#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qkr s LYS 881 N 0.00 4.42 -0.53 5.31 2.20 -1.26 -4.97 119.74 124.91 1qkr s LYS 881 Ca 0.00 1.92 -0.26 0.00 -0.36 0.00 0.00 55.97 57.27 1qkr s LYS 881 Cb 0.00 -3.02 0.03 0.00 -1.51 0.00 0.00 37.83 33.33 1qkr s LYS 881 CO 0.00 -0.03 1.02 0.34 -0.36 0.00 0.00 175.35 176.32 1qkr s ASP 882 N -0.85 6.43 -0.24 1.43 -1.08 -1.26 -4.87 116.67 116.25 1qkr s ASP 882 Ca 0.49 -0.04 0.14 0.00 -0.52 0.00 0.00 52.55 52.61 1qkr s ASP 882 Cb -0.34 -2.48 0.59 0.00 -1.46 0.00 0.00 42.92 39.24 1qkr s ASP 882 CO 0.43 -1.25 1.54 -0.62 0.52 0.00 0.00 175.17 175.80 1qkr n GLU 883 N 7.66 3.02 -0.64 4.34 1.02 -1.26 -4.49 120.64 130.30 1qkr n GLU 883 Ca 0.05 -2.98 0.02 0.00 -0.02 0.00 0.00 57.16 54.23 1qkr n GLU 883 Cb 0.48 -1.95 0.20 0.00 -0.02 0.00 0.00 31.44 30.15 1qkr n GLU 883 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1qkr n GLU 884 N -0.48 1.75 -3.59 3.49 1.02 -1.26 -4.99 120.64 116.58 1qkr n GLU 884 Ca 0.28 -3.16 -0.11 0.00 -0.02 0.00 0.00 57.16 54.15 1qkr n GLU 884 Cb 1.05 -1.71 -0.06 0.00 -0.02 0.00 0.00 31.44 30.70 1qkr n GLU 884 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1qkr s PHE 885 N -3.19 -0.43 0.47 -0.32 5.36 -1.26 -5.04 117.98 113.57 1qkr s PHE 885 Ca 0.41 0.83 -0.22 0.00 -0.96 0.00 0.00 56.93 56.99 1qkr s PHE 885 Cb 0.38 0.42 -0.09 0.00 -0.34 0.00 0.00 43.02 43.38 1qkr s PHE 885 CO -0.02 -0.34 0.93 -2.30 -1.46 0.00 0.00 175.22 172.03 1qkr n PRO 886 N 1.17 1.13 -2.38 10.12 -0.02 -1.26 -4.91 135.00 138.85 1qkr n PRO 886 Ca -0.12 0.41 -0.40 0.00 -2.02 0.00 0.00 63.50 61.38 1qkr n PRO 886 Cb 0.57 -2.00 -0.04 0.00 -0.02 0.00 0.00 33.50 32.01 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 -2.14 4.52 0.01 -0.52 2.12 -1.26 -4.96 118.70 116.46 1qkr s GLU 887 Ca 0.66 1.90 -0.30 0.00 0.36 0.00 0.00 54.97 57.59 1qkr s GLU 887 Cb -0.52 -3.10 -0.06 0.00 0.26 0.00 0.00 34.13 30.71 1qkr s GLU 887 CO 0.55 0.07 1.36 -1.14 -0.54 0.00 0.00 175.26 175.55 1qkr s GLN 888 N -1.62 4.31 0.39 4.30 0.74 -1.26 -5.02 119.66 121.50 1qkr s GLN 888 Ca 0.47 1.93 -0.02 0.00 0.05 0.00 0.00 55.36 57.79 1qkr s GLN 888 Cb -0.33 -3.51 -0.04 0.00 1.10 0.00 0.00 33.01 30.23 1qkr s GLN 888 CO 0.43 -0.52 0.63 0.15 -0.55 0.00 0.00 175.29 175.44 1qkr s LYS 889 N 2.11 3.51 0.26 1.67 1.02 -1.26 -5.02 119.74 122.02 1qkr s LYS 889 Ca 0.63 -0.12 -0.31 0.00 0.02 0.00 0.00 55.97 56.18 1qkr s LYS 889 Cb -0.31 -2.56 -0.12 0.00 -0.52 0.00 0.00 37.83 34.32 1qkr s LYS 889 CO 0.27 0.02 1.56 0.00 -0.92 0.00 0.00 175.35 176.28 1qkr n ALA 890 N -1.92 2.10 -2.30 5.17 0.00 -1.26 -2.51 120.51 119.79 1qkr n ALA 890 Ca -0.03 0.39 -0.12 0.00 0.00 0.00 0.00 53.44 53.69 1qkr n ALA 890 Cb 0.56 -2.41 -0.00 0.00 0.00 0.00 0.00 19.45 17.60 1qkr n ALA 890 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qkr n GLY 891 N 2.49 -0.08 0.09 0.00 0.00 -1.26 -4.96 105.19 101.47 1qkr n GLY 891 Ca 0.11 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.14 0.16 -0.85 1.61 4.81 -1.85 0.13 114.58 118.45 1qkr h GLU 892 Ca -0.28 -0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.02 1qkr h GLU 892 Cb 1.20 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.51 1qkr h GLU 892 CO 0.32 0.44 0.55 0.00 -0.73 0.00 0.00 179.01 179.59 1qkr h ALA 893 N 0.72 1.81 0.12 2.92 0.00 -1.88 0.78 119.26 123.72 1qkr h ALA 893 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.58 1qkr h ALA 893 Cb 0.37 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1qkr h ALA 893 CO 0.01 -0.01 -1.99 1.51 0.00 0.00 0.00 179.25 178.76 1qkr n ILE 894 N -4.53 1.77 0.09 0.00 0.13 -1.21 -3.90 119.36 111.71 1qkr n ILE 894 Ca 0.16 -0.66 -0.18 0.00 -1.10 0.00 0.00 62.75 60.96 1qkr n ILE 894 Cb 0.41 -1.69 -0.14 0.00 -0.84 0.00 0.00 39.64 37.37 1qkr n ILE 894 CO 0.00 0.00 0.00 0.78 2.80 0.00 0.00 176.55 180.13 1qkr h ASN 895 N 0.07 0.49 -2.07 9.51 2.35 -0.47 -3.40 115.58 122.06 1qkr h ASN 895 Ca -0.42 -0.61 -0.57 0.00 -0.55 0.00 0.00 56.30 54.14 1qkr h ASN 895 Cb 2.03 -0.16 -0.40 0.00 0.05 0.00 0.00 38.32 39.84 1qkr h ASN 895 CO 0.09 1.50 -0.93 0.00 -1.65 0.00 0.00 177.43 176.44 1qkr n GLN 896 N -3.53 1.37 -1.68 0.81 6.02 0.27 -5.03 117.38 115.61 1qkr n GLN 896 Ca -0.15 -3.74 -0.47 0.00 -0.01 0.00 0.00 57.00 52.63 1qkr n GLN 896 Cb 1.05 -1.59 -0.04 0.00 1.02 0.00 0.00 30.24 30.68 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 1.19 2.31 0.00 -1.09 -0.04 -1.21 -4.59 135.00 131.57 1qkr n PRO 897 Ca 0.24 0.85 0.00 0.00 -0.04 0.00 0.00 63.50 64.55 1qkr n PRO 897 Cb 0.49 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 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 5.94 0.00 -0.22 0.55 0.00 -1.26 -4.93 120.51 120.59 1qkr n ALA 901 Ca 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.58 1qkr n ALA 901 Cb 0.31 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.80 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 0.79 -0.91 0.00 0.00 -1.92 -2.56 119.26 114.65 1qkr h ALA 902 Ca 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1qkr h ALA 902 Cb 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.49 1qkr h ALA 902 CO 0.00 0.35 0.59 -0.09 0.00 0.00 0.00 179.25 180.10 1qkr h ARG 903 N 0.84 1.11 -0.55 0.00 2.43 -1.95 -0.80 114.38 115.45 1qkr h ARG 903 Ca 0.21 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.35 1qkr h ARG 903 Cb 0.11 -0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 29.37 1qkr h ARG 903 CO -0.03 0.73 0.30 1.96 -1.51 0.00 0.00 179.97 181.43 1qkr h GLN 904 N 1.14 0.57 -0.08 0.20 7.50 -1.90 0.22 115.11 122.76 1qkr h GLN 904 Ca 0.36 -0.03 -0.01 0.00 0.50 0.00 0.00 58.65 59.47 1qkr h GLN 904 Cb 0.01 -0.13 -0.00 0.00 0.05 0.00 0.00 27.48 27.41 1qkr h GLN 904 CO -0.12 0.38 -0.01 1.25 -1.50 0.00 0.00 178.83 178.83 1qkr h LEU 905 N 0.59 0.14 -0.58 1.46 5.85 -1.22 -2.82 115.31 118.74 1qkr h LEU 905 Ca 0.24 -0.33 0.10 