#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 0.65 0.04 0.52 1.01 -1.26 -4.98 120.40 116.38 2oii s VAL 847 Ca 0.00 -1.08 0.33 0.00 0.00 0.00 0.00 61.98 61.22 2oii s VAL 847 Cb 0.00 -1.40 0.38 0.00 0.00 0.00 0.00 36.38 35.35 2oii s VAL 847 CO 0.00 -0.56 1.96 1.55 0.00 0.00 0.00 175.10 178.05 2oii h PRO 848 N 8.18 0.00 -6.00 2.72 0.13 -2.02 -3.47 132.00 131.54 2oii h PRO 848 Ca -0.15 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.77 2oii h PRO 848 Cb 1.04 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 2oii h PRO 848 CO 0.43 0.00 -0.44 0.94 -0.23 0.00 0.00 178.00 178.71 2oii n GLN 849 N -2.97 -0.63 -5.26 0.86 7.27 -1.26 -4.93 117.38 110.46 2oii n GLN 849 Ca 0.01 0.18 -0.31 0.00 0.07 0.00 0.00 57.00 56.94 2oii n GLN 849 Cb 0.29 -0.78 -0.16 0.00 2.41 0.00 0.00 30.24 31.99 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 -2.78 2.11 0.24 1.69 1.01 -1.26 -5.11 120.40 116.30 2oii s VAL 850 Ca 0.04 -1.06 0.10 0.00 0.00 0.00 0.00 61.98 61.05 2oii s VAL 850 Cb -0.02 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 2oii s VAL 850 CO 0.36 0.57 -0.17 0.00 0.00 0.00 0.00 175.10 175.87 2oii s ALA 851 N -0.33 2.32 -0.28 5.51 0.00 -1.26 -3.17 121.76 124.55 2oii s ALA 851 Ca 0.02 -1.75 -0.14 0.00 0.00 0.00 0.00 51.96 50.08 2oii s ALA 851 Cb -0.12 -0.16 0.09 0.00 0.00 0.00 0.00 23.12 22.92 2oii s ALA 851 CO 0.02 0.16 0.66 -0.59 0.00 0.00 0.00 175.76 176.01 2oii s PHE 852 N -2.76 -1.09 -0.29 0.00 -0.12 -0.85 -3.78 117.98 109.08 2oii s PHE 852 Ca 0.26 2.11 -0.20 0.00 -0.05 0.00 0.00 56.93 59.05 2oii s PHE 852 Cb -0.03 0.64 0.18 0.00 -0.63 0.00 0.00 43.02 43.19 2oii s PHE 852 CO 0.10 -0.54 1.23 0.45 -0.05 0.00 0.00 175.22 176.41 2oii s SER 853 N 1.89 -0.20 0.13 1.98 0.15 -0.82 -1.31 113.70 115.52 2oii s SER 853 Ca -0.09 0.34 0.05 0.00 0.70 0.00 0.00 55.95 56.96 2oii s SER 853 Cb -0.07 0.75 -0.04 0.00 -1.71 0.00 0.00 66.02 64.95 2oii s SER 853 CO -0.19 -0.06 -0.12 0.00 1.20 0.00 0.00 173.24 174.07 2oii s ALA 854 N 0.67 1.49 0.04 5.45 0.00 -1.07 -3.29 121.76 125.05 2oii s ALA 854 Ca -0.02 -1.38 0.09 0.00 0.00 0.00 0.00 51.96 50.65 2oii s ALA 854 Cb -0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 2oii s ALA 854 CO -0.12 0.02 -0.26 0.00 0.00 0.00 0.00 175.76 175.40 2oii s ALA 855 N -2.63 2.27 -0.09 0.00 0.00 -0.97 -3.41 121.76 116.93 2oii s ALA 855 Ca 0.12 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 50.85 2oii s ALA 855 Cb -0.02 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 2oii s ALA 855 CO 0.02 0.54 -0.16 -1.17 0.00 0.00 0.00 175.76 174.99 2oii s LEU 856 N -1.21 2.60 0.00 0.00 1.98 -1.26 -2.72 118.68 118.07 2oii s LEU 856 Ca 0.12 -0.32 0.00 0.00 -2.89 0.00 0.00 54.13 51.04 2oii s LEU 856 Cb -0.10 -1.55 0.00 0.00 0.66 0.00 0.00 46.19 45.20 2oii s LEU 856 CO 0.02 0.24 0.30 -1.20 -1.89 0.00 0.00 176.35 173.82 2oii n SER 857 N 3.02 0.00 -3.31 3.68 7.64 -1.26 -4.89 113.62 118.49 2oii n SER 857 Ca -0.18 -1.07 -0.30 0.00 1.01 0.00 0.00 58.87 58.33 2oii n SER 857 Cb 0.52 -0.01 0.03 0.00 -1.01 0.00 0.00 64.21 63.74 2oii n SER 857 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2oii n LEU 858 N 0.00 -4.44 0.00 -3.43 -0.00 -1.26 -4.95 117.00 102.92 2oii n LEU 858 Ca 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 56.01 56.13 2oii n LEU 858 Cb 0.51 -0.58 0.00 0.00 -0.00 0.00 0.00 43.42 43.35 2oii n LEU 858 CO 0.00 -4.35 0.02 -0.81 -0.00 0.00 0.00 177.39 172.25 2oii n PRO 859 N 2.07 0.00 0.00 1.47 -0.04 -1.26 -5.05 135.00 132.19 2oii n PRO 859 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 2oii n PRO 859 Cb 0.50 -0.50 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 -0.03 0.94 -1.31 0.54 1.85 -1.26 -5.08 116.66 112.30 2oii n ARG 860 Ca 0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 57.85 56.34 2oii n ARG 860 Cb 0.00 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.34 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 0.31 -4.89 2.89 7.64 -1.26 -4.96 113.62 113.35 2oii n SER 861 Ca 0.00 0.97 -0.21 0.00 1.01 0.00 0.00 58.87 60.65 2oii n SER 861 Cb 0.00 -0.76 -0.03 0.00 -1.01 0.00 0.00 64.21 