#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2v s PHE 885 N 0.00 3.52 0.34 -1.84 0.40 -1.26 -5.08 117.98 114.06 3h2v s PHE 885 Ca 0.00 0.57 0.07 0.00 -0.60 0.00 0.00 56.93 56.97 3h2v s PHE 885 Cb 0.00 -2.08 -0.01 0.00 0.51 0.00 0.00 43.02 41.44 3h2v s PHE 885 CO 0.00 -0.02 0.44 -1.25 0.70 0.00 0.00 175.22 175.09 3h2v s PRO 886 N -4.35 3.03 0.00 0.24 0.04 -1.26 -5.09 135.00 127.60 3h2v s PRO 886 Ca 0.43 -1.08 0.00 0.00 0.04 0.00 0.00 61.00 60.39 3h2v s PRO 886 Cb -0.10 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.69 3h2v s PRO 886 CO 0.38 0.06 0.00 -1.91 0.04 0.00 0.00 177.00 175.57 3h2v n GLU 887 N -1.59 3.20 -4.17 4.56 0.00 -1.26 -5.15 120.64 116.22 3h2v n GLU 887 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 57.16 56.97 3h2v n GLU 887 Cb 0.58 0.00 -0.12 0.00 0.00 0.00 0.00 31.44 31.91 3h2v n GLU 887 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.13 178.27 3h2v s GLN 888 N 0.00 0.83 0.00 5.31 -2.07 -1.26 -5.20 119.66 117.27 3h2v s GLN 888 Ca 0.00 -0.97 0.00 0.00 -1.82 0.00 0.00 55.36 52.57 3h2v s GLN 888 Cb 0.00 -0.84 0.00 0.00 -1.09 0.00 0.00 33.01 31.08 3h2v s GLN 888 CO 0.00 0.18 0.09 0.28 -1.32 0.00 0.00 175.29 174.52 3h2v n VAL 893 N 1.25 0.00 -0.14 3.63 0.31 -1.26 -5.23 118.33 116.90 3h2v n VAL 893 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 3h2v n VAL 893 Cb 0.54 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 33.26 3h2v n VAL 893 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3h2v n ILE 894 N 1.96 0.00 -3.52 2.52 -5.35 -1.26 -4.68 119.36 109.03 3h2v n ILE 894 Ca 0.00 0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.19 3h2v n ILE 894 Cb 0.00 0.00 -0.12 0.00 -1.74 0.00 0.00 39.64 37.78 3h2v n ILE 894 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3h2v s ASN 895 N 1.00 3.16 0.12 7.28 2.47 -1.19 -4.81 114.94 122.97 3h2v s ASN 895 Ca 0.00 -2.18 -0.10 0.00 0.42 0.00 0.00 52.86 51.00 3h2v s ASN 895 Cb 0.00 -0.52 0.11 0.00 -1.45 0.00 0.00 41.25 39.39 3h2v s ASN 895 CO 0.00 -0.31 0.81 1.67 -3.72 0.00 0.00 177.10 175.55 3h2v n GLN 896 N 4.07 -0.13 0.26 0.43 7.27 -1.26 -0.25 117.38 127.77 3h2v n GLN 896 Ca 0.10 0.80 0.14 0.00 0.07 0.00 0.00 57.00 58.11 3h2v n GLN 896 Cb 0.37 -1.19 0.67 0.00 2.41 0.00 0.00 30.24 32.50 3h2v n GLN 896 CO 0.00 0.00 0.00 -1.35 0.07 0.00 0.00 177.06 175.78 3h2v h PRO 897 N 0.00 0.00 0.20 3.69 0.11 -1.98 0.14 132.00 134.16 3h2v h PRO 897 Ca 0.17 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 66.00 3h2v h PRO 897 Cb 0.31 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.45 3h2v h PRO 897 CO -0.52 0.11 -1.23 0.52 -0.21 0.00 0.00 178.00 176.68 3h2v h MET 898 N 0.00 0.47 -0.24 1.05 2.86 -0.98 -2.53 114.93 115.56 3h2v h MET 898 Ca -0.00 -0.78 -0.08 0.00 -2.06 0.00 0.00 59.70 56.78 3h2v h MET 898 Cb 0.49 0.29 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 3h2v h MET 898 CO 0.01 1.37 -0.18 0.52 1.06 0.00 0.00 176.91 179.69 3h2v h MET 899 N -0.01 0.42 -0.23 1.72 2.86 -1.08 0.68 114.93 119.29 3h2v h MET 899 Ca -0.21 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.28 3h2v h MET 899 Cb 1.96 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.57 3h2v h MET 899 CO 0.23 0.60 0.07 1.98 1.06 0.00 0.00 176.91 180.85 3h2v h MET 900 N 0.39 0.36 -0.53 1.72 -1.53 -0.76 0.32 114.93 114.89 3h2v h MET 900 Ca 0.07 -0.08 -0.09 0.00 -3.44 0.00 0.00 59.70 56.16 3h2v h MET 900 Cb 0.55 -0.05 -0.02 0.00 -0.55 0.00 0.00 31.60 31.53 3h2v h MET 900 CO 0.04 0.45 -0.00 0.00 0.14 0.00 0.00 176.91 177.53 