#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qkr s ASP 882 N 0.00 6.42 0.37 0.00 1.01 -1.26 -5.07 116.67 118.14 1qkr s ASP 882 Ca 0.00 0.67 -0.26 0.00 0.71 0.00 0.00 52.55 53.67 1qkr s ASP 882 Cb 0.00 -2.13 -0.09 0.00 1.01 0.00 0.00 42.92 41.71 1qkr s ASP 882 CO 0.00 -0.21 1.10 -0.70 0.21 0.00 0.00 175.17 175.57 1qkr s GLU 883 N -3.66 4.26 0.60 8.23 2.56 -1.26 -5.02 118.70 124.42 1qkr s GLU 883 Ca 0.43 1.68 -0.15 0.00 0.00 0.00 0.00 54.97 56.93 1qkr s GLU 883 Cb -0.11 -2.75 -0.03 0.00 2.00 0.00 0.00 34.13 33.24 1qkr s GLU 883 CO 0.31 -0.10 1.05 -1.21 -0.56 0.00 0.00 175.26 174.76 1qkr s GLU 884 N -2.16 3.31 0.02 4.30 2.02 -1.26 -5.06 118.70 119.87 1qkr s GLU 884 Ca 0.54 1.14 -0.00 0.00 0.02 0.00 0.00 54.97 56.66 1qkr s GLU 884 Cb -0.27 -2.03 -0.04 0.00 0.10 0.00 0.00 34.13 31.89 1qkr s GLU 884 CO 0.34 -0.82 0.14 0.12 0.02 0.00 0.00 175.26 175.06 1qkr s PHE 885 N -2.58 3.39 0.30 1.61 5.36 -1.26 -5.06 117.98 119.75 1qkr s PHE 885 Ca 0.62 0.24 -0.28 0.00 -0.96 0.00 0.00 56.93 56.55 1qkr s PHE 885 Cb -0.15 -1.75 -0.14 0.00 -0.34 0.00 0.00 43.02 40.64 1qkr s PHE 885 CO 0.40 0.58 1.01 -2.30 -1.46 0.00 0.00 175.22 173.45 1qkr n PRO 886 N 0.81 1.36 -1.89 10.12 -0.02 -1.26 -4.89 135.00 139.23 1qkr n PRO 886 Ca -0.10 0.48 -0.41 0.00 -2.02 0.00 0.00 63.50 61.44 1qkr n PRO 886 Cb 0.52 -1.86 -0.01 0.00 -0.02 0.00 0.00 33.50 32.13 1qkr n PRO 886 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1qkr s GLU 887 N -1.59 4.19 -0.15 -0.52 2.56 -1.26 -4.95 118.70 116.97 1qkr s GLU 887 Ca 0.59 2.46 -0.27 0.00 0.00 0.00 0.00 54.97 57.75 1qkr s GLU 887 Cb -0.69 -3.03 -0.01 0.00 2.00 0.00 0.00 34.13 32.40 1qkr s GLU 887 CO 0.60 -0.48 0.90 -1.14 -0.56 0.00 0.00 175.26 174.57 1qkr s GLN 888 N -1.26 4.33 0.33 4.30 0.74 -1.26 -5.05 119.66 121.79 1qkr s GLN 888 Ca 0.56 1.15 0.03 0.00 0.05 0.00 0.00 55.36 57.15 1qkr s GLN 888 Cb -0.45 -3.57 -0.02 0.00 1.10 0.00 0.00 33.01 30.07 1qkr s GLN 888 CO 0.53 -0.34 0.49 0.15 -0.55 0.00 0.00 175.29 175.57 1qkr s LYS 889 N 2.17 3.30 0.34 1.67 1.02 -1.26 -5.04 119.74 121.94 1qkr s LYS 889 Ca 0.42 -0.67 -0.29 0.00 0.02 0.00 0.00 55.97 55.45 1qkr s LYS 889 Cb -0.17 -2.75 -0.11 0.00 -0.52 0.00 0.00 37.83 34.28 1qkr s LYS 889 CO 0.13 0.13 1.51 0.00 -0.92 0.00 0.00 175.35 176.21 1qkr s ALA 890 N -2.22 3.63 -0.02 5.17 0.00 -1.26 -2.29 121.76 124.76 1qkr s ALA 890 Ca 0.41 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.91 1qkr s ALA 890 Cb -0.09 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1qkr s ALA 890 CO 0.33 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.51 1qkr n GLY 891 N 1.18 0.47 0.25 0.00 0.00 -1.26 -4.94 105.19 100.89 1qkr n GLY 891 Ca 0.04 -0.15 0.02 0.00 0.00 0.00 0.00 46.02 45.93 1qkr n GLY 891 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1qkr h GLU 892 N 0.79 0.42 -0.59 1.61 4.81 -1.83 -0.19 114.58 119.60 1qkr h GLU 892 Ca -0.00 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.28 1qkr h GLU 892 Cb 0.08 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.30 1qkr h GLU 892 CO 0.01 0.28 0.23 0.00 -0.73 0.00 0.00 179.01 178.80 1qkr h ALA 893 N 1.47 0.76 0.15 2.92 0.00 -1.88 0.42 119.26 123.11 1qkr h ALA 893 Ca 0.35 0.07 -0.25 0.00 0.00 0.00 0.00 54.91 55.08 1qkr h ALA 893 Cb 0.46 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.30 1qkr h ALA 893 CO -0.34 -0.17 -1.17 0.82 0.00 0.00 0.00 179.25 178.39 1qkr h ILE 894 N 0.42 1.29 -0.02 0.00 1.08 -1.92 -3.25 117.51 115.12 1qkr h ILE 894 Ca 0.29 -2.52 -0.25 0.00 -0.39 0.00 0.00 64.86 61.99 1qkr h ILE 894 Cb 0.33 3.00 0.02 0.00 -3.07 0.00 0.00 36.82 37.10 1qkr h ILE 894 CO -0.28 0.74 -0.98 0.78 -0.69 0.00 0.00 178.15 177.72 1qkr h ASN 895 N -0.24 0.89 -2.08 1.72 -0.26 -0.96 -3.39 115.58 111.26 1qkr h ASN 895 Ca -0.23 -0.73 -0.57 0.00 -0.56 0.00 0.00 56.30 54.22 1qkr h ASN 895 Cb 1.79 -0.27 -0.40 0.00 -1.06 0.00 0.00 38.32 38.38 1qkr h ASN 895 CO 0.14 1.50 -0.92 0.00 -1.06 0.00 0.00 177.43 177.10 1qkr n GLN 896 N -3.89 1.47 -1.69 0.81 6.02 0.15 -5.05 117.38 115.19 1qkr n GLN 896 Ca -0.11 -3.80 -0.44 0.00 -0.01 0.00 0.00 57.00 52.64 1qkr n GLN 896 Cb 0.85 -1.65 -0.03 0.00 1.02 0.00 0.00 30.24 30.43 1qkr n GLN 896 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1qkr n PRO 897 N 1.07 2.60 0.00 -1.09 -0.04 -1.22 -4.60 135.00 131.72 1qkr n PRO 897 Ca 0.25 0.94 0.00 0.00 -0.04 0.00 0.00 63.50 64.65 1qkr n PRO 897 Cb 0.49 -2.81 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 1qkr n PRO 897 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qkr n ALA 901 N 5.24 0.00 -0.14 0.55 0.00 -1.26 -4.95 120.51 119.96 1qkr n ALA 901 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.60 1qkr n ALA 901 Cb 0.35 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.99 1qkr n ALA 901 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qkr h ALA 902 N 0.00 1.23 -0.34 0.00 0.00 -1.92 -2.54 119.26 115.69 1qkr h ALA 902 Ca 0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1qkr h ALA 902 Cb 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1qkr h ALA 902 CO 0.00 0.54 -0.18 -0.09 0.00 0.00 0.00 179.25 179.52 1qkr h ARG 903 N 0.82 0.64 -0.33 0.00 2.43 -1.95 -1.33 114.38 114.66 1qkr h ARG 903 Ca 0.18 -0.23 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 1qkr h ARG 903 Cb 0.26 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1qkr h ARG 903 CO -0.01 0.79 -0.08 1.96 -1.51 0.00 0.00 179.97 181.13 1qkr h GLN 904 N 0.57 0.55 -0.08 0.20 4.20 -1.90 0.87 115.11 119.52 1qkr h GLN 904 Ca 0.09 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 1qkr h GLN 904 Cb 0.64 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1qkr h GLN 904 CO 0.04 0.63 -0.15 1.25 -0.67 0.00 0.00 178.83 179.94 1qkr h LEU 905 N 0.52 0.28 -0.33 1.46 5.85 -1.20 -2.78 115.31 119.10 1qkr h LEU 905 Ca 0.10 -0.55 0.07 0.00 0.84 0.00 0.00 57.88 58.34 1qkr h LEU 905 Cb 0.45 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 1qkr h LEU 905 CO 0.02 0.77 -0.17 -0.74 -0.34 0.00 0.00 178.44 177.99 