0.00 0.84 0.00 0.00 57.88 58.73 1qkr h LEU 905 Cb 0.10 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 1qkr h LEU 905 CO -0.14 0.44 0.15 -0.74 -0.34 0.00 0.00 178.44 177.81 1qkr h HIS 906 N -0.16 0.24 0.00 1.25 2.76 -0.83 -0.48 115.15 117.93 1qkr h HIS 906 Ca 0.02 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 1qkr h HIS 906 Cb 0.37 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.31 1qkr h HIS 906 CO 0.04 0.00 -0.04 -0.44 -1.30 0.00 0.00 177.93 176.20 1qkr h ASP 907 N 0.29 0.00 0.02 3.26 3.32 -0.49 0.22 116.42 123.05 1qkr h ASP 907 Ca 0.30 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.26 1qkr h ASP 907 Cb 0.42 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1qkr h ASP 907 CO -0.36 0.04 -0.45 -0.08 -1.72 0.00 0.00 179.24 176.66 1qkr h GLU 908 N 0.00 0.05 -0.51 3.56 4.57 -1.00 -3.37 114.58 117.88 1qkr h GLU 908 Ca -0.00 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 1qkr h GLU 908 Cb 0.08 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 1qkr h GLU 908 CO 0.00 1.04 0.22 0.00 -1.18 0.00 0.00 179.01 179.09 1qkr h ALA 909 N -0.10 1.44 0.00 2.92 0.00 -0.81 -2.57 119.26 120.14 1qkr h ALA 909 Ca -0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1qkr h ALA 909 Cb 1.19 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1qkr h ALA 909 CO -0.02 0.44 0.00 2.89 0.00 0.00 0.00 179.25 182.55 1qkr n ARG 910 N -4.36 0.07 0.20 0.00 1.85 0.76 -1.89 116.66 113.29 1qkr n ARG 910 Ca 0.04 0.39 0.06 0.00 -1.00 0.00 0.00 57.85 57.34 1qkr n ARG 910 Cb 0.14 -1.66 0.41 0.00 -1.05 0.00 0.00 32.46 30.31 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 -6.37 2.89 1.57 -1.61 -3.43 116.57 109.62 1qkr h LYS 911 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 1qkr h LYS 911 Cb 0.21 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.39 1qkr h LYS 911 CO 0.00 0.33 -0.69 -1.58 -0.57 0.00 0.00 179.45 176.94 1qkr s TRP 912 N -3.82 2.70 0.41 -1.35 0.52 -0.79 -0.68 118.94 115.94 1qkr s TRP 912 Ca -0.01 -0.20 -0.22 0.00 0.02 0.00 0.00 56.10 55.69 1qkr s TRP 912 Cb 0.12 -1.30 -0.11 0.00 -1.15 0.00 0.00 33.47 31.04 1qkr s TRP 912 CO 0.68 0.53 0.96 0.45 0.02 0.00 0.00 176.95 179.59 1qkr s SER 913 N -2.99 6.96 0.26 2.95 0.15 -0.36 -4.70 113.70 115.98 1qkr s SER 913 Ca 0.27 1.75 0.24 0.00 0.70 0.00 0.00 55.95 58.90 1qkr s SER 913 Cb -0.09 -2.55 0.31 0.00 -1.71 0.00 0.00 66.02 61.99 1qkr s SER 913 CO 0.17 -0.34 1.40 0.28 1.20 0.00 0.00 173.24 175.95 1qkr h SER 914 N 2.14 0.00 -2.51 5.45 0.02 -1.91 -3.43 113.55 113.31 1qkr h SER 914 Ca -0.49 -0.05 -0.53 0.00 -0.84 0.00 0.00 61.79 59.89 1qkr h SER 914 Cb 1.19 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.76 1qkr h SER 914 CO 0.62 0.02 1.13 -0.54 -1.14 0.00 0.00 176.83 176.92 1qkr s LYS 915 N -3.23 4.14 -1.19 3.45 1.02 -1.26 -0.88 119.74 121.79 1qkr s LYS 915 Ca 0.05 2.58 0.00 0.00 0.02 0.00 0.00 55.97 58.62 1qkr s LYS 915 Cb 0.09 -3.71 0.00 0.00 -0.52 0.00 0.00 37.83 33.70 1qkr s LYS 915 CO 0.71 -0.86 0.00 0.41 -0.92 0.00 0.00 175.35 174.69 1qkr n GLY 916 N 4.28 1.24 2.65 -3.33 0.00 -1.26 -4.70 105.19 104.06 1qkr n GLY 916 Ca 0.18 -0.46 -0.18 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.83 0.89 0.60 1.61 3.84 -0.06 -1.77 114.94 117.22 1qkr s ASN 917 Ca 0.00 -2.05 0.38 0.00 0.21 0.00 0.00 52.86 51.40 1qkr s ASN 917 Cb 0.00 0.46 1.83 0.00 -0.55 0.00 0.00 41.25 43.00 1qkr s ASN 917 CO 0.00 -0.20 2.16 0.44 -2.79 0.00 0.00 177.10 176.71 1qkr h ASP 918 N 6.32 0.00 -0.27 -4.21 3.32 -1.93 -2.19 116.42 117.46 1qkr h ASP 918 Ca 0.11 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 1qkr h ASP 918 Cb 1.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1qkr h ASP 918 CO 0.22 0.01 -0.09 0.40 -1.72 0.00 0.00 179.24 178.06 1qkr h ILE 919 N 0.00 1.29 -0.56 0.35 2.04 -1.93 0.11 117.51 118.81 1qkr h ILE 919 Ca -0.00 -1.14 -0.08 0.00 1.00 0.00 0.00 64.86 64.64 1qkr h ILE 919 Cb 0.28 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 1qkr h ILE 919 CO 0.00 0.36 0.05 0.40 0.00 0.00 0.00 178.15 178.96 1qkr h ILE 920 N 0.28 1.26 -0.32 -0.67 1.08 -1.80 -0.69 117.51 116.65 1qkr h ILE 920 Ca 0.06 -1.04 -0.00 0.00 -0.39 0.00 0.00 64.86 63.49 1qkr h ILE 920 Cb 0.58 0.84 -0.02 0.00 -3.07 0.00 0.00 36.82 35.16 1qkr h ILE 920 CO 0.03 0.37 0.18 0.00 -0.69 0.00 0.00 178.15 178.05 1qkr h ALA 921 N 0.98 0.41 -0.79 1.87 0.00 -1.30 -0.76 119.26 119.68 1qkr h ALA 921 Ca 0.16 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1qkr h ALA 921 Cb 0.47 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1qkr h ALA 921 CO 0.02 -0.07 0.33 0.00 0.00 0.00 0.00 179.25 179.53 1qkr h ALA 922 N 1.05 1.02 -0.68 0.00 0.00 -0.82 -1.82 119.26 118.02 1qkr h ALA 922 Ca 0.11 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1qkr h ALA 922 Cb 0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1qkr h ALA 922 CO -0.02 0.64 0.22 0.00 0.00 0.00 0.00 179.25 180.09 1qkr h ALA 923 N 1.17 0.89 -0.65 0.00 0.00 -0.82 -2.75 119.26 117.09 1qkr h ALA 923 Ca 0.26 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1qkr h ALA 923 Cb 0.20 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1qkr h ALA 923 CO -0.02 0.56 0.26 0.87 0.00 0.00 0.00 179.25 180.91 1qkr h LYS 924 N 0.99 0.98 -1.69 0.00 1.57 -0.84 -1.07 116.57 116.51 1qkr h LYS 924 Ca 0.22 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1qkr h LYS 924 Cb 0.28 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1qkr h LYS 924 CO -0.01 0.82 0.00 0.54 -0.57 0.00 0.00 179.45 180.24 1qkr n ARG 925 N -4.41 0.35 0.00 3.15 1.74 -0.71 -2.52 116.66 114.26 1qkr n ARG 925 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1qkr n ARG 925 Cb 0.18 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 1qkr n ARG 925 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qkr n ALA 927 N 0.93 0.00 0.11 7.54 0.00 -0.41 -1.36 120.51 127.32 1qkr