#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3maa s GLN 880 N 0.00 1.18 0.31 -1.40 1.03 -1.26 -5.01 119.66 114.50 3maa s GLN 880 Ca 0.00 -1.20 -0.02 0.00 0.04 0.00 0.00 55.36 54.18 3maa s GLN 880 Cb 0.00 0.38 0.06 0.00 0.03 0.00 0.00 33.01 33.48 3maa s GLN 880 CO 0.00 -0.43 0.42 -1.13 -2.54 0.00 0.00 175.29 171.61 3maa n SER 881 N -0.22 0.42 -2.98 12.60 3.41 -1.26 -2.31 113.62 123.26 3maa n SER 881 Ca -0.07 -1.39 -0.06 0.00 -0.26 0.00 0.00 58.87 57.10 3maa n SER 881 Cb 0.63 -0.29 0.02 0.00 -0.26 0.00 0.00 64.21 64.32 3maa n SER 881 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3maa n TYR 882 N -2.13 -1.82 0.04 7.33 4.02 -0.94 -4.91 117.16 118.75 3maa n TYR 882 Ca 0.06 -1.51 0.00 0.00 -0.01 0.00 0.00 57.90 56.45 3maa n TYR 882 Cb 0.23 0.75 0.00 0.00 -0.02 0.00 0.00 39.34 40.30 3maa n TYR 882 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3maa n ASP 883 N -1.39 0.19 -3.21 7.72 8.00 -1.26 -3.94 116.55 122.65 3maa n ASP 883 Ca -0.05 0.15 -0.26 0.00 0.71 0.00 0.00 54.79 55.34 3maa n ASP 883 Cb 0.57 0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.64 3maa n ASP 883 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3maa s VAL 885 N -2.94 5.45 -0.24 0.00 1.01 -1.20 -4.69 120.40 117.79 3maa s VAL 885 Ca 0.42 0.19 -0.05 0.00 0.00 0.00 0.00 61.98 62.54 3maa s VAL 885 Cb 0.21 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 3maa s VAL 885 CO -0.07 0.58 0.00 0.00 0.00 0.00 0.00 175.10 175.61 3maa s VAL 887 N 1.51 3.94 -0.05 0.00 1.01 0.04 -2.22 120.40 124.63 3maa s VAL 887 Ca 0.05 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.74 3maa s VAL 887 Cb -0.15 -2.74 -0.00 0.00 0.00 0.00 0.00 36.38 33.48 3maa s VAL 887 CO -0.01 0.48 -0.19 -0.32 0.00 0.00 0.00 175.10 175.06 3maa s MET 888 N 0.51 2.00 -0.08 2.72 1.75 -0.45 -1.25 119.30 124.50 3maa s MET 888 Ca -0.02 -0.67 0.03 0.00 -1.25 0.00 0.00 55.69 53.77 3maa s MET 888 Cb -0.14 -1.70 -0.01 0.00 2.84 0.00 0.00 34.83 35.81 3maa s MET 888 CO 0.02 0.26 -0.18 -0.06 -0.65 0.00 0.00 175.02 174.41 3maa s PHE 889 N 0.04 2.64 -0.20 4.11 0.40 0.31 -1.60 117.98 123.67 3maa s PHE 889 Ca -0.05 -0.60 -0.02 0.00 -0.60 0.00 0.00 56.93 55.66 3maa s PHE 889 Cb -0.12 -1.70 0.06 0.00 0.51 0.00 0.00 43.02 41.76 3maa s PHE 889 CO 0.03 -0.14 0.01 0.00 0.70 0.00 0.00 175.22 175.82 3maa s ALA 890 N -0.07 1.23 0.36 5.36 0.00 -0.50 0.16 121.76 128.30 3maa s ALA 890 Ca -0.04 -0.84 0.08 0.00 0.00 0.00 0.00 51.96 51.16 3maa s ALA 890 Cb -0.14 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.72 3maa s ALA 890 CO 0.04 -1.16 0.26 -1.54 0.00 0.00 0.00 175.76 173.36 3maa s SER 891 N 1.75 5.02 -0.48 0.00 1.04 -0.78 -0.40 113.70 119.84 3maa s SER 891 Ca -0.02 -0.65 0.03 0.00 0.48 0.00 0.00 55.95 55.79 3maa s SER 891 Cb -0.17 -0.80 0.14 0.00 0.10 0.00 0.00 66.02 65.28 3maa s SER 891 CO -0.07 -0.40 0.27 -0.63 0.98 0.00 0.00 173.24 173.38 3maa s ILE 892 N -2.39 1.86 -0.07 -1.02 1.01 -1.23 0.15 121.20 119.52 3maa s ILE 892 Ca 0.41 -2.93 0.24 0.00 0.00 0.00 0.00 60.65 58.37 3maa s ILE 892 Cb -0.04 -2.29 0.27 0.00 0.01 0.00 0.00 42.46 40.41 3maa s ILE 892 CO 0.25 -0.88 1.74 -0.65 0.00 0.00 0.00 174.94 175.40 3maa h PRO 893 N 6.52 0.00 0.00 2.79 0.11 -1.92 -2.57 132.00 136.92 3maa h PRO 893 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3maa h PRO 893 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3maa h PRO 893 CO 0.56 0.17 0.17 -0.25 -0.21 0.00 0.00 178.00 178.44 3maa n ASP 894 N -3.22 0.06 -0.07 -2.05 9.92 -1.26 -3.54 116.55 116.39 3maa n ASP 894 Ca 0.02 0.38 -0.12 0.00 -0.53 0.00 0.00 54.79 54.54 3maa n ASP 894 Cb 0.48 -0.38 -0.10 0.00 -0.64 0.00 0.00 41.12 40.48 3maa n ASP 894 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 3maa h PHE 895 N 0.00 0.00 -1.41 1.24 3.57 -1.87 -3.27 116.94 115.20 3maa h PHE 895 Ca 0.00 0.00 0.42 0.00 3.53 0.00 0.00 57.97 61.92 3maa h PHE 895 Cb 0.34 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.99 3maa h PHE 895 CO 0.00 0.81 0.98 -0.22 -2.23 0.00 0.00 178.31 177.65 3maa h LYS 896 N -1.00 0.08 0.00 1.11 1.63 -1.79 -0.27 116.57 116.33 3maa h LYS 896 Ca -0.02 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3maa h LYS 896 Cb 0.81 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 3maa h LYS 896 CO -0.01 0.05 0.00 0.39 -3.45 0.00 0.00 179.45 176.43 3maa n GLU 897 N -4.33 0.00 0.13 1.90 1.02 -1.26 -3.86 120.64 114.24 3maa n GLU 897 Ca 0.34 0.43 0.01 0.00 -0.02 0.00 0.00 57.16 57.92 3maa n GLU 897 Cb 1.45 -1.21 0.03 0.00 -0.02 0.00 0.00 31.44 31.69 3maa n GLU 897 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3maa n PHE 898 N -1.79 0.04 -2.50 -0.32 7.35 -0.20 -4.08 117.46 115.95 3maa n PHE 898 Ca 0.00 0.02 -0.40 0.00 -0.76 0.00 0.00 57.45 56.31 3maa n PHE 898 Cb 0.00 -0.06 -0.03 0.00 0.35 0.00 0.00 39.48 39.74 3maa n PHE 898 CO 0.00 0.00 0.00 -0.47 -0.76 0.00 0.00 176.76 175.53 3maa s TYR 899 N -2.82 2.35 0.37 -5.13 5.04 -0.67 -4.99 117.35 111.49 3maa s TYR 899 Ca -0.00 -0.37 0.02 0.00 -2.44 0.00 0.00 57.07 54.28 3maa s TYR 899 Cb 0.00 -4.60 -0.02 0.00 0.35 0.00 0.00 41.96 37.69 3maa s TYR 899 CO 0.01 -2.00 0.55 0.99 -1.34 0.00 0.00 175.55 173.76 3maa s THR 900 N 5.79 4.57 -0.04 4.34 2.01 -1.26 -5.04 115.64 126.01 3maa s THR 900 Ca 0.44 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 61.80 3maa s THR 900 Cb -0.04 -3.65 0.03 0.00 0.01 0.00 0.00 72.50 68.84 3maa s THR 900 CO 0.02 -0.38 0.02 -1.61 -0.69 0.00 0.00 174.62 171.97 3maa s GLU 901 N -4.33 0.25 0.15 4.92 2.02 -1.26 -3.80 118.70 116.65 3maa s GLU 901 Ca 0.43 0.16 -0.24 0.00 0.02 0.00 0.00 54.97 55.35 3maa s GLU 901 Cb -0.10 -0.57 0.07 0.00 0.10 0.00 0.00 34.13 33.63 3maa s GLU 901 CO 0.35 -0.22 0.66 -1.54 0.02 0.00 0.00 175.26 174.53 3maa s SER 902 N 1.49 -0.50 0.40 -0.19 1.04 -1.13 -4.87 113.70 109.94 3maa s SER 902 Ca -0.03 -0.08 0.15 0.00 0.48 0.00 0.00 55.95 56.47 3maa s SER 902 Cb -0.13 0.59 1.02 0.00 0.10 0.00 0.00 66.02 67.59 3maa s SER 902 CO -0.03 -0.97 1.85 0.44 0.98 0.00 0.00 173.24 175.52 3maa h ASP 903 N 2.00 0.47 -0.05 7.02 5.19 -2.00 -1.75 116.42 127.30 3maa h ASP 903 Ca -0.30 0.05 -0.11 0.00 -0.62 0.00 0.00 57.03 56.04 3maa h ASP 903 Cb 1.29 -0.04 0.01 0.00 0.18 0.00 0.00 39.33 40.77 3maa h ASP 903 CO 0.35 0.20 -0.40 0.58 -3.12 0.00 0.00 179.24 176.85 3maa h VAL 904 N 0.47 1.43 -3.60 -1.35 2.07 -2.03 -3.40 