0.01 0.00 -0.04 -1.26 -1.94 135.00 140.02 2ka3 n PRO 889 Ca -0.01 -1.35 -0.10 0.00 -0.04 0.00 0.00 63.50 62.01 2ka3 n PRO 889 Cb 0.48 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 32.44 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 3.23 -0.91 -2.53 1.53 3.38 -1.95 -3.47 115.31 114.58 2ka3 h LEU 890 Ca 0.00 0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 2ka3 h LEU 890 Cb 0.69 0.40 0.07 0.00 0.09 0.00 0.00 40.66 41.90 2ka3 h LEU 890 CO 0.00 -0.33 -0.39 0.00 0.09 0.00 0.00 178.44 177.81 2ka3 n ALA 891 N -2.81 -2.52 -3.00 1.53 0.00 -1.26 -4.77 120.51 107.67 2ka3 n ALA 891 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2ka3 n ALA 891 Cb 0.31 -2.92 0.00 0.00 0.00 0.00 0.00 19.45 16.84 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 -1.60 0.82 3.64 0.00 0.00 -1.26 -3.12 105.19 103.66 2ka3 n GLY 892 Ca -0.05 -0.83 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.70 4.12 0.14 1.61 3.52 -0.50 -4.94 118.95 121.20 2ka3 s ARG 893 Ca 0.00 0.29 0.09 0.00 -0.13 0.00 0.00 55.73 55.98 2ka3 s ARG 893 Cb 0.00 -3.60 -0.04 0.00 -1.56 0.00 0.00 34.95 29.75 2ka3 s ARG 893 CO 0.00 -0.22 -0.17 -0.47 -0.81 0.00 0.00 175.30 173.63 2ka3 s TYR 894 N 1.88 2.51 -0.29 5.12 5.04 -1.26 -1.48 117.35 128.87 2ka3 s TYR 894 Ca 0.21 -0.27 -0.08 0.00 -2.44 0.00 0.00 57.07 54.49 2ka3 s TYR 894 Cb -0.15 -1.30 -0.00 0.00 0.35 0.00 0.00 41.96 40.86 2ka3 s TYR 894 CO 0.09 0.43 0.10 -1.17 -1.34 0.00 0.00 175.55 173.66 2ka3 s LEU 895 N -2.38 3.85 -0.08 6.97 2.96 -0.60 -4.74 118.68 124.65 2ka3 s LEU 895 Ca 0.20 -0.58 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 2ka3 s LEU 895 Cb -0.10 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 2ka3 s LEU 895 CO 0.11 -0.17 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.64 2ka3 s LEU 896 N 1.55 2.91 -0.12 -0.68 0.20 -1.26 -1.86 118.68 119.41 2ka3 s LEU 896 Ca 0.04 -0.16 -0.04 0.00 0.69 0.00 0.00 54.13 54.65 2ka3 s LEU 896 Cb -0.17 -1.63 0.06 0.00 -0.43 0.00 0.00 46.19 44.03 2ka3 s LEU 896 CO 0.04 0.30 0.22 -0.44 -0.29 0.00 0.00 176.35 176.18 2ka3 s SER 897 N -0.44 0.59 0.16 3.68 0.01 -1.25 -4.87 113.70 111.58 2ka3 s SER 897 Ca 0.06 0.42 0.06 0.00 1.31 0.00 0.00 55.95 57.80 2ka3 s SER 897 Cb -0.12 0.51 -0.04 0.00 0.21 0.00 0.00 66.02 66.58 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 2.36 3.43 -0.25 1.44 0.00 -1.26 -3.37 121.76 124.12 2ka3 s ALA 898 Ca 0.02 -1.25 -0.08 0.00 0.00 0.00 0.00 51.96 50.66 2ka3 s ALA 898 Cb -0.12 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 2ka3 s ALA 898 CO -0.08 0.52 0.08 0.08 0.00 0.00 0.00 175.76 176.36 2ka3 s VAL 899 N -1.70 4.44 -0.25 0.00 1.01 -1.20 -5.06 120.40 117.64 2ka3 s VAL 899 Ca 0.29 -0.13 -0.12 0.00 0.00 0.00 0.00 