#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 0.85 0.14 0.52 1.01 -1.26 -4.98 120.40 116.68 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 -1.52 0.39 0.00 0.00 0.00 0.00 36.38 35.26 2oii s VAL 847 CO 0.00 -0.50 2.01 1.55 0.00 0.00 0.00 175.10 178.16 2oii h PRO 848 N 8.12 0.00 -5.92 2.72 0.13 -2.02 -3.47 132.00 131.55 2oii h PRO 848 Ca -0.15 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.80 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 -0.39 0.94 -0.23 0.00 0.00 178.00 178.76 2oii n GLN 849 N -3.10 -0.58 -5.12 0.86 7.27 -1.26 -4.92 117.38 110.53 2oii n GLN 849 Ca 0.00 0.15 -0.32 0.00 0.07 0.00 0.00 57.00 56.91 2oii n GLN 849 Cb 0.29 -0.68 -0.15 0.00 2.41 0.00 0.00 30.24 32.11 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 -2.73 2.44 0.17 1.69 1.01 -1.26 -5.11 120.40 116.61 2oii s VAL 850 Ca 0.03 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.16 2oii s VAL 850 Cb -0.02 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2oii s VAL 850 CO 0.32 0.57 -0.17 0.00 0.00 0.00 0.00 175.10 175.83 2oii s ALA 851 N -0.33 1.97 -0.28 5.51 0.00 -1.26 -3.18 121.76 124.19 2oii s ALA 851 Ca 0.02 -1.53 -0.15 0.00 0.00 0.00 0.00 51.96 50.30 2oii s ALA 851 Cb -0.13 -0.15 0.09 0.00 0.00 0.00 0.00 23.12 22.94 2oii s ALA 851 CO 0.02 0.17 0.69 -0.59 0.00 0.00 0.00 175.76 176.06 2oii s PHE 852 N -2.34 -1.09 -0.29 0.00 -0.12 -0.91 -3.81 117.98 109.42 2oii s PHE 852 Ca 0.17 2.13 -0.20 0.00 -0.05 0.00 0.00 56.93 58.98 2oii s PHE 852 Cb -0.04 0.65 0.18 0.00 -0.63 0.00 0.00 43.02 43.18 2oii s PHE 852 CO 0.06 -0.54 1.22 0.45 -0.05 0.00 0.00 175.22 176.37 2oii s SER 853 N 1.80 -0.21 0.11 1.98 0.15 -0.84 -1.35 113.70 115.33 2oii s SER 853 Ca -0.09 0.37 0.04 0.00 0.70 0.00 0.00 55.95 56.97 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 -0.06 -0.10 0.00 1.20 0.00 0.00 173.24 174.08 2oii s ALA 854 N 0.63 1.18 0.04 5.45 0.00 -1.06 -3.34 121.76 124.66 2oii s ALA 854 Ca -0.01 -1.26 0.08 0.00 0.00 0.00 0.00 51.96 50.77 2oii s ALA 854 Cb -0.04 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 2oii s ALA 854 CO -0.12 -0.06 -0.23 0.00 0.00 0.00 0.00 175.76 175.35 2oii s ALA 855 N -2.68 1.96 -0.11 0.00 0.00 -0.98 -3.36 121.76 116.59 2oii s ALA 855 Ca 0.08 -1.14 -0.00 0.00 0.00 0.00 0.00 51.96 50.90 2oii s ALA 855 Cb -0.01 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 2oii s ALA 855 CO -0.00 0.45 -0.10 -1.17 0.00 0.00 0.00 175.76 174.94 2oii s LEU 856 N -1.20 2.95 0.00 0.00 1.98 -1.26 -2.64 118.68 118.52 2oii s LEU 856 Ca 0.09 -0.18 0.00 0.00 -2.89 0.00 0.00 54.13 51.15 2oii s LEU 856 Cb -0.09 -1.66 0.00 0.00 0.66 0.00 0.00 46.19 45.10 2oii s LEU 856 CO 0.02 0.25 0.57 -1.54 -1.89 0.00 0.00 176.35 173.76 2oii n SER 857 N 2.97 0.00 -2.62 3.68 3.41 -1.26 -4.88 113.62 114.93 2oii n SER 857 Ca -0.18 -1.31 -0.24 0.00 -0.26 0.00 0.00 58.87 56.88 2oii n SER 857 Cb 0.53 -0.06 0.02 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 -3.65 0.00 1.04 -0.00 -1.26 -4.96 117.00 108.17 2oii n LEU 858 Ca 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 56.01 56.18 2oii n LEU 858 Cb 0.56 -0.50 0.00 0.00 -0.00 0.00 0.00 43.42 43.48 2oii n LEU 858 CO 0.00 -3.78 0.03 -0.81 -0.00 0.00 0.00 177.39 172.83 2oii n PRO 859 N 1.51 0.00 0.00 1.47 -0.04 -1.26 -5.05 135.00 131.63 2oii n PRO 859 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2oii n PRO 859 Cb 0.35 -0.47 0.00 0.00 -0.04 0.00 0.00 33.50 33.35 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 -0.08 1.88 -1.55 0.54 1.85 -1.26 -5.08 116.66 112.97 2oii n ARG 860 Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 57.85 56.25 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 0.29 -4.89 2.89 7.64 -1.26 -4.96 113.62 113.33 2oii n SER 861 Ca 0.00 1.16 -0.24 0.00 1.01 0.00 0.00 58.87 60.80 2oii n SER 861 Cb 0.00 -0.93 -0.04 0.00 -1.01 0.00 0.00 64.21 62.24 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 