#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1azs s GLN 880 N 0.00 2.23 0.24 -1.40 -2.07 -1.16 -4.96 119.66 112.53 1azs s GLN 880 Ca 0.00 -2.06 0.10 0.00 -1.82 0.00 0.00 55.36 51.58 1azs s GLN 880 Cb 0.00 -1.90 -0.04 0.00 -1.09 0.00 0.00 33.01 29.97 1azs s GLN 880 CO 0.00 -0.37 -0.11 -1.54 -1.32 0.00 0.00 175.29 171.95 1azs s SER 881 N -4.04 4.08 0.29 12.60 1.04 -1.26 -1.41 113.70 125.00 1azs s SER 881 Ca 0.29 -0.76 0.03 0.00 0.48 0.00 0.00 55.95 55.99 1azs s SER 881 Cb 0.01 -0.60 -0.06 0.00 0.10 0.00 0.00 66.02 65.48 1azs s SER 881 CO 0.17 0.05 0.05 -0.31 0.98 0.00 0.00 173.24 174.19 1azs s TYR 882 N -2.13 1.76 -0.08 5.02 1.51 -0.21 -4.97 117.35 118.26 1azs s TYR 882 Ca 0.28 -1.01 0.08 0.00 -1.01 0.00 0.00 57.07 55.41 1azs s TYR 882 Cb -0.07 -1.09 -0.11 0.00 -0.11 0.00 0.00 41.96 40.58 1azs s TYR 882 CO 0.16 -0.10 0.05 -0.25 -1.11 0.00 0.00 175.55 174.30 1azs n ASP 883 N -0.56 2.84 -3.06 2.29 8.00 -1.26 -2.82 116.55 121.98 1azs n ASP 883 Ca -0.02 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.35 1azs n ASP 883 Cb 0.66 0.79 -0.04 0.00 -0.02 0.00 0.00 41.12 42.51 1azs n ASP 883 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1azs s VAL 885 N 0.71 3.68 -0.37 0.00 1.01 -0.78 -4.82 120.40 119.82 1azs s VAL 885 Ca 0.29 -0.46 -0.16 0.00 0.00 0.00 0.00 61.98 61.66 1azs s VAL 885 Cb -0.00 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.82 1azs s VAL 885 CO -0.10 0.54 0.36 0.00 0.00 0.00 0.00 175.10 175.91 1azs s VAL 887 N 1.98 5.02 -0.03 0.00 1.01 -0.02 -0.52 120.40 127.85 1azs s VAL 887 Ca 0.10 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.02 1azs s VAL 887 Cb -0.17 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.02 1azs s VAL 887 CO 0.12 0.54 -0.02 -0.32 0.00 0.00 0.00 175.10 175.41 1azs s MET 888 N -1.21 0.47 -0.18 2.72 1.75 0.43 -2.12 119.30 121.16 1azs s MET 888 Ca 0.17 -0.03 -0.02 0.00 -1.25 0.00 0.00 55.69 54.55 1azs s MET 888 Cb -0.12 -0.55 -0.01 0.00 2.84 0.00 0.00 34.83 36.99 1azs s MET 888 CO 0.07 -0.06 -0.08 -0.06 -0.65 0.00 0.00 175.02 174.24 1azs s PHE 889 N 0.71 2.91 -0.20 4.11 0.40 -0.73 -1.70 117.98 123.48 1azs s PHE 889 Ca -0.08 -0.77 0.01 0.00 -0.60 0.00 0.00 56.93 55.49 1azs s PHE 889 Cb -0.11 -1.98 0.04 0.00 0.51 0.00 0.00 43.02 41.47 1azs s PHE 889 CO -0.01 -0.37 -0.14 0.00 0.70 0.00 0.00 175.22 175.41 1azs s ALA 890 N 0.91 2.16 0.28 5.36 0.00 -0.31 -1.23 121.76 128.93 1azs s ALA 890 Ca -0.02 -1.25 0.10 0.00 0.00 0.00 0.00 51.96 50.79 1azs s ALA 890 Cb -0.15 -1.27 -0.05 0.00 0.00 0.00 0.00 23.12 21.65 1azs s ALA 890 CO 0.00 -0.68 -0.16 -1.54 0.00 0.00 0.00 175.76 173.39 1azs s SER 891 N 1.33 3.38 -0.59 0.00 1.04 -0.00 -0.06 113.70 118.79 1azs s SER 891 Ca 0.00 -1.07 0.02 0.00 0.48 0.00 0.00 55.95 55.37 1azs s SER 891 Cb -0.15 -0.27 0.15 0.00 0.10 0.00 0.00 66.02 65.84 1azs s SER 891 CO -0.09 -0.08 0.37 -0.63 0.98 0.00 0.00 173.24 173.79 1azs s ILE 892 N -2.65 3.09 0.30 -1.02 1.01 -1.21 -0.70 121.20 120.02 1azs s ILE 892 Ca 0.29 -3.34 0.05 0.00 0.00 0.00 0.00 60.65 57.66 1azs s ILE 892 Cb -0.02 -3.06 0.29 0.00 0.01 0.00 0.00 42.46 39.68 1azs s ILE 892 CO 0.14 -0.86 1.76 -0.65 0.00 0.00 0.00 174.94 175.32 1azs h PRO 893 N 6.53 0.66 0.00 2.79 0.11 -1.93 -2.26 132.00 137.90 1azs h PRO 893 Ca -0.02 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1azs h PRO 893 Cb 0.89 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1azs h PRO 893 CO 0.71 0.44 0.00 -0.25 -0.21 0.00 0.00 178.00 178.69 1azs n ASP 894 N -4.83 0.00 -0.09 -2.05 8.00 -1.26 -3.89 116.55 112.43 1azs n ASP 894 Ca 0.23 -0.57 -0.13 0.00 0.71 0.00 0.00 54.79 55.03 1azs n ASP 894 Cb 0.59 -0.10 -0.04 0.00 -0.02 0.00 0.00 41.12 41.54 1azs n ASP 894 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1azs h PHE 895 N 0.00 0.81 -0.18 1.24 3.57 -1.81 -3.11 116.94 117.47 1azs h PHE 895 Ca 0.00 -0.24 0.00 0.00 3.53 0.00 0.00 57.97 61.26 1azs h PHE 895 Cb 0.09 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1azs h PHE 895 CO 0.00 0.98 0.12 -0.22 -2.23 0.00 0.00 178.31 176.96 1azs h LYS 896 N 0.41 0.23 -0.11 1.11 3.64 -1.79 -0.37 116.57 119.68 1azs h LYS 896 Ca 0.04 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1azs h LYS 896 Cb 0.84 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1azs h LYS 896 CO 0.07 0.15 0.01 0.93 -2.27 0.00 0.00 179.45 178.34 1azs h GLU 897 N 0.24 0.19 -0.77 1.90 5.08 -1.81 -2.78 114.58 116.62 1azs h GLU 897 Ca 0.07 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.47 1azs h GLU 897 Cb -0.02 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 1azs h GLU 897 CO -0.01 0.40 0.51 0.35 -1.00 0.00 0.00 179.01 179.26 1azs h PHE 898 N -0.06 0.75 -2.71 4.33 3.57 -1.07 -3.42 116.94 118.34 1azs h PHE 898 Ca 0.03 0.02 -0.53 0.00 3.53 0.00 0.00 57.97 61.02 1azs h PHE 898 Cb 0.31 -0.24 0.03 0.00 2.79 0.00 0.00 35.95 38.84 1azs h PHE 898 CO 0.02 0.36 0.97 -0.47 -2.23 0.00 0.00 178.31 176.96 1azs s TYR 899 N -5.65 2.59 0.04 0.41 5.04 -0.30 -4.98 117.35 114.49 1azs s TYR 899 Ca -0.10 0.38 -0.07 0.00 -2.44 0.00 0.00 57.07 54.85 1azs s TYR 899 Cb 0.20 -3.97 -0.01 0.00 0.35 0.00 0.00 41.96 38.53 1azs s TYR 899 CO 0.78 -3.82 0.13 0.99 -1.34 0.00 0.00 175.55 172.29 1azs s THR 900 N 2.20 0.13 -0.13 4.34 2.01 -1.26 -4.97 115.64 117.95 1azs s THR 900 Ca 0.73 -1.04 -0.00 0.00 0.31 0.00 0.00 61.69 61.70 1azs s THR 900 Cb -0.41 -0.91 0.02 0.00 0.01 0.00 0.00 72.50 71.21 1azs s THR 900 CO 0.32 -0.57 -0.11 -1.61 -0.69 0.00 0.00 174.62 171.96 1azs s GLU 901 N -2.63 1.93 0.30 4.92 2.02 -1.26 -3.15 118.70 120.83 1azs s GLU 901 Ca -0.05 -0.42 -0.10 0.00 0.02 0.00 0.00 54.97 54.43 1azs s GLU 901 Cb -0.01 -1.87 0.01 0.00 0.10 0.00 0.00 34.13 32.36 1azs s GLU 901 CO -0.05 -0.26 0.53 -1.54 0.02 0.00 0.00 175.26 173.96 1azs s SER 902 N 1.59 0.28 0.22 -0.19 1.04 -1.26 -4.84 113.70 110.54 1azs s SER 902 Ca 0.05 -1.16 -0.01 0.00 0.48 0.00 0.00 55.95 55.31 1azs s SER 902 Cb -0.13 0.66 0.21 0.00 0.10 0.00 0.00 66.02 66.85 1azs s SER 902 CO -0.10 -1.28 1.57 0.44 0.98 0.00 0.00 173.24 174.85 1azs h ASP 903 N 2.16 0.55 -0.58 7.02 3.32 -1.99 0.43 116.42 127.33 1azs h ASP 903 Ca -0.28 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.51 1azs h ASP 903 Cb 1.25 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 1azs h ASP 903 CO 0.37 0.93 0.35 0.58 -1.72 0.00 0.00 179.24 179.75 1azs h VAL 904 N 0.41 1.17 -0.98 -1.35 2.07 -2.03 -2.76 