3h2v h ALA 901 N 0.89 0.72 -0.40 0.39 0.00 -0.99 -0.99 119.26 118.89 3h2v h ALA 901 Ca 0.07 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.74 3h2v h ALA 901 Cb 0.24 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 3h2v h ALA 901 CO -0.00 0.54 0.12 0.00 0.00 0.00 0.00 179.25 179.90 3h2v h ALA 902 N 0.95 0.45 -0.56 0.00 0.00 0.64 -2.82 119.26 117.93 3h2v h ALA 902 Ca 0.15 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 3h2v h ALA 902 Cb 0.53 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3h2v h ALA 902 CO 0.03 -0.28 -0.07 -0.09 0.00 0.00 0.00 179.25 178.84 3h2v h ARG 903 N 0.26 1.03 -0.29 0.00 2.43 -0.68 -1.82 114.38 115.30 3h2v h ARG 903 Ca 0.19 -0.36 -0.01 0.00 -0.81 0.00 0.00 59.98 58.99 3h2v h ARG 903 Cb 0.19 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3h2v h ARG 903 CO -0.21 1.04 0.15 1.96 -1.51 0.00 0.00 179.97 181.40 3h2v h GLN 904 N 0.92 0.39 0.07 0.20 4.20 -0.95 -1.36 115.11 118.60 3h2v h GLN 904 Ca 0.15 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 3h2v h GLN 904 Cb 0.63 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.32 3h2v h GLN 904 CO 0.04 0.30 -0.04 1.25 -0.67 0.00 0.00 178.83 179.72 3h2v h LEU 905 N 0.40 -0.08 -0.87 1.46 5.85 -1.37 -3.19 115.31 117.52 3h2v h LEU 905 Ca 0.10 -0.53 0.21 0.00 0.84 0.00 0.00 57.88 58.51 3h2v h LEU 905 Cb 0.03 0.02 -0.15 0.00 0.37 0.00 0.00 40.66 40.93 3h2v h LEU 905 CO -0.02 0.59 0.02 -0.74 -0.34 0.00 0.00 178.44 177.95 3h2v h HIS 906 N -0.86 -0.04 -0.53 1.25 2.76 -0.87 0.09 115.15 116.95 3h2v h HIS 906 Ca -0.01 0.06 -0.06 0.00 -2.20 0.00 0.00 60.37 58.16 3h2v h HIS 906 Cb 0.61 0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.70 3h2v h HIS 906 CO 0.14 -0.32 0.08 -0.44 -1.30 0.00 0.00 177.93 176.09 3h2v h ASP 907 N 0.07 0.79 -0.22 3.26 3.32 -1.36 -0.79 116.42 121.50 3h2v h ASP 907 Ca 0.50 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 57.29 3h2v h ASP 907 Cb 0.94 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 3h2v h ASP 907 CO -0.78 0.81 -0.15 -0.08 -1.72 0.00 0.00 179.24 177.32 3h2v h GLU 908 N 0.80 0.63 0.00 3.56 4.57 -0.97 -3.20 114.58 119.97 3h2v h GLU 908 Ca 0.17 -0.21 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 3h2v h GLU 908 Cb 0.36 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.90 3h2v h GLU 908 CO 0.01 0.76 -0.65 0.00 -1.18 0.00 0.00 179.01 177.95 3h2v h ALA 909 N 1.26 0.69 -0.00 2.92 0.00 -1.24 -3.19 119.26 119.71 3h2v h ALA 909 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3h2v h ALA 909 Cb 0.59 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3h2v h ALA 909 CO 0.04 0.09 -0.03 2.89 0.00 0.00 0.00 179.25 182.23 3h2v n ARG 910 N -2.87 0.61 0.27 0.00 1.85 -0.32 -2.72 116.66 113.48 3h2v n ARG 910 Ca 0.01 -0.08 0.17 0.00 -1.00 0.00 0.00 57.85 56.94 3h2v n ARG 910 Cb 0.57 -1.50 0.68 0.00 -1.05 0.00 0.00 32.46 31.16 3h2v n ARG 910 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 3h2v h LYS 911 N 0.20 0.00 -5.95 2.89 1.57 -1.55 -3.44 116.57 110.29 3h2v h LYS 911 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 3h2v h LYS 911 Cb 0.27 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.41 3h2v h LYS 911 CO 0.00 0.03 -0.77 -1.58 -0.57 0.00 0.00 179.45 176.55 3h2v s TRP 912 N -3.69 1.90 0.26 -1.35 0.52 -1.10 -1.86 118.94 113.62 3h2v s TRP 912 Ca 0.01 -0.46 -0.30 0.00 0.02 0.00 0.00 56.10 55.37 3h2v s TRP 912 Cb 0.09 -0.91 -0.09 0.00 -1.15 0.00 0.00 33.47 31.40 3h2v s TRP 912 CO 0.55 0.40 1.05 0.45 0.02 0.00 0.00 176.95 179.42 3h2v s SER 