n ALA 927 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1qkr n ALA 927 Cb 0.17 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.87 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 0.21 -1.81 0.00 3.38 -1.77 -1.44 115.31 113.88 1qkr h LEU 928 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1qkr h LEU 928 Cb 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1qkr h LEU 928 CO 0.00 0.59 0.00 0.18 0.09 0.00 0.00 178.44 179.30 1qkr n LEU 929 N -4.04 1.36 0.00 1.67 4.77 -0.46 -1.82 117.00 118.47 1qkr n LEU 929 Ca -0.01 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 1qkr n LEU 929 Cb 0.46 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1qkr n LEU 929 CO 0.41 0.23 0.00 0.00 -1.33 0.00 0.00 177.39 176.71 1qkr n ALA 931 N 0.65 0.00 0.15 -1.18 0.00 -0.54 -4.70 120.51 114.89 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 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 0.17 0.00 0.00 2.13 -0.76 -2.45 120.64 119.73 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 -1.42 0.00 0.00 0.27 0.00 0.00 31.44 30.29 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 0.98 0.00 -0.15 4.31 2.88 -1.26 -0.83 113.62 119.55 1qkr n SER 934 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1qkr n SER 934 Cb 0.08 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.54 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 0.99 -0.71 -1.46 2.43 -1.89 -3.08 114.38 110.65 1qkr h ARG 935 Ca 0.00 -0.44 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 1qkr h ARG 935 Cb 0.00 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1qkr h ARG 935 CO 0.00 1.12 0.39 -0.07 -1.51 0.00 0.00 179.97 179.90 1qkr h LEU 936 N 0.84 0.90 -1.53 3.80 3.38 -1.27 -1.64 115.31 119.79 1qkr h LEU 936 Ca 0.10 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1qkr h LEU 936 Cb 0.84 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1qkr h LEU 936 CO 0.07 0.74 -0.14 0.58 0.09 0.00 0.00 178.44 179.78 1qkr h VAL 937 N 0.98 1.15 -0.00 1.22 2.07 -1.81 -1.75 116.25 118.11 1qkr h VAL 937 Ca 0.25 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1qkr h VAL 937 Cb 0.04 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1qkr h VAL 937 CO -0.04 0.20 -0.33 0.54 0.02 0.00 0.00 177.57 177.97 1qkr n ARG 938 N -4.31 0.08 0.05 1.57 5.12 -0.96 -3.92 116.66 114.30 1qkr n ARG 938 Ca -0.01 -0.04 0.13 0.00 -1.93 0.00 0.00 57.85 55.99 1qkr n ARG 938 Cb 0.25 -1.50 0.49 0.00 -1.16 0.00 0.00 32.46 30.54 1qkr n ARG 938 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1qkr n GLY 939 N 1.48 -1.48 7.00 -0.13 0.00 -0.66 -4.99 105.19 106.41 1qkr n GLY 939 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 1.06 3.22 3.67 -0.02 0.00 -1.25 -4.77 105.19 107.10 1qkr n GLY 940 Ca 0.05 -0.26 -0.44 0.00 0.00 0.00 0.00 46.02 45.37 1qkr n GLY 940 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qkr n SER 941 N 2.40 2.60 0.00 1.61 3.41 -1.26 -2.91 113.62 119.47 1qkr n SER 941 Ca 0.00 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.77 1qkr n SER 941 Cb 0.00 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 62.53 1qkr n SER 941 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qkr n GLY 942 N 1.76 0.36 1.02 5.00 0.00 -1.26 -4.95 105.19 107.12 1qkr n GLY 942 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 3.75 0.25 1.61 3.02 -1.15 -4.72 115.26 118.03 1qkr n ASN 943 Ca 0.00 -2.36 -0.17 0.00 -0.03 0.00 0.00 54.58 52.02 1qkr n ASN 943 Cb 0.00 -0.42 -0.09 0.00 -0.61 0.00 0.00 39.78 38.66 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 2.74 -0.86 -0.44 3.52 3.64 -1.82 0.10 116.57 123.45 1qkr h LYS 944 Ca 0.00 0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 1qkr h LYS 944 Cb 1.12 0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 33.11 1qkr h LYS 944 CO 0.12 -0.57 -0.09 0.00 -2.27 0.00 0.00 179.45 176.64 1qkr h ARG 945 N -0.89 0.78 -0.79 1.90 3.08 -1.92 -2.43 114.38 114.12 1qkr h ARG 945 Ca -0.04 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 59.72 1qkr h ARG 945 Cb 0.79 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.74 1qkr h ARG 945 CO -0.09 0.85 0.32 0.00 -1.07 0.00 0.00 179.97 179.98 1qkr h ALA 946 N 1.19 1.03 -0.36 0.04 0.00 -1.83 0.39 119.26 119.71 1qkr h ALA 946 Ca 0.12 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1qkr h ALA 946 Cb 0.56 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1qkr h ALA 946 CO 0.03 0.64 0.01 1.25 0.00 0.00 0.00 179.25 181.18 1qkr h LEU 947 N 1.14 0.62 -0.66 0.00 5.85 -0.76 0.74 115.31 122.24 1qkr h LEU 947 Ca 0.26 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 1qkr h LEU 947 Cb 0.20 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1qkr h LEU 947 CO -0.02 0.77 0.21 0.40 -0.34 0.00 0.00 178.44 179.46 1qkr h ILE 948 N 0.45 1.25 -0.60 4.05 2.04 -1.14 -1.97 117.51 121.59 1qkr h ILE 948 Ca 0.10 -0.85 -0.09 0.00 1.00 0.00 0.00 64.86 65.03 1qkr h ILE 948 Cb 0.45 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1qkr h ILE 948 CO 0.02 0.33 0.02 -0.61 0.00 0.00 0.00 178.15 177.91 1qkr h GLN 949 N 0.95 1.04 -0.68 2.37 5.75 -0.72 -2.25 115.11 121.57 1qkr h GLN 949 Ca 0.21 -0.32 0.00 0.00 -0.15 0.00 0.00 58.65 58.40 1qkr h GLN 949 Cb 0.29 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.70 1qkr h GLN 949 CO -0.01 1.01 0.44 0.00 -2.65 0.00 0.00 178.83 177.63 1qkr h ALA 951 N 1.24 0.91 -0.63 0.00 0.00 -1.17 -0.55 119.26 119.05 1qkr h ALA 951 Ca 0.25 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1qkr h ALA 951 Cb -0.09 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 1qkr h ALA 951 CO -0.05 0.49 0.12 0.87 0.00 0.00 0.00 179.25 180.68 1qkr h LYS 952 N 0.99 1.03 -0.40 0.00 1.57 -0.86 -1.31 116.57 117.59 1qkr h LYS 952 Ca 0.24 -0.26 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 1qkr h LYS 952 Cb 0.16 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1qkr