#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cul s HIS 879 N 0.00 3.53 0.01 2.98 3.76 -1.26 -4.52 115.29 119.79 1cul s HIS 879 Ca 0.00 0.50 0.01 0.00 -0.15 0.00 0.00 55.06 55.42 1cul s HIS 879 Cb 0.00 -1.95 -0.01 0.00 1.11 0.00 0.00 32.58 31.74 1cul s HIS 879 CO 0.00 0.55 -0.05 -1.14 -0.85 0.00 0.00 174.74 173.26 1cul s GLN 880 N -2.19 0.36 0.24 1.40 0.74 -0.39 -5.01 119.66 114.80 1cul s GLN 880 Ca 0.33 -0.27 -0.10 0.00 0.05 0.00 0.00 55.36 55.37 1cul s GLN 880 Cb -0.13 -0.29 -0.07 0.00 1.10 0.00 0.00 33.01 33.62 1cul s GLN 880 CO 0.21 0.07 0.57 0.45 -0.55 0.00 0.00 175.29 176.05 1cul s SER 881 N -0.41 6.64 0.11 6.67 0.15 -1.26 -1.23 113.70 124.38 1cul s SER 881 Ca -0.01 0.96 0.05 0.00 0.70 0.00 0.00 55.95 57.65 1cul s SER 881 Cb -0.03 -2.24 -0.04 0.00 -1.71 0.00 0.00 66.02 62.00 1cul s SER 881 CO -0.00 -0.09 -0.13 -0.31 1.20 0.00 0.00 173.24 173.91 1cul s TYR 882 N -1.84 1.33 -0.11 3.44 1.51 -0.01 -4.93 117.35 116.74 1cul s TYR 882 Ca 0.48 -0.57 0.11 0.00 -1.01 0.00 0.00 57.07 56.09 1cul s TYR 882 Cb -0.11 -0.70 -0.16 0.00 -0.11 0.00 0.00 41.96 40.88 1cul s TYR 882 CO 0.21 0.11 0.07 -0.25 -1.11 0.00 0.00 175.55 174.58 1cul n ASP 883 N 0.59 1.91 -3.25 2.29 8.00 -1.26 -2.69 116.55 122.13 1cul n ASP 883 Ca -0.16 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.16 1cul n ASP 883 Cb 0.57 0.88 -0.07 0.00 -0.02 0.00 0.00 41.12 42.48 1cul n ASP 883 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cul s VAL 885 N 0.87 2.41 -0.34 0.00 1.01 -0.51 -4.74 120.40 119.09 1cul s VAL 885 Ca 0.25 -0.95 -0.14 0.00 0.00 0.00 0.00 61.98 61.14 1cul s VAL 885 Cb -0.06 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 1cul s VAL 885 CO -0.08 0.57 0.32 0.00 0.00 0.00 0.00 175.10 175.91 1cul s VAL 887 N 1.91 5.27 -0.02 0.00 1.01 0.86 -1.89 120.40 127.53 1cul s VAL 887 Ca 0.10 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1cul s VAL 887 Cb -0.17 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 32.86 1cul s VAL 887 CO 0.11 0.49 -0.06 -0.32 0.00 0.00 0.00 175.10 175.32 1cul s MET 888 N -1.40 0.63 -0.16 2.72 1.75 -0.19 -1.95 119.30 120.70 1cul s MET 888 Ca 0.20 -0.18 0.01 0.00 -1.25 0.00 0.00 55.69 54.47 1cul s MET 888 Cb -0.12 -0.63 0.02 0.00 2.84 0.00 0.00 34.83 36.94 1cul s MET 888 CO 0.10 0.05 -0.18 -0.06 -0.65 0.00 0.00 175.02 174.28 1cul s PHE 889 N 0.27 2.50 -0.31 4.11 0.40 -0.31 -1.66 117.98 123.00 1cul s PHE 889 Ca -0.03 -1.40 0.03 0.00 -0.60 0.00 0.00 56.93 54.93 1cul s PHE 889 Cb -0.07 -1.76 0.08 0.00 0.51 0.00 0.00 43.02 41.78 1cul s PHE 889 CO -0.00 -0.70 -0.01 0.00 0.70 0.00 0.00 175.22 175.21 1cul s ALA 890 N 1.23 2.68 0.38 5.36 0.00 -0.06 -0.67 121.76 130.69 1cul s ALA 890 Ca 0.02 -2.18 0.02 0.00 0.00 0.00 0.00 51.96 49.82 1cul s ALA 890 Cb -0.14 -1.80 -0.01 0.00 0.00 0.00 0.00 23.12 21.17 1cul s ALA 890 CO -0.09 -1.50 0.57 -1.12 0.00 0.00 0.00 175.76 173.62 1cul s SER 891 N 1.02 5.99 -0.53 0.00 0.01 -0.25 -0.61 113.70 119.34 1cul s SER 891 Ca 0.03 0.16 0.06 0.00 1.31 0.00 0.00 55.95 57.52 1cul s SER 891 Cb -0.19 -1.56 0.22 0.00 0.21 0.00 0.00 66.02 64.70 1cul s SER 891 CO -0.08 -0.51 0.55 -0.38 0.41 0.00 0.00 173.24 173.24 1cul n ILE 892 N -1.86 0.58 0.28 1.44 5.41 -1.25 -1.72 119.36 122.23 1cul n ILE 892 Ca -0.01 -4.43 0.17 0.00 1.00 0.00 0.00 62.75 59.48 1cul n ILE 892 Cb 0.57 -1.99 0.83 0.00 -0.71 0.00 0.00 39.64 38.34 1cul n ILE 892 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1cul h PRO 893 N 4.60 0.00 -0.00 0.38 0.13 -1.93 -1.05 132.00 134.13 1cul h PRO 893 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1cul h PRO 893 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1cul h PRO 893 CO 0.61 0.00 -0.15 -0.25 -0.23 0.00 0.00 178.00 177.97 1cul n ASP 894 N -3.13 0.21 -0.25 1.44 8.00 -1.26 -4.08 116.55 117.49 1cul n ASP 894 Ca 0.00 0.08 -0.07 0.00 0.71 0.00 0.00 54.79 55.52 1cul n ASP 894 Cb 0.41 -0.21 0.04 0.00 -0.02 0.00 0.00 41.12 41.34 1cul n ASP 894 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1cul h PHE 895 N 0.09 1.04 -0.99 1.24 3.04 -1.59 -2.74 116.94 117.03 1cul h PHE 895 Ca 0.00 -0.08 0.18 0.00 3.98 0.00 0.00 57.97 62.06 1cul h PHE 895 Cb 0.46 -0.31 -0.10 0.00 2.56 0.00 0.00 35.95 38.57 1cul h PHE 895 CO 0.00 0.80 0.61 -0.22 -2.02 0.00 0.00 178.31 177.49 1cul h LYS 896 N 0.97 0.71 0.00 1.11 3.64 -1.78 0.10 116.57 121.32 1cul h LYS 896 Ca 0.23 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.40 1cul h LYS 896 Cb 0.21 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1cul h LYS 896 CO -0.02 0.47 -0.80 1.49 -2.27 0.00 0.00 179.45 178.32 1cul h GLU 897 N 0.73 0.00 0.00 1.90 4.81 -1.77 -3.08 114.58 117.17 1cul h GLU 897 Ca 0.55 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.68 1cul h GLU 897 Cb 0.90 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 1cul h GLU 897 CO -0.33 0.80 -0.49 0.35 -0.73 0.00 0.00 179.01 178.61 1cul h PHE 898 N 0.00 0.00 -3.05 0.92 3.04 -0.75 -3.43 116.94 113.67 1cul h PHE 898 Ca -0.01 0.00 -0.54 0.00 3.98 0.00 0.00 57.97 61.40 1cul h PHE 898 Cb 1.50 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 40.01 1cul h PHE 898 CO 0.00 0.49 0.71 -0.47 -2.02 0.00 0.00 178.31 177.02 1cul s TYR 899 N -3.69 3.15 0.12 0.41 6.14 -0.32 -5.02 117.35 118.13 1cul s TYR 899 Ca -0.01 1.09 -0.09 0.00 0.64 0.00 0.00 57.07 58.70 1cul s TYR 899 Cb 0.12 -3.51 -0.00 0.00 0.42 0.00 0.00 41.96 38.99 1cul s TYR 899 CO 0.73 -1.73 0.23 0.95 0.64 0.00 0.00 175.55 176.37 1cul s THR 900 N 1.92 0.11 -0.23 4.34 -4.23 -1.26 -4.98 115.64 111.32 1cul s THR 900 Ca 0.60 -1.22 0.01 0.00 -1.18 0.00 0.00 61.69 59.90 1cul s THR 900 Cb -0.29 -1.50 0.05 0.00 1.34 0.00 0.00 72.50 72.11 1cul s THR 900 CO 0.26 -0.52 -0.09 -1.61 -0.54 0.00 0.00 174.62 172.12 1cul s GLU 901 N -3.89 1.95 0.09 3.99 2.02 -1.26 -2.97 118.70 118.63 1cul s GLU 901 Ca 0.09 -1.04 -0.04 0.00 0.02 0.00 0.00 54.97 54.00 1cul s GLU 901 Cb 0.04 -2.62 -0.02 0.00 0.10 0.00 0.00 34.13 31.63 1cul s GLU 901 CO -0.07 -0.53 0.09 -1.54 0.02 0.00 0.00 175.26 173.23 1cul s SER 902 N 1.31 0.29 0.49 -0.19 1.04 -1.26 -4.87 113.70 110.50 1cul s SER 902 Ca -0.05 -0.91 0.20 0.00 0.48 0.00 0.00 55.95 55.67 1cul s SER 902 Cb -0.18 0.29 1.23 0.00 0.10 0.00 0.00 66.02 67.46 1cul s SER 902 CO -0.07 -0.70 2.05 0.44 0.98 0.00 0.00 173.24 175.94 1cul h ASP 903 N 2.90 0.00 0.11 7.02 3.32 -1.99 0.04 116.42 127.83 1cul h ASP 903 Ca -0.34 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.49 