62.42 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 0.78 2.80 0.23 1.43 2.02 -1.26 -5.00 118.70 119.69 2oii s GLU 862 Ca 0.79 -1.25 0.24 0.00 0.02 0.00 0.00 54.97 54.78 2oii s GLU 862 Cb -1.12 -2.55 0.92 0.00 0.10 0.00 0.00 34.13 31.48 2oii s GLU 862 CO 0.54 0.06 1.73 -0.35 0.02 0.00 0.00 175.26 177.26 2oii n PRO 863 N -1.46 0.21 0.00 0.39 -0.04 -1.26 -4.95 135.00 127.89 2oii n PRO 863 Ca -0.01 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 2oii n PRO 863 Cb 0.59 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 2oii n PRO 863 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2oii n GLY 864 N 0.47 0.93 3.73 0.55 0.00 -1.26 -5.15 105.19 104.46 2oii n GLY 864 Ca 0.03 0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 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 1.37 2.61 -0.14 2.61 2.01 -1.26 -4.99 115.64 117.85 2oii s THR 865 Ca 0.00 0.26 -0.12 0.00 0.31 0.00 0.00 61.69 62.13 2oii s THR 865 Cb 0.00 -2.68 -0.05 0.00 0.01 0.00 0.00 72.50 69.79 2oii s THR 865 CO 0.00 -0.21 0.26 -0.69 -0.69 0.00 0.00 174.62 173.30 2oii s VAL 866 N -2.36 5.32 0.00 3.82 1.01 -1.26 -5.06 120.40 121.86 2oii s VAL 866 Ca 0.69 0.48 0.00 0.00 0.00 0.00 0.00 61.98 63.15 2oii s VAL 866 Cb -0.24 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2oii s VAL 866 CO 0.49 0.45 0.00 -0.81 0.00 0.00 0.00 175.10 175.24 2oii n PRO 867 N 3.11 3.53 -3.67 2.72 -0.04 -1.26 -4.71 135.00 134.67 2oii n PRO 867 Ca -0.14 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.22 2oii n PRO 867 Cb 0.52 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.87 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 1.65 -0.62 -0.79 0.54 -0.71 -1.26 -4.92 117.98 111.88 2oii s PHE 868 Ca 0.00 1.28 0.07 0.00 -1.04 0.00 0.00 56.93 57.24 2oii s PHE 868 Cb 0.00 0.20 0.02 0.00 -1.21 0.00 0.00 43.02 42.03 2oii s PHE 868 CO 0.00 -0.40 0.62 -0.40 -1.34 0.00 0.00 175.22 173.70 2oii n ASP 869 N 4.99 1.28 -4.43 1.98 5.75 -1.25 -4.89 116.55 119.98 2oii n ASP 869 Ca -0.13 -1.14 -0.44 0.00 -0.01 0.00 0.00 54.79 53.06 2oii n ASP 869 Cb 0.51 0.27 -0.02 0.00 -1.03 0.00 0.00 41.12 40.85 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 -0.91 3.61 -0.75 0.11 1.81 -1.10 -4.98 118.95 116.74 2oii s ARG 870 Ca 0.07 -1.91 -0.26 0.00 -1.72 0.00 0.00 55.73 51.91 2oii s ARG 870 Cb 0.06 -4.82 -0.01 0.00 -0.45 0.00 0.00 34.95 29.73 2oii s ARG 870 CO 0.14 -1.68 1.73 0.08 -0.68 0.00 0.00 175.30 174.90 2oii s VAL 871 N 2.17 3.50 -0.12 3.52 1.01 -1.26 -2.30 120.40 126.92 2oii s VAL 871 Ca 0.30 0.01 -0.22 0.00 0.00 0.00 0.00 61.98 62.07 2oii s VAL 871 Cb -0.06 -4.26 -0.27 0.00 0.00 0.00 0.00 36.38 31.80 2oii s VAL 871 CO -0.09 -1.20 0.65 -0.07 0.00 0.00 0.00 175.10 174.38 2oii h LEU 872 N 15.76 0.23 -6.00 3.92 3.38 -1.93 -3.47 115.31 127.20 2oii h LEU 872 Ca -0.13 -0.87 0.22 0.00 0.09 0.00 0.00 57.88 57.19 2oii h LEU 872 Cb 1.09 -0.07 -0.19 0.00 0.09 0.00 0.00 40.66 41.57 2oii h LEU 872 CO 1.25 1.36 0.02 -0.22 0.09 0.00 0.00 178.44 180.93 2oii s LEU 873 N -7.88 -0.45 0.00 1.67 2.96 -1.21 -5.02 118.68 108.75 2oii s LEU 873 Ca -0.19 0.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 2oii s LEU 873 Cb 0.02 1.30 0.00 0.00 0.50 0.00 0.00 46.19 48.01 2oii s LEU 873 CO 0.73 -0.08 0.00 -3.20 -1.32 0.00 0.00 176.35 172.48 2oii n ASN 874 N 5.20 0.00 -0.06 3.68 5.15 -1.25 -1.95 115.26 126.03 2oii n ASN 874 Ca 0.05 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.92 2oii n ASN 874 Cb 0.57 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.77 2oii n ASN 874 CO 0.00 0.00 0.00 -2.24 1.40 0.00 0.00 177.26 176.42 2oii h ASP 875 N 0.00 0.32 1.10 1.20 2.03 -2.00 -3.08 116.42 115.99 2oii h ASP 875 Ca 0.00 -0.27 -0.06 0.00 -0.73 0.00 0.00 57.03 55.97 2oii h ASP 875 Cb 0.00 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 38.41 2oii h ASP 875 CO 0.00 0.51 -0.30 1.23 -1.03 0.00 0.00 179.24 179.65 2oii h GLY 876 N 0.12 0.00 0.00 7.15 0.00 -1.97 -3.47 103.07 104.90 2oii h GLY 876 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 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 0.46 1.78 5.00 4.60 