1qkr h HIS 906 N -0.21 -0.41 -0.71 1.25 2.76 -1.05 0.02 115.15 116.79 1qkr h HIS 906 Ca 0.01 0.04 0.11 0.00 -2.20 0.00 0.00 60.37 58.33 1qkr h HIS 906 Cb 0.72 0.23 -0.05 0.00 1.55 0.00 0.00 27.41 29.87 1qkr h HIS 906 CO 0.11 -0.24 0.47 -0.44 -1.30 0.00 0.00 177.93 176.53 1qkr h ASP 907 N -0.12 0.47 0.00 3.26 5.19 -0.78 -0.03 116.42 124.40 1qkr h ASP 907 Ca 0.17 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.58 1qkr h ASP 907 Cb 0.37 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.80 1qkr h ASP 907 CO -0.40 0.27 -0.07 -0.08 -3.12 0.00 0.00 179.24 175.84 1qkr h GLU 908 N 0.51 0.05 0.00 3.56 4.57 -1.01 -3.33 114.58 118.93 1qkr h GLU 908 Ca 0.34 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.43 1qkr h GLU 908 Cb 0.62 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 1qkr h GLU 908 CO -0.11 0.84 -0.18 0.00 -1.18 0.00 0.00 179.01 178.37 1qkr h ALA 909 N 0.21 1.69 0.00 2.92 0.00 -0.52 -2.69 119.26 120.87 1qkr h ALA 909 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1qkr h ALA 909 Cb 0.86 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1qkr h ALA 909 CO 0.01 0.23 0.00 2.89 0.00 0.00 0.00 179.25 182.38 1qkr n ARG 910 N -4.31 0.10 0.24 0.00 1.85 -0.07 -1.94 116.66 112.53 1qkr n ARG 910 Ca -0.02 0.40 0.11 0.00 -1.00 0.00 0.00 57.85 57.33 1qkr n ARG 910 Cb 0.24 -1.71 0.60 0.00 -1.05 0.00 0.00 32.46 30.54 1qkr n ARG 910 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 1qkr h LYS 911 N 0.00 0.00 -6.56 2.89 1.57 -1.63 -3.42 116.57 109.42 1qkr h LYS 911 Ca 0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 1qkr h LYS 911 Cb 0.24 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.38 1qkr h LYS 911 CO 0.00 0.18 -0.77 -1.58 -0.57 0.00 0.00 179.45 176.71 1qkr s TRP 912 N -4.01 2.50 0.39 -1.35 0.52 -0.82 -0.67 118.94 115.50 1qkr s TRP 912 Ca -0.02 -0.28 -0.24 0.00 0.02 0.00 0.00 56.10 55.58 1qkr s TRP 912 Cb 0.12 -1.25 -0.09 0.00 -1.15 0.00 0.00 33.47 31.11 1qkr s TRP 912 CO 0.62 0.48 1.06 0.45 0.02 0.00 0.00 176.95 179.58 1qkr s SER 913 N -2.64 6.76 0.28 2.95 0.15 -0.44 -4.70 113.70 116.06 1qkr s SER 913 Ca 0.22 2.08 0.22 0.00 0.70 0.00 0.00 55.95 59.17 1qkr s SER 913 Cb -0.09 -2.59 0.12 0.00 -1.71 0.00 0.00 66.02 61.75 1qkr s SER 913 CO 0.12 -0.49 1.26 0.28 1.20 0.00 0.00 173.24 175.61 1qkr h SER 914 N 2.59 0.00 -2.39 5.45 0.02 -1.91 -3.42 113.55 113.88 1qkr h SER 914 Ca -0.48 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 59.94 1qkr h SER 914 Cb 1.22 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.78 1qkr h SER 914 CO 0.63 0.09 1.22 -0.75 -1.14 0.00 0.00 176.83 176.87 1qkr s LYS 915 N -3.24 4.14 0.00 3.45 2.20 -1.26 -1.19 119.74 123.85 1qkr s LYS 915 Ca 0.02 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.23 1qkr s LYS 915 Cb 0.08 -4.09 0.00 0.00 -1.51 0.00 0.00 37.83 32.30 1qkr s LYS 915 CO 0.75 -0.94 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 1qkr n GLY 916 N 4.50 0.39 2.50 5.54 0.00 -1.26 -4.74 105.19 112.11 1qkr n GLY 916 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1qkr n GLY 916 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qkr s ASN 917 N -2.01 3.12 0.39 1.61 3.84 -0.33 -1.78 114.94 119.78 1qkr s ASN 917 Ca 0.00 -2.07 0.28 0.00 0.21 0.00 0.00 52.86 51.28 1qkr s ASN 917 Cb 0.00 -0.44 1.19 0.00 -0.55 0.00 0.00 41.25 41.44 1qkr s ASN 917 CO 0.00 -0.33 1.84 0.44 -2.79 0.00 0.00 177.10 176.27 1qkr h ASP 918 N 7.22 0.00 -0.20 -4.21 3.32 -1.94 -2.26 116.42 118.35 1qkr h ASP 918 Ca 0.01 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 1qkr h ASP 918 Cb 0.97 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.52 1qkr h ASP 918 CO 0.31 0.00 -0.26 0.40 -1.72 0.00 0.00 179.24 177.97 1qkr h ILE 919 N 0.00 1.33 -0.53 0.35 2.04 -1.93 -0.46 117.51 118.31 1qkr h ILE 919 Ca 0.00 -1.45 -0.10 0.00 1.00 0.00 0.00 64.86 64.31 1qkr h ILE 919 Cb 0.41 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 1qkr h ILE 919 CO 0.00 0.44 -0.05 0.40 0.00 0.00 0.00 178.15 178.94 1qkr h ILE 920 N 0.19 1.27 -0.28 -0.67 1.08 -1.84 0.11 117.51 117.36 1qkr h ILE 920 Ca 0.02 -1.18 -0.00 0.00 -0.39 0.00 0.00 64.86 63.31 1qkr h ILE 920 Cb 0.82 0.96 -0.01 0.00 -3.07 0.00 0.00 36.82 35.52 1qkr h ILE 920 CO 0.06 0.42 0.18 0.00 -0.69 0.00 0.00 178.15 178.11 1qkr h ALA 921 N 0.93 0.36 -0.66 1.87 0.00 -1.38 -0.42 119.26 119.96 1qkr h ALA 921 Ca 0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1qkr h ALA 921 Cb 0.60 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1qkr h ALA 921 CO 0.04 -0.15 0.29 0.00 0.00 0.00 0.00 179.25 179.42 1qkr h ALA 922 N 1.08 0.85 -0.77 0.00 0.00 -0.84 -1.88 119.26 117.71 1qkr h ALA 922 Ca 0.10 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1qkr h ALA 922 Cb -0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1qkr h ALA 922 CO -0.02 0.45 0.30 0.00 0.00 0.00 0.00 179.25 179.97 1qkr h ALA 923 N 1.13 1.00 -0.36 0.00 0.00 -0.43 -2.51 119.26 118.09 1qkr h ALA 923 Ca 0.22 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1qkr h ALA 923 Cb 0.17 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1qkr h ALA 923 CO -0.02 0.63 -0.17 0.87 0.00 0.00 0.00 179.25 180.56 1qkr h LYS 924 N 1.11 0.66 -0.86 0.00 1.57 -0.91 -1.81 116.57 116.33 1qkr h LYS 924 Ca 0.25 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1qkr h LYS 924 Cb 0.23 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1qkr h LYS 924 CO -0.02 0.79 0.00 -2.13 -0.57 0.00 0.00 179.45 177.52 1qkr n ARG 925 N -4.15 0.28 0.00 3.15 0.63 -0.72 -2.26 116.66 113.59 1qkr n ARG 925 Ca 0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1qkr n ARG 925 Cb 0.38 -1.23 0.00 0.00 0.45 0.00 0.00 32.46 32.06 1qkr n ARG 925 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1qkr n ALA 927 N 0.56 0.00 -0.15 5.13 0.00 -0.68 -1.26 120.51 124.12 1qkr n ALA 927 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1qkr n ALA 927 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1qkr n ALA 927 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1qkr