#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oii s VAL 847 N 0.00 1.29 0.18 0.52 1.01 -1.26 -4.98 120.40 117.17 2oii s VAL 847 Ca 0.00 -1.34 0.31 0.00 0.00 0.00 0.00 61.98 60.95 2oii s VAL 847 Cb 0.00 -1.78 0.35 0.00 0.00 0.00 0.00 36.38 34.95 2oii s VAL 847 CO 0.00 -0.37 1.98 1.55 0.00 0.00 0.00 175.10 178.26 2oii h PRO 848 N 7.99 0.00 -6.02 2.72 0.13 -2.01 -3.47 132.00 131.34 2oii h PRO 848 Ca -0.14 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.82 2oii h PRO 848 Cb 1.05 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 2oii h PRO 848 CO 0.43 0.07 -0.35 0.94 -0.23 0.00 0.00 178.00 178.86 2oii n GLN 849 N -3.22 -0.57 -5.22 0.86 7.27 -1.26 -4.92 117.38 110.32 2oii n GLN 849 Ca 0.00 0.09 -0.32 0.00 0.07 0.00 0.00 57.00 56.84 2oii n GLN 849 Cb 0.31 -0.57 -0.16 0.00 2.41 0.00 0.00 30.24 32.23 2oii n GLN 849 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2oii s VAL 850 N -2.89 2.15 0.09 1.69 1.01 -1.26 -5.10 120.40 116.09 2oii s VAL 850 Ca 0.04 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 61.04 2oii s VAL 850 Cb -0.02 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 2oii s VAL 850 CO 0.30 0.57 -0.12 0.00 0.00 0.00 0.00 175.10 175.85 2oii s ALA 851 N -0.12 1.16 -0.22 5.51 0.00 -1.26 -3.10 121.76 123.73 2oii s ALA 851 Ca -0.05 -1.14 -0.18 0.00 0.00 0.00 0.00 51.96 50.60 2oii s ALA 851 Cb -0.14 -0.02 0.06 0.00 0.00 0.00 0.00 23.12 23.02 2oii s ALA 851 CO 0.04 0.03 0.57 -0.59 0.00 0.00 0.00 175.76 175.81 2oii s PHE 852 N -2.05 -0.70 -0.29 0.00 -0.12 -1.15 -3.87 117.98 109.80 2oii s PHE 852 Ca 0.03 1.60 -0.19 0.00 -0.05 0.00 0.00 56.93 58.32 2oii s PHE 852 Cb -0.05 0.29 0.16 0.00 -0.63 0.00 0.00 43.02 42.79 2oii s PHE 852 CO 0.01 -0.35 1.12 0.45 -0.05 0.00 0.00 175.22 176.40 2oii s SER 853 N 0.70 -0.33 0.07 1.98 0.15 -0.50 -1.95 113.70 113.82 2oii s SER 853 Ca -0.03 0.55 0.02 0.00 0.70 0.00 0.00 55.95 57.19 2oii s SER 853 Cb -0.05 0.96 -0.03 0.00 -1.71 0.00 0.00 66.02 65.19 2oii s SER 853 CO -0.05 -0.09 -0.07 0.00 1.20 0.00 0.00 173.24 174.23 2oii s ALA 854 N 0.89 0.74 0.00 5.45 0.00 -1.19 -3.47 121.76 124.18 2oii s ALA 854 Ca -0.04 -1.01 0.07 0.00 0.00 0.00 0.00 51.96 50.98 2oii s ALA 854 Cb -0.04 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 2oii s ALA 854 CO -0.12 -0.11 -0.22 0.00 0.00 0.00 0.00 175.76 175.30 2oii s ALA 855 N -2.33 1.86 -0.08 0.00 0.00 -1.05 -3.50 121.76 116.65 2oii s ALA 855 Ca -0.01 -1.00 -0.00 0.00 0.00 0.00 0.00 51.96 50.95 2oii s ALA 855 Cb -0.04 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 2oii s ALA 855 CO -0.02 0.45 -0.06 -1.17 0.00 0.00 0.00 175.76 174.96 2oii s LEU 856 N -0.71 3.20 0.00 0.00 1.98 -1.26 -2.39 118.68 119.50 2oii s LEU 856 Ca 0.09 -0.03 0.00 0.00 -2.89 0.00 0.00 54.13 51.29 2oii s LEU 856 Cb -0.09 -1.71 0.00 0.00 0.66 0.00 0.00 46.19 45.05 2oii s LEU 856 CO -0.00 0.33 0.60 -1.54 -1.89 0.00 0.00 176.35 173.85 2oii n SER 857 N 2.44 0.00 -2.88 3.68 3.41 -1.26 -4.83 113.62 114.18 2oii n SER 857 Ca -0.18 -1.19 -0.26 0.00 -0.26 0.00 0.00 58.87 56.98 2oii n SER 857 Cb 0.53 -0.04 0.03 0.00 -0.26 0.00 0.00 64.21 64.47 2oii n SER 857 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2oii n LEU 858 N 0.00 -4.15 0.00 1.04 -0.00 -1.26 -4.95 117.00 107.68 2oii n LEU 858 Ca 0.00 0.16 0.00 0.00 -0.00 0.00 0.00 56.01 56.17 2oii n LEU 858 Cb 0.54 -0.55 0.00 0.00 -0.00 0.00 0.00 43.42 43.41 2oii n LEU 858 CO 0.00 -4.24 0.01 -0.81 -0.00 0.00 0.00 177.39 172.35 2oii n PRO 859 N 1.71 0.00 0.00 1.47 -0.04 -1.26 -5.04 135.00 131.85 2oii n PRO 859 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2oii n PRO 859 Cb 0.39 -0.50 0.00 0.00 -0.04 0.00 0.00 33.50 33.36 2oii n PRO 859 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2oii n ARG 860 N -0.02 1.94 -1.39 0.54 1.85 -1.26 -5.06 116.66 113.26 2oii n ARG 860 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 57.85 56.31 2oii n ARG 860 Cb 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.33 2oii n ARG 860 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2oii n SER 861 N 0.00 0.86 -4.89 2.89 7.64 -1.26 -4.95 113.62 113.92 2oii n SER 861 Ca 0.00 0.96 -0.22 0.00 1.01 0.00 0.00 58.87 60.61 2oii n SER 861 Cb 0.00 -0.71 -0.03 0.00 -1.01 0.00 0.00 64.21 62.45 2oii n SER 861 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2oii s GLU 862 N 2.14 3.17 0.29 1.43 2.02 -1.26 -4.99 118.70 121.50 2oii s GLU 862 Ca 0.83 -0.88 