116.25 112.78 1azs h VAL 904 Ca 0.02 -0.39 -0.53 0.00 0.82 0.00 0.00 66.70 66.63 1azs h VAL 904 Cb 0.97 0.38 -0.30 0.00 -1.52 0.00 0.00 31.29 30.82 1azs h VAL 904 CO 0.09 0.18 0.66 -0.46 0.02 0.00 0.00 177.57 178.06 1azs n ASN 905 N -4.63 4.22 -3.83 0.57 0.23 -1.21 -4.91 115.26 105.69 1azs n ASN 905 Ca 0.04 -3.64 -0.27 0.00 -0.53 0.00 0.00 54.58 50.18 1azs n ASN 905 Cb 0.06 -0.85 0.03 0.00 -2.08 0.00 0.00 39.78 36.93 1azs n ASN 905 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1azs n LYS 906 N -1.12 -5.32 -3.69 -3.83 4.76 -1.04 -1.53 118.16 106.39 1azs n LYS 906 Ca 0.60 0.61 -0.22 0.00 -2.87 0.00 0.00 58.31 56.42 1azs n LYS 906 Cb 1.53 -5.36 0.04 0.00 -1.84 0.00 0.00 35.03 29.40 1azs n LYS 906 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1azs n GLU 907 N -4.54 -5.52 -0.48 1.97 4.71 0.15 -2.99 120.64 113.93 1azs n GLU 907 Ca -0.09 0.67 0.00 0.00 -0.01 0.00 0.00 57.16 57.73 1azs n GLU 907 Cb 0.58 -5.40 0.00 0.00 -1.01 0.00 0.00 31.44 25.62 1azs n GLU 907 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1azs n GLY 908 N -1.56 0.75 0.19 0.62 0.00 -0.82 -4.74 105.19 99.63 1azs n GLY 908 Ca -0.21 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 1azs n GLY 908 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1azs h LEU 909 N 0.00 0.80 -2.21 0.99 5.85 -1.17 -2.75 115.31 116.81 1azs h LEU 909 Ca 0.00 -0.60 -0.01 0.00 0.84 0.00 0.00 57.88 58.11 1azs h LEU 909 Cb 0.00 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.79 1azs h LEU 909 CO 0.00 1.39 -0.06 -0.33 -0.34 0.00 0.00 178.44 179.10 1azs h GLU 910 N 0.39 0.00 0.20 1.25 4.39 -1.73 -0.46 114.58 118.62 1azs h GLU 910 Ca -0.09 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 1azs h GLU 910 Cb 1.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.21 1azs h GLU 910 CO 0.18 0.06 -0.10 0.00 -1.16 0.00 0.00 179.01 177.99 1azs h LEU 912 N -0.82 0.00 -0.73 0.00 3.38 -1.18 -0.51 115.31 115.45 1azs h LEU 912 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1azs h LEU 912 Cb 0.52 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1azs h LEU 912 CO 0.04 0.00 0.41 -0.09 0.09 0.00 0.00 178.44 178.89 1azs h ARG 913 N 0.00 1.01 -0.43 1.13 2.43 -0.97 -0.19 114.38 117.36 1azs h ARG 913 Ca 0.11 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1azs h ARG 913 Cb 0.46 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1azs h ARG 913 CO -0.00 0.74 0.02 1.25 -1.51 0.00 0.00 179.97 180.47 1azs h LEU 914 N 1.00 0.73 -1.63 3.80 5.85 -0.93 -2.58 115.31 121.54 1azs h LEU 914 Ca 0.26 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.71 1azs h LEU 914 Cb 0.02 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1azs h LEU 914 CO -0.04 0.84 0.29 0.25 -0.34 0.00 0.00 178.44 179.44 1azs h LEU 915 N 0.59 0.42 -0.48 2.25 5.85 -0.84 -0.72 115.31 122.38 1azs h LEU 915 Ca 0.12 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1azs h LEU 915 Cb 0.46 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1azs h LEU 915 CO 0.02 0.29 0.09 -1.13 -0.34 0.00 0.00 178.44 177.37 1azs h ASN 916 N 0.49 0.75 0.24 1.25 -1.24 -0.81 -0.18 115.58 116.08 1azs h ASN 916 Ca 0.17 -0.25 -0.07 0.00 0.71 0.00 0.00 56.30 56.86 1azs h ASN 916 Cb 0.08 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 1azs h ASN 916 CO -0.04 0.81 -0.28 -0.33 -1.29 0.00 0.00 177.43 176.29 1azs h GLU 917 N 0.65 0.07 0.08 6.67 4.39 -0.79 -0.35 114.58 125.31 1azs h GLU 917 Ca 0.15 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 1azs h GLU 917 Cb 0.37 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1azs h GLU 917 CO 0.01 0.36 -0.04 0.82 -1.16 0.00 0.00 179.01 178.99 1azs h ILE 918 N 0.07 1.06 -0.66 3.13 2.04 -0.89 -1.82 117.51 120.44 1azs h ILE 918 Ca 0.01 -1.45 -0.03 0.00 1.00 0.00 0.00 64.86 64.39 1azs h ILE 918 Cb 0.54 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.46 1azs h ILE 918 CO 0.04 0.31 0.30 0.40 0.00 0.00 0.00 178.15 179.19 1azs h ILE 919 N -0.88 1.22 -0.53 -0.67 2.04 -0.99 -0.84 117.51 116.86 1azs h ILE 919 Ca -0.01 -0.64 -0.10 0.00 1.00 0.00 0.00 64.86 65.11 1azs h ILE 919 Cb 0.59 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1azs h ILE 919 CO 0.02 0.26 -0.04 0.00 0.00 0.00 0.00 178.15 178.39 1azs h ALA 920 N 1.39 0.72 0.00 1.87 0.00 -1.16 -1.21 119.26 120.87 1azs h ALA 920 Ca 0.23 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1azs h ALA 920 Cb 0.13 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1azs h ALA 920 CO -0.03 0.58 -0.12 0.22 0.00 0.00 0.00 179.25 179.91 1azs h ASP 921 N 0.84 0.00 0.42 0.00 3.58 -0.63 -1.78 116.42 118.85 1azs h ASP 921 Ca 0.15 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.34 1azs h ASP 921 Cb 0.59 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.65 1azs h ASP 921 CO 0.04 0.12 -1.11 -0.26 -2.88 0.00 0.00 179.24 175.14 1azs h PHE 922 N 0.00 0.63 -0.17 0.28 -1.00 -0.84 -3.31 116.94 112.53 1azs h PHE 922 Ca -0.00 -0.39 -0.08 0.00 2.81 0.00 0.00 57.97 60.31 1azs h PHE 922 Cb 0.22 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.72 1azs h PHE 922 CO 0.00 1.25 -0.24 -0.44 -1.61 0.00 0.00 178.31 177.27 1azs h ASP 923 N 0.17 0.31 -0.60 2.17 3.32 -0.41 -2.68 116.42 118.70 1azs h ASP 923 Ca -0.12 -0.09 0.15 0.00 0.02 0.00 0.00 57.03 56.99 1azs h ASP 923 Cb 1.79 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 41.23 1azs h ASP 923 CO 0.19 0.56 0.42 0.44 -1.72 0.00 0.00 179.24 179.13 1azs h ASP 924 N 0.28 0.10 0.33 6.45 3.32 -1.46 -1.62 116.42 123.81 1azs h ASP 924 Ca 0.04 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 1azs h ASP 924 Cb 0.59 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 1azs h ASP 924 CO 0.04 0.05 -0.24 -0.07 -1.72 0.00 0.00 179.24 177.31 1azs h LEU 925 N 0.11 0.00 -2.19 1.55 3.38 -1.62 -2.92 115.31 113.62 1azs h LEU 925 Ca 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 1azs h LEU 925 Cb 0.99 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 1azs h LEU 925 CO -0.03 0.24 -0.06 -0.07 0.09 0.00 0.00 178.44 178.61 1azs h LEU 926 N 0.00 0.00 -0.49 1.67 3.38 -1.44 -2.08 115.31 116.35 1azs h LEU 926 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1azs h LEU 926 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1azs h LEU 926 CO 0.03 0.06 0.00 -1.20 0.09 0.00 0.00 178.44 177.42 1azs n SER 927 N -3.44 0.76 -4.73 -0.43 7.64 -1.10 -4.38 113.62 107.94 1azs n SER 927 Ca -0.02 -1.30 -0.41 0.00 1.01 0.00 