1cul h ASP 903 Cb 1.18 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.74 1cul h ASP 903 CO 0.59 0.14 -0.87 0.58 -1.72 0.00 0.00 179.24 177.97 1cul h VAL 904 N 0.00 1.34 -0.48 -1.35 2.07 -2.02 -3.24 116.25 112.57 1cul h VAL 904 Ca -0.00 -2.20 -0.01 0.00 0.82 0.00 0.00 66.70 65.31 1cul h VAL 904 Cb 0.29 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 1cul h VAL 904 CO 0.02 0.67 0.02 -0.46 0.02 0.00 0.00 177.57 177.84 1cul n ASN 905 N -3.84 4.82 -3.80 0.57 0.23 -0.92 -4.93 115.26 107.39 1cul n ASN 905 Ca -0.07 -2.78 -0.26 0.00 -0.53 0.00 0.00 54.58 50.94 1cul n ASN 905 Cb 0.79 -0.66 0.03 0.00 -2.08 0.00 0.00 39.78 37.87 1cul n ASN 905 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1cul n LYS 906 N 0.47 -5.45 -3.60 -3.83 5.02 -0.94 -2.16 118.16 107.67 1cul n LYS 906 Ca 0.23 0.62 -0.21 0.00 -2.02 0.00 0.00 58.31 56.93 1cul n LYS 906 Cb 1.04 -5.39 0.06 0.00 -0.02 0.00 0.00 35.03 30.72 1cul n LYS 906 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1cul n GLU 907 N -4.53 -6.35 -0.33 1.97 4.71 -0.04 -2.61 120.64 113.46 1cul n GLU 907 Ca -0.10 0.75 0.00 0.00 -0.01 0.00 0.00 57.16 57.80 1cul n GLU 907 Cb 0.59 -5.64 0.00 0.00 -1.01 0.00 0.00 31.44 25.38 1cul n GLU 907 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1cul n GLY 908 N -1.52 1.23 0.28 0.62 0.00 -1.08 -4.80 105.19 99.92 1cul n GLY 908 Ca -0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 1cul n GLY 908 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1cul h LEU 909 N 0.00 0.63 -1.18 0.99 5.85 -1.21 -1.78 115.31 118.61 1cul h LEU 909 Ca 0.00 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 1cul h LEU 909 Cb 0.00 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1cul h LEU 909 CO 0.00 0.68 -0.32 -0.33 -0.34 0.00 0.00 178.44 178.13 1cul h GLU 910 N 0.63 0.00 0.11 1.25 4.39 -1.71 -1.18 114.58 118.08 1cul h GLU 910 Ca 0.13 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.56 1cul h GLU 910 Cb 0.36 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.03 1cul h GLU 910 CO 0.01 0.32 -1.20 0.00 -1.16 0.00 0.00 179.01 176.98 1cul h LEU 912 N 0.18 0.00 -0.61 0.00 3.38 -1.13 -2.20 115.31 114.93 1cul h LEU 912 Ca -0.15 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 1cul h LEU 912 Cb 1.88 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.61 1cul h LEU 912 CO 0.21 0.41 0.01 -0.09 0.09 0.00 0.00 178.44 179.07 1cul h ARG 913 N 0.00 1.07 -0.28 1.13 2.43 -1.17 -1.25 114.38 116.31 1cul h ARG 913 Ca -0.00 -0.34 -0.13 0.00 -0.81 0.00 0.00 59.98 58.70 1cul h ARG 913 Cb 0.78 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1cul h ARG 913 CO 0.05 1.04 -0.36 1.25 -1.51 0.00 0.00 179.97 180.45 1cul h LEU 914 N 0.97 0.66 -1.19 3.80 5.85 -1.32 -2.50 115.31 121.57 1cul h LEU 914 Ca 0.17 -0.28 -0.08 0.00 0.84 0.00 0.00 57.88 58.54 1cul h LEU 914 Cb 0.55 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1cul h LEU 914 CO 0.03 0.96 -0.26 0.25 -0.34 0.00 0.00 178.44 179.08 1cul h LEU 915 N 0.53 0.23 -0.94 2.25 5.85 -1.13 -1.81 115.31 120.29 1cul h LEU 915 Ca 0.05 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 1cul h LEU 915 Cb 0.86 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 1cul h LEU 915 CO 0.07 0.50 -0.24 -1.13 -0.34 0.00 0.00 178.44 177.30 1cul h ASN 916 N 0.21 0.49 -0.21 1.25 -1.24 -0.86 -0.42 115.58 114.80 1cul h ASN 916 Ca 0.03 -0.16 -0.15 0.00 0.71 0.00 0.00 56.30 56.73 1cul h ASN 916 Cb 0.58 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.50 1cul h ASN 916 CO 0.04 0.73 -0.44 -0.33 -1.29 0.00 0.00 177.43 176.15 1cul h GLU 917 N 0.43 0.67 0.40 6.67 4.39 -1.01 -1.86 114.58 124.28 1cul h GLU 917 Ca 0.07 -0.44 -0.02 0.00 0.34 0.00 0.00 59.36 59.31 1cul h GLU 917 Cb 0.66 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1cul h GLU 917 CO 0.05 1.06 -0.19 0.82 -1.16 0.00 0.00 179.01 179.58 1cul h ILE 918 N 0.37 0.61 -0.88 3.13 2.04 -1.09 0.25 117.51 121.94 1cul h ILE 918 Ca 0.01 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.70 1cul h ILE 918 Cb 1.04 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 1cul h ILE 918 CO 0.10 0.04 0.58 0.40 0.00 0.00 0.00 178.15 179.26 1cul h ILE 919 N -0.65 1.17 -0.51 -0.67 1.08 -1.15 -1.22 117.51 115.56 1cul h ILE 919 Ca -0.06 -0.39 -0.07 0.00 -0.39 0.00 0.00 64.86 63.96 1cul h ILE 919 Cb 0.47 -0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 34.16 1cul h ILE 919 CO 0.09 0.20 0.05 0.00 -0.69 0.00 0.00 178.15 177.80 1cul h ALA 920 N 1.48 0.68 -0.41 1.87 0.00 -1.15 -1.00 119.26 120.73 1cul h ALA 920 Ca 0.34 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1cul h ALA 920 Cb -0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1cul h ALA 920 CO -0.09 0.45 0.08 -0.44 0.00 0.00 0.00 179.25 179.25 1cul h ASP 921 N 0.73 0.56 0.08 0.00 5.19 -0.18 -1.67 116.42 121.13 1cul h ASP 921 Ca 0.15 -0.09 -0.15 0.00 -0.62 0.00 0.00 57.03 56.32 1cul h ASP 921 Cb 0.45 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 1cul h ASP 921 CO 0.02 0.58 -0.53 -0.26 -3.12 0.00 0.00 179.24 175.92 1cul h PHE 922 N 0.59 0.62 -0.56 4.55 -1.00 -0.94 -3.24 116.94 116.96 1cul h PHE 922 Ca 0.13 -0.21 -0.08 0.00 2.81 0.00 0.00 57.97 60.62 1cul h PHE 922 Cb 0.25 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 39.67 1cul h PHE 922 CO 0.01 0.92 0.02 -0.44 -1.61 0.00 0.00 178.31 177.21 1cul h ASP 923 N 0.38 0.95 0.00 2.17 3.45 -0.39 -2.80 116.42 120.19 1cul h ASP 923 Ca 0.01 -0.30 0.00 0.00 0.43 0.00 0.00 57.03 57.17 1cul h ASP 923 Cb 1.06 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 39.57 1cul h ASP 923 CO 0.10 1.02 0.12 0.44 -1.57 0.00 0.00 179.24 179.34 1cul h ASP 924 N 0.86 0.00 0.44 6.45 3.32 -1.36 -0.45 116.42 125.68 1cul h ASP 924 Ca 0.16 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.07 1cul h ASP 924 Cb 0.52 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1cul h ASP 924 CO 0.02 0.00 -0.61 -0.07 -1.72 0.00 0.00 179.24 176.86 1cul h LEU 925 N 0.00 0.19 -2.58 1.55 3.38 -1.61 -3.01 115.31 113.24 1cul h LEU 925 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1cul h LEU 925 Cb 0.23 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1cul h LEU 925 CO 0.00 0.76 0.04 -0.07 0.09 0.00 0.00 178.44 179.26 1cul h LEU 926 N 0.12 0.00 -0.17 1.67 3.38 -1.22 0.17 115.31 119.28 1cul h LEU 926 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1cul h LEU 926 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1cul