h LEU 928 N 0.00 1.01 -2.09 0.00 3.38 -1.73 -1.90 115.31 113.97 1qkr h LEU 928 Ca 0.00 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1qkr h LEU 928 Cb 0.00 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1qkr h LEU 928 CO 0.00 1.20 0.00 0.18 0.09 0.00 0.00 178.44 179.91 1qkr n LEU 929 N -4.10 0.76 0.00 1.67 4.77 -0.38 -1.76 117.00 117.96 1qkr n LEU 929 Ca -0.00 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1qkr n LEU 929 Cb 0.48 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1qkr n LEU 929 CO 0.47 0.13 0.00 0.00 -1.33 0.00 0.00 177.39 176.66 1qkr n ALA 931 N 0.93 0.00 0.35 -1.18 0.00 -0.72 -4.67 120.51 115.23 1qkr n ALA 931 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1qkr n ALA 931 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1qkr n ALA 931 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1qkr n GLU 932 N 0.00 0.42 0.00 0.00 2.13 -0.72 -2.32 120.64 120.15 1qkr n GLU 932 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1qkr n GLU 932 Cb 0.00 -1.29 0.00 0.00 0.27 0.00 0.00 31.44 30.42 1qkr n GLU 932 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1qkr n SER 934 N 0.90 0.00 -0.15 4.31 2.88 -1.26 -0.91 113.62 119.39 1qkr n SER 934 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1qkr n SER 934 Cb 0.21 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.66 1qkr n SER 934 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1qkr h ARG 935 N 0.00 0.86 -0.75 -1.46 2.43 -1.86 -3.26 114.38 110.34 1qkr h ARG 935 Ca 0.00 -0.34 -0.05 0.00 -0.81 0.00 0.00 59.98 58.78 1qkr h ARG 935 Cb 0.00 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 1qkr h ARG 935 CO 0.00 0.98 0.26 -0.07 -1.51 0.00 0.00 179.97 179.62 1qkr h LEU 936 N 0.70 1.07 -0.18 3.80 3.38 -1.31 -2.78 115.31 119.99 1qkr h LEU 936 Ca 0.11 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1qkr h LEU 936 Cb 0.67 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1qkr h LEU 936 CO 0.05 0.98 0.00 1.33 0.09 0.00 0.00 178.44 180.89 1qkr n VAL 937 N -4.26 0.92 0.74 1.22 0.24 -1.23 -1.67 118.33 114.29 1qkr n VAL 937 Ca 0.06 0.23 0.10 0.00 -2.04 0.00 0.00 64.34 62.69 1qkr n VAL 937 Cb 0.21 -1.02 0.27 0.00 -1.47 0.00 0.00 33.84 31.84 1qkr n VAL 937 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1qkr n ARG 938 N -1.70 2.04 -0.42 7.34 1.74 -1.05 -4.92 116.66 119.69 1qkr n ARG 938 Ca 0.03 -1.59 0.00 0.00 -0.77 0.00 0.00 57.85 55.52 1qkr n ARG 938 Cb 0.19 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 1qkr n ARG 938 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qkr n GLY 939 N 1.26 2.75 0.00 -0.13 0.00 -0.67 -5.13 105.19 103.27 1qkr n GLY 939 Ca 0.17 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1qkr n GLY 939 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qkr n GLY 940 N 5.00 2.87 0.19 -0.02 0.00 -1.26 -4.46 105.19 107.51 1qkr n GLY 940 Ca 0.00 -2.10 0.11 0.00 0.00 0.00 0.00 46.02 44.03 1qkr n GLY 940 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qkr h SER 941 N 0.00 0.00 0.86 1.61 4.64 -1.86 -1.18 113.55 117.63 1qkr h SER 941 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qkr h SER 941 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1qkr h SER 941 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1qkr n GLY 942 N -1.26 -1.34 1.22 -0.77 0.00 -1.26 -2.74 105.19 99.04 1qkr n GLY 942 Ca -0.01 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1qkr n GLY 942 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qkr n ASN 943 N -2.12 3.64 0.02 1.61 3.02 -0.44 -4.66 115.26 116.32 1qkr n ASN 943 Ca 0.03 -2.00 -0.11 0.00 -0.03 0.00 0.00 54.58 52.47 1qkr n ASN 943 Cb 0.27 -0.33 -0.07 0.00 -0.61 0.00 0.00 39.78 39.04 1qkr n ASN 943 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1qkr h LYS 944 N 4.43 -0.44 -0.81 3.52 3.64 -1.69 0.87 116.57 126.10 1qkr h LYS 944 Ca 0.00 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1qkr h LYS 944 Cb 0.99 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.87 1qkr h LYS 944 CO 0.00 -0.29 0.44 -0.09 -2.27 0.00 0.00 179.45 177.23 1qkr h ARG 945 N -0.46 1.13 -0.61 1.90 2.43 -1.85 -2.47 114.38 114.45 1qkr h ARG 945 Ca 0.02 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 1qkr h ARG 945 Cb 0.51 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 1qkr h ARG 945 CO -0.29 0.83 0.33 0.00 -1.51 0.00 0.00 179.97 179.33 1qkr h ALA 946 N 1.35 0.78 -0.81 2.80 0.00 -1.78 -0.90 119.26 120.70 1qkr h ALA 946 Ca 0.28 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1qkr h ALA 946 Cb 0.04 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1qkr h ALA 946 CO -0.04 0.30 0.53 1.25 0.00 0.00 0.00 179.25 181.29 1qkr h LEU 947 N 0.82 0.92 -0.51 0.00 5.85 -0.45 0.12 115.31 122.08 1qkr h LEU 947 Ca 0.21 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.79 1qkr h LEU 947 Cb 0.05 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1qkr h LEU 947 CO -0.03 0.67 -0.17 0.40 -0.34 0.00 0.00 178.44 178.97 1qkr h ILE 948 N 1.09 1.27 -0.43 4.05 2.04 -1.07 -2.39 117.51 122.07 1qkr h ILE 948 Ca 0.30 -1.33 -0.13 0.00 1.00 0.00 0.00 64.86 64.70 1qkr h ILE 948 Cb -0.12 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1qkr h ILE 948 CO -0.07 0.46 -0.26 -0.61 0.00 0.00 0.00 178.15 177.68 1qkr h GLN 949 N 0.87 0.89 -0.52 2.37 5.75 -0.77 -1.78 115.11 121.92 1qkr h GLN 949 Ca 0.12 -0.39 0.05 0.00 -0.15 0.00 0.00 58.65 58.28 1qkr h GLN 949 Cb 0.74 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 29.22 1qkr h GLN 949 CO 0.06 1.04 0.26 0.00 -2.65 0.00 0.00 178.83 177.54 1qkr h ALA 951 N 1.29 1.18 -0.49 0.00 0.00 -1.16 -0.33 119.26 119.76 1qkr h ALA 951 Ca 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1qkr h ALA 951 Cb 0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1qkr h ALA 951 CO -0.17 0.62 0.24 -0.22 0.00 0.00 0.00 179.25 179.72 1qkr h LYS 952 N 1.12 0.70 -0.66 0.00 3.64 -0.29 -1.13 116.57 119.96 1qkr h LYS 952 Ca 0.27 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 