0.25 0.00 0.02 0.00 0.00 54.97 55.19 2oii s GLU 862 Cb -1.19 -2.74 1.02 0.00 0.10 0.00 0.00 34.13 31.32 2oii s GLU 862 CO 0.64 0.43 1.74 -1.00 0.02 0.00 0.00 175.26 177.09 2oii h PRO 863 N 1.54 0.00 0.00 0.39 0.13 -2.05 -3.47 132.00 128.54 2oii h PRO 863 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2oii h PRO 863 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2oii h PRO 863 CO 0.62 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.80 2oii n GLY 864 N 0.03 1.08 3.77 1.56 0.00 -1.26 -5.15 105.19 105.23 2oii n GLY 864 Ca 0.02 0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2oii n GLY 864 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oii s THR 865 N 1.29 3.22 -0.01 2.61 2.01 -1.26 -5.00 115.64 118.49 2oii s THR 865 Ca 0.00 0.54 -0.18 0.00 0.31 0.00 0.00 61.69 62.36 2oii s THR 865 Cb 0.00 -3.05 -0.05 0.00 0.01 0.00 0.00 72.50 69.41 2oii s THR 865 CO 0.00 -0.38 0.49 0.68 -0.69 0.00 0.00 174.62 174.72 2oii s VAL 866 N -2.43 4.98 0.00 3.82 -7.23 -1.26 -5.08 120.40 113.20 2oii s VAL 866 Ca 0.66 1.01 0.00 0.00 -1.81 0.00 0.00 61.98 61.85 2oii s VAL 866 Cb -0.20 -3.81 0.00 0.00 0.56 0.00 0.00 36.38 32.92 2oii s VAL 866 CO 0.44 0.49 0.00 -0.81 -0.31 0.00 0.00 175.10 174.91 2oii n PRO 867 N 2.39 3.37 -3.67 4.82 -0.04 -1.26 -4.82 135.00 135.80 2oii n PRO 867 Ca -0.10 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.24 2oii n PRO 867 Cb 0.52 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.85 2oii n PRO 867 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2oii s PHE 868 N 1.28 -0.51 -0.94 0.54 -0.71 -1.26 -4.70 117.98 111.67 2oii s PHE 868 Ca 0.00 1.10 0.09 0.00 -1.04 0.00 0.00 56.93 57.08 2oii s PHE 868 Cb 0.00 0.06 0.02 0.00 -1.21 0.00 0.00 43.02 41.89 2oii s PHE 868 CO 0.00 -0.37 0.66 -0.40 -1.34 0.00 0.00 175.22 173.76 2oii n ASP 869 N 5.23 1.32 -4.44 1.98 5.75 -1.23 -4.87 116.55 120.29 2oii n ASP 869 Ca -0.09 -1.16 -0.44 0.00 -0.01 0.00 0.00 54.79 53.09 2oii n ASP 869 Cb 0.50 0.35 -0.02 0.00 -1.03 0.00 0.00 41.12 40.92 2oii n ASP 869 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2oii s ARG 870 N -1.17 3.68 -0.80 0.11 1.81 -1.00 -4.97 118.95 116.60 2oii s ARG 870 Ca 0.09 -1.95 -0.26 0.00 -1.72 0.00 0.00 55.73 51.89 2oii s ARG 870 Cb 0.08 -4.90 0.01 0.00 -0.45 0.00 0.00 34.95 29.69 2oii s ARG 870 CO 0.21 -1.73 1.53 0.08 -0.68 0.00 0.00 175.30 174.71 2oii s VAL 871 N 2.29 3.65 -0.12 3.52 1.01 -1.26 -2.54 120.40 126.96 2oii s VAL 871 Ca 0.33 -0.01 -0.16 0.00 0.00 0.00 0.00 61.98 62.15 2oii s VAL 871 Cb -0.05 -4.62 -0.26 0.00 0.00 0.00 0.00 36.38 31.45 2oii s VAL 871 CO -0.08 -1.55 0.49 -0.07 0.00 0.00 0.00 175.10 173.89 2oii h LEU 872 N 14.35 0.33 -6.00 3.92 3.38 -1.93 -3.48 115.31 125.88 2oii h LEU 872 Ca -0.12 -0.82 0.22 0.00 0.09 0.00 0.00 57.88 57.24 2oii h LEU 872 Cb 1.06 -0.11 -0.21 0.00 0.09 0.00 0.00 40.66 41.50 2oii h LEU 872 CO 1.29 1.62 0.06 -0.22 0.09 0.00 0.00 178.44 181.28 2oii s LEU 873 N -7.53 -0.56 0.00 1.67 2.96 -1.23 -5.03 118.68 108.96 2oii s LEU 873 Ca -0.21 0.28 0.00 0.00 -0.22 0.00 0.00 54.13 53.97 2oii s LEU 873 Cb 0.05 1.44 0.00 0.00 0.50 0.00 0.00 46.19 48.18 2oii s LEU 873 CO 0.74 -0.10 0.00 -0.46 -1.32 0.00 0.00 176.35 175.21 2oii n ASN 874 N 5.40 0.00 -0.02 3.68 6.94 -1.25 -1.40 115.26 128.60 2oii n ASN 874 Ca -0.03 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.40 2oii n ASN 874 Cb 0.54 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.87 2oii n ASN 874 CO 0.00 0.00 0.00 -2.24 -1.03 0.00 0.00 177.26 173.99 2oii h ASP 875 N 0.00 0.08 0.85 0.53 2.03 -2.00 -3.21 116.42 114.70 2oii h ASP 875 Ca 0.00 -0.48 -0.09 0.00 -0.73 0.00 0.00 57.03 55.73 2oii h ASP 875 Cb 0.00 -0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 38.46 2oii h ASP 875 CO 0.00 0.55 -0.44 1.23 -1.03 0.00 0.00 179.24 179.55 2oii h GLY 876 N -0.38 0.00 0.00 7.15 0.00 -1.98 -3.46 103.07 104.40 2oii h GLY 876 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2oii h GLY 876 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 2oii n GLY 877 N 0.31 1.68 5.00 4.60 0.00 -1.22 -4.83 105.19 110.74 2oii n GLY 877 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2oii n GLY 877 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2oii n TYR 878 N 0.00 0.00 -3.75 1.61 4.01 -1.26 -4.68 117.16 113.09 2oii n TYR 878 Ca 0.00 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.37 2oii n TYR 878 Cb 