#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pso s LEU 910 N 0.00 4.45 0.08 2.98 1.43 -1.26 -5.05 118.68 121.32 2pso s LEU 910 Ca 0.00 -0.20 -0.31 0.00 -1.03 0.00 0.00 54.13 52.59 2pso s LEU 910 Cb 0.00 -2.66 -0.08 0.00 0.03 0.00 0.00 46.19 43.48 2pso s LEU 910 CO 0.00 -0.64 1.51 0.20 0.23 0.00 0.00 176.35 177.65 2pso s ASN 911 N 1.87 6.72 -0.68 2.29 -0.87 -1.26 -4.99 114.94 118.03 2pso s ASN 911 Ca 0.21 2.37 0.05 0.00 -1.57 0.00 0.00 52.86 53.92 2pso s ASN 911 Cb -0.15 -2.57 0.24 0.00 -0.02 0.00 0.00 41.25 38.74 2pso s ASN 911 CO 0.16 -0.77 0.74 1.41 -2.57 0.00 0.00 177.10 176.07 2pso n HIS 912 N 4.84 3.54 0.50 2.20 8.25 -1.26 -4.73 115.22 128.56 2pso n HIS 912 Ca 0.14 -4.11 0.12 0.00 -0.26 0.00 0.00 57.72 53.61 2pso n HIS 912 Cb 0.41 -0.62 0.20 0.00 1.12 0.00 0.00 29.99 31.10 2pso n HIS 912 CO 0.00 0.00 0.00 1.37 0.64 0.00 0.00 176.34 178.35 2pso h LEU 913 N 4.51 0.00 -0.68 2.41 -0.00 -2.01 -3.34 115.31 116.20 2pso h LEU 913 Ca 0.19 -0.13 0.14 0.00 -0.00 0.00 0.00 57.88 58.08 2pso h LEU 913 Cb 0.68 0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 41.24 2pso h LEU 913 CO 0.84 0.06 0.12 0.40 -0.00 0.00 0.00 178.44 179.87 2pso h ILE 914 N 0.00 0.53 -0.25 0.15 2.04 -2.00 0.27 117.51 118.25 2pso h ILE 914 Ca 0.00 -0.08 0.07 0.00 1.00 0.00 0.00 64.86 65.85 2pso h ILE 914 Cb 0.79 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2pso h ILE 914 CO 0.00 0.04 0.18 -0.61 0.00 0.00 0.00 178.15 177.76 2pso h GLN 915 N 0.23 0.01 0.13 2.37 5.75 -1.97 -1.83 115.11 119.78 2pso h GLN 915 Ca 0.37 -0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.61 2pso h GLN 915 Cb 0.61 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.16 2pso h GLN 915 CO -0.49 0.00 -1.26 0.78 -2.65 0.00 0.00 178.83 175.21 2pso h GLY 916 N 0.01 0.31 0.16 2.39 0.00 -0.80 -3.14 103.07 101.99 2pso h GLY 916 Ca 0.12 -0.79 0.12 0.00 0.00 0.00 0.00 47.33 46.79 2pso h GLY 916 CO -0.00 0.69 0.19 1.41 0.00 0.00 0.00 176.54 178.83 2pso h LEU 917 N -0.31 0.10 0.39 3.11 3.38 -0.68 -0.41 115.31 120.89 2pso h LEU 917 Ca -0.26 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2pso h LEU 917 Cb 1.74 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.60 2pso h LEU 917 CO 0.09 0.04 -0.43 1.56 0.09 0.00 0.00 178.44 179.79 2pso h GLN 918 N 0.33 -0.81 -0.10 1.13 4.20 -1.44 -1.59 115.11 116.83 2pso h GLN 918 Ca 0.35 0.06 -0.04 0.00 0.06 0.00 0.00 58.65 59.08 2pso h GLN 918 Cb 0.53 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 2pso h GLN 918 CO -0.41 -0.54 -0.12 0.87 -0.67 0.00 0.00 178.83 177.96 2pso h LYS 919 N -0.84 0.14 -0.29 1.46 1.57 -1.45 0.24 116.57 117.40 2pso h LYS 919 Ca -0.03 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2pso h LYS 919 Cb 0.76 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 2pso h LYS 919 CO -0.09 0.27 0.17 1.49 -0.57 0.00 0.00 179.45 180.73 2pso h GLU 920 N 0.14 0.35 -0.33 3.15 4.81 -0.87 -0.97 114.58 120.86 2pso h GLU 920 Ca 0.03 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 2pso h GLU 920 Cb 0.30 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2pso h GLU 920 CO 0.02 0.23 -0.21 0.00 -0.73 0.00 0.00 179.01 178.31 2pso h ALA 921 N 1.12 0.47 -0.06 2.92 0.00 -0.38 -2.84 119.26 120.48 2pso h ALA 921 Ca 0.11 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.67 2pso h ALA 921 Cb -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2pso h ALA 921 CO -0.04 0.43 -0.08 0.87 0.00 0.00 0.00 179.25 180.43 2pso h LYS 922 N 0.49 -0.10 -0.78 0.00 1.57 -0.49 -2.99 116.57 114.27 2pso h LYS 922 Ca 0.07 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 2pso h LYS 922 Cb 0.76 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.05 2pso h LYS 922 CO 0.06 -0.07 0.50 0.93 -0.57 0.00 0.00 179.45 180.30 2pso h GLU 923 N -0.11 0.95 -2.41 3.15 4.39 -1.25 -3.05 114.58 116.26 2pso h GLU 923 Ca 0.05 -0.06 -0.21 0.00 0.34 0.00 0.00 59.36 59.49 2pso h GLU 923 Cb 0.18 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 28.57 2pso h GLU 923 CO -0.13 0.63 0.40 1.17 -1.16 0.00 0.00 179.01 179.92 2pso n LYS 924 N -4.60 1.75 0.00 2.33 4.81 -1.07 -4.61 118.16 116.77 2pso n LYS 924 Ca 0.09 -0.94 0.00 0.00 -0.87 0.00 0.00 58.31 56.59 2pso n LYS 924 Cb 0.08 -2.01 0.00 0.00 0.02 0.00 0.00 35.03 33.12 2pso n LYS 924 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2pso n PHE 925 N 2.84 0.00 -1.37 5.64 7.35 -1.15 -4.94 117.46 125.83 2pso n PHE 925 Ca 0.38 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 57.06 2pso n PHE 925 Cb 0.61 0.00 0.21 0.00 0.35 0.00 0.00 39.48 40.65 2pso n PHE 925 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2pso n LYS 926 N 0.00 1.98 -0.46 -4.13 5.02 -1.26 -4.90 118.16 114.40 2pso n LYS 926 Ca 0.00 -3.11 0.00 0.00 -2.02 0.00 0.00 58.31 53.18 2pso n LYS 926 Cb 0.00 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.22 2pso n LYS 926 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pso n GLY 927 N -1.04 1.64 3.69 0.72 0.00 -1.26 -4.88 105.19 104.06 2pso n GLY 927 Ca 0.30 -2.04 -0.40 0.00 0.00 0.00 0.00 46.02 43.87 2pso n GLY 927 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2pso s TRP 928 N 1.29 3.47 -0.07 1.61 0.52 -1.26 -4.64 118.94 119.86 2pso s TRP 928 Ca 0.00 1.14 -0.20 0.00 0.02 0.00 0.00 56.10 57.07 2pso s TRP 928 Cb 0.00 -2.85 -0.04 0.00 -1.15 0.00 0.00 33.47 29.43 2pso s TRP 928 CO 0.00 -0.07 0.55 0.08 0.02 0.00 0.00 176.95 177.53 2pso s VAL 929 N 1.47 5.08 0.44 4.03 1.01 -0.40 -4.91 120.40 127.12 2pso s VAL 929 Ca 0.35 1.13 -0.03 0.00 0.00 0.00 0.00 61.98 63.42 2pso s VAL 929 Cb -0.17 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 2pso s VAL 929 CO 0.14 0.34 0.71 0.42 0.00 0.00 0.00 175.10 176.71 2pso s THR 930 N 0.38 4.90 0.12 3.92 -4.23 -1.26 -0.92 115.64 118.55 2pso s THR 930 Ca 0.30 -0.05 0.08 0.00 -1.18 0.00 0.00 61.69 60.83 2pso s THR 930 Cb -0.17 -3.84 -0.04 0.00 1.34 0.00 0.00 72.50 69.80 2pso s THR 930 CO 0.14 -0.72 -0.19 0.00 -0.54 0.00 0.00 174.62 173.30 2pso s SER 932 N -2.16 6.44 -0.29 0.00 0.15 -1.26 -4.31 113.70 112.27 2pso s SER 932 Ca 0.09 2.49 -0.15 0.00 0.70 0.00 0.00 55.95 59.07 2pso s SER 932 Cb -0.08 -2.63 0.10 0.00 -1.71 0.00 0.00 66.02 61.70 2pso s SER 932 CO 0.05 -0.74 0.73 -0.55 1.20 0.00 0.00 173.24 173.93 2pso s SER 933 N -0.95 -0.91 0.97 5.45 0.15 -1.26 -4.94 113.70 112.22 2pso s SER 933 Ca 0.57 1.41 -0.15 0.00 0.70 0.00 0.00 55.95 58.47 2pso s SER 