#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 0.84 0.11 0.52 1.01 -1.26 -4.98 120.40 116.65 2oii s VAL 847 Ca 0.00 -1.16 0.34 0.00 0.00 0.00 0.00 61.98 61.16 2oii s VAL 847 Cb 0.00 -1.51 0.39 0.00 0.00 0.00 0.00 36.38 35.26 2oii s VAL 847 CO 0.00 -0.50 2.00 1.55 0.00 0.00 0.00 175.10 178.15 2oii h PRO 848 N 8.12 0.00 -5.70 2.72 0.13 -2.02 -3.47 132.00 131.78 2oii h PRO 848 Ca -0.15 0.00 -0.16 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 0.00 -0.36 0.94 -0.23 0.00 0.00 178.00 178.78 2oii n GLN 849 N -3.07 -0.52 -5.11 0.86 7.27 -1.26 -4.92 117.38 110.63 2oii n GLN 849 Ca 0.00 0.19 -0.32 0.00 0.07 0.00 0.00 57.00 56.95 2oii n GLN 849 Cb 0.29 -0.67 -0.15 0.00 2.41 0.00 0.00 30.24 32.13 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 -2.49 2.49 0.14 1.69 1.01 -1.26 -5.11 120.40 116.87 2oii s VAL 850 Ca 0.01 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.14 2oii s VAL 850 Cb -0.01 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2oii s VAL 850 CO 0.29 0.58 -0.15 0.00 0.00 0.00 0.00 175.10 175.81 2oii s ALA 851 N -0.45 1.72 -0.28 5.51 0.00 -1.26 -3.21 121.76 123.78 2oii s ALA 851 Ca 0.05 -1.40 -0.15 0.00 0.00 0.00 0.00 51.96 50.46 2oii s ALA 851 Cb -0.12 -0.11 0.09 0.00 0.00 0.00 0.00 23.12 22.98 2oii s ALA 851 CO 0.01 0.14 0.70 -0.59 0.00 0.00 0.00 175.76 176.02 2oii s PHE 852 N -2.21 -1.08 -0.29 0.00 -0.12 -0.95 -3.80 117.98 109.53 2oii s PHE 852 Ca 0.13 2.12 -0.20 0.00 -0.05 0.00 0.00 56.93 58.92 2oii s PHE 852 Cb -0.05 0.65 0.18 0.00 -0.63 0.00 0.00 43.02 43.17 2oii s PHE 852 CO 0.04 -0.53 1.24 0.45 -0.05 0.00 0.00 175.22 176.37 2oii s SER 853 N 1.77 -0.19 0.10 1.98 0.15 -0.88 -1.69 113.70 114.94 2oii s SER 853 Ca -0.09 0.33 0.02 0.00 0.70 0.00 0.00 55.95 56.91 2oii s SER 853 Cb -0.06 0.74 -0.04 0.00 -1.71 0.00 0.00 66.02 64.95 2oii s SER 853 CO -0.20 -0.05 -0.08 0.00 1.20 0.00 0.00 173.24 174.11 2oii s ALA 854 N 0.66 1.03 -0.00 5.45 0.00 -1.12 -3.36 121.76 124.41 2oii s ALA 854 Ca -0.02 -1.29 0.07 0.00 0.00 0.00 0.00 51.96 50.72 2oii s ALA 854 Cb -0.04 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 2oii s ALA 854 CO -0.12 -0.17 -0.23 0.00 0.00 0.00 0.00 175.76 175.24 2oii s ALA 855 N -3.21 1.90 -0.12 0.00 0.00 -1.01 -3.38 121.76 115.94 2oii s ALA 855 Ca 0.10 -1.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.01 2oii s ALA 855 Cb 0.02 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 2oii s ALA 855 CO -0.03 0.46 -0.01 -1.17 0.00 0.00 0.00 175.76 175.01 2oii s LEU 856 N -0.68 3.45 0.00 0.00 1.98 -1.26 -2.57 118.68 119.61 2oii s LEU 856 Ca 0.09 0.03 0.00 0.00 -2.89 0.00 0.00 54.13 51.36 2oii s LEU 856 Cb -0.09 -1.81 0.00 0.00 0.66 0.00 0.00 46.19 44.95 2oii s LEU 856 CO -0.00 0.28 0.56 -1.54 -1.89 0.00 0.00 176.35 173.77 2oii n SER 857 N 2.77 0.00 -2.00 3.68 3.41 -1.26 -4.83 113.62 115.38 2oii n SER 857 Ca -0.18 -1.27 -0.18 0.00 -0.26 0.00 0.00 58.87 56.98 2oii n SER 857 Cb 0.53 -0.05 0.01 0.00 -0.26 0.00 0.00 64.21 64.44 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 -2.24 0.00 1.04 -0.00 -1.26 -4.94 117.00 109.60 2oii n LEU 858 Ca 0.00 0.22 0.00 0.00 -0.00 0.00 0.00 56.01 56.23 2oii n LEU 858 Cb 0.55 -0.39 0.00 0.00 -0.00 0.00 0.00 43.42 43.58 2oii n LEU 858 CO 0.00 -2.56 0.03 -0.81 -0.00 0.00 0.00 177.39 174.05 2oii n PRO 859 N 0.92 0.00 0.00 1.47 -0.04 -1.26 -5.03 135.00 131.06 2oii n PRO 859 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2oii n PRO 859 Cb 0.24 -0.52 0.00 0.00 -0.04 0.00 0.00 33.50 33.19 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 -0.06 2.06 -1.63 0.54 1.85 -1.26 -5.05 116.66 113.11 2oii n ARG 860 Ca 0.00 0.00 -0.64 0.00 -1.00 0.00 0.00 57.85 56.21 2oii n ARG 860 Cb 0.00 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.31 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 1.11 -4.90 2.89 7.64 -1.26 -4.93 113.62 114.17 2oii n SER 861 Ca 0.00 1.09 -0.32 0.00 1.01 0.00 0.00 58.87 60.65 2oii n SER 861 Cb 0.00 -0.84 -0.04 0.00 -1.01 0.00 0.00 64.21 62.31 2oii n SER 861 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2oii