0.58 3.19 0.15 1.43 2.12 -1.26 -4.99 118.70 119.92 2oii s GLU 862 Ca 0.93 -0.79 0.20 0.00 0.36 0.00 0.00 54.97 55.67 2oii s GLU 862 Cb -1.30 -2.79 0.83 0.00 0.26 0.00 0.00 34.13 31.14 2oii s GLU 862 CO 0.61 0.47 1.61 -0.35 -0.54 0.00 0.00 175.26 177.06 2oii n PRO 863 N -0.76 0.11 0.00 4.30 -0.04 -1.26 -4.92 135.00 132.44 2oii n PRO 863 Ca -0.08 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 2oii n PRO 863 Cb 0.55 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 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 0.01 1.29 3.74 0.55 0.00 -1.26 -5.15 105.19 104.37 2oii n GLY 864 Ca 0.03 0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 1.15 2.84 -0.07 2.61 2.01 -1.26 -4.99 115.64 117.93 2oii s THR 865 Ca 0.00 0.34 -0.16 0.00 0.31 0.00 0.00 61.69 62.18 2oii s THR 865 Cb 0.00 -2.79 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 2oii s THR 865 CO 0.00 -0.29 0.42 -0.69 -0.69 0.00 0.00 174.62 173.37 2oii s VAL 866 N -2.45 5.13 0.00 3.82 1.01 -1.26 -5.06 120.40 121.60 2oii s VAL 866 Ca 0.67 0.84 0.00 0.00 0.00 0.00 0.00 61.98 63.49 2oii s VAL 866 Cb -0.22 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.42 2oii s VAL 866 CO 0.49 0.45 0.00 -0.81 0.00 0.00 0.00 175.10 175.23 2oii n PRO 867 N 2.80 3.11 -3.67 2.72 -0.04 -1.26 -4.73 135.00 133.93 2oii n PRO 867 Ca -0.11 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.24 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 1.41 -0.60 -0.84 0.54 -0.71 -1.26 -4.85 117.98 111.67 2oii s PHE 868 Ca 0.00 1.24 0.08 0.00 -1.04 0.00 0.00 56.93 57.21 2oii s PHE 868 Cb 0.00 0.16 0.03 0.00 -1.21 0.00 0.00 43.02 42.00 2oii s PHE 868 CO 0.00 -0.40 0.65 -0.40 -1.34 0.00 0.00 175.22 173.73 2oii n ASP 869 N 5.13 1.35 -4.44 1.98 5.75 -1.25 -4.88 116.55 120.19 2oii n ASP 869 Ca -0.11 -1.18 -0.44 0.00 -0.01 0.00 0.00 54.79 53.05 2oii n ASP 869 Cb 0.51 0.23 -0.02 0.00 -1.03 0.00 0.00 41.12 40.81 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 -0.89 3.66 -0.75 0.11 1.81 -1.08 -4.98 118.95 116.83 2oii s ARG 870 Ca 0.08 -1.92 -0.26 0.00 -1.72 0.00 0.00 55.73 51.90 2oii s ARG 870 Cb 0.06 -4.88 0.00 0.00 -0.45 0.00 0.00 34.95 29.68 2oii s ARG 870 CO 0.14 -1.72 1.62 0.08 -0.68 0.00 0.00 175.30 174.75 2oii s VAL 871 N 2.30 3.56 -0.12 3.52 1.01 -1.26 -2.33 120.40 127.08 2oii s VAL 871 Ca 0.32 0.07 -0.23 0.00 0.00 0.00 0.00 61.98 62.14 2oii s VAL 871 Cb -0.05 -4.42 -0.26 0.00 0.00 0.00 0.00 36.38 31.64 2oii s VAL 871 CO -0.08 -1.37 0.66 -0.07 0.00 0.00 0.00 175.10 174.24 2oii h LEU 872 N 15.03 0.20 -6.00 3.92 3.38 -1.93 -3.47 115.31 126.44 2oii h LEU 872 Ca -0.16 -0.87 0.23 0.00 0.09 0.00 0.00 57.88 57.17 2oii h LEU 872 Cb 1.08 -0.07 -0.20 0.00 0.09 0.00 0.00 40.66 41.57 2oii h LEU 872 CO 1.26 1.32 0.05 -0.22 0.09 0.00 0.00 178.44 180.95 2oii s LEU 873 N -7.93 -0.41 0.00 1.67 2.96 -1.22 -5.02 118.68 108.73 2oii s LEU 873 Ca -0.19 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 2oii s LEU 873 Cb 0.01 1.29 0.00 0.00 0.50 0.00 0.00 46.19 47.99 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 5.26 0.00 -0.05 3.68 2.85 -1.25 -2.00 115.26 123.75 2oii n ASN 874 Ca 0.03 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.38 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 0.29 1.05 1.20 2.03 -2.00 -3.15 116.42 115.83 2oii h ASP 875 Ca 0.00 -0.34 -0.07 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 38.41 2oii h ASP 875 CO 0.00 0.57 -0.35 1.23 -1.03 0.00 0.00 179.24 179.66 2oii h GLY 876 N 0.01 0.00 0.00 7.15 0.00 -1.97 -3.47 103.07 104.79 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 0.46 1.76 5.00 4.60 0.00 -1.19 -4.86 105.19 110.95 2oii n GLY 877 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -4.68 117.16 113.06 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 3.34 -0.11 -0.72 1.13 -1.26 -3.48 117.35 116.25 2oii s TYR 879 Ca 0.00 -1.79 -0.29 0.00 -1.41 0.00 0.00 57.07 53.58 2oii s TYR 879 