933 Cb -0.34 1.51 0.19 0.00 -1.71 0.00 0.00 66.02 65.67 2pso s SER 933 CO 0.43 -0.22 1.24 0.42 1.20 0.00 0.00 173.24 176.31 2pso s THR 934 N 1.82 1.93 -1.25 6.45 -4.23 -1.26 -4.38 115.64 114.71 2pso s THR 934 Ca -0.09 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.40 2pso s THR 934 Cb -0.06 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.90 2pso s THR 934 CO -0.19 0.00 0.23 -0.67 -0.54 0.00 0.00 174.62 173.45 2pso n ASP 935 N -3.86 -4.85 -3.55 3.99 2.03 -1.26 -3.62 116.55 105.43 2pso n ASP 935 Ca 0.12 -0.12 -0.19 0.00 0.52 0.00 0.00 54.79 55.12 2pso n ASP 935 Cb 0.60 -3.84 0.07 0.00 -0.72 0.00 0.00 41.12 37.23 2pso n ASP 935 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2pso n ASN 936 N -1.22 -2.22 -4.29 1.67 5.15 -1.26 -4.97 115.26 108.11 2pso n ASN 936 Ca -0.13 -0.68 -0.23 0.00 -0.60 0.00 0.00 54.58 52.93 2pso n ASN 936 Cb 0.62 -4.72 -0.12 0.00 -0.53 0.00 0.00 39.78 35.02 2pso n ASN 936 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2pso s THR 937 N -3.46 1.71 -0.20 -0.44 -4.23 -1.24 -4.76 115.64 103.03 2pso s THR 937 Ca 0.08 -1.67 -0.11 0.00 -1.18 0.00 0.00 61.69 58.80 2pso s THR 937 Cb -0.03 -1.63 -0.05 0.00 1.34 0.00 0.00 72.50 72.12 2pso s THR 937 CO 0.76 -0.17 0.19 -1.81 -0.54 0.00 0.00 174.62 173.05 2pso s ASP 938 N -2.18 6.25 -0.05 3.99 1.01 -0.49 -4.70 116.67 120.50 2pso s ASP 938 Ca 0.09 0.27 0.05 0.00 0.71 0.00 0.00 52.55 53.68 2pso s ASP 938 Cb -0.08 -2.12 -0.02 0.00 1.01 0.00 0.00 42.92 41.70 2pso s ASP 938 CO 0.05 0.11 -0.20 -0.22 0.21 0.00 0.00 175.17 175.12 2pso s LEU 939 N 0.65 2.39 0.06 1.23 2.96 -1.26 -1.37 118.68 123.34 2pso s LEU 939 Ca 0.10 -0.35 -0.13 0.00 -0.22 0.00 0.00 54.13 53.53 2pso s LEU 939 Cb -0.12 -1.46 0.02 0.00 0.50 0.00 0.00 46.19 45.13 2pso s LEU 939 CO 0.02 0.30 0.30 0.00 -1.32 0.00 0.00 176.35 175.65 2pso s ALA 940 N -0.50 -0.65 0.28 5.97 0.00 -0.29 -1.05 121.76 125.52 2pso s ALA 940 Ca 0.06 -0.07 0.05 0.00 0.00 0.00 0.00 51.96 52.01 2pso s ALA 940 Cb -0.11 0.37 -0.06 0.00 0.00 0.00 0.00 23.12 23.32 2pso s ALA 940 CO 0.01 -0.44 -0.01 -0.59 0.00 0.00 0.00 175.76 174.72 2pso s PHE 941 N -2.81 1.85 -0.08 0.00 -0.12 -0.10 -0.85 117.98 115.87 2pso s PHE 941 Ca -0.03 -0.83 -0.07 0.00 -0.05 0.00 0.00 56.93 55.95 2pso s PHE 941 Cb 0.00 -1.11 0.02 0.00 -0.63 0.00 0.00 43.02 41.30 2pso s PHE 941 CO -0.05 0.12 0.20 0.21 -0.05 0.00 0.00 175.22 175.66 2pso s LYS 942 N -3.81 0.23 -0.06 1.99 2.20 -0.53 -1.28 119.74 118.48 2pso s LYS 942 Ca 0.31 0.29 -0.23 0.00 -0.36 0.00 0.00 55.97 55.98 2pso s LYS 942 Cb 0.06 0.10 -0.04 0.00 -1.51 0.00 0.00 37.83 36.44 2pso s LYS 942 CO 0.12 -0.04 0.67 -1.59 -0.36 0.00 0.00 175.35 174.16 2pso s LYS 943 N 0.18 4.42 -0.20 4.03 0.00 -1.26 -1.71 119.74 125.21 2pso s LYS 943 Ca -0.01 0.84 -0.19 0.00 0.00 0.00 0.00 55.97 56.61 2pso s LYS 943 Cb -0.02 -3.44 -0.03 0.00 0.00 0.00 0.00 37.83 34.34 2pso s LYS 943 CO -0.00 0.10 0.53 0.08 0.00 0.00 0.00 175.35 176.06 2pso s VAL 944 N 0.69 5.10 -0.89 1.79 1.01 -1.26 -4.98 120.40 121.86 2pso s VAL 944 Ca 0.36 0.98 -0.25 0.00 0.00 0.00 0.00 61.98 63.07 2pso s VAL 944 Cb -0.18 -3.85 -0.08 0.00 0.00 0.00 0.00 36.38 32.27 2pso s VAL 944 CO 0.17 0.17 2.10 -0.83 0.00 0.00 0.00 175.10 176.72 2pso s GLY 945 N 1.15 -0.18 0.00 4.51 0.00 -1.26 -4.43 107.32 107.10 2pso s GLY 945 Ca 0.25 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.65 2pso s GLY 945 CO 0.10 3.75 0.00 1.34 0.00 0.00 0.00 173.10 178.29 2pso n ASP 946 N 15.67 1.94 0.00 1.64 2.03 -1.26 -4.99 116.55 131.58 2pso n ASP 946 Ca 0.43 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.74 2pso n ASP 946 Cb 0.46 0.20 0.00 0.00 -0.72 0.00 0.00 41.12 41.06 2pso n ASP 946 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pso n GLY 947 N 1.44 3.02 3.65 0.27 0.00 -1.26 -5.03 105.19 107.28 2pso n GLY 947 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2pso n GLY 947 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2pso s ASN 948 N 0.86 6.32 0.30 1.61 3.84 -1.26 -4.96 114.94 121.65 2pso s ASN 948 Ca 0.00 0.37 0.23 0.00 0.21 0.00 0.00 52.86 53.67 2pso s ASN 948 Cb 0.00 -2.20 1.10 0.00 -0.55 0.00 0.00 41.25 39.60 2pso s ASN 948 CO 0.00 -0.09 1.69 -2.65 -2.79 0.00 0.00 177.10 173.26 2pso n PRO 949 N 4.71 0.17 -2.08 0.43 -0.02 -1.26 -4.78 135.00 132.17 2pso n PRO 949 Ca -0.09 0.55 -0.39 0.00 -2.02 0.00 0.00 63.50 61.55 2pso n PRO 949 Cb 0.51 -1.93 -0.00 0.00 -0.02 0.00 0.00 33.50 32.06 2pso n PRO 949 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2pso s LEU 950 N -4.52 4.14 0.30 2.45 1.43 -1.26 -5.00 118.68 116.22 2pso s LEU 950 Ca 0.00 2.58 -0.09 0.00 -1.03 0.00 0.00 54.13 55.59 2pso s LEU 950 Cb 0.08 -4.01 -0.06 0.00 0.03 0.00 0.00 46.19 42.22 2pso s LEU 950 CO 0.28 -0.92 0.62 -0.54 0.23 0.00 0.00 176.35 176.02 2pso s LYS 951 N -2.39 3.76 -0.15 1.70 1.02 -1.26 -4.54 119.74 117.88 2pso s LYS 951 Ca 0.60 0.26 -0.18 0.00 0.02 0.00 0.00 55.97 56.67 2pso s LYS 951 Cb -0.36 -2.57 -0.04 0.00 -0.52 0.00 0.00 37.83 34.34 2pso s LYS 951 CO 0.45 0.18 0.46 -1.17 -0.92 0.00 0.00 175.35 174.36 2pso s LEU 952 N -3.33 4.23 -0.08 3.17 2.96 -0.69 -4.65 118.68 120.29 2pso s LEU 952 Ca 0.48 0.73 0.00 0.00 -0.22 0.00 0.00 54.13 55.12 2pso s LEU 952 Cb -0.11 -2.65 -0.03 0.00 0.50 0.00 0.00 46.19 43.90 2pso s LEU 952 CO 0.26 -0.04 -0.08 0.26 -1.32 0.00 0.00 176.35 175.44 2pso s TRP 953 N 0.89 2.92 -0.15 5.38 0.52 0.29 -1.45 118.94 127.34 2pso s TRP 953 Ca 0.24 -0.08 -0.00 0.00 0.02 0.00 0.00 56.10 56.27 2pso s TRP 953 Cb -0.15 -1.75 -0.01 0.00 -1.15 0.00 0.00 33.47 30.42 2pso s TRP 953 CO 0.09 0.23 -0.13 0.21 0.02 0.00 0.00 176.95 177.37 2pso s LYS 954 N -0.56 3.32 -0.04 4.98 2.20 -0.03 -0.59 119.74 129.01 2pso s LYS 954 Ca 0.08 -0.70 0.02 0.00 -0.36 0.00 0.00 55.97 55.01 2pso s LYS 954 Cb -0.12 -2.67 0.02 0.00 -1.51 0.00 0.00 37.83 33.55 2pso s LYS 954 CO 0.02 0.10 -0.07 0.00 -0.36 0.00 0.00 175.35 175.04 2pso s ALA 955 N 0.62 0.82 0.15 3.13 0.00 -0.51 -1.13 121.76 124.84 2pso s ALA 955 Ca -0.07 -0.17 0.11 0.00 0.00 0.00 0.00 51.96 51.82 2pso s ALA 955 Cb -0.16 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 2pso s ALA 955 CO 0.03 0.05 -0.24 -1.12 0.00 0.00 0.00 175.76 174.47 2pso s SER 956 N 0.72 3.48 0.16 0.00 0.01 -0.47 -1.12 113.70 116.48 2pso s SER 956 Ca -0.11 -0.74 -0.07 0.00 1.31 0.00 0.00 55.95 56.33 2pso s SER 956 Cb -0.14 -0.30 -0.01 0.00 0.21 0.00 0.00 66.02 