s GLU 862 N 3.15 3.55 0.19 1.43 2.12 -1.26 -4.97 118.70 122.90 2oii s GLU 862 Ca 1.02 -0.22 0.20 0.00 0.36 0.00 0.00 54.97 56.32 2oii s GLU 862 Cb -1.43 -2.94 0.86 0.00 0.26 0.00 0.00 34.13 30.88 2oii s GLU 862 CO 0.77 0.53 1.60 -0.35 -0.54 0.00 0.00 175.26 177.27 2oii n PRO 863 N 0.24 0.13 0.00 4.30 -0.04 -1.26 -4.90 135.00 133.47 2oii n PRO 863 Ca -0.04 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 2oii n PRO 863 Cb 0.52 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 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 -0.32 1.56 3.76 0.55 0.00 -1.26 -5.15 105.19 104.33 2oii n GLY 864 Ca 0.02 0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 0.97 3.24 -0.06 2.61 2.01 -1.26 -5.00 115.64 118.16 2oii s THR 865 Ca 0.00 0.41 -0.20 0.00 0.31 0.00 0.00 61.69 62.22 2oii s THR 865 Cb 0.00 -2.88 -0.05 0.00 0.01 0.00 0.00 72.50 69.59 2oii s THR 865 CO 0.00 -0.52 0.55 0.68 -0.69 0.00 0.00 174.62 174.65 2oii s VAL 866 N -2.85 5.04 0.00 3.82 -7.23 -1.26 -5.07 120.40 112.85 2oii s VAL 866 Ca 0.62 1.14 0.00 0.00 -1.81 0.00 0.00 61.98 61.93 2oii s VAL 866 Cb -0.18 -3.89 0.00 0.00 0.56 0.00 0.00 36.38 32.87 2oii s VAL 866 CO 0.55 0.37 0.00 -0.81 -0.31 0.00 0.00 175.10 174.90 2oii n PRO 867 N 3.17 2.84 -3.64 4.82 -0.04 -1.26 -4.77 135.00 136.12 2oii n PRO 867 Ca -0.07 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.27 2oii n PRO 867 Cb 0.51 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 1.15 -0.55 -0.86 0.54 -0.71 -1.26 -4.75 117.98 111.54 2oii s PHE 868 Ca 0.00 1.10 0.08 0.00 -1.04 0.00 0.00 56.93 57.08 2oii s PHE 868 Cb 0.00 0.05 0.02 0.00 -1.21 0.00 0.00 43.02 41.88 2oii s PHE 868 CO 0.00 -0.42 0.63 -0.40 -1.34 0.00 0.00 175.22 173.70 2oii n ASP 869 N 5.36 1.29 -4.45 1.98 5.75 -1.24 -4.87 116.55 120.37 2oii n ASP 869 Ca -0.07 -1.14 -0.44 0.00 -0.01 0.00 0.00 54.79 53.13 2oii n ASP 869 Cb 0.50 0.32 -0.02 0.00 -1.03 0.00 0.00 41.12 40.89 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 -1.05 3.67 -0.77 0.11 1.81 -1.06 -4.97 118.95 116.68 2oii s ARG 870 Ca 0.08 -1.90 -0.26 0.00 -1.72 0.00 0.00 55.73 51.93 2oii s ARG 870 Cb 0.07 -4.92 0.00 0.00 -0.45 0.00 0.00 34.95 29.66 2oii s ARG 870 CO 0.18 -1.75 1.60 0.08 -0.68 0.00 0.00 175.30 174.72 2oii s VAL 871 N 2.43 3.59 -0.12 3.52 1.01 -1.26 -2.41 120.40 127.15 2oii s VAL 871 Ca 0.33 0.03 -0.22 0.00 0.00 0.00 0.00 61.98 62.13 2oii s VAL 871 Cb -0.05 -4.48 -0.26 0.00 0.00 0.00 0.00 36.38 31.59 2oii s VAL 871 CO -0.08 -1.42 0.61 -0.07 0.00 0.00 0.00 175.10 174.14 2oii h LEU 872 N 14.83 0.22 -6.00 3.92 3.38 -1.93 -3.47 115.31 126.26 2oii h LEU 872 Ca -0.14 -0.85 0.23 0.00 0.09 0.00 0.00 57.88 57.22 2oii h LEU 872 Cb 1.07 -0.07 -0.20 0.00 0.09 0.00 0.00 40.66 41.56 2oii h LEU 872 CO 1.27 1.38 0.07 -0.22 0.09 0.00 0.00 178.44 181.03 2oii s LEU 873 N -7.87 -0.40 0.00 1.67 2.96 -1.22 -5.03 118.68 108.80 2oii s LEU 873 Ca -0.20 0.13 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 2oii s LEU 873 Cb 0.02 1.28 0.00 0.00 0.50 0.00 0.00 46.19 47.99 2oii s LEU 873 CO 0.72 -0.07 0.00 -3.20 -1.32 0.00 0.00 176.35 172.48 2oii n ASN 874 N 5.28 0.00 -0.06 3.68 2.85 -1.25 -2.06 115.26 123.70 2oii n ASN 874 Ca 0.02 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.37 2oii n ASN 874 Cb 0.56 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.52 2oii n ASN 874 CO 0.00 0.00 0.00 -2.24 -2.11 0.00 0.00 177.26 172.91 2oii h ASP 875 N 0.00 0.31 1.08 1.20 2.03 -2.00 -3.17 116.42 115.86 2oii h ASP 875 Ca 0.00 -0.34 -0.08 0.00 -0.73 0.00 0.00 57.03 55.88 2oii h ASP 875 Cb 0.00 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 38.40 2oii h ASP 875 CO 0.00 0.58 -0.39 1.23 -1.03 0.00 0.00 179.24 179.63 2oii h GLY 876 N 0.03 0.00 0.00 7.15 0.00 -1.97 -3.47 103.07 104.82 2oii h GLY 876 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 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 0.55 1.78 5.00 4.60 0.00 -1.20 -4.87 105.19 111.04 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 -3.83 1.61 4.01 -1.26 -4.68 