1qkr h LYS 952 Cb 0.11 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1qkr h LYS 952 CO -0.04 0.58 0.10 -0.44 -2.27 0.00 0.00 179.45 177.39 1qkr h ASP 953 N 0.64 1.04 -0.57 4.20 3.32 -0.20 -1.82 116.42 123.02 1qkr h ASP 953 Ca 0.17 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 1qkr h ASP 953 Cb 0.11 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 1qkr h ASP 953 CO -0.02 1.03 0.23 0.40 -1.72 0.00 0.00 179.24 179.16 1qkr h ILE 954 N 1.01 1.22 -0.36 0.35 2.04 -0.78 -2.35 117.51 118.64 1qkr h ILE 954 Ca 0.20 -0.70 -0.06 0.00 1.00 0.00 0.00 64.86 65.30 1qkr h ILE 954 Cb 0.44 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1qkr h ILE 954 CO 0.01 0.27 -0.03 0.00 0.00 0.00 0.00 178.15 178.40 1qkr h ALA 955 N 1.08 1.27 -0.56 1.87 0.00 -0.92 -0.85 119.26 121.16 1qkr h ALA 955 Ca 0.19 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1qkr h ALA 955 Cb 0.20 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1qkr h ALA 955 CO -0.02 0.49 0.06 -0.22 0.00 0.00 0.00 179.25 179.56 1qkr h LYS 956 N 0.55 0.95 -0.43 0.00 3.64 -1.08 -1.25 116.57 118.96 1qkr h LYS 956 Ca 0.11 -0.27 -0.12 0.00 -1.27 0.00 0.00 60.65 59.10 1qkr h LYS 956 Cb 0.41 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1qkr h LYS 956 CO 0.02 0.93 -0.20 0.00 -2.27 0.00 0.00 179.45 177.92 1qkr h ALA 957 N 0.98 0.84 -0.34 5.00 0.00 -1.09 -2.63 119.26 122.02 1qkr h ALA 957 Ca 0.17 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1qkr h ALA 957 Cb 0.46 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1qkr h ALA 957 CO 0.02 0.64 -0.06 0.66 0.00 0.00 0.00 179.25 180.51 1qkr h SER 958 N 0.74 0.54 -0.07 0.00 4.64 -0.87 -1.67 113.55 116.86 1qkr h SER 958 Ca 0.10 -0.12 -0.08 0.00 -0.47 0.00 0.00 61.79 61.22 1qkr h SER 958 Cb 0.73 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1qkr h SER 958 CO 0.06 0.65 -0.19 0.44 -0.87 0.00 0.00 176.83 176.91 1qkr h ASP 959 N 0.53 0.45 -0.38 4.97 3.32 -0.91 -1.28 116.42 123.11 1qkr h ASP 959 Ca 0.10 -0.13 -0.13 0.00 0.02 0.00 0.00 57.03 56.89 1qkr h ASP 959 Cb 0.43 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1qkr h ASP 959 CO 0.02 0.66 -0.27 -0.08 -1.72 0.00 0.00 179.24 177.85 1qkr h GLU 960 N 0.41 0.86 -0.67 3.56 4.81 -1.05 -1.86 114.58 120.64 1qkr h GLU 960 Ca 0.07 -0.41 -0.01 0.00 -0.13 0.00 0.00 59.36 58.88 1qkr h GLU 960 Cb 0.58 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 1qkr h GLU 960 CO 0.04 1.05 0.39 0.28 -0.73 0.00 0.00 179.01 180.04 1qkr h VAL 961 N 0.66 1.20 -0.38 0.32 2.07 -0.94 -1.92 116.25 117.25 1qkr h VAL 961 Ca 0.08 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 1qkr h VAL 961 Cb 0.84 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1qkr h VAL 961 CO 0.07 0.21 0.07 0.74 0.02 0.00 0.00 177.57 178.68 1qkr h THR 962 N 0.91 1.24 -0.61 2.57 2.02 -1.15 -0.87 112.91 117.02 1qkr h THR 962 Ca 0.24 -0.84 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 1qkr h THR 962 Cb -0.01 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 1qkr h THR 962 CO -0.04 0.29 0.37 -0.09 0.37 0.00 0.00 175.52 176.41 1qkr h ARG 963 N 0.47 0.84 -0.31 6.66 2.43 -1.15 -1.55 114.38 121.77 1qkr h ARG 963 Ca 0.12 -0.08 -0.17 0.00 -0.81 0.00 0.00 59.98 59.03 1qkr h ARG 963 Cb 0.35 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1qkr h ARG 963 CO 0.01 0.60 -0.49 -0.07 -1.51 0.00 0.00 179.97 178.51 1qkr h LEU 964 N 0.83 0.95 -1.26 3.80 3.38 -1.26 -2.80 115.31 118.95 1qkr h LEU 964 Ca 0.22 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 1qkr h LEU 964 Cb -0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1qkr h LEU 964 CO -0.04 1.27 0.18 0.00 0.09 0.00 0.00 178.44 179.94 1qkr h ALA 965 N 0.75 1.41 -0.44 1.53 0.00 -0.92 -1.48 119.26 120.11 1qkr h ALA 965 Ca 0.03 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1qkr h ALA 965 Cb 1.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1qkr h ALA 965 CO 0.11 0.44 -0.07 0.87 0.00 0.00 0.00 179.25 180.61 1qkr h LYS 966 N 0.68 0.76 -0.36 0.00 1.57 -1.13 -1.21 116.57 116.88 1qkr h LYS 966 Ca 0.16 -0.23 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 1qkr h LYS 966 Cb 0.16 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1qkr h LYS 966 CO -0.01 0.82 -0.18 1.49 -0.57 0.00 0.00 179.45 180.99 1qkr h GLU 967 N 0.70 0.76 -0.57 3.15 4.57 -1.14 -1.83 114.58 120.22 1qkr h GLU 967 Ca 0.13 -0.33 -0.03 0.00 -1.18 0.00 0.00 59.36 57.94 1qkr h GLU 967 Cb 0.53 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.07 1qkr h GLU 967 CO 0.03 0.95 0.24 0.28 -1.18 0.00 0.00 179.01 179.33 1qkr h VAL 968 N 0.55 1.20 -0.64 0.32 2.07 -1.12 -1.83 116.25 116.80 1qkr h VAL 968 Ca 0.08 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 1qkr h VAL 968 Cb 0.72 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1qkr h VAL 968 CO 0.05 0.25 0.14 0.00 0.02 0.00 0.00 177.57 178.03 1qkr h ALA 969 N 1.45 1.03 -0.90 1.67 0.00 -0.93 -2.18 119.26 119.40 1qkr h ALA 969 Ca 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1qkr h ALA 969 Cb 0.14 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1qkr h ALA 969 CO -0.02 0.63 0.54 -0.22 0.00 0.00 0.00 179.25 180.18 1qkr h LYS 970 N 0.97 1.22 0.00 0.00 3.64 -0.51 -2.31 116.57 119.57 1qkr h LYS 970 Ca 0.20 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1qkr h LYS 970 Cb 0.37 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1qkr h LYS 970 CO 0.00 0.85 0.00 1.96 -2.27 0.00 0.00 179.45 180.00 1qkr h GLN 971 N 1.24 0.00 -6.38 1.90 4.20 -1.17 -3.45 115.11 111.45 1qkr h GLN 971 Ca 0.32 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.49 1qkr h GLN 971 Cb -0.05 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1qkr h GLN 971 CO -0.06 0.00 0.73 0.00 -0.67 0.00 0.00 178.83 178.83 1qkr n THR 973 N 4.47 0.00 -3.23 0.00 -2.24 -0.37 -4.71 114.28 108.20 1qkr n THR 973 Ca 0.11 -0.12 -0.43 0.00 -2.27 0.00 0.00 64.05 61.34 1qkr n THR 973 Cb 0.45 0.39 -0.07 0.00 -2.10 0.00 0.00 70.33 68.99 1qkr n THR 973 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qkr