65.77 2pso s SER 956 CO 0.01 0.16 0.24 0.68 0.41 0.00 0.00 173.24 174.74 2pso s VAL 957 N -1.26 0.07 0.06 3.43 -7.23 -0.77 -1.40 120.40 113.31 2pso s VAL 957 Ca 0.17 -1.49 -0.12 0.00 -1.81 0.00 0.00 61.98 58.73 2pso s VAL 957 Cb -0.10 -1.88 -0.06 0.00 0.56 0.00 0.00 36.38 34.90 2pso s VAL 957 CO 0.08 -0.33 0.42 -1.83 -0.31 0.00 0.00 175.10 173.13 2pso s GLU 958 N -3.98 3.84 -0.05 4.82 1.03 -1.26 -0.54 118.70 122.56 2pso s GLU 958 Ca 0.19 0.29 -0.01 0.00 0.03 0.00 0.00 54.97 55.46 2pso s GLU 958 Cb 0.04 -3.06 0.03 0.00 -0.80 0.00 0.00 34.13 30.34 2pso s GLU 958 CO 0.00 0.59 0.03 0.54 -1.33 0.00 0.00 175.26 175.09 2pso s VAL 959 N -1.31 0.13 -1.03 1.83 0.11 0.10 -4.89 120.40 115.35 2pso s VAL 959 Ca 0.31 0.24 -0.09 0.00 -2.93 0.00 0.00 61.98 59.50 2pso s VAL 959 Cb -0.15 -0.32 -0.07 0.00 -1.53 0.00 0.00 36.38 34.31 2pso s VAL 959 CO 0.17 0.20 2.21 -1.84 -3.33 0.00 0.00 175.10 172.51 2pso n GLU 960 N 4.99 2.27 -3.46 1.54 0.00 -1.26 -3.14 120.64 121.58 2pso n GLU 960 Ca -0.10 -1.69 -0.14 0.00 0.00 0.00 0.00 57.16 55.23 2pso n GLU 960 Cb 0.50 -2.63 -0.03 0.00 0.00 0.00 0.00 31.44 29.28 2pso n GLU 960 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2pso s ALA 961 N 3.48 -1.66 0.43 -1.84 0.00 -1.26 -5.04 121.76 115.86 2pso s ALA 961 Ca 0.47 0.80 -0.25 0.00 0.00 0.00 0.00 51.96 52.98 2pso s ALA 961 Cb 0.12 0.55 -0.08 0.00 0.00 0.00 0.00 23.12 23.72 2pso s ALA 961 CO -0.02 -0.62 1.30 -2.14 0.00 0.00 0.00 175.76 174.28 2pso s PRO 962 N -2.79 3.84 0.21 0.00 0.02 -1.26 -3.40 135.00 131.61 2pso s PRO 962 Ca -0.03 2.13 -0.18 0.00 0.02 0.00 0.00 61.00 62.93 2pso s PRO 962 Cb -0.01 -2.65 0.19 0.00 0.02 0.00 0.00 34.50 32.05 2pso s PRO 962 CO -0.04 -0.59 1.58 -1.35 -0.33 0.00 0.00 177.00 176.26 2pso h PRO 963 N 2.45 -0.08 -0.77 5.54 0.11 -1.92 -0.68 132.00 136.65 2pso h PRO 963 Ca -0.50 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 2pso h PRO 963 Cb 1.25 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.35 2pso h PRO 963 CO 0.62 -0.06 0.40 0.66 -0.21 0.00 0.00 178.00 179.41 2pso h SER 964 N -0.09 0.98 -0.33 -2.05 4.64 -1.95 0.51 113.55 115.26 2pso h SER 964 Ca 0.29 -0.11 -0.10 0.00 -0.47 0.00 0.00 61.79 61.40 2pso h SER 964 Cb 0.57 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 2pso h SER 964 CO -0.80 0.81 -0.13 0.58 -0.87 0.00 0.00 176.83 176.41 2pso h VAL 965 N 1.07 1.26 -0.19 0.95 2.07 -1.87 -0.72 116.25 118.83 2pso h VAL 965 Ca 0.27 -1.20 -0.03 0.00 0.82 0.00 0.00 66.70 66.56 2pso h VAL 965 Cb 0.06 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2pso h VAL 965 CO -0.04 0.41 -0.00 0.58 0.02 0.00 0.00 177.57 178.53 2pso h VAL 966 N 0.70 1.26 -0.59 2.57 2.07 -0.55 -1.40 116.25 120.30 2pso h VAL 966 Ca 0.11 -0.88 0.05 0.00 0.82 0.00 0.00 66.70 66.80 2pso h VAL 966 Cb 0.62 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 2pso h VAL 966 CO 0.04 0.27 0.39 0.25 0.02 0.00 0.00 177.57 178.54 2pso h LEU 967 N 0.09 0.54 -0.68 2.57 7.12 0.15 -1.08 115.31 124.02 2pso h LEU 967 Ca 0.05 -0.00 -0.14 0.00 0.13 0.00 0.00 57.88 57.92 2pso h LEU 967 Cb 0.40 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.40 2pso h LEU 967 CO 0.01 0.37 -0.47 -1.13 -0.13 0.00 0.00 178.44 177.09 2pso h ASN 968 N 0.63 0.49 1.23 1.25 -1.24 -0.95 -3.03 115.58 113.97 2pso h ASN 968 Ca 0.24 -0.23 0.00 0.00 0.71 0.00 0.00 56.30 57.02 2pso h ASN 968 Cb 0.18 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.09 2pso h ASN 968 CO -0.07 0.89 0.00 0.03 -1.29 0.00 0.00 177.43 176.99 2pso h ARG 969 N 0.37 0.00 0.00 6.67 -0.00 -0.06 -2.48 114.38 118.88 2pso h ARG 969 Ca 0.02 0.00 -0.30 0.00 -0.50 0.00 0.00 59.98 59.20 2pso h ARG 969 Cb 0.96 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 30.88 2pso h ARG 969 CO 0.08 0.00 -1.85 0.28 0.00 0.00 0.00 179.97 178.49 2pso n VAL 970 N -2.85 1.51 0.10 2.04 0.31 -1.05 -3.76 118.33 114.63 2pso n VAL 970 Ca 0.02 -0.80 -0.06 0.00 -0.01 0.00 0.00 64.34 63.49 2pso n VAL 970 Cb 0.35 -0.87 -0.03 0.00 -0.91 0.00 0.00 33.84 32.38 2pso n VAL 970 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2pso h LEU 971 N 0.00 -0.29 0.00 7.52 3.38 -1.40 -3.42 115.31 121.11 2pso h LEU 971 Ca -0.33 -0.05 -0.21 0.00 0.09 0.00 0.00 57.88 57.38 2pso h LEU 971 Cb 2.03 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 42.81 2pso h LEU 971 CO 0.06 0.19 -1.78 0.54 0.09 0.00 0.00 178.44 177.54 2pso n ARG 972 N -5.00 0.64 -1.23 1.13 5.12 -0.95 -4.56 116.66 111.81 2pso n ARG 972 Ca -0.05 0.07 -0.20 0.00 -1.93 0.00 0.00 57.85 55.74 2pso n ARG 972 Cb 0.17 -1.28 -0.09 0.00 -1.16 0.00 0.00 32.46 30.10 2pso n ARG 972 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2pso n GLU 973 N -2.83 2.16 0.02 5.56 1.02 -1.21 -4.39 120.64 120.97 2pso n GLU 973 Ca -0.23 -1.70 0.13 0.00 -0.02 0.00 0.00 57.16 55.34 2pso n GLU 973 Cb 0.78 -2.01 0.38 0.00 -0.02 0.00 0.00 31.44 30.56 2pso n GLU 973 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2pso n ARG 974 N 1.48 0.09 -0.09 3.49 5.12 -1.25 -2.77 116.66 122.74 2pso n ARG 974 Ca 0.44 0.04 0.06 0.00 -1.93 0.00 0.00 57.85 56.46 2pso n ARG 974 Cb 0.69 -1.57 0.24 0.00 -1.16 0.00 0.00 32.46 30.66 2pso n ARG 974 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 2pso n HIS 975 N -1.71 0.22 -0.02 -1.55 1.44 -1.26 -2.63 115.22 109.71 2pso n HIS 975 Ca 0.06 -0.11 -0.11 0.00 -2.01 0.00 0.00 57.72 55.54 2pso n HIS 975 Cb 0.37 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.34 2pso n HIS 975 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2pso n LEU 976 N 0.03 1.19 0.00 2.39 4.32 -1.11 -4.61 117.00 119.21 2pso n LEU 976 Ca 0.11 0.36 0.00 0.00 -0.02 0.00 0.00 56.01 56.46 2pso n LEU 976 Cb 0.20 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 41.93 2pso n LEU 976 CO 0.08 0.48 0.15 -2.67 -1.22 0.00 0.00 177.39 174.21 2pso n TRP 977 N -3.12 0.00 -4.55 -1.77 4.27 -1.24 -4.81 117.44 106.23 2pso n TRP 977 Ca -0.20 0.00 -0.28 0.00 -3.89 0.00 0.00 57.50 53.13 2pso n TRP 977 Cb 1.05 0.00 -0.17 0.00 -1.36 0.00 0.00 31.31 30.84 2pso n TRP 977 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 2pso s ASP 978 N -0.16 2.29 0.12 -0.67 -1.08 -1.08 -4.77 116.67 111.32 2pso s ASP 978 Ca 0.00 -0.40 0.23 0.00 -0.52 0.00 0.00 52.55 51.87 2pso s ASP 978 Cb 0.00 -1.03 0.13 0.00 -1.46 0.00 0.00 42.92 40.56 2pso s ASP 978 CO 0.00 0.03 1.12 1.21 0.52 0.00 0.00 175.17 178.05 2pso n GLU 979 N 4.05 0.39 -0.16 4.34 2.13 -1.26 -4.01 120.64 126.12 2pso n GLU 979 Ca -0.20 0.06 0.09 0.00 0.66 0.00 0.00 57.16 57.77 2pso n GLU 979 Cb 0.51 -1.69 0.17 0.00 0.27 0.00 0.00 31.44 30.71 2pso n GLU 979 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2pso n ASP 980 N -2.23 3.07 -4.37 4.31 8.00 -1.26 -4.81 116.55 119.25 2pso n ASP 980 Ca 0.02 -1.89 -0.32 0.00 0.71 0.00 0.00 54.79 53.30 2pso n ASP 980 Cb 0.47 -0.21 -0.06 0.00 -0.02 0.00 0.00 41.12 41.30 2pso n ASP 980 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2pso n PHE 981 N 1.08 2.62 -0.01 1.24 7.35 -1.26 -3.29 117.46 125.18 2pso n PHE 981 Ca 0.15 -1.59 -0.00 0.00 -0.76 0.00 0.00 57.45 55.25 2pso n PHE 981 Cb 0.50 -2.43 -0.00 0.00 0.35 0.00 0.00 39.48 37.90 2pso n PHE 981 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2pso h VAL 982 N 5.77 0.00 -3.49 -2.13 2.07 -1.63 -3.44 116.25 113.40 2pso h VAL 982 Ca 0.27 -0.25 -0.74 0.00 0.82 0.00 0.00 66.70 66.80 2pso h VAL 982 Cb 0.88 0.00 -0.32 0.00 -1.52 0.00 0.00 31.29 30.32 2pso h VAL 982 CO 1.39 0.00 0.02 -1.10 0.02 0.00 0.00 177.57 177.90 2pso s GLN 983 N -1.21 3.42 0.04 1.57 -0.21 -1.26 -4.92 119.66 117.09 2pso s GLN 983 Ca -0.02 -3.02 -0.08 0.00 0.02 0.00 0.00 55.36 52.26 2pso s GLN 983 Cb 0.00 -4.13 -0.05 0.00 1.00 0.00 0.00 33.01 29.83 2pso s GLN 983 CO 0.02 -1.25 0.33 1.67 -2.12 0.00 0.00 175.29 173.94 2pso s TRP 984 N -0.89 3.59 -0.30 0.91 -2.14 -1.26 -3.80 118.94 115.05 2pso s TRP 984 Ca 0.25 0.67 -0.05 0.00 2.66 0.00 0.00 56.10 59.64 2pso s TRP 984 Cb -0.11 -2.07 0.18 0.00 -3.10 0.00 0.00 33.47 28.38 2pso s TRP 984 CO -0.09 0.58 0.72 0.15 -2.66 0.00 0.00 176.95 175.64 2pso s LYS 985 N -1.79 0.47 0.00 3.25 -0.14 -0.95 -5.02 119.74 115.56 2pso s LYS 985 Ca 0.30 0.86 -0.30 0.00 -1.36 0.00 0.00 55.97 55.47 2pso s LYS 985 Cb -0.14 0.48 -0.09 0.00 -1.68 0.00 0.00 37.83 36.41 2pso s LYS 985 CO 0.17 -0.49 2.01 0.28 -0.76 0.00 0.00 175.35 176.55 2pso n VAL 986 N 5.43 0.72 -0.07 3.17 0.31 -1.26 -3.26 118.33 123.37 2pso n VAL 986 Ca -0.03 -0.18 -0.04 0.00 -0.01 0.00 0.00 64.34 64.08 2pso n VAL 986 Cb 0.52 -2.34 -0.16 0.00 -0.91 0.00 0.00 33.84 30.94 2pso n VAL 986 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2pso n VAL 987 N 5.82 1.01 -3.64 2.52 0.31 -0.34 -4.94 118.33 119.07 2pso n VAL 987 Ca 0.21 -0.76 -0.08 0.00 -0.01 0.00 0.00 64.34 63.71 2pso n VAL 987 Cb 0.41 -0.35 -0.07 0.00 -0.91 0.00 0.00 33.84 32.92 2pso n VAL 987 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2pso s GLU 988 N -2.78 0.67 -0.42 5.55 2.12 -1.16 -5.01 118.70 117.67 2pso s GLU 988 Ca -0.09 1.07 -0.16 0.00 0.36 0.00 0.00 54.97 56.15 2pso s GLU 988 Cb 0.08 0.18 0.03 0.00 0.26 0.00 0.00 34.13 34.68 2pso s GLU 988 CO 0.85 -0.13 0.39 0.99 -0.54 0.00 0.00 175.26 176.82 2pso s THR 989 N 1.30 5.16 0.10 -1.70 2.01 -1.26 -1.02 115.64 120.22 2pso s THR 989 Ca -0.07 -0.54 -0.06 0.00 0.31 0.00 0.00 61.69 61.32 2pso s THR 989 Cb -0.05 -4.01 -0.24 0.00 0.01 0.00 0.00 72.50 68.21 2pso s THR 989 CO -0.15 -0.41 1.21 -0.07 -0.69 0.00 0.00 174.62 174.51 2pso h LEU 990 N 8.88 0.54 0.00 4.42 3.38 -1.82 -3.49 115.31 127.23 2pso h LEU 990 Ca -0.27 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.20 2pso h LEU 990 Cb 1.11 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2pso h LEU 990 CO 0.78 1.33 0.00 -0.90 0.09 0.00 0.00 178.44 179.75 2pso n ASP 991 N -3.67 0.00 0.05 -0.43 5.68 -0.81 -4.98 116.55 112.40 2pso n ASP 991 Ca -0.08 -0.63 0.02 0.00 -0.50 0.00 0.00 54.79 53.60 2pso n ASP 991 Cb 0.93 0.00 0.37 0.00 -1.14 0.00 0.00 41.12 41.28 2pso n ASP 991 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 2pso h ARG 992 N 0.00 0.40 0.00 0.11 0.11 -2.02 -3.27 114.38 109.70 2pso h ARG 992 Ca 0.00 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 60.01 2pso h ARG 992 Cb 0.00 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.01 2pso h ARG 992 CO 0.00 0.43 -0.00 1.04 0.10 0.00 0.00 179.97 181.54 2pso n GLN 993 N -4.33 2.48 -3.83 0.08 6.02 -1.26 -5.01 117.38 111.54 2pso n GLN 993 Ca 0.01 -1.35 -0.13 0.00 -0.01 0.00 0.00 57.00 55.52 2pso n GLN 993 Cb 0.21 -0.92 -0.14 0.00 1.02 0.00 0.00 30.24 30.40 2pso n GLN 993 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2pso s THR 994 N -0.86 -0.02 0.34 5.09 -4.23 -1.24 -1.06 115.64 113.66 2pso s THR 994 Ca 0.00 0.07 0.01 0.00 -1.18 0.00 0.00 61.69 60.60 2pso s THR 994 Cb 0.00 -0.07 -0.00 0.00 1.34 0.00 0.00 72.50 73.78 2pso s THR 994 CO 0.00 0.03 0.42 -1.84 -0.54 0.00 0.00 174.62 172.69 2pso n GLU 995 N 3.46 0.60 -4.09 3.99 0.28 0.38 -1.92 120.64 123.34 2pso n GLU 995 Ca -0.18 -2.92 -0.30 0.00 -0.16 0.00 0.00 57.16 53.61 2pso n GLU 995 Cb 0.56 2.66 -0.16 0.00 1.43 0.00 0.00 31.44 35.93 2pso n GLU 995 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2pso s ILE 996 N -2.97 1.60 0.07 3.84 1.01 -0.19 -0.95 121.20 123.60 2pso s ILE 996 Ca 0.32 -0.66 0.09 0.00 0.00 0.00 0.00 60.65 60.40 2pso s ILE 996 Cb -0.00 -1.49 -0.03 0.00 0.01 0.00 0.00 42.46 40.95 2pso s ILE 996 CO 0.23 0.46 -0.23 -0.47 0.00 0.00 0.00 174.94 174.93 2pso s TYR 997 N 1.40 2.03 -0.05 3.97 5.04 0.76 -1.20 117.35 129.29 2pso s TYR 997 Ca 0.03 -0.39 0.03 0.00 -2.44 0.00 0.00 57.07 54.30 2pso s TYR 997 Cb -0.13 -1.18 0.01 0.00 0.35 0.00 0.00 41.96 41.01 2pso s TYR 997 CO -0.10 0.16 -0.11 -1.14 -1.34 0.00 0.00 175.55 173.02 2pso s GLN 998 N -1.44 1.41 0.13 4.97 0.74 -1.20 -0.40 119.66 123.87 2pso s GLN 998 Ca 0.09 -0.38 -0.15 0.00 0.05 0.00 0.00 55.36 54.98 2pso s GLN 998 Cb -0.10 -1.22 0.02 0.00 1.10 0.00 0.00 33.01 32.82 2pso s GLN 998 CO 0.03 0.08 0.38 1.52 -0.55 0.00 0.00 175.29 176.75 2pso s TYR 999 N 0.44 -0.08 -0.03 1.67 -0.85 -0.15 -2.25 117.35 116.10 2pso s TYR 999 Ca -0.09 -0.26 0.06 0.00 -0.52 0.00 0.00 57.07 56.26 2pso s TYR 999 Cb -0.13 0.21 -0.01 0.00 0.38 0.00 0.00 41.96 42.40 2pso s TYR 999 CO 0.02 -0.71 -0.21 0.08 -1.52 0.00 0.00 175.55 173.20 2pso s VAL 1000N -3.84 1.71 -0.08 -3.49 1.01 -1.25 0.16 120.40 114.63 2pso s VAL 1000Ca 0.06 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.16 2pso s VAL 1000Cb 0.02 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 2pso s VAL 1000CO -0.09 0.48 -0.20 -0.76 0.00 0.00 0.00 175.10 174.54 2pso s LEU 1001N -0.35 2.37 0.38 3.92 1.43 -0.34 -1.65 118.68 124.45 2pso s LEU 1001Ca 0.04 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 2pso s LEU 1001Cb -0.10 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 2pso s LEU 