h LYS 952 CO -0.03 0.94 -0.16 -0.44 -0.57 0.00 0.00 179.45 179.19 1qkr h ASP 953 N 0.97 0.75 -0.60 0.86 3.32 -0.56 -1.24 116.42 119.91 1qkr h ASP 953 Ca 0.20 -0.24 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1qkr h ASP 953 Cb 0.40 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1qkr h ASP 953 CO 0.01 0.92 0.06 0.40 -1.72 0.00 0.00 179.24 178.91 1qkr h ILE 954 N 0.67 1.26 -0.42 0.35 2.04 -0.83 -2.09 117.51 118.49 1qkr h ILE 954 Ca 0.11 -1.05 -0.07 0.00 1.00 0.00 0.00 64.86 64.85 1qkr h ILE 954 Cb 0.65 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1qkr h ILE 954 CO 0.05 0.39 -0.01 0.00 0.00 0.00 0.00 178.15 178.57 1qkr h ALA 955 N 1.00 1.19 -0.60 1.87 0.00 -0.92 -0.31 119.26 121.49 1qkr h ALA 955 Ca 0.18 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1qkr h ALA 955 Cb 0.47 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1qkr h ALA 955 CO 0.02 0.53 0.04 0.87 0.00 0.00 0.00 179.25 180.71 1qkr h LYS 956 N 0.65 1.03 -0.35 0.00 1.79 -0.89 -0.49 116.57 118.31 1qkr h LYS 956 Ca 0.13 -0.31 -0.12 0.00 -2.18 0.00 0.00 60.65 58.17 1qkr h LYS 956 Cb 0.42 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1qkr h LYS 956 CO 0.02 1.00 -0.28 0.00 -1.08 0.00 0.00 179.45 179.10 1qkr h ALA 957 N 1.00 0.84 0.00 3.86 0.00 -1.05 -2.53 119.26 121.37 1qkr h ALA 957 Ca 0.17 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1qkr h ALA 957 Cb 0.51 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1qkr h ALA 957 CO 0.02 0.64 -0.39 0.66 0.00 0.00 0.00 179.25 180.18 1qkr h SER 958 N 0.63 0.00 -0.33 0.00 4.64 -0.65 -1.98 113.55 115.86 1qkr h SER 958 Ca 0.08 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.28 1qkr h SER 958 Cb 0.80 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1qkr h SER 958 CO 0.07 0.39 -0.22 0.44 -0.87 0.00 0.00 176.83 176.64 1qkr h ASP 959 N 0.00 0.84 -0.34 4.97 3.32 -0.69 -0.74 116.42 123.78 1qkr h ASP 959 Ca -0.00 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 56.72 1qkr h ASP 959 Cb 0.73 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1qkr h ASP 959 CO 0.05 1.03 0.12 -0.33 -1.72 0.00 0.00 179.24 178.39 1qkr h GLU 960 N 0.72 0.52 -0.55 3.56 5.08 -1.07 -0.60 114.58 122.23 1qkr h GLU 960 Ca 0.10 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1qkr h GLU 960 Cb 0.75 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 1qkr h GLU 960 CO 0.06 0.53 0.34 0.28 -1.00 0.00 0.00 179.01 179.23 1qkr h VAL 961 N 0.39 1.16 -0.18 3.13 2.07 -1.17 -1.14 116.25 120.51 1qkr h VAL 961 Ca 0.11 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1qkr h VAL 961 Cb 0.22 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1qkr h VAL 961 CO -0.01 0.16 0.11 0.74 0.02 0.00 0.00 177.57 178.59 1qkr h THR 962 N 0.74 1.08 -0.31 2.57 2.02 -0.86 -0.50 112.91 117.64 1qkr h THR 962 Ca 0.20 -0.19 0.04 0.00 0.77 0.00 0.00 66.41 67.23 1qkr h THR 962 Cb -0.04 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 1qkr h THR 962 CO -0.04 0.07 0.07 -0.09 0.37 0.00 0.00 175.52 175.91 1qkr h ARG 963 N 0.21 0.19 -0.54 6.66 2.43 -0.91 -1.47 114.38 120.95 1qkr h ARG 963 Ca 0.06 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 1qkr h ARG 963 Cb 0.03 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1qkr h ARG 963 CO -0.01 0.12 0.00 -0.07 -1.51 0.00 0.00 179.97 178.50 1qkr h LEU 964 N 0.19 0.93 -1.32 3.80 4.07 -1.06 -2.46 115.31 119.47 1qkr h LEU 964 Ca 0.14 -0.30 -0.01 0.00 0.08 0.00 0.00 57.88 57.79 1qkr h LEU 964 Cb 0.14 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.61 1qkr h LEU 964 CO -0.18 1.01 0.34 0.00 -1.08 0.00 0.00 178.44 178.53 1qkr h ALA 965 N 0.95 1.49 -0.35 1.53 0.00 -0.71 -1.40 119.26 120.77 1qkr h ALA 965 Ca 0.15 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1qkr h ALA 965 Cb 0.53 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1qkr h ALA 965 CO 0.03 0.44 -0.28 0.87 0.00 0.00 0.00 179.25 180.31 1qkr h LYS 966 N 0.82 0.74 -0.30 0.00 1.57 -1.02 -1.85 116.57 116.53 1qkr h LYS 966 Ca 0.21 -0.32 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 1qkr h LYS 966 Cb -0.01 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1qkr h LYS 966 CO -0.04 0.93 -0.10 0.93 -0.57 0.00 0.00 179.45 180.60 1qkr h GLU 967 N 0.63 0.50 -0.27 3.15 4.39 -0.85 -1.92 114.58 120.22 1qkr h GLU 967 Ca 0.08 -0.14 -0.14 0.00 0.34 0.00 0.00 59.36 59.50 1qkr h GLU 967 Cb 0.79 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1qkr h GLU 967 CO 0.07 0.61 -0.39 0.28 -1.16 0.00 0.00 179.01 178.41 1qkr h VAL 968 N 0.47 1.30 -0.99 3.13 2.07 -1.03 -3.14 116.25 118.07 1qkr h VAL 968 Ca 0.09 -1.59 0.01 0.00 0.82 0.00 0.00 66.70 66.04 1qkr h VAL 968 Cb 0.46 1.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.86 1qkr h VAL 968 CO 0.03 0.51 0.66 0.00 0.02 0.00 0.00 177.57 178.78 1qkr h ALA 969 N 0.67 1.30 -0.71 1.67 0.00 -1.07 -2.10 119.26 119.02 1qkr h ALA 969 Ca 0.03 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 54.99 1qkr h ALA 969 Cb 0.99 -0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1qkr h ALA 969 CO 0.09 0.64 0.47 0.87 0.00 0.00 0.00 179.25 181.33 1qkr h LYS 970 N 1.33 0.45 -0.01 0.00 1.79 -1.30 -1.09 116.57 117.75 1qkr h LYS 970 Ca 0.37 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 1qkr h LYS 970 Cb -0.14 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.41 1qkr h LYS 970 CO -0.08 0.30 -0.36 1.04 -1.08 0.00 0.00 179.45 179.27 1qkr n GLN 971 N -4.48 0.70 -2.68 3.15 1.13 -0.82 -4.87 117.38 109.51 1qkr n GLN 971 Ca 0.13 -0.44 -0.43 0.00 -1.94 0.00 0.00 57.00 54.31 1qkr n GLN 971 Cb 0.44 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 29.27 1qkr n GLN 971 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1qkr n THR 973 N 6.12 0.60 -2.96 0.00 -2.24 -1.26 -4.62 114.28 109.92 1qkr n THR 973 Ca 0.11 0.04 -0.43 0.00 -2.27 0.00 0.00 