913 N -2.91 7.39 0.19 2.95 0.15 -0.40 -4.76 113.70 116.31 3h2v s SER 913 Ca 0.19 2.16 0.06 0.00 0.70 0.00 0.00 55.95 59.07 3h2v s SER 913 Cb -0.05 -2.62 0.05 0.00 -1.71 0.00 0.00 66.02 61.69 3h2v s SER 913 CO 0.08 -0.04 1.42 0.28 1.20 0.00 0.00 173.24 176.18 3h2v h SER 914 N 3.95 0.11 -1.07 5.45 0.02 -1.90 -3.43 113.55 116.68 3h2v h SER 914 Ca -0.46 -0.09 -0.72 0.00 -0.84 0.00 0.00 61.79 59.68 3h2v h SER 914 Cb 1.21 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 3h2v h SER 914 CO 0.67 0.89 1.19 1.17 -1.14 0.00 0.00 176.83 179.61 3h2v n LYS 915 N -3.62 0.89 -1.06 3.45 0.00 -1.26 -1.08 118.16 115.48 3h2v n LYS 915 Ca -0.02 0.28 -0.02 0.00 0.00 0.00 0.00 58.31 58.55 3h2v n LYS 915 Cb 0.78 -2.13 -0.01 0.00 0.00 0.00 0.00 35.03 33.67 3h2v n LYS 915 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3h2v n GLY 916 N 5.76 0.52 2.53 3.14 0.00 -1.26 -4.65 105.19 111.23 3h2v n GLY 916 Ca 0.38 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3h2v n GLY 916 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3h2v s ASN 917 N -2.31 3.17 0.52 1.61 3.84 -0.24 -1.07 114.94 120.47 3h2v s ASN 917 Ca 0.00 -2.24 0.31 0.00 0.21 0.00 0.00 52.86 51.14 3h2v s ASN 917 Cb 0.00 -0.55 1.25 0.00 -0.55 0.00 0.00 41.25 41.40 3h2v s ASN 917 CO 0.00 -0.31 1.95 0.44 -2.79 0.00 0.00 177.10 176.39 3h2v h ASP 918 N 7.03 0.00 -0.37 -4.21 3.32 -1.94 -2.30 116.42 117.95 3h2v h ASP 918 Ca 0.03 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3h2v h ASP 918 Cb 0.96 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 3h2v h ASP 918 CO 0.32 0.06 0.16 0.40 -1.72 0.00 0.00 179.24 178.46 3h2v h ILE 919 N 0.00 1.18 -0.25 0.35 2.04 -1.92 -0.36 117.51 118.55 3h2v h ILE 919 Ca -0.00 -0.54 -0.12 0.00 1.00 0.00 0.00 64.86 65.20 3h2v h ILE 919 Cb 0.57 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 3h2v h ILE 919 CO 0.01 0.20 -0.34 0.40 0.00 0.00 0.00 178.15 178.41 3h2v h ILE 920 N 0.45 1.29 -0.52 -0.67 1.08 -1.80 -0.29 117.51 117.06 3h2v h ILE 920 Ca 0.12 -1.46 -0.09 0.00 -0.39 0.00 0.00 64.86 63.04 3h2v h ILE 920 Cb 0.16 1.47 -0.02 0.00 -3.07 0.00 0.00 36.82 35.36 3h2v h ILE 920 CO -0.01 0.46 -0.02 0.00 -0.69 0.00 0.00 178.15 177.89 3h2v h ALA 921 N 1.17 0.70 -0.14 1.87 0.00 -1.17 -1.40 119.26 120.30 3h2v h ALA 921 Ca 0.05 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3h2v h ALA 921 Cb 0.82 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3h2v h ALA 921 CO 0.07 0.53 -0.09 0.00 0.00 0.00 0.00 179.25 179.76 3h2v h ALA 922 N 0.94 0.20 -0.41 0.00 0.00 -0.88 -2.03 119.26 117.07 3h2v h ALA 922 Ca 0.14 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.85 3h2v h ALA 922 Cb 0.55 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 3h2v h ALA 922 CO 0.03 0.01 0.02 0.00 0.00 0.00 0.00 179.25 179.31 3h2v h ALA 923 N 0.64 0.40 -0.94 0.00 0.00 -0.98 0.23 119.26 118.61 3h2v h ALA 923 Ca 0.03 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3h2v h ALA 923 Cb 0.57 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 3h2v h ALA 923 CO 0.02 -0.38 0.61 0.87 0.00 0.00 0.00 179.25 180.38 3h2v h LYS 924 N 0.13 1.13 0.41 0.00 1.57 -1.18 -1.66 116.57 116.96 3h2v h LYS 924 Ca 0.20 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3h2v h LYS 924 Cb 0.28 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3h2v h LYS 924 CO -0.32 0.75 -0.19 0.00 -0.57 0.00 0.00 179.45 179.11 3h2v h ARG 925 N 1.16 -0.52 -0.39 3.15 3.08 -0.32 -2.03 114.38 118.51 3h2v h ARG 925 Ca 0.38 0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.54 