0.00 58.87 58.16 1azs n SER 927 Cb 0.19 -0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 63.33 1azs n SER 927 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1azs s LYS 928 N -1.98 4.73 0.40 1.43 1.02 -0.78 -4.94 119.74 119.61 1azs s LYS 928 Ca 0.41 1.47 0.14 0.00 0.02 0.00 0.00 55.97 58.02 1azs s LYS 928 Cb 0.21 -3.35 0.99 0.00 -0.52 0.00 0.00 37.83 35.16 1azs s LYS 928 CO 0.33 0.27 1.87 -1.35 -0.92 0.00 0.00 175.35 175.56 1azs h PRO 929 N 5.25 0.48 0.00 -1.68 0.11 -1.89 0.63 132.00 134.90 1azs h PRO 929 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1azs h PRO 929 Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1azs h PRO 929 CO 0.71 0.32 0.00 1.57 -0.21 0.00 0.00 178.00 180.39 1azs h LYS 930 N 0.50 0.00 -0.30 1.05 2.10 -1.93 -3.02 116.57 114.97 1azs h LYS 930 Ca 0.45 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 59.08 1azs h LYS 930 Cb 0.98 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.30 1azs h LYS 930 CO -0.18 0.00 0.00 1.19 -2.00 0.00 0.00 179.45 178.46 1azs n PHE 931 N -2.58 1.06 0.51 0.07 3.72 0.20 -4.58 117.46 115.86 1azs n PHE 931 Ca 0.03 -0.92 0.07 0.00 -0.05 0.00 0.00 57.45 56.58 1azs n PHE 931 Cb 0.32 -0.35 0.32 0.00 -0.94 0.00 0.00 39.48 38.83 1azs n PHE 931 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1azs n SER 932 N -0.48 0.00 0.03 4.37 3.41 -1.12 -1.47 113.62 118.38 1azs n SER 932 Ca 0.23 0.50 0.12 0.00 -0.26 0.00 0.00 58.87 59.46 1azs n SER 932 Cb 0.93 -0.50 0.20 0.00 -0.26 0.00 0.00 64.21 64.58 1azs n SER 932 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1azs n GLY 933 N 0.04 -1.33 3.70 5.00 0.00 -1.26 -4.90 105.19 106.43 1azs n GLY 933 Ca 0.04 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 1azs n GLY 933 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1azs s VAL 934 N -3.10 4.79 -0.26 1.61 1.01 -0.54 -4.07 120.40 119.84 1azs s VAL 934 Ca 0.08 2.03 -0.01 0.00 0.00 0.00 0.00 61.98 64.08 1azs s VAL 934 Cb 0.15 -4.30 0.04 0.00 0.00 0.00 0.00 36.38 32.27 1azs s VAL 934 CO 0.72 0.07 -0.06 -0.70 0.00 0.00 0.00 175.10 175.12 1azs s GLU 935 N 1.61 2.60 0.06 2.72 2.56 -0.29 -4.97 118.70 122.97 1azs s GLU 935 Ca 0.50 -1.13 -0.31 0.00 0.00 0.00 0.00 54.97 54.03 1azs s GLU 935 Cb -0.20 -3.00 -0.07 0.00 2.00 0.00 0.00 34.13 32.87 1azs s GLU 935 CO 0.22 -0.49 1.39 0.21 -0.56 0.00 0.00 175.26 176.03 1azs s LYS 936 N 1.25 4.31 -0.23 4.30 2.20 -1.26 -1.28 119.74 129.03 1azs s LYS 936 Ca -0.03 2.01 -0.19 0.00 -0.36 0.00 0.00 55.97 57.39 1azs s LYS 936 Cb -0.18 -3.42 -0.17 0.00 -1.51 0.00 0.00 37.83 32.55 1azs s LYS 936 CO -0.04 -0.50 0.04 -0.89 -0.36 0.00 0.00 175.35 173.60 1azs n ILE 937 N 4.31 1.53 -4.00 5.43 2.08 0.51 -4.96 119.36 124.26 1azs n ILE 937 Ca 0.12 -0.14 0.02 0.00 0.56 0.00 0.00 62.75 63.31 1azs n ILE 937 Cb 0.43 -1.99 0.01 0.00 -0.75 0.00 0.00 39.64 37.35 1azs n ILE 937 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1azs n LYS 938 N -4.37 0.23 -5.19 0.38 0.00 -1.13 -4.96 118.16 103.11 1azs n LYS 938 Ca -0.39 -0.85 -0.32 0.00 -0.00 0.00 0.00 58.31 56.75 1azs n LYS 938 Cb 0.75 1.36 -0.16 0.00 -0.00 0.00 0.00 35.03 36.97 1azs n LYS 938 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1azs s THR 939 N -2.02 2.23 -0.34 0.58 -4.23 -1.26 -1.57 115.64 109.03 1azs s THR 939 Ca 0.29 -1.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.76 1azs s THR 939 Cb -0.01 -1.83 0.06 0.00 1.34 0.00 0.00 72.50 72.06 1azs s THR 939 CO 0.00 0.57 0.10 -0.63 -0.54 0.00 0.00 174.62 174.12 1azs s ILE 940 N -0.12 3.44 0.00 2.99 1.09 0.76 -4.91 121.20 124.45 1azs s ILE 940 Ca -0.05 -1.42 0.00 0.00 -1.10 0.00 0.00 60.65 58.08 1azs s ILE 940 Cb -0.14 -3.05 0.00 0.00 -1.06 0.00 0.00 42.46 38.21 1azs s ILE 940 CO 0.04 -0.28 0.00 0.61 -0.10 0.00 0.00 174.94 175.21 1azs n GLY 941 N 4.71 1.32 1.31 6.18 0.00 -1.26 -0.37 105.19 117.09 1azs n GLY 941 Ca -0.11 0.36 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 1azs n GLY 941 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1azs n SER 942 N 11.82 3.32 -4.33 1.61 3.41 -1.26 -4.99 113.62 123.21 1azs n SER 942 Ca 0.00 -3.83 -0.33 0.00 -0.26 0.00 0.00 58.87 54.45 1azs n SER 942 Cb 0.00 -0.48 -0.15 0.00 -0.26 0.00 0.00 64.21 63.32 1azs n SER 942 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1azs s THR 943 N -3.85 2.95 -0.22 6.66 2.01 0.50 -3.34 115.64 120.36 1azs s THR 943 Ca 0.45 -0.68 -0.15 0.00 0.31 0.00 0.00 61.69 61.62 1azs s THR 943 Cb 0.40 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 1azs s THR 943 CO -0.02 0.51 0.34 -0.47 -0.69 0.00 0.00 174.62 174.30 1azs s TYR 944 N 0.62 3.35 -0.17 4.92 5.04 0.92 -0.17 117.35 131.85 1azs s TYR 944 Ca -0.07 0.51 0.01 0.00 -2.44 0.00 0.00 57.07 55.07 1azs s TYR 944 Cb -0.16 -2.47 0.01 0.00 0.35 0.00 0.00 41.96 39.69 1azs s TYR 944 CO 0.03 -0.01 -0.18 1.41 -1.34 0.00 0.00 175.55 175.45 1azs s MET 945 N 1.32 3.07 0.05 4.97 -2.45 -0.61 -1.16 119.30 124.50 1azs s MET 945 Ca 0.16 -0.81 -0.05 0.00 -1.25 0.00 0.00 55.69 53.74 1azs s MET 945 Cb -0.15 -2.58 -0.01 0.00 1.25 0.00 0.00 34.83 33.34 1azs s MET 945 CO 0.07 -0.12 0.09 0.00 1.05 0.00 0.00 175.02 176.11 1azs s ALA 946 N 1.11 0.01 0.02 4.11 0.00 -0.69 -0.36 121.76 125.96 1azs s ALA 946 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1azs s ALA 946 Cb -0.14 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 1azs s ALA 946 CO -0.07 -0.37 -0.03 0.00 0.00 0.00 0.00 175.76 175.29 1azs s ALA 947 N -3.13 0.12 -0.03 0.00 0.00 -0.40 -0.43 121.76 117.88 1azs s ALA 947 Ca -0.00 -0.56 0.06 0.00 0.00 0.00 0.00 51.96 51.45 1azs s ALA 947 Cb 0.02 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.26 1azs s ALA 947 CO -0.07 -0.15 -0.20 0.95 0.00 0.00 0.00 175.76 176.30 1azs s THR 948 N -1.37 2.61 0.00 0.00 -4.23 0.32 -1.14 115.64 111.82 1azs s THR 948 Ca -0.15 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.46 1azs s THR 948 Cb -0.09 -1.97 0.00 0.00 1.34 0.00 0.00 72.50 71.77 1azs s THR 948 CO -0.01 0.58 0.00 0.61 -0.54 0.00 0.00 174.62 175.26 1azs n GLY 949 N 2.36 1.45 0.09 3.99 0.00 -1.26 -1.32 105.19 110.50 1azs n GLY 949 Ca -0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 1azs n GLY 949 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1azs n LEU 950 N 0.00 0.62 -0.78 0.99 4.77 -1.26 -3.95 117.00 117.39 1azs n LEU 950 Ca 0.00 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1azs n LEU 950 Cb 0.00 0.22 0.06 0.00 -2.33 0.00 0.00 43.42 41.37 1azs n LEU 950 CO 0.00 0.34 0.38 -1.20 -1.33 0.00 0.00 177.39 175.59 1azs n SER 951 N -2.91 1.91 -1.52 -1.43 7.64 -1.26 -4.81 113.62 111.25 1azs n SER 951 Ca -0.19 -2.16 0.00 0.00 1.01 0.00 0.00 58.87 57.54 1azs n SER 951 Cb 1.01 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1azs n SER 951 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1azs n ALA 952 N 0.12 0.00 -0.08 -0.43 0.00 -1.25 -5.18 120.51 113.69 1azs n ALA 952 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.34 1azs n ALA 952 Cb 0.43 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.76 1azs n ALA 952 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1azs h ILE 953 N 0.24 1.58 0.00 0.00 5.03 -1.88 -3.52 117.51 118.96 1azs h ILE 953 Ca 0.00 -2.27 0.00 0.00 -0.12 0.00 0.00 64.86 62.47 1azs h ILE 953 Cb 0.00 3.07 0.00 0.00 -3.03 0.00 0.00 36.82 36.86 1azs h ILE 953 CO 0.00 0.53 0.00 0.54 -0.68 0.00 0.00 178.15 178.54 1azs n ARG 964 N -4.58 0.00 -0.06 2.37 1.74 -1.26 -5.03 116.66 109.84 1azs n ARG 964 Ca -0.14 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.84 1azs n ARG 964 Cb 0.50 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.91 1azs n ARG 964 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1azs h GLN 965 N 0.00 0.31 -0.62 5.56 4.15 -2.06 -3.17 115.11 119.28 1azs h GLN 965 Ca 0.00 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.33 1azs h GLN 965 Cb 0.00 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.61 1azs h GLN 965 CO 0.00 0.32 0.05 0.66 -1.93 0.00 0.00 178.83 177.94 1azs n TYR 966 N -4.85 2.15 0.31 3.99 4.01 -1.26 -4.49 117.16 117.02 1azs n TYR 966 Ca -0.03 -0.81 0.19 0.00 -0.16 0.00 0.00 57.90 57.09 1azs n TYR 966 Cb 0.10 -0.55 0.92 0.00 -0.31 0.00 0.00 39.34 39.50 1azs n TYR 966 CO 0.00 0.00 0.00 1.98 -0.46 0.00 0.00 176.86 178.38 1azs h MET 967 N 3.71 0.00 0.00 -0.72 1.85 -2.01 -2.50 114.93 115.26 1azs h MET 967 Ca 0.05 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.12 1azs h MET 967 Cb 2.05 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 34.07 1azs h MET 967 CO 0.54 0.00 -0.09 1.12 -0.40 0.00 0.00 176.91 178.08 1azs h HIS 968 N 0.00 0.00 -0.17 1.39 2.07 -1.85 -2.54 115.15 114.05 1azs h HIS 968 Ca 0.00 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.36 1azs h HIS 968 Cb 0.26 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.25 1azs h HIS 968 CO 0.00 0.09 -0.53 0.82 -3.07 0.00 0.00 177.93 175.23 1azs h ILE 969 N 0.00 1.32 -0.18 6.12 2.04 -1.80 -2.20 117.51 122.81 1azs h ILE 969 Ca -0.00 -1.78 -0.06 0.00 1.00 0.00 0.00 64.86 64.02 1azs h ILE 969 Cb 0.91 1.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 1azs h ILE 969 CO 0.01 0.55 -0.14 1.23 0.00 0.00 0.00 178.15 179.81 1azs h GLY 970 N 0.34 0.32 0.94 5.37 0.00 -1.59 -2.73 103.07 105.71 1azs h GLY 970 Ca -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 1azs h GLY 970 CO 0.11 0.19 0.14 -0.84 0.00 0.00 0.00 176.54 176.14 1azs h THR 971 N 0.28 1.20 -0.93 4.70 2.02 -1.27 -1.14 112.91 117.77 1azs h THR 971 Ca 0.05 -0.61 0.08 0.00 0.77 0.00 0.00 66.41 66.69 1azs h THR 971 Cb 0.42 0.90 -0.06 0.00 -1.74 0.00 0.00 68.15 67.66 1azs h THR 971 CO 0.02 0.22 0.60 -0.03 0.37 0.00 0.00 175.52 176.70 1azs h MET 972 N 0.46 0.99 -0.15 6.66 -1.53 -1.10 -0.70 114.93 119.56 1azs h MET 972 Ca 0.12 -0.06 -0.04 0.00 -3.44 0.00 0.00 59.70 56.28 1azs h MET 972 Cb 0.20 -0.22 -0.00 0.00 -0.55 0.00 0.00 31.60 31.03 1azs h MET 972 CO -0.01 0.66 -0.07 0.28 0.14 0.00 0.00 176.91 177.91 1azs h VAL 973 N 1.02 1.31 -0.50 -5.77 2.07 -1.25 -2.13 116.25 111.00 1azs h VAL 973 Ca 0.41 -1.10 0.11 0.00 0.82 0.00 0.00 66.70 66.94 1azs h VAL 973 Cb 0.26 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1azs h VAL 973 CO -0.16 0.32 0.34 -0.33 0.02 0.00 0.00 177.57 177.76 1azs h GLU 974 N -0.03 0.16 -0.25 1.57 4.39 -0.45 0.05 114.58 120.02 1azs h GLU 974 Ca 0.03 -0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.61 1azs h GLU 974 Cb 0.53 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1azs h GLU 974 CO 0.02 0.11 -0.30 0.35 -1.16 0.00 0.00 179.01 178.02 1azs h PHE 975 N 0.16 0.79 -0.43 4.33 3.57 -0.92 -1.47 116.94 122.97 1azs h PHE 975 Ca 0.23 -0.25 0.03 0.00 3.53 0.00 0.00 57.97 61.51 1azs h PHE 975 Cb 0.71 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1azs h PHE 975 CO -0.00 0.99 0.23 0.00 -2.23 0.00 0.00 178.31 177.30 1azs h ALA 976 N 0.67 0.54 -0.99 2.41 0.00 -0.33 -0.36 119.26 121.19 1azs h ALA 976 Ca 0.03 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1azs h ALA 976 Cb 0.88 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 1azs h ALA 976 CO 0.07 -0.11 0.65 1.88 0.00 0.00 0.00 179.25 181.74 1azs h TYR 977 N 0.46 1.23 -0.53 0.00 0.05 -1.35 -1.89 116.97 114.94 1azs h TYR 977 Ca 0.18 0.03 0.06 0.00 0.05 0.00 0.00 58.73 59.05 1azs h TYR 977 Cb 0.07 -0.41 -0.05 0.00 1.01 0.00 0.00 36.73 37.34 1azs h TYR 977 CO -0.09 0.74 0.25 0.00 -1.05 0.00 0.00 178.16 178.00 1azs h ALA 978 N 1.39 0.68 -0.47 3.88 0.00 -0.11 -1.89 119.26 122.74 1azs h ALA 978 Ca 0.38 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 1azs h ALA 978 Cb -0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1azs h ALA 978 CO -0.11 -0.12 0.25 -0.07 0.00 0.00 0.00 179.25 179.20 1azs h LEU 979 N 0.47 0.60 -0.55 0.00 3.38 -0.41 -2.20 115.31 116.60 1azs h LEU 979 Ca 0.24 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.19 1azs h LEU 979 Cb 0.19 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 1azs h LEU 979 CO -0.20 0.53 0.22 0.58 0.09 0.00 0.00 178.44 179.66 1azs h VAL 980 N 0.62 0.83 -0.90 1.22 2.07 -0.91 0.51 116.25 119.69 1azs h VAL 980 Ca 0.16 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1azs h VAL 980 Cb 0.07 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 1azs h VAL 980 CO -0.02 0.08 0.52 1.23 0.02 0.00 0.00 177.57 179.39 1azs h GLY 981 N 0.41 1.32 0.96 2.17 0.00 -1.03 -0.41 103.07 106.50 1azs h GLY 981 Ca 0.26 -0.58 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 1azs h GLY 981 CO -0.25 0.55 0.08 0.50 0.00 0.00 0.00 176.54 177.42 1azs h LYS 982 N 1.25 0.73 -0.34 4.80 1.79 -0.77 -2.56 116.57 121.46 1azs h LYS 982 Ca 0.32 -0.19 -0.05 0.00 -2.18 0.00 0.00 60.65 58.55 1azs h LYS 982 Cb -0.01 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.53 1azs h LYS 982 CO -0.06 0.75 -0.01 1.25 -1.08 0.00 0.00 179.45 180.31 1azs h LEU 983 N 