116.25 109.84 3maa h VAL 904 Ca 0.47 -1.85 -0.70 0.00 0.82 0.00 0.00 66.70 65.44 3maa h VAL 904 Cb 1.07 2.43 -0.22 0.00 -1.52 0.00 0.00 31.29 33.05 3maa h VAL 904 CO -0.20 0.53 -0.49 0.54 0.02 0.00 0.00 177.57 177.97 3maa s ASN 905 N -6.50 5.86 -0.64 0.57 2.20 -0.91 -4.92 114.94 110.60 3maa s ASN 905 Ca -0.14 -0.76 -0.27 0.00 -0.94 0.00 0.00 52.86 50.75 3maa s ASN 905 Cb 0.03 -2.08 -0.27 0.00 -2.00 0.00 0.00 41.25 36.93 3maa s ASN 905 CO 0.79 -0.33 1.85 0.29 -2.94 0.00 0.00 177.10 176.76 3maa n LYS 906 N 5.06 0.05 -2.95 3.55 5.02 -1.25 -1.77 118.16 125.88 3maa n LYS 906 Ca -0.12 -1.36 -0.21 0.00 -2.02 0.00 0.00 58.31 54.60 3maa n LYS 906 Cb 0.48 -3.27 0.03 0.00 -0.02 0.00 0.00 35.03 32.25 3maa n LYS 906 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3maa n GLU 907 N 7.84 -4.52 -0.49 1.97 4.71 -0.71 -2.33 120.64 127.10 3maa n GLU 907 Ca 0.40 0.89 0.00 0.00 -0.01 0.00 0.00 57.16 58.44 3maa n GLU 907 Cb 0.45 -5.67 0.00 0.00 -1.01 0.00 0.00 31.44 25.21 3maa n GLU 907 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3maa n GLY 908 N -1.47 0.75 0.07 0.62 0.00 -0.73 -4.82 105.19 99.61 3maa n GLY 908 Ca -0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 3maa n GLY 908 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3maa h LEU 909 N 0.00 -0.01 -0.94 0.99 6.46 -1.68 -3.15 115.31 116.98 3maa h LEU 909 Ca 0.00 -0.84 0.00 0.00 -0.12 0.00 0.00 57.88 56.92 3maa h LEU 909 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 3maa h LEU 909 CO 0.00 0.89 0.58 -0.33 -0.62 0.00 0.00 178.44 178.96 3maa h GLU 910 N -0.96 0.00 0.00 1.25 4.39 -1.86 0.32 114.58 117.73 3maa h GLU 910 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 3maa h GLU 910 Cb 0.84 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.49 3maa h GLU 910 CO 0.00 0.00 -0.24 0.00 -1.16 0.00 0.00 179.01 177.61 3maa h LEU 912 N -1.00 0.00 -0.91 0.00 3.38 -0.68 2.04 115.31 118.14 3maa h LEU 912 Ca -0.04 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3maa h LEU 912 Cb 0.47 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3maa h LEU 912 CO -0.02 0.00 0.05 -0.09 0.09 0.00 0.00 178.44 178.47 3maa h ARG 913 N 0.00 0.85 0.00 1.13 9.65 -0.53 -2.11 114.38 123.37 3maa h ARG 913 Ca 0.88 -0.21 -0.20 0.00 -1.10 0.00 0.00 59.98 59.34 3maa h ARG 913 Cb 3.58 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 32.02 3maa h ARG 913 CO -0.01 0.82 -1.00 1.25 2.80 0.00 0.00 179.97 183.83 3maa h LEU 914 N 0.80 0.00 -0.29 3.80 5.85 0.32 -1.47 115.31 124.33 3maa h LEU 914 Ca 0.16 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3maa h LEU 914 Cb 0.41 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3maa h LEU 914 CO 0.01 0.94 0.11 0.25 -0.34 0.00 0.00 178.44 179.42 3maa h LEU 915 N 0.00 0.40 0.12 2.25 5.85 -1.04 -2.00 115.31 120.89 3maa h LEU 915 Ca -0.03 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.54 3maa h LEU 915 Cb 1.74 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.62 3maa h LEU 915 CO 0.12 0.46 -0.41 -1.13 -0.34 0.00 0.00 178.44 177.14 3maa h ASN 916 N 0.32 -1.21 -0.17 1.25 -1.24 -1.31 0.21 115.58 113.43 3maa h ASN 916 Ca 0.10 0.13 0.05 0.00 0.71 0.00 0.00 56.30 57.29 3maa h ASN 916 Cb 0.19 0.45 -0.01 0.00 0.73 0.00 0.00 38.32 39.69 3maa h ASN 916 CO -0.01 -0.48 0.40 -0.33 -1.29 0.00 0.00 177.43 175.72 3maa h GLU 917 N -0.64 0.00 0.00 6.67 4.39 -0.95 -1.21 114.58 122.84 3maa h GLU 917 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3maa h GLU 917 Cb 0.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 3maa h GLU 917 CO -0.24 0.00 -0.25 -0.89 -1.16 0.00 0.00 179.01 176.47 3maa n ILE 918 N -3.21 0.67 -0.33 3.13 5.41 -0.70 -3.23 119.36 121.09 3maa n ILE 918 Ca 0.02 0.37 0.23 0.00 1.00 0.00 0.00 62.75 64.36 3maa n ILE 918 Cb 0.50 -1.92 0.43 0.00 -0.71 0.00 0.00 39.64 37.94 3maa n ILE 918 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3maa h ILE 919 N -0.47 0.04 0.74 1.39 2.04 -0.47 0.78 117.51 121.56 3maa h ILE 919 Ca 0.00 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 3maa h ILE 919 Cb 0.25 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 3maa h ILE 919 CO 0.00 0.01 -0.41 0.00 0.00 0.00 0.00 178.15 177.75 3maa h ALA 920 N 1.97 -1.25 -1.34 1.87 0.00 -1.43 -1.20 119.26 117.88 3maa h ALA 920 Ca 0.71 -0.23 0.39 0.00 0.00 0.00 0.00 54.91 55.78 3maa h ALA 920 Cb 1.69 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 19.91 3maa h ALA 920 CO -0.82 -1.20 1.10 -0.44 0.00 0.00 0.00 179.25 177.89 3maa h ASP 921 N -1.06 0.00 0.06 0.00 5.19 0.47 0.46 116.42 121.53 3maa h ASP 921 Ca -0.10 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.19 3maa h ASP 921 Cb 0.83 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.36 3maa h ASP 921 CO 0.13 0.00 -0.49 -0.26 -3.12 0.00 0.00 179.24 175.50 3maa h PHE 922 N 0.00 0.38 -0.24 4.55 0.04 -0.31 -3.32 116.94 118.04 3maa h PHE 922 Ca 0.64 -0.25 -0.03 0.00 2.80 0.00 0.00 57.97 61.12 3maa h PHE 922 Cb 2.84 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 40.95 3maa h PHE 922 CO 0.00 1.14 -0.00 -0.44 -0.60 0.00 0.00 178.31 178.41 3maa h ASP 923 N -0.48 0.33 -0.11 2.17 3.32 0.10 0.14 116.42 121.87 3maa h ASP 923 Ca -0.08 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 56.96 3maa h ASP 923 Cb 1.32 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.78 3maa h ASP 923 CO 0.09 0.39 0.65 0.44 -1.72 0.00 0.00 179.24 179.09 3maa h ASP 924 N 0.35 0.00 0.63 6.45 5.19 -0.94 0.23 116.42 128.33 3maa h ASP 924 Ca 0.08 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.22 3maa h ASP 924 Cb 0.24 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.73 3maa h ASP 924 CO 0.01 0.00 -1.41 -0.07 -3.12 0.00 0.00 179.24 174.65 3maa h LEU 925 N 0.00 0.18 -0.67 1.55 3.38 -0.86 -3.32 115.31 115.57 3maa h LEU 925 Ca 0.05 -0.25 0.14 0.00 0.09 0.00 0.00 57.88 57.91 3maa h LEU 925 Cb 1.35 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.94 3maa h LEU 925 CO -0.00 1.21 0.15 -0.07 0.09 0.00 0.00 178.44 179.82 3maa h LEU 926 N 0.03 -0.01 -0.98 1.67 3.38 -0.61 -0.90 115.31 117.90 3maa h LEU 926 Ca -0.18 0.13 0.19 0.00 0.09 0.00 0.00 57.88 58.11 3maa h LEU 926 Cb 1.94 0.18 -0.11 0.00 0.09 0.00 0.00 40.66 42.76 3maa h LEU 926 CO 0.13 -0.02 0.57 0.28 0.09 0.00 0.00 178.44 179.50 3maa h SER 927 N 0.26 0.71 -0.73 -0.43 0.02 -1.65 -3.38 113.55 108.35 3maa h SER 927 Ca 0.37 