3h2v h ARG 925 Cb 0.04 0.12 -0.09 0.00 0.08 0.00 0.00 29.97 30.12 3h2v h ARG 925 CO -0.13 -0.27 -0.37 0.52 -1.07 0.00 0.00 179.97 178.65 3h2v h MET 926 N -0.69 -0.28 -0.90 0.04 2.86 -0.32 0.16 114.93 115.81 3h2v h MET 926 Ca -0.06 0.02 0.19 0.00 -2.06 0.00 0.00 59.70 57.80 3h2v h MET 926 Cb 0.49 0.06 -0.11 0.00 0.06 0.00 0.00 31.60 32.11 3h2v h MET 926 CO 0.09 -0.19 0.44 0.00 1.06 0.00 0.00 176.91 178.32 3h2v h ALA 927 N 0.61 1.43 -0.13 6.32 0.00 -1.17 0.39 119.26 126.71 3h2v h ALA 927 Ca 0.16 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 3h2v h ALA 927 Cb 0.56 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3h2v h ALA 927 CO -0.55 -0.22 -0.31 -0.07 0.00 0.00 0.00 179.25 178.11 3h2v h LEU 928 N 0.53 0.26 0.00 0.00 -0.00 -0.45 -1.34 115.31 114.31 3h2v h LEU 928 Ca 0.53 -0.09 -0.10 0.00 -0.00 0.00 0.00 57.88 58.23 3h2v h LEU 928 Cb 0.91 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.49 3h2v h LEU 928 CO -0.45 0.56 -0.55 -0.07 -0.00 0.00 0.00 178.44 177.93 3h2v h LEU 929 N 0.23 0.00 -0.30 1.67 3.38 0.13 -2.76 115.31 117.64 3h2v h LEU 929 Ca 0.03 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 3h2v h LEU 929 Cb 0.66 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 3h2v h LEU 929 CO 0.05 0.44 -0.31 -0.03 0.09 0.00 0.00 178.44 178.68 3h2v h MET 930 N 0.00 0.74 -0.21 1.13 4.05 0.05 -1.58 114.93 119.11 3h2v h MET 930 Ca -0.02 -0.39 0.02 0.00 -0.28 0.00 0.00 59.70 59.03 3h2v h MET 930 Cb 1.35 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 32.15 3h2v h MET 930 CO 0.05 1.02 0.08 0.00 0.23 0.00 0.00 176.91 178.29 3h2v h ALA 931 N 0.71 0.24 -0.46 0.39 0.00 -1.32 -1.56 119.26 117.26 3h2v h ALA 931 Ca 0.05 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.05 3h2v h ALA 931 Cb 0.88 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3h2v h ALA 931 CO 0.08 -0.34 0.31 1.49 0.00 0.00 0.00 179.25 180.78 3h2v h GLU 932 N 0.18 0.29 -0.31 0.00 4.81 -1.28 -2.23 114.58 116.04 3h2v h GLU 932 Ca 0.09 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.22 3h2v h GLU 932 Cb 0.06 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3h2v h GLU 932 CO -0.09 0.19 -0.15 1.98 -0.73 0.00 0.00 179.01 180.22 3h2v h MET 933 N 0.30 0.64 -0.63 1.92 4.05 -0.35 0.32 114.93 121.19 3h2v h MET 933 Ca 0.21 -0.28 0.02 0.00 -0.28 0.00 0.00 59.70 59.37 3h2v h MET 933 Cb 0.43 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.18 3h2v h MET 933 CO -0.05 0.86 0.41 0.66 0.23 0.00 0.00 176.91 179.03 3h2v h SER 934 N 0.40 0.68 0.63 1.39 4.64 -0.74 0.20 113.55 120.74 3h2v h SER 934 Ca 0.07 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.34 3h2v h SER 934 Cb 0.67 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 62.60 3h2v h SER 934 CO 0.04 0.48 -0.30 0.03 -0.87 0.00 0.00 176.83 176.21 3h2v h ARG 935 N 0.79 -0.81 -0.65 4.77 3.08 -1.30 -3.05 114.38 117.21 3h2v h ARG 935 Ca 0.24 0.06 0.19 0.00 0.07 0.00 0.00 59.98 60.53 3h2v h ARG 935 Cb -0.01 0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 3h2v h ARG 935 CO -0.06 -0.50 0.47 -0.07 -1.07 0.00 0.00 179.97 178.74 3h2v h LEU 936 N -1.00 0.00 0.00 3.04 3.38 -0.17 -1.57 115.31 118.99 3h2v h LEU 936 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3h2v h LEU 936 Cb 0.69 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3h2v h LEU 936 CO 0.14 0.00 0.00 0.55 0.09 0.00 0.00 178.44 179.22 3h2v n VAL 937 N -4.34 1.39 -0.11 1.22 3.14 0.63 -2.52 118.33 117.73 3h2v n VAL 937 Ca 0.13 0.35 -0.18 0.00 -2.96 0.00 0.00 64.34 