Cb 0.00 -2.52 -0.05 0.00 -1.10 0.00 0.00 41.96 38.29 2oii s TYR 879 CO 0.00 -0.82 1.75 0.34 -2.51 0.00 0.00 175.55 174.31 2oii s ASP 880 N 1.54 6.42 0.00 -0.18 -1.08 -1.20 -4.86 116.67 117.31 2oii s ASP 880 Ca -0.00 2.08 0.25 0.00 -0.52 0.00 0.00 52.55 54.36 2oii s ASP 880 Cb -0.21 -2.53 1.51 0.00 -1.46 0.00 0.00 42.92 40.23 2oii s ASP 880 CO 0.00 -1.16 1.87 -0.81 0.52 0.00 0.00 175.17 175.59 2oii n PRO 881 N 7.53 0.80 0.01 4.34 -0.04 -1.26 0.13 135.00 146.51 2oii n PRO 881 Ca 0.19 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.64 2oii n PRO 881 Cb 0.43 -1.50 -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 -0.09 0.00 0.54 5.08 -1.89 -3.37 114.58 114.85 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 -0.06 -1.27 0.25 -1.00 0.00 0.00 179.01 176.93 2oii n THR 883 N -3.77 0.42 -0.83 1.13 -2.24 -1.24 -4.97 114.28 102.78 2oii n THR 883 Ca -0.01 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 2oii n THR 883 Cb 0.04 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 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 1.22 0.50 3.56 3.38 0.00 0.36 -4.58 105.19 109.62 2oii n GLY 884 Ca -0.01 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 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 3.62 -0.53 1.61 1.01 -1.12 -4.36 120.40 118.64 2oii s VAL 885 Ca 0.00 -0.38 -0.22 0.00 0.00 0.00 0.00 61.98 61.39 2oii s VAL 885 Cb 0.00 -4.44 0.05 0.00 0.00 0.00 0.00 36.38 31.99 2oii s VAL 885 CO 0.00 -1.36 0.78 0.12 0.00 0.00 0.00 175.10 174.64 2oii s PHE 886 N 7.83 2.92 -0.56 5.22 2.19 -1.24 -3.22 117.98 131.13 2oii s PHE 886 Ca 0.58 -0.27 -0.18 0.00 0.33 0.00 0.00 56.93 57.40 2oii s PHE 886 Cb -0.05 -3.80 0.10 0.00 -1.31 0.00 0.00 43.02 37.97 2oii s PHE 886 CO -0.00 -1.19 0.62 0.99 1.83 0.00 0.00 175.22 177.47 2oii s THR 887 N 3.28 4.96 -0.46 0.12 2.01 -1.23 -3.49 115.64 120.83 2oii s THR 887 Ca 0.23 -1.08 -0.16 0.00 0.31 0.00 0.00 61.69 60.99 2oii s THR 887 Cb -0.16 -4.41 0.05 0.00 0.01 0.00 0.00 72.50 68.00 2oii s THR 887 CO 0.16 -0.99 0.42 0.00 -0.69 0.00 0.00 174.62 173.52 2oii s ALA 888 N 2.32 3.50 -0.78 7.40 0.00 -1.23 -4.77 121.76 128.20 2oii s ALA 888 Ca 0.09 -1.91 0.25 0.00 0.00 0.00 0.00 51.96 50.39 2oii s ALA 888 Cb -0.25 -3.09 0.41 0.00 0.00 0.00 0.00 23.12 20.19 2oii s ALA 888 CO 0.06 -1.71 1.36 -0.35 0.00 0.00 0.00 175.76 175.11 2oii n PRO 889 N 5.41 0.18 -0.26 0.00 -0.04 -1.26 -0.48 135.00 138.55 2oii n PRO 889 Ca -0.11 0.05 0.03 0.00 -0.04 0.00 0.00 63.50 63.43 2oii n PRO 889 Cb 0.45 -1.61 0.08 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 -1.86 -0.31 -2.86 1.53 4.77 -1.26 -4.86 117.00 112.14 2oii n LEU 890 Ca 0.04 1.23 -0.02 0.00 -0.03 0.00 0.00 56.01 57.23 2oii n LEU 890 Cb 0.40 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 2oii n LEU 890 CO 0.36 -1.16 -0.45 0.00 -1.33 0.00 0.00 177.39 174.81 2oii n ALA 891 N -3.71 -2.73 0.00 -1.18 0.00 -1.26 -4.68 120.51 106.95 2oii n ALA 891 Ca 0.10 0.86 0.00 0.00 0.00 0.00 0.00 53.44 54.40 2oii n ALA 891 Cb 0.34 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 1.50 -0.26 3.47 0.00 0.00 -1.26 -2.31 105.19 106.33 2oii n GLY 892 Ca -0.12 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 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 3.63 0.03 1.61 3.52 -0.62 -4.91 118.95 120.22 2oii s ARG 893 Ca 0.00 -0.53 0.05 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 30.41 2oii s ARG 893 CO 0.00 0.15 -0.14 -0.47 -0.81 0.00 0.00 175.30 174.03 2oii s TYR 894 N 0.62 1.19 -0.36 5.12 5.04 -1.26 -2.49 117.35 125.21 2oii s TYR 894 Ca -0.02 -0.32 -0.15 0.00 -2.44 0.00 0.00 57.07 54.13 2oii s TYR 894 Cb -0.14 -0.72 -0.01 0.00 0.35 0.00 0.00 41.96 41.44 2oii s TYR 894 CO 0.02 0.02 0.37 -1.17 -1.34 0.00 0.00 175.55 173.45 2oii s LEU 895 N -0.96 4.54 0.03 6.97 2.96 -1.19 -4.72 118.68 126.31 2oii s LEU 895 Ca 0.02 -0.33 0.04 0.00 -0.22 0.00 0.00 54.13 53.64 2oii s LEU 895 Cb -0.07 