117.16 113.01 2oii n TYR 878 Ca 0.00 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.38 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 3.28 -0.07 -0.72 1.13 -1.26 -3.42 117.35 116.30 2oii s TYR 879 Ca 0.00 -1.72 -0.30 0.00 -1.41 0.00 0.00 57.07 53.64 2oii s TYR 879 Cb 0.00 -2.27 -0.06 0.00 -1.10 0.00 0.00 41.96 38.53 2oii s TYR 879 CO 0.00 -0.79 1.77 -0.51 -2.51 0.00 0.00 175.55 173.51 2oii s ASP 880 N 1.37 6.48 0.00 -0.18 1.01 -1.16 -4.86 116.67 119.33 2oii s ASP 880 Ca -0.03 2.23 0.26 0.00 0.71 0.00 0.00 52.55 55.73 2oii s ASP 880 Cb -0.20 -2.53 1.57 0.00 1.01 0.00 0.00 42.92 42.77 2oii s ASP 880 CO 0.00 -1.08 1.93 -0.81 0.21 0.00 0.00 175.17 175.42 2oii n PRO 881 N 7.43 0.84 0.02 8.23 -0.04 -1.26 0.11 135.00 150.34 2oii n PRO 881 Ca 0.19 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.63 2oii n PRO 881 Cb 0.43 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.11 0.00 0.54 5.08 -1.89 -3.37 114.58 114.83 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 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2oii h GLU 882 CO 0.00 -0.07 -1.25 0.25 -1.00 0.00 0.00 179.01 176.94 2oii n THR 883 N -3.52 0.28 -0.96 1.13 -2.24 -1.25 -4.97 114.28 102.76 2oii n THR 883 Ca -0.01 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2oii n THR 883 Cb 0.04 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 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 1.28 0.55 3.56 3.38 0.00 0.30 -4.47 105.19 109.79 2oii n GLY 884 Ca -0.00 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 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 3.60 -0.55 1.61 1.01 -1.07 -4.36 120.40 118.63 2oii s VAL 885 Ca 0.00 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.30 2oii s VAL 885 Cb 0.00 -4.35 0.06 0.00 0.00 0.00 0.00 36.38 32.09 2oii s VAL 885 CO 0.00 -1.27 0.80 0.12 0.00 0.00 0.00 175.10 174.75 2oii s PHE 886 N 8.38 2.89 -0.58 5.22 2.19 -1.24 -3.00 117.98 131.84 2oii s PHE 886 Ca 0.62 -0.38 -0.19 0.00 0.33 0.00 0.00 56.93 57.31 2oii s PHE 886 Cb -0.05 -3.89 0.10 0.00 -1.31 0.00 0.00 43.02 37.87 2oii s PHE 886 CO -0.03 -1.27 0.68 0.99 1.83 0.00 0.00 175.22 177.42 2oii s THR 887 N 3.34 4.85 -0.46 0.12 2.01 -1.22 -3.45 115.64 120.83 2oii s THR 887 Ca 0.22 -0.96 -0.16 0.00 0.31 0.00 0.00 61.69 61.09 2oii s THR 887 Cb -0.17 -4.45 0.06 0.00 0.01 0.00 0.00 72.50 67.95 2oii s THR 887 CO 0.14 -1.07 0.41 0.00 -0.69 0.00 0.00 174.62 173.41 2oii s ALA 888 N 2.61 3.52 -0.85 7.40 0.00 -1.23 -4.77 121.76 128.43 2oii s ALA 888 Ca 0.11 -1.97 0.25 0.00 0.00 0.00 0.00 51.96 50.35 2oii s ALA 888 Cb -0.24 -3.07 0.46 0.00 0.00 0.00 0.00 23.12 20.27 2oii s ALA 888 CO 0.07 -1.70 1.38 -0.35 0.00 0.00 0.00 175.76 175.16 2oii n PRO 889 N 5.33 0.12 -0.28 0.00 -0.04 -1.26 -1.47 135.00 137.39 2oii n PRO 889 Ca -0.11 0.03 0.03 0.00 -0.04 0.00 0.00 63.50 63.41 2oii n PRO 889 Cb 0.45 -1.57 0.08 0.00 -0.04 0.00 0.00 33.50 32.42 2oii n PRO 889 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2oii n LEU 890 N -1.74 -0.34 -2.85 1.53 0.00 -1.26 -4.88 117.00 107.46 2oii n LEU 890 Ca 0.05 1.32 -0.02 0.00 0.00 0.00 0.00 56.01 57.36 2oii n LEU 890 Cb 0.38 -0.37 -0.01 0.00 0.00 0.00 0.00 43.42 43.41 2oii n LEU 890 CO 0.35 -1.24 -0.45 0.00 0.00 0.00 0.00 177.39 176.05 2oii n ALA 891 N -3.68 -2.75 0.00 1.96 0.00 -1.26 -4.63 120.51 110.15 2oii n ALA 891 Ca 0.11 0.89 0.00 0.00 0.00 0.00 0.00 53.44 54.44 2oii n ALA 891 Cb 0.36 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.85 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 1.51 -0.26 3.47 0.00 0.00 -1.26 -2.09 105.19 106.56 2oii n GLY 892 Ca -0.13 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 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 3.64 0.03 1.61 3.52 -0.82 -4.93 118.95 119.99 2oii s ARG 893 Ca 0.00 -0.52 0.04 0.00 -0.13 0.00 0.00 55.73 55.12 2oii s ARG 893 Cb 0.00 -2.97 -0.02 0.00 -1.56 0.00 0.00 34.95 30.40 2oii s ARG 893 CO 0.00 0.15 -0.13 -0.47 -0.81 0.00 0.00 175.30 174.05 2oii s TYR 894 N 0.60 1.11 -0.34 5.12 5.04 -1.26 -2.71 117.35 