0.59 0.50 -1.01 2.94 5.85 -0.44 -1.87 115.31 121.86 1azs h LEU 983 Ca 0.13 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1azs h LEU 983 Cb 0.37 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1azs h LEU 983 CO 0.01 0.57 -0.05 0.44 -0.34 0.00 0.00 178.44 179.07 1azs h ASP 984 N 0.51 0.63 -0.68 1.25 3.32 -0.95 -2.13 116.42 118.37 1azs h ASP 984 Ca 0.11 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1azs h ASP 984 Cb 0.34 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1azs h ASP 984 CO 0.01 0.73 0.13 0.00 -1.72 0.00 0.00 179.24 178.39 1azs h ALA 985 N 1.34 0.90 -0.29 3.45 0.00 -0.95 -2.32 119.26 121.40 1azs h ALA 985 Ca 0.12 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1azs h ALA 985 Cb 0.45 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1azs h ALA 985 CO 0.02 0.66 0.17 0.82 0.00 0.00 0.00 179.25 180.92 1azs h ILE 986 N 1.04 1.10 -0.47 0.00 1.08 -1.13 -2.97 117.51 116.16 1azs h ILE 986 Ca 0.21 -0.24 0.07 0.00 -0.39 0.00 0.00 64.86 64.51 1azs h ILE 986 Cb 0.42 0.74 -0.06 0.00 -3.07 0.00 0.00 36.82 34.86 1azs h ILE 986 CO 0.01 0.10 0.14 0.78 -0.69 0.00 0.00 178.15 178.49 1azs h ASN 987 N 0.37 0.11 -0.71 1.72 2.35 -1.16 0.16 115.58 118.43 1azs h ASN 987 Ca 0.10 0.07 0.16 0.00 -0.55 0.00 0.00 56.30 56.07 1azs h ASN 987 Cb 0.01 0.07 -0.13 0.00 0.05 0.00 0.00 38.32 38.32 1azs h ASN 987 CO -0.02 0.09 -0.03 0.50 -1.65 0.00 0.00 177.43 176.32 1azs h LYS 988 N 0.30 0.08 0.00 0.81 1.63 -1.27 -0.99 116.57 117.13 1azs h LYS 988 Ca 0.23 -0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.98 1azs h LYS 988 Cb 0.26 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 1azs h LYS 988 CO -0.25 0.05 -1.03 0.45 -3.45 0.00 0.00 179.45 175.22 1azs h HIS 989 N 0.08 0.00 -0.15 1.91 3.86 -1.27 -3.34 115.15 116.24 1azs h HIS 989 Ca 0.38 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 1azs h HIS 989 Cb 0.63 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.10 1azs h HIS 989 CO -0.44 0.15 0.00 -1.13 0.86 0.00 0.00 177.93 177.37 1azs n SER 990 N -2.77 3.11 -3.37 2.45 3.41 0.49 -4.95 113.62 112.00 1azs n SER 990 Ca -0.02 -1.98 -0.24 0.00 -0.26 0.00 0.00 58.87 56.36 1azs n SER 990 Cb 0.62 -0.09 0.01 0.00 -0.26 0.00 0.00 64.21 64.50 1azs n SER 990 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1azs n PHE 991 N 1.36 -1.92 -3.87 7.33 3.72 -0.41 -4.96 117.46 118.71 1azs n PHE 991 Ca 0.16 0.56 -0.02 0.00 -0.05 0.00 0.00 57.45 58.09 1azs n PHE 991 Cb 0.59 -3.52 -0.00 0.00 -0.94 0.00 0.00 39.48 35.61 1azs n PHE 991 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1azs n ASN 992 N -2.44 1.76 -2.88 4.37 2.85 -1.15 -5.08 115.26 112.69 1azs n ASN 992 Ca -0.03 -1.16 -0.13 0.00 -0.11 0.00 0.00 54.58 53.15 1azs n ASN 992 Cb 0.56 0.02 0.02 0.00 1.24 0.00 0.00 39.78 41.62 1azs n ASN 992 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1azs n ASP 993 N -1.37 -1.80 -4.74 1.20 2.03 -1.26 -4.72 116.55 105.89 1azs n ASP 993 Ca -0.01 -3.21 -0.41 0.00 0.52 0.00 0.00 54.79 51.68 1azs n ASP 993 Cb 0.05 1.09 -0.05 0.00 -0.72 0.00 0.00 41.12 41.49 1azs n ASP 993 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1azs s PHE 994 N -0.06 3.84 0.10 -0.67 0.08 -1.26 -5.02 117.98 114.99 1azs s PHE 994 Ca 0.32 1.79 0.06 0.00 0.12 0.00 0.00 56.93 59.21 1azs s PHE 994 Cb 0.24 -3.01 -0.04 0.00 -0.57 0.00 0.00 43.02 39.64 1azs s PHE 994 CO -0.17 0.27 -0.04 0.15 -0.10 0.00 0.00 175.22 175.33 1azs s LYS 995 N -0.25 2.38 -0.03 0.44 -0.14 -1.26 -4.84 119.74 116.05 1azs s LYS 995 Ca 0.45 -0.92 -0.06 0.00 -1.36 0.00 0.00 55.97 54.08 1azs s LYS 995 Cb -0.24 -2.45 -0.04 0.00 -1.68 0.00 0.00 37.83 33.42 1azs s LYS 995 CO 0.29 0.53 0.22 -1.17 -0.76 0.00 0.00 175.35 174.46 1azs s LEU 996 N -2.29 4.38 -0.16 3.17 2.96 -1.26 -4.34 118.68 121.14 1azs s LEU 996 Ca 0.24 0.49 0.01 0.00 -0.22 0.00 0.00 54.13 54.65 1azs s LEU 996 Cb -0.11 -2.49 0.02 0.00 0.50 0.00 0.00 46.19 44.11 1azs s LEU 996 CO 0.17 0.30 -0.17 -0.60 -1.32 0.00 0.00 176.35 174.73 1azs s ARG 997 N -1.58 2.62 0.04 1.98 3.52 0.13 -0.05 118.95 125.61 1azs s ARG 997 Ca 0.24 -0.69 0.09 0.00 -0.13 0.00 0.00 55.73 55.24 1azs s ARG 997 Cb -0.13 -2.31 -0.03 0.00 -1.56 0.00 0.00 34.95 30.93 1azs s ARG 997 CO 0.13 -0.21 -0.26 0.08 -0.81 0.00 0.00 175.30 174.23 1azs s VAL 998 N 1.35 2.11 -0.05 7.11 1.01 -0.91 -0.82 120.40 130.21 1azs s VAL 998 Ca 0.04 -1.37 -0.01 0.00 0.00 0.00 0.00 61.98 60.65 1azs s VAL 998 Cb -0.13 -1.80 0.03 0.00 0.00 0.00 0.00 36.38 34.47 1azs s VAL 998 CO -0.11 0.37 0.00 -0.83 0.00 0.00 0.00 175.10 174.54 1azs s GLY 999 N -1.20 0.37 0.04 4.51 0.00 -0.37 -1.14 107.32 109.54 1azs s GLY 999 Ca 0.11 0.01 0.08 0.00 0.00 0.00 0.00 44.72 44.92 1azs s GLY 999 CO 0.02 0.90 -0.21 -0.42 0.00 0.00 0.00 173.10 173.38 1azs s ILE 1000N 1.54 1.73 0.05 0.90 1.01 -0.71 -1.77 121.20 123.95 1azs s ILE 1000Ca -0.02 -1.22 -0.19 0.00 0.00 0.00 0.00 60.65 59.22 1azs s ILE 1000Cb -0.13 -1.50 0.04 0.00 0.01 0.00 0.00 42.46 40.88 1azs s ILE 1000CO -0.03 0.23 0.44 0.21 0.00 0.00 0.00 174.94 175.78 1azs s ASN 1001N -1.18 -0.32 0.05 3.58 3.04 -0.90 -3.77 114.94 115.44 1azs s ASN 1001Ca 0.08 0.01 0.03 0.00 0.04 0.00 0.00 52.86 53.02 1azs s ASN 1001Cb -0.09 0.45 -0.03 0.00 -1.54 0.00 0.00 41.25 40.04 1azs s ASN 1001CO 0.02 -0.70 -0.10 -1.38 -3.04 0.00 0.00 177.10 171.90 1azs s HIS 1002N -2.62 0.86 -5.00 0.43 -3.43 -1.26 -0.84 115.29 103.44 1azs s HIS 1002Ca -0.04 -0.50 0.00 0.00 -0.80 0.00 0.00 55.06 53.72 1azs s HIS 1002Cb -0.01 -0.50 0.00 0.00 -1.43 0.00 0.00 32.58 30.64 1azs s HIS 1002CO -0.03 -0.04 0.00 0.41 -2.00 0.00 0.00 174.74 173.08 1azs n GLY 1003N 1.36 -1.66 3.73 -1.38 0.00 -0.82 -4.92 105.19 101.50 1azs n GLY 1003Ca -0.22 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 1azs n GLY 1003CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1azs s PRO 1004N -1.99 4.28 0.32 1.61 0.04 -1.14 -1.87 135.00 136.25 1azs s PRO 1004Ca 0.00 2.24 0.03 0.00 0.04 0.00 0.00 61.00 63.31 1azs s PRO 1004Cb 0.00 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 1azs s PRO 1004CO 0.00 -0.45 0.14 0.14 0.04 0.00 0.00 177.00 176.87 1azs s VAL 1005N 0.49 0.50 -0.17 -0.36 -7.23 -1.13 -4.32 120.40 108.18 1azs s VAL 1005Ca 0.63 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.79 1azs s VAL 1005Cb -0.41 -2.53 0.04 0.00 0.56 0.00 0.00 36.38 34.04 1azs s VAL 1005CO 0.37 0.00 -0.07 -0.63 -0.31 0.00 0.00 175.10 174.46 1azs s