64.05 61.50 1qkr n THR 973 Cb 0.48 -0.80 -0.05 0.00 -2.10 0.00 0.00 70.33 67.85 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 -3.71 6.30 0.23 3.42 2.15 -1.26 -4.93 116.67 118.88 1qkr s ASP 974 Ca 0.09 -0.55 -0.08 0.00 0.43 0.00 0.00 52.55 52.44 1qkr s ASP 974 Cb 0.13 -2.38 0.39 0.00 -0.30 0.00 0.00 42.92 40.75 1qkr s ASP 974 CO 0.45 -1.09 1.65 0.11 -0.17 0.00 0.00 175.17 176.12 1qkr h LYS 975 N 9.18 0.13 0.73 4.34 1.57 -1.98 0.19 116.57 130.73 1qkr h LYS 975 Ca -0.27 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.48 1qkr h LYS 975 Cb 1.08 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1qkr h LYS 975 CO 1.04 0.09 -0.50 -0.09 -0.57 0.00 0.00 179.45 179.41 1qkr h ARG 976 N 0.13 -1.13 -0.48 3.15 9.65 -1.97 0.31 114.38 124.04 1qkr h ARG 976 Ca 0.38 0.08 0.01 0.00 -1.10 0.00 0.00 59.98 59.35 1qkr h ARG 976 Cb 0.64 0.26 -0.03 0.00 -1.39 0.00 0.00 29.97 29.45 1qkr h ARG 976 CO -0.59 -0.75 0.31 0.82 2.80 0.00 0.00 179.97 182.56 1qkr h ILE 977 N -1.17 1.09 -0.60 1.20 5.03 -1.91 -1.79 117.51 119.36 1qkr h ILE 977 Ca -0.10 -0.21 0.04 0.00 -0.12 0.00 0.00 64.86 64.47 1qkr h ILE 977 Cb 0.96 0.42 -0.05 0.00 -3.03 0.00 0.00 36.82 35.12 1qkr h ILE 977 CO 0.07 0.11 0.34 -0.09 -0.68 0.00 0.00 178.15 177.90 1qkr h ARG 978 N 0.62 0.64 -0.38 2.37 2.43 -0.47 -1.40 114.38 118.19 1qkr h ARG 978 Ca 0.18 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1qkr h ARG 978 Cb -0.04 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 1qkr h ARG 978 CO -0.06 0.42 0.20 1.15 -1.51 0.00 0.00 179.97 180.17 1qkr h THR 979 N 0.66 1.16 -0.46 0.20 2.02 0.01 -2.22 112.91 114.27 1qkr h THR 979 Ca 0.26 -0.43 -0.08 0.00 0.77 0.00 0.00 66.41 66.92 1qkr h THR 979 Cb 0.11 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1qkr h THR 979 CO -0.14 0.17 -0.06 0.78 0.37 0.00 0.00 175.52 176.64 1qkr h ASN 980 N 0.49 0.78 0.21 4.18 -0.26 -1.02 -2.13 115.58 117.83 1qkr h ASN 980 Ca 0.13 -0.21 -0.01 0.00 -0.56 0.00 0.00 56.30 55.65 1qkr h ASN 980 Cb 0.09 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.14 1qkr h ASN 980 CO -0.02 0.88 -0.10 0.25 -1.06 0.00 0.00 177.43 177.38 1qkr h LEU 981 N 0.73 -0.24 -1.22 1.61 5.85 -1.13 -1.71 115.31 119.21 1qkr h LEU 981 Ca 0.13 -0.14 0.12 0.00 0.84 0.00 0.00 57.88 58.83 1qkr h LEU 981 Cb 0.53 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.55 1qkr h LEU 981 CO 0.03 0.01 0.58 -0.07 -0.34 0.00 0.00 178.44 178.65 1qkr h LEU 982 N -0.48 0.74 -0.00 2.25 3.38 -1.34 -1.47 115.31 118.38 1qkr h LEU 982 Ca -0.03 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1qkr h LEU 982 Cb 0.37 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1qkr h LEU 982 CO 0.05 0.40 -0.00 -0.61 0.09 0.00 0.00 178.44 178.37 1qkr h GLN 983 N 0.80 0.00 -0.64 1.13 4.15 -1.18 -1.22 115.11 118.16 1qkr h GLN 983 Ca 0.44 -0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.77 1qkr h GLN 983 Cb 0.57 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.24 1qkr h GLN 983 CO -0.20 0.35 0.07 -0.24 -1.93 0.00 0.00 178.83 176.87 1qkr h VAL 984 N -0.34 1.26 0.00 2.39 3.04 -0.88 -2.66 116.25 119.06 1qkr h VAL 984 Ca 0.00 -1.08 -0.00 0.00 -1.01 0.00 0.00 66.70 64.61 1qkr h VAL 984 Cb 0.35 0.71 -0.00 0.00 -2.01 0.00 0.00 31.29 30.34 1qkr h VAL 984 CO 0.00 0.40 -0.02 0.00 -1.01 0.00 0.00 177.57 176.94 1qkr h GLU 986 N 0.00 0.00 -0.01 0.00 4.57 -0.84 -2.63 114.58 115.67 1qkr h GLU 986 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1qkr h GLU 986 Cb 0.89 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.48 1qkr h GLU 986 CO 0.00 0.14 -0.36 2.89 -1.18 0.00 0.00 179.01 180.50 1qkr n ARG 987 N -3.73 0.74 -0.20 1.92 1.85 -1.21 -4.28 116.66 111.75 1qkr n ARG 987 Ca -0.02 -0.48 -0.07 0.00 -1.00 0.00 0.00 57.85 56.28 1qkr n ARG 987 Cb 0.25 -1.49 0.03 0.00 -1.05 0.00 0.00 32.46 30.20 1qkr n ARG 987 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 1qkr h ILE 988 N 1.18 1.19 -0.86 8.89 2.04 -1.62 -2.25 117.51 126.08 1qkr h ILE 988 Ca 0.00 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 1qkr h ILE 988 Cb 0.55 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1qkr h ILE 988 CO 0.00 0.20 0.53 -0.65 0.00 0.00 0.00 178.15 178.23 1qkr h PRO 989 N 0.76 1.16 -0.50 2.37 0.11 -1.76 0.23 132.00 134.37 1qkr h PRO 989 Ca 0.20 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 1qkr h PRO 989 Cb 0.05 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 30.89 1qkr h PRO 989 CO -0.03 0.81 0.27 1.15 -0.21 0.00 0.00 178.00 179.99 1qkr h THR 990 N 1.18 1.18 -0.48 -1.15 2.02 -1.77 -0.24 112.91 113.65 1qkr h THR 990 Ca 0.31 -0.46 -0.07 0.00 0.77 0.00 0.00 66.41 66.96 1qkr h THR 990 Cb -0.06 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1qkr h THR 990 CO -0.06 0.19 0.01 0.40 0.37 0.00 0.00 175.52 176.43 1qkr h ILE 991 N 0.67 1.26 -0.04 3.11 2.04 -1.01 -1.93 117.51 121.63 1qkr h ILE 991 Ca 0.18 -1.05 -0.10 0.00 1.00 0.00 0.00 64.86 64.89 1qkr h ILE 991 Cb 0.06 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1qkr h ILE 991 CO -0.03 0.37 -0.43 0.77 0.00 0.00 0.00 178.15 178.83 1qkr h SER 992 N 0.70 0.08 -0.44 1.72 4.64 -0.71 -0.77 113.55 118.77 1qkr h SER 992 Ca 0.14 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.33 1qkr h SER 992 Cb 0.50 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1qkr h SER 992 CO 0.02 0.51 -0.08 0.74 -0.87 0.00 0.00 176.83 177.14 1qkr h THR 993 N 0.07 1.27 -0.07 2.95 2.02 -0.85 -2.07 112.91 116.23 1qkr h THR 993 Ca 0.00 -1.18 -0.06 0.00 0.77 0.00 0.00 66.41 65.93 1qkr h THR 993 Cb 0.79 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1qkr h THR 993 CO 0.06 0.40 -0.26 1.56 0.37 0.00 0.00 175.52 177.66 1qkr h GLN 994 N 0.67 0.12 -0.61 6.66 4.20 -0.86 -2.24 115.11 123.06 1qkr h GLN 994 Ca 0.12 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 1qkr h GLN 994 Cb 0.62 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 