124.90 2oii s TYR 894 Ca -0.02 -0.32 -0.13 0.00 -2.44 0.00 0.00 57.07 54.16 2oii s TYR 894 Cb -0.14 -0.67 -0.02 0.00 0.35 0.00 0.00 41.96 41.48 2oii s TYR 894 CO 0.02 0.01 0.27 -1.17 -1.34 0.00 0.00 175.55 173.34 2oii s LEU 895 N -0.92 4.52 0.04 6.97 2.96 -1.21 -4.74 118.68 126.29 2oii s LEU 895 Ca 0.01 -0.39 0.05 0.00 -0.22 0.00 0.00 54.13 53.58 2oii s LEU 895 Cb -0.07 -2.18 -0.03 0.00 0.50 0.00 0.00 46.19 44.40 2oii s LEU 895 CO 0.01 -0.26 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.46 2oii s LEU 896 N 1.79 3.06 -0.11 -0.68 0.20 -1.26 -2.79 118.68 118.88 2oii s LEU 896 Ca 0.07 -0.25 -0.04 0.00 0.69 0.00 0.00 54.13 54.61 2oii s LEU 896 Cb -0.17 -1.79 0.06 0.00 -0.43 0.00 0.00 46.19 43.86 2oii s LEU 896 CO 0.11 0.25 0.20 -0.44 -0.29 0.00 0.00 176.35 176.18 2oii s SER 897 N -1.63 0.67 0.05 3.68 0.01 -1.16 -4.94 113.70 110.38 2oii s SER 897 Ca 0.18 0.37 0.03 0.00 1.31 0.00 0.00 55.95 57.84 2oii s SER 897 Cb -0.11 0.43 -0.04 0.00 0.21 0.00 0.00 66.02 66.51 2oii s SER 897 CO 0.09 -0.25 0.01 0.00 0.41 0.00 0.00 173.24 173.50 2oii s ALA 898 N 2.34 3.32 -0.24 1.44 0.00 -1.26 -3.36 121.76 123.99 2oii s ALA 898 Ca 0.03 -1.03 -0.18 0.00 0.00 0.00 0.00 51.96 50.77 2oii s ALA 898 Cb -0.12 -1.29 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 2oii s ALA 898 CO -0.07 0.68 0.53 0.08 0.00 0.00 0.00 175.76 176.98 2oii s VAL 899 N -1.22 5.07 -0.40 0.00 1.01 -1.18 -5.04 120.40 118.64 2oii s VAL 899 Ca 0.23 0.92 -0.18 0.00 0.00 0.00 0.00 61.98 62.96 2oii s VAL 899 Cb -0.12 -3.84 0.01 0.00 0.00 0.00 0.00 36.38 32.44 2oii s VAL 899 CO 0.15 0.11 0.49 -0.76 0.00 0.00 0.00 175.10 175.09 2oii s LEU 900 N 2.14 4.62 0.36 3.92 2.01 -1.26 -4.73 118.68 125.75 2oii s LEU 900 Ca 0.22 -0.40 -0.27 0.00 0.01 0.00 0.00 54.13 53.69 2oii s LEU 900 Cb -0.16 -2.50 -0.09 0.00 0.01 0.00 0.00 46.19 43.45 2oii s LEU 900 CO 0.09 -0.57 1.26 -0.89 1.01 0.00 0.00 176.35 177.25 2oii s THR 901 N 2.33 2.83 -0.00 5.49 2.01 -1.26 -4.97 115.64 122.07 2oii s THR 901 Ca 0.16 0.78 -0.11 0.00 0.31 0.00 0.00 61.69 62.82 2oii s THR 901 Cb -0.16 -3.47 -0.06 0.00 0.01 0.00 0.00 72.50 68.82 2oii s THR 901 CO 0.14 0.14 0.78 1.23 -0.69 0.00 0.00 174.62 176.22 2oii h GLY 902 N 3.04 -0.43 -6.36 4.40 0.00 -2.00 -3.48 103.07 98.24 2oii h GLY 902 Ca -0.49 0.16 -0.39 0.00 0.00 0.00 0.00 47.33 46.61 2oii h GLY 902 CO 0.64 -0.16 -0.82 1.42 0.00 0.00 0.00 176.54 177.62 2oii n HIS 903 N -3.66 -2.13 0.65 5.60 -0.00 -1.26 -4.62 115.22 109.81 2oii n HIS 903 Ca -0.05 0.71 0.07 0.00 -0.00 0.00 0.00 57.72 58.45 2oii n HIS 903 Cb 0.16 -3.22 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 -3.13 0.19 0.00 -0.41 1.85 -1.26 -3.67 116.66 110.22 2oii n ARG 904 Ca -0.17 0.16 0.01 0.00 -1.00 0.00 0.00 57.85 56.85 2oii n ARG 904 Cb 0.61 -1.50 0.06 0.00 -1.05 0.00 0.00 32.46 30.59 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 -1.30 0.00 -0.99 2.89 -0.00 -1.26 -4.95 115.22 109.61 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 -0.75 0.00 0.00 1.57 0.28 -0.22 -5.10 120.64 116.43 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 8.10 -4.37 118.16 126.07 2oii n LYS 907 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.12 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 -3.13 1.86 -0.17 3.15 1.01 -1.26 -2.35 120.40 119.52 2oii s VAL 908 Ca 0.00 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 60.93 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 0.36 0.10 -0.70 0.00 0.00 0.00 175.10 174.86 2oii s GLU 909 N 1.34 3.85 -0.24 2.72 2.56 0.12 -4.44 118.70 124.62 2oii s GLU 909 Ca 0.02 -0.25 -0.10 0.00 0.00 0.00 0.00 54.97 54.65 2oii s GLU 909 Cb -0.15 -3.26 0.10 0.00 2.00 0.00 0.00 34.13 32.82 2oii s GLU 909 CO -0.10 0.44 0.53 0.00 -0.56 0.00 0.00 175.26 175.57 2oii s ALA 910 N -0.08 -1.53 -0.01 6.30 0.00 -1.24 -1.19 121.76 124.01 2oii s ALA 910 Ca 0.09 1.92 -0.26 0.00 0.00 0.00 0.00 51.96 53.71 2oii s ALA 910 Cb -0.12 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 2oii s ALA 910 CO 0.00 -0.68 0.79 0.08 0.00 0.00 0.00 175.76 