61.67 3h2v n VAL 937 Cb 0.72 -1.21 -0.10 0.00 -1.06 0.00 0.00 33.84 32.20 3h2v n VAL 937 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3h2v n ARG 938 N -1.49 0.54 0.00 1.45 5.12 -0.60 -4.81 116.66 116.87 3h2v n ARG 938 Ca 0.02 0.16 0.00 0.00 -1.93 0.00 0.00 57.85 56.10 3h2v n ARG 938 Cb 0.10 -1.41 0.00 0.00 -1.16 0.00 0.00 32.46 29.98 3h2v n ARG 938 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3h2v n GLY 939 N 2.16 0.00 5.62 -0.13 0.00 -1.05 -4.74 105.19 107.05 3h2v n GLY 939 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3h2v n GLY 939 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h2v n GLY 940 N -0.00 1.62 3.37 -0.02 0.00 -1.26 -4.61 105.19 104.29 3h2v n GLY 940 Ca 0.00 0.31 -0.10 0.00 0.00 0.00 0.00 46.02 46.23 3h2v n GLY 940 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h2v s SER 941 N -4.00 -0.12 0.00 1.61 0.15 -1.26 -3.82 113.70 106.26 3h2v s SER 941 Ca 0.00 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.09 3h2v s SER 941 Cb 0.00 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 3h2v s SER 941 CO 0.00 -0.91 0.00 0.61 1.20 0.00 0.00 173.24 174.14 3h2v n GLY 942 N -0.23 2.26 0.12 9.45 0.00 -1.26 -4.82 105.19 110.70 3h2v n GLY 942 Ca -0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.03 3h2v n GLY 942 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3h2v h THR 943 N 0.00 0.00 0.18 2.61 1.35 -1.84 -3.34 112.91 111.87 3h2v h THR 943 Ca 0.00 -0.66 -0.00 0.00 -0.55 0.00 0.00 66.41 65.20 3h2v h THR 943 Cb 0.00 1.47 -0.02 0.00 -1.73 0.00 0.00 68.15 67.88 3h2v h THR 943 CO 0.00 0.00 -0.26 0.07 -0.25 0.00 0.00 175.52 175.08 3h2v h LYS 944 N 0.00 -0.44 -0.19 4.72 2.10 -1.87 0.88 116.57 121.76 3h2v h LYS 944 Ca 0.00 0.03 0.03 0.00 -2.00 0.00 0.00 60.65 58.71 3h2v h LYS 944 Cb 0.83 0.10 -0.03 0.00 -0.90 0.00 0.00 32.23 32.23 3h2v h LYS 944 CO 0.00 -0.30 -0.00 0.00 -2.00 0.00 0.00 179.45 177.15 3h2v h ARG 945 N -0.46 0.05 0.22 0.07 3.08 -1.96 -2.06 114.38 113.33 3h2v h ARG 945 Ca -0.02 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3h2v h ARG 945 Cb 0.42 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 3h2v h ARG 945 CO -0.07 0.04 -0.22 0.00 -1.07 0.00 0.00 179.97 178.65 3h2v h ALA 946 N 1.16 -0.44 -0.98 0.04 0.00 -1.64 -0.82 119.26 116.58 3h2v h ALA 946 Ca 0.09 -0.07 0.26 0.00 0.00 0.00 0.00 54.91 55.19 3h2v h ALA 946 Cb 0.11 0.31 -0.13 0.00 0.00 0.00 0.00 17.79 18.08 3h2v h ALA 946 CO -0.15 -0.78 0.53 1.25 0.00 0.00 0.00 179.25 180.11 3h2v h LEU 947 N -0.47 0.54 0.41 0.00 5.85 0.10 0.26 115.31 122.01 3h2v h LEU 947 Ca -0.00 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 3h2v h LEU 947 Cb 0.44 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3h2v h LEU 947 CO -0.05 0.02 -0.20 0.40 -0.34 0.00 0.00 178.44 178.27 3h2v h ILE 948 N 0.48 0.46 -0.63 4.05 2.04 -0.93 -2.63 117.51 120.35 3h2v h ILE 948 Ca 0.64 -0.56 0.12 0.00 1.00 0.00 0.00 64.86 66.07 3h2v h ILE 948 Cb 1.28 0.67 -0.09 0.00 -0.74 0.00 0.00 36.82 37.94 3h2v h ILE 948 CO -0.52 0.08 0.13 -0.61 0.00 0.00 0.00 178.15 177.23 3h2v h GLN 949 N -0.93 0.24 -0.57 2.37 5.75 0.13 -1.50 115.11 120.61 3h2v h GLN 949 Ca -0.06 -0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.50 3h2v h GLN 949 Cb 0.56 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 28.99 3h2v h GLN 949 CO 0.09 0.16 0.26 0.00 -2.65 0.00 0.00 178.83 176.69 3h2v h ALA 951 N 1.35 0.94 -0.35 0.00 0.00 -0.97 -1.28 119.26 118.95 3h2v h ALA 951 Ca 0.27 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3h2v