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 2oii s LEU 895 CO 0.01 -0.38 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.37 2oii s LEU 896 N 2.02 3.16 -0.12 -0.68 0.20 -1.26 -2.69 118.68 119.30 2oii s LEU 896 Ca 0.11 -0.21 -0.04 0.00 0.69 0.00 0.00 54.13 54.69 2oii s LEU 896 Cb -0.17 -1.85 0.06 0.00 -0.43 0.00 0.00 46.19 43.80 2oii s LEU 896 CO 0.12 0.25 0.18 -0.44 -0.29 0.00 0.00 176.35 176.17 2oii s SER 897 N -1.67 0.99 0.03 3.68 0.01 -1.16 -4.92 113.70 110.66 2oii s SER 897 Ca 0.19 0.15 0.02 0.00 1.31 0.00 0.00 55.95 57.61 2oii s SER 897 Cb -0.11 0.30 -0.04 0.00 0.21 0.00 0.00 66.02 66.38 2oii s SER 897 CO 0.10 -0.27 0.04 0.00 0.41 0.00 0.00 173.24 173.51 2oii s ALA 898 N 2.30 3.42 -0.29 1.44 0.00 -1.26 -3.38 121.76 124.00 2oii s ALA 898 Ca 0.04 -0.97 -0.14 0.00 0.00 0.00 0.00 51.96 50.90 2oii s ALA 898 Cb -0.13 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 2oii s ALA 898 CO -0.08 0.69 0.31 0.08 0.00 0.00 0.00 175.76 176.76 2oii s VAL 899 N -1.21 5.22 -0.39 0.00 1.01 -1.16 -5.05 120.40 118.82 2oii s VAL 899 Ca 0.23 0.34 -0.18 0.00 0.00 0.00 0.00 61.98 62.37 2oii s VAL 899 Cb -0.12 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.61 2oii s VAL 899 CO 0.15 0.15 0.48 -0.76 0.00 0.00 0.00 175.10 175.11 2oii s LEU 900 N 1.95 4.60 0.37 3.92 2.01 -1.26 -4.65 118.68 125.61 2oii s LEU 900 Ca 0.12 -0.38 -0.27 0.00 0.01 0.00 0.00 54.13 53.61 2oii s LEU 900 Cb -0.16 -2.49 -0.10 0.00 0.01 0.00 0.00 46.19 43.45 2oii s LEU 900 CO 0.11 -0.55 1.36 -0.89 1.01 0.00 0.00 176.35 177.39 2oii s THR 901 N 2.30 2.48 0.01 5.49 2.01 -1.26 -4.95 115.64 121.72 2oii s THR 901 Ca 0.16 0.46 -0.12 0.00 0.31 0.00 0.00 61.69 62.50 2oii s THR 901 Cb -0.16 -3.29 -0.07 0.00 0.01 0.00 0.00 72.50 69.00 2oii s THR 901 CO 0.14 0.10 1.02 1.23 -0.69 0.00 0.00 174.62 176.41 2oii h GLY 902 N 3.00 -0.45 -6.38 4.40 0.00 -1.99 -3.47 103.07 98.18 2oii h GLY 902 Ca -0.50 0.17 -0.40 0.00 0.00 0.00 0.00 47.33 46.60 2oii h GLY 902 CO 0.64 -0.16 -0.84 1.42 0.00 0.00 0.00 176.54 177.60 2oii n HIS 903 N -3.32 -2.09 0.59 5.60 -0.00 -1.26 -4.81 115.22 109.92 2oii n HIS 903 Ca -0.05 0.69 0.06 0.00 -0.00 0.00 0.00 57.72 58.42 2oii n HIS 903 Cb 0.17 -3.19 0.32 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 -3.21 0.16 0.00 -0.41 1.85 -1.26 -3.64 116.66 110.15 2oii n ARG 904 Ca -0.17 0.18 0.00 0.00 -1.00 0.00 0.00 57.85 56.86 2oii n ARG 904 Cb 0.61 -1.50 0.02 0.00 -1.05 0.00 0.00 32.46 30.55 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 -1.32 2.89 -0.00 -1.26 -4.95 115.22 109.26 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 -0.83 0.00 0.00 1.57 0.28 -0.33 -5.11 120.64 116.22 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 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 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 19.93 -4.65 118.16 137.63 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 -2.83 1.89 -0.18 3.15 1.01 -1.26 -2.77 120.40 119.42 2oii s VAL 908 Ca 0.00 -1.10 -0.09 0.00 0.00 0.00 0.00 61.98 60.80 2oii s VAL 908 Cb 0.00 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 2oii s VAL 908 CO 0.00 0.27 0.12 -0.70 0.00 0.00 0.00 175.10 174.79 2oii s GLU 909 N 1.30 3.95 -0.26 2.72 2.56 0.17 -4.47 118.70 124.67 2oii s GLU 909 Ca -0.00 -0.22 -0.09 0.00 0.00 0.00 0.00 54.97 54.65 2oii s GLU 909 Cb -0.16 -3.32 0.11 0.00 2.00 0.00 0.00 34.13 32.76 2oii s GLU 909 CO -0.09 0.42 0.56 0.00 -0.56 0.00 0.00 175.26 175.59 2oii s ALA 910 N -0.00 -1.68 0.01 6.30 0.00 -1.24 -1.15 121.76 124.00 2oii s ALA 910 Ca 0.09 2.01 -0.27 0.00 0.00 0.00 0.00 51.96 53.80 2oii s ALA 910 Cb -0.11 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 2oii s ALA 910 CO -0.00 -0.83 0.84 0.08 0.00 0.00 0.00 175.76 175.85 2oii s VAL 911 N 2.71 4.83 0.73 0.00 1.01 -1.23 -2.23 120.40 126.22 2oii s VAL 911 Ca -0.05 1.77 -0.14 0.00 0.00 0.00 0.00 61.98 63.56 2oii s VAL 911 Cb -0.12 -4.18 0.04 0.00 