175.95 2oii s VAL 911 N 2.38 4.87 0.76 0.00 1.01 -1.22 -2.22 120.40 125.98 2oii s VAL 911 Ca -0.05 1.67 -0.12 0.00 0.00 0.00 0.00 61.98 63.47 2oii s VAL 911 Cb -0.10 -4.14 0.05 0.00 0.00 0.00 0.00 36.38 32.19 2oii s VAL 911 CO -0.16 0.28 1.13 -0.76 0.00 0.00 0.00 175.10 175.58 2oii s LEU 912 N 0.50 3.15 -0.03 3.92 1.43 0.23 -4.34 118.68 123.54 2oii s LEU 912 Ca 0.41 2.03 0.05 0.00 -1.03 0.00 0.00 54.13 55.60 2oii s LEU 912 Cb -0.20 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.46 2oii s LEU 912 CO 0.22 -2.14 -0.19 -0.94 0.23 0.00 0.00 176.35 173.53 2oii s SER 913 N -2.80 2.35 0.72 2.29 1.04 -0.83 -3.45 113.70 113.02 2oii s SER 913 Ca 0.66 -0.38 -0.14 0.00 0.48 0.00 0.00 55.95 56.57 2oii s SER 913 Cb -0.21 -0.46 0.04 0.00 0.10 0.00 0.00 66.02 65.48 2oii s SER 913 CO 0.50 0.21 1.16 0.00 0.98 0.00 0.00 173.24 176.09 2oii s ARG 914 N -0.23 2.28 0.00 4.02 1.70 -1.26 -1.05 118.95 124.42 2oii s ARG 914 Ca 0.02 1.58 0.00 0.00 -0.47 0.00 0.00 55.73 56.85 2oii s ARG 914 Cb -0.10 -1.87 0.00 0.00 -0.57 0.00 0.00 34.95 32.41 2oii s ARG 914 CO 0.01 -1.68 0.00 -1.13 -1.08 0.00 0.00 175.30 171.41 2oii n SER 915 N -2.79 0.00 0.00 -2.89 3.41 -1.26 -4.54 113.62 105.55 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 0.99 4.31 -0.96 4.04 3.02 -1.21 -5.14 115.26 120.29 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 0.78 -0.05 0.00 -0.61 0.00 0.00 39.78 39.90 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 -1.39 -2.14 0.00 3.52 6.02 -0.21 -4.74 117.38 118.44 2oii n GLN 917 Ca 0.00 1.65 0.00 0.00 -0.01 0.00 0.00 57.00 58.64 2oii n GLN 917 Cb 0.08 -2.53 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 -3.66 3.53 2.84 1.08 0.00 -1.26 -4.44 105.19 103.28 2oii n GLY 918 Ca -0.04 0.06 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 -8.39 -2.98 1.61 0.31 -1.26 -1.97 118.33 105.65 2oii n VAL 919 Ca 0.00 1.56 -0.44 0.00 -0.01 0.00 0.00 64.34 65.44 2oii n VAL 919 Cb 0.00 -5.25 -0.03 0.00 -0.91 0.00 0.00 33.84 27.65 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 -0.91 3.44 -0.07 3.52 0.00 -1.23 -3.95 121.76 122.56 2oii s ALA 920 Ca -0.09 -2.75 -0.15 0.00 0.00 0.00 0.00 51.96 48.97 2oii s ALA 920 Cb 0.01 -3.95 -0.29 0.00 0.00 0.00 0.00 23.12 18.88 2oii s ALA 920 CO 0.50 -2.86 0.65 0.07 0.00 0.00 0.00 175.76 174.11 2oii h ARG 921 N 8.77 0.32 -3.13 0.00 0.11 -1.76 -3.28 114.38 115.42 2oii h ARG 921 Ca 0.10 -0.55 -0.79 0.00 0.10 0.00 0.00 59.98 58.85 2oii h ARG 921 Cb 1.03 0.20 -0.29 0.00 1.11 0.00 0.00 29.97 32.02 2oii h ARG 921 CO 1.07 1.26 0.53 0.28 0.10 0.00 0.00 179.97 183.21 2oii n VAL 922 N -3.81 4.74 -3.04 0.08 0.31 -1.26 -4.48 118.33 110.86 2oii n VAL 922 Ca -0.24 -5.65 -0.40 0.00 -0.01 0.00 0.00 64.34 58.05 2oii n VAL 922 Cb 0.97 -2.28 -0.05 0.00 -0.91 0.00 0.00 33.84 31.57 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 -0.64 7.16 -0.25 4.52 -1.08 -1.26 -3.40 116.67 121.73 2oii s ASP 923 Ca 0.31 1.38 -0.02 0.00 -0.52 0.00 0.00 52.55 53.70 2oii s ASP 923 Cb -0.01 -2.44 0.12 0.00 -1.46 0.00 0.00 42.92 39.13 2oii s ASP 923 CO 0.02 0.05 0.28 -0.55 0.52 0.00 0.00 175.17 175.49 2oii s SER 924 N -0.14 1.32 -0.95 -0.34 0.15 -0.33 -5.01 113.70 108.38 2oii s SER 924 Ca 0.36 -0.38 -0.08 0.00 0.70 0.00 0.00 55.95 56.55 2oii s SER 924 Cb -0.20 0.56 0.24 0.00 -1.71 0.00 0.00 66.02 64.91 2oii s SER 924 CO 0.22 -0.35 0.90 -0.83 1.20 0.00 0.00 173.24 174.37 2oii s GLY 925 N 2.38 3.00 0.00 9.45 0.00 -1.26 0.14 107.32 121.03 2oii s GLY 925 Ca 0.09 -3.67 0.09 0.00 0.00 0.00 0.00 44.72 41.23 2oii s GLY 925 CO -0.22 1.26 1.24 0.61 0.00 0.00 0.00 173.10 175.99 2oii n GLY 926 N 2.99 0.18 0.00 0.20 0.00 -0.99 -4.96 105.19 102.61 2oii n GLY 926 Ca 0.20 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.23 0.00 -4.64 2.61 -1.04 -1.26 -2.20 114.28 107.99 2oii n THR 946 Ca 0.10 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.77 2oii n THR 946 Cb 0.22 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.60 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 2.92 0.23 -4.42 1.43 -1.26 -4.98 118.68 112.60 2oii s LEU 947 Ca 0.00 -0.25 -0.13 0.00 -1.03 0.00 0.00 54.13 52.72 2oii s LEU 947 Cb 0.00 -1.68 -0.00 0.00 0.03 0.00 0.00 46.19 44.54 2oii s LEU 947 CO 0.00 0.17 0.46 -0.83 0.23 0.00 0.00 176.35 176.38 2oii s GLY 948 N 0.35 0.45 -0.11 -3.19 0.00 -1.26 -5.03 107.32 98.53 2oii s GLY 948 Ca -0.08 -0.80 0.03 0.00 0.00 0.00 0.00 44.72 43.87 2oii s GLY 948 CO 0.05 -0.61 -0.21 -1.34 0.00 0.00 0.00 173.10 170.99 2oii s VAL 949 N -3.99 2.35 0.06 1.40 -7.23 -1.26 -3.48 120.40 108.25 2oii s VAL 949 Ca 0.20 -0.92 0.03 0.00 -1.81 0.00 0.00 61.98 59.48 2oii s VAL 949 Cb -0.00 -1.