h LEU 926 CO 0.09 0.00 -0.17 -1.20 0.09 0.00 0.00 178.44 177.26 1cul n SER 927 N -2.89 0.42 -4.74 -0.43 7.64 -1.14 -4.52 113.62 107.96 1cul n SER 927 Ca -0.03 -0.35 -0.41 0.00 1.01 0.00 0.00 58.87 59.10 1cul n SER 927 Cb 0.10 -0.08 -0.04 0.00 -1.01 0.00 0.00 64.21 63.18 1cul n SER 927 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1cul s LYS 928 N -2.66 4.55 0.26 1.43 -0.14 0.05 -4.95 119.74 118.28 1cul s LYS 928 Ca 0.23 1.82 -0.02 0.00 -1.36 0.00 0.00 55.97 56.64 1cul s LYS 928 Cb 0.19 -3.24 0.48 0.00 -1.68 0.00 0.00 37.83 33.58 1cul s LYS 928 CO 0.53 0.03 1.81 -1.35 -0.76 0.00 0.00 175.35 175.60 1cul h PRO 929 N 4.83 0.80 0.00 -1.68 0.11 -1.89 -0.79 132.00 133.38 1cul h PRO 929 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1cul h PRO 929 Cb 1.21 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1cul h PRO 929 CO 0.72 0.53 0.00 0.36 -0.21 0.00 0.00 178.00 179.40 1cul n LYS 930 N -4.73 0.07 -0.11 1.05 2.85 -1.26 -2.16 118.16 113.87 1cul n LYS 930 Ca 0.16 0.27 0.09 0.00 -1.05 0.00 0.00 58.31 57.78 1cul n LYS 930 Cb 0.33 -1.50 0.14 0.00 -0.65 0.00 0.00 35.03 33.35 1cul n LYS 930 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1cul n PHE 931 N -1.39 0.11 0.28 5.58 3.72 -0.31 -4.72 117.46 120.73 1cul n PHE 931 Ca 0.03 -0.93 0.17 0.00 -0.05 0.00 0.00 57.45 56.67 1cul n PHE 931 Cb 0.08 -0.16 0.84 0.00 -0.94 0.00 0.00 39.48 39.31 1cul n PHE 931 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1cul h SER 932 N 0.23 0.00 0.34 4.37 4.64 -1.36 -1.79 113.55 119.98 1cul h SER 932 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1cul h SER 932 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1cul h SER 932 CO 0.02 0.00 -0.55 0.61 -0.87 0.00 0.00 176.83 176.05 1cul n GLY 933 N -0.83 -1.03 3.66 -0.77 0.00 -1.26 -4.87 105.19 100.08 1cul n GLY 933 Ca -0.01 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 1cul n GLY 933 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cul s VAL 934 N -2.89 4.78 -0.31 1.61 1.01 -0.67 -4.11 120.40 119.83 1cul s VAL 934 Ca 0.13 1.80 -0.05 0.00 0.00 0.00 0.00 61.98 63.86 1cul s VAL 934 Cb 0.18 -4.21 0.03 0.00 0.00 0.00 0.00 36.38 32.37 1cul s VAL 934 CO 0.69 -0.08 0.06 -0.70 0.00 0.00 0.00 175.10 175.07 1cul s GLU 935 N 2.75 2.76 0.01 2.72 2.56 0.14 -4.95 118.70 124.68 1cul s GLU 935 Ca 0.40 -1.07 -0.30 0.00 0.00 0.00 0.00 54.97 54.00 1cul s GLU 935 Cb -0.16 -3.34 -0.06 0.00 2.00 0.00 0.00 34.13 32.58 1cul s GLU 935 CO 0.09 -0.56 1.45 0.21 -0.56 0.00 0.00 175.26 175.89 1cul s LYS 936 N 1.40 4.26 -0.18 4.30 2.20 -1.26 -1.47 119.74 128.99 1cul s LYS 936 Ca -0.01 2.04 -0.19 0.00 -0.36 0.00 0.00 55.97 57.44 1cul s LYS 936 Cb -0.18 -3.59 -0.21 0.00 -1.51 0.00 0.00 37.83 32.33 1cul s LYS 936 CO 0.01 -0.62 0.31 0.82 -0.36 0.00 0.00 175.35 175.52 1cul h ILE 937 N 4.93 0.95 -1.26 5.43 1.08 -1.48 -3.49 117.51 123.67 1cul h ILE 937 Ca -0.39 -2.24 0.08 0.00 -0.39 0.00 0.00 64.86 61.93 1cul h ILE 937 Cb 1.18 2.40 -0.02 0.00 -3.07 0.00 0.00 36.82 37.32 1cul h ILE 937 CO 0.91 0.46 0.20 2.29 -0.69 0.00 0.00 178.15 181.32 1cul n LYS 938 N -4.26 0.01 -4.41 2.37 2.85 -1.16 -4.92 118.16 108.65 1cul n LYS 938 Ca -0.30 -0.12 -0.21 0.00 -1.05 0.00 0.00 58.31 56.63 1cul n LYS 938 Cb 0.74 0.22 -0.16 0.00 -0.65 0.00 0.00 35.03 35.19 1cul n LYS 938 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1cul s THR 939 N -2.05 0.84 -0.54 0.58 -4.23 -1.26 -1.88 115.64 107.10 1cul s THR 939 Ca 0.06 -0.35 -0.03 0.00 -1.18 0.00 0.00 61.69 60.19 1cul s THR 939 Cb -0.00 -0.77 0.14 0.00 1.34 0.00 0.00 72.50 73.21 1cul s THR 939 CO -0.00 0.27 0.35 -0.63 -0.54 0.00 0.00 174.62 174.07 1cul s ILE 940 N 0.47 3.61 0.00 2.99 1.09 -0.44 -4.94 121.20 123.98 1cul s ILE 940 Ca -0.08 -2.56 0.00 0.00 -1.10 0.00 0.00 60.65 56.91 1cul s ILE 940 Cb -0.12 -3.39 0.00 0.00 -1.06 0.00 0.00 42.46 37.89 1cul s ILE 940 CO 0.01 -0.81 0.00 0.61 -0.10 0.00 0.00 174.94 174.66 1cul n GLY 941 N 3.97 2.35 1.16 6.18 0.00 -1.26 -1.39 105.19 116.20 1cul n GLY 941 Ca 0.03 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 45.99 1cul n GLY 941 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cul n SER 942 N 9.80 4.05 -4.88 1.61 3.41 -1.26 -4.96 113.62 121.38 1cul n SER 942 Ca 0.00 -2.46 -0.35 0.00 -0.26 0.00 0.00 58.87 55.80 1cul n SER 942 Cb 0.00 -0.47 -0.05 0.00 -0.26 0.00 0.00 64.21 63.42 1cul n SER 942 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1cul s THR 943 N -1.84 5.31 -0.12 6.66 2.01 -0.49 -3.83 115.64 123.35 1cul s THR 943 Ca 0.41 0.21 -0.01 0.00 0.31 0.00 0.00 61.69 62.61 1cul s THR 943 Cb 0.27 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.20 1cul s THR 943 CO 0.19 0.41 -0.06 -0.47 -0.69 0.00 0.00 174.62 173.99 1cul s TYR 944 N -1.26 2.97 -0.08 4.92 5.04 0.22 -1.33 117.35 127.84 1cul s TYR 944 Ca 0.26 -0.19 0.03 0.00 -2.44 0.00 0.00 57.07 54.73 1cul s TYR 944 Cb -0.13 -1.84 0.00 0.00 0.35 0.00 0.00 41.96 40.34 1cul s TYR 944 CO 0.15 0.11 -0.19 1.41 -1.34 0.00 0.00 175.55 175.68 1cul s MET 945 N -0.15 2.46 0.29 4.97 -2.45 -0.79 -0.88 119.30 122.76 1cul s MET 945 Ca 0.02 -0.70 -0.03 0.00 -1.25 0.00 0.00 55.69 53.73 1cul s MET 945 Cb -0.13 -1.92 -0.01 0.00 1.25 0.00 0.00 34.83 34.01 1cul s MET 945 CO 0.03 0.14 0.39 0.00 1.05 0.00 0.00 175.02 176.62 1cul s ALA 946 N 0.42 0.74 0.07 4.11 0.00 -0.66 -1.17 121.76 125.27 1cul s ALA 946 Ca -0.16 -1.47 -0.25 0.00 0.00 0.00 0.00 51.96 50.08 1cul s ALA 946 Cb -0.17 1.22 0.07 0.00 0.00 0.00 0.00 23.12 24.24 1cul s ALA 946 CO 0.06 -0.75 0.61 0.00 0.00 0.00 0.00 175.76 175.68 1cul s ALA 947 N -3.53 -1.60 0.12 0.00 0.00 -0.54 -1.02 121.76 115.19 1cul s ALA 947 Ca 0.31 0.77 0.06 0.00 0.00 0.00 0.00 51.96 53.11 1cul s ALA 947 Cb 0.01 0.51 -0.04 0.00 0.00 0.00 0.00 23.12 23.61 1cul s ALA 947 CO 0.17 -0.59 -0.14 0.95 0.00 0.00 0.00 175.76 176.15 1cul s THR 948 N -2.69 1.32 0.00 0.00 -4.23 -0.79 0.24 115.64 109.48 1cul s THR 948 Ca -0.04 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 1cul s THR 948 Cb -0.01 -1.53 0.00 0.00 1.34 0.00 0.00 72.50 72.30 1cul s THR 948 CO -0.04 -0.43 0.00 0.61 -0.54 0.00 0.00 174.62 174.23 1cul n GLY 949 N 0.51 0.75 0.01 3.99 0.00 -1.26 -2.01 105.19 107.18 1cul n GLY 949 Ca -0.15 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 45.81 1cul n GLY 949 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cul n LEU 950 N 0.00 0.50 -0.91 0.99 4.77 -1.26 -3.66 117.00 117.42 1cul n LEU 950 Ca 0.00 0.05 0.09 0.00 -0.03 0.00 0.00 56.01 56.12 1cul n LEU 950 Cb 0.00 -0.25 0.26 0.00 -2.33 0.00 0.00 43.42 41.10 1cul n LEU 950 CO 0.00 0.10 0.71 -1.20 -1.33 0.00 0.00 177.39 175.67 1cul n SER 951 N -1.58 2.68 -2.27 -1.43 7.64 -1.26 -5.20 113.62 112.20 1cul n SER 951 Ca 0.05 -1.94 -0.03 0.00 1.01 0.00 0.00 58.87 57.96 1cul n SER 951 Cb 0.35 -0.28 0.02 0.00 -1.01 0.00 0.00 64.21 63.29 1cul n SER 951 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cul n ALA 952 N 0.97 -0.11 0.00 -0.43 0.00 -1.24 -5.22 120.51 114.47 1cul n ALA 952 Ca 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1cul n ALA 952 Cb 0.45 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1cul n ALA 952 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1cul n GLU 963 N -1.31 0.00 0.21 0.00 4.71 -1.26 -5.12 120.64 117.88 1cul n GLU 963 Ca 0.02 0.00 0.15 0.00 -0.01 0.00 0.00 57.16 57.32 1cul n GLU 963 Cb 0.07 -0.95 0.63 0.00 -1.01 0.00 0.00 31.44 30.18 1cul n GLU 963 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 1cul h ARG 964 N 3.97 0.00 0.00 3.49 2.43 -2.02 -1.43 114.38 120.82 1cul h ARG 964 Ca 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1cul h ARG 964 Cb 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1cul h ARG 964 CO 0.17 0.00 -0.38 1.96 -1.51 0.00 0.00 179.97 180.20 1cul h GLN 965 N 0.00 0.00 -0.34 0.20 4.20 -2.06 -3.30 115.11 113.80 1cul h GLN 965 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1cul h GLN 965 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1cul h GLN 965 CO 0.00 0.11 0.00 0.66 -0.67 0.00 0.00 178.83 178.93 1cul n TYR 966 N -3.03 0.45 -0.32 2.96 0.53 -0.58 -4.67 117.16 112.50 1cul n TYR 966 Ca 0.02 -0.39 -0.02 0.00 -1.02 0.00 0.00 57.90 56.50 1cul n TYR 966 Cb 0.59 -0.02 0.11 0.00 -1.03 0.00 0.00 39.34 39.00 1cul n TYR 966 CO 0.00 0.00 0.00 1.98 -1.02 0.00 0.00 176.86 177.82 1cul h MET 967 N 2.59 1.06 -0.43 -0.72 4.05 -1.52 -2.85 114.93 117.11 1cul h MET 967 Ca 0.00 -0.06 0.13 0.00 -0.28 0.00 0.00 59.70 59.48 1cul h MET 967 Cb 0.74 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 31.29 1cul h MET 967 CO 0.00 0.70 0.33 1.12 0.23 0.00 0.00 176.91 179.29 1cul h HIS 968 N 1.09 0.00 -0.55 1.39 2.07 -1.85 -0.21 115.15 117.09 1cul h HIS 968 Ca 0.34 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.78 1cul h HIS 968 Cb -0.00 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.96 1cul h HIS 968 CO -0.02 0.00 -0.00 0.82 -3.07 0.00 0.00 177.93 175.66 1cul h ILE 969 N 0.00 1.26 0.00 6.12 2.04 -1.86 -1.45 117.51 123.61 1cul h ILE 969 Ca 0.21 -1.09 -0.13 0.00 1.00 0.00 0.00 64.86 64.84 1cul h ILE 969 Cb 0.87 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1cul h ILE 969 CO -0.00 0.39 -0.62 1.23 0.00 0.00 0.00 178.15 179.15 1cul h GLY 970 N 1.00 0.00 1.60 5.37 0.00 -1.18 -2.96 103.07 106.90 1cul h GLY 970 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.38 1cul h GLY 970 CO 0.03 0.00 -0.34 -0.84 0.00 0.00 0.00 176.54 175.38 1cul h THR 971 N 0.00 1.29 -0.44 4.70 2.02 -0.74 -2.34 112.91 117.40 1cul h THR 971 Ca -0.01 -1.43 -0.03 0.00 0.77 0.00 0.00 66.41 65.71 1cul h THR 971 Cb 1.13 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 69.02 1cul h THR 971 CO 0.08 0.45 0.17 -0.03 0.37 0.00 0.00 175.52 176.55 1cul h MET 972 N 0.39 0.67 -0.76 6.66 -1.53 -1.13 -0.97 114.93 118.27 1cul h MET 972 Ca 0.05 -0.13 -0.01 0.00 -3.44 0.00 0.00 59.70 56.16 1cul h MET 972 Cb 0.79 -0.11 -0.04 0.00 -0.55 0.00 0.00 31.60 31.70 1cul h MET 972 CO 0.06 0.63 0.42 0.28 0.14 0.00 0.00 176.91 178.44 1cul h VAL 973 N 0.58 1.23 -0.42 -5.77 2.07 -1.41 -1.82 116.25 110.70 1cul h VAL 973 Ca 0.15 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 1cul h VAL 973 Cb 0.22 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1cul h VAL 973 CO -0.01 0.25 0.14 -0.33 0.02 0.00 0.00 177.57 177.64 1cul h GLU 974 N 1.05 0.61 -0.21 1.57 4.39 -1.00 -0.95 114.58 120.04 1cul h GLU 974 Ca 0.27 -0.09 -0.08 0.00 0.34 0.00 0.00 59.36 59.80 1cul h GLU 974 Cb 0.03 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1cul h GLU 974 CO -0.04 0.53 -0.22 0.35 -1.16 0.00 0.00 179.01 178.47 1cul h PHE 975 N 0.61 0.41 -0.24 4.33 3.57 -0.51 -1.62 116.94 123.49 1cul h PHE 975 Ca 0.15 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 1cul h PHE 975 Cb 0.17 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1cul h PHE 975 CO 0.01 0.57 -0.04 0.00 -2.23 0.00 0.00 178.31 176.62 1cul h ALA 976 N 1.44 0.32 -0.84 2.41 0.00 -0.40 -1.72 119.26 120.47 1cul h ALA 976 Ca 0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1cul h ALA 976 Cb 0.58 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1cul h ALA 976 CO 0.04 0.10 0.50 1.88 0.00 0.00 0.00 179.25 181.77 1cul h TYR 977 N 0.19 1.11 -0.78 0.00 -1.99 -1.09 -2.45 116.97 111.95 1cul h TYR 977 Ca 0.06 -0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.75 1cul h TYR 977 Cb 0.49 -0.36 -0.03 0.00 2.00 0.00 0.00 36.73 38.82 1cul h TYR 977 CO 0.05 0.74 0.32 0.00 -0.00 0.00 0.00 178.16 179.27 1cul h ALA 978 N 1.39 1.01 -0.89 3.88 0.00 -0.99 -2.18 119.26 121.49 1cul h ALA 978 Ca 0.30 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1cul h ALA 978 Cb -0.04 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.40 1cul h ALA 978 CO -0.06 0.63 0.59 -0.07 0.00 0.00 0.00 179.25 180.34 1cul h LEU 979 N 1.13 1.02 -0.90 0.00 3.38 -0.86 -1.57 115.31 117.50 1cul h LEU 979 Ca 0.26 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.22 1cul h LEU 979 Cb 0.20 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1cul h LEU 979 CO -0.02 0.74 0.59 0.58 0.09 0.00 0.00 178.44 180.42 1cul h VAL 980 N 1.21 1.20 -0.70 1.22 2.07 -1.07 0.14 116.25 120.31 1cul h VAL 980 Ca 0.33 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 1cul h VAL 980 Cb -0.14 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 29.51 1cul h VAL 980 CO -0.07 0.22 0.24 1.23 0.02 0.00 0.00 177.57 179.20 1cul h GLY 981 N 1.19 1.14 1.09 2.17 0.00 -0.70 -0.60 103.07 107.35 1cul h GLY 981 Ca 0.34 -0.64 -0.15 0.00 0.00 0.00 0.00 47.33 46.87 1cul h GLY 981 CO -0.09 0.60 -0.39 0.50 0.00 0.00 0.00 176.54 177.16 1cul h LYS 982 N 1.03 0.86 -0.03 4.80 1.79 -0.56 -2.53 116.57 121.93 1cul h LYS 982 Ca 0.23 -0.48 -0.09 0.00 -2.18 0.00 0.00 60.65 58.14 1cul h LYS 982 Cb 0.26 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1cul h LYS 982 CO -0.01 1.12 -0.39 1.25 -1.08 0.00 0.00 179.45 180.34 1cul h LEU 983 N 0.65 0.06 -0.64 2.94 5.85 -0.46 -2.01 115.31 121.69 1cul h LEU 983 Ca 0.05 -0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 1cul h LEU 983 Cb 0.99 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 1cul h LEU 983 CO 0.09 0.45 -0.38 0.44 -0.34 0.00 0.00 178.44 178.70 1cul h ASP 984 N 0.05 0.67 -0.11 1.25 3.32 -1.02 -1.52 116.42 119.06 1cul h ASP 984 Ca 0.00 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 1cul h ASP 984 Cb 0.71 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 1cul h ASP 984 CO 0.05 0.98 0.05 0.00 -1.72 0.00 0.00 179.24 178.60 1cul h ALA 985 N 1.06 0.15 -0.61 3.45 0.00 -1.04 -2.23 119.26 120.03 1cul h ALA 985 Ca 0.05 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1cul h ALA 985 Cb 0.89 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1cul h ALA 985 CO 0.08 -0.28 0.33 0.82 0.00 0.00 0.00 179.25 180.20 1cul h ILE 986 N 0.05 0.96 -0.72 0.00 1.08 -1.27 -2.28 117.51 115.32 1cul h ILE 986 Ca 0.04 -0.21 0.05 0.00 -0.39 0.00 0.00 64.86 64.35 1cul h ILE 986 Cb 0.14 0.29 -0.05 0.00 -3.07 0.00 0.00 36.82 34.12 1cul h ILE 986 CO -0.00 0.11 0.43 0.78 -0.69 0.00 0.00 178.15 178.78 1cul h ASN 987 N 0.62 0.68 -0.76 1.72 2.35 -1.01 -0.16 115.58 119.02 1cul h ASN 987 Ca 0.27 0.02 0.05 0.00 -0.55 0.00 0.00 56.30 56.09 1cul h ASN 987 Cb 0.17 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.36 1cul h ASN 987 CO -0.17 0.44 0.45 0.11 -1.65 0.00 0.00 177.43 176.62 1cul h LYS 988 N 0.81 0.82 0.02 0.81 1.57 -0.82 -1.70 116.57 118.07 1cul h LYS 988 Ca 0.31 -0.05 -0.25 0.00 -1.87 0.00 0.00 60.65 58.80 1cul h LYS 988 Cb 0.13 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1cul h LYS 988 CO -0.16 0.54 -1.28 0.45 -0.57 0.00 0.00 179.45 178.44 1cul h HIS 989 N 0.85 0.06 -0.62 -1.35 3.86 -1.26 -3.35 115.15 113.33 1cul h HIS 989 Ca 0.33 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 1cul h HIS 989 Cb 0.14 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.61 1cul h HIS 989 CO -0.05 1.05 0.00 -1.13 0.86 0.00 0.00 177.93 178.66 1cul n SER 990 N -3.28 5.06 -2.80 2.45 3.41 -0.10 -4.95 113.62 113.42 1cul n SER 990 Ca -0.07 -2.60 -0.14 0.00 -0.26 0.00 0.00 58.87 55.80 1cul n SER 990 Cb 0.99 -0.61 -0.01 0.00 -0.26 0.00 0.00 64.21 64.32 1cul n SER 990 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1cul n PHE 991 N 0.96 -1.64 -3.61 7.33 3.72 -0.68 -4.94 117.46 118.60 1cul n PHE 991 Ca 0.26 0.17 -0.08 0.00 -0.05 0.00 0.00 57.45 57.75 1cul n PHE 991 Cb 0.99 -2.47 0.00 0.00 -0.94 0.00 0.00 39.48 37.05 1cul n PHE 991 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1cul n ASN 992 N -1.92 1.52 -2.75 4.37 2.85 -0.98 -5.06 115.26 113.30 1cul n ASN 992 Ca -0.07 -1.57 -0.10 0.00 -0.11 0.00 0.00 54.58 52.73 1cul n ASN 992 Cb 0.56 -0.01 0.05 0.00 1.24 0.00 0.00 39.78 41.62 1cul n ASN 992 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1cul n ASP 993 N -1.96 0.25 -4.75 1.20 2.03 -1.26 -4.68 116.55 107.37 1cul n ASP 993 Ca -0.01 -2.75 -0.41 0.00 0.52 0.00 0.00 54.79 52.14 1cul n ASP 993 Cb 0.19 0.02 -0.04 0.00 -0.72 0.00 0.00 41.12 40.57 1cul n ASP 993 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1cul s PHE 994 N -1.95 3.50 0.11 -0.67 0.08 -1.26 -5.04 117.98 112.76 1cul s PHE 994 Ca 0.27 1.55 0.10 0.00 0.12 0.00 0.00 56.93 58.97 1cul s PHE 994 Cb 0.42 -3.36 -0.04 0.00 -0.57 0.00 0.00 43.02 39.47 1cul s PHE 994 CO -0.02 -0.88 -0.26 0.15 -0.10 0.00 0.00 175.22 174.12 1cul s LYS 995 N -0.70 1.39 0.21 0.44 1.02 -1.26 -4.82 119.74 116.01 1cul s LYS 995 Ca 0.49 -1.28 -0.07 0.00 0.02 0.00 0.00 55.97 55.13 1cul s LYS 995 Cb -0.32 -1.80 -0.06 0.00 -0.52 0.00 0.00 37.83 35.13 1cul s LYS 995 CO 0.38 0.43 0.49 -1.17 -0.92 0.00 0.00 175.35 174.57 1cul s LEU 996 N -1.92 4.18 -0.22 3.17 2.96 -1.26 -4.46 118.68 121.13 1cul s LEU 996 Ca 0.12 0.78 -0.02 0.00 -0.22 0.00 0.00 54.13 54.79 1cul s LEU 996 Cb -0.10 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 43.12 1cul s LEU 996 CO 0.05 -0.05 0.04 -0.60 -1.32 0.00 0.00 176.35 174.46 1cul s ARG 997 N -2.89 0.78 -0.02 1.98 3.52 -0.70 0.01 118.95 121.63 1cul s ARG 997 Ca 0.45 -0.61 -0.00 0.00 -0.13 0.00 0.00 55.73 55.44 1cul s ARG 997 Cb -0.11 -2.14 -0.04 0.00 -1.56 0.00 0.00 34.95 31.10 1cul s ARG 997 CO 0.24 -0.70 0.04 0.08 -0.81 0.00 0.00 175.30 174.14 1cul s VAL 998 N 1.76 4.46 -0.06 7.11 1.01 -0.97 -1.09 120.40 132.63 1cul s VAL 998 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1cul s VAL 998 Cb -0.17 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.24 1cul s VAL 998 CO -0.11 0.41 -0.04 -0.83 0.00 0.00 0.00 175.10 174.53 1cul s GLY 999 N -1.51 0.50 -0.01 4.51 0.00 0.16 -0.64 107.32 110.33 1cul s GLY 999 Ca 0.20 -0.13 0.03 0.00 0.00 0.00 0.00 44.72 44.82 1cul s GLY 999 CO 0.10 0.60 -0.11 -0.42 0.00 0.00 0.00 173.10 173.28 1cul s ILE 1000N 1.20 0.87 0.21 0.90 1.01 -0.67 -1.16 121.20 123.55 1cul s ILE 1000Ca -0.06 -0.48 -0.10 0.00 0.00 0.00 0.00 60.65 60.00 1cul s ILE 1000Cb -0.14 -0.73 -0.01 0.00 0.01 0.00 0.00 42.46 41.59 1cul s ILE 1000CO -0.02 0.24 0.37 0.21 0.00 0.00 0.00 174.94 175.75 1cul s ASN 1001N -0.28 -0.03 0.07 3.58 2.47 -0.82 -3.55 114.94 116.37 1cul s ASN 1001Ca 0.04 -0.94 -0.12 0.00 0.42 0.00 0.00 52.86 52.26 1cul s ASN 1001Cb -0.04 0.51 0.01 0.00 -1.45 0.00 0.00 41.25 40.28 1cul s ASN 1001CO -0.00 -1.02 0.27 -1.38 -3.72 0.00 0.00 177.10 171.25 1cul s HIS 1002N -4.01 -0.03 -5.00 0.43 -3.43 -1.26 -0.10 115.29 101.89 1cul s HIS 1002Ca 0.22 -0.23 0.00 0.00 -0.80 0.00 0.00 55.06 54.25 1cul s HIS 1002Cb 0.02 0.06 0.00 0.00 -1.43 0.00 0.00 32.58 31.22 1cul s HIS 1002CO 0.06 -0.53 0.00 0.41 -2.00 0.00 0.00 174.74 172.67 1cul n GLY 1003N 0.30 0.04 3.75 -1.38 0.00 -0.73 -4.93 105.19 102.24 1cul n GLY 1003Ca -0.17 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 1cul n GLY 1003CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1cul s PRO 1004N -2.00 4.54 0.20 1.61 0.02 -1.22 -1.42 135.00 136.73 1cul s PRO 1004Ca 0.00 1.87 -0.02 0.00 0.02 0.00 0.00 61.00 62.87 1cul s PRO 1004Cb 0.00 -3.21 -0.04 0.00 0.02 0.00 0.00 34.50 31.27 1cul s PRO 1004CO 0.00 0.03 0.15 0.14 -0.33 0.00 0.00 177.00 176.99 1cul s VAL 1005N -0.59 0.00 -0.14 3.83 -7.23 -1.10 -4.31 120.40 110.87 1cul s VAL 1005Ca 0.49 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.70 1cul s VAL 1005Cb -0.33 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.15 