1001CO 0.00 0.22 0.59 0.20 0.23 0.00 0.00 176.35 177.60 2pso s ASN 1002N -0.03 6.14 -0.05 2.29 0.02 -1.21 -0.02 114.94 122.08 2pso s ASN 1002Ca -0.06 0.38 -0.01 0.00 -1.02 0.00 0.00 52.86 52.15 2pso s ASN 1002Cb -0.15 -1.85 -0.04 0.00 0.02 0.00 0.00 41.25 39.24 2pso s ASN 1002CO 0.05 -0.43 0.03 -0.44 0.02 0.00 0.00 177.10 176.32 2pso s SER 1003N -4.10 5.40 0.06 -1.22 0.01 -1.26 -4.90 113.70 107.68 2pso s SER 1003Ca 0.43 0.14 -0.18 0.00 1.31 0.00 0.00 55.95 57.65 2pso s SER 1003Cb -0.10 -1.53 -0.14 0.00 0.21 0.00 0.00 66.02 64.46 2pso s SER 1003CO 0.37 0.34 1.31 0.00 0.41 0.00 0.00 173.24 175.66 2pso h MET 1004N 4.72 0.53 0.00 12.44 -0.00 -1.95 -3.45 114.93 127.22 2pso h MET 1004Ca -0.50 -0.34 -0.47 0.00 -0.00 0.00 0.00 59.70 58.39 2pso h MET 1004Cb 1.19 0.05 0.08 0.00 -0.00 0.00 0.00 31.60 32.91 2pso h MET 1004CO 0.57 0.96 0.10 0.00 -0.00 0.00 0.00 176.91 178.53 2pso n ALA 1005N -2.50 0.29 -0.32 -3.00 0.00 -1.26 -4.93 120.51 108.79 2pso n ALA 1005Ca -0.06 -1.97 -0.03 0.00 0.00 0.00 0.00 53.44 51.37 2pso n ALA 1005Cb 0.50 0.35 -0.04 0.00 0.00 0.00 0.00 19.45 20.25 2pso n ALA 1005CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2pso n PRO 1006N -2.80 0.64 -2.87 0.00 -0.02 -1.26 -4.84 135.00 123.84 2pso n PRO 1006Ca 0.17 -0.26 -0.27 0.00 -2.02 0.00 0.00 63.50 61.11 2pso n PRO 1006Cb 0.59 -1.57 -0.01 0.00 -0.02 0.00 0.00 33.50 32.49 2pso n PRO 1006CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2pso s HIS 1007N 1.93 3.53 0.87 6.00 3.76 -1.26 -5.10 115.29 125.02 2pso s HIS 1007Ca 0.17 0.72 -0.11 0.00 -0.15 0.00 0.00 55.06 55.69 2pso s HIS 1007Cb 0.08 -2.21 0.11 0.00 1.11 0.00 0.00 32.58 31.67 2pso s HIS 1007CO 0.00 -0.14 1.09 -2.14 -0.85 0.00 0.00 174.74 172.70 2pso s PRO 1008N -4.46 1.48 0.58 8.40 0.02 -1.26 -4.69 135.00 135.06 2pso s PRO 1008Ca 0.46 0.91 -0.10 0.00 0.02 0.00 0.00 61.00 62.29 2pso s PRO 1008Cb -0.10 -1.83 0.14 0.00 0.02 0.00 0.00 34.50 32.73 2pso s PRO 1008CO 0.40 -2.11 0.67 -1.13 -0.33 0.00 0.00 177.00 174.50 2pso n SER 1009N -3.81 -0.57 -3.91 2.53 3.41 -1.26 -4.62 113.62 105.39 2pso n SER 1009Ca 0.07 -1.11 -0.31 0.00 -0.26 0.00 0.00 58.87 57.27 2pso n SER 1009Cb 0.55 -0.55 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 2pso n SER 1009CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pso s ARG 1010N -4.48 1.25 -0.04 4.33 3.03 0.97 -3.13 118.95 120.88 2pso s ARG 1010Ca 0.40 -1.46 -0.29 0.00 2.03 0.00 0.00 55.73 56.40 2pso s ARG 1010Cb -0.02 -2.69 -0.03 0.00 -1.03 0.00 0.00 34.95 31.18 2pso s ARG 1010CO 0.29 -0.90 0.96 0.34 -1.13 0.00 0.00 175.30 174.85 2pso s ASP 1011N 1.22 7.29 -0.18 -2.89 -1.08 0.10 -1.20 116.67 119.93 2pso s ASP 1011Ca 0.08 1.56 0.01 0.00 -0.52 0.00 0.00 52.55 53.68 2pso s ASP 1011Cb -0.18 -2.55 0.03 0.00 -1.46 0.00 0.00 42.92 38.76 2pso s ASP 1011CO -0.14 -0.30 -0.16 -0.36 0.52 0.00 0.00 175.17 174.73 2pso s PHE 1012N 1.30 2.59 -0.17 -5.34 0.40 0.12 -1.72 117.98 115.16 2pso s PHE 1012Ca 0.49 -1.57 0.01 0.00 -0.60 0.00 0.00 56.93 55.26 2pso s PHE 1012Cb -0.20 -1.79 0.01 0.00 0.51 0.00 0.00 43.02 41.55 2pso s PHE 1012CO 0.24 -0.77 -0.18 0.08 0.70 0.00 0.00 175.22 175.29 2pso s VAL 1013N 1.35 2.30 -0.09 -0.44 1.01 -1.26 -0.98 120.40 122.29 2pso s VAL 1013Ca 0.03 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 2pso s VAL 1013Cb -0.14 -1.96 0.05 0.00 0.00 0.00 0.00 36.38 34.33 2pso s VAL 1013CO -0.11 0.53 0.20 -0.69 0.00 0.00 0.00 175.10 175.02 2pso s VAL 1014N 1.08 -0.11 -0.16 2.92 1.01 0.46 -1.68 120.40 123.92 2pso s VAL 1014Ca -0.00 0.20 -0.26 0.00 0.00 0.00 0.00 61.98 61.91 2pso s VAL 1014Cb -0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 36.38 35.90 2pso s VAL 1014CO -0.07 0.08 0.88 -0.22 0.00 0.00 0.00 175.10 175.78 2pso s LEU 1015N 1.48 4.18 -0.02 3.92 2.96 -0.23 -0.17 118.68 130.80 2pso s LEU 1015Ca -0.07 1.26 0.02 0.00 -0.22 0.00 0.00 54.13 55.13 2pso s LEU 1015Cb -0.11 -3.32 0.00 0.00 0.50 0.00 0.00 46.19 43.26 2pso s LEU 1015CO -0.07 -0.43 -0.07 0.00 -1.32 0.00 0.00 176.35 174.46 2pso s ARG 1016N 2.20 0.70 0.18 1.98 1.70 -0.13 -1.43 118.95 124.14 2pso s ARG 1016Ca 0.41 -0.22 0.08 0.00 -0.47 0.00 0.00 55.73 55.53 2pso s ARG 1016Cb -0.17 -0.68 -0.04 0.00 -0.57 0.00 0.00 34.95 33.49 2pso s ARG 1016CO 0.13 0.09 -0.17 -0.08 -1.08 0.00 0.00 175.30 174.18 2pso s THR 1017N 0.16 1.82 -0.01 4.99 -1.32 -0.39 -0.47 115.64 120.41 2pso s THR 1017Ca -0.02 -1.99 -0.16 0.00 -1.21 0.00 0.00 61.69 58.31 2pso s THR 1017Cb -0.07 -1.89 0.03 0.00 -1.51 0.00 0.00 72.50 69.06 2pso s THR 1017CO -0.00 -0.37 0.34 -1.66 -2.21 0.00 0.00 174.62 170.72 2pso s TRP 1018N -2.24 -0.22 0.04 9.09 -2.14 -0.23 -0.79 118.94 122.46 2pso s TRP 1018Ca 0.17 0.32 0.05 0.00 2.66 0.00 0.00 56.10 59.30 2pso s TRP 1018Cb -0.05 0.13 -0.02 0.00 -3.10 0.00 0.00 33.47 30.43 2pso s TRP 1018CO 0.07 -0.42 -0.14 0.15 -2.66 0.00 0.00 176.95 173.94 2pso s LYS 1019N -1.43 0.95 0.00 3.25 3.01 -0.63 -4.83 119.74 120.06 2pso s LYS 1019Ca -0.13 -0.79 0.00 0.00 -1.01 0.00 0.00 55.97 54.04 2pso s LYS 1019Cb -0.04 -0.96 0.00 0.00 -1.01 0.00 0.00 37.83 35.81 2pso s LYS 1019CO 0.04 0.24 0.00 0.25 0.51 0.00 0.00 175.35 176.39 2pso n THR 1020N 1.83 0.00 -3.05 2.17 -2.24 -1.26 -2.65 114.28 109.08 2pso n THR 1020Ca -0.18 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.15 2pso n THR 1020Cb 0.55 -0.11 -0.01 0.00 -2.10 0.00 0.00 70.33 68.66 2pso n THR 1020CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2pso s ASP 1021N -2.14 6.90 -0.01 3.42 1.11 -1.26 -4.65 116.67 120.04 2pso s ASP 1021Ca 0.00 -2.68 -0.02 0.00 0.18 0.00 0.00 52.55 50.03 2pso s ASP 1021Cb 0.00 -2.34 -0.00 0.00 1.07 0.00 0.00 42.92 41.65 2pso s ASP 1021CO 0.00 -0.77 0.03 -0.76 1.18 0.00 0.00 175.17 174.85 2pso s LEU 1022N 1.37 1.90 -0.07 1.23 1.43 -1.25 -5.01 118.68 118.28 2pso s LEU 1022Ca 0.33 -0.05 -0.29 0.00 -1.03 0.00 0.00 54.13 53.09 2pso s LEU 1022Cb -0.06 0.17 -0.14 0.00 0.03 0.00 0.00 46.19 46.19 2pso s LEU 1022CO -0.06 -0.10 0.82 -2.65 0.23 0.00 0.00 176.35 174.59 2pso n PRO 1023N 2.66 0.00 -1.55 1.29 -0.01 -1.26 -1.29 135.00 134.84 2pso n PRO 1023Ca -0.15 0.00 -0.16 0.00 -0.01 0.00 0.00 63.50 63.18 2pso n PRO 1023Cb 0.58 -1.04 -0.06 0.00 -0.01 0.00 0.00 33.50 32.97 2pso n PRO 1023CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 175.50 175.85 2pso n LYS 1024N 1.39 -1.10 -2.62 -0.52 -0.00 -1.26 -3.28 118.16 110.76 2pso n LYS 1024Ca 0.15 1.02 -0.04 