s ASP 974 N -2.51 6.22 0.26 3.42 -1.08 -1.26 -4.95 116.67 116.78 1qkr s ASP 974 Ca 0.24 -0.78 -0.01 0.00 -0.52 0.00 0.00 52.55 51.48 1qkr s ASP 974 Cb 0.19 -2.26 0.52 0.00 -1.46 0.00 0.00 42.92 39.91 1qkr s ASP 974 CO 0.52 -0.74 1.78 0.50 0.52 0.00 0.00 175.17 177.76 1qkr h LYS 975 N 8.86 0.70 0.17 4.34 1.63 -1.99 -0.82 116.57 129.45 1qkr h LYS 975 Ca -0.27 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.48 1qkr h LYS 975 Cb 1.10 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.58 1qkr h LYS 975 CO 0.88 0.46 -0.08 -0.09 -3.45 0.00 0.00 179.45 177.17 1qkr h ARG 976 N 0.72 -0.22 -0.82 1.90 2.43 -1.98 -1.34 114.38 115.06 1qkr h ARG 976 Ca 0.46 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.64 1qkr h ARG 976 Cb 0.59 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.15 1qkr h ARG 976 CO -0.33 -0.04 0.47 0.82 -1.51 0.00 0.00 179.97 179.38 1qkr h ILE 977 N -0.35 1.23 -0.24 1.20 1.08 -1.90 -0.55 117.51 117.97 1qkr h ILE 977 Ca -0.02 -0.55 -0.01 0.00 -0.39 0.00 0.00 64.86 63.89 1qkr h ILE 977 Cb 0.28 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.12 1qkr h ILE 977 CO 0.04 0.25 0.12 -0.09 -0.69 0.00 0.00 178.15 177.78 1qkr h ARG 978 N 1.14 0.34 -0.06 2.37 2.43 -1.03 0.08 114.38 119.65 1qkr h ARG 978 Ca 0.29 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1qkr h ARG 978 Cb -0.01 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1qkr h ARG 978 CO -0.05 0.33 0.03 1.15 -1.51 0.00 0.00 179.97 179.92 1qkr h THR 979 N 0.27 1.11 -0.84 0.20 2.02 -0.83 -1.05 112.91 113.77 1qkr h THR 979 Ca 0.08 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1qkr h THR 979 Cb 0.10 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 1qkr h THR 979 CO -0.01 0.09 0.54 0.78 0.37 0.00 0.00 175.52 177.29 1qkr h ASN 980 N -0.03 0.99 -0.19 4.18 -0.26 -1.02 0.11 115.58 119.35 1qkr h ASN 980 Ca 0.02 -0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.70 1qkr h ASN 980 Cb 0.12 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.13 1qkr h ASN 980 CO -0.00 0.74 0.07 0.25 -1.06 0.00 0.00 177.43 177.43 1qkr h LEU 981 N 1.15 0.27 -0.93 1.61 5.85 -0.81 -1.83 115.31 120.62 1qkr h LEU 981 Ca 0.31 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1qkr h LEU 981 Cb -0.09 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 1qkr h LEU 981 CO -0.06 0.38 0.55 -0.07 -0.34 0.00 0.00 178.44 178.90 1qkr h LEU 982 N 0.14 1.14 -0.17 2.25 3.38 -0.92 -1.63 115.31 119.49 1qkr h LEU 982 Ca 0.06 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1qkr h LEU 982 Cb 0.20 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1qkr h LEU 982 CO -0.00 0.88 -0.09 -0.61 0.09 0.00 0.00 178.44 178.70 1qkr h GLN 983 N 1.29 -0.08 -0.07 1.13 4.15 -0.33 -1.31 115.11 119.89 1qkr h GLN 983 Ca 0.33 0.01 -0.20 0.00 0.77 0.00 0.00 58.65 59.56 1qkr h GLN 983 Cb -0.03 0.02 0.01 0.00 0.21 0.00 0.00 27.48 27.69 1qkr h GLN 983 CO -0.06 -0.05 -0.73 -0.24 -1.93 0.00 0.00 178.83 175.82 1qkr h VAL 984 N -0.08 1.33 -0.03 2.39 3.04 -1.16 -3.32 116.25 118.42 1qkr h VAL 984 Ca 0.10 -2.01 -0.12 0.00 -1.01 0.00 0.00 66.70 63.65 1qkr h VAL 984 Cb 0.23 2.26 -0.02 0.00 -2.01 0.00 0.00 31.29 31.76 1qkr h VAL 984 CO -0.23 0.62 -0.55 0.00 -1.01 0.00 0.00 177.57 176.40 1qkr h GLU 986 N 0.06 0.00 0.00 0.00 4.39 -1.33 -2.25 114.58 115.44 1qkr h GLU 986 Ca -0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1qkr h GLU 986 Cb 0.98 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.63 1qkr h GLU 986 CO 0.08 0.00 -0.56 0.00 -1.16 0.00 0.00 179.01 177.36 1qkr h ARG 987 N 0.00 0.00 -0.78 2.33 3.08 -1.66 -3.37 114.38 113.98 1qkr h ARG 987 Ca 0.00 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.20 1qkr h ARG 987 Cb 0.15 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.11 1qkr h ARG 987 CO 0.00 0.21 0.32 0.82 -1.07 0.00 0.00 179.97 180.26 1qkr h ILE 988 N 0.00 0.65 -0.35 2.04 2.04 -1.54 -2.34 117.51 118.01 1qkr h ILE 988 Ca -0.03 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.71 1qkr h ILE 988 Cb 1.22 0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 1qkr h ILE 988 CO 0.03 0.08 0.14 -0.65 0.00 0.00 0.00 178.15 177.75 1qkr h PRO 989 N 0.46 0.29 -0.60 2.37 0.11 -1.77 0.74 132.00 133.60 1qkr h PRO 989 Ca 0.43 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.44 1qkr h PRO 989 Cb 0.66 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.69 1qkr h PRO 989 CO -0.41 0.19 0.06 1.79 -0.21 0.00 0.00 178.00 179.42 1qkr h THR 990 N 0.30 1.26 -0.53 -1.15 1.35 -1.73 -0.92 112.91 111.49 1qkr h THR 990 Ca 0.16 -1.07 -0.09 0.00 -0.55 0.00 0.00 66.41 64.86 1qkr h THR 990 Cb 0.11 0.77 -0.02 0.00 -1.73 0.00 0.00 68.15 67.28 1qkr h THR 990 CO -0.15 0.39 -0.04 0.40 -0.25 0.00 0.00 175.52 175.87 1qkr h ILE 991 N 0.93 1.26 -0.09 6.82 2.04 -1.06 -0.97 117.51 126.43 1qkr h ILE 991 Ca 0.18 -1.14 -0.11 0.00 1.00 0.00 0.00 64.86 64.78 1qkr h ILE 991 Cb 0.48 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1qkr h ILE 991 CO 0.02 0.41 -0.46 0.77 0.00 0.00 0.00 178.15 178.89 1qkr h SER 992 N 0.85 0.24 -0.33 1.72 4.64 -0.64 0.10 113.55 120.13 1qkr h SER 992 Ca 0.15 -0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.30 1qkr h SER 992 Cb 0.56 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1qkr h SER 992 CO 0.03 0.67 -0.02 0.74 -0.87 0.00 0.00 176.83 177.38 1qkr h THR 993 N 0.19 1.26 -0.13 2.95 2.02 -0.78 -1.65 112.91 116.78 1qkr h THR 993 Ca 0.01 -1.01 -0.04 0.00 0.77 0.00 0.00 66.41 66.15 1qkr h THR 993 Cb 0.88 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 1qkr h THR 993 CO 0.07 0.33 -0.11 1.56 0.37 0.00 0.00 175.52 177.74 1qkr h GLN 994 N 0.39 0.19 -0.45 6.66 4.20 -0.90 -1.84 115.11 123.36 1qkr h GLN 994 Ca 0.09 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 1qkr h GLN 994 Cb 0.48 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 1qkr h GLN 994 CO 0.02 0.31 0.03 1.25 -0.67 0.00 0.00 178.83 179.77 1qkr h LEU 995 N 0.19 0.76 -0.96 1.46 5.85 -0.49 -0.34 115.31 121.78 