1qkr h GLN 994 CO 0.04 0.38 0.24 1.25 -0.67 0.00 0.00 178.83 180.06 1qkr h LEU 995 N 0.11 0.85 -0.45 1.46 5.85 -0.77 0.03 115.31 122.38 1qkr h LEU 995 Ca 0.02 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 1qkr h LEU 995 Cb 0.52 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1qkr h LEU 995 CO 0.04 0.79 0.20 0.11 -0.34 0.00 0.00 178.44 179.24 1qkr h LYS 996 N 0.85 0.66 0.12 1.25 1.57 -0.86 0.10 116.57 120.27 1qkr h LYS 996 Ca 0.20 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1qkr h LYS 996 Cb 0.22 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1qkr h LYS 996 CO -0.02 0.58 -0.07 0.82 -0.57 0.00 0.00 179.45 180.20 1qkr h ILE 997 N 0.59 0.86 -0.08 1.86 2.04 -1.06 -1.69 117.51 120.03 1qkr h ILE 997 Ca 0.15 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.93 1qkr h ILE 997 Cb 0.15 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1qkr h ILE 997 CO -0.02 0.00 -0.35 -0.07 0.00 0.00 0.00 178.15 177.71 1qkr h LEU 998 N -0.18 0.16 -0.69 1.44 3.38 -0.89 -2.04 115.31 116.48 1qkr h LEU 998 Ca -0.01 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 1qkr h LEU 998 Cb 0.15 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1qkr h LEU 998 CO 0.02 0.50 -0.29 0.28 0.09 0.00 0.00 178.44 179.04 1qkr h SER 999 N 0.14 0.71 -0.48 -0.43 0.02 -0.80 -1.64 113.55 111.07 1qkr h SER 999 Ca 0.02 -0.28 -0.11 0.00 -0.84 0.00 0.00 61.79 60.58 1qkr h SER 999 Cb 0.69 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 1qkr h SER 999 CO 0.05 0.96 -0.13 0.74 -1.14 0.00 0.00 176.83 177.32 1qkr h THR 1000N 0.59 1.27 0.25 -2.27 2.02 -0.93 -0.01 112.91 113.84 1qkr h THR 1000Ca 0.07 -1.27 -0.00 0.00 0.77 0.00 0.00 66.41 65.99 1qkr h THR 1000Cb 0.79 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1qkr h THR 1000CO 0.07 0.44 -0.21 0.58 0.37 0.00 0.00 175.52 176.77 1qkr h VAL 1001N 0.85 0.55 -0.52 3.16 2.07 -1.05 -1.93 116.25 119.39 1qkr h VAL 1001Ca 0.13 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.60 1qkr h VAL 1001Cb 0.68 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1qkr h VAL 1001CO 0.05 0.00 0.13 0.50 0.02 0.00 0.00 177.57 178.27 1qkr h LYS 1002N -0.47 0.79 -0.57 1.57 1.63 -1.21 -2.72 116.57 115.58 1qkr h LYS 1002Ca -0.01 -0.16 -0.02 0.00 -0.85 0.00 0.00 60.65 59.61 1qkr h LYS 1002Cb 0.43 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.91 1qkr h LYS 1002CO -0.02 0.72 0.26 0.00 -3.45 0.00 0.00 179.45 176.95 1qkr h ALA 1003N 1.37 1.38 0.00 5.00 0.00 -0.72 -3.15 119.26 123.13 1qkr h ALA 1003Ca 0.17 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1qkr h ALA 1003Cb 0.28 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1qkr h ALA 1003CO -0.00 0.48 -0.20 0.25 0.00 0.00 0.00 179.25 179.78 1qkr n THR 1004N -4.35 2.39 -1.15 0.00 -2.24 -0.75 -4.61 114.28 103.58 1qkr n THR 1004Ca 0.05 -1.03 0.00 0.00 -2.27 0.00 0.00 64.05 60.79 1qkr n THR 1004Cb 0.14 -1.77 0.00 0.00 -2.10 0.00 0.00 70.33 66.60 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 2.19 -0.44 0.00 3.22 4.77 -1.20 -5.01 117.00 120.53 1qkr n LEU 1006Ca 0.25 0.70 0.00 0.00 -0.03 0.00 0.00 56.01 56.93 1qkr n LEU 1006Cb 0.70 -1.91 0.00 0.00 -2.33 0.00 0.00 43.42 39.88 1qkr n LEU 1006CO 0.08 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 1qkr n GLY 1007N -1.77 -1.62 2.41 -0.72 0.00 -1.26 -4.65 105.19 97.57 1qkr n GLY 1007Ca 0.00 -2.07 -0.38 0.00 0.00 0.00 0.00 46.02 43.58 1qkr n GLY 1007CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qkr n ARG 1008N -0.00 3.40 0.00 1.61 1.74 -1.26 -4.53 116.66 117.62 1qkr n ARG 1008Ca 0.00 -2.17 0.11 0.00 -0.77 0.00 0.00 57.85 55.02 1qkr n ARG 1008Cb 0.00 -2.83 0.06 0.00 -1.02 0.00 0.00 32.46 28.66 1qkr n ARG 1008CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1qkr n THR 1009N 3.88 0.02 -2.93 0.55 -2.24 -1.26 -4.98 114.28 107.33 1qkr n THR 1009Ca 0.71 -0.04 -0.22 0.00 -2.27 0.00 0.00 64.05 62.23 1qkr n THR 1009Cb 0.24 0.56 0.03 0.00 -2.10 0.00 0.00 70.33 69.06 1qkr n THR 1009CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1qkr n ASN 1010N -1.58 -6.15 -4.78 3.42 5.03 -1.26 -4.96 115.26 104.99 1qkr n ASN 1010Ca 0.04 -0.25 -0.37 0.00 0.87 0.00 0.00 54.58 54.87 1qkr n ASN 1010Cb 0.35 -4.99 -0.02 0.00 -1.02 0.00 0.00 39.78 34.10 1qkr n ASN 1010CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1qkr s ILE 1011N -3.17 3.40 0.31 2.41 1.10 -1.26 -4.99 121.20 118.99 1qkr s ILE 1011Ca 0.26 1.07 -0.29 0.00 -0.51 0.00 0.00 60.65 61.19 1qkr s ILE 1011Cb -0.12 -3.56 -0.10 0.00 0.15 0.00 0.00 42.46 38.84 1qkr s ILE 1011CO 0.32 0.01 1.15 -0.94 -2.11 0.00 0.00 174.94 173.38 1qkr s SER 1012N -1.42 7.05 0.47 4.50 1.04 -1.26 -4.91 113.70 119.17 1qkr s SER 1012Ca 0.60 2.37 0.19 0.00 0.48 0.00 0.00 55.95 59.59 1qkr s SER 1012Cb -0.26 -2.63 1.20 0.00 0.10 0.00 0.00 66.02 64.43 1qkr s SER 1012CO 0.32 -0.31 1.97 0.44 0.98 0.00 0.00 173.24 176.65 1qkr h ASP 1013N 3.53 0.21 -0.04 7.02 3.32 -1.99 -1.37 116.42 127.10 1qkr h ASP 1013Ca -0.48 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 1qkr h ASP 1013Cb 1.22 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.73 1qkr h ASP 1013CO 0.66 0.12 0.02 -0.33 -1.72 0.00 0.00 179.24 177.98 1qkr h GLU 1014N 0.23 0.07 -0.29 3.56 5.08 -1.99 -1.03 114.58 120.21 1qkr h GLU 1014Ca 0.29 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.45 1qkr h GLU 1014Cb 0.81 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 1qkr h GLU 1014CO -0.06 0.23 -0.54 0.93 -1.00 0.00 0.00 179.01 178.58 1qkr h GLU 1015N -0.11 0.85 -0.14 2.33 5.08 -1.81 -2.09 114.58 118.69 1qkr h GLU 1015Ca 0.01 -0.53 0.03 0.00 -1.00 0.00 0.00 59.36 57.87 1qkr h GLU 1015Cb 0.19 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1qkr h GLU 1015CO -0.00 1.17 -0.05 1.03 -1.00 0.00 0.00 179.01 180.16 1qkr h SER 1016N 0.65 -0.17 -0.46 1.42 0.87 -1.22 0.60 113.55 115.24 