0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 38.91 2oii n TYR 878 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 2oii s TYR 879 N 0.00 3.41 -0.27 -0.72 1.13 -1.26 -3.41 117.35 116.22 2oii s TYR 879 Ca 0.00 -1.93 -0.29 0.00 -1.41 0.00 0.00 57.07 53.44 2oii s TYR 879 Cb 0.00 -2.80 -0.02 0.00 -1.10 0.00 0.00 41.96 38.04 2oii s TYR 879 CO 0.00 -0.87 1.65 -0.51 -2.51 0.00 0.00 175.55 173.30 2oii s ASP 880 N 1.74 6.23 0.00 -0.18 1.01 -1.17 -4.85 116.67 119.44 2oii s ASP 880 Ca 0.03 1.44 0.28 0.00 0.71 0.00 0.00 52.55 55.01 2oii s ASP 880 Cb -0.22 -2.53 1.55 0.00 1.01 0.00 0.00 42.92 42.73 2oii s ASP 880 CO -0.01 -1.41 2.01 -0.81 0.21 0.00 0.00 175.17 175.16 2oii n PRO 881 N 7.94 0.62 0.09 8.23 -0.04 -1.26 0.16 135.00 150.72 2oii n PRO 881 Ca 0.20 0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.54 2oii n PRO 881 Cb 0.46 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 2oii n PRO 881 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2oii h GLU 882 N 0.00 0.29 0.00 0.54 5.08 -1.89 -3.32 114.58 115.29 2oii h GLU 882 Ca 0.00 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2oii h GLU 882 Cb 0.15 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2oii h GLU 882 CO 0.00 1.11 -1.30 0.25 -1.00 0.00 0.00 179.01 178.06 2oii n THR 883 N -3.63 0.00 -0.99 1.13 -2.24 -1.17 -4.99 114.28 102.38 2oii n THR 883 Ca -0.06 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2oii n THR 883 Cb 0.90 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 2oii n THR 883 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oii n GLY 884 N 1.93 0.78 3.55 3.38 0.00 0.41 -4.91 105.19 110.34 2oii n GLY 884 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 2oii n GLY 884 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oii s VAL 885 N -3.13 3.54 -0.54 1.61 1.01 -1.07 -4.53 120.40 117.29 2oii s VAL 885 Ca 0.00 -0.11 -0.22 0.00 0.00 0.00 0.00 61.98 61.64 2oii s VAL 885 Cb 0.00 -4.32 0.05 0.00 0.00 0.00 0.00 36.38 32.10 2oii s VAL 885 CO 0.00 -1.26 0.84 0.12 0.00 0.00 0.00 175.10 174.80 2oii s PHE 886 N 8.12 2.87 -0.56 5.22 2.19 -1.24 -3.05 117.98 131.53 2oii s PHE 886 Ca 0.59 -0.19 -0.17 0.00 0.33 0.00 0.00 56.93 57.49 2oii s PHE 886 Cb -0.08 -3.91 0.12 0.00 -1.31 0.00 0.00 43.02 37.84 2oii s PHE 886 CO 0.08 -1.26 0.57 0.99 1.83 0.00 0.00 175.22 177.43 2oii s THR 887 N 3.53 5.07 -0.46 0.12 2.01 -1.22 -3.49 115.64 121.20 2oii s THR 887 Ca 0.25 -1.29 -0.16 0.00 0.31 0.00 0.00 61.69 60.81 2oii s THR 887 Cb -0.15 -4.38 0.06 0.00 0.01 0.00 0.00 72.50 68.03 2oii s THR 887 CO 0.17 -0.95 0.40 0.00 -0.69 0.00 0.00 174.62 173.54 2oii s ALA 888 N 2.01 3.52 -0.80 7.40 0.00 -1.23 -4.62 121.76 128.03 2oii s ALA 888 Ca 0.06 -1.95 0.24 0.00 0.00 0.00 0.00 51.96 50.31 2oii s ALA 888 Cb -0.28 -3.05 0.36 0.00 0.00 0.00 0.00 23.12 20.15 2oii s ALA 888 CO 0.04 -1.68 1.31 -0.35 0.00 0.00 0.00 175.76 175.08 2oii n PRO 889 N 5.30 0.16 -0.30 0.00 -0.04 -1.26 -1.31 135.00 137.56 2oii n PRO 889 Ca -0.11 0.03 0.05 0.00 -0.04 0.00 0.00 63.50 63.43 2oii n PRO 889 Cb 0.45 -1.58 0.11 0.00 -0.04 0.00 0.00 33.50 32.44 2oii n PRO 889 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2oii n LEU 890 N -1.81 -0.30 -2.84 1.53 4.77 -1.26 -4.87 117.00 112.22 2oii n LEU 890 Ca 0.04 1.41 -0.02 0.00 -0.03 0.00 0.00 56.01 57.41 2oii n LEU 890 Cb 0.39 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 2oii n LEU 890 CO 0.36 -1.35 -0.44 0.00 -1.33 0.00 0.00 177.39 174.63 2oii n ALA 891 N -3.69 -2.72 0.00 -1.18 0.00 -1.26 -4.63 120.51 107.03 2oii n ALA 891 Ca 0.13 1.03 0.00 0.00 0.00 0.00 0.00 53.44 54.60 2oii n ALA 891 Cb 0.41 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.63 2oii n ALA 891 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oii n GLY 892 N 1.64 -0.26 3.41 0.00 0.00 -1.26 -2.02 105.19 106.69 2oii n GLY 892 Ca -0.16 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.63 2oii n GLY 892 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2oii s ARG 893 N -2.00 3.51 0.11 1.61 3.52 -0.70 -4.93 118.95 120.06 2oii s ARG 893 Ca 0.00 -0.60 0.05 0.00 -0.13 0.00 0.00 55.73 55.05 2oii s ARG 893 Cb 0.00 -2.84 -0.04 0.00 -1.56 0.00 0.00 34.95 30.51 2oii s ARG 893 CO 0.00 0.13 -0.13 -0.47 -0.81 0.00 0.00 175.30 174.01 2oii s TYR 894 N 0.62 1.31 -0.36 5.12 5.04 -1.26 -2.14 117.35 125.68 2oii s TYR 894 Ca -0.04 -0.55 -0.16 0.00 -2.44 0.00 0.00 57.07 53.87 2oii s TYR 894 Cb -0.15 -0.70 -0.00 