61.98 62.02 2ka3 s VAL 899 Cb -0.10 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 2ka3 s VAL 899 CO 0.21 0.34 0.25 -0.76 0.00 0.00 0.00 175.10 175.15 2ka3 s LEU 900 N 1.51 4.09 0.01 3.92 2.01 -1.26 -4.67 118.68 124.29 2ka3 s LEU 900 Ca 0.06 0.20 -0.26 0.00 0.01 0.00 0.00 54.13 54.14 2ka3 s LEU 900 Cb -0.15 -2.25 -0.04 0.00 0.01 0.00 0.00 46.19 43.76 2ka3 s LEU 900 CO 0.04 -0.03 0.82 -0.89 1.01 0.00 0.00 176.35 177.30 2ka3 s THR 901 N 1.42 4.82 0.08 5.49 2.01 -1.26 -5.01 115.64 123.19 2ka3 s THR 901 Ca 0.11 1.72 -0.34 0.00 0.31 0.00 0.00 61.69 63.49 2ka3 s THR 901 Cb -0.15 -4.16 -0.18 0.00 0.01 0.00 0.00 72.50 68.02 2ka3 s THR 901 CO 0.07 0.28 1.60 1.23 -0.69 0.00 0.00 174.62 177.12 2ka3 h GLY 902 N 6.20 -1.07 -5.80 4.40 0.00 -2.00 -3.48 103.07 101.32 2ka3 h GLY 902 Ca -0.42 0.44 -0.31 0.00 0.00 0.00 0.00 47.33 47.04 2ka3 h GLY 902 CO 0.73 -0.38 -0.76 1.42 0.00 0.00 0.00 176.54 177.55 2ka3 n HIS 903 N -5.53 -1.47 0.81 5.60 8.25 -1.26 -4.86 115.22 116.75 2ka3 n HIS 903 Ca -0.13 0.61 0.10 0.00 -0.26 0.00 0.00 57.72 58.04 2ka3 n HIS 903 Cb 0.42 -1.59 0.47 0.00 1.12 0.00 0.00 29.99 30.41 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 -1.34 0.11 0.23 -0.41 1.85 -1.26 -3.67 116.66 112.17 2ka3 n ARG 904 Ca -0.17 0.13 0.16 0.00 -1.00 0.00 0.00 57.85 56.97 2ka3 n ARG 904 Cb 0.46 -1.50 0.59 0.00 -1.05 0.00 0.00 32.46 30.96 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 -3.49 115.15 115.43 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 -2.85 0.00 0.00 5.26 0.28 -1.24 -5.10 120.64 116.98 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 0.31 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.18 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 -0.48 0.00 -3.57 3.44 4.81 -1.26 -4.87 118.16 116.23 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 -0.01 5.30 -0.16 3.15 1.01 -1.26 -3.54 120.40 124.90 2ka3 s VAL 908 Ca 0.00 0.34 -0.04 0.00 0.00 0.00 0.00 61.98 62.27 2ka3 s VAL 908 Cb 0.00 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 2ka3 s VAL 908 CO 0.00 0.30 -0.02 -0.70 0.00 0.00 0.00 175.10 174.69 2ka3 s GLU 909 N 1.23 3.70 -0.24 2.72 2.56 -1.11 -4.41 118.70 123.14 2ka3 s GLU 909 Ca 0.11 -0.48 -0.05 0.00 0.00 0.00 0.00 54.97 54.55 2ka3 s GLU 909 Cb -0.14 -2.96 0.12 0.00 2.00 0.00 0.00 34.13 33.15 2ka3 s GLU 909 CO 0.06 0.27 0.46 0.00 -0.56 0.00 0.00 175.26 175.49 2ka3 s ALA 910 N 0.30 -1.41 -0.29 6.30 0.00 -1.26 -3.44 121.76 121.96 2ka3 s ALA 910 Ca -0.02 1.46 -0.26 0.00 0.00 0.00 0.00 51.96 53.14 2ka3 s ALA 910 Cb -0.14 -1.62 0.01 0.00 0.00 0.00 0.00 23.12 21.36 2ka3 s ALA 910 CO 0.02 -1.03 0.90 0.54 0.00 0.00 0.00 175.76 176.19 2ka3 s VAL 911 N 2.66 4.71 0.31 0.00 0.11 -1.26 -3.28 