1cul s VAL 1005CO 0.40 0.00 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.41 1cul s ILE 1006N -4.15 1.57 -0.08 -0.62 -1.09 -0.37 -0.83 121.20 115.63 1cul s ILE 1006Ca 0.38 -0.65 -0.02 0.00 -2.23 0.00 0.00 60.65 58.13 1cul s ILE 1006Cb 0.07 -1.46 -0.03 0.00 -1.58 0.00 0.00 42.46 39.45 1cul s ILE 1006CO 0.12 0.46 0.02 0.00 -1.23 0.00 0.00 174.94 174.31 1cul s ALA 1007N 1.33 3.37 0.00 9.38 0.00 -0.37 -1.09 121.76 134.39 1cul s ALA 1007Ca 0.01 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1cul s ALA 1007Cb -0.13 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.45 1cul s ALA 1007CO -0.08 0.60 0.00 0.41 0.00 0.00 0.00 175.76 176.69 1cul n GLY 1008N 2.06 -0.55 2.95 0.00 0.00 -0.97 -1.27 105.19 107.41 1cul n GLY 1008Ca -0.18 -0.77 -0.20 0.00 0.00 0.00 0.00 46.02 44.87 1cul n GLY 1008CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cul s VAL 1009N -3.59 0.68 0.24 1.61 1.01 -1.26 -1.38 120.40 117.71 1cul s VAL 1009Ca 0.00 -0.25 0.08 0.00 0.00 0.00 0.00 61.98 61.81 1cul s VAL 1009Cb 0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 36.38 35.69 1cul s VAL 1009CO 0.00 0.24 -0.12 0.27 0.00 0.00 0.00 175.10 175.49 1cul s ILE 1010N 0.56 1.79 0.00 2.22 -4.36 -1.26 -4.91 121.20 115.23 1cul s ILE 1010Ca -0.08 -2.20 0.00 0.00 -0.26 0.00 0.00 60.65 58.11 1cul s ILE 1010Cb -0.12 -2.24 0.00 0.00 1.25 0.00 0.00 42.46 41.36 1cul s ILE 1010CO 0.01 -0.46 0.00 0.61 0.24 0.00 0.00 174.94 175.34 1cul n GLY 1011N -0.49 -1.33 0.00 6.27 0.00 -1.26 -4.87 105.19 103.50 1cul n GLY 1011Ca -0.07 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.87 1cul n GLY 1011CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cul n ALA 1012N -0.23 0.00 -0.02 4.61 0.00 -1.26 -5.01 120.51 118.60 1cul n ALA 1012Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1cul n ALA 1012Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1cul n ALA 1012CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cul n GLN 1013N 0.00 0.15 -4.59 0.00 10.64 -1.26 -5.04 117.38 117.28 1cul n GLN 1013Ca 0.00 0.25 -0.26 0.00 -1.83 0.00 0.00 57.00 55.16 1cul n GLN 1013Cb 0.14 -0.96 -0.14 0.00 -0.86 0.00 0.00 30.24 28.43 1cul n GLN 1013CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 1cul s LYS 1014N -1.45 1.38 -1.07 2.61 -2.85 -1.26 -5.07 119.74 112.02 1cul s LYS 1014Ca -0.06 -1.02 -0.23 0.00 -1.00 0.00 0.00 55.97 53.67 1cul s LYS 1014Cb 0.01 -1.54 -0.02 0.00 -2.06 0.00 0.00 37.83 34.21 1cul s LYS 1014CO 0.09 0.39 1.81 -2.14 0.10 0.00 0.00 175.35 175.59 1cul s PRO 1015N -1.37 2.98 -0.29 1.78 0.02 -1.26 -4.93 135.00 131.94 1cul s PRO 1015Ca 0.08 -1.00 -0.05 0.00 0.02 0.00 0.00 61.00 60.05 1cul s PRO 1015Cb -0.09 -5.25 0.02 0.00 0.02 0.00 0.00 34.50 29.20 1cul s PRO 1015CO 0.02 -3.14 0.04 -0.65 -0.33 0.00 0.00 177.00 172.95 1cul s GLN 1016N 5.98 2.87 0.21 5.54 -0.21 -1.26 -5.08 119.66 127.71 1cul s GLN 1016Ca 0.62 -0.99 -0.30 0.00 0.02 0.00 0.00 55.36 54.71 1cul s GLN 1016Cb -0.02 -3.27 -0.09 0.00 1.00 0.00 0.00 33.01 30.64 1cul s GLN 1016CO 0.03 -0.49 1.35 -0.47 -2.12 0.00 0.00 175.29 173.59 1cul s TYR 1017N 1.41 3.20 0.23 0.91 6.14 -1.26 -4.53 117.35 123.45 1cul s TYR 1017Ca 0.00 1.16 -0.10 0.00 0.64 0.00 0.00 57.07 58.77 1cul s TYR 1017Cb -0.18 -3.66 -0.01 0.00 0.42 0.00 0.00 41.96 38.53 1cul s TYR 1017CO 0.00 -2.10 0.39 0.34 0.64 0.00 0.00 175.55 174.83 1cul s ASP 1018N 0.39 -0.04 0.03 4.32 3.68 -0.48 -4.91 116.67 119.66 1cul s ASP 1018Ca 0.58 -1.01 0.05 0.00 2.13 0.00 0.00 52.55 54.30 1cul s ASP 1018Cb -0.38 0.53 -0.02 0.00 -1.45 0.00 0.00 42.92 41.60 1cul s ASP 1018CO 0.39 -1.06 -0.16 0.27 0.13 0.00 0.00 175.17 174.74 1cul s ILE 1019N -4.04 1.23 0.12 4.11 -4.36 -1.26 -2.28 121.20 114.72 1cul s ILE 1019Ca 0.25 -0.99 0.03 0.00 -0.26 0.00 0.00 60.65 59.68 1cul s ILE 1019Cb 0.01 -1.10 -0.04 0.00 1.25 0.00 0.00 42.46 42.58 1cul s ILE 1019CO 0.09 0.09 -0.09 0.26 0.24 0.00 0.00 174.94 175.53 1cul s TRP 1020N -0.78 1.10 0.00 1.37 0.51 -0.25 -4.94 118.94 115.96 1cul s TRP 1020Ca 0.03 -0.81 0.00 0.00 -2.12 0.00 0.00 56.10 53.20 1cul s TRP 1020Cb -0.08 -0.59 0.00 0.00 -0.81 0.00 0.00 33.47 31.99 1cul s TRP 1020CO 0.01 -0.01 0.00 0.41 -0.51 0.00 0.00 176.95 176.85 1cul n GLY 1021N -0.08 3.88 0.37 0.98 0.00 -1.26 -1.23 105.19 107.84 1cul n GLY 1021Ca -0.11 -1.61 0.07 0.00 0.00 0.00 0.00 46.02 44.36 1cul n GLY 1021CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1cul h ASN 1022N 0.00 0.85 -0.60 1.61 -0.73 -2.00 -1.14 115.58 113.56 1cul h ASN 1022Ca 0.00 0.03 0.05 0.00 1.87 0.00 0.00 56.30 58.25 1cul h ASN 1022Cb 0.00 -0.15 -0.05 0.00 0.27 0.00 0.00 38.32 38.39 1cul h ASN 1022CO 0.00 0.49 0.32 0.74 -0.37 0.00 0.00 177.43 178.61 1cul h THR 1023N 0.93 0.95 -0.58 -3.57 2.02 -1.91 -0.72 112.91 110.03 1cul h THR 1023Ca 0.43 -0.21 -0.08 0.00 0.77 0.00 0.00 66.41 67.33 1cul h THR 1023Cb 0.41 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1cul h THR 1023CO -0.19 0.11 0.06 0.58 0.37 0.00 0.00 175.52 176.44 1cul h VAL 1024N 0.60 1.25 -0.29 3.16 2.07 -1.53 -2.01 116.25 119.51 1cul h VAL 1024Ca 0.27 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 1cul h VAL 1024Cb 0.17 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1cul h VAL 1024CO -0.18 0.37 0.09 0.78 0.02 0.00 0.00 177.57 178.65 1cul h ASN 1025N 0.90 0.42 -0.70 0.57 2.35 -0.64 -2.53 115.58 115.95 1cul h ASN 1025Ca 0.18 -0.21 -0.07 0.00 -0.55 0.00 0.00 56.30 55.65 1cul h ASN 1025Cb 0.44 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 1cul h ASN 1025CO 0.02 0.51 0.17 0.58 -1.65 0.00 0.00 177.43 177.05 1cul h VAL 1026N 0.30 1.26 -0.78 2.81 2.07 -1.06 -1.34 116.25 119.52 1cul h VAL 1026Ca 0.09 -0.97 0.07 0.00 0.82 0.00 0.00 66.70 66.71 1cul h VAL 1026Cb 0.24 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 1cul h VAL 1026CO -0.00 0.37 0.46 0.00 0.02 0.00 0.00 177.57 178.42 1cul h ALA 1027N 1.11 1.07 -0.65 1.67 0.00 -1.25 0.49 119.26 121.70 1cul h ALA 1027Ca 0.22 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1cul h ALA 1027Cb 0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1cul h ALA 1027CO 0.00 0.15 0.07 1.03 0.00 0.00 0.00 179.25 180.50 1cul h SER 1028N 0.82 1.06 0.05 0.00 0.87 -1.00 -2.45 113.55 112.90 1cul h SER 1028Ca 0.35 -0.27 -0.07 0.00 -1.23 0.00 0.00 61.79 60.57 1cul h SER 1028Cb 0.22 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 1cul h SER 1028CO -0.20 1.07 -0.22 0.03 -0.53 0.00 0.00 176.83 176.99 