0.00 -1.17 -4.87 105.19 110.99 2oii n GLY 877 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.79 1.61 4.01 -1.26 -4.69 117.16 113.05 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 -0.13 0.00 -0.31 0.00 0.00 39.34 38.90 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 3.26 -0.12 -0.72 1.13 -1.26 -3.39 117.35 116.26 2oii s TYR 879 Ca 0.00 -1.55 -0.29 0.00 -1.41 0.00 0.00 57.07 53.82 2oii s TYR 879 Cb 0.00 -2.27 -0.05 0.00 -1.10 0.00 0.00 41.96 38.54 2oii s TYR 879 CO 0.00 -0.75 1.76 -0.51 -2.51 0.00 0.00 175.55 173.53 2oii s ASP 880 N 1.39 6.39 0.00 -0.18 1.01 -1.17 -4.86 116.67 119.25 2oii s ASP 880 Ca -0.02 2.05 0.24 0.00 0.71 0.00 0.00 52.55 55.53 2oii s ASP 880 Cb -0.20 -2.53 1.46 0.00 1.01 0.00 0.00 42.92 42.66 2oii s ASP 880 CO 0.02 -1.18 1.83 -0.81 0.21 0.00 0.00 175.17 175.24 2oii n PRO 881 N 7.57 0.79 0.04 8.23 -0.04 -1.26 0.11 135.00 150.45 2oii n PRO 881 Ca 0.20 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.63 2oii n PRO 881 Cb 0.44 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.40 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 -0.15 0.00 0.54 5.08 -1.89 -3.37 114.58 114.79 2oii h GLU 882 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2oii h GLU 882 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2oii h GLU 882 CO 0.00 -0.10 -1.34 0.25 -1.00 0.00 0.00 179.01 176.82 2oii n THR 883 N -3.44 0.19 -0.99 1.13 -2.24 -1.25 -4.97 114.28 102.71 2oii n THR 883 Ca -0.02 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 2oii n THR 883 Cb 0.06 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 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 1.31 0.59 3.56 3.38 0.00 0.31 -4.53 105.19 109.81 2oii n GLY 884 Ca -0.00 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.00 3.63 -0.52 1.61 1.01 -1.07 -4.38 120.40 118.68 2oii s VAL 885 Ca 0.00 -0.62 -0.22 0.00 0.00 0.00 0.00 61.98 61.14 2oii s VAL 885 Cb 0.00 -4.43 0.04 0.00 0.00 0.00 0.00 36.38 32.00 2oii s VAL 885 CO 0.00 -1.29 0.82 0.12 0.00 0.00 0.00 175.10 174.75 2oii s PHE 886 N 8.43 2.90 -0.58 5.22 2.19 -1.24 -3.04 117.98 131.86 2oii s PHE 886 Ca 0.62 -0.15 -0.16 0.00 0.33 0.00 0.00 56.93 57.57 2oii s PHE 886 Cb -0.04 -3.84 0.13 0.00 -1.31 0.00 0.00 43.02 37.97 2oii s PHE 886 CO -0.01 -1.19 0.57 0.99 1.83 0.00 0.00 175.22 177.40 2oii s THR 887 N 3.43 5.16 -0.45 0.12 2.01 -1.22 -3.46 115.64 121.24 2oii s THR 887 Ca 0.25 -1.47 -0.17 0.00 0.31 0.00 0.00 61.69 60.61 2oii s THR 887 Cb -0.14 -4.38 0.04 0.00 0.01 0.00 0.00 72.50 68.02 2oii s THR 887 CO 0.17 -0.94 0.45 0.00 -0.69 0.00 0.00 174.62 173.62 2oii s ALA 888 N 1.72 3.45 -0.72 7.40 0.00 -1.23 -4.75 121.76 127.62 2oii s ALA 888 Ca 0.06 -1.71 0.24 0.00 0.00 0.00 0.00 51.96 50.56 2oii s ALA 888 Cb -0.27 -3.10 0.35 0.00 0.00 0.00 0.00 23.12 20.10 2oii s ALA 888 CO 0.03 -1.69 1.31 -0.35 0.00 0.00 0.00 175.76 175.06 2oii n PRO 889 N 5.59 0.22 -0.29 0.00 -0.04 -1.26 -1.12 135.00 138.10 2oii n PRO 889 Ca -0.09 0.05 0.04 0.00 -0.04 0.00 0.00 63.50 63.47 2oii n PRO 889 Cb 0.46 -1.63 0.10 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.95 -0.32 -2.84 1.53 4.77 -1.26 -4.86 117.00 112.07 2oii n LEU 890 Ca 0.04 1.37 -0.02 0.00 -0.03 0.00 0.00 56.01 57.37 2oii n LEU 890 Cb 0.41 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 2oii n LEU 890 CO 0.36 -1.30 -0.46 0.00 -1.33 0.00 0.00 177.39 174.66 2oii n ALA 891 N -3.69 -2.78 0.00 -1.18 0.00 -1.26 -4.76 120.51 106.84 2oii n ALA 891 Ca 0.12 0.98 0.00 0.00 0.00 0.00 0.00 53.44 54.54 2oii n ALA 891 Cb 0.39 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.71 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 1.55 -0.33 3.26 0.00 0.00 -1.26 -2.92 105.19 105.49 2oii n GLY 892 Ca -0.15 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.53 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 3.21 0.16 1.61 3.52 -0.73 -4.94 118.95 119.78 2oii s ARG 893 Ca 0.00 -0.75 0.04 0.00 -0.13 0.00 0.00 55.73 54.89 2oii s ARG 893 Cb 0.00 -2.63 -0.05 0.00 -1.56 0.00 0.00 34.95 30.72 2oii s ARG 893 CO 0.00 0.01 -0.07 1.52 -0.81 0.00 0.00 175.30 175.95 2oii