1qkr h LEU 995 Ca 0.04 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 1qkr h LEU 995 Cb 0.31 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1qkr h LEU 995 CO 0.02 0.86 0.59 0.11 -0.34 0.00 0.00 178.44 179.68 1qkr h LYS 996 N 0.63 1.29 0.02 1.25 1.57 -0.65 0.47 116.57 121.14 1qkr h LYS 996 Ca 0.13 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1qkr h LYS 996 Cb 0.46 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1qkr h LYS 996 CO 0.02 0.89 -0.01 0.82 -0.57 0.00 0.00 179.45 180.59 1qkr h ILE 997 N 1.31 1.19 -0.08 1.86 2.04 -0.97 -2.31 117.51 120.56 1qkr h ILE 997 Ca 0.34 -0.66 -0.08 0.00 1.00 0.00 0.00 64.86 65.47 1qkr h ILE 997 Cb -0.08 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1qkr h ILE 997 CO -0.07 0.17 -0.31 -0.07 0.00 0.00 0.00 178.15 177.87 1qkr h LEU 998 N -0.31 0.15 -0.74 1.44 3.38 -0.86 -2.17 115.31 116.20 1qkr h LEU 998 Ca -0.00 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1qkr h LEU 998 Cb 0.30 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1qkr h LEU 998 CO 0.00 0.47 -0.08 0.28 0.09 0.00 0.00 178.44 179.20 1qkr h SER 999 N 0.14 0.87 -0.53 -0.43 0.02 -0.87 -1.74 113.55 111.00 1qkr h SER 999 Ca 0.02 -0.26 -0.05 0.00 -0.84 0.00 0.00 61.79 60.66 1qkr h SER 999 Cb 0.62 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 1qkr h SER 999 CO 0.05 0.97 0.14 0.74 -1.14 0.00 0.00 176.83 177.59 1qkr h THR 1000N 0.80 1.24 0.36 -2.27 2.02 -0.98 0.36 112.91 114.44 1qkr h THR 1000Ca 0.14 -0.83 -0.02 0.00 0.77 0.00 0.00 66.41 66.47 1qkr h THR 1000Cb 0.58 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1qkr h THR 1000CO 0.04 0.31 -0.17 0.58 0.37 0.00 0.00 175.52 176.64 1qkr h VAL 1001N 0.73 0.65 -0.71 3.16 2.07 -1.14 -2.05 116.25 118.97 1qkr h VAL 1001Ca 0.17 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.66 1qkr h VAL 1001Cb 0.31 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1qkr h VAL 1001CO -0.00 0.01 0.42 0.50 0.02 0.00 0.00 177.57 178.52 1qkr h LYS 1002N -0.49 0.96 -0.40 1.57 1.63 -1.26 -2.92 116.57 115.66 1qkr h LYS 1002Ca -0.05 -0.08 0.02 0.00 -0.85 0.00 0.00 60.65 59.69 1qkr h LYS 1002Cb 0.38 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 31.78 1qkr h LYS 1002CO 0.08 0.68 0.23 0.00 -3.45 0.00 0.00 179.45 176.99 1qkr h ALA 1003N 1.49 0.50 0.00 5.00 0.00 -0.61 -1.46 119.26 124.18 1qkr h ALA 1003Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1qkr h ALA 1003Cb -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1qkr h ALA 1003CO -0.05 -0.11 0.00 0.25 0.00 0.00 0.00 179.25 179.34 1qkr n THR 1004N -4.87 1.04 -1.77 0.00 -2.24 -0.80 -4.62 114.28 101.02 1qkr n THR 1004Ca 0.01 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1qkr n THR 1004Cb 0.07 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 1qkr n THR 1004CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1qkr n LEU 1006N 1.42 -3.57 0.00 3.22 4.77 -0.55 -4.89 117.00 117.40 1qkr n LEU 1006Ca 0.00 2.31 0.00 0.00 -0.03 0.00 0.00 56.01 58.29 1qkr n LEU 1006Cb 0.30 -2.48 0.00 0.00 -2.33 0.00 0.00 43.42 38.91 1qkr n LEU 1006CO 0.00 -0.57 0.00 0.61 -1.33 0.00 0.00 177.39 176.10 1qkr n GLY 1007N 0.83 2.88 3.50 -0.72 0.00 -1.26 -3.02 105.19 107.40 1qkr n GLY 1007Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1qkr n GLY 1007CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qkr s ARG 1008N -0.09 3.53 0.00 1.61 0.52 -1.26 -4.83 118.95 118.44 1qkr s ARG 1008Ca 0.00 -1.33 0.00 0.00 -0.52 0.00 0.00 55.73 53.88 1qkr s ARG 1008Cb 0.00 -5.01 0.00 0.00 0.52 0.00 0.00 34.95 30.46 1qkr s ARG 1008CO 0.00 -1.98 0.44 0.25 0.02 0.00 0.00 175.30 174.02 1qkr n THR 1009N 6.18 0.00 -0.51 0.02 -2.24 -1.26 -2.40 114.28 114.07 1qkr n THR 1009Ca 0.24 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.12 1qkr n THR 1009Cb 0.50 -0.26 0.32 0.00 -2.10 0.00 0.00 70.33 68.79 1qkr n THR 1009CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1qkr n ASN 1010N -0.39 4.28 -4.81 3.42 4.05 -1.26 -4.95 115.26 115.59 1qkr n ASN 1010Ca 0.00 -2.27 -0.34 0.00 0.45 0.00 0.00 54.58 52.43 1qkr n ASN 1010Cb 0.02 -0.51 -0.07 0.00 1.23 0.00 0.00 39.78 40.45 1qkr n ASN 1010CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 1qkr s ILE 1011N -1.50 4.95 0.32 -1.44 1.10 -1.01 -5.07 121.20 118.55 1qkr s ILE 1011Ca 0.47 -0.27 -0.29 0.00 -0.51 0.00 0.00 60.65 60.05 1qkr s ILE 1011Cb 0.28 -3.25 -0.12 0.00 0.15 0.00 0.00 42.46 39.52 1qkr s ILE 1011CO 0.26 0.39 1.38 -0.24 -2.11 0.00 0.00 174.94 174.62 1qkr n SER 1012N 1.28 3.07 -0.25 4.50 2.88 -1.26 -4.85 113.62 118.98 1qkr n SER 1012Ca -0.14 1.19 -0.03 0.00 -1.33 0.00 0.00 58.87 58.57 1qkr n SER 1012Cb 0.53 -1.51 0.16 0.00 -0.75 0.00 0.00 64.21 62.63 1qkr n SER 1012CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1qkr h ASP 1013N 3.18 0.97 -0.47 -3.46 3.32 -1.98 -0.42 116.42 117.55 1qkr h ASP 1013Ca -0.47 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 56.43 1qkr h ASP 1013Cb 1.27 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 1qkr h ASP 1013CO 0.67 0.80 0.06 -0.33 -1.72 0.00 0.00 179.24 178.73 1qkr h GLU 1014N 1.07 0.79 -0.45 3.56 3.07 -1.99 0.01 114.58 120.64 1qkr h GLU 1014Ca 0.27 -0.22 -0.10 0.00 -0.50 0.00 0.00 59.36 58.80 1qkr h GLU 1014Cb 0.07 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 1qkr h GLU 1014CO -0.04 0.81 -0.12 0.93 -1.40 0.00 0.00 179.01 179.18 1qkr h GLU 1015N 0.65 0.88 -0.36 2.33 5.08 -1.83 -1.22 114.58 120.12 1qkr h GLU 1015Ca 0.14 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 1qkr h GLU 1015Cb 0.41 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1qkr h GLU 1015CO 0.01 0.99 0.08 0.77 -1.00 0.00 0.00 179.01 179.87 1qkr h SER 1016N 0.72 0.54 -0.60 1.42 0.02 -0.99 -1.54 113.55 113.13 1qkr h SER 1016Ca 0.11 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.79 1qkr h SER 1016Cb 0.67 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 1qkr h SER 1016CO 0.05 0.64 0.24 -0.08 -1.14 0.00 0.00 176.83 176.53 1qkr h GLU 1017N 0.43 0.90 -0.15 3.45 4.57 -0.91 -1.92 