0.10 -0.47 0.00 -0.84 0.00 0.00 61.79 60.95 3maa h SER 927 Cb 0.59 -0.02 0.08 0.00 0.14 0.00 0.00 62.40 63.19 3maa h SER 927 CO -0.47 0.23 -0.39 0.29 -1.14 0.00 0.00 176.83 175.35 3maa n LYS 928 N -4.81 0.00 -0.02 3.45 4.76 -0.34 -4.78 118.16 116.41 3maa n LYS 928 Ca 0.23 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.54 3maa n LYS 928 Cb 0.58 -0.70 -0.08 0.00 -1.84 0.00 0.00 35.03 32.99 3maa n LYS 928 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 3maa h PRO 929 N 0.67 0.12 0.00 1.97 0.13 -1.87 -2.80 132.00 130.21 3maa h PRO 929 Ca -0.20 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3maa h PRO 929 Cb 1.01 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3maa h PRO 929 CO 0.39 0.44 0.00 0.36 -0.23 0.00 0.00 178.00 178.97 3maa n LYS 930 N -4.83 0.10 -0.07 0.86 2.85 -1.26 -0.36 118.16 115.44 3maa n LYS 930 Ca -0.07 0.20 0.07 0.00 -1.05 0.00 0.00 58.31 57.45 3maa n LYS 930 Cb 0.22 -1.50 0.09 0.00 -0.65 0.00 0.00 35.03 33.19 3maa n LYS 930 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3maa n PHE 931 N -1.24 0.00 -0.21 5.58 3.72 -1.13 -4.72 117.46 119.46 3maa n PHE 931 Ca 0.03 -0.80 0.30 0.00 -0.05 0.00 0.00 57.45 56.93 3maa n PHE 931 Cb 0.04 -0.12 0.73 0.00 -0.94 0.00 0.00 39.48 39.19 3maa n PHE 931 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3maa h SER 932 N 0.00 0.00 1.27 4.37 4.64 -0.44 0.75 113.55 124.14 3maa h SER 932 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 3maa h SER 932 Cb 0.89 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 3maa h SER 932 CO 0.00 0.00 -0.44 1.23 -0.87 0.00 0.00 176.83 176.75 3maa h GLY 933 N 0.00 0.00 -4.28 -0.77 0.00 -1.84 -3.46 103.07 92.72 3maa h GLY 933 Ca 0.46 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 47.26 3maa h GLY 933 CO -0.00 0.00 0.60 0.14 0.00 0.00 0.00 176.54 177.28 3maa s VAL 934 N -3.19 3.52 -0.22 4.60 1.01 0.25 -4.56 120.40 121.81 3maa s VAL 934 Ca 0.03 1.21 -0.02 0.00 0.00 0.00 0.00 61.98 63.20 3maa s VAL 934 Cb 0.09 -3.77 0.07 0.00 0.00 0.00 0.00 36.38 32.76 3maa s VAL 934 CO 0.72 0.16 0.03 -0.70 0.00 0.00 0.00 175.10 175.31 3maa s GLU 935 N 0.17 0.85 0.49 2.72 2.12 -0.72 -4.97 118.70 119.36 3maa s GLU 935 Ca 0.56 -0.64 -0.23 0.00 0.36 0.00 0.00 54.97 55.03 3maa s GLU 935 Cb -0.34 -2.18 -0.08 0.00 0.26 0.00 0.00 34.13 31.79 3maa s GLU 935 CO 0.35 -0.69 1.19 1.17 -0.54 0.00 0.00 175.26 176.74 3maa n LYS 936 N 4.94 1.56 -0.06 4.30 4.81 -1.26 -2.50 118.16 129.95 3maa n LYS 936 Ca -0.08 0.57 -0.08 0.00 -0.87 0.00 0.00 58.31 57.84 3maa n LYS 936 Cb 0.46 -2.33 -0.05 0.00 0.02 0.00 0.00 35.03 33.12 3maa n LYS 936 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 3maa n ILE 937 N -0.80 0.68 0.00 3.15 2.08 -0.11 -4.93 119.36 119.44 3maa n ILE 937 Ca 0.10 -0.26 0.00 0.00 0.56 0.00 0.00 62.75 63.15 3maa n ILE 937 Cb 0.42 -0.95 0.00 0.00 -0.75 0.00 0.00 39.64 38.36 3maa n ILE 937 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 3maa n LYS 938 N -2.88 0.00 -5.04 0.38 2.85 -1.23 -4.85 118.16 107.39 3maa n LYS 938 Ca -0.21 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.73 3maa n LYS 938 Cb 0.72 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 34.95 3maa n LYS 938 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 3maa s THR 939 N -2.00 2.51 -0.34 0.58 -4.23 -1.26 -1.90 115.64 108.99 3maa s THR 939 Ca 0.00 -0.87 -0.04 0.00 -1.18 0.00 0.00 61.69 59.59 3maa s THR 939 Cb 0.00 -1.99 0.06 0.00 1.34 0.00 0.00 72.50 71.91 3maa s THR 939 CO 0.00 0.55 0.09 -0.63 -0.54 0.00 0.00 174.62 174.09 3maa s ILE 940 N 0.16 3.43 0.00 2.99 1.01 0.37 -4.88 121.20 124.27 3maa s ILE 940 Ca -0.11 -1.39 0.00 0.00 0.00 0.00 0.00 60.65 59.15 3maa s ILE 940 Cb -0.16 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.29 3maa s ILE 940 CO 0.06 -0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.36 3maa n GLY 941 N 4.71 2.77 1.65 6.18 0.00 -1.26 0.12 105.19 119.36 3maa n GLY 941 Ca -0.11 0.32 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 3maa n GLY 941 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3maa n SER 942 N 7.12 3.27 -4.46 1.61 3.41 -1.26 -4.94 113.62 118.37 3maa n SER 942 Ca 0.00 -3.62 -0.34 0.00 -0.26 0.00 0.00 58.87 54.65 3maa n SER 942 Cb 0.00 -0.72 -0.13 0.00 -0.26 0.00 0.00 64.21 63.10 3maa n SER 942 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3maa s THR 943 N -3.23 3.72 -0.03 6.66 2.01 0.32 -3.50 115.64 121.60 3maa s THR 943 Ca 0.50 -0.41 -0.12 0.00 0.31 0.00 0.00 61.69 61.97 3maa s THR 943 Cb 0.44 -2.63 -0.05 0.00 0.01 0.00 0.00 72.50 70.26 3maa s THR 943 CO 0.06 0.49 0.33 -0.47 -0.69 0.00 0.00 174.62 174.34 3maa s TYR 944 N 0.49 3.69 -0.06 4.92 5.04 0.47 0.14 117.35 132.04 3maa s TYR 944 Ca -0.04 0.85 0.00 0.00 -2.44 0.00 0.00 57.07 55.44 3maa s TYR 944 Cb -0.15 -2.18 0.02 0.00 0.35 0.00 0.00 41.96 40.01 3maa s TYR 944 CO 0.03 0.67 -0.04 1.41 -1.34 0.00 0.00 175.55 176.28 3maa s MET 945 N -1.11 0.88 0.08 4.97 1.75 -0.80 -1.40 119.30 123.66 3maa s MET 945 Ca 0.22 -0.07 -0.21 0.00 -1.25 0.00 0.00 55.69 54.37 3maa s MET 945 Cb -0.15 -0.98 0.05 0.00 2.84 0.00 0.00 34.83 36.59 3maa s MET 945 CO 0.11 -0.16 0.50 0.00 -0.65 0.00 0.00 175.02 174.82 3maa s ALA 946 N 1.30 -1.28 0.01 4.11 0.00 -0.63 -0.93 121.76 124.34 3maa s ALA 946 Ca -0.05 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.37 3maa s ALA 946 Cb -0.14 0.51 -0.01 0.00 0.00 0.00 0.00 23.12 23.48 3maa s ALA 946 CO -0.02 -0.56 -0.02 0.00 0.00 0.00 0.00 175.76 175.15 3maa s ALA 947 N -2.87 0.13 -0.08 0.00 0.00 -1.04 -1.34 121.76 116.55 3maa s ALA 947 Ca -0.03 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 51.62 3maa s ALA 947 Cb -0.00 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 3maa s ALA 947 CO -0.05 -0.06 -0.09 0.95 0.00 0.00 0.00 175.76 176.51 3maa s THR 948 N -0.72 3.50 0.00 0.00 -4.23 -0.94 -1.75 115.64 111.51 3maa s THR 948 Ca -0.07 -0.