0.00 0.35 0.00 0.00 41.96 41.46 2oii s TYR 894 CO 0.03 0.10 0.40 -1.17 -1.34 0.00 0.00 175.55 173.57 2oii s LEU 895 N -2.32 4.52 -0.03 6.97 2.96 -0.97 -4.72 118.68 125.09 2oii s LEU 895 Ca 0.06 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 2oii s LEU 895 Cb -0.05 -2.38 -0.03 0.00 0.50 0.00 0.00 46.19 44.22 2oii s LEU 895 CO 0.02 -0.41 -0.04 -0.22 -1.32 0.00 0.00 176.35 174.38 2oii s LEU 896 N 2.10 3.32 -0.18 -0.68 0.20 -1.26 -2.11 118.68 120.06 2oii s LEU 896 Ca 0.13 -0.03 -0.04 0.00 0.69 0.00 0.00 54.13 54.88 2oii s LEU 896 Cb -0.16 -1.83 0.09 0.00 -0.43 0.00 0.00 46.19 43.85 2oii s LEU 896 CO 0.12 0.32 0.29 -0.44 -0.29 0.00 0.00 176.35 176.36 2oii s SER 897 N -1.20 0.52 0.04 3.68 0.01 -1.16 -4.90 113.70 110.70 2oii s SER 897 Ca 0.16 0.36 0.03 0.00 1.31 0.00 0.00 55.95 57.80 2oii s SER 897 Cb -0.11 0.78 -0.04 0.00 0.21 0.00 0.00 66.02 66.86 2oii s SER 897 CO 0.06 -0.27 0.01 0.00 0.41 0.00 0.00 173.24 173.45 2oii s ALA 898 N 2.44 3.34 -0.26 1.44 0.00 -1.26 -3.36 121.76 124.10 2oii s ALA 898 Ca 0.05 -1.01 -0.18 0.00 0.00 0.00 0.00 51.96 50.82 2oii s ALA 898 Cb -0.14 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 2oii s ALA 898 CO -0.11 0.68 0.50 0.08 0.00 0.00 0.00 175.76 176.91 2oii s VAL 899 N -1.21 5.08 -0.40 0.00 1.01 -1.19 -5.04 120.40 118.66 2oii s VAL 899 Ca 0.23 0.85 -0.21 0.00 0.00 0.00 0.00 61.98 62.85 2oii s VAL 899 Cb -0.12 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.46 2oii s VAL 899 CO 0.15 0.10 0.64 -0.76 0.00 0.00 0.00 175.10 175.22 2oii s LEU 900 N 2.27 4.38 0.37 3.92 2.01 -1.26 -4.73 118.68 125.63 2oii s LEU 900 Ca 0.21 -0.11 -0.27 0.00 0.01 0.00 0.00 54.13 53.96 2oii s LEU 900 Cb -0.16 -2.76 -0.09 0.00 0.01 0.00 0.00 46.19 43.19 2oii s LEU 900 CO 0.09 -0.70 1.27 -0.89 1.01 0.00 0.00 176.35 177.13 2oii s THR 901 N 2.78 2.80 -0.00 5.49 2.01 -1.26 -4.97 115.64 122.49 2oii s THR 901 Ca 0.24 0.75 -0.08 0.00 0.31 0.00 0.00 61.69 62.90 2oii s THR 901 Cb -0.14 -3.45 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 2oii s THR 901 CO 0.17 0.13 0.74 1.23 -0.69 0.00 0.00 174.62 176.21 2oii h GLY 902 N 3.01 -0.31 -6.42 4.40 0.00 -2.00 -3.48 103.07 98.27 2oii h GLY 902 Ca -0.49 0.12 -0.41 0.00 0.00 0.00 0.00 47.33 46.54 2oii h GLY 902 CO 0.64 -0.11 -0.86 1.42 0.00 0.00 0.00 176.54 177.63 2oii n HIS 903 N -3.18 -2.06 0.65 5.60 -0.00 -1.26 -4.81 115.22 110.16 2oii n HIS 903 Ca -0.04 0.66 0.07 0.00 -0.00 0.00 0.00 57.72 58.41 2oii n HIS 903 Cb 0.12 -3.16 0.35 0.00 -0.00 0.00 0.00 29.99 27.29 2oii n HIS 903 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.34 179.23 2oii n ARG 904 N -3.27 0.19 0.00 -0.41 1.85 -1.26 -3.68 116.66 110.08 2oii n ARG 904 Ca -0.18 0.16 0.01 0.00 -1.00 0.00 0.00 57.85 56.84 2oii n ARG 904 Cb 0.61 -1.50 0.05 0.00 -1.05 0.00 0.00 32.46 30.57 2oii n ARG 904 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 2oii n HIS 905 N -1.29 0.00 -1.06 2.89 -0.00 -1.26 -4.95 115.22 109.54 2oii n HIS 905 Ca 0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.24 2oii n HIS 905 Cb 0.11 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.98 2oii n HIS 905 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 2oii n GLU 906 N -0.78 0.00 0.00 1.57 0.28 0.35 -5.07 120.64 116.99 2oii n GLU 906 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 2oii n GLU 906 Cb 0.01 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.88 2oii n GLU 906 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2oii n LYS 907 N 0.00 0.00 -4.05 3.44 4.81 39.17 -4.62 118.16 156.91 2oii n LYS 907 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.13 2oii n LYS 907 Cb 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 34.89 2oii n LYS 907 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2oii s VAL 908 N -2.92 1.83 -0.16 3.15 1.01 -1.26 -1.93 120.40 120.13 2oii s VAL 908 Ca 0.00 -1.00 -0.06 0.00 0.00 0.00 0.00 61.98 60.92 2oii s VAL 908 Cb 0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 2oii s VAL 908 CO 0.00 0.32 0.04 -0.70 0.00 0.00 0.00 175.10 174.75 2oii s GLU 909 N 1.34 3.76 -0.25 2.72 2.56 0.55 -4.45 118.70 124.92 2oii s GLU 909 Ca 0.01 -0.38 -0.09 0.00 0.00 0.00 0.00 54.97 54.51 2oii s GLU 909 Cb -0.15 -3.09 0.11 0.00 2.00 0.00 0.00 34.13 33.00 2oii s GLU 909 CO -0.10 0.35 0.55 0.00 -0.56 0.00 0.00 175.26 175.50 2oii s ALA 910 N 0.13 -1.65 0.10 6.30 0.00 -1.24 -1.29 121.76 124.11 2oii s ALA 910 Ca 0.03 1.98 -0.30 0.00 0.00 0.00 0.00 51.96 53.68 2oii s ALA 910 Cb -0.13 -1.55 -0.06 0.00 0.00 0.00 0.00 23.12 21.39 2oii s ALA 910 CO 0.01 -0.81 1.06 0.54 0.00 0.00 0.00 175.76 176.56 2oii s VAL 911 N 2.68 4.28 0.75 0.00 0.11 -1.23 -2.66 120.40 124.32 2oii s VAL 911 Ca -0.05 1.79 -0.13 0.00 -2.93 0.00 0.00 61.98 60.66 2oii s VAL 911 Cb -0.12 -4.14 0.05 0.00 -1.53 0.00 0.00 36.38 30.64 2oii s VAL 911 CO -0.16 0.23 1.15 -0.76 -3.33 0.00 0.00 175.10 172.22 2oii s LEU 912 N 0.34 3.22 -0.04 2.54 1.43 0.29 -4.33 118.68 122.13 2oii s LEU 912 Ca 0.51 2.14 0.05 0.00 -1.03 0.00 0.00 54.13 55.80 2oii s LEU 912 Cb -0.26 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.39 2oii s LEU 912 CO 0.31 -2.18 -0.18 -0.55 0.23 0.00 0.00 176.35 173.99 2oii s SER 913 N -2.51 2.21 0.69 2.29 0.15 -0.83 -3.45 113.70 112.25 2oii s SER 913 Ca 0.69 -0.36 -0.16 0.00 0.70 0.00 0.00 55.95 56.82 2oii s SER 913 Cb -0.24 -0.54 0.02 0.00 -1.71 0.00 0.00 66.02 63.55 2oii s SER 913 CO 0.48 0.17 1.23 0.00 1.20 0.00 0.00 173.24 176.32 2oii s ARG 914 N -0.07 2.36 0.00 5.44 3.03 -1.25 -0.53 118.95 127.93 2oii s ARG 914 Ca -0.02 1.84 0.00 0.00 2.03 0.00 0.00 55.73 59.58 2oii s ARG 914 Cb -0.11 -1.85 0.00 0.00 -1.03 0.00 0.00 34.95 31.96 2oii s ARG 914 CO 0.02 -1.69 0.00 0.45 -1.13 0.00 0.00 175.30 172.95 2oii n SER 915 N -2.37 0.00 0.00 -2.89 2.88 -1.26 -4.54 113.62 105.44 2oii n SER 915 Ca 0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2oii n SER 915 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 2oii n SER 915 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2oii n ASN 916 N 0.87 3.39 -0.96 -3.46 3.02 -1.19 -5.15 115.26 111.77 2oii n ASN 916 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.67 2oii n ASN 916 Cb 0.00 0.61 -0.05 0.00 -0.61 0.00 0.00 39.78 39.74 2oii n ASN 916 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2oii n GLN 917 N -1.11 -2.11 0.00 3.52 6.02 0.31 -4.77 117.38 119.25 2oii n GLN 917 Ca 0.00 1.59 0.00 0.00 -0.01 0.00 0.00 57.00 58.58 2oii n GLN 917 Cb 0.06 -2.51 0.00 0.00 1.02 0.00 0.00 30.24 28.81 2oii n GLN 917 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2oii n GLY 918 N -3.70 3.42 2.90 1.08 0.00 -1.26 -4.38 105.19 103.26 2oii n GLY 918 Ca -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 2oii n GLY 918 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2oii n VAL 919 N 0.00 -7.20 -3.04 1.61 0.31 -1.26 -1.96 118.33 106.80 2oii n VAL 919 Ca 0.00 1.32 -0.45 0.00 -0.01 0.00 0.00 64.34 65.20 2oii n VAL 919 Cb 0.00 -4.83 -0.03 0.00 -0.91 0.00 0.00 33.84 28.06 2oii n VAL 919 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2oii s ALA 920 N -0.88 3.47 -0.03 3.52 0.00 -1.19 -3.89 121.76 122.78 2oii s ALA 920 Ca -0.07 -2.60 -0.20 0.00 0.00 0.00 0.00 51.96 49.09 2oii s ALA 920 Cb 0.00 -3.79 -0.33 0.00 0.00 0.00 0.00 23.12 19.01 2oii s ALA 920 CO 0.41 -2.66 0.91 0.07 0.00 0.00 0.00 175.76 174.49 2oii h ARG 921 N 8.84 0.37 -3.32 0.00 0.11 -1.77 -3.19 114.38 115.42 2oii h ARG 921 Ca -0.03 -0.64 -0.79 0.00 0.10 0.00 0.00 59.98 58.62 2oii h ARG 921 Cb 1.05 0.24 -0.29 0.00 1.11 0.00 0.00 29.97 32.07 2oii h ARG 921 CO 1.05 1.30 0.46 0.28 0.10 0.00 0.00 179.97 183.16 2oii n VAL 922 N -3.99 4.55 -3.12 0.08 0.31 -1.26 -4.34 118.33 110.55 2oii n VAL 922 Ca -0.15 -5.50 -0.39 0.00 -0.01 0.00 0.00 64.34 58.28 2oii n VAL 922 Cb 0.91 -2.41 -0.05 0.00 -0.91 0.00 0.00 33.84 31.37 2oii n VAL 922 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2oii s ASP 923 N 0.20 7.09 -0.26 4.52 2.15 -1.25 -3.52 116.67 125.60 2oii s ASP 923 Ca 0.31 1.30 -0.02 0.00 0.43 0.00 0.00 52.55 54.57 2oii s ASP 923 Cb -0.05 -2.41 0.12 0.00 -0.30 0.00 0.00 42.92 40.28 2oii s ASP 923 CO -0.03 0.09 0.25 -0.55 -0.17 0.00 0.00 175.17 174.76 2oii s SER 924 N -0.29 1.85 -1.00 -0.34 0.15 -0.41 -5.02 113.70 108.64 2oii s SER 924 Ca 0.34 -0.66 -0.07 0.00 0.70 0.00 0.00 55.95 56.25 2oii s SER 924 Cb -0.19 0.35 0.25 0.00 -1.71 0.00 0.00 66.02 64.72 2oii s SER 924 CO 0.20 -0.38 0.96 -0.83 1.20 0.00 0.00 173.24 174.39 2oii s GLY 925 N 2.31 3.10 -0.02 9.45 0.00 -1.26 -0.33 107.32 120.57 2oii s GLY 925 Ca 0.09 -3.77 0.07 0.00 0.00 0.00 0.00 44.72 41.11 2oii s GLY 925 CO -0.27 1.28 1.13 0.61 0.00 0.00 0.00 173.10 175.85 2oii n GLY 926 N 2.77 0.58 0.00 0.20 0.00 -0.81 -4.98 105.19 102.95 2oii n GLY 926 Ca 0.21 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2oii n GLY 926 