114.58 120.95 1qkr h GLU 1017Ca 0.11 -0.16 -0.11 0.00 -1.18 0.00 0.00 59.36 58.01 1qkr h GLU 1017Cb 0.31 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1qkr h GLU 1017CO 0.00 0.77 -0.41 1.96 -1.18 0.00 0.00 179.01 180.15 1qkr h GLN 1018N 0.83 0.33 -0.59 1.92 1.08 -1.15 0.47 115.11 118.00 1qkr h GLN 1018Ca 0.20 -0.16 -0.08 0.00 -1.45 0.00 0.00 58.65 57.16 1qkr h GLN 1018Cb 0.21 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 1qkr h GLN 1018CO -0.02 0.69 0.06 0.00 -0.95 0.00 0.00 178.83 178.61 1qkr h ALA 1019N 1.30 0.79 -0.42 3.87 0.00 -1.11 -2.82 119.26 120.87 1qkr h ALA 1019Ca 0.03 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1qkr h ALA 1019Cb 0.84 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1qkr h ALA 1019CO 0.07 0.57 0.10 1.15 0.00 0.00 0.00 179.25 181.14 1qkr h THR 1020N 0.90 1.23 0.00 0.00 2.02 -0.90 -2.01 112.91 114.15 1qkr h THR 1020Ca 0.18 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1qkr h THR 1020Cb 0.47 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1qkr h THR 1020CO 0.02 0.28 0.00 -0.62 0.37 0.00 0.00 175.52 175.57 1qkr n GLU 1021N -4.54 0.04 0.00 6.66 -0.58 0.12 -0.93 120.64 121.41 1qkr n GLU 1021Ca -0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1qkr n GLU 1021Cb 0.21 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 1qkr n GLU 1021CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1qkr n LEU 1023N 0.71 0.00 -0.07 -4.62 7.94 -0.76 -1.04 117.00 119.16 1qkr n LEU 1023Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.81 1qkr n LEU 1023Cb 0.02 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.94 1qkr n LEU 1023CO 0.00 0.00 0.98 0.58 -1.11 0.00 0.00 177.39 177.84 1qkr h VAL 1024N 0.00 1.07 -0.57 1.96 2.07 -1.29 -0.11 116.25 119.38 1qkr h VAL 1024Ca 0.00 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.43 1qkr h VAL 1024Cb 0.00 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 1qkr h VAL 1024CO 0.00 0.07 0.33 -0.74 0.02 0.00 0.00 177.57 177.25 1qkr h HIS 1025N 0.36 0.62 -0.60 1.57 -0.00 -1.34 -0.61 115.15 115.15 1qkr h HIS 1025Ca 0.10 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.41 1qkr h HIS 1025Cb -0.04 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.15 1qkr h HIS 1025CO -0.06 0.34 0.06 -0.97 -0.00 0.00 0.00 177.93 177.30 1qkr h ASN 1026N 0.66 0.98 -0.62 3.26 -0.73 -1.74 -1.24 115.58 116.14 1qkr h ASN 1026Ca 0.23 -0.28 -0.01 0.00 1.87 0.00 0.00 56.30 58.11 1qkr h ASN 1026Cb 0.05 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 38.35 1qkr h ASN 1026CO -0.12 1.02 0.34 0.00 -0.37 0.00 0.00 177.43 178.30 1qkr h ALA 1027N 1.00 0.80 -0.57 1.57 0.00 -0.60 -0.28 119.26 121.19 1qkr h ALA 1027Ca 0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1qkr h ALA 1027Cb 0.48 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1qkr h ALA 1027CO 0.02 0.32 0.26 1.96 0.00 0.00 0.00 179.25 181.81 1qkr h GLN 1028N 0.85 0.82 -0.43 0.00 4.20 -0.90 -2.83 115.11 116.81 1qkr h GLN 1028Ca 0.22 -0.13 -0.09 0.00 0.06 0.00 0.00 58.65 58.71 1qkr h GLN 1028Cb 0.05 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 1qkr h GLN 1028CO -0.03 0.68 -0.10 -0.91 -0.67 0.00 0.00 178.83 177.80 1qkr h ASN 1029N 0.77 0.75 0.00 1.46 4.21 -0.88 -1.09 115.58 120.80 1qkr h ASN 1029Ca 0.19 -0.22 0.00 0.00 1.21 0.00 0.00 56.30 57.49 1qkr h ASN 1029Cb 0.14 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.13 1qkr h ASN 1029CO -0.02 0.88 0.00 -0.11 -1.29 0.00 0.00 177.43 176.89 1qkr n LEU 1030N -4.17 0.61 0.00 1.61 7.94 -0.15 -1.36 117.00 121.47 1qkr n LEU 1030Ca 0.01 -0.30 0.00 0.00 -1.11 0.00 0.00 56.01 54.61 1qkr n LEU 1030Cb 0.35 -0.19 0.00 0.00 0.53 0.00 0.00 43.42 44.11 1qkr n LEU 1030CO 0.43 0.12 0.00 0.00 -1.11 0.00 0.00 177.39 176.83 1qkr n GLN 1032N 0.45 0.00 -0.15 1.96 6.02 -0.41 -1.24 117.38 124.00 1qkr n GLN 1032Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 1qkr n GLN 1032Cb 0.12 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.38 1qkr n GLN 1032CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1qkr h SER 1033N 0.00 0.98 -0.43 1.08 0.02 -1.46 -1.38 113.55 112.35 1qkr h SER 1033Ca 0.00 -0.40 -0.14 0.00 -0.84 0.00 0.00 61.79 60.41 1qkr h SER 1033Cb 0.00 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 1qkr h SER 1033CO 0.00 1.17 -0.27 0.58 -1.14 0.00 0.00 176.83 177.16 1qkr h VAL 1034N 0.79 1.27 -0.56 2.27 2.07 -1.43 -1.11 116.25 119.55 1qkr h VAL 1034Ca 0.10 -1.44 0.03 0.00 0.82 0.00 0.00 66.70 66.21 1qkr h VAL 1034Cb 0.80 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 1qkr h VAL 1034CO 0.07 0.49 0.34 0.50 0.02 0.00 0.00 177.57 178.99 1qkr h LYS 1035N 0.79 0.65 -0.16 1.57 3.64 -1.77 -0.39 116.57 120.90 1qkr h LYS 1035Ca 0.09 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.32 1qkr h LYS 1035Cb 0.86 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1qkr h LYS 1035CO 0.08 0.43 -0.40 1.49 -2.27 0.00 0.00 179.45 178.78 1qkr h GLU 1036N 0.67 0.36 -0.58 1.90 4.57 -1.14 -2.43 114.58 117.93 1qkr h GLU 1036Ca 0.23 -0.17 -0.08 0.00 -1.18 0.00 0.00 59.36 58.15 1qkr h GLU 1036Cb 0.02 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 1qkr h GLU 1036CO -0.10 0.70 0.04 1.15 -1.18 0.00 0.00 179.01 179.62 1qkr h THR 1037N 0.30 1.26 -0.07 0.32 2.02 -0.46 -0.41 112.91 115.87 1qkr h THR 1037Ca 0.03 -1.08 -0.00 0.00 0.77 0.00 0.00 66.41 66.13 1qkr h THR 1037Cb 0.83 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1qkr h THR 1037CO 0.07 0.39 0.04 0.58 0.37 0.00 0.00 175.52 176.96 1qkr h VAL 1038N 0.88 1.08 -0.31 3.16 2.07 -0.93 0.18 116.25 122.39 1qkr h VAL 1038Ca 0.17 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.50 1qkr h VAL 1038Cb 0.50 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1qkr h VAL 1038CO 0.02 0.07 0.12 0.03 0.02 0.00 0.00 177.57 177.83 1qkr h ARG 1039N 0.02 0.25 -0.10 1.57 3.08 -1.22 -1.43 114.38 116.55 1qkr h ARG 1039Ca 0.02 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 1qkr h ARG 1039Cb 0.08 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1qkr