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.90 3maa s THR 948 Cb -0.05 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.35 3maa s THR 948 CO -0.00 0.57 0.00 0.61 -0.54 0.00 0.00 174.62 175.26 3maa n GLY 949 N 2.58 2.83 0.01 3.99 0.00 -1.26 -1.14 105.19 112.20 3maa n GLY 949 Ca -0.18 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3maa n GLY 949 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3maa n LEU 950 N 0.00 0.01 -0.19 0.99 4.32 -1.26 -2.18 117.00 118.69 3maa n LEU 950 Ca 0.00 -0.00 0.13 0.00 -0.02 0.00 0.00 56.01 56.12 3maa n LEU 950 Cb 0.00 -0.00 0.40 0.00 -1.62 0.00 0.00 43.42 42.20 3maa n LEU 950 CO 0.00 0.00 0.66 -1.20 -1.22 0.00 0.00 177.39 175.64 3maa n SER 951 N -0.49 0.84 0.00 -1.43 7.64 -1.26 -5.22 113.62 113.71 3maa n SER 951 Ca 0.00 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 59.16 3maa n SER 951 Cb 0.00 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 3maa n SER 951 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3maa n ALA 952 N -0.83 0.00 0.00 -0.43 0.00 -0.93 -5.25 120.51 113.07 3maa n ALA 952 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3maa n ALA 952 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 3maa n ALA 952 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3maa n ARG 964 N 0.00 0.00 -0.01 0.00 3.00 -1.26 -5.16 116.66 113.23 3maa n ARG 964 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 57.89 3maa n ARG 964 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.37 3maa n ARG 964 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 3maa n GLN 965 N 0.00 0.67 -0.30 -0.14 7.27 -1.26 -4.45 117.38 119.17 3maa n GLN 965 Ca 0.00 -0.09 0.10 0.00 0.07 0.00 0.00 57.00 57.08 3maa n GLN 965 Cb 0.00 -1.27 0.26 0.00 2.41 0.00 0.00 30.24 31.64 3maa n GLN 965 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3maa n TYR 966 N -1.98 0.79 -0.23 3.69 4.01 -1.26 -4.53 117.16 117.65 3maa n TYR 966 Ca -0.05 -0.50 0.26 0.00 -0.16 0.00 0.00 57.90 57.45 3maa n TYR 966 Cb 0.39 -0.01 0.64 0.00 -0.31 0.00 0.00 39.34 40.04 3maa n TYR 966 CO 0.00 0.00 0.00 1.98 -0.46 0.00 0.00 176.86 178.38 3maa h MET 967 N 3.46 0.17 -0.10 -0.72 4.05 -2.02 -2.59 114.93 117.19 3maa h MET 967 Ca 0.00 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.36 3maa h MET 967 Cb 0.90 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.65 3maa h MET 967 CO 0.00 0.11 -0.18 1.12 0.23 0.00 0.00 176.91 178.19 3maa h HIS 968 N 0.17 0.17 -0.11 1.39 2.07 -1.94 0.01 115.15 116.90 3maa h HIS 968 Ca 0.47 -0.02 -0.02 0.00 -2.85 0.00 0.00 60.37 57.95 3maa h HIS 968 Cb 1.57 -0.05 -0.00 0.00 2.57 0.00 0.00 27.41 31.50 3maa h HIS 968 CO -0.00 0.34 -0.02 0.82 -3.07 0.00 0.00 177.93 176.00 3maa h ILE 969 N 0.15 1.28 -0.21 6.12 2.04 -1.79 -2.52 117.51 122.57 3maa h ILE 969 Ca 0.03 -0.93 0.06 0.00 1.00 0.00 0.00 64.86 65.02 3maa h ILE 969 Cb 0.42 1.68 -0.07 0.00 -0.74 0.00 0.00 36.82 38.11 3maa h ILE 969 CO 0.03 0.26 -0.29 1.23 0.00 0.00 0.00 178.15 179.38 3maa h GLY 970 N -0.10 -0.31 -0.54 5.37 0.00 -1.50 -2.33 103.07 103.66 3maa h GLY 970 Ca 0.03 0.36 0.05 0.00 0.00 0.00 0.00 47.33 47.78 3maa h GLY 970 CO 0.01 -0.21 -0.43 -0.84 0.00 0.00 0.00 176.54 175.07 3maa h THR 971 N -0.32 0.00 -0.62 4.70 2.02 -1.00 -2.38 112.91 115.31 3maa h THR 971 Ca 0.12 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.41 3maa h THR 971 Cb 0.51 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.81 3maa h THR 971 CO -0.39 0.00 -0.31 -0.03 0.37 0.00 0.00 175.52 175.15 3maa h MET 972 N -0.14 -0.13 -0.80 6.66 -1.53 -0.97 0.26 114.93 118.27 3maa h MET 972 Ca 0.09 0.01 0.15 0.00 -3.44 0.00 0.00 59.70 56.51 3maa h MET 972 Cb 0.37 0.03 -0.10 0.00 -0.55 0.00 0.00 31.60 31.35 3maa h MET 972 CO -0.58 -0.09 0.35 0.28 0.14 0.00 0.00 176.91 177.02 3maa h VAL 973 N -0.13 0.66 0.00 -5.77 2.07 -1.14 0.66 116.25 112.59 3maa h VAL 973 Ca 0.25 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 3maa h VAL 973 Cb 0.55 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3maa h VAL 973 CO -0.70 0.09 -0.01 -0.33 0.02 0.00 0.00 177.57 176.64 3maa h GLU 974 N 0.49 0.00 0.22 1.57 4.39 -0.27 -1.54 114.58 119.45 3maa h GLU 974 Ca 0.45 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.14 3maa h GLU 974 Cb 0.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 3maa h GLU 974 CO -0.41 0.01 -0.11 0.35 -1.16 0.00 0.00 179.01 177.70 3maa h PHE 975 N 0.00 -0.28 0.01 4.33 3.57 0.97 -2.96 116.94 122.58 3maa h PHE 975 Ca -0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 3maa h PHE 975 Cb 0.29 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.08 3maa h PHE 975 CO 0.00 0.11 -0.42 0.00 -2.23 0.00 0.00 178.31 175.77 3maa h ALA 976 N -0.35 -0.86 -0.98 2.41 0.00 -0.18 0.26 119.26 119.56 3maa h ALA 976 Ca -0.03 -0.07 0.33 0.00 0.00 0.00 0.00 54.91 55.14 3maa h ALA 976 Cb 0.51 0.85 -0.16 0.00 0.00 0.00 0.00 17.79 18.99 3maa h ALA 976 CO 0.05 -0.98 0.42 1.88 0.00 0.00 0.00 179.25 180.62 3maa h TYR 977 N -0.53 0.64 0.00 0.00 0.05 -1.44 0.26 116.97 115.95 3maa h TYR 977 Ca 0.01 0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.83 3maa h TYR 977 Cb 0.57 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.19 3maa h TYR 977 CO -0.48 -0.33 0.00 0.00 -1.05 0.00 0.00 178.16 176.30 3maa n ALA 978 N -2.48 1.75 0.12 3.88 0.00 0.03 -1.97 120.51 121.84 3maa n ALA 978 Ca 0.31 0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.60 3maa n ALA 978 Cb 1.01 -1.39 -0.14 0.00 0.00 0.00 0.00 19.45 18.93 3maa n ALA 978 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3maa h LEU 979 N 0.00 0.69 -1.57 0.00 3.38 0.01 -2.63 115.31 115.19 3maa h LEU 979 Ca 0.00 -0.70 0.04 0.00 0.09 0.00 0.00 57.88 57.31 3maa h LEU 979 Cb 0.40 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3maa h LEU 979 CO 0.00 1.53 0.34 0.58 0.09 0.00 0.00 178.44 180.99 3maa h VAL 980 N 0.16 1.03 0.36 1.22 2.07 -1.38 2.11 116.25 121.82 3maa h VAL 980 Ca -0.19 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 3maa h VAL 980 Cb 2.00 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 3maa h VAL 980 CO 0.24 0.10 -0.17 1.23 0.02 0.00 0.00 177.57 178.98 3maa h GLY 981 N 0.55 -0.50 -0.27 2.17 0.00 -1.49 -0.95 103.07 102.58 3maa h GLY 981 Ca 0.21 0.19 0.17 0.00 0.00 0.00 0.00 47.33 47.90 3maa h GLY 981 CO -0.06 -0.18 0.05 0.50 0.00 0.00 0.00 176.54 176.85 3maa h LYS 982 N -0.69 0.14 -0.19 4.80 6.56 -0.83 -2.66 116.57 123.69 3maa h LYS 982 Ca -0.05 -0.01 -0.07 0.00 -1.06 0.00 0.00 60.65 59.47 3maa h LYS 982 Cb 0.49 -0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 32.11 3maa h LYS 982 CO 0.08 0.09 -0.14 1.25 -2.06 0.00 0.00 179.45 178.67 3maa h LEU 983 N 0.14 0.46 -0.43 2.94 5.85 0.35 -2.30 115.31 122.33 3maa h LEU 983 Ca 0.41 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3maa