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2oii n THR 946 N 0.24 0.00 -4.42 2.61 -1.04 -1.26 -3.79 114.28 106.62 2oii n THR 946 Ca 0.09 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.76 2oii n THR 946 Cb 0.29 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.68 2oii n THR 946 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2oii s LEU 947 N 0.00 3.16 0.25 -4.42 1.43 -1.26 -4.97 118.68 112.86 2oii s LEU 947 Ca 0.00 -0.17 -0.13 0.00 -1.03 0.00 0.00 54.13 52.80 2oii s LEU 947 Cb 0.00 -1.76 -0.00 0.00 0.03 0.00 0.00 46.19 44.46 2oii s LEU 947 CO 0.00 0.16 0.48 -0.83 0.23 0.00 0.00 176.35 176.39 2oii s GLY 948 N 0.44 0.50 -0.09 -3.19 0.00 -1.26 -4.98 107.32 98.74 2oii s GLY 948 Ca -0.05 -0.85 0.04 0.00 0.00 0.00 0.00 44.72 43.86 2oii s GLY 948 CO 0.03 -0.61 -0.21 -1.34 0.00 0.00 0.00 173.10 170.97 2oii s VAL 949 N -4.01 2.33 0.07 1.40 -7.23 -1.26 -3.16 120.40 108.54 2oii s VAL 949 Ca 0.22 -0.94 0.03 0.00 -1.81 0.00 0.00 61.98 59.47 2oii s VAL 949 Cb -0.01 -1.90 -0.03 0.00 0.56 0.00 0.00 36.38 35.01 2oii s VAL 949 CO 0.09 0.56 -0.09 0.72 -0.31 0.00 0.00 175.10 176.07 2oii s PHE 950 N 0.11 0.85 0.04 2.82 -0.12 -1.20 -4.98 117.98 115.49 2oii s PHE 950 Ca -0.10 -0.62 0.00 0.00 -0.05 0.00 0.00 56.93 56.16 2oii s PHE 950 Cb -0.16 -0.49 0.00 0.00 -0.63 0.00 0.00 43.02 41.74 2oii s PHE 950 CO 0.06 -0.07 0.00 0.43 -0.05 0.00 0.00 175.22 175.59 2oii n SER 951 N 0.94 0.32 0.00 1.98 7.64 -1.26 -4.24 113.62 118.99 2oii n SER 951 Ca -0.19 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.74 2oii n SER 951 Cb 0.57 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 2oii n SER 951 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2oii n LEU 952 N -3.13 0.16 0.00 -3.43 7.94 -1.26 -4.84 117.00 112.44 2oii n LEU 952 Ca 0.00 0.64 0.00 0.00 -1.11 0.00 0.00 56.01 55.54 2oii n LEU 952 Cb 0.32 -0.18 0.00 0.00 0.53 0.00 0.00 43.42 44.08 2oii n LEU 952 CO 0.00 -0.18 0.00 2.30 -1.11 0.00 0.00 177.39 178.40 2oii n ILE 953 N -1.05 0.00 0.00 1.96 -5.35 -1.26 -4.46 119.36 109.20 2oii n ILE 953 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2oii n ILE 953 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 2oii n ILE 953 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2oii n LEU 954 N 0.00 0.00 -4.55 7.28 -0.00 -1.26 -4.67 117.00 113.79 2oii n LEU 954 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 56.01 55.63 2oii n LEU 954 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 2oii n LEU 954 CO 0.00 0.00 1.38 -2.16 -0.00 0.00 0.00 177.39 176.61 2oii s PRO 955 N 0.00 3.09 0.03 1.47 0.04 -1.26 -4.86 135.00 133.51 2oii s PRO 955 Ca 0.00 -0.33 0.08 0.00 0.04 0.00 0.00 61.00 60.79 2oii s PRO 955 Cb 0.00 -4.71 -0.02 0.00 0.04 0.00 0.00 34.50 29.81 2oii s PRO 955 CO 0.00 -2.49 -0.23 -0.51 0.04 0.00 0.00 177.00 173.81 2oii s LEU 956 N 6.92 2.14 0.36 -3.56 1.02 -1.26 -5.02 118.68 119.28 2oii s LEU 956 Ca 0.50 -0.53 -0.14 0.00 0.02 0.00 0.00 54.13 53.99 2oii s LEU 956 Cb -0.06 -1.13 -0.08 0.00 0.02 0.00 0.00 46.19 44.93 2oii s LEU 956 CO 0.06 0.22 0.76 -1.10 0.02 0.00 0.00 176.35 176.31 2oii s GLN 957 N -1.08 3.93 -0.09 1.70 -0.21 -1.26 -4.95 119.66 117.70 2oii s GLN 957 Ca 0.09 0.62 -0.30 0.00 0.02 0.00 0.00 55.36 55.79 2oii s GLN 957 Cb -0.09 -2.40 -0.04 0.00 1.00 0.00 0.00 33.01 31.47 2oii s GLN 957 CO 0.01 0.07 1.56 0.00 -2.12 0.00 0.00 175.29 174.82 2oii s ALA 958 N -2.14 3.61 0.00 6.09 0.00 -1.26 -2.61 121.76 125.45 2oii s ALA 958 Ca 0.53 0.81 0.00 0.00 0.00 0.00 0.00 51.96 53.30 2oii s ALA 958 Cb -0.10 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.30 2oii s ALA 958 CO 0.22 -1.37 0.00 0.41 0.00 0.00 0.00 175.76 175.02 2oii n GLY 959 N 4.04 3.24 3.35 0.00 0.00 -0.43 -4.99 105.19 110.41 2oii n GLY 959 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2oii n GLY 959 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2oii n ASP 960 N 0.06 -2.16 -3.94 1.61 9.92 -1.07 -4.50 116.55 116.47 2oii n ASP 960 Ca 0.00 -0.15 -0.15 0.00 -0.53 0.00 0.00 54.79 53.96 2oii n ASP 960 Cb 0.00 -1.07 -0.14 0.00 -0.64 0.00 0.00 41.12 39.26 2oii n ASP 960 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2oii s THR 961 N -2.30 0.35 -0.03 -3.53 2.01 -1.26 -3.55 115.64 107.33 2oii s THR 961 Ca 0.61 -0.18 -0.04 0.00 0.31 0.00 0.00 61.69 62.39 2oii s THR 961 Cb -0.17 -0.