h ARG 1039CO -0.00 0.17 -0.49 0.93 -1.07 0.00 0.00 179.97 179.50 1qkr h GLU 1040N 0.26 0.25 -0.54 0.04 5.08 -1.00 -2.74 114.58 115.93 1qkr h GLU 1040Ca 0.14 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1qkr h GLU 1040Cb 0.10 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1qkr h GLU 1040CO -0.14 0.69 -0.04 0.00 -1.00 0.00 0.00 179.01 178.52 1qkr h ALA 1041N 1.29 0.92 -0.26 3.43 0.00 -0.59 -0.52 119.26 123.55 1qkr h ALA 1041Ca 0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1qkr h ALA 1041Cb 0.94 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1qkr h ALA 1041CO 0.08 0.64 0.08 1.49 0.00 0.00 0.00 179.25 181.54 1qkr h GLU 1042N 0.86 0.40 -0.30 0.00 4.22 -1.10 -0.81 114.58 117.85 1qkr h GLU 1042Ca 0.15 -0.08 -0.10 0.00 0.08 0.00 0.00 59.36 59.41 1qkr h GLU 1042Cb 0.56 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1qkr h GLU 1042CO 0.03 0.47 -0.21 0.00 -2.18 0.00 0.00 179.01 177.11 1qkr h ALA 1043N 0.92 1.07 0.00 2.92 0.00 -1.38 -2.67 119.26 120.12 1qkr h ALA 1043Ca 0.08 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1qkr h ALA 1043Cb 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1qkr h ALA 1043CO -0.00 0.57 -0.37 0.00 0.00 0.00 0.00 179.25 179.45 1qkr h ALA 1044N 1.27 1.36 0.00 0.00 0.00 -0.80 -2.73 119.26 118.35 1qkr h ALA 1044Ca 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1qkr h ALA 1044Cb 0.65 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1qkr h ALA 1044CO 0.05 0.46 0.00 0.43 0.00 0.00 0.00 179.25 180.18 1qkr n SER 1045N -4.05 0.23 0.04 0.00 7.64 -0.33 -2.07 113.62 115.08 1qkr n SER 1045Ca -0.02 0.56 0.01 0.00 1.01 0.00 0.00 58.87 60.43 1qkr n SER 1045Cb 0.41 -0.61 -0.07 0.00 -1.01 0.00 0.00 64.21 62.93 1qkr n SER 1045CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1qkr h ILE 1046N 0.00 0.47 -1.60 0.44 2.04 -1.56 -3.40 117.51 113.91 1qkr h ILE 1046Ca 0.00 -1.92 -0.76 0.00 1.00 0.00 0.00 64.86 63.18 1qkr h ILE 1046Cb 0.27 2.01 -0.17 0.00 -0.74 0.00 0.00 36.82 38.19 1qkr h ILE 1046CO 0.00 0.27 1.87 0.29 0.00 0.00 0.00 178.15 180.58 1qkr n LYS 1047N -2.89 3.89 -4.30 2.37 5.02 -0.88 -4.92 118.16 116.44 1qkr n LYS 1047Ca -0.08 -3.69 -0.16 0.00 -2.02 0.00 0.00 58.31 52.36 1qkr n LYS 1047Cb 0.81 -2.82 -0.10 0.00 -0.02 0.00 0.00 35.03 32.89 1qkr n LYS 1047CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1qkr s ILE 1048N -0.35 1.19 -1.11 -0.18 -4.36 -1.26 -1.24 121.20 113.89 1qkr s ILE 1048Ca 0.40 -2.07 0.16 0.00 -0.26 0.00 0.00 60.65 58.88 1qkr s ILE 1048Cb 0.10 -2.10 0.54 0.00 1.25 0.00 0.00 42.46 42.25 1qkr s ILE 1048CO 0.01 -0.54 1.45 -2.11 0.24 0.00 0.00 174.94 173.99 1qkr n ARG 1049N -0.32 3.12 -4.71 0.37 1.85 -1.26 -4.96 116.66 110.75 1qkr n ARG 1049Ca -0.08 -2.55 -0.31 0.00 -1.00 0.00 0.00 57.85 53.91 1qkr n ARG 1049Cb 0.62 -1.60 -0.08 0.00 -1.05 0.00 0.00 32.46 30.36 1qkr n ARG 1049CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1qkr s THR 1050N -1.50 0.96 0.86 8.89 -4.23 -1.26 -5.14 115.64 114.23 1qkr s THR 1050Ca 0.40 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.79 1qkr s THR 1050Cb 0.24 -2.16 0.11 0.00 1.34 0.00 0.00 72.50 72.03 1qkr s THR 1050CO 0.21 0.00 1.16 1.51 -0.54 0.00 0.00 174.62 176.96 1qkr s ASP 1051N -3.82 3.96 0.65 3.99 1.47 -1.26 -4.93 116.67 116.73 1qkr s ASP 1051Ca 0.09 0.87 0.39 0.00 1.18 0.00 0.00 52.55 55.08 1qkr s ASP 1051Cb 0.01 -1.40 2.17 0.00 -0.34 0.00 0.00 42.92 43.36 1qkr s ASP 1051CO 0.05 -2.26 2.28 0.00 0.68 0.00 0.00 175.17 175.92 1qkr h ALA 1052N -1.30 1.21 0.00 2.11 0.00 -1.97 -2.82 119.26 116.50 1qkr h ALA 1052Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1qkr h ALA 1052Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1qkr h ALA 1052CO 0.64 -0.06 0.00 0.41 0.00 0.00 0.00 179.25 180.23 1qkr n GLY 1053N -1.17 -1.04 0.41 0.00 0.00 -1.26 -2.98 105.19 99.14 1qkr n GLY 1053Ca -0.02 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.07 1qkr n GLY 1053CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qkr n PHE 1054N -1.47 0.00 -3.97 1.61 3.01 -1.06 -4.95 117.46 110.63 1qkr n PHE 1054Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 1qkr n PHE 1054Cb 0.19 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 1qkr n PHE 1054CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1qkr n THR 1055N -0.08 0.00 -1.82 4.37 5.66 -1.16 -5.12 114.28 116.13 1qkr n THR 1055Ca 0.17 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.78 1qkr n THR 1055Cb 0.35 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.15 1qkr n THR 1055CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1qkr s LEU 1056N 0.00 4.01 -0.15 1.09 1.43 -1.26 -4.96 118.68 118.84 1qkr s LEU 1056Ca 0.00 2.83 -0.29 0.00 -1.03 0.00 0.00 54.13 55.63 1qkr s LEU 1056Cb 0.00 -4.07 -0.00 0.00 0.03 0.00 0.00 46.19 42.14 1qkr s LEU 1056CO 0.00 -1.30 1.01 -0.60 0.23 0.00 0.00 176.35 175.69 1qkr s ARG 1057N -2.62 4.36 -0.47 1.70 3.52 -0.73 -5.00 118.95 119.70 1qkr s ARG 1057Ca 0.65 1.36 0.04 0.00 -0.13 0.00 0.00 55.73 57.65 1qkr s ARG 1057Cb -0.42 -3.58 0.12 0.00 -1.56 0.00 0.00 34.95 29.52 1qkr s ARG 1057CO 0.52 -0.43 0.20 -1.58 -0.81 0.00 0.00 175.30 173.19 1qkr s TRP 1058N 2.46 3.31 -0.09 5.12 0.52 -1.26 -4.47 118.94 124.52 1qkr s TRP 1058Ca 0.46 -3.10 0.01 0.00 0.02 0.00 0.00 56.10 53.49 1qkr s TRP 1058Cb -0.17 -2.82 0.02 0.00 -1.15 0.00 0.00 33.47 29.34 1qkr s TRP 1058CO 0.13 -0.80 -0.12 0.08 0.02 0.00 0.00 176.95 176.26 1qkr s VAL 1059N 0.07 1.21 0.33 4.03 1.01 -1.26 -5.05 120.40 120.74 1qkr s VAL 1059Ca 0.15 -0.47 -0.29 0.00 0.00 0.00 0.00 61.98 61.37 1qkr s VAL 1059Cb -0.24 -1.14 -0.11 0.00 0.00 0.00 0.00 36.38 34.89 1qkr s VAL 1059CO -0.02 0.38 1.53 -0.13 0.00 0.00 0.00 175.10 176.86 1qkr s ARG 1060N 1.06 4.13 0.00 2.72 1.81 -1.26 -1.33 118.95 126.08 1qkr s ARG 1060Ca -0.06 2.55 0.26 0.00 -1.72 0.00 0.00 55.73 56.76 1qkr s ARG 1060Cb -0.15 -3.00 0.71 0.00 -0.45 0.00 0.00 34.95 32.06 1qkr s ARG 1060CO -0.01 -0.56 1.55 1.17 -0.68 0.00 0.00 175.30 176.76