ILE 1006N -3.52 1.28 0.26 -0.62 1.01 -0.50 -1.05 121.20 118.06 1azs s ILE 1006Ca 0.34 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 60.29 1azs s ILE 1006Cb 0.05 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 1azs s ILE 1006CO 0.16 0.16 0.41 0.00 0.00 0.00 0.00 174.94 175.68 1azs s ALA 1007N 1.56 3.85 0.00 9.38 0.00 -0.50 -0.20 121.76 135.85 1azs s ALA 1007Ca 0.01 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1azs s ALA 1007Cb -0.15 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.09 1azs s ALA 1007CO -0.08 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.31 1azs n GLY 1008N -1.32 -1.52 3.87 0.00 0.00 -0.62 -3.00 105.19 102.60 1azs n GLY 1008Ca -0.07 -1.35 -0.32 0.00 0.00 0.00 0.00 46.02 44.28 1azs n GLY 1008CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1azs s VAL 1009N -2.53 5.17 0.10 1.61 1.01 -1.26 -0.04 120.40 124.45 1azs s VAL 1009Ca 0.00 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.60 1azs s VAL 1009Cb 0.00 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1azs s VAL 1009CO 0.00 0.21 -0.07 -0.51 0.00 0.00 0.00 175.10 174.73 1azs s ILE 1010N -1.40 0.73 0.00 2.22 2.07 -1.03 -4.94 121.20 118.85 1azs s ILE 1010Ca 0.30 -1.89 0.00 0.00 -1.41 0.00 0.00 60.65 57.66 1azs s ILE 1010Cb -0.13 -1.62 0.00 0.00 0.13 0.00 0.00 42.46 40.84 1azs s ILE 1010CO 0.23 -0.83 0.00 0.61 -1.91 0.00 0.00 174.94 173.04 1azs n GLY 1011N 0.05 -2.64 0.13 1.50 0.00 -1.26 -3.09 105.19 99.88 1azs n GLY 1011Ca -0.13 -1.30 -0.22 0.00 0.00 0.00 0.00 46.02 44.38 1azs n GLY 1011CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1azs h ALA 1012N 0.00 0.04 -3.00 4.61 0.00 -2.01 -3.38 119.26 115.52 1azs h ALA 1012Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1azs h ALA 1012Cb 0.00 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1azs h ALA 1012CO 0.00 0.70 0.00 1.04 0.00 0.00 0.00 179.25 180.99 1azs n GLN 1013N -3.91 0.00 -3.51 0.00 1.13 -1.26 -4.49 117.38 105.34 1azs n GLN 1013Ca -0.20 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.44 1azs n GLN 1013Cb 0.93 -0.50 -0.05 0.00 0.11 0.00 0.00 30.24 30.73 1azs n GLN 1013CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1azs s LYS 1014N -0.05 3.37 -0.27 -1.09 -2.85 -1.26 -5.05 119.74 112.54 1azs s LYS 1014Ca 0.00 -2.81 -0.39 0.00 -1.00 0.00 0.00 55.97 51.77 1azs s LYS 1014Cb 0.00 -4.16 -0.15 0.00 -2.06 0.00 0.00 37.83 31.46 1azs s LYS 1014CO 0.00 -1.24 1.80 -2.30 0.10 0.00 0.00 175.35 173.71 1azs n PRO 1015N 3.23 1.25 -4.70 1.78 -0.02 -1.26 -4.95 135.00 130.33 1azs n PRO 1015Ca 0.16 0.45 -0.24 0.00 -2.02 0.00 0.00 63.50 61.85 1azs n PRO 1015Cb 0.41 -2.18 -0.16 0.00 -0.02 0.00 0.00 33.50 31.55 1azs n PRO 1015CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1azs s GLN 1016N 3.86 1.56 -0.04 -0.52 -0.21 -1.18 -4.91 119.66 118.22 1azs s GLN 1016Ca 0.99 -0.51 -0.30 0.00 0.02 0.00 0.00 55.36 55.56 1azs s GLN 1016Cb -1.02 -1.37 -0.05 0.00 1.00 0.00 0.00 33.01 31.57 1azs s GLN 1016CO 0.63 0.19 1.57 -0.47 -2.12 0.00 0.00 175.29 175.09 1azs s TYR 1017N 0.14 2.26 0.07 0.91 5.04 -1.26 -2.46 117.35 122.05 1azs s TYR 1017Ca -0.05 0.39 0.00 0.00 -2.44 0.00 0.00 57.07 54.98 1azs s TYR 1017Cb -0.11 -3.84 -0.04 0.00 0.35 0.00 0.00 41.96 38.32 1azs s TYR 1017CO 0.02 -3.41 -0.05 0.34 -1.34 0.00 0.00 175.55 171.11 1azs s ASP 1018N 2.85 0.78 0.10 4.32 2.15 0.95 -4.95 116.67 122.87 1azs s ASP 1018Ca 0.70 -0.97 0.09 0.00 0.43 0.00 0.00 52.55 52.81 1azs s ASP 1018Cb -0.33 0.14 -0.04 0.00 -0.30 0.00 0.00 42.92 42.40 1azs s ASP 1018CO 0.28 -0.51 -0.22 0.27 -0.17 0.00 0.00 175.17 174.81 1azs s ILE 1019N -3.60 2.55 0.17 4.11 -4.36 -1.26 -1.59 121.20 117.21 1azs s ILE 1019Ca 0.08 -1.53 0.05 0.00 -0.26 0.00 0.00 60.65 58.98 1azs s ILE 1019Cb 0.05 -2.12 -0.05 0.00 1.25 0.00 0.00 42.46 41.59 1azs s ILE 1019CO -0.07 0.16 -0.10 0.26 0.24 0.00 0.00 174.94 175.43 1azs s TRP 1020N -1.04 1.38 0.00 1.37 0.51 0.72 -4.95 118.94 116.93 1azs s TRP 1020Ca 0.15 -0.73 0.00 0.00 -2.12 0.00 0.00 56.10 53.40 1azs s TRP 1020Cb -0.10 -0.70 0.00 0.00 -0.81 0.00 0.00 33.47 31.86 1azs s TRP 1020CO 0.07 0.13 0.00 0.41 -0.51 0.00 0.00 176.95 177.05 1azs n GLY 1021N -0.25 4.31 0.37 0.98 0.00 -1.26 -1.41 105.19 107.92 1azs n GLY 1021Ca -0.09 -1.51 0.10 0.00 0.00 0.00 0.00 46.02 44.52 1azs n GLY 1021CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1azs h ASN 1022N 0.00 0.72 -0.92 1.61 -0.73 -2.01 -0.76 115.58 113.50 1azs h ASN 1022Ca 0.00 0.04 0.18 0.00 1.87 0.00 0.00 56.30 58.38 1azs h ASN 1022Cb 0.00 -0.11 -0.08 0.00 0.27 0.00 0.00 38.32 38.41 1azs h ASN 1022CO 0.00 0.38 0.59 0.74 -0.37 0.00 0.00 177.43 178.77 1azs h THR 1023N 0.77 0.75 0.25 -3.57 2.02 -1.90 -1.35 112.91 109.88 1azs h THR 1023Ca 0.45 -0.20 -0.34 0.00 0.77 0.00 0.00 66.41 67.09 1azs h THR 1023Cb 0.62 0.11 0.04 0.00 -1.74 0.00 0.00 68.15 67.17 1azs h THR 1023CO -0.21 0.11 -1.49 0.58 0.37 0.00 0.00 175.52 174.88 1azs h VAL 1024N 0.59 1.28 -0.28 3.16 2.07 -1.46 -3.02 116.25 118.58 1azs h VAL 1024Ca 0.48 -2.71 0.00 0.00 0.82 0.00 0.00 66.70 65.29 1azs h VAL 1024Cb 0.94 3.04 -0.01 0.00 -1.52 0.00 0.00 31.29 33.73 1azs h VAL 1024CO -0.22 0.81 0.18 0.78 0.02 0.00 0.00 177.57 179.14 1azs h ASN 1025N 0.15 0.34 -0.54 0.57 2.35 -1.19 -1.79 115.58 115.47 1azs h ASN 1025Ca -0.26 -0.04 0.04 0.00 -0.55 0.00 0.00 56.30 55.49 1azs h ASN 1025Cb 2.17 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 40.41 1azs h ASN 1025CO 0.27 0.27 0.30 0.58 -1.65 0.00 0.00 177.43 177.21 1azs h VAL 1026N 0.37 1.01 -0.96 2.81 2.07 -1.37 -0.69 116.25 119.48 1azs h VAL 1026Ca 0.10 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.49 1azs h VAL 1026Cb -0.01 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.07 1azs h VAL 1026CO -0.02 0.11 0.62 0.00 0.02 0.00 0.00 177.57 178.30 1azs h ALA 1027N 1.26 1.46 -0.44 1.67 0.00 -1.37 -0.31 119.26 121.53 1azs h ALA 1027Ca 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1azs h ALA 1027Cb 0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1azs h ALA 1027CO -0.13 0.40 0.23 1.03 0.00 0.00 0.00 179.25 180.77 1azs h SER 1028N 1.11 0.56 0.42 0.00 0.87 -0.38 -2.58 113.55 113.55 1azs h SER 1028Ca 0.42 -0.11 -0.08 0.00 -1.23 0.00 0.00 61.79 60.79 1azs h SER 1028Cb 0.19 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1azs h SER 1028CO -0.16 0.51 -0.38 0.03 -0.53 0.00 0.00 176.83 176.30 1azs h ARG 1029N 0.57 0.00 -0.44 2.24 