0.00 -0.00 0.00 0.00 58.31 59.44 2pso n LYS 1024Cb 0.04 -5.20 0.02 0.00 -0.00 0.00 0.00 35.03 29.88 2pso n LYS 1024CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2pso n GLY 1025N -1.06 0.61 3.70 2.58 0.00 -0.41 -5.04 105.19 105.57 2pso n GLY 1025Ca -0.16 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 2pso n GLY 1025CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2pso s MET 1026N -5.06 4.34 -0.14 1.61 1.00 -0.49 -4.77 119.30 115.80 2pso s MET 1026Ca 0.09 0.76 -0.03 0.00 0.00 0.00 0.00 55.69 56.51 2pso s MET 1026Cb -0.04 -3.50 -0.03 0.00 0.00 0.00 0.00 34.83 31.26 2pso s MET 1026CO 0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 175.02 175.08 2pso s THR 1028N 0.00 1.12 -0.16 0.00 -4.23 -1.08 0.55 115.64 111.84 2pso s THR 1028Ca 0.01 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 2pso s THR 1028Cb -0.13 -0.94 0.02 0.00 1.34 0.00 0.00 72.50 72.79 2pso s THR 1028CO 0.02 0.27 -0.15 -0.22 -0.54 0.00 0.00 174.62 174.00 2pso s LEU 1029N -0.44 1.79 -0.02 4.79 2.96 -0.48 -1.61 118.68 125.66 2pso s LEU 1029Ca 0.05 -0.53 0.07 0.00 -0.22 0.00 0.00 54.13 53.50 2pso s LEU 1029Cb -0.06 -1.25 -0.02 0.00 0.50 0.00 0.00 46.19 45.37 2pso s LEU 1029CO -0.00 -0.04 -0.24 0.68 -1.32 0.00 0.00 176.35 175.43 2pso s VAL 1030N 1.44 1.87 0.05 1.68 -7.23 0.03 0.36 120.40 118.62 2pso s VAL 1030Ca 0.05 -1.00 0.05 0.00 -1.81 0.00 0.00 61.98 59.27 2pso s VAL 1030Cb -0.13 -1.56 -0.03 0.00 0.56 0.00 0.00 36.38 35.23 2pso s VAL 1030CO -0.11 0.53 -0.14 -0.44 -0.31 0.00 0.00 175.10 174.62 2pso s SER 1031N -0.47 1.67 -0.02 4.85 0.01 0.12 -1.27 113.70 118.59 2pso s SER 1031Ca 0.07 -0.53 -0.08 0.00 1.31 0.00 0.00 55.95 56.72 2pso s SER 1031Cb -0.10 -0.08 0.01 0.00 0.21 0.00 0.00 66.02 66.06 2pso s SER 1031CO -0.00 -0.02 0.17 -1.48 0.41 0.00 0.00 173.24 172.32 2pso s LEU 1032N -1.42 1.42 0.22 2.44 0.05 -0.52 -2.56 118.68 118.32 2pso s LEU 1032Ca -0.00 -0.02 -0.30 0.00 0.05 0.00 0.00 54.13 53.86 2pso s LEU 1032Cb -0.09 0.72 -0.09 0.00 -2.05 0.00 0.00 46.19 44.68 2pso s LEU 1032CO 0.02 -0.29 1.30 -0.44 -0.55 0.00 0.00 176.35 176.39 2pso s SER 1033N -0.97 6.89 0.33 1.48 0.01 -0.38 -1.07 113.70 119.98 2pso s SER 1033Ca -0.11 2.45 0.06 0.00 1.31 0.00 0.00 55.95 59.66 2pso s SER 1033Cb -0.06 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.53 2pso s SER 1033CO 0.01 -0.52 0.29 0.68 0.41 0.00 0.00 173.24 174.12 2pso s VAL 1034N -0.14 0.00 -0.04 3.43 -7.23 -0.68 -4.84 120.40 110.89 2pso s VAL 1034Ca 0.55 -1.96 0.05 0.00 -1.81 0.00 0.00 61.98 58.80 2pso s VAL 1034Cb -0.37 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.03 2pso s VAL 1034CO 0.41 0.00 -0.17 -1.61 -0.31 0.00 0.00 175.10 173.41 2pso s GLU 1035N -3.44 2.43 0.01 4.82 2.02 -1.26 -4.58 118.70 118.69 2pso s GLU 1035Ca 0.40 -0.76 0.03 0.00 0.02 0.00 0.00 54.97 54.66 2pso s GLU 1035Cb 0.02 -2.30 -0.01 0.00 0.10 0.00 0.00 34.13 31.95 2pso s GLU 1035CO 0.26 0.59 -0.11 -1.58 0.02 0.00 0.00 175.26 174.45 2pso s HIS 1036N -0.67 0.93 0.61 1.61 2.46 -1.26 -5.03 115.29 113.94 2pso s HIS 1036Ca 0.10 -0.24 0.31 0.00 0.47 0.00 0.00 55.06 55.70 2pso s HIS 1036Cb -0.11 -0.58 1.77 0.00 -0.13 0.00 0.00 32.58 33.53 2pso s HIS 1036CO 0.00 -0.01 2.14 1.05 -2.47 0.00 0.00 174.74 175.45 2pso h GLU 1037N 5.53 0.00 -0.22 2.88 9.09 -2.01 -2.84 114.58 127.01 2pso h GLU 1037Ca -0.33 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.06 2pso h GLU 1037Cb 1.18 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.27 2pso h GLU 1037CO 0.47 0.00 -0.01 0.39 0.05 0.00 0.00 179.01 179.92 2pso n GLU 1038N -3.64 2.52 -3.20 1.06 1.02 -1.26 -4.66 120.64 112.48 2pso n GLU 1038Ca 0.00 -2.83 -0.23 0.00 -0.02 0.00 0.00 57.16 54.09 2pso n GLU 1038Cb 0.27 -1.78 -0.06 0.00 -0.02 0.00 0.00 31.44 29.85 2pso n GLU 1038CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pso n ALA 1039N -0.74 2.70 -1.43 0.62 0.00 -1.07 -5.07 120.51 115.51 2pso n ALA 1039Ca 0.21 -3.68 -0.33 0.00 0.00 0.00 0.00 53.44 49.64 2pso n ALA 1039Cb 0.86 -0.85 0.06 0.00 0.00 0.00 0.00 19.45 19.52 2pso n ALA 1039CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2pso s GLN 1040N -1.90 2.55 -0.44 0.00 -2.07 -1.26 -4.78 119.66 111.75 2pso s GLN 1040Ca 0.38 1.45 -0.45 0.00 -1.82 0.00 0.00 55.36 54.93 2pso s GLN 1040Cb 0.23 -1.91 -0.18 0.00 -1.09 0.00 0.00 33.01 30.05 2pso s GLN 1040CO -0.09 -1.45 1.74 -0.11 -1.32 0.00 0.00 175.29 174.05 2pso n LEU 1041N -2.64 1.46 -0.00 2.60 7.94 -1.26 -4.84 117.00 120.26 2pso n LEU 1041Ca 0.11 1.06 0.06 0.00 -1.11 0.00 0.00 56.01 56.13 2pso n LEU 1041Cb 0.52 -0.96 -0.09 0.00 0.53 0.00 0.00 43.42 43.42 2pso n LEU 1041CO 0.48 -0.73 -0.33 0.00 -1.11 0.00 0.00 177.39 175.71 2pso n LEU 1042N 5.06 0.32 0.00 -1.96 -0.00 -1.26 -5.02 117.00 114.13 2pso n LEU 1042Ca 0.34 -0.26 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 2pso n LEU 1042Cb -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2pso n LEU 1042CO 0.87 0.08 0.00 0.61 -0.00 0.00 0.00 177.39 178.95 2pso n GLY 1043N 1.51 5.32 0.00 1.47 0.00 -1.26 -5.09 105.19 107.14 2pso n GLY 1043Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.60 2pso n GLY 1043CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pso n GLY 1044N 3.05 -0.09 3.53 -0.02 0.00 -1.26 -4.99 105.19 105.41 2pso n GLY 1044Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2pso n GLY 1044CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pso s VAL 1045N -0.52 3.83 -0.04 1.61 1.01 -1.18 -4.93 120.40 120.18 2pso s VAL 1045Ca 0.00 -0.40 -0.28 0.00 0.00 0.00 0.00 61.98 61.30 2pso s VAL 1045Cb 0.00 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 2pso s VAL 1045CO 0.00 0.53 0.89 -0.13 0.00 0.00 0.00 175.10 176.39 2pso s ARG 1046N -0.07 4.50 0.39 2.72 1.81 -1.26 0.02 118.95 127.06 2pso s ARG 1046Ca 0.01 1.23 -0.11 0.00 -1.72 0.00 0.00 55.73 55.14 2pso s ARG 1046Cb -0.13 -3.47 -0.07 0.00 -0.45 0.00 0.00 34.95 30.83 2pso s ARG 1046CO 0.03 -0.05 0.76 0.00 -0.68 0.00 0.00 175.30 175.36 2pso s ALA 1047N 1.07 3.35 -0.46 2.13 0.00 -0.70 -4.59 121.76 122.55 2pso s ALA 1047Ca 0.47 -0.17 -0.07 0.00 0.00 0.00 0.00 51.96 52.18 2pso s ALA 1047Cb -0.20 -2.71 0.12 0.00 0.00 0.00 0.00 23.12 20.33 2pso s ALA 1047CO 0.24 0.03 0.31 0.08 0.00 0.00 0.00 175.76 176.42 2pso s VAL 1048N -2.32 3.93 -0.60 0.00 1.01 -0.39 -4.76 120.40 117.26 2pso s VAL 1048Ca 0.52 -1.92 -0.27 0.00 0.00 0.00 0.00 61.98 60.30 2pso s VAL 1048Cb -0.10 