0.00 0.00 0.00 36.38 32.12 2oii s VAL 911 CO -0.17 0.27 1.17 -0.76 0.00 0.00 0.00 175.10 175.61 2oii s LEU 912 N 0.50 3.28 -0.03 3.92 1.43 0.29 -4.42 118.68 123.63 2oii s LEU 912 Ca 0.43 2.22 0.06 0.00 -1.03 0.00 0.00 54.13 55.81 2oii s LEU 912 Cb -0.20 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.43 2oii s LEU 912 CO 0.24 -2.16 -0.22 -0.55 0.23 0.00 0.00 176.35 173.90 2oii s SER 913 N -2.31 2.61 0.70 2.29 0.15 -0.80 -3.47 113.70 112.86 2oii s SER 913 Ca 0.71 -0.42 -0.15 0.00 0.70 0.00 0.00 55.95 56.79 2oii s SER 913 Cb -0.26 -0.51 0.02 0.00 -1.71 0.00 0.00 66.02 63.57 2oii s SER 913 CO 0.46 0.24 1.19 0.00 1.20 0.00 0.00 173.24 176.32 2oii s ARG 914 N -0.29 2.37 0.00 5.44 3.03 -1.26 -1.18 118.95 127.06 2oii s ARG 914 Ca 0.02 1.70 0.00 0.00 2.03 0.00 0.00 55.73 59.49 2oii s ARG 914 Cb -0.11 -1.87 0.00 0.00 -1.03 0.00 0.00 34.95 31.95 2oii s ARG 914 CO 0.01 -1.65 0.00 0.45 -1.13 0.00 0.00 175.30 172.98 2oii n SER 915 N -2.52 0.00 0.00 -2.89 2.88 -1.26 -4.56 113.62 105.28 2oii n SER 915 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 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 1.05 4.59 -0.98 -3.46 3.02 -1.21 -5.14 115.26 113.12 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 0.89 -0.05 0.00 -0.61 0.00 0.00 39.78 40.01 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 -1.41 -2.20 0.00 3.52 6.02 -0.33 -4.73 117.38 118.26 2oii n GLN 917 Ca 0.00 1.71 0.00 0.00 -0.01 0.00 0.00 57.00 58.70 2oii n GLN 917 Cb 0.03 -2.60 0.00 0.00 1.02 0.00 0.00 30.24 28.69 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 -3.68 3.52 2.86 1.08 0.00 -1.26 -4.45 105.19 103.26 2oii n GLY 918 Ca -0.04 0.07 -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 -8.01 -2.99 1.61 0.31 -1.26 -1.91 118.33 106.08 2oii n VAL 919 Ca 0.00 1.48 -0.44 0.00 -0.01 0.00 0.00 64.34 65.37 2oii n VAL 919 Cb 0.00 -5.12 -0.03 0.00 -0.91 0.00 0.00 33.84 27.79 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 3.44 -0.06 3.52 0.00 -1.24 -3.94 121.76 122.59 2oii s ALA 920 Ca -0.09 -2.70 -0.15 0.00 0.00 0.00 0.00 51.96 49.03 2oii s ALA 920 Cb 0.01 -3.92 -0.30 0.00 0.00 0.00 0.00 23.12 18.91 2oii s ALA 920 CO 0.47 -2.82 0.70 0.07 0.00 0.00 0.00 175.76 174.18 2oii h ARG 921 N 8.81 0.35 -2.76 0.00 0.11 -1.77 -3.28 114.38 115.83 2oii h ARG 921 Ca 0.06 -0.59 -0.78 0.00 0.10 0.00 0.00 59.98 58.78 2oii h ARG 921 Cb 1.04 0.22 -0.30 0.00 1.11 0.00 0.00 29.97 32.03 2oii h ARG 921 CO 1.07 1.28 0.58 0.28 0.10 0.00 0.00 179.97 183.29 2oii n VAL 922 N -3.81 4.94 -3.33 0.08 0.31 -1.26 -4.36 118.33 110.89 2oii n VAL 922 Ca -0.22 -5.84 -0.38 0.00 -0.01 0.00 0.00 64.34 57.88 2oii n VAL 922 Cb 0.98 -2.03 -0.06 0.00 -0.91 0.00 0.00 33.84 31.81 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 -1.91 6.87 -0.26 4.52 2.15 -1.25 -3.47 116.67 123.31 2oii s ASP 923 Ca 0.33 1.03 -0.02 0.00 0.43 0.00 0.00 52.55 54.32 2oii s ASP 923 Cb 0.08 -2.31 0.13 0.00 -0.30 0.00 0.00 42.92 40.51 2oii s ASP 923 CO 0.07 0.17 0.30 -0.55 -0.17 0.00 0.00 175.17 174.99 2oii s SER 924 N -0.39 1.29 -0.65 -0.34 0.15 -0.30 -5.02 113.70 108.44 2oii s SER 924 Ca 0.27 -0.43 -0.04 0.00 0.70 0.00 0.00 55.95 56.45 2oii s SER 924 Cb -0.17 0.61 0.17 0.00 -1.71 0.00 0.00 66.02 64.92 2oii s SER 924 CO 0.15 -0.36 0.48 -0.83 1.20 0.00 0.00 173.24 173.88 2oii s GLY 925 N 2.39 2.53 -0.09 9.45 0.00 -1.26 -0.66 107.32 119.68 2oii s GLY 925 Ca 0.09 -3.28 0.02 0.00 0.00 0.00 0.00 44.72 41.56 2oii s GLY 925 CO -0.25 1.12 1.05 0.61 0.00 0.00 0.00 173.10 175.64 2oii n GLY 926 N 3.52 2.30 0.00 0.20 0.00 -1.12 -5.03 105.19 105.08 2oii n GLY 926 Ca 0.09 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.11 0.00 -4.71 2.61 -1.04 -1.26 -3.66 114.28 106.33 2oii n THR 946 Ca 0.12 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.80 2oii n THR 946 Cb 0.67 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 69.04 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 