2.47 -0.20 -0.71 114.38 118.30 1azs h ARG 1029Ca 0.15 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.84 1azs h ARG 1029Cb 0.09 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.38 1azs h ARG 1029CO -0.02 0.38 0.13 0.52 0.56 0.00 0.00 179.97 181.53 1azs h MET 1030N 0.00 0.64 0.29 0.04 2.86 -0.71 -1.07 114.93 116.98 1azs h MET 1030Ca -0.00 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1azs h MET 1030Cb 0.69 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.24 1azs h MET 1030CO 0.05 0.57 -0.14 0.22 1.06 0.00 0.00 176.91 178.67 1azs h ASP 1031N 0.63 -0.33 -0.31 1.22 3.58 -1.09 -2.71 116.42 117.41 1azs h ASP 1031Ca 0.15 0.01 0.09 0.00 0.42 0.00 0.00 57.03 57.70 1azs h ASP 1031Cb 0.20 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 1azs h ASP 1031CO -0.01 0.09 0.31 0.77 -2.88 0.00 0.00 179.24 177.53 1azs h SER 1032N -1.04 0.00 -0.28 2.28 4.64 -1.02 0.35 113.55 118.47 1azs h SER 1032Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1azs h SER 1032Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1azs h SER 1032CO 0.07 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.38 1azs n THR 1033N -3.83 0.60 -1.43 2.95 -2.24 -0.42 -5.02 114.28 104.89 1azs n THR 1033Ca 0.05 -0.80 -0.21 0.00 -2.27 0.00 0.00 64.05 60.82 1azs n THR 1033Cb 0.47 0.82 0.15 0.00 -2.10 0.00 0.00 70.33 69.67 1azs n THR 1033CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1azs n GLY 1034N 0.83 -1.76 3.50 3.38 0.00 0.12 -5.03 105.19 106.23 1azs n GLY 1034Ca 0.13 -1.64 -0.27 0.00 0.00 0.00 0.00 46.02 44.24 1azs n GLY 1034CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1azs s VAL 1035N -2.85 2.76 0.50 1.61 1.01 -1.26 -5.05 120.40 117.12 1azs s VAL 1035Ca 0.52 -1.88 -0.23 0.00 0.00 0.00 0.00 61.98 60.38 1azs s VAL 1035Cb -0.02 -2.36 -0.07 0.00 0.00 0.00 0.00 36.38 33.93 1azs s VAL 1035CO 0.37 -0.13 1.38 -0.76 0.00 0.00 0.00 175.10 175.96 1azs s LEU 1036N -2.81 3.99 -1.39 3.92 1.43 -1.26 -2.49 118.68 120.07 1azs s LEU 1036Ca 0.23 2.82 0.00 0.00 -1.03 0.00 0.00 54.13 56.15 1azs s LEU 1036Cb -0.08 -4.11 0.00 0.00 0.03 0.00 0.00 46.19 42.03 1azs s LEU 1036CO 0.13 -1.35 0.00 0.47 0.23 0.00 0.00 176.35 175.83 1azs n ASP 1037N -0.60 -4.42 -4.10 2.29 9.92 0.93 -4.96 116.55 115.60 1azs n ASP 1037Ca 0.08 0.19 -0.20 0.00 -0.53 0.00 0.00 54.79 54.33 1azs n ASP 1037Cb 0.44 -3.81 -0.14 0.00 -0.64 0.00 0.00 41.12 36.97 1azs n ASP 1037CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1azs s LYS 1038N -4.55 0.91 -0.31 -1.24 -0.14 -1.04 -5.05 119.74 108.32 1azs s LYS 1038Ca 0.00 -0.61 -0.10 0.00 -1.36 0.00 0.00 55.97 53.90 1azs s LYS 1038Cb 0.00 -0.89 -0.01 0.00 -1.68 0.00 0.00 37.83 35.25 1azs s LYS 1038CO 0.00 0.23 0.16 0.42 -0.76 0.00 0.00 175.35 175.40 1azs s ILE 1039N -0.63 4.71 -0.22 2.17 1.01 -1.26 -2.14 121.20 124.85 1azs s ILE 1039Ca 0.02 -0.34 -0.10 0.00 0.00 0.00 0.00 60.65 60.23 1azs s ILE 1039Cb -0.06 -3.38 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 1azs s ILE 1039CO 0.00 0.08 0.14 -1.58 0.00 0.00 0.00 174.94 173.59 1azs s GLN 1040N 1.64 4.09 0.13 2.79 0.74 -0.29 -1.73 119.66 127.03 1azs s GLN 1040Ca 0.05 -0.26 0.07 0.00 0.05 0.00 0.00 55.36 55.27 1azs s GLN 1040Cb -0.17 -3.46 -0.04 0.00 1.10 0.00 0.00 33.01 30.44 1azs s GLN 1040CO 0.07 0.16 -0.18 0.14 -0.55 0.00 0.00 175.29 174.94 1azs s VAL 1041N 0.75 1.60 0.97 1.34 -7.23 0.20 -1.74 120.40 116.29 1azs s VAL 1041Ca 0.07 -1.70 -0.12 0.00 -1.81 0.00 0.00 61.98 58.42 1azs s VAL 1041Cb -0.13 -1.61 0.17 0.00 0.56 0.00 0.00 36.38 35.38 1azs s VAL 1041CO 0.02 -0.26 1.11 0.42 -0.31 0.00 0.00 175.10 176.08 1azs s THR 1042N -1.73 2.05 0.12 5.32 -4.23 -1.25 -1.15 115.64 114.77 1azs s THR 1042Ca 0.10 0.02 -0.20 0.00 -1.18 0.00 0.00 61.69 60.42 1azs s THR 1042Cb -0.07 -2.60 -0.08 0.00 1.34 0.00 0.00 72.50 71.09 1azs s THR 1042CO 0.05 -0.02 1.76 -0.08 -0.54 0.00 0.00 174.62 175.78 1azs h GLU 1043N -1.76 0.16 -0.30 3.99 4.81 -1.93 0.18 114.58 119.72 1azs h GLU 1043Ca -0.53 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 58.65 1azs h GLU 1043Cb 1.33 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 1azs h GLU 1043CO 0.59 0.11 0.05 0.93 -0.73 0.00 0.00 179.01 179.95 1azs h GLU 1044N 0.16 0.50 -0.94 1.92 3.07 -1.93 0.41 114.58 117.78 1azs h GLU 1044Ca 0.06 -0.14 0.08 0.00 -0.50 0.00 0.00 59.36 58.86 1azs h GLU 1044Cb 0.01 -0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 27.80 1azs h GLU 1044CO -0.04 0.60 0.61 1.15 -1.40 0.00 0.00 179.01 179.93 1azs h THR 1045N 0.32 1.04 -0.06 1.13 2.02 -1.89 -0.74 112.91 114.72 1azs h THR 1045Ca 0.09 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1azs h THR 1045Cb 0.35 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.67 1azs h THR 1045CO 0.01 0.19 0.03 -1.28 0.37 0.00 0.00 175.52 174.83 1azs h SER 1046N 1.03 0.05 -0.22 4.18 0.87 0.15 -1.72 113.55 117.89 1azs h SER 1046Ca 0.42 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 61.03 1azs h SER 1046Cb 0.27 -0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.16 1azs h SER 1046CO -0.17 0.04 -0.15 -0.07 -0.53 0.00 0.00 176.83 175.94 1azs h LEU 1047N 0.07 -0.50 -0.32 2.23 3.38 0.48 -2.18 115.31 118.47 1azs h LEU 1047Ca 0.02 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1azs h LEU 1047Cb 0.00 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1azs h LEU 1047CO -0.01 -0.19 0.20 0.40 0.09 0.00 0.00 178.44 178.92 1azs h ILE 1048N -0.15 1.10 -0.10 1.22 2.04 -1.25 -2.58 117.51 117.81 1azs h ILE 1048Ca 0.13 -0.23 0.03 0.00 1.00 0.00 0.00 64.86 65.78 1azs h ILE 1048Cb 0.34 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1azs h ILE 1048CO -0.31 0.10 0.10 -0.07 0.00 0.00 0.00 178.15 177.97 1azs h LEU 1049N 0.41 0.00 -0.18 1.44 3.38 -0.72 -0.12 115.31 119.52 1azs h LEU 1049Ca 0.11 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.87 1azs h LEU 1049Cb -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1azs h LEU 1049CO -0.02 0.00 -0.95 1.56 0.09 0.00 0.00 178.44 179.12 1azs h GLN 1050N 0.00 0.25 0.00 1.13 4.20 -1.02 -1.74 115.11 117.94 1azs h GLN 1050Ca 0.05 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.43 1azs h GLN 1050Cb 0.25 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 1azs h GLN 1050CO -0.00 1.03 -0.14 1.79 -0.67 0.00 0.00 178.83 180.85 1azs h THR 1051N 0.13 0.59 -0.00 -0.54 1.35 -0.91 -1.58 112.91 111.95 1azs h THR 1051Ca -0.06 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 