s TYR 894 N 0.83 1.29 -0.27 5.12 -0.85 -1.26 -2.13 117.35 120.07 2oii s TYR 894 Ca -0.05 -0.82 -0.18 0.00 -0.52 0.00 0.00 57.07 55.50 2oii s TYR 894 Cb -0.15 -0.69 -0.02 0.00 0.38 0.00 0.00 41.96 41.48 2oii s TYR 894 CO -0.00 0.02 0.54 -1.17 -1.52 0.00 0.00 175.55 173.42 2oii s LEU 895 N -3.19 4.08 0.00 -3.49 2.96 -1.12 -4.72 118.68 113.21 2oii s LEU 895 Ca 0.19 0.51 0.03 0.00 -0.22 0.00 0.00 54.13 54.64 2oii s LEU 895 Cb 0.04 -2.70 -0.03 0.00 0.50 0.00 0.00 46.19 43.99 2oii s LEU 895 CO 0.02 -0.33 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.45 2oii s LEU 896 N 2.37 3.25 -0.20 -0.68 0.20 -1.26 -2.50 118.68 119.86 2oii s LEU 896 Ca 0.22 -0.11 -0.04 0.00 0.69 0.00 0.00 54.13 54.88 2oii s LEU 896 Cb -0.16 -1.86 0.10 0.00 -0.43 0.00 0.00 46.19 43.84 2oii s LEU 896 CO 0.09 0.28 0.33 -0.44 -0.29 0.00 0.00 176.35 176.33 2oii s SER 897 N -1.46 0.34 0.02 3.68 0.01 -1.15 -4.90 113.70 110.23 2oii s SER 897 Ca 0.18 0.42 0.02 0.00 1.31 0.00 0.00 55.95 57.87 2oii s SER 897 Cb -0.11 0.95 -0.04 0.00 0.21 0.00 0.00 66.02 67.04 2oii s SER 897 CO 0.08 -0.27 0.02 0.00 0.41 0.00 0.00 173.24 173.48 2oii s ALA 898 N 2.50 3.35 -0.28 1.44 0.00 -1.26 -3.28 121.76 124.22 2oii s ALA 898 Ca 0.06 -0.98 -0.14 0.00 0.00 0.00 0.00 51.96 50.90 2oii s ALA 898 Cb -0.14 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 2oii s ALA 898 CO -0.13 0.67 0.35 0.08 0.00 0.00 0.00 175.76 176.73 2oii s VAL 899 N -1.17 5.19 -0.37 0.00 1.01 -1.17 -5.05 120.40 118.83 2oii s VAL 899 Ca 0.22 0.43 -0.17 0.00 0.00 0.00 0.00 61.98 62.46 2oii s VAL 899 Cb -0.12 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2oii s VAL 899 CO 0.13 0.13 0.44 -0.76 0.00 0.00 0.00 175.10 175.03 2oii s LEU 900 N 2.02 4.56 0.37 3.92 2.01 -1.26 -4.68 118.68 125.62 2oii s LEU 900 Ca 0.13 -0.34 -0.28 0.00 0.01 0.00 0.00 54.13 53.66 2oii s LEU 900 Cb -0.16 -2.43 -0.10 0.00 0.01 0.00 0.00 46.19 43.51 2oii s LEU 900 CO 0.10 -0.47 1.34 -0.89 1.01 0.00 0.00 176.35 177.44 2oii s THR 901 N 2.18 2.57 0.01 5.49 2.01 -1.26 -4.96 115.64 121.68 2oii s THR 901 Ca 0.14 0.55 -0.14 0.00 0.31 0.00 0.00 61.69 62.55 2oii s THR 901 Cb -0.16 -3.34 -0.08 0.00 0.01 0.00 0.00 72.50 68.93 2oii s THR 901 CO 0.13 0.11 0.97 1.23 -0.69 0.00 0.00 174.62 176.38 2oii h GLY 902 N 3.07 -0.51 -6.35 4.40 0.00 -2.00 -3.48 103.07 98.20 2oii h GLY 902 Ca -0.49 0.19 -0.38 0.00 0.00 0.00 0.00 47.33 46.64 2oii h GLY 902 CO 0.64 -0.19 -0.81 1.57 0.00 0.00 0.00 176.54 177.75 2oii n HIS 903 N -3.63 -2.14 0.59 5.60 -0.00 -1.26 -4.71 115.22 109.68 2oii n HIS 903 Ca -0.06 0.72 0.06 0.00 -0.00 0.00 0.00 57.72 58.44 2oii n HIS 903 Cb 0.19 -3.22 0.32 0.00 -0.00 0.00 0.00 29.99 27.28 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 -3.10 0.15 0.00 1.57 1.85 -1.26 -3.64 116.66 112.23 2oii n ARG 904 Ca -0.17 0.18 0.01 0.00 -1.00 0.00 0.00 57.85 56.87 2oii n ARG 904 Cb 0.61 -1.50 0.06 0.00 -1.05 0.00 0.00 32.46 30.58 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 -1.32 0.00 -0.93 2.89 -0.00 -1.26 -4.95 115.22 109.64 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 -0.74 0.00 0.00 1.57 0.28 -0.67 -5.11 120.64 115.97 2oii n GLU 906 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 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 -4.06 3.44 4.81 19.61 -4.45 118.16 137.52 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 -3.07 1.83 -0.15 3.15 1.01 -1.26 -2.19 120.40 119.72 2oii s VAL 908 Ca 0.00 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 2oii s VAL 908 Cb 0.00 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 2oii s VAL 908 CO 0.00 0.38 0.18 -0.70 0.00 0.00 0.00 175.10 174.96 2oii s GLU 909 N 1.35 3.93 -0.25 2.72 2.56 0.11 -4.46 118.70 124.67 2oii s GLU 909 Ca 0.02 -0.09 -0.10 0.00 0.00 0.00 0.00 54.97 54.81 2oii s GLU 909 Cb -0.14 -3.33 0.10 0.00 2.00 0.00 0.00 34.13 32.76 2oii s GLU 909 CO -0.10 0.48 0.55 0.00 -0.56 0.00 0.00 175.26 175.63 2oii s ALA 910 N -0.19 -1.62 -0.03 6.30 0.00 -1.24 -1.47 121.76 123.51 2oii s ALA 910 Ca 0.13 1.99 -0.25 0.00 0.00 0.00 0.00 51.96 53.83 2oii s ALA 910 Cb -0.12 