h LEU 983 Cb 0.72 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.62 3maa h LEU 983 CO -0.62 0.81 0.00 0.47 -0.34 0.00 0.00 178.44 178.76 3maa n ASP 984 N -4.52 0.22 0.10 1.25 9.92 -0.37 -0.24 116.55 122.91 3maa n ASP 984 Ca -0.05 0.58 -0.16 0.00 -0.53 0.00 0.00 54.79 54.64 3maa n ASP 984 Cb 0.36 -0.62 -0.13 0.00 -0.64 0.00 0.00 41.12 40.09 3maa n ASP 984 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3maa h ALA 985 N 2.14 0.13 0.04 2.24 0.00 -1.06 -3.20 119.26 119.55 3maa h ALA 985 Ca 0.00 -0.87 -0.00 0.00 0.00 0.00 0.00 54.91 54.04 3maa h ALA 985 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3maa h ALA 985 CO 0.00 0.96 -0.02 0.82 0.00 0.00 0.00 179.25 181.01 3maa h ILE 986 N 0.09 1.30 -0.68 0.00 1.08 -0.37 -3.16 117.51 115.77 3maa h ILE 986 Ca -0.13 -1.20 0.13 0.00 -0.39 0.00 0.00 64.86 63.27 3maa h ILE 986 Cb 1.93 2.09 -0.13 0.00 -3.07 0.00 0.00 36.82 37.64 3maa h ILE 986 CO 0.20 0.30 -0.26 0.78 -0.69 0.00 0.00 178.15 178.48 3maa h ASN 987 N -0.59 -0.94 -0.99 1.72 2.35 -1.47 0.33 115.58 115.98 3maa h ASN 987 Ca -0.01 0.23 0.26 0.00 -0.55 0.00 0.00 56.30 56.23 3maa h ASN 987 Cb 0.53 0.53 -0.19 0.00 0.05 0.00 0.00 38.32 39.24 3maa h ASN 987 CO 0.01 -0.27 -0.02 0.50 -1.65 0.00 0.00 177.43 176.00 3maa h LYS 988 N -0.07 0.00 0.00 0.81 1.63 -1.54 -0.29 116.57 117.12 3maa h LYS 988 Ca 0.30 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.10 3maa h LYS 988 Cb 0.55 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 3maa h LYS 988 CO -0.73 0.00 -1.08 0.72 -3.45 0.00 0.00 179.45 174.91 3maa n HIS 989 N -5.52 0.00 -0.00 1.91 8.25 0.02 -4.02 115.22 115.86 3maa n HIS 989 Ca 0.22 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.79 3maa n HIS 989 Cb 0.72 -0.10 0.24 0.00 1.12 0.00 0.00 29.99 31.97 3maa n HIS 989 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3maa n SER 990 N -1.59 3.51 -3.75 0.41 3.41 0.95 -4.98 113.62 111.58 3maa n SER 990 Ca 0.02 -1.97 -0.29 0.00 -0.26 0.00 0.00 58.87 56.37 3maa n SER 990 Cb 0.32 -0.32 0.02 0.00 -0.26 0.00 0.00 64.21 63.96 3maa n SER 990 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3maa n PHE 991 N 1.38 -1.97 -4.01 7.33 3.72 -0.20 -4.94 117.46 118.77 3maa n PHE 991 Ca 0.20 0.60 -0.12 0.00 -0.05 0.00 0.00 57.45 58.07 3maa n PHE 991 Cb 0.57 -3.09 -0.03 0.00 -0.94 0.00 0.00 39.48 35.99 3maa n PHE 991 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3maa s ASN 992 N -3.23 0.51 -0.22 4.37 3.84 -1.07 -5.08 114.94 114.06 3maa s ASN 992 Ca 0.23 -1.29 -0.04 0.00 0.21 0.00 0.00 52.86 51.97 3maa s ASN 992 Cb -0.11 0.68 0.07 0.00 -0.55 0.00 0.00 41.25 41.35 3maa s ASN 992 CO 0.89 -1.34 0.10 -0.62 -2.79 0.00 0.00 177.10 173.34 3maa s ASP 993 N -3.15 2.87 -0.13 -4.21 2.15 -1.26 -4.65 116.67 108.28 3maa s ASP 993 Ca 0.26 -0.90 0.01 0.00 0.43 0.00 0.00 52.55 52.35 3maa s ASP 993 Cb -0.01 -0.35 0.02 0.00 -0.30 0.00 0.00 42.92 42.27 3maa s ASP 993 CO 0.16 -0.37 -0.14 -0.36 -0.17 0.00 0.00 175.17 174.28 3maa s PHE 994 N 2.06 2.03 0.18 -5.34 0.08 -1.26 -4.96 117.98 110.76 3maa s PHE 994 Ca 0.04 -1.05 0.03 0.00 0.12 0.00 0.00 56.93 56.07 3maa s PHE 994 Cb -0.16 -1.49 -0.03 0.00 -0.57 0.00 0.00 43.02 40.76 3maa s PHE 994 CO -0.18 -0.57 0.30 0.15 -0.10 0.00 0.00 175.22 174.81 3maa s LYS 995 N 1.29 3.40 0.02 0.44 -0.14 -1.26 -4.83 119.74 118.67 3maa s LYS 995 Ca 0.00 -0.67 0.00 0.00 -1.36 0.00 0.00 55.97 53.95 3maa s LYS 995 Cb -0.14 -2.92 -0.04 0.00 -1.68 0.00 0.00 37.83 33.05 3maa s LYS 995 CO -0.07 0.49 0.08 -1.17 -0.76 0.00 0.00 175.35 173.93 3maa s LEU 996 N -3.45 3.88 -0.48 3.17 2.96 -1.26 -4.41 118.68 119.09 3maa s LEU 996 Ca 0.34 0.11 0.03 0.00 -0.22 0.00 0.00 54.13 54.39 3maa s LEU 996 Cb -0.10 -2.35 0.12 0.00 0.50 0.00 0.00 46.19 44.37 3maa s LEU 996 CO 0.28 0.24 0.22 -0.13 -1.32 0.00 0.00 176.35 175.65 3maa s ARG 997 N -1.92 1.92 -0.08 1.98 1.81 0.41 -0.79 118.95 122.28 3maa s ARG 997 Ca 0.25 -2.38 -0.19 0.00 -1.72 0.00 0.00 55.73 51.68 3maa s ARG 997 Cb -0.12 -3.35 -0.04 0.00 -0.45 0.00 0.00 34.95 30.98 3maa s ARG 997 CO 0.16 -1.07 0.52 0.08 -0.68 0.00 0.00 175.30 174.31 3maa s VAL 998 N 0.11 5.11 -0.03 3.52 1.01 -1.24 -1.87 120.40 127.01 3maa s VAL 998 Ca 0.15 1.05 0.07 0.00 0.00 0.00 0.00 61.98 63.26 3maa s VAL 998 Cb -0.23 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 3maa s VAL 998 CO -0.03 0.35 -0.24 -0.83 0.00 0.00 0.00 175.10 174.35 3maa s GLY 999 N 0.37 1.31 0.07 4.51 0.00 0.12 -2.82 107.32 110.87 3maa s GLY 999 Ca 0.28 -1.10 0.01 0.00 0.00 0.00 0.00 44.72 43.91 3maa s GLY 999 CO 0.13 -0.89 -0.05 -0.42 0.00 0.00 0.00 173.10 171.87 3maa s ILE 1000N -0.59 0.47 0.00 0.90 1.01 -1.15 -0.53 121.20 121.31 3maa s ILE 1000Ca 0.09 -1.70 0.00 0.00 0.00 0.00 0.00 60.65 59.05 3maa s ILE 1000Cb -0.10 -1.37 0.00 0.00 0.01 0.00 0.00 42.46 41.00 3maa s ILE 1000CO -0.00 -0.82 0.00 -3.20 0.00 0.00 0.00 174.94 170.92 3maa n ASN 1001N 0.34 0.00 -3.53 3.58 4.05 -0.38 -4.19 115.26 115.14 3maa n ASN 1001Ca -0.15 -0.94 -0.08 0.00 0.45 0.00 0.00 54.58 53.87 3maa n ASN 1001Cb 0.60 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 41.59 3maa n ASN 1001CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 177.26 172.83 3maa s HIS 1002N -6.23 -0.31 -3.04 1.20 -3.43 -1.25 -0.78 115.29 101.44 3maa s HIS 1002Ca 0.00 0.17 0.00 0.00 -0.80 0.00 0.00 55.06 54.43 3maa s HIS 1002Cb 0.00 0.54 0.00 0.00 -1.43 0.00 0.00 32.58 31.69 3maa s HIS 1002CO 0.00 -0.53 0.00 0.41 -2.00 0.00 0.00 174.74 172.62 3maa n GLY 1003N -0.25 0.79 3.64 -1.38 0.00 -0.42 -4.92 105.19 102.66 3maa n GLY 1003Ca -0.08 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 3maa n GLY 1003CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3maa s PRO 1004N -1.22 3.89 0.38 1.61 0.02 -1.11 -3.21 135.00 135.38 3maa s PRO 1004Ca 0.00 2.39 0.04 0.00 0.02 0.00 0.00 61.00 63.45 3maa s PRO 1004Cb 0.00 -4.19 -0.04 0.00 0.02 0.00 0.00 34.50 30.30 3maa s PRO 1004CO 0.00 -1.23 0.10 0.14 -0.33 0.00 0.00 177.00 175.68 3maa s VAL 1005N 5.34 0.78 0.16 3.83 -7.23 -1.25 -3.99 120.40 118.04 3maa s VAL 1005Ca 0.89 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 59.13 3maa s VAL 1005Cb -0.39 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 3maa s VAL 1005CO 0.38 0.00 -0.16 -0.63 -0.31 0.00 0.00 175.10 174.39 3maa s ILE 1006N -3.25 1.63 -0.43 -0.62 1.09 -0.94 -2.21 121.20 116.47 3maa