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 2oii s THR 961 CO 0.66 0.10 0.17 0.68 -0.69 0.00 0.00 174.62 175.55 2oii s VAL 962 N -0.06 5.44 0.02 3.82 -7.23 -1.23 -3.93 120.40 117.22 2oii s VAL 962 Ca 0.01 -0.08 0.01 0.00 -1.81 0.00 0.00 61.98 60.11 2oii s VAL 962 Cb -0.02 -3.50 -0.01 0.00 0.56 0.00 0.00 36.38 33.40 2oii s VAL 962 CO -0.00 0.39 -0.05 0.00 -0.31 0.00 0.00 175.10 175.13 2oii s VAL 964 N -0.75 5.04 -0.20 0.00 1.01 -1.26 0.10 120.40 124.35 2oii s VAL 964 Ca -0.06 0.94 -0.15 0.00 0.00 0.00 0.00 61.98 62.71 2oii s VAL 964 Cb -0.06 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2oii s VAL 964 CO -0.00 0.48 0.34 -0.62 0.00 0.00 0.00 175.10 175.30 2oii s ASP 965 N -0.46 6.39 -0.44 3.32 -1.08 -1.09 -4.77 116.67 118.54 2oii s ASP 965 Ca 0.25 0.46 0.09 0.00 -0.52 0.00 0.00 52.55 52.84 2oii s ASP 965 Cb -0.17 -2.20 0.33 0.00 -1.46 0.00 0.00 42.92 39.42 2oii s ASP 965 CO 0.13 -0.02 0.78 -0.11 0.52 0.00 0.00 175.17 176.47 2oii n LEU 966 N 4.24 1.95 -3.21 -1.34 7.94 -1.26 -3.65 117.00 121.67 2oii n LEU 966 Ca -0.10 -5.20 -0.01 0.00 -1.11 0.00 0.00 56.01 49.60 2oii n LEU 966 Cb 0.51 0.29 -0.02 0.00 0.53 0.00 0.00 43.42 44.73 2oii n LEU 966 CO 0.39 2.28 0.05 -0.69 -1.11 0.00 0.00 177.39 178.31 2oii s VAL 967 N -2.91 -0.88 -0.38 1.96 1.01 -1.26 -5.05 120.40 112.89 2oii s VAL 967 Ca 0.42 -0.13 0.12 0.00 0.00 0.00 0.00 61.98 62.39 2oii s VAL 967 Cb 0.31 -0.67 0.36 0.00 0.00 0.00 0.00 36.38 36.37 2oii s VAL 967 CO -0.10 -0.10 0.82 0.23 0.00 0.00 0.00 175.10 175.95 2oii n MET 968 N 5.02 1.00 0.00 2.72 2.81 -1.26 -5.03 117.12 122.38 2oii n MET 968 Ca 0.06 -3.15 0.00 0.00 -1.81 0.00 0.00 57.70 52.81 2oii n MET 968 Cb 0.53 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 2oii n MET 968 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2oii n GLY 969 N 0.23 3.46 0.06 3.03 0.00 -1.26 -4.22 105.19 106.49 2oii n GLY 969 Ca 0.20 -0.63 -0.05 0.00 0.00 0.00 0.00 46.02 45.54 2oii n GLY 969 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2oii h GLN 970 N 0.00 0.00 -5.31 1.61 4.15 -2.02 -3.42 115.11 110.12 2oii h GLN 970 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 2oii h GLN 970 Cb 0.00 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 2oii h GLN 970 CO 0.00 0.30 0.12 -0.11 -1.93 0.00 0.00 178.83 177.21 2oii n LEU 971 N -4.69 1.60 0.00 -2.39 7.94 -1.26 -4.77 117.00 113.43 2oii n LEU 971 Ca -0.06 -1.47 0.00 0.00 -1.11 0.00 0.00 56.01 53.37 2oii n LEU 971 Cb 0.20 -1.60 0.00 0.00 0.53 0.00 0.00 43.42 42.54 2oii n LEU 971 CO 0.11 -2.60 0.00 0.00 -1.11 0.00 0.00 177.39 173.78 2oii n ALA 972 N 18.03 0.00 -2.55 1.96 0.00 -1.26 -5.14 120.51 131.54 2oii n ALA 972 Ca 0.48 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.66 2oii n ALA 972 Cb 0.41 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.77 2oii n ALA 972 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2oii s HIS 973 N 0.22 2.51 -0.19 0.00 2.46 -1.26 -5.13 115.29 113.91 2oii s HIS 973 Ca 0.00 -0.56 -0.09 0.00 0.47 0.00 0.00 55.06 54.88 2oii s HIS 973 Cb 0.00 -1.65 -0.04 0.00 -0.13 0.00 0.00 32.58 30.76 2oii s HIS 973 CO 0.00 0.45 0.09 0.45 -2.47 0.00 0.00 174.74 173.26 2oii s SER 974 N -3.72 5.91 0.12 9.88 0.15 -1.26 -5.08 113.70 119.70 2oii s SER 974 Ca 0.35 0.16 -0.19 0.00 0.70 0.00 0.00 55.95 56.97 2oii s SER 974 Cb 0.05 -2.02 0.05 0.00 -1.71 0.00 0.00 66.02 62.39 2oii s SER 974 CO 0.19 0.18 0.48 -1.83 1.20 0.00 0.00 173.24 173.46 2oii s GLU 975 N 0.32 1.12 -0.41 5.44 1.03 -1.26 -5.12 118.70 119.83 2oii s GLU 975 Ca 0.06 -0.55 0.02 0.00 0.03 0.00 0.00 54.97 54.53 2oii s GLU 975 Cb -0.12 0.51 0.15 0.00 -0.80 0.00 0.00 34.13 33.87 2oii s GLU 975 CO -0.01 -0.45 0.28 -1.83 -1.33 0.00 0.00 175.26 171.93 2oii s GLU 976 N -3.53 0.88 0.24 -4.83 4.04 -1.26 -5.12 118.70 109.12 2oii s GLU 976 Ca 0.01 -1.85 -0.04 0.00 0.04 0.00 0.00 54.97 53.13 2oii s GLU 976 Cb 0.01 -1.57 0.06 0.00 0.02 0.00 0.00 34.13 32.64 2oii s GLU 976 CO -0.10 -1.29 0.25 -0.35 -1.84 0.00 0.00 175.26 171.93 2oii n PRO 977 N 3.36 -1.03 -4.31 -4.83 -0.04 -1.26 -5.02 135.00 121.86 2oii n PRO 977 Ca 0.20 -0.40 -0.20 0.00 -0.04 0.00 0.00 63.50 63.06 2oii n PRO 977 Cb 0.41 -0.33 -0.11 0.00 -0.04 0.00 0.00 33.50 33.43 2oii n PRO 977 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2oii s LEU 978 N 0.00 2.45 -0.11 1.53 1.02 -1.26 -4.86 118.68 117.46 2oii s LEU 978 Ca 0.16 -0.88 -0.12 0.00 0.02 0.00 0.00 54.13 53.30 2oii s LEU 978 Cb -0.01 -0.73 0.03 0.00 0.02 0.00 0.00 46.19 45.50 2oii s LEU 978 CO 0.12 -0.09 