h ALA 951 Cb 0.25 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3h2v h ALA 951 CO -0.23 0.62 0.18 0.87 0.00 0.00 0.00 179.25 180.69 3h2v h LYS 952 N 0.71 0.50 -0.26 0.00 1.57 -0.43 -1.84 116.57 116.82 3h2v h LYS 952 Ca 0.11 -0.07 0.06 0.00 -1.87 0.00 0.00 60.65 58.89 3h2v h LYS 952 Cb 0.65 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.80 3h2v h LYS 952 CO 0.05 0.43 -0.14 -0.44 -0.57 0.00 0.00 179.45 178.78 3h2v h ASP 953 N 0.44 -0.46 -0.19 0.86 5.19 -0.03 -1.07 116.42 121.15 3h2v h ASP 953 Ca 0.12 0.11 0.05 0.00 -0.62 0.00 0.00 57.03 56.69 3h2v h ASP 953 Cb 0.09 0.25 -0.05 0.00 0.18 0.00 0.00 39.33 39.79 3h2v h ASP 953 CO -0.02 -0.18 -0.16 0.40 -3.12 0.00 0.00 179.24 176.17 3h2v h ILE 954 N -0.11 0.57 -0.49 0.35 2.04 -0.97 -0.47 117.51 118.43 3h2v h ILE 954 Ca 0.14 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.05 3h2v h ILE 954 Cb 0.32 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 3h2v h ILE 954 CO -0.33 0.00 0.33 0.00 0.00 0.00 0.00 178.15 178.14 3h2v h ALA 955 N 0.95 1.87 -0.11 1.87 0.00 -0.80 0.29 119.26 123.32 3h2v h ALA 955 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3h2v h ALA 955 Cb 0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3h2v h ALA 955 CO -0.29 0.06 0.07 -0.22 0.00 0.00 0.00 179.25 178.86 3h2v h LYS 956 N 0.46 0.14 -0.91 0.00 3.64 0.18 -0.87 116.57 119.21 3h2v h LYS 956 Ca 0.21 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 3h2v h LYS 956 Cb 0.23 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.97 3h2v h LYS 956 CO -0.05 0.12 0.60 0.00 -2.27 0.00 0.00 179.45 177.84 3h2v h ALA 957 N 1.01 1.19 -0.22 5.00 0.00 -0.29 -2.60 119.26 123.36 3h2v h ALA 957 Ca 0.04 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3h2v h ALA 957 Cb 0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3h2v h ALA 957 CO -0.01 0.48 -0.08 0.77 0.00 0.00 0.00 179.25 180.41 3h2v h SER 958 N 1.17 0.45 -1.06 0.00 0.02 -0.90 -2.20 113.55 111.02 3h2v h SER 958 Ca 0.36 -0.39 0.28 0.00 -0.84 0.00 0.00 61.79 61.19 3h2v h SER 958 Cb -0.03 -0.12 -0.08 0.00 0.14 0.00 0.00 62.40 62.30 3h2v h SER 958 CO -0.11 0.74 0.70 0.44 -1.14 0.00 0.00 176.83 177.46 3h2v h ASP 959 N 0.15 0.34 0.93 3.07 3.32 -0.80 0.21 116.42 123.65 3h2v h ASP 959 Ca 0.05 0.07 -0.22 0.00 0.02 0.00 0.00 57.03 56.94 3h2v h ASP 959 Cb 0.56 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 3h2v h ASP 959 CO 0.03 0.06 -1.07 -0.33 -1.72 0.00 0.00 179.24 176.21 3h2v h GLU 960 N 0.30 0.02 -0.26 3.56 3.07 -1.23 -1.08 114.58 118.96 3h2v h GLU 960 Ca 0.58 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 59.37 3h2v h GLU 960 Cb 1.66 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.58 3h2v h GLU 960 CO -0.23 0.98 0.01 0.28 -1.40 0.00 0.00 179.01 178.65 3h2v h VAL 961 N 0.01 1.25 0.72 3.13 2.07 -0.16 -2.16 116.25 121.11 3h2v h VAL 961 Ca -0.04 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 3h2v h VAL 961 Cb 1.80 1.32 0.01 0.00 -1.52 0.00 0.00 31.29 32.91 3h2v h VAL 961 CO 0.13 0.28 -0.35 0.74 0.02 0.00 0.00 177.57 178.40 3h2v h THR 962 N 0.24 0.26 -0.76 2.57 2.02 -0.75 0.17 112.91 116.66 3h2v h THR 962 Ca 0.07 -0.07 0.18 0.00 0.77 0.00 0.00 66.41 67.36 3h2v h THR 962 Cb 0.40 0.28 -0.12 0.00 -1.74 0.00 0.00 68.15 66.97 3h2v h THR 962 CO 0.01 0.01 0.11 -0.09 0.37 0.00 0.00 175.52 175.93 3h2v h ARG 963 N -1.02 0.18 -0.01 6.66 2.43 -1.19 0.05 114.38 121.47 3h2v h ARG 963 Ca -0.10 -0.01 -0.25 0.00 -0.81 0.00 0.00 59.98 58.81 3h2v h ARG 963 Cb 0.76 