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.98 2oii s VAL 949 CO 0.06 0.55 -0.08 0.72 -0.31 0.00 0.00 175.10 176.04 2oii s PHE 950 N 0.33 0.80 0.02 2.82 -0.12 -1.24 -4.99 117.98 115.61 2oii s PHE 950 Ca -0.16 -0.59 -0.01 0.00 -0.05 0.00 0.00 56.93 56.11 2oii s PHE 950 Cb -0.17 -0.47 -0.01 0.00 -0.63 0.00 0.00 43.02 41.74 2oii s PHE 950 CO 0.08 -0.08 -0.03 0.43 -0.05 0.00 0.00 175.22 175.58 2oii n SER 951 N 1.06 0.62 0.00 1.98 7.64 -1.26 -4.37 113.62 119.29 2oii n SER 951 Ca -0.20 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.77 2oii n SER 951 Cb 0.56 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 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 -3.31 0.13 0.00 -3.43 7.94 -1.26 -4.84 117.00 112.22 2oii n LEU 952 Ca -0.03 0.74 0.00 0.00 -1.11 0.00 0.00 56.01 55.61 2oii n LEU 952 Cb 0.31 -0.29 0.00 0.00 0.53 0.00 0.00 43.42 43.97 2oii n LEU 952 CO 0.01 -0.29 0.00 2.30 -1.11 0.00 0.00 177.39 178.30 2oii n ILE 953 N -1.36 0.00 0.00 1.96 -6.64 -1.26 -4.58 119.36 107.48 2oii n ILE 953 Ca 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 2oii n ILE 953 Cb 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.20 2oii n ILE 953 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2oii n LEU 954 N 0.00 0.00 -4.55 7.28 -0.00 -1.26 -4.77 117.00 113.70 2oii n LEU 954 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.60 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 1.26 -2.16 -0.00 0.00 0.00 177.39 176.49 2oii s PRO 955 N 0.00 3.19 0.01 1.47 0.04 -1.26 -4.87 135.00 133.58 2oii s PRO 955 Ca 0.00 -0.30 0.08 0.00 0.04 0.00 0.00 61.00 60.82 2oii s PRO 955 Cb 0.00 -4.40 -0.02 0.00 0.04 0.00 0.00 34.50 30.12 2oii s PRO 955 CO 0.00 -2.23 -0.25 -0.51 0.04 0.00 0.00 177.00 174.05 2oii s LEU 956 N 6.00 2.10 0.36 -3.56 1.02 -1.26 -4.97 118.68 118.37 2oii s LEU 956 Ca 0.40 -0.50 -0.16 0.00 0.02 0.00 0.00 54.13 53.90 2oii s LEU 956 Cb -0.07 -1.23 -0.09 0.00 0.02 0.00 0.00 46.19 44.82 2oii s LEU 956 CO 0.11 0.27 0.79 -1.10 0.02 0.00 0.00 176.35 176.45 2oii s GLN 957 N -0.85 4.01 -0.10 1.70 -0.21 -1.26 -4.96 119.66 117.99 2oii s GLN 957 Ca 0.10 0.74 -0.29 0.00 0.02 0.00 0.00 55.36 55.92 2oii s GLN 957 Cb -0.09 -2.36 -0.04 0.00 1.00 0.00 0.00 33.01 31.51 2oii s GLN 957 CO 0.00 0.07 1.60 0.00 -2.12 0.00 0.00 175.29 174.85 2oii s ALA 958 N -2.10 3.55 0.00 6.09 0.00 -1.26 -2.46 121.76 125.57 2oii s ALA 958 Ca 0.55 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.30 2oii s ALA 958 Cb -0.10 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.27 2oii s ALA 958 CO 0.19 -1.49 0.00 0.41 0.00 0.00 0.00 175.76 174.87 2oii n GLY 959 N 4.19 3.26 3.36 0.00 0.00 -0.54 -4.96 105.19 110.50 2oii n GLY 959 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2oii n GLY 959 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2oii n ASP 960 N 0.04 -2.22 -3.94 1.61 -0.08 -1.03 -4.52 116.55 106.42 2oii n ASP 960 Ca 0.00 -0.22 -0.16 0.00 -1.51 0.00 0.00 54.79 52.90 2oii n ASP 960 Cb 0.00 -1.10 -0.15 0.00 2.34 0.00 0.00 41.12 42.21 2oii n ASP 960 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2oii s THR 961 N -2.30 0.41 0.01 5.18 2.01 -1.26 -3.49 115.64 116.19 2oii s THR 961 Ca 0.63 -0.18 -0.05 0.00 0.31 0.00 0.00 61.69 62.40 2oii s THR 961 Cb -0.19 -0.37 -0.05 0.00 0.01 0.00 0.00 72.50 71.90 2oii s THR 961 CO 0.65 0.13 0.25 0.68 -0.69 0.00 0.00 174.62 175.64 2oii s VAL 962 N 0.11 5.33 0.02 3.82 -7.23 -1.22 -4.04 