0.34 0.42 0.02 0.00 0.00 176.35 177.15 2oii s THR 979 N -2.27 0.01 -0.17 5.49 -4.23 -1.26 -4.89 115.64 108.31 2oii s THR 979 Ca 0.15 -0.07 -0.05 0.00 -1.18 0.00 0.00 61.69 60.55 2oii s THR 979 Cb -0.04 -0.50 -0.03 0.00 1.34 0.00 0.00 72.50 73.26 2oii s THR 979 CO 0.06 -0.04 0.00 -0.63 -0.54 0.00 0.00 174.62 173.47 2oii s ILE 980 N -0.03 4.18 -0.39 2.99 -1.09 -1.26 -4.35 121.20 121.25 2oii s ILE 980 Ca -0.02 -0.25 0.04 0.00 -2.23 0.00 0.00 60.65 58.19 2oii s ILE 980 Cb -0.03 -2.86 0.11 0.00 -1.58 0.00 0.00 42.46 38.10 2oii s ILE 980 CO 0.01 0.47 0.10 0.12 -1.23 0.00 0.00 174.94 174.42 2oii s PHE 981 N 0.49 3.62 0.23 3.97 2.19 -1.23 -3.17 117.98 124.08 2oii s PHE 981 Ca -0.01 -3.05 0.08 0.00 0.33 0.00 0.00 56.93 54.28 2oii s PHE 981 Cb -0.14 -2.91 -0.04 0.00 -1.31 0.00 0.00 43.02 38.63 2oii s PHE 981 CO 0.02 -0.90 0.10 -1.54 1.83 0.00 0.00 175.22 174.74 2oii s SER 982 N 0.60 5.13 -0.30 6.13 1.04 -1.21 -3.17 113.70 121.91 2oii s SER 982 Ca 0.13 -0.37 -0.14 0.00 0.48 0.00 0.00 55.95 56.04 2oii s SER 982 Cb -0.21 -1.19 0.18 0.00 0.10 0.00 0.00 66.02 64.90 2oii s SER 982 CO -0.06 0.01 1.08 -0.83 0.98 0.00 0.00 173.24 174.42 2oii s GLY 983 N -3.57 -0.27 0.08 7.32 0.00 -0.82 -2.98 107.32 107.07 2oii s GLY 983 Ca 0.31 2.88 0.04 0.00 0.00 0.00 0.00 44.72 47.95 2oii s GLY 983 CO 0.22 3.80 0.02 0.00 0.00 0.00 0.00 173.10 177.14 2oii s ALA 984 N 2.91 3.36 0.22 3.20 0.00 -0.90 -2.94 121.76 127.60 2oii s ALA 984 Ca -0.02 -1.07 -0.30 0.00 0.00 0.00 0.00 51.96 50.57 2oii s ALA 984 Cb -0.09 -1.27 -0.09 0.00 0.00 0.00 0.00 23.12 21.67 2oii s ALA 984 CO -0.11 0.71 1.20 -1.17 0.00 0.00 0.00 175.76 176.39 2oii s LEU 985 N -2.25 4.46 -0.11 0.00 2.96 -1.18 -2.29 118.68 120.28 2oii s LEU 985 Ca 0.26 2.31 -0.11 0.00 -0.22 0.00 0.00 54.13 56.37 2oii s LEU 985 Cb -0.12 -3.62 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 2oii s LEU 985 CO 0.18 -0.36 -0.23 -0.11 -1.32 0.00 0.00 176.35 174.51 2oii n LEU 986 N 2.07 1.60 -3.86 -0.68 7.94 -1.22 -4.87 117.00 117.98 2oii n LEU 986 Ca 0.03 0.26 -0.11 0.00 -1.11 0.00 0.00 56.01 55.07 2oii n LEU 986 Cb 0.44 -0.60 -0.11 0.00 0.53 0.00 0.00 43.42 43.68 2oii n LEU 986 CO 0.56 -0.27 -0.21 -0.47 -1.11 0.00 0.00 177.39 175.89 2oii s TYR 987 N -2.55 -0.02 0.30 1.96 5.04 -0.91 -5.05 117.35 116.12 2oii s TYR 987 Ca -0.21 0.03 0.09 0.00 -2.44 0.00 0.00 57.07 54.55 2oii s TYR 987 Cb 0.04 -0.02 -0.04 0.00 0.35 0.00 0.00 41.96 42.29 2oii s TYR 987 CO 0.29 -0.19 0.07 0.20 -1.34 0.00 0.00 175.55 174.58 2oii s GLY 988 N -0.80 1.80 -0.39 8.97 0.00 -1.26 -1.73 107.32 113.91 2oii s GLY 988 Ca -0.09 -1.74 -0.29 0.00 0.00 0.00 0.00 44.72 42.60 2oii s GLY 988 CO 0.01 -1.74 1.29 0.99 0.00 0.00 0.00 173.10 173.65 2oii s ASP 989 N -3.76 6.54 -1.22 1.64 1.01 -0.85 -4.86 116.67 115.17 2oii s ASP 989 Ca 0.34 0.84 -0.09 0.00 0.71 0.00 0.00 52.55 54.36 2oii s ASP 989 Cb -0.04 -2.54 0.21 0.00 1.01 0.00 0.00 42.92 41.55 2oii s ASP 989 CO 0.21 -1.26 1.70 -0.81 0.21 0.00 0.00 175.17 175.22 2oii n PRO 990 N 7.74 3.79 0.00 8.23 -0.04 -1.26 -4.84 135.00 148.62 2oii n PRO 990 Ca 0.15 -3.84 0.00 0.00 -0.04 0.00 0.00 63.50 59.76 2oii n PRO 990 Cb 0.48 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.11 2oii n PRO 990 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2oii n GLU 991 N 3.45 0.00 -1.36 0.54 1.02 -1.26 -4.72 120.64 118.31 2oii n GLU 991 Ca 0.36 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.39 2oii n GLU 991 Cb 0.36 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.74 2oii n GLU 991 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2oii n LEU 992 N 0.00 -0.81 -4.93 -4.62 4.77 -1.26 -4.93 117.00 105.22 2oii n LEU 992 Ca 0.00 0.27 -0.26 0.00 -0.03 0.00 0.00 56.01 55.99 2oii n LEU 992 Cb 0.00 -1.76 -0.02 0.00 -2.33 0.00 0.00 43.42 39.31 2oii n LEU 992 CO 0.00 -0.56 0.09 -1.61 -1.33 0.00 0.00 177.39 173.98 2oii s GLU 993 N -3.02 3.52 -0.33 3.23 2.02 -1.26 -5.08 118.70 117.77 2oii s GLU 993 Ca 0.00 -0.33 0.00 0.00 0.02 0.00 0.00 54.97 54.66 2oii s GLU 993 Cb 0.00 -2.76 0.14 0.00 0.10 0.00 0.00 34.13 31.61 2oii s GLU 993 CO 0.00 0.30 0.27 -1.01 0.02 0.00 0.00 175.26 174.83 2oii s HIS 994 N -2.06 0.04 -1.20 1.61 3.76 -1.26 -5.25 115.29 110.95 2oii s HIS 994 Ca 0.39 -0.89 0.00 0.00 -0.15 0.00 0.00 55.06 54.41 2oii s HIS 994 Cb -0.10 -0.64 0.00 0.00 1.11 0.00 0.00 32.58 32.94 2oii s HIS 994 CO 0.31 -0.90 0.30 0.00 -0.85 0.00 0.00 174.74 173.61