2.77 0.23 -4.42 1.43 -1.26 -5.01 118.68 112.43 2oii s LEU 947 Ca 0.00 -0.31 -0.13 0.00 -1.03 0.00 0.00 54.13 52.66 2oii s LEU 947 Cb 0.00 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.59 2oii s LEU 947 CO 0.00 0.16 0.47 -0.83 0.23 0.00 0.00 176.35 176.38 2oii s GLY 948 N 0.38 0.40 -0.10 -3.19 0.00 -1.26 -5.05 107.32 98.49 2oii s GLY 948 Ca -0.10 -0.75 0.03 0.00 0.00 0.00 0.00 44.72 43.91 2oii s GLY 948 CO 0.05 -0.57 -0.22 -1.34 0.00 0.00 0.00 173.10 171.02 2oii s VAL 949 N -3.98 2.26 0.05 1.40 -7.23 -1.26 -3.67 120.40 107.96 2oii s VAL 949 Ca 0.19 -0.95 0.04 0.00 -1.81 0.00 0.00 61.98 59.45 2oii s VAL 949 Cb -0.00 -1.88 -0.03 0.00 0.56 0.00 0.00 36.38 35.03 2oii s VAL 949 CO 0.06 0.55 -0.11 0.72 -0.31 0.00 0.00 175.10 176.01 2oii s PHE 950 N 0.31 0.92 0.03 2.82 -0.12 -1.24 -4.98 117.98 115.73 2oii s PHE 950 Ca -0.16 -0.46 -0.00 0.00 -0.05 0.00 0.00 56.93 56.25 2oii s PHE 950 Cb -0.17 -0.54 -0.00 0.00 -0.63 0.00 0.00 43.02 41.68 2oii s PHE 950 CO 0.08 -0.02 -0.01 0.43 -0.05 0.00 0.00 175.22 175.65 2oii n SER 951 N 1.48 0.48 0.00 1.98 7.64 -1.26 -4.26 113.62 119.68 2oii n SER 951 Ca -0.21 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.73 2oii n SER 951 Cb 0.55 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 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 -3.23 0.00 0.00 -3.43 7.94 -1.26 -4.82 117.00 112.20 2oii n LEU 952 Ca -0.01 0.71 0.00 0.00 -1.11 0.00 0.00 56.01 55.60 2oii n LEU 952 Cb 0.32 -0.21 0.00 0.00 0.53 0.00 0.00 43.42 44.06 2oii n LEU 952 CO 0.00 -0.21 0.00 2.30 -1.11 0.00 0.00 177.39 178.37 2oii n ILE 953 N -1.13 0.00 0.00 1.96 -5.35 -1.26 -4.51 119.36 109.07 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 -4.69 117.00 113.78 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 1.42 -2.16 -0.00 0.00 0.00 177.39 176.65 2oii s PRO 955 N 0.00 2.88 0.04 1.47 0.04 -1.26 -4.88 135.00 133.29 2oii s PRO 955 Ca 0.00 0.09 0.08 0.00 0.04 0.00 0.00 61.00 61.21 2oii s PRO 955 Cb 0.00 -4.47 -0.03 0.00 0.04 0.00 0.00 34.50 30.05 2oii s PRO 955 CO 0.00 -2.57 -0.23 -0.51 0.04 0.00 0.00 177.00 173.73 2oii s LEU 956 N 7.75 2.15 0.38 -3.56 1.02 -1.26 -4.99 118.68 120.17 2oii s LEU 956 Ca 0.55 -0.54 -0.17 0.00 0.02 0.00 0.00 54.13 54.00 2oii s LEU 956 Cb -0.09 -1.12 -0.09 0.00 0.02 0.00 0.00 46.19 44.90 2oii s LEU 956 CO 0.14 0.21 0.82 -1.10 0.02 0.00 0.00 176.35 176.45 2oii s GLN 957 N -1.13 4.05 -0.09 1.70 -0.21 -1.26 -4.98 119.66 117.74 2oii s GLN 957 Ca 0.09 0.81 -0.30 0.00 0.02 0.00 0.00 55.36 55.99 2oii s GLN 957 Cb -0.09 -2.33 -0.04 0.00 1.00 0.00 0.00 33.01 31.55 2oii s GLN 957 CO 0.02 0.05 1.53 0.00 -2.12 0.00 0.00 175.29 174.77 2oii s ALA 958 N -2.12 3.63 0.00 6.09 0.00 -1.26 -2.56 121.76 125.54 2oii s ALA 958 Ca 0.57 0.79 0.00 0.00 0.00 0.00 0.00 51.96 53.31 2oii s ALA 958 Cb -0.10 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.32 2oii s ALA 958 CO 0.18 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 175.03 2oii n GLY 959 N 3.96 3.25 3.24 0.00 0.00 0.37 -4.96 105.19 111.04 2oii n GLY 959 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.51 -3.93 1.61 9.92 -1.06 -4.42 116.55 116.22 2oii n ASP 960 Ca 0.00 -0.19 -0.18 0.00 -0.53 0.00 0.00 54.79 53.89 2oii n ASP 960 Cb 0.00 -0.92 -0.15 0.00 -0.64 0.00 0.00 41.12 39.40 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 -2.20 0.51 -0.02 -3.53 2.01 -1.26 -3.54 115.64 107.61 2oii s THR 961 Ca 0.54 -0.19 -0.03 0.00 0.31 0.00 0.00 61.69 62.31 2oii s THR 961 Cb -0.10 -0.49 -0.04 0.00 0.01 0.00 0.00 72.50 71.88 2oii s THR 961 CO 0.62 0.18 0.17 0.68 -0.69 0.00 0.00 174.62 175.58 2oii s VAL 962 N 0.37 5.37 0.02 3.82 -7.23 -1.23 -4.01 120.40 117.51 2oii s VAL 962 Ca -0.05 -0.14 0.01 0.00 -1.81 0.00 0.00 61.98 59.99 2oii s VAL 962 Cb -0.09 -3.48 -0.01 0.00 0.56 0.00 0.00 36.38 33.36 2oii s VAL 962 CO -0.00 0.36 -0.04 0.00 -0.31 0.00 0.00 175.10 175.11 2oii s VAL 964 N -0.95 5.14 -0.18 0.00 1.01 -1.26 0.10 120.40 124.27 2oii s VAL 964 Ca -0.09 0.75 -0.17 0.00 0.00 0.00 0.00 61.98 62.48 2oii s VAL 964 Cb -0.07 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2oii s VAL 964 CO -0.00 0.51 0.43 -0.62 0.00 0.00 0.00 175.10 175.41 2oii s ASP 965 N -0.53 6.51 -0.45 3.32 -1.08 -0.95 -4.77 116.67 118.73 2oii s ASP 965 Ca 0.22 0.61 0.09 0.00 -0.52 0.00 0.00 52.55 52.95 2oii s ASP 965 Cb -0.15 -2.25 0.35 0.00 -1.46 0.00 0.00 42.92 39.40 2oii s ASP 965 CO 0.10 -0.06 0.81 -0.11 0.52 0.00 0.00 175.17 176.44 2oii n LEU 966 N 4.27 2.23 -3.20 -1.34 7.94 -1.26 -3.67 117.00 121.97 2oii n LEU 966 Ca -0.08 -5.27 0.00 0.00 -1.11 0.00 0.00 56.01 49.55 2oii n LEU 966 Cb 0.51 0.23 -0.02 0.00 0.53 0.00 0.00 43.42 44.67 2oii n LEU 966 CO 0.41 2.32 0.06 -0.69 -1.11 0.00 0.00 177.39 178.37 2oii s VAL 967 N -3.21 -0.91 -0.38 1.96 1.01 -1.26 -5.05 120.40 112.56 2oii s VAL 967 Ca 0.43 -0.10 0.11 0.00 0.00 0.00 0.00 61.98 62.43 2oii s VAL 967 Cb 0.32 -0.70 0.35 0.00 0.00 0.00 0.00 36.38 36.35 2oii s VAL 967 CO -0.10 -0.07 0.80 0.23 0.00 0.00 0.00 175.10 175.96 2oii n MET 968 N 5.06 0.99 0.00 2.72 2.81 -1.26 -5.04 117.12 122.40 2oii n MET 968 Ca 0.06 -3.14 0.00 0.00 -1.81 0.00 0.00 57.70 52.82 2oii n MET 968 Cb 0.54 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 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 0.27 3.48 0.06 3.03 0.00 -1.26 -4.22 105.19 106.56 2oii n GLY 969 Ca 0.21 -0.59 -0.04 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.41 115.11 110.09 2oii h GLN 970 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 2oii h GLN 970 Cb 0.00 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.69 2oii h GLN 970 CO 0.00 0.17 0.17 -0.11 -1.93 0.00 0.00 178.83 177.14 2oii n LEU 971 N -4.71 1.70 0.00 -2.39 7.94 -1.26 -4.78 117.00 113.50 2oii n LEU 971 Ca -0.04 -1.41 0.00 0.00 -1.11 0.00 0.00 56.01 53.45 2oii n LEU 971 Cb 0.14 -1.62 0.00 0.00 0.53 0.00 0.00 43.42 42.47 2oii n LEU 971 CO 0.07 -2.54 0.00 0.00 -1.11 0.00 0.00 177.39 173.81 2oii n ALA 972 N 18.10 0.00 -2.62 1.96 0.00 -1.26 -5.16 120.51 131.53 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 -0.05 2.45 -0.19 0.00 2.46 -1.26 -5.13 115.29 113.57 2oii s HIS 973 Ca 0.00 -0.70 -0.09 0.00 0.47 0.00 0.00 55.06 54.74 2oii s HIS 973 Cb 0.00 -1.78 -0.05 0.00 -0.13 0.00 0.00 32.58 30.63 2oii s HIS 973 CO 0.00 0.40 0.10 0.45 -2.47 0.00 0.00 174.74 173.22 2oii s SER 974 N -3.75 5.98 0.12 9.88 0.15 -1.26 -5.08 113.70 119.74 2oii s SER 974 Ca 0.32 0.18 -0.20 0.00 0.70 0.00 0.00 55.95 56.95 2oii s SER 974 Cb 0.09 -2.04 0.05 0.00 -1.71 0.00 0.00 66.02 62.41 2oii s SER 974 CO 0.17 0.18 0.49 -0.70 1.20 0.00 0.00 173.24 174.58 2oii s GLU 975 N 0.33 1.13 -0.40 5.44 -6.30 -1.26 -5.12 118.70 112.52 2oii s GLU 975 Ca 0.06 -0.52 0.02 0.00 -2.50 0.00 0.00 54.97 52.03 2oii s GLU 975 Cb -0.12 0.51 0.15 0.00 0.00 0.00 0.00 34.13 34.67 2oii s GLU 975 CO -0.01 -0.45 0.27 -1.83 0.02 0.00 0.00 175.26 173.26 2oii s GLU 976 N -3.46 0.84 0.22 4.30 4.04 -1.26 -5.13 118.70 118.25 2oii s GLU 976 Ca 0.00 -1.77 -0.04 0.00 0.04 0.00 0.00 54.97 53.20 2oii s GLU 976 Cb 0.00 -1.55 0.05 0.00 0.02 0.00 0.00 34.13 32.66 2oii s GLU 976 CO -0.10 -1.27 0.22 -0.35 -1.84 0.00 0.00 175.26 171.92 2oii n PRO 977 N 3.46 -1.08 -4.27 -4.83 -0.04 -1.26 -5.08 135.00 121.91 2oii n PRO 977 Ca 0.18 -0.34 -0.19 0.00 -0.04 0.00 0.00 63.50 63.11 2oii n PRO 977 Cb 0.41 -0.29 -0.11 0.00 -0.04 0.00 0.00 33.50 33.46 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 -0.12 1.53 1.02 -1.26 -5.00 118.68 117.26 2oii s LEU 978 Ca 0.13 -0.81 -0.13 0.00 0.02 0.00 0.00 54.13 53.35 2oii s LEU 978 Cb -0.01 -0.65 0.03 0.00 0.02 0.00 0.00 46.19 45.58 2oii s LEU 978 CO 0.10 -0.10 0.35 0.42 0.02 0.00 0.00 176.35 177.15 2oii s THR 979 N -2.02 0.01 -0.18 5.49 -4.23 -1.26 -4.83 115.64 108.62 2oii s THR 979 Ca 0.10 -0.06 -0.05 0.00 -1.18 0.00 0.00 61.69 60.50 