120.40 123.65 2ka3 s VAL 911 Ca 0.06 1.49 -0.29 0.00 -2.93 0.00 0.00 61.98 60.31 2ka3 s VAL 911 Cb -0.14 -4.23 -0.11 0.00 -1.53 0.00 0.00 36.38 30.37 2ka3 s VAL 911 CO -0.16 -0.28 1.48 -0.76 -3.33 0.00 0.00 175.10 172.05 2ka3 s LEU 912 N 3.15 4.36 0.08 2.54 1.43 -0.53 -3.96 118.68 125.75 2ka3 s LEU 912 Ca 0.38 2.87 0.08 0.00 -1.03 0.00 0.00 54.13 56.42 2ka3 s LEU 912 Cb -0.14 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 2ka3 s LEU 912 CO 0.12 -0.79 -0.18 -0.55 0.23 0.00 0.00 176.35 175.18 2ka3 s SER 913 N 0.11 3.85 0.23 2.29 0.15 -0.80 -3.03 113.70 116.49 2ka3 s SER 913 Ca 0.57 -0.50 -0.30 0.00 0.70 0.00 0.00 55.95 56.42 2ka3 s SER 913 Cb -0.45 -0.57 -0.09 0.00 -1.71 0.00 0.00 66.02 63.20 2ka3 s SER 913 CO 0.52 0.21 1.06 0.00 1.20 0.00 0.00 173.24 176.24 2ka3 s ARG 914 N -1.84 4.67 0.00 5.44 3.03 -1.26 -1.96 118.95 127.04 2ka3 s ARG 914 Ca 0.16 1.70 0.00 0.00 2.03 0.00 0.00 55.73 59.63 2ka3 s ARG 914 Cb -0.11 -3.24 0.00 0.00 -1.03 0.00 0.00 34.95 30.57 2ka3 s ARG 914 CO 0.08 0.23 0.00 0.45 -1.13 0.00 0.00 175.30 174.93 2ka3 n SER 915 N 1.66 -0.60 0.00 -2.89 2.88 -1.26 -4.73 113.62 108.68 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 0.46 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 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 -1.35 -3.46 3.02 -1.25 -5.17 115.26 107.05 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 -0.24 -2.79 0.00 3.52 6.02 -0.83 -4.94 117.38 118.13 2ka3 n GLN 917 Ca 0.00 2.02 0.00 0.00 -0.01 0.00 0.00 57.00 59.01 2ka3 n GLN 917 Cb 0.00 -3.38 0.00 0.00 1.02 0.00 0.00 30.24 27.88 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 -4.03 3.28 3.11 1.08 0.00 -1.26 -4.69 105.19 102.68 2ka3 n GLY 918 Ca -0.02 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 -9.04 -3.16 1.61 0.31 -1.26 -1.91 118.33 104.87 2ka3 n VAL 919 Ca 0.00 0.30 -0.41 0.00 -0.01 0.00 0.00 64.34 64.22 2ka3 n VAL 919 Cb 0.00 -6.23 -0.07 0.00 -0.91 0.00 0.00 33.84 26.63 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 -2.64 3.51 -0.19 3.52 0.00 -1.24 -3.75 121.76 120.97 2ka3 s ALA 920 Ca 0.16 -0.78 0.12 0.00 0.00 0.00 0.00 51.96 51.45 2ka3 s ALA 920 Cb -0.03 -3.06 -0.20 0.00 0.00 0.00 0.00 23.12 19.82 2ka3 s ALA 920 CO 0.79 -1.12 -0.01 2.89 0.00 0.00 0.00 175.76 178.30 2ka3 n ARG 921 N 5.84 0.93 -3.33 0.00 1.85 -1.26 -3.86 116.66 116.82 2ka3 n ARG 921 Ca -0.02 0.03 -0.46 0.00 -1.00 0.00 0.00 57.85 56.40 2ka3 n ARG 921 Cb 0.49 -1.46 -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 5.88 -0.12 8.89 1.01 -1.26 -4.38 120.40 127.98 2ka3 s VAL 922 Ca -0.15 -3.12 -0.16 0.00 0.00 0.00 0.00 61.98 58.55 2ka3 s VAL 922 Cb 0.06 -4.57 -0.05 0.00 0.00 0.00 0.00 36.38 31.83 2ka3 s VAL 922 CO 0.68 -1.14 