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 2oii s ALA 910 CO 0.02 -0.71 0.76 0.08 0.00 0.00 0.00 175.76 175.91 2oii s VAL 911 N 2.44 4.94 0.79 0.00 1.01 -1.22 -2.00 120.40 126.36 2oii s VAL 911 Ca -0.06 1.58 -0.12 0.00 0.00 0.00 0.00 61.98 63.39 2oii s VAL 911 Cb -0.10 -4.10 0.07 0.00 0.00 0.00 0.00 36.38 32.25 2oii s VAL 911 CO -0.16 0.27 1.14 -0.76 0.00 0.00 0.00 175.10 175.58 2oii s LEU 912 N 0.61 3.09 -0.04 3.92 1.43 0.29 -4.36 118.68 123.61 2oii s LEU 912 Ca 0.40 2.08 0.04 0.00 -1.03 0.00 0.00 54.13 55.62 2oii s LEU 912 Cb -0.19 -4.56 -0.00 0.00 0.03 0.00 0.00 46.19 41.48 2oii s LEU 912 CO 0.21 -2.37 -0.15 -0.55 0.23 0.00 0.00 176.35 173.72 2oii s SER 913 N -2.75 1.91 0.72 2.29 0.15 -0.93 -3.49 113.70 111.60 2oii s SER 913 Ca 0.67 -0.31 -0.14 0.00 0.70 0.00 0.00 55.95 56.86 2oii s SER 913 Cb -0.22 -0.56 0.03 0.00 -1.71 0.00 0.00 66.02 63.57 2oii s SER 913 CO 0.52 0.12 1.16 0.00 1.20 0.00 0.00 173.24 176.25 2oii s ARG 914 N 0.13 2.29 0.00 5.44 3.03 -1.26 -1.14 118.95 127.44 2oii s ARG 914 Ca -0.05 1.59 0.00 0.00 2.03 0.00 0.00 55.73 59.31 2oii s ARG 914 Cb -0.11 -1.87 0.00 0.00 -1.03 0.00 0.00 34.95 31.94 2oii s ARG 914 CO 0.02 -1.69 0.00 -1.13 -1.13 0.00 0.00 175.30 171.37 2oii n SER 915 N -2.76 0.00 0.00 -2.89 3.41 -1.26 -4.55 113.62 105.57 2oii n SER 915 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 2oii n SER 915 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2oii n SER 915 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2oii n ASN 916 N 0.97 4.34 -1.01 4.04 3.02 -1.21 -5.14 115.26 120.26 2oii n ASN 916 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.68 2oii n ASN 916 Cb 0.00 0.80 -0.06 0.00 -0.61 0.00 0.00 39.78 39.92 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 -1.38 -2.25 0.00 3.52 6.02 -0.29 -4.73 117.38 118.26 2oii n GLN 917 Ca 0.00 1.75 0.00 0.00 -0.01 0.00 0.00 57.00 58.74 2oii n GLN 917 Cb 0.07 -2.67 0.00 0.00 1.02 0.00 0.00 30.24 28.66 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 -3.72 3.52 2.86 1.08 0.00 -1.26 -4.49 105.19 103.18 2oii n GLY 918 Ca -0.04 0.06 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 -7.90 -3.03 1.61 0.31 -1.26 -2.20 118.33 105.86 2oii n VAL 919 Ca 0.00 1.46 -0.45 0.00 -0.01 0.00 0.00 64.34 65.35 2oii n VAL 919 Cb 0.00 -5.08 -0.03 0.00 -0.91 0.00 0.00 33.84 27.82 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 -0.89 3.48 -0.06 3.52 0.00 -1.24 -3.96 121.76 122.62 2oii s ALA 920 Ca -0.08 -2.67 -0.15 0.00 0.00 0.00 0.00 51.96 49.05 2oii s ALA 920 Cb 0.01 -3.83 -0.30 0.00 0.00 0.00 0.00 23.12 18.99 2oii s ALA 920 CO 0.46 -2.71 0.70 0.07 0.00 0.00 0.00 175.76 174.28 2oii h ARG 921 N 8.78 0.34 -3.04 0.00 0.11 -1.76 -3.30 114.38 115.51 2oii h ARG 921 Ca 0.01 -0.58 -0.79 0.00 0.10 0.00 0.00 59.98 58.72 2oii h ARG 921 Cb 1.04 0.22 -0.29 0.00 1.11 0.00 0.00 29.97 32.05 2oii h ARG 921 CO 1.05 1.28 0.60 0.28 0.10 0.00 0.00 179.97 183.28 2oii n VAL 922 N -3.82 4.92 -3.16 0.08 0.31 -1.26 -4.35 118.33 111.04 2oii n VAL 922 Ca -0.22 -5.75 -0.39 0.00 -0.01 0.00 0.00 64.34 57.97 2oii n VAL 922 Cb 0.97 -2.21 -0.05 0.00 -0.91 0.00 0.00 33.84 31.64 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 -1.06 6.97 -0.25 4.52 2.15 -1.26 -3.43 116.67 124.31 2oii s ASP 923 Ca 0.31 1.16 -0.02 0.00 0.43 0.00 0.00 52.55 54.43 2oii s ASP 923 Cb 0.02 -2.38 0.13 0.00 -0.30 0.00 0.00 42.92 40.39 2oii s ASP 923 CO 0.05 0.04 0.32 -0.55 -0.17 0.00 0.00 175.17 174.86 2oii s SER 924 N 0.11 0.97 -1.01 -0.34 0.15 -0.54 -5.02 113.70 108.01 2oii s SER 924 Ca 0.32 -0.26 -0.09 0.00 0.70 0.00 0.00 55.95 56.62 2oii s SER 924 Cb -0.18 0.75 0.26 0.00 -1.71 0.00 0.00 66.02 65.14 2oii s SER 924 CO 0.17 -0.34 0.98 -0.83 1.20 0.00 0.00 173.24 174.42 2oii s GLY 925 N 2.44 3.07 -0.02 9.45 0.00 -1.26 0.05 107.32 121.05 2oii s GLY 925 Ca 0.10 -3.72 0.08 0.00 0.00 0.00 0.00 44.72 41.19 2oii s GLY 925 CO -0.22 1.29 1.17 0.61 0.00 0.00 0.00 173.10 175.95 2oii n GLY 926 N 2.95 0.82 0.00 0.20 0.00 -0.93 -4.95 105.19 103.29 2oii n GLY 926 Ca 0.21 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.35 0.00 -4.71 2.61 -1.04 -1.26 -2.20 114.28 108.03 2oii n THR 946 Ca 0.10 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.78 2oii n THR 946 Cb 0.35 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.72 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 2.79 0.22 -4.42 1.43 -1.26 -4.99 118.68 112.45 2oii s LEU 947 Ca 0.00 -0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 52.67 2oii s LEU 947 Cb 0.00 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.59 2oii s LEU 947 CO 0.00 0.16 0.46 -0.83 0.23 0.00 0.00 176.35 176.37 2oii s GLY 948 N 0.37 0.39 -0.11 -3.19 0.00 -1.26 -5.04 107.32 98.48 2oii s GLY 948 Ca -0.10 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 43.92 2oii s GLY 948 CO 0.05 -0.58 -0.22 -1.34 0.00 0.00 0.00 173.10 171.01 2oii s VAL 949 N -3.98 2.24 0.05 1.40 -7.23 -1.26 -3.62 120.40 108.00 2oii s VAL 949 Ca 0.19 -0.95 0.04 0.00 -1.81 0.00 0.00 61.98 59.44 2oii s VAL 949 Cb -0.00 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 35.04 2oii s VAL 949 CO 0.05 0.55 -0.11 0.72 -0.31 0.00 0.00 175.10 176.00 2oii s PHE 950 N 0.35 0.98 0.03 2.82 -0.12 -1.24 -4.97 117.98 115.82 2oii s PHE 950 Ca -0.17 -0.42 0.00 0.00 -0.05 0.00 0.00 56.93 56.29 2oii s PHE 950 Cb -0.18 -0.57 0.00 0.00 -0.63 0.00 0.00 43.02 41.64 2oii s PHE 950 CO 0.08 0.00 0.00 0.43 -0.05 0.00 0.00 175.22 175.68 2oii n SER 951 N 1.63 0.24 0.00 1.98 7.64 -1.26 -4.30 113.62 119.54 2oii n SER 951 Ca -0.20 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.71 2oii n SER 951 Cb 0.55 -0.07 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 -3.09 0.02 0.00 -3.43 7.94 -1.26 -4.82 117.00 112.35 2oii n LEU 952 Ca 0.00 0.81 0.00 0.00 -1.11 0.00 0.00 56.01 55.71 2oii n LEU 952 Cb 0.36 -0.32 0.00 0.00 0.53 0.00 0.00 43.42 44.00 2oii n LEU 952 CO 0.00 -0.32 0.00 2.30 -1.11 0.00 0.00 177.39 178.26 2oii n ILE 953 N -1.45 0.00 0.00 1.96 -5.35 -1.26 -4.41 119.36 108.85 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 -4.63 117.00 113.84 2oii n LEU 954 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.64 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 1.40 -2.16 -0.00 0.00 0.00 177.39 176.63 2oii s PRO 955 N 0.00 2.97 0.10 1.47 0.04 -1.26 -4.89 135.00 133.43 2oii s PRO 955 Ca 0.00 -0.17 0.08 0.00 0.04 0.00 0.00 61.00 60.95 2oii s PRO 955 Cb 0.00 -4.67 -0.03 0.00 0.04 0.00 0.00 34.50 29.84 2oii s PRO 955 CO 0.00 -2.60 -0.21 -0.51 0.04 0.00 0.00 177.00 173.72 2oii s LEU 956 N 7.52 2.30 0.39 -3.56 1.02 -1.26 -5.03 118.68 120.06 2oii s LEU 956 Ca 0.54 -0.68 -0.17 0.00 0.02 0.00 0.00 54.13 53.84 2oii s LEU 956 Cb -0.07 -0.88 -0.10 0.00 0.02 0.00 0.00 46.19 45.15 2oii s LEU 956 CO 0.08 0.06 0.86 -1.10 0.02 0.00 0.00 176.35 176.27 2oii s GLN 957 N -1.89 4.08 -0.09 1.70 -0.21 -1.26 -4.98 119.66 117.01 2oii s GLN 957 Ca 0.06 0.88 -0.30 0.00 0.02 0.00 0.00 55.36 56.03 2oii s GLN 957 Cb -0.10 -2.29 -0.05 0.00 1.00 0.00 0.00 33.01 31.57 2oii s GLN 957 CO 0.04 0.02 1.60 0.00 -2.12 0.00 0.00 175.29 174.83 2oii s ALA 958 N -2.16 3.59 0.00 6.09 0.00 -1.26 -2.40 121.76 125.62 2oii s ALA 958 Ca 0.58 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.36 2oii s ALA 958 Cb -0.10 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.28 2oii s ALA 958 CO 0.18 -1.42 0.00 0.41 0.00 0.00 0.00 175.76 174.93 2oii n GLY 959 N 4.11 3.23 3.26 0.00 0.00 -0.27 -5.00 105.19 110.52 2oii n GLY 959 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 0.07 -2.57 -3.95 1.61 9.92 -1.01 -4.40 116.55 116.22 2oii n ASP 960 Ca 0.00 -0.27 -0.16 0.00 -0.53 0.00 0.00 54.79 53.83 2oii n ASP 960 Cb 0.00 -0.99 -0.15 0.00 -0.64 0.00 0.00 41.12 39.35 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 -2.23 0.42 -0.02 -3.53 2.01 -1.26 -3.53 115.64 107.50 2oii s THR 961 Ca 0.57 -0.21 -0.05 0.00 0.31 0.00 0.00 61.69 62.31 2oii s THR 961 Cb -0.14 -0.