1azs h THR 1051Cb 1.60 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 1azs h THR 1051CO 0.15 0.14 -0.42 0.18 -0.25 0.00 0.00 175.52 175.31 1azs n LEU 1052N -3.63 0.45 0.00 3.87 4.77 -1.03 -4.96 117.00 116.46 1azs n LEU 1052Ca -0.02 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1azs n LEU 1052Cb 0.26 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1azs n LEU 1052CO 0.31 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1azs n GLY 1053N 1.49 1.31 3.85 -0.72 0.00 -0.59 -5.10 105.19 105.43 1azs n GLY 1053Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 1azs n GLY 1053CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1azs s TYR 1054N -2.00 3.27 0.13 1.61 1.51 -0.68 -5.01 117.35 116.18 1azs s TYR 1054Ca 0.00 0.04 0.06 0.00 -1.01 0.00 0.00 57.07 56.16 1azs s TYR 1054Cb 0.00 -1.57 -0.04 0.00 -0.11 0.00 0.00 41.96 40.24 1azs s TYR 1054CO 0.00 0.52 -0.02 0.95 -1.11 0.00 0.00 175.55 175.89 1azs s THR 1055N -1.73 3.74 0.10 -0.71 -4.23 -1.26 -3.91 115.64 107.63 1azs s THR 1055Ca 0.32 -1.26 0.04 0.00 -1.18 0.00 0.00 61.69 59.62 1azs s THR 1055Cb -0.10 -2.82 -0.04 0.00 1.34 0.00 0.00 72.50 70.88 1azs s THR 1055CO 0.25 0.01 -0.11 0.00 -0.54 0.00 0.00 174.62 174.23 1azs s THR 1057N -2.23 1.47 -0.07 0.00 2.01 -0.43 -4.92 115.64 111.48 1azs s THR 1057Ca 0.05 -0.71 -0.30 0.00 0.31 0.00 0.00 61.69 61.04 1azs s THR 1057Cb -0.04 -1.28 -0.06 0.00 0.01 0.00 0.00 72.50 71.13 1azs s THR 1057CO 0.01 0.43 1.76 0.00 -0.69 0.00 0.00 174.62 176.12 1azs h ARG 1059N 10.29 0.93 0.00 0.00 1.12 -1.15 -3.47 114.38 122.11 1azs h ARG 1059Ca -0.41 -0.48 0.00 0.00 -1.11 0.00 0.00 59.98 57.98 1azs h ARG 1059Cb 1.19 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.16 1azs h ARG 1059CO 0.96 1.14 0.00 0.41 -3.11 0.00 0.00 179.97 179.36 1azs n GLY 1060N 0.10 0.53 3.38 2.80 0.00 -1.24 -5.02 105.19 105.74 1azs n GLY 1060Ca -0.02 -1.37 -0.28 0.00 0.00 0.00 0.00 46.02 44.35 1azs n GLY 1060CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1azs s ILE 1061N -4.00 2.18 -0.02 -0.61 1.09 -1.26 -2.04 121.20 116.54 1azs s ILE 1061Ca 0.00 -1.77 0.01 0.00 -1.10 0.00 0.00 60.65 57.79 1azs s ILE 1061Cb 0.00 -1.95 0.01 0.00 -1.06 0.00 0.00 42.46 39.46 1azs s ILE 1061CO 0.00 0.03 -0.04 -0.63 -0.10 0.00 0.00 174.94 174.21 1azs s ILE 1062N -1.18 0.36 -0.35 2.92 1.01 -0.08 -4.92 121.20 118.97 1azs s ILE 1062Ca 0.14 -0.11 -0.22 0.00 0.00 0.00 0.00 60.65 60.46 1azs s ILE 1062Cb -0.10 -0.36 0.00 0.00 0.01 0.00 0.00 42.46 42.02 1azs s ILE 1062CO 0.06 0.14 0.70 0.21 0.00 0.00 0.00 174.94 176.05 1azs s ASN 1063N 0.38 6.49 -0.20 3.58 3.84 -1.26 -0.28 114.94 127.50 1azs s ASN 1063Ca -0.04 0.28 -0.17 0.00 0.21 0.00 0.00 52.86 53.14 1azs s ASN 1063Cb -0.08 -2.36 -0.04 0.00 -0.55 0.00 0.00 41.25 38.23 1azs s ASN 1063CO -0.00 -0.63 0.44 -0.69 -2.79 0.00 0.00 177.10 173.42 1azs s VAL 1064N 2.86 5.17 -0.51 -5.21 1.01 0.10 -4.96 120.40 118.87 1azs s VAL 1064Ca 0.27 0.79 -0.29 0.00 0.00 0.00 0.00 61.98 62.75 1azs s VAL 1064Cb -0.14 -3.76 -0.10 0.00 0.00 0.00 0.00 36.38 32.37 1azs s VAL 1064CO 0.15 0.24 2.39 1.17 0.00 0.00 0.00 175.10 179.04 1azs n LYS 1065N 4.51 0.99 0.00 2.72 4.81 -1.26 -1.55 118.16 128.38 1azs n LYS 1065Ca -0.07 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 1azs n LYS 1065Cb 0.51 -2.83 0.00 0.00 0.02 0.00 0.00 35.03 32.73 1azs n LYS 1065CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1azs n GLY 1066N 6.20 2.26 0.08 3.14 0.00 -1.26 -4.84 105.19 110.77 1azs n GLY 1066Ca 0.42 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.45 1azs n GLY 1066CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1azs n LYS 1067N -1.85 -0.39 0.00 1.61 4.81 -0.63 -5.12 118.16 116.59 1azs n LYS 1067Ca 0.00 -0.59 0.00 0.00 -0.87 0.00 0.00 58.31 56.85 1azs n LYS 1067Cb 0.00 -1.02 0.00 0.00 0.02 0.00 0.00 35.03 34.03 1azs n LYS 1067CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1azs n GLY 1068N 0.16 -0.87 3.85 3.14 0.00 -0.59 -4.86 105.19 106.02 1azs n GLY 1068Ca 0.01 -1.18 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 1azs n GLY 1068CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1azs s ASP 1069N -4.00 6.55 -0.18 1.61 1.01 -1.26 0.00 116.67 120.41 1azs s ASP 1069Ca 0.00 1.51 -0.28 0.00 0.71 0.00 0.00 52.55 54.49 1azs s ASP 1069Cb 0.00 -2.49 0.09 0.00 1.01 0.00 0.00 42.92 41.53 1azs s ASP 1069CO 0.00 -0.61 0.79 -1.48 0.21 0.00 0.00 175.17 174.08 1azs s LEU 1070N -4.23 -0.62 0.07 1.23 0.05 0.62 -4.89 118.68 110.92 1azs s LEU 1070Ca 0.58 0.95 -0.24 0.00 0.05 0.00 0.00 54.13 55.47 1azs s LEU 1070Cb -0.10 2.32 -0.06 0.00 -2.05 0.00 0.00 46.19 46.30 1azs s LEU 1070CO 0.35 -0.38 0.72 -0.75 -0.55 0.00 0.00 176.35 175.74 1azs s LYS 1071N -0.43 4.45 0.28 1.48 2.20 -1.26 -0.90 119.74 125.56 1azs s LYS 1071Ca -0.04 1.00 0.05 0.00 -0.36 0.00 0.00 55.97 56.62 1azs s LYS 1071Cb -0.03 -3.32 -0.06 0.00 -1.51 0.00 0.00 37.83 32.91 1azs s LYS 1071CO 0.03 0.41 -0.01 0.95 -0.36 0.00 0.00 175.35 176.37 1azs s THR 1072N -0.45 1.35 0.05 3.43 -4.23 -0.87 -3.39 115.64 111.52 1azs s THR 1072Ca 0.36 -2.06 -0.00 0.00 -1.18 0.00 0.00 61.69 58.80 1azs s THR 1072Cb -0.21 -2.52 -0.03 0.00 1.34 0.00 0.00 72.50 71.08 1azs s THR 1072CO 0.22 -0.22 -0.04 -0.31 -0.54 0.00 0.00 174.62 173.74 1azs s TYR 1073N -3.20 0.51 -0.09 3.99 1.51 -0.30 -0.58 117.35 119.18 1azs s TYR 1073Ca 0.31 -0.87 -0.00 0.00 -1.01 0.00 0.00 57.07 55.50 1azs s TYR 1073Cb 0.06 -0.35 -0.03 0.00 -0.11 0.00 0.00 41.96 41.53 1azs s TYR 1073CO 0.12 -0.28 -0.07 -0.06 -1.11 0.00 0.00 175.55 174.15 1azs s PHE 1074N -3.04 2.95 0.42 2.71 0.08 0.24 -0.63 117.98 120.71 1azs s PHE 1074Ca 0.00 -0.10 -0.22 0.00 0.12 0.00 0.00 56.93 56.73 1azs s PHE 1074Cb 0.02 -1.78 -0.10 0.00 -0.57 0.00 0.00 43.02 40.59 1azs s PHE 1074CO -0.06 0.21 1.00 0.08 -0.10 0.00 0.00 175.22 176.35 1azs s VAL 1075N -0.46 4.01 0.09 -0.44 1.01 -0.71 -1.31 120.40 122.59 1azs s VAL 1075Ca 0.07 1.38 0.02 0.00 0.00 0.00 0.00 61.98 63.44 1azs s VAL 1075Cb -0.12 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1azs s VAL 1075CO 0.02 -0.15 0.17 0.20 0.00 0.00 0.00 175.10 175.35 1azs s ASN 1076N -1.88 5.99 0.00 3.32 0.01 -0.50 -4.70 114.94 117.18 1azs s ASN 1076Ca 0.61 0.12 0.04 0.00 -0.71 0.00 0.00 52.86 52.91 1azs s ASN 1076Cb -0.16 -1.74 0.03 0.00 0.41 0.00 0.00 41.25 39.80 1azs s ASN 1076CO 0.20 0.14 0.63 0.41 -1.51 0.00 0.00 177.10 176.97