1qkr h SER 1016Ca 0.02 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1qkr h SER 1016Cb 1.14 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 63.18 1qkr h SER 1016CO 0.12 -0.07 0.28 -0.08 -0.53 0.00 0.00 176.83 176.55 1qkr h GLU 1017N -0.02 0.62 -0.12 2.24 4.57 -1.18 -2.15 114.58 118.53 1qkr h GLU 1017Ca 0.07 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.10 1qkr h GLU 1017Cb 0.13 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1qkr h GLU 1017CO -0.16 0.45 -0.36 0.37 -1.18 0.00 0.00 179.01 178.13 1qkr h GLN 1018N 0.62 0.25 -0.53 1.92 5.75 -1.06 -0.86 115.11 121.20 1qkr h GLN 1018Ca 0.17 -0.11 -0.10 0.00 -0.15 0.00 0.00 58.65 58.46 1qkr h GLN 1018Cb -0.02 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 1qkr h GLN 1018CO -0.03 0.58 -0.06 0.00 -2.65 0.00 0.00 178.83 176.67 1qkr h ALA 1019N 1.41 0.72 -0.43 3.38 0.00 -0.61 -2.90 119.26 120.83 1qkr h ALA 1019Ca 0.02 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1qkr h ALA 1019Cb 0.74 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1qkr h ALA 1019CO 0.06 0.59 0.08 1.15 0.00 0.00 0.00 179.25 181.13 1qkr h THR 1020N 0.85 1.24 0.00 0.00 2.02 -1.05 -2.07 112.91 113.89 1qkr h THR 1020Ca 0.14 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.46 1qkr h THR 1020Cb 0.61 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1qkr h THR 1020CO 0.04 0.30 0.00 -0.62 0.37 0.00 0.00 175.52 175.61 1qkr n GLU 1021N -4.50 0.00 0.00 6.66 -0.58 -0.36 -0.92 120.64 120.95 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 0.23 -1.29 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 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 0.79 0.00 -0.07 -4.62 7.94 -0.78 -1.32 117.00 118.95 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 0.00 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.93 1qkr n LEU 1023CO 0.00 0.00 0.95 0.58 -1.11 0.00 0.00 177.39 177.81 1qkr h VAL 1024N 0.00 1.00 -0.72 1.96 2.07 -1.30 -0.44 116.25 118.82 1qkr h VAL 1024Ca 0.00 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1qkr h VAL 1024Cb 0.00 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1qkr h VAL 1024CO 0.00 0.05 0.37 0.45 0.02 0.00 0.00 177.57 178.46 1qkr h HIS 1025N 0.27 1.00 -0.52 1.57 3.86 -1.46 -0.66 115.15 119.22 1qkr h HIS 1025Ca 0.10 -0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.18 1qkr h HIS 1025Cb 0.02 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.16 1qkr h HIS 1025CO -0.09 0.71 -0.10 -0.97 0.86 0.00 0.00 177.93 178.34 1qkr h ASN 1026N 1.01 0.99 -0.65 2.45 -0.73 -1.72 -1.54 115.58 115.38 1qkr h ASN 1026Ca 0.25 -0.35 -0.04 0.00 1.87 0.00 0.00 56.30 58.03 1qkr h ASN 1026Cb 0.07 -0.27 -0.03 0.00 0.27 0.00 0.00 38.32 38.36 1qkr h ASN 1026CO -0.04 1.11 0.24 0.00 -0.37 0.00 0.00 177.43 178.38 1qkr h ALA 1027N 0.91 0.85 -0.70 1.57 0.00 -0.56 0.69 119.26 122.02 1qkr h ALA 1027Ca 0.13 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1qkr h ALA 1027Cb 0.67 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1qkr h ALA 1027CO 0.05 0.49 0.32 1.96 0.00 0.00 0.00 179.25 182.06 1qkr h GLN 1028N 0.93 1.03 -0.51 0.00 4.20 -0.97 -2.71 115.11 117.08 1qkr h GLN 1028Ca 0.22 -0.16 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 1qkr h GLN 1028Cb 0.24 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1qkr h GLN 1028CO -0.01 0.82 0.03 -0.97 -0.67 0.00 0.00 178.83 178.03 1qkr h ASN 1029N 0.99 0.85 0.00 1.46 -0.00 -0.85 -1.68 115.58 116.35 1qkr h ASN 1029Ca 0.24 -0.29 0.00 0.00 -0.00 0.00 0.00 56.30 56.25 1qkr h ASN 1029Cb 0.15 -0.23 0.00 0.00 -0.00 0.00 0.00 38.32 38.24 1qkr h ASN 1029CO -0.03 0.93 0.00 -0.11 -0.00 0.00 0.00 177.43 178.23 1qkr n LEU 1030N -4.34 0.35 0.00 0.34 7.94 0.20 -0.88 117.00 120.61 1qkr n LEU 1030Ca 0.01 -0.18 0.00 0.00 -1.11 0.00 0.00 56.01 54.73 1qkr n LEU 1030Cb 0.30 -0.12 0.00 0.00 0.53 0.00 0.00 43.42 44.12 1qkr n LEU 1030CO 0.42 0.08 0.00 1.67 -1.11 0.00 0.00 177.39 178.44 1qkr n GLN 1032N 0.49 0.00 -0.05 1.96 -0.06 -0.63 -1.01 117.38 118.07 1qkr n GLN 1032Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 57.00 54.91 1qkr n GLN 1032Cb 0.08 0.00 0.06 0.00 -4.06 0.00 0.00 30.24 26.32 1qkr n GLN 1032CO 0.00 0.00 0.00 0.77 -0.20 0.00 0.00 177.06 177.63 1qkr h SER 1033N 0.00 0.75 0.04 1.69 0.02 -1.26 -1.12 113.55 113.67 1qkr h SER 1033Ca 0.00 -0.33 -0.19 0.00 -0.84 0.00 0.00 61.79 60.43 1qkr h SER 1033Cb 0.00 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.33 1qkr h SER 1033CO 0.00 1.05 -0.68 0.58 -1.14 0.00 0.00 176.83 176.64 1qkr h VAL 1034N 0.58 1.33 -0.46 2.27 2.07 -1.32 -1.78 116.25 118.94 1qkr h VAL 1034Ca 0.05 -1.97 -0.01 0.00 0.82 0.00 0.00 66.70 65.60 1qkr h VAL 1034Cb 0.92 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 1qkr h VAL 1034CO 0.08 0.61 0.26 0.50 0.02 0.00 0.00 177.57 179.04 1qkr h LYS 1035N 0.42 0.64 -0.44 1.57 3.64 -1.75 -0.58 116.57 120.08 1qkr h LYS 1035Ca -0.02 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.19 1qkr h LYS 1035Cb 1.26 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1qkr h LYS 1035CO 0.13 0.50 -0.11 1.49 -2.27 0.00 0.00 179.45 179.19 1qkr h GLU 1036N 0.61 0.79 -0.77 1.90 4.57 -1.19 -2.39 114.58 118.09 1qkr h GLU 1036Ca 0.16 -0.26 -0.03 0.00 -1.18 0.00 0.00 59.36 58.05 1qkr h GLU 1036Cb 0.04 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.53 1qkr h GLU 1036CO -0.03 0.87 0.36 1.15 -1.18 0.00 0.00 179.01 180.18 1qkr h THR 1037N 0.71 1.25 -0.26 0.32 2.02 -0.85 -0.28 112.91 115.81 1qkr h THR 1037Ca 0.12 -0.71 -0.00 0.00 0.77 0.00 0.00 66.41 66.59 1qkr h THR 1037Cb 0.60 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1qkr h THR 1037CO 0.04 0.30 0.16 0.58 0.37 0.00 0.00 175.52 176.97 1qkr h VAL 1038N 1.09 1.10 -0.33 3.16 2.07 -0.84 0.97 116.25 123.46 1qkr h VAL 1038Ca 0.26 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1qkr