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2pso s VAL 1048CO 0.30 -0.76 1.55 -0.69 0.00 0.00 0.00 175.10 175.50 2pso s VAL 1049N 1.23 3.61 0.09 2.92 1.01 -1.26 -1.03 120.40 126.98 2pso s VAL 1049Ca 0.07 0.45 -0.12 0.00 0.00 0.00 0.00 61.98 62.39 2pso s VAL 1049Cb -0.25 -4.33 -0.22 0.00 0.00 0.00 0.00 36.38 31.59 2pso s VAL 1049CO -0.02 -1.18 1.22 0.24 0.00 0.00 0.00 175.10 175.36 2pso h MET 1050N 12.22 0.65 -3.05 2.72 2.86 -1.47 -1.01 114.93 127.84 2pso h MET 1050Ca -0.27 -0.69 -0.19 0.00 -2.06 0.00 0.00 59.70 56.49 2pso h MET 1050Cb 1.11 0.19 -0.29 0.00 0.06 0.00 0.00 31.60 32.67 2pso h MET 1050CO 1.20 1.28 -0.48 -0.51 1.06 0.00 0.00 176.91 179.46 2pso s ASP 1051N -7.24 -0.26 -0.28 1.22 1.11 -1.01 -4.86 116.67 105.35 2pso s ASP 1051Ca -0.09 0.51 0.01 0.00 0.18 0.00 0.00 52.55 53.16 2pso s ASP 1051Cb 0.07 0.41 0.17 0.00 1.07 0.00 0.00 42.92 44.64 2pso s ASP 1051CO 0.91 -0.15 0.46 -0.55 1.18 0.00 0.00 175.17 177.02 2pso s SER 1052N 1.08 -0.25 -0.10 0.27 0.15 -1.06 -0.41 113.70 113.37 2pso s SER 1052Ca -0.08 0.04 0.02 0.00 0.70 0.00 0.00 55.95 56.63 2pso s SER 1052Cb -0.09 1.42 -0.01 0.00 -1.71 0.00 0.00 66.02 65.63 2pso s SER 1052CO -0.07 -0.32 -0.18 0.00 1.20 0.00 0.00 173.24 173.87 2pso s GLN 1053N 2.64 3.10 -0.27 5.44 0.00 0.32 0.11 119.66 131.00 2pso s GLN 1053Ca 0.12 -0.78 -0.14 0.00 -0.00 0.00 0.00 55.36 54.56 2pso s GLN 1053Cb -0.13 -2.44 -0.04 0.00 0.00 0.00 0.00 33.01 30.40 2pso s GLN 1053CO -0.25 0.26 0.32 0.71 0.00 0.00 0.00 175.29 176.33 2pso s TYR 1054N 0.19 3.24 -0.33 9.60 1.51 0.16 -0.80 117.35 130.92 2pso s TYR 1054Ca -0.11 0.33 -0.05 0.00 -1.01 0.00 0.00 57.07 56.23 2pso s TYR 1054Cb -0.16 -2.51 0.05 0.00 -0.11 0.00 0.00 41.96 39.22 2pso s TYR 1054CO 0.06 -0.20 0.08 -0.51 -1.11 0.00 0.00 175.55 173.87 2pso s LEU 1055N 1.97 4.25 -0.46 -1.29 1.43 0.79 -1.39 118.68 123.98 2pso s LEU 1055Ca 0.13 -1.24 -0.12 0.00 -1.03 0.00 0.00 54.13 51.87 2pso s LEU 1055Cb -0.16 -1.82 0.09 0.00 0.03 0.00 0.00 46.19 44.33 2pso s LEU 1055CO 0.10 -0.32 0.35 -0.63 0.23 0.00 0.00 176.35 176.08 2pso s ILE 1056N 1.34 4.71 -0.08 -0.59 1.01 0.19 -1.52 121.20 126.26 2pso s ILE 1056Ca -0.02 -1.33 0.12 0.00 0.00 0.00 0.00 60.65 59.41 2pso s ILE 1056Cb -0.20 -3.89 0.18 0.00 0.01 0.00 0.00 42.46 38.56 2pso s ILE 1056CO 0.01 -0.61 1.08 -1.84 0.00 0.00 0.00 174.94 173.58 2pso n GLU 1057N 5.06 1.69 -5.12 2.79 0.28 -1.26 -1.16 120.64 122.91 2pso n GLU 1057Ca -0.11 -2.10 -0.32 0.00 -0.16 0.00 0.00 57.16 54.47 2pso n GLU 1057Cb 0.43 -1.26 -0.16 0.00 1.43 0.00 0.00 31.44 31.88 2pso n GLU 1057CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2pso s SER 1064N -2.12 3.37 -0.29 -1.84 0.15 -1.19 -4.87 113.70 106.91 2pso s SER 1064Ca 0.20 -0.44 -0.16 0.00 0.70 0.00 0.00 55.95 56.24 2pso s SER 1064Cb 0.17 -1.06 -0.03 0.00 -1.71 0.00 0.00 66.02 63.39 2pso s SER 1064CO 0.02 0.23 0.41 0.00 1.20 0.00 0.00 173.24 175.10 2pso s ARG 1065N -0.07 3.88 -0.35 5.44 1.04 -1.26 -0.72 118.95 126.91 2pso s ARG 1065Ca -0.05 -0.04 -0.22 0.00 -1.04 0.00 0.00 55.73 54.38 2pso s ARG 1065Cb -0.14 -3.71 0.00 0.00 -2.04 0.00 0.00 34.95 29.07 2pso s ARG 1065CO 0.04 -0.39 0.72 -1.17 -0.04 0.00 0.00 175.30 174.47 2pso s LEU 1066N 2.14 4.17 -0.24 -1.89 2.96 0.30 -4.43 118.68 121.69 2pso s LEU 1066Ca 0.16 0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 54.37 2pso s LEU 1066Cb -0.16 -2.93 0.03 0.00 0.50 0.00 0.00 46.19 43.63 2pso s LEU 1066CO 0.11 -0.65 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.51 2pso s THR 1067N 2.91 2.71 -0.35 3.68 2.01 -0.57 -1.85 115.64 124.19 2pso s THR 1067Ca 0.29 -1.08 -0.09 0.00 0.31 0.00 0.00 61.69 61.12 2pso s THR 1067Cb -0.14 -2.37 0.03 0.00 0.01 0.00 0.00 72.50 70.02 2pso s THR 1067CO 0.15 0.21 0.15 -2.28 -0.69 0.00 0.00 174.62 172.17 2pso s HIS 1068N 1.30 3.23 -0.27 4.92 2.46 -0.27 -0.15 115.29 126.50 2pso s HIS 1068Ca -0.00 -1.09 -0.11 0.00 0.47 0.00 0.00 55.06 54.34 2pso s HIS 1068Cb -0.17 -2.35 -0.05 0.00 -0.13 0.00 0.00 32.58 29.88 2pso s HIS 1068CO -0.05 -0.65 0.18 0.42 -2.47 0.00 0.00 174.74 172.16 2pso s ILE 1069N 1.50 5.20 0.17 0.89 1.01 0.02 -1.42 121.20 128.57 2pso s ILE 1069Ca 0.01 0.13 -0.05 0.00 0.00 0.00 0.00 60.65 60.74 2pso s ILE 1069Cb -0.19 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 38.79 2pso s ILE 1069CO 0.05 0.26 0.21 0.00 0.00 0.00 0.00 174.94 175.46 2pso s ARG 1071N -4.04 0.47 -0.05 0.00 3.52 0.45 -0.55 118.95 118.75 2pso s ARG 1071Ca 0.25 0.50 0.05 0.00 -0.13 0.00 0.00 55.73 56.40 2pso s ARG 1071Cb 0.05 -0.02 -0.01 0.00 -1.56 0.00 0.00 34.95 33.41 2pso s ARG 1071CO 0.05 -0.87 -0.21 0.42 -0.81 0.00 0.00 175.30 173.87 2pso s ILE 1072N 2.68 1.74 -0.74 4.11 1.01 -1.26 -1.12 121.20 127.61 2pso s ILE 1072Ca 0.13 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 59.73 2pso s ILE 1072Cb -0.13 -1.48 0.17 0.00 0.01 0.00 0.00 42.46 41.03 2pso s ILE 1072CO -0.24 0.49 0.76 -0.62 0.00 0.00 0.00 174.94 175.33 2pso s ASP 1073N -0.08 6.52 -0.18 3.58 -1.08 -0.20 -4.97 116.67 120.27 2pso s ASP 1073Ca -0.03 -2.18 -0.25 0.00 -0.52 0.00 0.00 52.55 49.57 2pso s ASP 1073Cb -0.12 -2.26 -0.01 0.00 -1.46 0.00 0.00 42.92 39.06 2pso s ASP 1073CO 0.03 -0.81 0.83 -0.76 0.52 0.00 0.00 175.17 174.98 2pso s LEU 1074N 1.32 4.16 -0.04 -1.34 1.02 -1.26 -1.26 118.68 121.27 2pso s LEU 1074Ca 0.16 1.15 -0.30 0.00 0.02 0.00 0.00 54.13 55.17 2pso s LEU 1074Cb -0.16 -3.23 -0.03 0.00 0.02 0.00 0.00 46.19 42.79 2pso s LEU 1074CO -0.04 -0.41 1.13 -0.54 0.02 0.00 0.00 176.35 176.51 2pso s LYS 1075N 2.24 4.40 0.00 1.70 1.02 -1.26 -4.52 119.74 123.32 2pso s LYS 1075Ca 0.38 1.59 0.00 0.00 0.02 0.00 0.00 55.97 57.96 2pso s LYS 1075Cb -0.16 -3.51 0.00 0.00 -0.52 0.00 0.00 37.83 33.63 2pso s LYS 1075CO 0.12 -0.34 0.00 0.41 -0.92 0.00 0.00 175.35 174.61 2pso n GLY 1076N 3.23 -0.23 0.00 -3.33 0.00 -1.26 -5.10 105.19 98.49 2pso n GLY 1076Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2pso n GLY 1076CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2pso n HIS 1077N -1.00 0.00 -2.92 1.61 8.25 -1.26 -5.17 115.22 114.72 2pso n HIS 1077Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 2pso n HIS 1077Cb 0.49 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.60 2pso n HIS 1077CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2pso s SER 1078N 0.39 6.26 0.05 0.41 1.04 -1.26 -5.03 113.70 115.55 2pso s SER 1078Ca 0.00 0.73 -0.23 0.00 0.48 