s ILE 1006Ca 0.27 -1.94 0.05 0.00 -1.10 0.00 0.00 60.65 57.93 3maa s ILE 1006Cb 0.04 -1.81 0.18 0.00 -1.06 0.00 0.00 42.46 39.82 3maa s ILE 1006CO 0.14 -0.44 0.45 0.00 -0.10 0.00 0.00 174.94 175.00 3maa n ALA 1007N 0.16 1.69 -3.00 9.38 0.00 -0.98 -2.29 120.51 125.47 3maa n ALA 1007Ca -0.12 -2.64 0.00 0.00 0.00 0.00 0.00 53.44 50.68 3maa n ALA 1007Cb 0.58 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.10 3maa n ALA 1007CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3maa n GLY 1008N 2.70 5.12 2.97 0.00 0.00 -1.24 -4.54 105.19 110.20 3maa n GLY 1008Ca 0.26 -1.70 -0.24 0.00 0.00 0.00 0.00 46.02 44.34 3maa n GLY 1008CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3maa s VAL 1009N 2.43 0.99 -0.14 1.61 1.01 -1.26 -3.16 120.40 121.88 3maa s VAL 1009Ca 0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 3maa s VAL 1009Cb 0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 3maa s VAL 1009CO 0.00 0.33 -0.07 -0.51 0.00 0.00 0.00 175.10 174.86 3maa s ILE 1010N 0.99 3.63 0.41 2.22 1.10 -1.22 -4.90 121.20 123.44 3maa s ILE 1010Ca -0.09 -0.45 0.00 0.00 -0.51 0.00 0.00 60.65 59.60 3maa s ILE 1010Cb -0.15 -2.57 0.00 0.00 0.15 0.00 0.00 42.46 39.89 3maa s ILE 1010CO -0.00 0.51 0.00 0.61 -2.11 0.00 0.00 174.94 173.95 3maa n GLY 1011N 3.48 -4.55 0.13 1.50 0.00 -1.26 -4.01 105.19 100.48 3maa n GLY 1011Ca -0.18 -0.68 -0.00 0.00 0.00 0.00 0.00 46.02 45.16 3maa n GLY 1011CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3maa h ALA 1012N 1.81 0.79 -0.34 4.61 0.00 -2.01 -3.27 119.26 120.85 3maa h ALA 1012Ca 0.00 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 3maa h ALA 1012Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3maa h ALA 1012CO 0.00 0.80 0.20 1.96 0.00 0.00 0.00 179.25 182.21 3maa h GLN 1013N 0.00 0.47 -3.91 0.00 7.50 -2.04 -3.33 115.11 113.80 3maa h GLN 1013Ca -0.01 -0.05 -0.52 0.00 0.50 0.00 0.00 58.65 58.58 3maa h GLN 1013Cb 1.25 -0.10 -0.38 0.00 0.05 0.00 0.00 27.48 28.30 3maa h GLN 1013CO 0.08 0.37 -0.78 0.15 -1.50 0.00 0.00 178.83 177.15 3maa s LYS 1014N -5.96 1.06 -0.41 1.46 3.01 -1.26 -5.12 119.74 112.52 3maa s LYS 1014Ca -0.13 -0.35 -0.26 0.00 -1.01 0.00 0.00 55.97 54.22 3maa s LYS 1014Cb 0.10 -1.79 0.02 0.00 -1.01 0.00 0.00 37.83 35.15 3maa s LYS 1014CO 0.72 -0.45 0.95 -2.14 0.51 0.00 0.00 175.35 174.94 3maa s PRO 1015N 1.77 3.72 -0.01 -1.68 0.02 -1.23 -4.61 135.00 132.97 3maa s PRO 1015Ca 0.01 0.43 0.05 0.00 0.02 0.00 0.00 61.00 61.51 3maa s PRO 1015Cb -0.15 -3.86 -0.01 0.00 0.02 0.00 0.00 34.50 30.50 3maa s PRO 1015CO -0.07 -1.10 -0.17 -0.65 -0.33 0.00 0.00 177.00 174.68 3maa s GLN 1016N 3.70 1.34 -0.44 5.54 -0.21 -1.26 -4.94 119.66 123.39 3maa s GLN 1016Ca 0.39 -0.60 -0.28 0.00 0.02 0.00 0.00 55.36 54.89 3maa s GLN 1016Cb -0.11 -1.30 0.03 0.00 1.00 0.00 0.00 33.01 32.63 3maa s GLN 1016CO 0.23 0.36 1.09 -0.47 -2.12 0.00 0.00 175.29 174.37 3maa s TYR 1017N -0.40 2.91 -0.22 0.91 6.14 -1.26 -3.39 117.35 122.05 3maa s TYR 1017Ca 0.06 0.77 -0.17 0.00 0.64 0.00 0.00 57.07 58.37 3maa s TYR 1017Cb -0.06 -4.19 0.06 0.00 0.42 0.00 0.00 41.96 38.18 3maa s TYR 1017CO -0.01 -1.13 0.56 0.34 0.64 0.00 0.00 175.55 175.96 3maa s ASP 1018N 2.25 -0.64 -0.19 4.32 2.15 -1.19 -4.87 116.67 118.50 3maa s ASP 1018Ca 0.46 1.17 -0.11 0.00 0.43 0.00 0.00 52.55 54.50 3maa s ASP 1018Cb -0.09 1.14 -0.05 0.00 -0.30 0.00 0.00 42.92 43.62 3maa s ASP 1018CO 0.27 -0.20 0.17 0.27 -0.17 0.00 0.00 175.17 175.50 3maa s ILE 1019N 0.70 5.39 0.53 4.11 -4.36 -1.26 -3.73 121.20 122.58 3maa s ILE 1019Ca -0.03 0.27 0.09 0.00 -0.26 0.00 0.00 60.65 60.72 3maa s ILE 1019Cb -0.05 -3.50 0.06 0.00 1.25 0.00 0.00 42.46 40.22 3maa s ILE 1019CO -0.05 0.43 0.73 0.26 0.24 0.00 0.00 174.94 176.56 3maa s TRP 1020N 0.34 1.83 0.00 1.37 0.51 -0.97 -4.94 118.94 117.08 3maa s TRP 1020Ca 0.10 -0.62 0.00 0.00 -2.12 0.00 0.00 56.10 53.46 3maa s TRP 1020Cb -0.11 -2.28 0.00 0.00 -0.81 0.00 0.00 33.47 30.27 3maa s TRP 1020CO -0.01 -0.95 0.00 0.41 -0.51 0.00 0.00 176.95 175.90 3maa n GLY 1021N -2.14 3.86 0.48 0.98 0.00 -1.26 -2.21 105.19 104.89 3maa n GLY 1021Ca 0.13 -1.66 -0.16 0.00 0.00 0.00 0.00 46.02 44.33 3maa n GLY 1021CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3maa h ASN 1022N 0.00 -1.51 -0.44 1.61 -0.00 -2.00 -2.46 115.58 110.77 3maa h ASN 1022Ca 0.00 0.15 0.12 0.00 -0.00 0.00 0.00 56.30 56.57 3maa h ASN 1022Cb 0.00 0.55 -0.08 0.00 -0.00 0.00 0.00 38.32 38.78 3maa h ASN 1022CO 0.00 -0.57 0.02 0.41 -0.00 0.00 0.00 177.43 177.28 3maa n THR 1023N -5.41 -0.18 -0.02 -3.57 -1.04 -1.26 0.89 114.28 103.69 3maa n THR 1023Ca -0.09 0.96 -0.12 0.00 -2.04 0.00 0.00 64.05 62.76 3maa n THR 1023Cb 0.41 -1.41 -0.08 0.00 -1.82 0.00 0.00 70.33 67.43 3maa n THR 1023CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3maa h VAL 1024N 0.00 1.29 -0.75 12.58 2.07 -1.73 -3.09 116.25 126.61 3maa h VAL 1024Ca 0.27 -0.89 0.17 0.00 0.82 0.00 0.00 66.70 67.07 3maa h VAL 1024Cb 0.56 1.78 -0.05 0.00 -1.52 0.00 0.00 31.29 32.06 3maa h VAL 1024CO -0.41 0.24 0.51 0.78 0.02 0.00 0.00 177.57 178.71 3maa h ASN 1025N -0.23 0.29 -0.06 0.57 2.35 0.63 -0.08 115.58 119.04 3maa h ASN 1025Ca 0.01 0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 3maa h ASN 1025Cb 0.39 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3maa h ASN 1025CO 0.01 0.14 -0.11 0.58 -1.65 0.00 0.00 177.43 176.40 3maa h VAL 1026N 0.30 1.41 -0.13 2.81 2.07 -1.47 -1.57 116.25 119.68 3maa h VAL 1026Ca 0.37 -1.39 0.04 0.00 0.82 0.00 0.00 66.70 66.54 3maa h VAL 1026Cb 1.01 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.96 3maa h VAL 1026CO -0.10 0.38 0.30 0.00 0.02 0.00 0.00 177.57 178.18 3maa h ALA 1027N 0.50 1.56 0.22 1.67 0.00 -0.95 0.41 119.26 122.67 3maa h ALA 1027Ca 0.00 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 3maa h ALA 1027Cb 0.68 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.50 3maa h ALA 1027CO 0.02 -0.36 -1.49 1.03 0.00 0.00 0.00 179.25 178.45 3maa h SER 1028N 0.00 0.73 -0.92 0.00 0.87 -0.80 -3.04 113.55 110.38 3maa h SER 1028Ca 0.06 -0.82 0.04 0.00 -1.23 0.00 0.00 61.79 59.84 3maa h SER 1028Cb 0.66 -0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 62.33 3maa h SER 1028CO -0.00 1.65 0.61 0.03 -0.53 0.00 0.00 176.83 178.59 3maa h ARG 1029N 0.13 1.12 -0.53 2.24 -0.00 0.65 -1.06 114.38 116.94 3maa h ARG 1029Ca -0.25 -0.07 0.02 