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 -0.03 0.01 -0.63 -0.54 0.00 0.00 174.62 173.47 2oii s ILE 980 N -0.01 4.22 -0.37 2.99 -1.09 -1.26 -4.39 121.20 121.28 2oii s ILE 980 Ca -0.02 -0.23 0.03 0.00 -2.23 0.00 0.00 60.65 58.20 2oii s ILE 980 Cb -0.03 -2.89 0.11 0.00 -1.58 0.00 0.00 42.46 38.07 2oii s ILE 980 CO 0.01 0.46 0.09 0.12 -1.23 0.00 0.00 174.94 174.39 2oii s PHE 981 N 0.59 3.38 0.23 3.97 2.19 -1.21 -2.99 117.98 124.14 2oii s PHE 981 Ca -0.00 -2.86 0.07 0.00 0.33 0.00 0.00 56.93 54.47 2oii s PHE 981 Cb -0.14 -2.74 -0.04 0.00 -1.31 0.00 0.00 43.02 38.80 2oii s PHE 981 CO 0.02 -0.91 0.10 -1.54 1.83 0.00 0.00 175.22 174.72 2oii s SER 982 N 0.79 5.12 -0.30 6.13 1.04 -1.22 -2.58 113.70 122.69 2oii s SER 982 Ca 0.12 -0.37 -0.11 0.00 0.48 0.00 0.00 55.95 56.07 2oii s SER 982 Cb -0.20 -1.19 0.18 0.00 0.10 0.00 0.00 66.02 64.91 2oii s SER 982 CO -0.09 0.01 0.99 -0.83 0.98 0.00 0.00 173.24 174.31 2oii s GLY 983 N -3.52 -0.50 0.06 7.32 0.00 -0.46 -2.98 107.32 107.25 2oii s GLY 983 Ca 0.31 2.55 0.04 0.00 0.00 0.00 0.00 44.72 47.63 2oii s GLY 983 CO 0.22 3.80 -0.02 0.00 0.00 0.00 0.00 173.10 177.10 2oii s ALA 984 N 2.94 3.21 0.21 3.20 0.00 -1.09 -2.58 121.76 127.65 2oii s ALA 984 Ca 0.05 -1.09 -0.30 0.00 0.00 0.00 0.00 51.96 50.62 2oii s ALA 984 Cb -0.10 -1.18 -0.09 0.00 0.00 0.00 0.00 23.12 21.76 2oii s ALA 984 CO -0.14 0.67 1.29 -1.17 0.00 0.00 0.00 175.76 176.42 2oii s LEU 985 N -2.04 4.42 -0.09 0.00 2.96 -1.19 -3.15 118.68 119.59 2oii s LEU 985 Ca 0.23 2.41 -0.12 0.00 -0.22 0.00 0.00 54.13 56.42 2oii s LEU 985 Cb -0.11 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 2oii s LEU 985 CO 0.15 -0.50 -0.24 -0.11 -1.32 0.00 0.00 176.35 174.33 2oii n LEU 986 N 2.42 1.65 -3.87 -0.68 7.94 -1.24 -4.91 117.00 118.31 2oii n LEU 986 Ca 0.05 0.27 -0.11 0.00 -1.11 0.00 0.00 56.01 55.10 2oii n LEU 986 Cb 0.43 -0.61 -0.11 0.00 0.53 0.00 0.00 43.42 43.66 2oii n LEU 986 CO 0.58 -0.42 -0.21 -0.47 -1.11 0.00 0.00 177.39 175.76 2oii s TYR 987 N -2.59 -0.01 0.31 1.96 5.04 -1.04 -5.06 117.35 115.97 2oii s TYR 987 Ca -0.20 0.01 0.09 0.00 -2.44 0.00 0.00 57.07 54.53 2oii s TYR 987 Cb 0.03 -0.03 -0.04 0.00 0.35 0.00 0.00 41.96 42.27 2oii s TYR 987 CO 0.29 -0.20 0.08 0.20 -1.34 0.00 0.00 175.55 174.59 2oii s GLY 988 N -0.85 1.85 -0.36 8.97 0.00 -1.26 -1.59 107.32 114.07 2oii s GLY 988 Ca -0.09 -1.77 -0.29 0.00 0.00 0.00 0.00 44.72 42.56 2oii s GLY 988 CO 0.01 -1.75 1.33 0.99 0.00 0.00 0.00 173.10 173.67 2oii s ASP 989 N -3.78 6.54 -1.25 1.64 1.01 -0.98 -4.83 116.67 115.01 2oii s ASP 989 Ca 0.35 0.97 -0.10 0.00 0.71 0.00 0.00 52.55 54.49 2oii s ASP 989 Cb -0.04 -2.54 0.18 0.00 1.01 0.00 0.00 42.92 41.53 2oii s ASP 989 CO 0.21 -1.24 1.77 -0.81 0.21 0.00 0.00 175.17 175.32 2oii n PRO 990 N 7.67 3.64 0.00 8.23 -0.04 -1.26 -4.83 135.00 148.41 2oii n PRO 990 Ca 0.15 -3.66 0.00 0.00 -0.04 0.00 0.00 63.50 59.95 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 3.97 0.00 -1.41 0.54 1.02 -1.26 -4.72 120.64 118.78 2oii n GLU 991 Ca 0.38 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 31.75 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 -4.92 -4.62 4.77 -1.26 -4.93 117.00 105.19 2oii n LEU 992 Ca 0.00 0.28 -0.27 0.00 -0.03 0.00 0.00 56.01 55.99 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 0.17 -1.61 -1.33 0.00 0.00 177.39 174.06 2oii s GLU 993 N -3.12 3.56 -0.34 3.23 2.02 -1.26 -5.08 118.70 117.70 2oii s GLU 993 Ca 0.00 -0.16 0.01 0.00 0.02 0.00 0.00 54.97 54.84 2oii s GLU 993 Cb 0.00 -2.67 0.15 0.00 0.10 0.00 0.00 34.13 31.70 2oii s GLU 993 CO 0.00 0.21 0.31 -1.01 0.02 0.00 0.00 175.26 174.79 2oii s HIS 994 N -2.15 -0.11 -1.21 1.61 3.76 -1.26 -5.25 115.29 110.67 2oii s HIS 994 Ca 0.42 -0.83 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 2oii s HIS 994 Cb -0.10 -0.54 0.00 0.00 1.11 0.00 0.00 32.58 33.05 2oii s HIS 994 CO 0.32 -0.93 0.30 0.00 -0.85 0.00 0.00 174.74 173.59