0.39 -0.62 0.00 0.00 0.00 175.10 174.41 2ka3 s ASP 923 N 1.60 6.61 -0.13 3.32 2.15 -1.26 -4.22 116.67 124.74 2ka3 s ASP 923 Ca 0.27 0.72 -0.04 0.00 0.43 0.00 0.00 52.55 53.93 2ka3 s ASP 923 Cb -0.10 -2.24 0.06 0.00 -0.30 0.00 0.00 42.92 40.34 2ka3 s ASP 923 CO -0.08 0.09 0.17 -0.55 -0.17 0.00 0.00 175.17 174.62 2ka3 s SER 924 N 0.29 1.20 -1.01 -0.34 0.15 -1.22 -5.06 113.70 107.71 2ka3 s SER 924 Ca 0.22 0.01 -0.12 0.00 0.70 0.00 0.00 55.95 56.76 2ka3 s SER 924 Cb -0.14 0.22 0.23 0.00 -1.71 0.00 0.00 66.02 64.61 2ka3 s SER 924 CO 0.08 -0.29 1.05 -0.83 1.20 0.00 0.00 173.24 174.45 2ka3 s GLY 925 N 2.28 2.79 0.00 9.45 0.00 -1.26 -2.77 107.32 117.80 2ka3 s GLY 925 Ca 0.04 -3.49 0.17 0.00 0.00 0.00 0.00 44.72 41.44 2ka3 s GLY 925 CO -0.08 1.48 1.50 0.61 0.00 0.00 0.00 173.10 176.62 2ka3 n GLY 926 N 3.63 -0.91 0.00 0.20 0.00 -1.23 -5.05 105.19 101.83 2ka3 n GLY 926 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.35 0.00 -5.13 2.61 -1.04 -1.26 -4.26 114.28 103.85 2ka3 n THR 946 Ca 0.07 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.78 2ka3 n THR 946 Cb 0.15 0.00 -0.17 0.00 -1.82 0.00 0.00 70.33 68.50 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 2.02 0.09 -4.42 1.43 -1.26 -4.96 118.68 111.58 2ka3 s LEU 947 Ca 0.00 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 52.57 2ka3 s LEU 947 Cb 0.00 -1.27 -0.02 0.00 0.03 0.00 0.00 46.19 44.93 2ka3 s LEU 947 CO 0.00 0.19 0.12 -0.83 0.23 0.00 0.00 176.35 176.06 2ka3 s GLY 948 N 0.06 0.38 -0.10 -3.19 0.00 -1.26 -4.99 107.32 98.21 2ka3 s GLY 948 Ca -0.08 -0.95 0.04 0.00 0.00 0.00 0.00 44.72 43.73 2ka3 s GLY 948 CO 0.05 -1.04 -0.23 -1.34 0.00 0.00 0.00 173.10 170.53 2ka3 s VAL 949 N -3.92 2.01 0.03 1.40 -7.23 -1.26 -3.69 120.40 107.74 2ka3 s VAL 949 Ca 0.10 -0.99 0.01 0.00 -1.81 0.00 0.00 61.98 59.28 2ka3 s VAL 949 Cb 0.06 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 35.24 2ka3 s VAL 949 CO -0.08 0.55 -0.04 0.72 -0.31 0.00 0.00 175.10 175.94 2ka3 s PHE 950 N 0.34 0.41 -0.06 2.82 -0.12 -1.25 -5.05 117.98 115.07 2ka3 s PHE 950 Ca -0.18 -0.58 -0.01 0.00 -0.05 0.00 0.00 56.93 56.11 2ka3 s PHE 950 Cb -0.18 -0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 41.90 2ka3 s PHE 950 CO 0.09 -0.18 -0.06 0.43 -0.05 0.00 0.00 175.22 175.45 2ka3 n SER 951 N 1.38 2.53 -0.09 1.98 7.64 -1.26 -4.35 113.62 121.45 2ka3 n SER 951 Ca -0.22 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.49 2ka3 n SER 951 Cb 0.56 -0.13 -0.11 0.00 -1.01 0.00 0.00 64.21 63.52 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 -0.08 0.00 0.00 -3.43 5.85 -1.92 -3.46 115.31 112.27 2ka3 h LEU 952 Ca -0.14 -0.67 -0.12 0.00 0.84 0.00 0.00 57.88 57.79 2ka3 h LEU 952 Cb 1.19 0.00 0.04 0.00 0.37 