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 2oii s THR 961 CO 0.60 0.13 0.22 0.68 -0.69 0.00 0.00 174.62 175.56 2oii s VAL 962 N -0.00 5.38 0.01 3.82 -7.23 -1.22 -4.01 120.40 117.15 2oii s VAL 962 Ca 0.01 0.08 0.00 0.00 -1.81 0.00 0.00 61.98 60.25 2oii s VAL 962 Cb -0.03 -3.53 -0.01 0.00 0.56 0.00 0.00 36.38 33.37 2oii s VAL 962 CO -0.00 0.40 -0.02 0.00 -0.31 0.00 0.00 175.10 175.17 2oii s VAL 964 N -0.57 5.18 -0.13 0.00 1.01 -1.26 0.10 120.40 124.74 2oii s VAL 964 Ca -0.06 0.67 -0.19 0.00 0.00 0.00 0.00 61.98 62.41 2oii s VAL 964 Cb -0.04 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2oii s VAL 964 CO -0.00 0.53 0.50 -0.62 0.00 0.00 0.00 175.10 175.50 2oii s ASP 965 N -0.62 6.68 -0.46 3.32 2.15 -0.85 -4.76 116.67 122.13 2oii s ASP 965 Ca 0.21 0.81 0.09 0.00 0.43 0.00 0.00 52.55 54.09 2oii s ASP 965 Cb -0.15 -2.29 0.35 0.00 -0.30 0.00 0.00 42.92 40.52 2oii s ASP 965 CO 0.09 -0.04 0.83 -0.11 -0.17 0.00 0.00 175.17 175.77 2oii n LEU 966 N 3.89 2.43 -3.20 -1.34 7.94 -1.26 -3.73 117.00 121.73 2oii n LEU 966 Ca -0.06 -5.28 0.00 0.00 -1.11 0.00 0.00 56.01 49.56 2oii n LEU 966 Cb 0.51 0.16 -0.02 0.00 0.53 0.00 0.00 43.42 44.61 2oii n LEU 966 CO 0.43 2.31 0.06 -0.69 -1.11 0.00 0.00 177.39 178.39 2oii s VAL 967 N -3.34 -0.91 -0.38 1.96 1.01 -1.26 -5.05 120.40 112.43 2oii s VAL 967 Ca 0.44 -0.10 0.11 0.00 0.00 0.00 0.00 61.98 62.43 2oii s VAL 967 Cb 0.32 -0.69 0.35 0.00 0.00 0.00 0.00 36.38 36.37 2oii s VAL 967 CO -0.10 -0.08 0.82 0.23 0.00 0.00 0.00 175.10 175.97 2oii n MET 968 N 5.05 0.99 0.00 2.72 2.81 -1.26 -5.04 117.12 122.40 2oii n MET 968 Ca 0.06 -3.11 0.00 0.00 -1.81 0.00 0.00 57.70 52.84 2oii n MET 968 Cb 0.54 -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 0.25 3.47 0.06 3.03 0.00 -1.26 -4.13 105.19 106.61 2oii n GLY 969 Ca 0.20 -0.59 -0.04 0.00 0.00 0.00 0.00 46.02 45.59 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 -5.34 1.61 4.15 -2.02 -3.42 115.11 110.09 2oii h GLN 970 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.36 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 0.18 0.24 -0.11 -1.93 0.00 0.00 178.83 177.20 2oii n LEU 971 N -4.71 1.68 0.00 -2.39 7.94 -1.26 -4.78 117.00 113.47 2oii n LEU 971 Ca -0.04 -1.37 0.00 0.00 -1.11 0.00 0.00 56.01 53.49 2oii n LEU 971 Cb 0.14 -1.60 0.00 0.00 0.53 0.00 0.00 43.42 42.49 2oii n LEU 971 CO 0.07 -2.50 0.00 0.00 -1.11 0.00 0.00 177.39 173.86 2oii n ALA 972 N 17.87 0.00 -2.66 1.96 0.00 -1.26 -5.14 120.51 131.28 2oii n ALA 972 Ca 0.47 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.62 2oii n ALA 972 Cb 0.42 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 -0.08 2.33 -0.19 0.00 2.46 -1.26 -5.13 115.29 113.42 2oii s HIS 973 Ca 0.00 -0.75 -0.09 0.00 0.47 0.00 0.00 55.06 54.69 2oii s HIS 973 Cb 0.00 -1.73 -0.05 0.00 -0.13 0.00 0.00 32.58 30.67 2oii s HIS 973 CO 0.00 0.38 0.10 0.45 -2.47 0.00 0.00 174.74 173.21 2oii s SER 974 N -3.76 6.00 0.10 9.88 0.15 -1.26 -5.08 113.70 119.73 2oii s SER 974 Ca 0.27 0.18 -0.20 0.00 0.70 0.00 0.00 55.95 56.89 2oii s SER 974 Cb 0.08 -2.04 0.05 0.00 -1.71 0.00 0.00 66.02 62.39 2oii s SER 974 CO 0.14 0.18 0.49 -0.70 1.20 0.00 0.00 173.24 174.55 2oii s GLU 975 N 0.35 1.09 -0.40 5.44 -6.30 -1.26 -5.12 118.70 112.51 2oii s GLU 975 Ca 0.06 -0.46 0.02 0.00 -2.50 0.00 0.00 54.97 52.09 2oii s GLU 975 Cb -0.11 0.49 0.15 0.00 0.00 0.00 0.00 34.13 34.66 2oii s GLU 975 CO -0.01 -0.43 0.28 -1.83 0.02 0.00 0.00 175.26 173.29 2oii s GLU 976 N -3.21 0.85 0.30 4.30 4.04 -1.26 -5.13 118.70 118.59 2oii s GLU 976 Ca -0.01 -1.81 -0.05 0.00 0.04 0.00 0.00 54.97 53.14 2oii s GLU 976 Cb 0.00 -1.53 0.07 0.00 0.02 0.00 0.00 34.13 32.69 2oii s GLU 976 CO -0.08 -1.28 0.30 -0.35 -1.84 0.00 0.00 175.26 172.01 2oii n PRO 977 N 3.40 -1.20 -4.26 -4.83 -0.04 -1.26 -5.09 135.00 121.71 2oii n PRO 977 Ca 0.20 -0.47 -0.19 0.00 -0.04 0.00 0.00 63.50 62.99 2oii n PRO 977 Cb 0.41 -0.40 -0.11 0.00 -0.04 0.00 0.00 33.50 33.36 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 2.40 -0.11 1.53 1.02 -1.26 -5.02 118.68 117.24 2oii s LEU 978 Ca 0.19 -0.81 -0.13 0.00 0.02 0.00 0.00 54.13 53.40 2oii s LEU 978 Cb -0.01 -0.64 0.03 0.00 0.02 0.00 0.00 46.19 45.59 2oii s LEU 978 CO 0.14 -0.10 0.35 0.42 0.02 0.00 0.00 176.35 177.17 2oii s THR 979 N -2.01 0.01 -0.19 5.49 -4.23 -1.26 -4.85 115.64 108.61 2oii s THR 979 Ca 0.10 -0.10 -0.06 0.00 -1.18 0.00 