1cul h ARG 1029N 1.02 0.30 0.00 2.24 2.47 -0.18 -0.63 114.38 119.60 1cul h ARG 1029Ca 0.19 -0.10 -0.01 0.00 -1.26 0.00 0.00 59.98 58.81 1cul h ARG 1029Cb 0.49 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.78 1cul h ARG 1029CO 0.02 0.51 -0.05 0.52 0.56 0.00 0.00 179.97 181.54 1cul h MET 1030N 0.28 0.00 0.00 0.04 2.86 -0.46 -0.42 114.93 117.23 1cul h MET 1030Ca 0.05 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.59 1cul h MET 1030Cb 0.55 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1cul h MET 1030CO 0.04 0.05 -0.64 0.22 1.06 0.00 0.00 176.91 177.63 1cul h ASP 1031N 0.00 0.00 0.01 1.22 3.58 -1.22 -3.12 116.42 116.89 1cul h ASP 1031Ca -0.00 -0.48 -0.00 0.00 0.42 0.00 0.00 57.03 56.97 1cul h ASP 1031Cb 0.10 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.15 1cul h ASP 1031CO 0.01 1.11 -0.00 0.77 -2.88 0.00 0.00 179.24 178.24 1cul h SER 1032N -1.00 0.00 -0.15 2.28 4.64 -0.89 -0.20 113.55 118.23 1cul h SER 1032Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1cul h SER 1032Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1cul h SER 1032CO -0.09 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.22 1cul n THR 1033N -3.18 1.60 -1.22 2.95 -2.24 -0.19 -5.05 114.28 106.95 1cul n THR 1033Ca -0.03 -1.58 0.00 0.00 -2.27 0.00 0.00 64.05 60.17 1cul n THR 1033Cb 0.08 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 1cul n THR 1033CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cul n GLY 1034N -0.51 -0.42 3.20 3.38 0.00 -0.09 -5.02 105.19 105.73 1cul n GLY 1034Ca 0.13 -1.76 -0.21 0.00 0.00 0.00 0.00 46.02 44.18 1cul n GLY 1034CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cul s VAL 1035N -0.37 1.30 0.28 1.61 1.01 -1.26 -5.06 120.40 117.90 1cul s VAL 1035Ca 0.00 -1.26 -0.30 0.00 0.00 0.00 0.00 61.98 60.41 1cul s VAL 1035Cb 0.00 -1.20 -0.12 0.00 0.00 0.00 0.00 36.38 35.07 1cul s VAL 1035CO 0.00 -0.09 1.63 -0.76 0.00 0.00 0.00 175.10 175.89 1cul s LEU 1036N -1.56 4.35 -0.35 3.92 1.43 -1.26 -2.10 118.68 123.11 1cul s LEU 1036Ca 0.02 2.95 0.00 0.00 -1.03 0.00 0.00 54.13 56.07 1cul s LEU 1036Cb -0.09 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.50 1cul s LEU 1036CO 0.02 -0.94 0.00 0.47 0.23 0.00 0.00 176.35 176.13 1cul n ASP 1037N 2.58 -4.20 -4.31 2.29 8.00 0.10 -5.00 116.55 116.02 1cul n ASP 1037Ca 0.10 0.08 -0.22 0.00 0.71 0.00 0.00 54.79 55.46 1cul n ASP 1037Cb 0.37 -1.99 -0.12 0.00 -0.02 0.00 0.00 41.12 39.36 1cul n ASP 1037CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1cul s LYS 1038N -1.55 1.19 -0.36 -1.24 -0.14 -0.89 -5.05 119.74 111.69 1cul s LYS 1038Ca 0.00 -1.29 -0.06 0.00 -1.36 0.00 0.00 55.97 53.27 1cul s LYS 1038Cb 0.00 -1.33 0.06 0.00 -1.68 0.00 0.00 37.83 34.89 1cul s LYS 1038CO 0.00 0.29 0.14 0.42 -0.76 0.00 0.00 175.35 175.44 1cul s ILE 1039N -1.67 3.66 -0.14 2.17 1.01 -1.26 -2.30 121.20 122.68 1cul s ILE 1039Ca 0.11 -1.41 -0.19 0.00 0.00 0.00 0.00 60.65 59.16 1cul s ILE 1039Cb -0.08 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 1cul s ILE 1039CO 0.05 -0.34 0.52 -1.58 0.00 0.00 0.00 174.94 173.59 1cul s GLN 1040N 1.33 4.31 0.15 2.79 0.74 0.19 -1.83 119.66 127.34 1cul s GLN 1040Ca 0.01 0.49 0.06 0.00 0.05 0.00 0.00 55.36 55.97 1cul s GLN 1040Cb -0.21 -3.47 -0.04 0.00 1.10 0.00 0.00 33.01 30.39 1cul s GLN 1040CO 0.01 0.06 -0.13 0.14 -0.55 0.00 0.00 175.29 174.81 1cul s VAL 1041N 0.93 1.40 0.86 1.34 -7.23 0.69 -1.68 120.40 116.72 1cul s VAL 1041Ca 0.27 -1.92 -0.12 0.00 -1.81 0.00 0.00 61.98 58.40 1cul s VAL 1041Cb -0.15 -1.73 0.11 0.00 0.56 0.00 0.00 36.38 35.16 1cul s VAL 1041CO 0.11 -0.53 1.12 0.42 -0.31 0.00 0.00 175.10 175.91 1cul s THR 1042N -2.61 2.45 0.13 5.32 -4.23 -1.23 -0.62 115.64 114.85 1cul s THR 1042Ca 0.14 0.15 -0.20 0.00 -1.18 0.00 0.00 61.69 60.60 1cul s THR 1042Cb -0.02 -2.90 -0.02 0.00 1.34 0.00 0.00 72.50 70.89 1cul s THR 1042CO 0.03 -0.19 1.71 -0.08 -0.54 0.00 0.00 174.62 175.55 1cul h GLU 1043N -1.31 0.02 -0.87 3.99 4.81 -1.90 0.24 114.58 119.55 1cul h GLU 1043Ca -0.49 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 58.82 1cul h GLU 1043Cb 1.31 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.61 1cul h GLU 1043CO 0.61 0.01 0.53 0.93 -0.73 0.00 0.00 179.01 180.36 1cul h GLU 1044N 0.02 0.89 -0.36 1.92 3.07 -1.93 -2.08 114.58 116.11 1cul h GLU 1044Ca 0.10 -0.05 -0.14 0.00 -0.50 0.00 0.00 59.36 58.77 1cul h GLU 1044Cb 0.15 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 1cul h GLU 1044CO -0.21 0.59 -0.31 1.15 -1.40 0.00 0.00 179.01 178.84 1cul h THR 1045N 0.92 1.28 -0.27 1.13 2.02 -1.73 -3.03 112.91 113.23 1cul h THR 1045Ca 0.40 -1.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.10 1cul h THR 1045Cb 0.28 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 1cul h THR 1045CO -0.21 0.49 0.14 0.77 0.37 0.00 0.00 175.52 177.07 1cul h SER 1046N 0.64 0.33 0.39 4.18 4.64 -0.33 -1.10 113.55 122.29 1cul h SER 1046Ca 0.06 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 1cul h SER 1046Cb 0.89 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1cul h SER 1046CO 0.08 0.28 -0.19 -0.07 -0.87 0.00 0.00 176.83 176.06 1cul h LEU 1047N 0.37 -0.44 -1.34 5.97 3.38 -1.29 -1.34 115.31 120.63 1cul h LEU 1047Ca 0.10 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1cul h LEU 1047Cb 0.03 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1cul h LEU 1047CO -0.01 -0.15 0.47 0.40 0.09 0.00 0.00 178.44 179.24 1cul h ILE 1048N -0.74 1.12 0.00 1.22 5.03 -1.40 -0.93 117.51 121.81 1cul h ILE 1048Ca -0.05 -0.30 -0.06 0.00 -0.12 0.00 0.00 64.86 64.32 1cul h ILE 1048Cb 0.51 0.17 -0.01 0.00 -3.03 0.00 0.00 36.82 34.46 1cul h ILE 1048CO 0.09 0.16 -0.30 -0.07 -0.68 0.00 0.00 178.15 177.35 1cul h LEU 1049N 0.88 0.00 -0.57 1.44 3.38 -1.09 -2.84 115.31 116.50 1cul h LEU 1049Ca 0.28 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.10 1cul h LEU 1049Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1cul h LEU 1049CO -0.07 0.30 -0.47 -0.61 0.09 0.00 0.00 178.44 177.68 1cul h GLN 1050N 0.00 0.60 0.00 1.13 4.15 0.02 -1.20 115.11 119.81 1cul h GLN 1050Ca -0.00 -0.34 0.00 0.00 0.77 0.00 0.00 58.65 59.08 1cul h GLN 1050Cb 0.55 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1cul h GLN 1050CO 0.04 0.94 0.00 0.25 -1.93 0.00 0.00 178.83 178.13 1cul n THR 1051N -4.00 0.46 0.92 2.39 -2.24 -1.08 -2.37 114.28 108.35 1cul n THR 1051Ca -0.02 0.11 0.10 0.00 -2.27 0.00 0.00 64.05 61.97 