0.00 0.00 40.66 42.26 2ka3 h LEU 952 CO -0.05 1.22 0.08 2.30 -0.34 0.00 0.00 178.44 181.65 2ka3 n ILE 953 N -4.53 0.00 -2.95 4.05 -5.35 -1.26 -4.39 119.36 104.94 2ka3 n ILE 953 Ca -0.21 -0.33 -0.02 0.00 -0.27 0.00 0.00 62.75 61.93 2ka3 n ILE 953 Cb 0.55 -1.62 0.00 0.00 -1.74 0.00 0.00 39.64 36.83 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 -1.49 -0.93 7.28 -0.00 -1.26 -4.94 118.68 117.35 2ka3 s LEU 954 Ca 0.19 -1.34 -0.24 0.00 -0.00 0.00 0.00 54.13 52.74 2ka3 s LEU 954 Cb -0.01 1.93 -0.01 0.00 -0.00 0.00 0.00 46.19 48.10 2ka3 s LEU 954 CO 0.13 -0.10 1.75 -2.16 -0.00 0.00 0.00 176.35 175.97 2ka3 s PRO 955 N 1.28 2.94 0.02 1.48 0.04 -1.26 -4.92 135.00 134.58 2ka3 s PRO 955 Ca 0.24 -0.55 0.08 0.00 0.04 0.00 0.00 61.00 60.82 2ka3 s PRO 955 Cb -0.02 -5.12 -0.02 0.00 0.04 0.00 0.00 34.50 29.38 2ka3 s PRO 955 CO -0.06 -2.90 -0.24 -0.51 0.04 0.00 0.00 177.00 173.33 2ka3 s LEU 956 N 8.11 2.11 0.28 -3.56 1.02 -1.26 -4.95 118.68 120.43 2ka3 s LEU 956 Ca 0.60 -0.51 0.02 0.00 0.02 0.00 0.00 54.13 54.26 2ka3 s LEU 956 Cb -0.05 -1.20 -0.03 0.00 0.02 0.00 0.00 46.19 44.93 2ka3 s LEU 956 CO -0.03 0.25 0.45 -1.10 0.02 0.00 0.00 176.35 175.95 2ka3 s GLN 957 N -0.93 3.48 -0.05 1.70 -0.21 -1.26 -5.00 119.66 117.39 2ka3 s GLN 957 Ca 0.10 -0.48 -0.30 0.00 0.02 0.00 0.00 55.36 54.70 2ka3 s GLN 957 Cb -0.09 -2.78 -0.05 0.00 1.00 0.00 0.00 33.01 31.09 2ka3 s GLN 957 CO 0.01 0.30 1.42 0.00 -2.12 0.00 0.00 175.29 174.89 2ka3 s ALA 958 N -2.10 3.60 0.00 6.09 0.00 -1.26 -2.97 121.76 125.12 2ka3 s ALA 958 Ca 0.38 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.13 2ka3 s ALA 958 Cb -0.10 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.40 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 1.38 3.67 0.00 0.00 -0.82 -5.04 105.19 108.10 2ka3 n GLY 959 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.57 1.97 -0.08 1.61 1.11 -1.16 -4.79 116.67 112.76 2ka3 s ASP 960 Ca 0.00 0.81 -0.04 0.00 0.18 0.00 0.00 52.55 53.50 2ka3 s ASP 960 Cb 0.00 -1.21 0.04 0.00 1.07 0.00 0.00 42.92 42.82 2ka3 s ASP 960 CO 0.00 -3.49 0.18 -0.89 1.18 0.00 0.00 175.17 172.15 2ka3 s THR 961 N -3.11 -0.12 0.04 -1.27 2.01 -1.26 -3.94 115.64 107.99 2ka3 s THR 961 Ca 0.68 0.22 -0.04 0.00 0.31 0.00 0.00 61.69 62.86 2ka3 s THR 961 Cb -0.13 -0.30 -0.05 0.00 0.01 0.00 0.00 72.50 72.03 2ka3 s THR 961 CO 0.56 0.09 0.26 0.68 -0.69 0.00 0.00 174.62 175.52 2ka3 s VAL 962 N 1.54 5.32 -0.04 3.82 -7.23 -1.24 -4.30 120.40 118.27 2ka3 s VAL 962 Ca -0.06 -0.06 -0.03 0.00 -1.81 0.00 0.00 61.98 60.02 2ka3 s VAL 962 Cb -0.11 -3.59 0.01 0.00 0.56 0.00 0.00 36.38 33.25 2ka3 s VAL 962 CO -0.07 0.24 0.09 0.00 -0.31 0.00 0.00 175.10 175.05 2ka3 s VAL 964 N 0.29 5.17 -0.15 0.00 1.01 -1.26 -1.46 120.40 124.00 2ka3 s VAL 964 Ca -0.02 0.98 -0.05 0.00 0.00 0.00 0.00 61.98 62.89 2ka3 s VAL 964 Cb -0.03 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 2ka3 s VAL 964 CO -0.01 0.30 0.00 -0.62 0.00 0.00 0.00 175.10 174.77 2ka3 s ASP 965 N 0.72 5.17 -0.51 3.32 -1.08 -1.21 -4.91 116.67 118.18 2ka3 s ASP 965 Ca 0.26 -0.00 0.06 0.00 -0.52 0.00 0.00 52.55 52.35 2ka3 s ASP 965 Cb -0.15 -1.79 0.23 0.00 -1.46 0.00 0.00 42.92 39.75 2ka3 s ASP 965 CO 0.10 0.21 0.56 -0.11 0.52 0.00 0.00 175.17 176.46 2ka3 n LEU 966 N 3.25 1.53 -3.15 -1.34 7.94 -1.26 -3.99 117.00 119.98 2ka3 n LEU 966 Ca -0.17 -4.94 0.04 0.00 -1.11 0.00 0.00 56.01 49.83 2ka3 n LEU 966 Cb 0.53 0.05 -0.00 0.00 0.53 0.00 0.00 43.42 44.53 2ka3 n LEU 966 CO 0.33 2.00 0.17 -0.69 -1.11 0.00 0.00 177.39 178.09 2ka3 s VAL 967 N -1.42 -0.89 -0.46 1.96 1.01 -1.26 -5.05 120.40 114.28 2ka3 s VAL 967 Ca 0.35 0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.40 2ka3 s VAL 967 Cb 0.12 -0.90 0.23 0.00 0.00 0.00 0.00 36.38 35.82 2ka3 s VAL 967 CO -0.10 0.00 0.71 0.23 0.00 0.00 0.00 175.10 175.94 2ka3 n MET 968 N 5.38 0.66 0.00 2.72 2.81 -1.26 -5.04 117.12 122.39 2ka3 n MET 968 Ca 0.05 -2.31 0.00 0.00 -1.81 0.00 0.00 57.70 53.62 2ka3 n MET 968 Cb 0.54 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.63 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 1.95 3.27 0.02 3.03 0.00 -1.26 -4.23 105.19 107.98 2ka3 n GLY 969 Ca 0.16 -1.69 -0.02 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.37 2.69 -3.05 1.61 7.27 -1.26 -4.80 117.38 119.47 2ka3 n GLN 970 Ca 0.00 -0.01 -0.45 0.00 0.07 0.00 0.00 57.00 56.61 2ka3 n GLN 970 Cb 0.00 -1.13 -0.02 0.00 2.41 0.00 0.00 30.24 31.50 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 -4.23 5.52 0.00 1.69 2.96 -1.26 -4.89 118.68 118.47 2ka3 s LEU 971 Ca -0.03 -2.59 0.00 0.00 -0.22 0.00 0.00 54.13 51.29 2ka3 s LEU 971 Cb 0.02 -2.34 0.00 0.00 0.50 0.00 0.00 46.19 44.37 2ka3 s LEU 971 CO 0.22 -0.80 0.00 0.00 -1.32 0.00 0.00 176.35 174.45 2ka3 n ALA 972 N 5.39 0.00 -2.48 5.97 0.00 -1.26 -5.15 120.51 122.98 2ka3 n ALA 972 Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.46 2ka3 n ALA 972 Cb 0.46 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.80 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 0.19 2.10 -0.17 0.00 2.46 -1.26 -5.14 115.29 113.47 2ka3 s HIS 973 Ca 0.00 -0.73 -0.07 0.00 0.47 0.00 0.00 55.06 54.73 2ka3 s HIS 973 Cb 0.00 -1.30 -0.04 0.00 -0.13 0.00 0.00 32.58 31.11 2ka3 s HIS 973 CO 0.00 0.28 0.06 0.45 -2.47 0.00 0.00 174.74 173.06 2ka3 s SER 974 N -3.52 5.66 0.07 9.88 0.15 -1.26 -5.08 113.70 119.59 2ka3 s SER 974 Ca 0.33 0.12 -0.23 0.00 0.70 0.00 0.00 55.95 56.86 2ka3 s SER 974 Cb 0.06 -1.93 0.06 