h VAL 1038Cb 0.13 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1qkr h VAL 1038CO -0.03 0.09 0.22 0.03 0.02 0.00 0.00 177.57 177.90 1qkr h ARG 1039N 0.33 0.44 -0.15 1.57 3.08 -1.08 -1.70 114.38 116.88 1qkr h ARG 1039Ca 0.09 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 59.99 1qkr h ARG 1039Cb 0.01 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1qkr h ARG 1039CO -0.02 0.30 -0.45 0.93 -1.07 0.00 0.00 179.97 179.66 1qkr h GLU 1040N 0.45 0.37 -0.11 0.04 5.08 -0.89 -2.26 114.58 117.26 1qkr h GLU 1040Ca 0.12 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 1qkr h GLU 1040Cb -0.04 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1qkr h GLU 1040CO -0.03 0.75 -0.26 0.00 -1.00 0.00 0.00 179.01 178.48 1qkr h ALA 1041N 1.22 1.37 -0.12 3.43 0.00 -0.57 0.60 119.26 125.19 1qkr h ALA 1041Ca 0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1qkr h ALA 1041Cb 0.92 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1qkr h ALA 1041CO 0.08 0.44 -0.07 1.49 0.00 0.00 0.00 179.25 181.19 1qkr h GLU 1042N 0.18 0.27 0.00 0.00 4.22 -0.98 -2.50 114.58 115.76 1qkr h GLU 1042Ca 0.03 -0.12 -0.03 0.00 0.08 0.00 0.00 59.36 59.32 1qkr h GLU 1042Cb 0.56 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1qkr h GLU 1042CO 0.04 0.62 -0.13 0.00 -2.18 0.00 0.00 179.01 177.36 1qkr h ALA 1043N 0.64 1.13 0.00 2.92 0.00 -1.02 -2.90 119.26 120.04 1qkr h ALA 1043Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1qkr h ALA 1043Cb 0.54 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1qkr h ALA 1043CO 0.02 0.16 -0.57 0.00 0.00 0.00 0.00 179.25 178.86 1qkr n ALA 1044N -2.22 3.00 -2.27 0.00 0.00 0.17 -4.91 120.51 114.29 1qkr n ALA 1044Ca -0.01 -0.26 -0.31 0.00 0.00 0.00 0.00 53.44 52.87 1qkr n ALA 1044Cb 0.30 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.53 1qkr n ALA 1044CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1qkr s SER 1045N -3.96 6.58 0.00 0.00 0.01 -0.95 -4.51 113.70 110.86 1qkr s SER 1045Ca 0.07 1.06 0.00 0.00 1.31 0.00 0.00 55.95 58.39 1qkr s SER 1045Cb 0.14 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 64.09 1qkr s SER 1045CO 0.71 -0.27 0.00 2.30 0.41 0.00 0.00 173.24 176.38 1qkr n ILE 1046N -0.86 0.00 -1.69 1.44 -6.64 -1.26 -5.00 119.36 105.35 1qkr n ILE 1046Ca 0.02 0.00 -0.50 0.00 -1.77 0.00 0.00 62.75 60.49 1qkr n ILE 1046Cb 0.54 -0.51 -0.05 0.00 -1.44 0.00 0.00 39.64 38.17 1qkr n ILE 1046CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1qkr n ALA 1052N -1.22 0.66 -0.01 -1.28 0.00 -1.26 -5.03 120.51 112.36 1qkr n ALA 1052Ca 0.00 0.30 -0.13 0.00 0.00 0.00 0.00 53.44 53.61 1qkr n ALA 1052Cb 0.00 -2.45 -0.09 0.00 0.00 0.00 0.00 19.45 16.91 1qkr n ALA 1052CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1qkr h GLY 1053N 8.90 0.05 0.00 0.00 0.00 -2.03 -3.47 103.07 106.53 1qkr h GLY 1053Ca -0.48 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1qkr h GLY 1053CO 0.95 0.04 0.00 0.69 0.00 0.00 0.00 176.54 178.23 1qkr n PHE 1054N -4.85 0.00 0.00 5.60 3.72 -1.26 -4.92 117.46 115.75 1qkr n PHE 1054Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1qkr n PHE 1054Cb 0.23 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 1qkr n PHE 1054CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1qkr n THR 1055N 0.00 0.00 -3.76 4.37 -2.24 -1.26 -5.09 114.28 106.30 1qkr n THR 1055Ca 0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 1qkr n THR 1055Cb 0.00 -0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 67.61 1qkr n THR 1055CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1qkr s LEU 1056N -2.32 4.28 -0.20 3.22 1.43 -1.26 -4.99 118.68 118.84 1qkr s LEU 1056Ca 0.00 0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 53.39 1qkr s LEU 1056Cb 0.00 -3.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.02 1qkr s LEU 1056CO 0.00 0.06 0.31 -0.60 0.23 0.00 0.00 176.35 176.34 1qkr s ARG 1057N -2.83 4.17 -0.44 1.70 3.52 -0.73 -4.85 118.95 119.50 1qkr s ARG 1057Ca 0.38 0.05 0.03 0.00 -0.13 0.00 0.00 55.73 56.06 1qkr s ARG 1057Cb -0.12 -3.51 0.12 0.00 -1.56 0.00 0.00 34.95 29.88 1qkr s ARG 1057CO 0.27 0.07 0.17 -1.58 -0.81 0.00 0.00 175.30 173.42 1qkr s TRP 1058N 1.01 3.51 -0.10 5.12 0.52 -1.26 -4.58 118.94 123.15 1qkr s TRP 1058Ca 0.15 -2.99 0.02 0.00 0.02 0.00 0.00 56.10 53.30 1qkr s TRP 1058Cb -0.14 -2.94 0.01 0.00 -1.15 0.00 0.00 33.47 29.26 1qkr s TRP 1058CO 0.06 -0.87 -0.14 0.08 0.02 0.00 0.00 176.95 176.10 1qkr s VAL 1059N 0.40 1.39 0.45 4.03 1.01 -1.26 -5.06 120.40 121.37 1qkr s VAL 1059Ca 0.13 -0.59 -0.23 0.00 0.00 0.00 0.00 61.98 61.29 1qkr s VAL 1059Cb -0.22 -1.28 -0.07 0.00 0.00 0.00 0.00 36.38 34.81 1qkr s VAL 1059CO -0.04 0.42 1.20 -0.13 0.00 0.00 0.00 175.10 176.54 1qkr s ARG 1060N 0.92 3.76 -0.29 2.72 0.52 -1.26 -1.23 118.95 124.09 1qkr s ARG 1060Ca -0.09 1.87 -0.17 0.00 -0.52 0.00 0.00 55.73 56.82 1qkr s ARG 1060Cb -0.15 -2.47 -0.02 0.00 0.52 0.00 0.00 34.95 32.83 1qkr s ARG 1060CO -0.00 -0.58 0.49 0.21 0.02 0.00 0.00 175.30 175.44 1qkr s LYS 1061N -2.61 3.91 0.16 3.54 2.20 0.15 -4.72 119.74 122.36 1qkr s LYS 1061Ca 0.63 0.12 -0.01 0.00 -0.36 0.00 0.00 55.97 56.34 1qkr s LYS 1061Cb -0.31 -3.70 -0.04 0.00 -1.51 0.00 0.00 37.83 32.27 1qkr s LYS 1061CO 0.38 -0.43 0.08 0.95 -0.36 0.00 0.00 175.35 175.97 1qkr s THR 1062N 2.30 0.08 -2.00 3.43 -4.23 -1.26 -4.90 115.64 109.06 1qkr s THR 1062Ca 0.19 -1.94 0.12 0.00 -1.18 0.00 0.00 61.69 58.88 1qkr s THR 1062Cb -0.16 -2.21 0.35 0.00 1.34 0.00 0.00 72.50 71.83 1qkr s THR 1062CO 0.11 -0.30 1.24 -0.81 -0.54 0.00 0.00 174.62 174.32 1qkr n PRO 1063N -0.16 0.68 0.00 3.99 -0.04 -1.26 -5.16 135.00 133.04 1qkr n PRO 1063Ca -0.03 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.56 1qkr n PRO 1063Cb 0.64 -1.28 0.27 0.00 -0.04 0.00 0.00 33.50 33.09 1qkr n PRO 1063CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37