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.28 3h2v h ARG 963 CO 0.16 0.12 -0.98 -0.07 -1.51 0.00 0.00 179.97 177.69 3h2v h LEU 964 N 0.18 0.79 -1.59 3.80 3.38 -1.32 -2.76 115.31 117.79 3h2v h LEU 964 Ca 0.43 -0.62 0.07 0.00 0.09 0.00 0.00 57.88 57.86 3h2v h LEU 964 Cb 0.78 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 3h2v h LEU 964 CO -0.60 1.42 0.38 0.00 0.09 0.00 0.00 178.44 179.73 3h2v h ALA 965 N 0.54 1.89 -0.16 1.53 0.00 0.29 -1.59 119.26 121.77 3h2v h ALA 965 Ca -0.11 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.59 3h2v h ALA 965 Cb 1.63 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3h2v h ALA 965 CO 0.19 0.00 -0.69 0.87 0.00 0.00 0.00 179.25 179.62 3h2v h LYS 966 N 0.50 0.66 -0.13 0.00 1.57 -0.89 -1.58 116.57 116.70 3h2v h LYS 966 Ca 0.25 -0.50 -0.06 0.00 -1.87 0.00 0.00 60.65 58.48 3h2v h LYS 966 Cb 0.35 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3h2v h LYS 966 CO -0.07 1.12 -0.19 0.93 -0.57 0.00 0.00 179.45 180.66 3h2v h GLU 967 N 0.47 0.22 -0.23 3.15 4.39 -1.05 0.12 114.58 121.65 3h2v h GLU 967 Ca -0.03 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.55 3h2v h GLU 967 Cb 1.29 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 3h2v h GLU 967 CO 0.14 0.41 -0.13 0.28 -1.16 0.00 0.00 179.01 178.55 3h2v h VAL 968 N 0.21 1.31 -0.33 3.13 2.07 -1.10 -2.58 116.25 118.94 3h2v h VAL 968 Ca 0.04 -1.22 -0.06 0.00 0.82 0.00 0.00 66.70 66.28 3h2v h VAL 968 Cb 0.46 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 3h2v h VAL 968 CO 0.03 0.37 -0.05 0.00 0.02 0.00 0.00 177.57 177.95 3h2v h ALA 969 N 0.70 1.30 0.00 1.67 0.00 -0.88 -0.81 119.26 121.24 3h2v h ALA 969 Ca 0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3h2v h ALA 969 Cb 0.64 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3h2v h ALA 969 CO 0.04 0.47 -0.02 -0.22 0.00 0.00 0.00 179.25 179.52 3h2v h LYS 970 N 0.51 0.00 0.00 0.00 3.64 -0.56 -2.71 116.57 117.45 3h2v h LYS 970 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3h2v h LYS 970 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3h2v h LYS 970 CO 0.02 0.02 -1.68 1.04 -2.27 0.00 0.00 179.45 176.58 3h2v n GLN 971 N -3.13 0.63 -2.07 1.90 3.00 -0.76 -4.96 117.38 111.99 3h2v n GLN 971 Ca -0.00 -0.10 -0.41 0.00 -0.01 0.00 0.00 57.00 56.48 3h2v n GLN 971 Cb 0.27 -1.61 -0.02 0.00 0.00 0.00 0.00 30.24 28.88 3h2v n GLN 971 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3h2v n THR 973 N 0.75 1.37 -3.83 0.00 -2.24 -1.13 -4.85 114.28 104.36 3h2v n THR 973 Ca 0.00 -1.21 -0.35 0.00 -2.27 0.00 0.00 64.05 60.22 3h2v n THR 973 Cb 0.41 0.30 -0.12 0.00 -2.10 0.00 0.00 70.33 68.82 3h2v n THR 973 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3h2v s ASP 974 N -1.19 5.14 0.30 3.42 -1.08 -1.26 -4.97 116.67 117.03 3h2v s ASP 974 Ca 0.32 -1.88 0.06 0.00 -0.52 0.00 0.00 52.55 50.53 3h2v s ASP 974 Cb 0.20 -1.79 0.81 0.00 -1.46 0.00 0.00 42.92 40.68 3h2v s ASP 974 CO 0.17 -0.47 1.70 0.50 0.52 0.00 0.00 175.17 177.58 3h2v h LYS 975 N 8.00 0.41 0.31 4.34 3.64 -1.97 0.71 116.57 132.00 3h2v h LYS 975 Ca -0.14 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3h2v h LYS 975 Cb 1.05 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.75 3h2v h LYS 975 CO 0.65 0.27 -0.37 -0.09 -2.27 0.00 0.00 179.45 177.63 3h2v h ARG 976 N 0.42 -0.70 0.01 1.90 9.65 -2.00 -2.10 114.38 121.55 3h2v h ARG 976 Ca 0.60 0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 59.53 3h2v h ARG 976 Cb 1.18 0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.92 3h2v h ARG 