0.00 -1.71 0.00 0.00 66.02 62.50 2ka3 s SER 974 CO 0.14 0.21 0.55 -1.83 1.20 0.00 0.00 173.24 173.52 2ka3 s GLU 975 N 0.15 1.11 -0.18 5.44 1.03 -1.26 -5.15 118.70 119.84 2ka3 s GLU 975 Ca 0.05 -0.27 -0.00 0.00 0.03 0.00 0.00 54.97 54.78 2ka3 s GLU 975 Cb -0.12 0.51 0.04 0.00 -0.80 0.00 0.00 34.13 33.76 2ka3 s GLU 975 CO 0.01 -0.42 -0.07 -1.83 -1.33 0.00 0.00 175.26 171.61 2ka3 s GLU 976 N -2.72 1.66 0.48 -4.83 4.04 -1.26 -5.15 118.70 110.92 2ka3 s GLU 976 Ca -0.04 -0.64 0.08 0.00 0.04 0.00 0.00 54.97 54.42 2ka3 s GLU 976 Cb -0.00 -2.16 0.04 0.00 0.02 0.00 0.00 34.13 32.03 2ka3 s GLU 976 CO -0.04 -0.43 0.65 -1.25 -1.84 0.00 0.00 175.26 172.36 2ka3 s PRO 977 N 1.55 2.64 -0.03 -4.83 0.04 -1.26 -5.11 135.00 127.99 2ka3 s PRO 977 Ca 0.00 -1.36 0.05 0.00 0.04 0.00 0.00 61.00 59.73 2ka3 s PRO 977 Cb -0.16 -2.71 -0.03 0.00 0.04 0.00 0.00 34.50 31.65 2ka3 s PRO 977 CO -0.08 -0.49 -0.17 -0.51 0.04 0.00 0.00 177.00 175.79 2ka3 s LEU 978 N -4.47 2.58 -0.00 -3.56 1.02 -1.26 -4.89 118.68 108.10 2ka3 s LEU 978 Ca 0.57 -0.29 0.01 0.00 0.02 0.00 0.00 54.13 54.44 2ka3 s LEU 978 Cb -0.09 -1.51 -0.00 0.00 0.02 0.00 0.00 46.19 44.61 2ka3 s LEU 978 CO 0.35 0.32 -0.02 0.42 0.02 0.00 0.00 176.35 177.44 2ka3 s THR 979 N -0.75 0.18 -0.11 5.49 -4.23 -1.26 -4.92 115.64 110.05 2ka3 s THR 979 Ca 0.12 -0.12 0.02 0.00 -1.18 0.00 0.00 61.69 60.52 2ka3 s THR 979 Cb -0.10 -0.16 -0.01 0.00 1.34 0.00 0.00 72.50 73.56 2ka3 s THR 979 CO 0.01 0.03 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.31 2ka3 s ILE 980 N -0.10 2.62 -0.27 2.99 -1.09 -1.26 -4.38 121.20 119.72 2ka3 s ILE 980 Ca 0.00 -0.82 0.01 0.00 -2.23 0.00 0.00 60.65 57.61 2ka3 s ILE 980 Cb -0.01 -2.06 0.08 0.00 -1.58 0.00 0.00 42.46 38.89 2ka3 s ILE 980 CO -0.00 0.54 -0.00 0.12 -1.23 0.00 0.00 174.94 174.37 2ka3 s PHE 981 N 0.25 2.45 0.25 3.97 2.19 -1.22 -3.21 117.98 122.65 2ka3 s PHE 981 Ca -0.12 -1.94 0.05 0.00 0.33 0.00 0.00 56.93 55.25 2ka3 s PHE 981 Cb -0.16 -1.83 -0.03 0.00 -1.31 0.00 0.00 43.02 39.69 2ka3 s PHE 981 CO 0.07 -0.82 0.36 -1.54 1.83 0.00 0.00 175.22 175.11 2ka3 s SER 982 N 1.37 6.25 -0.30 6.13 1.04 -1.22 -2.21 113.70 124.76 2ka3 s SER 982 Ca 0.01 0.04 -0.18 0.00 0.48 0.00 0.00 55.95 56.29 2ka3 s SER 982 Cb -0.18 -1.80 0.17 0.00 0.10 0.00 0.00 66.02 64.31 2ka3 s SER 982 CO -0.10 -0.09 1.23 -0.83 0.98 0.00 0.00 173.24 174.42 2ka3 s GLY 983 N -3.98 -0.10 0.03 7.32 0.00 -0.70 -3.78 107.32 106.11 2ka3 s GLY 983 Ca 0.35 3.13 0.09 0.00 0.00 0.00 0.00 44.72 48.28 2ka3 s GLY 983 CO 0.29 3.98 -0.25 0.00 0.00 0.00 0.00 173.10 177.12 2ka3 s ALA 984 N 2.99 2.29 -0.01 3.20 0.00 -0.78 -2.59 121.76 126.86 2ka3 s ALA 984 Ca -0.09 -1.23 -0.30 0.00 0.00 0.00 0.00 51.96 50.34 2ka3 s ALA 984 Cb -0.08 -0.53 -0.05 0.00 0.00 0.00 0.00 23.12 22.46 2ka3 s ALA 984 CO -0.07 0.54 1.28 -1.17 0.00 0.00 0.00 175.76 176.34 2ka3 s LEU 985 N -1.16 4.31 -0.19 0.00 2.96 -1.24 -1.56 118.68 121.80 2ka3 s LEU 985 Ca 0.12 1.96 -0.15 0.00 -0.22 0.00 0.00 54.13 55.84 2ka3 s LEU 985 Cb -0.10 -3.56 -0.07 0.00 0.50 0.00 0.00 46.19 42.95 2ka3 s LEU 985 CO 0.02 -0.62 -0.26 -0.11 -1.32 0.00 0.00 176.35 174.05 2ka3 n LEU 986 N 5.06 1.91 -3.95 -0.68 7.94 -1.14 -4.90 117.00 121.24 2ka3 n LEU 986 Ca 0.11 0.41 -0.23 0.00 -1.11 0.00 0.00 56.01 55.20 2ka3 n LEU 986 Cb 0.45 -0.80 -0.17 0.00 0.53 0.00 0.00 43.42 43.43 2ka3 n LEU 986 CO 0.57 -0.12 -0.44 -0.47 -1.11 0.00 0.00 177.39 175.81 2ka3 s TYR 987 N -2.63 1.18 -0.16 1.96 5.04 -0.55 -5.03 117.35 117.15 2ka3 s TYR 987 Ca -0.27 -0.44 -0.14 0.00 -2.44 0.00 0.00 57.07 53.78 2ka3 s TYR 987 Cb 0.06 -0.94 -0.05 0.00 0.35 0.00 0.00 41.96 41.38 2ka3 s TYR 987 CO 0.40 -0.29 0.30 0.20 -1.34 0.00 0.00 175.55 174.83 2ka3 s GLY 988 N 0.98 2.22 0.08 8.97 0.00 -1.26 -1.41 107.32 116.90 2ka3 s GLY 988 Ca -0.09 -0.44 -0.31 0.00 0.00 0.00 0.00 44.72 43.88 2ka3 s GLY 988 CO 0.00 0.46 1.38 0.99 0.00 0.00 0.00 173.10 175.93 2ka3 s ASP 989 N 0.50 6.85 -0.95 1.64 1.01 -1.18 -4.96 116.67 119.57 2ka3 s ASP 989 Ca 0.17 2.25 -0.04 0.00 0.71 0.00 0.00 52.55 55.63 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 -0.66 0.88 -2.16 0.21 0.00 0.00 175.17 173.48 2ka3 s PRO 990 N 1.45 3.56 0.00 8.23 0.04 -1.26 -4.83 135.00 142.19 2ka3 s PRO 990 Ca 0.64 -3.22 0.00 0.00 0.04 0.00 0.00 61.00 58.46 2ka3 s PRO 990 Cb -0.35 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.03 2ka3 s PRO 990 CO 0.29 -1.25 0.00 0.39 0.04 0.00 0.00 177.00 176.47 2ka3 n GLU 991 N 2.53 0.00 -3.77 4.56 1.02 -1.26 -4.80 120.64 118.92 2ka3 n GLU 991 Ca 0.22 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 57.06 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 -1.96 -4.39 -4.62 4.77 -1.26 -4.99 117.00 104.54 2ka3 n LEU 992 Ca 0.00 -0.68 -0.33 0.00 -0.03 0.00 0.00 56.01 54.97 2ka3 n LEU 992 Cb 0.00 -2.29 -0.14 0.00 -2.33 0.00 0.00 43.42 38.66 2ka3 n LEU 992 CO 0.00 0.30 -0.47 -1.61 -1.33 0.00 0.00 177.39 174.28 2ka3 s GLU 993 N -6.46 2.98 -0.22 3.23 2.02 -1.26 -5.09 118.70 113.91 2ka3 s GLU 993 Ca 0.58 -0.72 -0.01 0.00 0.02 0.00 0.00 54.97 54.85 2ka3 s GLU 993 Cb -0.30 -2.48 0.06 0.00 0.10 0.00 0.00 34.13 31.50 2ka3 s GLU 993 CO 0.72 0.37 -0.02 -1.01 0.02 0.00 0.00 175.26 175.34 2ka3 s HIS 994 N -0.07 1.85 0.00 1.61 3.76 -1.26 -5.25 115.29 115.93 2ka3 s HIS 994 Ca -0.03 -1.40 0.00 0.00 -0.15 0.00 0.00 55.06 53.48 2ka3 s HIS 994 Cb -0.14 -1.36 0.00 0.00 1.11 0.00 0.00 32.58 32.19 2ka3 s HIS 994 CO 0.04 -0.71 0.00 0.00 -0.85 0.00 0.00 174.74 173.22