0.00 61.69 60.45 2oii s THR 979 Cb -0.06 -0.52 -0.03 0.00 1.34 0.00 0.00 72.50 73.23 2oii s THR 979 CO 0.04 -0.05 0.03 -0.63 -0.54 0.00 0.00 174.62 173.47 2oii s ILE 980 N -0.13 4.41 -0.38 2.99 -1.09 -1.26 -4.45 121.20 121.29 2oii s ILE 980 Ca -0.03 -0.16 0.04 0.00 -2.23 0.00 0.00 60.65 58.27 2oii s ILE 980 Cb -0.03 -2.99 0.11 0.00 -1.58 0.00 0.00 42.46 37.97 2oii s ILE 980 CO 0.01 0.44 0.10 0.12 -1.23 0.00 0.00 174.94 174.39 2oii s PHE 981 N 0.64 3.59 0.23 3.97 2.19 -1.22 -3.06 117.98 124.32 2oii s PHE 981 Ca 0.01 -3.02 0.07 0.00 0.33 0.00 0.00 56.93 54.33 2oii s PHE 981 Cb -0.14 -2.88 -0.04 0.00 -1.31 0.00 0.00 43.02 38.66 2oii s PHE 981 CO 0.02 -0.90 0.12 -1.54 1.83 0.00 0.00 175.22 174.75 2oii s SER 982 N 0.64 5.24 -0.30 6.13 1.04 -1.21 -2.59 113.70 122.65 2oii s SER 982 Ca 0.12 -0.33 -0.14 0.00 0.48 0.00 0.00 55.95 56.08 2oii s SER 982 Cb -0.21 -1.25 0.18 0.00 0.10 0.00 0.00 66.02 64.84 2oii s SER 982 CO -0.06 0.00 1.10 -0.83 0.98 0.00 0.00 173.24 174.42 2oii s GLY 983 N -3.60 -0.43 0.14 7.32 0.00 -0.43 -2.94 107.32 107.37 2oii s GLY 983 Ca 0.32 2.70 0.06 0.00 0.00 0.00 0.00 44.72 47.79 2oii s GLY 983 CO 0.23 3.94 0.02 0.00 0.00 0.00 0.00 173.10 177.29 2oii s ALA 984 N 2.97 3.29 0.17 3.20 0.00 -1.04 -2.61 121.76 127.74 2oii s ALA 984 Ca 0.05 -1.24 -0.30 0.00 0.00 0.00 0.00 51.96 50.47 2oii s ALA 984 Cb -0.07 -1.13 -0.08 0.00 0.00 0.00 0.00 23.12 21.83 2oii s ALA 984 CO -0.13 0.58 1.22 -1.17 0.00 0.00 0.00 175.76 176.26 2oii s LEU 985 N -2.69 4.43 -0.09 0.00 2.96 -1.19 -2.79 118.68 119.32 2oii s LEU 985 Ca 0.27 2.24 -0.10 0.00 -0.22 0.00 0.00 54.13 56.32 2oii s LEU 985 Cb -0.10 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 2oii s LEU 985 CO 0.19 -0.42 -0.21 -0.11 -1.32 0.00 0.00 176.35 174.48 2oii n LEU 986 N 2.74 1.52 -3.85 -0.68 7.94 -1.23 -4.89 117.00 118.54 2oii n LEU 986 Ca 0.05 0.24 -0.12 0.00 -1.11 0.00 0.00 56.01 55.08 2oii n LEU 986 Cb 0.44 -0.56 -0.11 0.00 0.53 0.00 0.00 43.42 43.72 2oii n LEU 986 CO 0.56 -0.28 -0.19 -0.47 -1.11 0.00 0.00 177.39 175.90 2oii s TYR 987 N -2.50 -0.04 0.31 1.96 5.04 -0.91 -5.05 117.35 116.16 2oii s TYR 987 Ca -0.19 0.10 0.09 0.00 -2.44 0.00 0.00 57.07 54.63 2oii s TYR 987 Cb 0.04 -0.01 -0.04 0.00 0.35 0.00 0.00 41.96 42.30 2oii s TYR 987 CO 0.27 -0.19 0.07 0.20 -1.34 0.00 0.00 175.55 174.56 2oii s GLY 988 N -0.71 1.86 -0.34 8.97 0.00 -1.26 -1.78 107.32 114.05 2oii s GLY 988 Ca -0.08 -1.78 -0.29 0.00 0.00 0.00 0.00 44.72 42.57 2oii s GLY 988 CO 0.01 -1.76 1.41 0.99 0.00 0.00 0.00 173.10 173.74 2oii s ASP 989 N -3.77 6.46 -1.28 1.64 1.01 -1.15 -4.89 116.67 114.70 2oii s ASP 989 Ca 0.35 1.10 -0.10 0.00 0.71 0.00 0.00 52.55 54.61 2oii s ASP 989 Cb -0.04 -2.54 0.16 0.00 1.01 0.00 0.00 42.92 41.52 2oii s ASP 989 CO 0.21 -1.28 1.85 -0.81 0.21 0.00 0.00 175.17 175.36 2oii n PRO 990 N 7.72 3.59 0.00 8.23 -0.04 -1.26 -4.82 135.00 148.42 2oii n PRO 990 Ca 0.16 -3.53 0.00 0.00 -0.04 0.00 0.00 63.50 60.09 2oii n PRO 990 Cb 0.47 -2.94 0.00 0.00 -0.04 0.00 0.00 33.50 30.99 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 4.06 0.00 -1.42 0.54 1.02 -1.26 -4.72 120.64 118.86 2oii n GLU 991 Ca 0.40 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.42 2oii n GLU 991 Cb 0.37 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 -0.87 -4.92 -4.62 4.77 -1.26 -4.93 117.00 105.16 2oii n LEU 992 Ca 0.00 0.29 -0.26 0.00 -0.03 0.00 0.00 56.01 56.00 2oii n LEU 992 Cb 0.00 -1.85 -0.02 0.00 -2.33 0.00 0.00 43.42 39.22 2oii n LEU 992 CO 0.00 -0.58 0.19 -1.61 -1.33 0.00 0.00 177.39 174.06 2oii s GLU 993 N -3.14 3.55 -0.35 3.23 2.02 -1.26 -5.08 118.70 117.68 2oii s GLU 993 Ca 0.00 -0.16 0.02 0.00 0.02 0.00 0.00 54.97 54.85 2oii s GLU 993 Cb 0.00 -2.66 0.15 0.00 0.10 0.00 0.00 34.13 31.72 2oii s GLU 993 CO 0.00 0.18 0.34 -1.01 0.02 0.00 0.00 175.26 174.79 2oii s HIS 994 N -2.19 -0.21 -1.21 1.61 3.76 -1.26 -5.25 115.29 110.54 2oii s HIS 994 Ca 0.42 -0.77 0.00 0.00 -0.15 0.00 0.00 55.06 54.56 2oii s HIS 994 Cb -0.10 -0.48 0.00 0.00 1.11 0.00 0.00 32.58 33.11 2oii s HIS 994 CO 0.33 -0.94 0.30 0.00 -0.85 0.00 0.00 174.74 173.58