0.00 -0.50 0.00 0.00 59.98 59.18 3maa h ARG 1029Cb 2.12 -0.25 -0.03 0.00 0.00 0.00 0.00 29.97 31.82 3maa h ARG 1029CO 0.25 0.74 0.35 0.52 0.00 0.00 0.00 179.97 181.83 3maa h MET 1030N 1.15 0.65 0.00 0.04 2.86 -0.81 -1.99 114.93 116.84 3maa h MET 1030Ca 0.37 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 3maa h MET 1030Cb 0.03 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.54 3maa h MET 1030CO -0.11 0.43 0.00 -3.47 1.06 0.00 0.00 176.91 174.82 3maa n ASP 1031N -4.46 0.00 0.30 1.22 -0.08 -0.79 -2.89 116.55 109.85 3maa n ASP 1031Ca 0.05 0.32 0.06 0.00 -1.51 0.00 0.00 54.79 53.71 3maa n ASP 1031Cb 0.08 -0.06 0.31 0.00 2.34 0.00 0.00 41.12 43.80 3maa n ASP 1031CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3maa h SER 1032N 0.00 0.00 0.00 1.67 4.64 -1.19 0.42 113.55 119.09 3maa h SER 1032Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3maa h SER 1032Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3maa h SER 1032CO 0.00 0.00 -0.04 0.35 -0.87 0.00 0.00 176.83 176.27 3maa n THR 1033N -2.51 1.31 -0.09 2.95 -2.24 -0.75 -5.03 114.28 107.92 3maa n THR 1033Ca -0.01 -1.50 0.00 0.00 -2.27 0.00 0.00 64.05 60.27 3maa n THR 1033Cb 0.70 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 3maa n THR 1033CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3maa n GLY 1034N -0.90 1.16 3.21 3.38 0.00 0.15 -5.01 105.19 107.19 3maa n GLY 1034Ca 0.08 -1.50 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 3maa n GLY 1034CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3maa s VAL 1035N 1.16 0.01 0.26 1.61 1.01 -1.26 -5.09 120.40 118.10 3maa s VAL 1035Ca 0.00 -0.12 -0.31 0.00 0.00 0.00 0.00 61.98 61.55 3maa s VAL 1035Cb 0.00 -0.49 -0.13 0.00 0.00 0.00 0.00 36.38 35.76 3maa s VAL 1035CO 0.00 -0.07 1.38 0.18 0.00 0.00 0.00 175.10 176.60 3maa n LEU 1036N 2.52 3.18 -0.25 3.92 4.77 -1.26 -3.15 117.00 126.72 3maa n LEU 1036Ca -0.15 1.15 -0.03 0.00 -0.03 0.00 0.00 56.01 56.95 3maa n LEU 1036Cb 0.57 -1.44 -0.01 0.00 -2.33 0.00 0.00 43.42 40.21 3maa n LEU 1036CO 0.17 -0.49 -0.03 -0.67 -1.33 0.00 0.00 177.39 175.04 3maa n ASP 1037N 1.91 -3.99 -4.29 -1.43 -0.08 0.03 -4.95 116.55 103.75 3maa n ASP 1037Ca 0.10 0.08 -0.16 0.00 -1.51 0.00 0.00 54.79 53.31 3maa n ASP 1037Cb 0.32 -1.77 -0.10 0.00 2.34 0.00 0.00 41.12 41.91 3maa n ASP 1037CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 3maa s LYS 1038N -1.54 1.37 -0.20 -0.67 -0.14 -1.19 -5.02 119.74 112.35 3maa s LYS 1038Ca 0.00 -1.73 0.02 0.00 -1.36 0.00 0.00 55.97 52.89 3maa s LYS 1038Cb 0.00 -0.17 0.03 0.00 -1.68 0.00 0.00 37.83 36.01 3maa s LYS 1038CO 0.00 -0.31 -0.17 0.42 -0.76 0.00 0.00 175.35 174.53 3maa s ILE 1039N -3.82 2.08 -0.24 2.17 1.01 -1.26 -3.62 121.20 117.51 3maa s ILE 1039Ca 0.38 -1.14 -0.08 0.00 0.00 0.00 0.00 60.65 59.81 3maa s ILE 1039Cb 0.08 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 3maa s ILE 1039CO 0.13 0.37 0.09 -1.58 0.00 0.00 0.00 174.94 173.95 3maa s GLN 1040N 1.24 3.79 0.16 2.79 0.74 -1.13 -1.42 119.66 125.84 3maa s GLN 1040Ca 0.01 -0.41 0.01 0.00 0.05 0.00 0.00 55.36 55.02 3maa s GLN 1040Cb -0.15 -3.36 -0.04 0.00 1.10 0.00 0.00 33.01 30.55 3maa s GLN 1040CO -0.11 -0.07 0.01 0.14 -0.55 0.00 0.00 175.29 174.71 3maa s VAL 1041N 1.34 0.57 0.71 1.34 -7.23 0.35 -2.96 120.40 114.52 3maa s VAL 1041Ca 0.05 -1.97 -0.09 0.00 -1.81 0.00 0.00 61.98 58.17 3maa s VAL 1041Cb -0.15 -2.10 0.04 0.00 0.56 0.00 0.00 36.38 34.73 3maa s VAL 1041CO 0.04 -0.48 1.05 0.42 -0.31 0.00 0.00 175.10 175.83 3maa s THR 1042N -3.73 2.84 0.15 5.32 -4.23 -1.26 0.50 115.64 115.23 3maa s THR 1042Ca 0.24 0.06 -0.21 0.00 -1.18 0.00 0.00 61.69 60.59 3maa s THR 1042Cb 0.06 -3.23 0.02 0.00 1.34 0.00 0.00 72.50 70.69 3maa s THR 1042CO 0.03 -0.28 1.65 -0.08 -0.54 0.00 0.00 174.62 175.41 3maa h GLU 1043N -0.63 -0.18 0.48 3.99 4.81 -1.91 0.53 114.58 121.66 3maa h GLU 1043Ca -0.45 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.77 3maa h GLU 1043Cb 1.29 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.70 3maa h GLU 1043CO 0.63 -0.12 -0.36 0.93 -0.73 0.00 0.00 179.01 179.35 3maa h GLU 1044N -0.19 -0.78 -0.86 1.92 3.07 -1.94 -2.85 114.58 112.95 3maa h GLU 1044Ca 0.13 0.05 0.22 0.00 -0.50 0.00 0.00 59.36 59.26 3maa h GLU 1044Cb 0.39 0.18 -0.15 0.00 -0.84 0.00 0.00 28.75 28.33 3maa h GLU 1044CO -0.34 -0.52 0.11 1.15 -1.40 0.00 0.00 179.01 178.01 3maa h THR 1045N -0.81 0.25 0.08 1.13 2.02 -1.91 -2.58 112.91 111.10 3maa h THR 1045Ca -0.06 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.09 3maa h THR 1045Cb 0.67 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 3maa h THR 1045CO 0.02 0.02 -0.17 0.77 0.37 0.00 0.00 175.52 176.53 3maa h SER 1046N 0.12 -0.49 -0.26 4.18 4.64 0.30 -1.71 113.55 120.34 3maa h SER 1046Ca 0.52 0.06 0.04 0.00 -0.47 0.00 0.00 61.79 61.94 3maa h SER 1046Cb 1.01 0.19 -0.07 0.00 -0.31 0.00 0.00 62.40 63.21 3maa h SER 1046CO -0.72 -0.25 -0.53 -0.07 -0.87 0.00 0.00 176.83 174.38 3maa h LEU 1047N -0.33 -1.73 -0.77 5.97 3.38 -1.32 0.12 115.31 120.62 3maa h LEU 1047Ca 0.03 0.22 0.15 0.00 0.09 0.00 0.00 57.88 58.37 3maa h LEU 1047Cb 0.36 0.70 -0.10 0.00 0.09 0.00 0.00 40.66 41.70 3maa h LEU 1047CO -0.11 -0.44 0.30 0.40 0.09 0.00 0.00 178.44 178.68 3maa h ILE 1048N -0.49 0.63 -0.19 1.22 2.04 -1.36 0.27 117.51 119.63 3maa h ILE 1048Ca 0.06 -0.15 -0.09 0.00 1.00 0.00 0.00 64.86 65.68 3maa h ILE 1048Cb 0.64 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 3maa h ILE 1048CO -0.51 0.08 -0.27 -0.07 0.00 0.00 0.00 178.15 177.38 3maa h LEU 1049N 0.43 0.37 -1.74 1.44 3.38 -0.58 0.19 115.31 118.80 3maa h LEU 1049Ca 0.43 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.24 3maa h LEU 1049Cb 0.68 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3maa h LEU 1049CO -0.42 0.64 -0.17 1.56 0.09 0.00 0.00 178.44 180.14 3maa h GLN 1050N 0.33 0.00 -1.01 1.13 4.20 0.21 -2.11 115.11 117.86 3maa h GLN 1050Ca 0.05 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.57 3maa h GLN 1050Cb 0.65 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.32 3maa h GLN 1050CO 0.05 0.17 0.24 0.25 -0.67 0.00 0.00 178.83 178.87 3maa n THR 1051N -3.83 1.82 -2.18 -0.54 -2.24 0.65 -3.91 114.28 104.05 3maa n THR 1051Ca -0.02 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 3maa n THR 1051Cb 0.27 -0.81 -0.01 0.00 -2.10 0.00 0.00 70.33 67.68 