120.40 117.19 2oii s VAL 962 Ca -0.01 0.06 0.01 0.00 -1.81 0.00 0.00 61.98 60.24 2oii s VAL 962 Cb -0.05 -3.56 -0.01 0.00 0.56 0.00 0.00 36.38 33.32 2oii s VAL 962 CO -0.00 0.33 -0.05 0.00 -0.31 0.00 0.00 175.10 175.07 2oii s VAL 964 N -0.75 5.09 -0.17 0.00 1.01 -1.26 0.76 120.40 125.08 2oii s VAL 964 Ca -0.05 0.84 -0.16 0.00 0.00 0.00 0.00 61.98 62.60 2oii s VAL 964 Cb -0.06 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2oii s VAL 964 CO -0.00 0.50 0.41 -0.62 0.00 0.00 0.00 175.10 175.39 2oii s ASP 965 N -0.54 6.52 -0.45 3.32 2.15 -0.94 -4.78 116.67 121.95 2oii s ASP 965 Ca 0.24 0.61 0.09 0.00 0.43 0.00 0.00 52.55 53.92 2oii s ASP 965 Cb -0.16 -2.24 0.34 0.00 -0.30 0.00 0.00 42.92 40.55 2oii s ASP 965 CO 0.12 -0.03 0.79 -0.11 -0.17 0.00 0.00 175.17 175.77 2oii n LEU 966 N 4.11 2.13 -3.21 -1.34 0.00 -1.26 -3.61 117.00 113.82 2oii n LEU 966 Ca -0.08 -5.23 -0.00 0.00 0.00 0.00 0.00 56.01 50.69 2oii n LEU 966 Cb 0.51 0.23 -0.02 0.00 0.00 0.00 0.00 43.42 44.15 2oii n LEU 966 CO 0.41 2.29 0.05 -0.69 0.00 0.00 0.00 177.39 179.45 2oii s VAL 967 N -3.03 -0.89 -0.38 1.96 1.01 -1.26 -5.05 120.40 112.75 2oii s VAL 967 Ca 0.43 -0.11 0.11 0.00 0.00 0.00 0.00 61.98 62.41 2oii s VAL 967 Cb 0.31 -0.71 0.35 0.00 0.00 0.00 0.00 36.38 36.33 2oii s VAL 967 CO -0.10 -0.09 0.82 0.23 0.00 0.00 0.00 175.10 175.96 2oii n MET 968 N 5.07 0.99 0.00 2.72 2.81 -1.26 -5.04 117.12 122.42 2oii n MET 968 Ca 0.06 -3.10 0.00 0.00 -1.81 0.00 0.00 57.70 52.85 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 0.26 3.47 0.06 3.03 0.00 -1.26 -4.15 105.19 106.60 2oii n GLY 969 Ca 0.20 -0.59 -0.03 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.03 -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 0.17 0.24 -0.11 -1.93 0.00 0.00 178.83 177.20 2oii n LEU 971 N -4.72 1.69 0.00 -2.39 7.94 -1.26 -4.78 117.00 113.48 2oii n LEU 971 Ca -0.04 -1.37 0.00 0.00 -1.11 0.00 0.00 56.01 53.50 2oii n LEU 971 Cb 0.13 -1.60 0.00 0.00 0.53 0.00 0.00 43.42 42.48 2oii n LEU 971 CO 0.07 -2.50 0.00 0.00 -1.11 0.00 0.00 177.39 173.85 2oii n ALA 972 N 17.88 0.00 -2.62 1.96 0.00 -1.26 -5.14 120.51 131.33 2oii n ALA 972 Ca 0.47 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.63 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 -0.07 2.47 -0.19 0.00 2.46 -1.26 -5.13 115.29 113.57 2oii s HIS 973 Ca 0.00 -0.69 -0.09 0.00 0.47 0.00 0.00 55.06 54.76 2oii s HIS 973 Cb 0.00 -1.78 -0.05 0.00 -0.13 0.00 0.00 32.58 30.62 2oii s HIS 973 CO 0.00 0.41 0.10 0.45 -2.47 0.00 0.00 174.74 173.23 2oii s SER 974 N -3.74 5.96 0.12 9.88 0.15 -1.26 -5.08 113.70 119.73 2oii s SER 974 Ca 0.33 0.17 -0.19 0.00 0.70 0.00 0.00 55.95 56.96 2oii s SER 974 Cb 0.09 -2.03 0.05 0.00 -1.71 0.00 0.00 66.02 62.42 2oii s SER 974 CO 0.17 0.19 0.48 -0.70 1.20 0.00 0.00 173.24 174.58 2oii s GLU 975 N 0.30 1.11 -0.39 5.44 -6.30 -1.26 -5.12 118.70 112.48 2oii s GLU 975 Ca 0.06 -0.54 0.02 0.00 -2.50 0.00 0.00 54.97 52.01 2oii s GLU 975 Cb -0.12 0.50 0.15 0.00 0.00 0.00 0.00 34.13 34.67 2oii s GLU 975 CO -0.01 -0.44 0.27 -1.83 0.02 0.00 0.00 175.26 173.27 2oii s GLU 976 N -3.47 0.81 0.31 4.30 4.04 -1.26 -5.13 118.70 118.29 2oii s GLU 976 Ca 0.00 -1.75 -0.05 0.00 0.04 0.00 0.00 54.97 53.21 2oii s GLU 976 Cb 0.00 -1.49 0.07 0.00 0.02 0.00 0.00 34.13 32.74 2oii s GLU 976 CO -0.10 -1.28 0.32 -0.35 -1.84 0.00 0.00 175.26 172.01 2oii n PRO 977 N 3.46 -1.13 -4.29 -4.83 -0.04 -1.26 -5.07 135.00 121.85 2oii n PRO 977 Ca 0.19 -0.50 -0.19 0.00 -0.04 0.00 0.00 63.50 62.95 2oii n PRO 977 Cb 0.41 -0.42 -0.11 0.00 -0.04 0.00 0.00 33.50 33.35 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 2.43 -0.12 1.53 1.02 -1.26 -4.93 118.68 117.34 2oii s LEU 978 Ca 0.20 -0.85 -0.13 0.00 0.02 0.00 0.00 54.13 53.36 2oii s LEU 978 Cb -0.01 -0.67 0.03 0.00 0.02 0.00 0.00 46.19 45.56 2oii s LEU 978 CO 0.15 -0.11 0.36 0.42 0.02 0.00 0.00 176.35 177.19 2oii s THR 979 N -2.19 0.01 -0.17 5.49 -4.23 -1.26 -4.88 115.64 108.40 2oii s THR 979 Ca 0.13 -0.05 -0.05 0.00 -1.18 0.00 0.00 61.69 60.54 2oii s THR 979 Cb -0.05 -0.53 -0.03 0.00 1.34 0.00 0.00 72.50 73.23 2oii s THR 979 CO 0.05 -0.03 -0.00 -0.63 -0.54 0.00 0.00 174.62 173.47 2oii s ILE 980 N 0.03 4.17 -0.36 2.99 -1.09 -1.26 -4.31 121.20 121.36 2oii s ILE 980 Ca -0.01 -0.25 0.03 0.00 -2.23 0.00 0.00 60.65 58.18 2oii s ILE 980 Cb -0.03 -2.85 0.10 0.00 -1.58 0.00 0.00 42.46 38.10 2oii s ILE 980 CO 0.01 0.47 0.08 0.12 -1.23 0.00 0.00 174.94 174.39 2oii s PHE 981 N 0.51 3.71 0.22 3.97 2.19 -1.22 -3.12 117.98 124.24 2oii s PHE 981 Ca -0.01 -2.97 0.07 0.00 0.33 0.00 0.00 56.93 54.35 2oii s PHE 981 Cb -0.14 -2.95 -0.04 0.00 -1.31 0.00 0.00 43.02 38.59 2oii s PHE 981 CO 0.02 -0.94 0.15 -1.54 1.83 0.00 0.00 175.22 174.74 2oii s SER 982 N 0.90 5.38 -0.30 6.13 1.04 -1.21 -2.78 113.70 122.85 2oii s SER 982 Ca 0.11 -0.26 -0.13 0.00 0.48 0.00 0.00 55.95 56.15 2oii s SER 982 Cb -0.20 -1.34 0.18 0.00 0.10 0.00 0.00 66.02 64.76 2oii s SER 982 CO -0.07 0.00 1.03 -0.83 0.98 0.00 0.00 173.24 174.35 2oii s GLY 983 N -3.56 -0.37 0.09 7.32 0.00 -0.68 -2.99 107.32 107.12 2oii s GLY 983 Ca 0.32 2.74 0.06 0.00 0.00 0.00 0.00 44.72 47.83 2oii s GLY 983 CO 0.24 3.78 -0.05 0.00 0.00 0.00 0.00 173.10 177.07 2oii s ALA 984 N 2.94 3.13 0.18 3.20 0.00 -1.12 -2.71 121.76 127.38 2oii s ALA 984 Ca -0.00 -1.17 -0.30 0.00 0.00 0.00 0.00 51.96 50.49 2oii s ALA 984 Cb -0.10 -1.06 -0.08 0.00 0.00 0.00 0.00 23.12 21.87 2oii s ALA 984 CO -0.11 0.67 1.28 -1.17 0.00 0.00 0.00 175.76 176.42 2oii s LEU 985 N -2.22 4.42 -0.09 0.00 2.96 -1.20 -3.35 118.68 119.20 2oii s LEU 985 Ca 0.23 2.32 -0.11 0.00 -0.22 0.00 0.00 54.13 56.36 2oii s LEU 985 Cb -0.11 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 2oii s LEU 985 CO 0.16 -0.49 -0.22 -0.11 -1.32 0.00 0.00 176.35 174.36 2oii n LEU 986 N 2.79 1.60 -3.85 -0.68 7.94 -1.24 -4.94 117.00 118.62 2oii n LEU 986 Ca 0.06 0.26 -0.12 0.00 -1.11 0.00 0.00 56.01 55.10 2oii n LEU 986 Cb 0.43 -0.59 -0.11 0.00 0.53 0.00 0.00 43.42 43.69 2oii n LEU 986 CO 0.57 -0.37 -0.18 -0.47 -1.11 0.00 0.00 177.39 175.83 2oii s TYR 987 N -2.55 -0.06 0.31 1.96 5.04 -1.10 -5.06 117.35 115.89 2oii s TYR 987 Ca -0.19 0.13 0.09 0.00 -2.44 0.00 0.00 57.07 54.66 2oii s TYR 987 Cb 0.03 0.00 -0.04 0.00 0.35 0.00 0.00 41.96 42.30 2oii s TYR 987 CO 0.28 -0.19 0.06 0.20 -1.34 0.00 0.00 175.55 174.56 2oii s GLY 988 N -0.67 1.86 -0.36 8.97 0.00 -1.26 -1.95 107.32 113.91 2oii s GLY 988 Ca -0.08 -1.79 -0.29 0.00 0.00 0.00 0.00 44.72 42.57 2oii s GLY 988 CO 0.01 -1.77 1.36 0.99 0.00 0.00 0.00 173.10 173.69 2oii s ASP 989 N -3.76 6.50 -1.26 1.64 1.01 -0.89 -4.86 116.67 115.05 2oii s ASP 989 Ca 0.35 1.02 -0.10 0.00 0.71 0.00 0.00 52.55 54.53 2oii s ASP 989 Cb -0.03 -2.54 0.18 0.00 1.01 0.00 0.00 42.92 41.53 2oii s ASP 989 CO 0.21 -1.26 1.80 -0.81 0.21 0.00 0.00 175.17 175.32 2oii n PRO 990 N 7.71 3.64 0.00 8.23 -0.04 -1.26 -4.83 135.00 148.46 2oii n PRO 990 Ca 0.16 -3.62 0.00 0.00 -0.04 0.00 0.00 63.50 59.99 2oii n PRO 990 Cb 0.47 -2.91 0.00 0.00 -0.04 0.00 0.00 33.50 31.02 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 3.91 0.00 -1.40 0.54 1.02 -1.26 -4.72 120.64 118.73 2oii n GLU 991 Ca 0.39 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.41 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 -0.85 -4.93 -4.62 4.77 -1.26 -4.93 117.00 105.18 2oii n LEU 992 Ca 0.00 0.28 -0.26 0.00 -0.03 0.00 0.00 56.01 56.00 2oii n LEU 992 Cb 0.00 -1.82 -0.02 0.00 -2.33 0.00 0.00 43.42 39.25 2oii n LEU 992 CO 0.00 -0.57 0.15 -1.61 -1.33 0.00 0.00 177.39 174.03 2oii s GLU 993 N -3.10 3.54 -0.34 3.23 2.02 -1.26 -5.08 118.70 117.71 2oii s GLU 993 Ca 0.00 -0.22 0.01 0.00 0.02 0.00 0.00 54.97 54.79 2oii s GLU 993 Cb 0.00 -2.70 0.15 0.00 0.10 0.00 0.00 34.13 31.68 2oii s GLU 993 CO 0.00 0.23 0.32 -1.01 0.02 0.00 0.00 175.26 174.82 2oii s HIS 994 N -2.13 -0.16 -1.22 1.61 3.76 -1.26 -5.25 115.29 110.63 2oii s HIS 994 Ca 0.41 -0.76 0.00 0.00 -0.15 0.00 0.00 55.06 54.55 2oii s HIS 994 Cb -0.10 -0.52 0.00 0.00 1.11 0.00 0.00 32.58 33.07 2oii s HIS 994 CO 0.32 -0.93 0.31 0.00 -0.85 0.00 0.00 174.74 173.59