1cul n THR 1051Cb 0.56 -0.75 -0.02 0.00 -2.10 0.00 0.00 70.33 68.02 1cul n THR 1051CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1cul n LEU 1052N -1.42 1.74 0.00 3.22 4.77 -1.06 -4.97 117.00 119.28 1cul n LEU 1052Ca 0.07 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 1cul n LEU 1052Cb 0.22 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1cul n LEU 1052CO 0.19 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1cul n GLY 1053N 1.36 0.86 3.81 -0.72 0.00 -1.00 -5.10 105.19 104.40 1cul n GLY 1053Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1cul n GLY 1053CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cul s TYR 1054N -2.00 3.56 -0.04 1.61 2.02 -0.48 -5.01 117.35 117.02 1cul s TYR 1054Ca 0.00 1.55 0.02 0.00 -0.37 0.00 0.00 57.07 58.27 1cul s TYR 1054Cb 0.00 -2.76 -0.03 0.00 -0.40 0.00 0.00 41.96 38.77 1cul s TYR 1054CO 0.00 0.17 -0.09 -0.08 -1.57 0.00 0.00 175.55 173.98 1cul s THR 1055N -1.75 3.52 0.19 -0.71 -1.32 -1.26 -3.83 115.64 110.47 1cul s THR 1055Ca 0.51 -0.65 0.09 0.00 -1.21 0.00 0.00 61.69 60.42 1cul s THR 1055Cb -0.15 -2.46 -0.04 0.00 -1.51 0.00 0.00 72.50 68.34 1cul s THR 1055CO 0.20 0.52 -0.17 0.00 -2.21 0.00 0.00 174.62 172.96 1cul s THR 1057N -2.35 2.03 -0.08 0.00 2.01 -0.29 -4.93 115.64 112.03 1cul s THR 1057Ca 0.19 -0.98 -0.30 0.00 0.31 0.00 0.00 61.69 60.91 1cul s THR 1057Cb -0.04 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 1cul s THR 1057CO 0.07 0.55 1.46 0.00 -0.69 0.00 0.00 174.62 176.02 1cul h ARG 1059N 8.71 0.00 0.00 0.00 1.12 -1.48 -3.48 114.38 119.25 1cul h ARG 1059Ca -0.35 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.52 1cul h ARG 1059Cb 1.15 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.11 1cul h ARG 1059CO 0.95 0.35 0.00 0.41 -3.11 0.00 0.00 179.97 178.57 1cul n GLY 1060N 1.14 -1.30 3.57 2.80 0.00 -1.23 -4.95 105.19 105.22 1cul n GLY 1060Ca 0.02 -2.19 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 1cul n GLY 1060CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cul s ILE 1061N -0.43 5.01 -0.03 -0.61 1.09 -1.26 -2.08 121.20 122.89 1cul s ILE 1061Ca 0.00 0.45 0.07 0.00 -1.10 0.00 0.00 60.65 60.08 1cul s ILE 1061Cb 0.00 -3.95 -0.02 0.00 -1.06 0.00 0.00 42.46 37.43 1cul s ILE 1061CO 0.00 -0.18 -0.25 0.27 -0.10 0.00 0.00 174.94 174.68 1cul s ILE 1062N 2.41 2.02 -0.55 2.92 -4.36 -0.55 -4.88 121.20 118.21 1cul s ILE 1062Ca 0.20 -1.08 -0.28 0.00 -0.26 0.00 0.00 60.65 59.23 1cul s ILE 1062Cb -0.15 -1.69 0.01 0.00 1.25 0.00 0.00 42.46 41.88 1cul s ILE 1062CO 0.13 0.57 1.39 0.21 0.24 0.00 0.00 174.94 177.48 1cul s ASN 1063N -0.44 6.18 -0.20 4.36 3.84 -1.26 -1.17 114.94 126.26 1cul s ASN 1063Ca 0.05 0.33 -0.17 0.00 0.21 0.00 0.00 52.86 53.28 1cul s ASN 1063Cb -0.11 -2.55 -0.04 0.00 -0.55 0.00 0.00 41.25 38.01 1cul s ASN 1063CO 0.01 -1.65 0.44 -0.69 -2.79 0.00 0.00 177.10 172.41 1cul s VAL 1064N 5.88 5.17 -0.18 -5.21 1.01 0.16 -4.89 120.40 122.33 1cul s VAL 1064Ca 0.52 0.80 -0.38 0.00 0.00 0.00 0.00 61.98 62.92 1cul s VAL 1064Cb -0.11 -3.77 -0.15 0.00 0.00 0.00 0.00 36.38 32.35 1cul s VAL 1064CO 0.26 0.23 1.72 1.17 0.00 0.00 0.00 175.10 178.48 1cul n LYS 1065N 4.57 1.40 0.00 2.72 4.81 -1.26 0.18 118.16 130.58 1cul n LYS 1065Ca -0.07 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 1cul n LYS 1065Cb 0.51 -2.23 0.00 0.00 0.02 0.00 0.00 35.03 33.33 1cul n LYS 1065CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1cul n GLY 1066N 4.03 2.95 0.10 3.14 0.00 -1.26 -4.77 105.19 109.38 1cul n GLY 1066Ca 0.24 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 1cul n GLY 1066CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cul n LYS 1067N -0.46 0.48 0.00 1.61 4.76 -0.12 -5.12 118.16 119.30 1cul n LYS 1067Ca 0.00 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 1cul n LYS 1067Cb 0.00 -1.38 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 1cul n LYS 1067CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1cul n GLY 1068N 2.56 0.28 3.58 0.72 0.00 0.13 -4.92 105.19 107.54 1cul n GLY 1068Ca -0.34 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 1cul n GLY 1068CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cul s ASP 1069N -4.00 5.82 -0.11 1.61 1.11 -1.26 0.40 116.67 120.24 1cul s ASP 1069Ca 0.00 0.74 0.02 0.00 0.18 0.00 0.00 52.55 53.50 1cul s ASP 1069Cb 0.00 -2.53 -0.01 0.00 1.07 0.00 0.00 42.92 41.45 1cul s ASP 1069CO 0.00 -1.87 -0.19 -0.76 1.18 0.00 0.00 175.17 173.53 1cul s LEU 1070N 7.17 2.41 -0.18 1.23 1.43 -0.32 -4.90 118.68 125.52 1cul s LEU 1070Ca 0.68 -0.43 -0.23 0.00 -1.03 0.00 0.00 54.13 53.11 1cul s LEU 1070Cb -0.16 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 1cul s LEU 1070CO 0.28 0.18 0.73 -0.75 0.23 0.00 0.00 176.35 177.02 1cul s LYS 1071N 0.26 4.26 0.41 1.70 2.20 -1.26 -1.49 119.74 125.82 1cul s LYS 1071Ca -0.13 0.82 0.07 0.00 -0.36 0.00 0.00 55.97 56.37 1cul s LYS 1071Cb -0.16 -3.57 -0.08 0.00 -1.51 0.00 0.00 37.83 32.50 1cul s LYS 1071CO 0.07 -0.27 0.01 0.95 -0.36 0.00 0.00 175.35 175.74 1cul s THR 1072N 2.00 1.99 0.05 3.43 -4.23 -0.88 -3.19 115.64 114.80 1cul s THR 1072Ca 0.34 -2.01 -0.01 0.00 -1.18 0.00 0.00 61.69 58.83 1cul s THR 1072Cb -0.16 -2.98 -0.04 0.00 1.34 0.00 0.00 72.50 70.66 1cul s THR 1072CO 0.12 -0.01 -0.03 -0.31 -0.54 0.00 0.00 174.62 173.85 1cul s TYR 1073N -2.72 0.51 -0.14 3.99 1.51 0.21 -1.19 117.35 119.52 1cul s TYR 1073Ca 0.35 -0.98 0.01 0.00 -1.01 0.00 0.00 57.07 55.43 1cul s TYR 1073Cb 0.10 -0.37 -0.00 0.00 -0.11 0.00 0.00 41.96 41.57 1cul s TYR 1073CO 0.18 -0.34 -0.16 -0.06 -1.11 0.00 0.00 175.55 174.06 1cul s PHE 1074N -3.55 2.75 0.10 2.71 2.99 0.45 -0.22 117.98 123.21 1cul s PHE 1074Ca 0.04 -0.95 -0.31 0.00 0.00 0.00 0.00 56.93 55.71 1cul s PHE 1074Cb 0.05 -1.85 -0.07 0.00 0.00 0.00 0.00 43.02 41.15 1cul s PHE 1074CO -0.08 -0.40 1.29 0.08 -0.00 0.00 0.00 175.22 176.10 1cul s VAL 1075N 0.63 3.64 0.30 -0.44 1.01 -0.76 -1.13 120.40 123.65 1cul s VAL 1075Ca -0.09 1.20 -0.28 0.00 0.00 0.00 0.00 61.98 62.81 1cul s VAL 1075Cb -0.16 -3.77 -0.09 0.00 0.00 0.00 0.00 36.38 32.36 1cul s VAL 1075CO 0.03 0.10 0.99 0.20 0.00 0.00 0.00 175.10 176.42 1cul s ASN 1076N 1.00 7.33 0.00 3.32 0.01 -0.34 -4.64 114.94 121.62 1cul s ASN 1076Ca 0.61 2.00 0.20 0.00 -0.71 0.00 0.00 52.86 54.96 1cul s ASN 1076Cb -0.33 -2.60 0.16 0.00 0.41 0.00 0.00 41.25 38.88 1cul s ASN 1076CO 0.30 -0.08 1.12 0.41 -1.51 0.00 0.00 177.10 177.35