3maa n THR 1051CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3maa n LEU 1052N -0.10 0.17 -0.77 3.22 4.77 -0.81 -4.98 117.00 118.50 3maa n LEU 1052Ca 0.22 -1.56 -0.07 0.00 -0.03 0.00 0.00 56.01 54.57 3maa n LEU 1052Cb 0.93 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.02 3maa n LEU 1052CO 0.22 0.70 -0.09 0.61 -1.33 0.00 0.00 177.39 177.51 3maa n GLY 1053N 0.18 0.12 3.65 -0.72 0.00 -1.25 -5.05 105.19 102.12 3maa n GLY 1053Ca -0.03 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 3maa n GLY 1053CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3maa s TYR 1054N -2.34 2.97 0.08 1.61 4.12 -1.13 -5.07 117.35 117.59 3maa s TYR 1054Ca 0.00 -0.00 0.07 0.00 0.02 0.00 0.00 57.07 57.16 3maa s TYR 1054Cb 0.00 -1.59 -0.04 0.00 -1.52 0.00 0.00 41.96 38.81 3maa s TYR 1054CO 0.00 0.44 -0.15 0.95 0.02 0.00 0.00 175.55 176.81 3maa s THR 1055N -1.14 3.04 0.06 -0.71 -4.23 -1.26 -4.29 115.64 107.11 3maa s THR 1055Ca 0.21 -1.29 -0.03 0.00 -1.18 0.00 0.00 61.69 59.41 3maa s THR 1055Cb -0.11 -2.37 -0.03 0.00 1.34 0.00 0.00 72.50 71.33 3maa s THR 1055CO 0.12 0.20 0.01 0.00 -0.54 0.00 0.00 174.62 174.41 3maa s THR 1057N -3.88 0.66 -0.33 0.00 2.01 -0.26 -4.94 115.64 108.90 3maa s THR 1057Ca 0.06 -0.35 -0.25 0.00 0.31 0.00 0.00 61.69 61.46 3maa s THR 1057Cb 0.07 -0.55 0.01 0.00 0.01 0.00 0.00 72.50 72.04 3maa s THR 1057CO -0.10 0.19 0.88 0.00 -0.69 0.00 0.00 174.62 174.90 3maa h ARG 1059N 8.22 0.00 0.00 0.00 2.43 -1.76 -3.48 114.38 119.79 3maa h ARG 1059Ca -0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 3maa h ARG 1059Cb 1.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 3maa h ARG 1059CO 0.94 0.24 0.00 0.41 -1.51 0.00 0.00 179.97 180.05 3maa n GLY 1060N -0.11 0.17 3.37 2.80 0.00 -1.25 -4.98 105.19 105.19 3maa n GLY 1060Ca -0.01 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 3maa n GLY 1060CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3maa s ILE 1061N 0.00 2.32 -0.01 -0.61 1.09 -1.26 -1.59 121.20 121.14 3maa s ILE 1061Ca 0.00 -1.21 0.01 0.00 -1.10 0.00 0.00 60.65 58.35 3maa s ILE 1061Cb 0.00 -1.89 -0.00 0.00 -1.06 0.00 0.00 42.46 39.51 3maa s ILE 1061CO 0.00 0.44 -0.04 -0.63 -0.10 0.00 0.00 174.94 174.62 3maa s ILE 1062N -0.76 0.33 0.25 2.92 1.01 -0.93 -4.90 121.20 119.11 3maa s ILE 1062Ca 0.12 -0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.31 3maa s ILE 1062Cb -0.10 -0.29 -0.09 0.00 0.01 0.00 0.00 42.46 41.99 3maa s ILE 1062CO 0.02 0.10 0.92 0.21 0.00 0.00 0.00 174.94 176.19 3maa s ASN 1063N -0.02 7.58 -0.06 3.58 3.84 -1.26 -0.84 114.94 127.75 3maa s ASN 1063Ca 0.01 1.90 0.05 0.00 0.21 0.00 0.00 52.86 55.03 3maa s ASN 1063Cb -0.02 -2.59 -0.01 0.00 -0.55 0.00 0.00 41.25 38.08 3maa s ASN 1063CO -0.00 0.13 -0.23 -0.69 -2.79 0.00 0.00 177.10 173.52 3maa s VAL 1064N -1.24 1.89 0.27 -5.21 1.01 0.16 -4.97 120.40 112.30 3maa s VAL 1064Ca 0.42 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 3maa s VAL 1064Cb -0.25 -1.61 0.25 0.00 0.00 0.00 0.00 36.38 34.77 3maa s VAL 1064CO 0.30 0.53 1.93 0.11 0.00 0.00 0.00 175.10 177.97 3maa h LYS 1065N 6.29 1.21 0.00 2.72 1.57 -1.98 -1.95 116.57 124.43 3maa h LYS 1065Ca -0.29 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3maa h LYS 1065Cb 1.19 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.24 3maa h LYS 1065CO 0.47 0.82 -1.07 0.41 -0.57 0.00 0.00 179.45 179.51 3maa n GLY 1066N -1.34 -1.12 1.54 3.86 0.00 -1.26 -4.55 105.19 102.32 3maa n GLY 1066Ca 0.10 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3maa n GLY 1066CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3maa n LYS 1067N -1.79 1.29 0.00 1.61 3.00 -1.11 -5.12 118.16 116.04 3maa n LYS 1067Ca 0.02 -2.96 0.00 0.00 -0.00 0.00 0.00 58.31 55.37 3maa n LYS 1067Cb 0.41 -1.09 0.00 0.00 0.00 0.00 0.00 35.03 34.34 3maa n LYS 1067CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3maa n GLY 1068N -0.35 3.26 3.17 3.14 0.00 -0.75 -4.60 105.19 109.05 3maa n GLY 1068Ca 0.15 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 3maa n GLY 1068CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3maa s ASP 1069N -4.00 2.24 0.01 1.61 1.11 -1.26 0.36 116.67 116.75 3maa s ASP 1069Ca 0.00 -0.36 -0.19 0.00 0.18 0.00 0.00 52.55 52.18 3maa s ASP 1069Cb 0.00 -0.43 0.04 0.00 1.07 0.00 0.00 42.92 43.60 3maa s ASP 1069CO 0.00 0.20 0.43 -1.48 1.18 0.00 0.00 175.17 175.50 3maa s LEU 1070N -0.22 0.34 0.35 1.23 0.05 -0.02 -4.87 118.68 115.54 3maa s LEU 1070Ca 0.02 0.14 -0.28 0.00 0.05 0.00 0.00 54.13 54.06 3maa s LEU 1070Cb -0.09 1.75 -0.11 0.00 -2.05 0.00 0.00 46.19 45.69 3maa s LEU 1070CO 0.01 -0.60 1.46 -0.54 -0.55 0.00 0.00 176.35 176.13 3maa s LYS 1071N -1.96 4.16 0.25 1.48 1.02 -1.25 -2.18 119.74 121.26 3maa s LYS 1071Ca -0.08 2.49 0.02 0.00 0.02 0.00 0.00 55.97 58.42 3maa s LYS 1071Cb -0.02 -3.00 -0.05 0.00 -0.52 0.00 0.00 37.83 34.24 3maa s LYS 1071CO 0.01 -0.48 0.07 0.95 -0.92 0.00 0.00 175.35 174.99 3maa s THR 1072N -0.94 0.72 0.03 2.17 -4.23 -0.62 -3.35 115.64 109.42 3maa s THR 1072Ca 0.54 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.98 3maa s THR 1072Cb -0.45 -2.56 -0.01 0.00 1.34 0.00 0.00 72.50 70.82 3maa s THR 1072CO 0.59 -0.10 0.12 -0.31 -0.54 0.00 0.00 174.62 174.38 3maa s TYR 1073N -3.64 0.15 -0.03 3.99 1.51 0.18 -2.09 117.35 117.42 3maa s TYR 1073Ca 0.35 -0.41 0.01 0.00 -1.01 0.00 0.00 57.07 56.00 3maa s TYR 1073Cb 0.07 -0.11 -0.03 0.00 -0.11 0.00 0.00 41.96 41.78 3maa s TYR 1073CO 0.12 -0.37 -0.02 -0.06 -1.11 0.00 0.00 175.55 174.11 3maa s PHE 1074N -2.45 3.04 0.57 2.71 0.08 0.81 0.13 117.98 122.87 3maa s PHE 1074Ca -0.06 0.08 -0.15 0.00 0.12 0.00 0.00 56.93 56.92 3maa s PHE 1074Cb -0.02 -1.70 -0.05 0.00 -0.57 0.00 0.00 43.02 40.68 3maa s PHE 1074CO -0.04 0.43 1.02 0.08 -0.10 0.00 0.00 175.22 176.61 3maa s VAL 1075N -0.98 4.32 -0.13 -0.44 1.01 -0.51 -1.10 120.40 122.59 3maa s VAL 1075Ca 0.16 1.01 -0.06 0.00 0.00 0.00 0.00 61.98 63.10 3maa s VAL 1075Cb -0.11 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 3maa s VAL 1075CO 0.06 -0.74 0.08 0.20 0.00 0.00 0.00 175.10 174.71 3maa s ASN 1076N -3.26 5.89 0.00 3.32 0.01 -0.71 -4.63 114.94 115.56 3maa s ASN 1076Ca 0.59 0.28 0.09 0.00 -0.71 0.00 0.00 52.86 53.12 3maa s ASN 1076Cb -0.12 -1.88 0.56 0.00 0.41 0.00 0.00 41.25 40.22 3maa s ASN 1076CO 0.39 0.34 1.00 0.41 -1.51 0.00 0.00 177.10 177.73