0.00 0.00 55.95 56.93 2pso s SER 1078Cb 0.00 -2.14 -0.15 0.00 0.10 0.00 0.00 66.02 63.83 2pso s SER 1078CO 0.00 -0.48 1.51 -0.65 0.98 0.00 0.00 173.24 174.60 2pso h PRO 1079N 0.42 0.10 0.00 4.02 0.11 -2.02 -3.09 132.00 131.55 2pso h PRO 1079Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2pso h PRO 1079Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2pso h PRO 1079CO 0.61 0.32 0.00 0.93 -0.21 0.00 0.00 178.00 179.66 2pso h GLU 1080N -0.13 0.00 -0.02 1.05 3.07 -1.97 -2.95 114.58 113.63 2pso h GLU 1080Ca 0.02 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.85 2pso h GLU 1080Cb 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 2pso h GLU 1080CO 0.00 0.00 -0.10 2.35 -1.40 0.00 0.00 179.01 179.86 2pso h TRP 1081N 0.00 0.14 0.00 4.33 7.01 -1.95 -2.47 115.95 123.00 2pso h TRP 1081Ca 0.00 -0.06 0.00 0.00 2.11 0.00 0.00 58.89 60.94 2pso h TRP 1081Cb 0.53 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.57 2pso h TRP 1081CO 0.00 0.74 0.00 1.88 -2.79 0.00 0.00 178.44 178.27 2pso h TYR 1082N -0.51 0.00 -0.01 2.65 0.05 -1.45 -1.32 116.97 116.38 2pso h TYR 1082Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2pso h TYR 1082Cb 0.75 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.49 2pso h TYR 1082CO 0.15 0.00 -0.64 0.45 -1.05 0.00 0.00 178.16 177.07 2pso n SER 1083N -2.41 1.38 0.00 3.88 2.88 -1.12 -4.71 113.62 113.52 2pso n SER 1083Ca 0.03 -1.19 0.00 0.00 -1.33 0.00 0.00 58.87 56.37 2pso n SER 1083Cb 0.30 0.73 0.00 0.00 -0.75 0.00 0.00 64.21 64.49 2pso n SER 1083CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2pso n LYS 1084N -0.73 0.00 -0.35 -1.46 4.01 -0.93 -4.94 118.16 113.76 2pso n LYS 1084Ca 0.06 0.00 0.33 0.00 -0.51 0.00 0.00 58.31 58.19 2pso n LYS 1084Cb 0.35 0.00 0.59 0.00 -0.51 0.00 0.00 35.03 35.46 2pso n LYS 1084CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2pso n GLY 1085N 0.77 -0.74 0.24 0.72 0.00 -0.68 -0.28 105.19 105.22 2pso n GLY 1085Ca 0.00 0.77 -0.04 0.00 0.00 0.00 0.00 46.02 46.75 2pso n GLY 1085CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2pso h PHE 1086N 0.00 0.58 -0.30 1.61 3.04 -1.58 -1.71 116.94 118.57 2pso h PHE 1086Ca 0.83 -0.12 -0.14 0.00 3.98 0.00 0.00 57.97 62.51 2pso h PHE 1086Cb 2.32 -0.14 -0.00 0.00 2.56 0.00 0.00 35.95 40.68 2pso h PHE 1086CO -0.01 0.71 -0.37 0.78 -2.02 0.00 0.00 178.31 177.41 2pso h GLY 1087N 1.00 0.86 1.90 2.40 0.00 -0.92 -1.63 103.07 106.69 2pso h GLY 1087Ca 0.07 -0.91 -0.07 0.00 0.00 0.00 0.00 47.33 46.42 2pso h GLY 1087CO 0.05 0.82 -0.29 0.45 0.00 0.00 0.00 176.54 177.57 2pso h HIS 1088N 0.55 0.13 -0.60 5.60 3.86 -1.44 -1.77 115.15 121.48 2pso h HIS 1088Ca 0.04 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.15 2pso h HIS 1088Cb 0.95 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.37 2pso h HIS 1088CO 0.07 0.40 0.08 -0.07 0.86 0.00 0.00 177.93 179.27 2pso h LEU 1089N 0.10 0.93 -0.77 2.43 3.38 -0.94 -2.05 115.31 118.40 2pso h LEU 1089Ca 0.02 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 2pso h LEU 1089Cb 0.57 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2pso h LEU 1089CO 0.04 0.94 -0.17 0.00 0.09 0.00 0.00 178.44 179.35 2pso h ALA 1091N 1.14 0.75 -0.65 0.00 0.00 -1.24 -2.75 119.26 116.51 2pso h ALA 1091Ca 0.10 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 2pso h ALA 1091Cb 0.65 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2pso h ALA 1091CO 0.05 0.68 0.10 0.00 0.00 0.00 0.00 179.25 180.08 2pso h ALA 1092N 1.02 0.86 0.78 0.00 0.00 -1.18 0.17 119.26 120.90 2pso h ALA 1092Ca 0.02 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2pso h ALA 1092Cb 1.04 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.60 2pso h ALA 1092CO 0.10 0.62 -0.37 0.93 0.00 0.00 0.00 179.25 180.53 2pso h GLU 1093N 0.99 -1.00 -0.08 0.00 5.08 -1.47 -1.74 114.58 116.35 2pso h GLU 1093Ca 0.20 0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.65 2pso h GLU 1093Cb 0.44 0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 2pso h GLU 1093CO 0.01 -0.65 0.07 0.28 -1.00 0.00 0.00 179.01 177.71 2pso h VAL 1094N -1.14 0.72 -0.00 3.13 2.07 -1.36 0.74 116.25 120.41 2pso h VAL 1094Ca -0.11 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 2pso h VAL 1094Cb 0.81 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2pso h VAL 1094CO 0.18 0.00 -0.00 0.00 0.02 0.00 0.00 177.57 177.76 2pso h ALA 1095N 1.94 0.00 0.00 1.67 0.00 -0.55 -3.28 119.26 119.04 2pso h ALA 1095Ca 0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2pso h ALA 1095Cb 0.17 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2pso h ALA 1095CO -0.00 -0.33 -0.15 0.00 0.00 0.00 0.00 179.25 178.77 2pso h ARG 1096N -0.33 0.00 -0.62 0.00 3.08 0.06 -1.09 114.38 115.49 2pso h ARG 1096Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2pso h ARG 1096Cb 0.34 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 2pso h ARG 1096CO 0.00 0.15 0.27 0.82 -1.07 0.00 0.00 179.97 180.14 2pso h ILE 1097N 0.00 1.22 -0.11 2.04 2.04 -1.44 0.29 117.51 121.55 2pso h ILE 1097Ca -0.00 -0.67 -0.14 0.00 1.00 0.00 0.00 64.86 65.05 2pso h ILE 1097Cb 0.29 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2pso h ILE 1097CO 0.02 0.27 -0.55 -0.09 0.00 0.00 0.00 178.15 177.79 2pso h ARG 1098N 0.85 0.33 0.00 2.37 2.43 -1.38 -2.99 114.38 115.99 2pso h ARG 1098Ca 0.21 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2pso h ARG 1098Cb 0.16 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2pso h ARG 1098CO -0.02 0.80 0.00 -0.91 -1.51 0.00 0.00 179.97 178.33 2pso h ASN 1099N 0.25 0.00 -0.22 -3.80 2.35 -0.85 -3.16 115.58 110.15 2pso h ASN 1099Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2pso h ASN 1099Cb 1.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.42 2pso h ASN 1099CO 0.09 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.33 2pso n SER 1100N -2.92 1.92 -0.32 5.81 3.41 0.06 -3.16 113.62 118.41 2pso n SER 1100Ca 0.01 -2.14 0.07 0.00 -0.26 0.00 0.00 58.87 56.55 2pso n SER 1100Cb 0.30 -0.35 0.12 0.00 -0.26 0.00 0.00 64.21 64.02 2pso n SER 1100CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2pso n PHE 1101N 0.22 0.00 -0.55 7.33 3.01 -1.19 -5.00 117.46 121.28 2pso n PHE 1101Ca 0.09 -0.90 0.00 0.00 1.01 0.00 0.00 57.45 57.65 2pso n PHE 1101Cb 0.38 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 2pso n PHE 1101CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81