976 CO -0.54 -0.47 -0.00 0.82 2.80 0.00 0.00 179.97 182.58 3h2v h ILE 977 N -0.73 1.44 -0.81 1.20 1.08 -1.58 -2.76 117.51 115.36 3h2v h ILE 977 Ca -0.01 -1.36 0.23 0.00 -0.39 0.00 0.00 64.86 63.33 3h2v h ILE 977 Cb 0.68 2.37 -0.03 0.00 -3.07 0.00 0.00 36.82 36.76 3h2v h ILE 977 CO -0.11 0.35 0.71 -0.09 -0.69 0.00 0.00 178.15 178.33 3h2v h ARG 978 N -0.60 0.00 0.01 2.37 2.43 0.33 -0.09 114.38 118.83 3h2v h ARG 978 Ca -0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3h2v h ARG 978 Cb 0.58 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 3h2v h ARG 978 CO 0.00 0.00 -0.00 1.15 -1.51 0.00 0.00 179.97 179.61 3h2v h THR 979 N 0.00 1.57 -0.80 0.20 2.02 -1.30 -2.85 112.91 111.75 3h2v h THR 979 Ca 0.38 -2.09 0.01 0.00 0.77 0.00 0.00 66.41 65.48 3h2v h THR 979 Cb 1.80 2.93 -0.04 0.00 -1.74 0.00 0.00 68.15 71.10 3h2v h THR 979 CO -0.00 0.52 0.53 0.78 0.37 0.00 0.00 175.52 177.71 3h2v h ASN 980 N -0.95 0.91 -0.02 4.18 -0.26 -0.92 -0.76 115.58 117.75 3h2v h ASN 980 Ca -0.00 -0.02 0.03 0.00 -0.56 0.00 0.00 56.30 55.75 3h2v h ASN 980 Cb 0.85 -0.22 -0.04 0.00 -1.06 0.00 0.00 38.32 37.85 3h2v h ASN 980 CO 0.00 0.65 -0.17 0.25 -1.06 0.00 0.00 177.43 177.11 3h2v h LEU 981 N 1.07 -0.49 -0.88 1.61 5.85 -1.17 -2.11 115.31 119.19 3h2v h LEU 981 Ca 0.30 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 59.06 3h2v h LEU 981 Cb -0.11 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3h2v h LEU 981 CO -0.07 -0.23 0.36 -0.07 -0.34 0.00 0.00 178.44 178.10 3h2v h LEU 982 N -0.26 1.07 0.21 2.25 3.38 -1.20 -2.48 115.31 118.28 3h2v h LEU 982 Ca 0.06 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3h2v h LEU 982 Cb 0.34 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3h2v h LEU 982 CO -0.18 0.92 -0.44 -0.61 0.09 0.00 0.00 178.44 178.22 3h2v h GLN 983 N 1.15 -0.71 -0.00 1.13 4.15 -0.78 -2.35 115.11 117.70 3h2v h GLN 983 Ca 0.27 0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.67 3h2v h GLN 983 Cb 0.15 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 3h2v h GLN 983 CO -0.03 -0.47 -0.36 -0.39 -1.93 0.00 0.00 178.83 175.65 3h2v h VAL 984 N -0.73 1.26 -0.05 2.39 -1.51 -1.31 -3.01 116.25 113.27 3h2v h VAL 984 Ca -0.00 -1.24 0.00 0.00 -1.23 0.00 0.00 66.70 64.23 3h2v h VAL 984 Cb 0.72 1.67 0.00 0.00 -2.13 0.00 0.00 31.29 31.55 3h2v h VAL 984 CO -0.20 0.36 0.00 0.00 -1.23 0.00 0.00 177.57 176.50 3h2v h GLU 986 N 2.49 0.36 0.00 0.00 4.39 -1.28 -3.29 114.58 117.25 3h2v h GLU 986 Ca 0.00 -0.57 -0.02 0.00 0.34 0.00 0.00 59.36 59.11 3h2v h GLU 986 Cb 0.53 0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.38 3h2v h GLU 986 CO 0.00 1.26 -0.12 0.00 -1.16 0.00 0.00 179.01 178.99 3h2v h ARG 987 N -0.25 0.00 -0.73 2.33 3.08 -1.71 -3.32 114.38 113.78 3h2v h ARG 987 Ca -0.15 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.01 3h2v h ARG 987 Cb 1.67 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.60 3h2v h ARG 987 CO 0.17 0.12 -0.41 0.82 -1.07 0.00 0.00 179.97 179.59 3h2v h ILE 988 N 0.00 0.08 -0.72 2.04 2.04 -1.73 0.36 117.51 119.57 3h2v h ILE 988 Ca -0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 3h2v h ILE 988 Cb 0.23 0.08 -0.06 0.00 -0.74 0.00 0.00 36.82 36.33 3h2v h ILE 988 CO 0.02 0.00 0.41 -0.65 0.00 0.00 0.00 178.15 177.93 3h2v h PRO 989 N -0.13 0.73 0.39 2.37 0.11 -1.81 0.15 132.00 133.80 3h2v h PRO 989 Ca 0.24 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.28 3h2v h PRO 989 Cb 0.56 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.51 3h2v h PRO 989 CO -0.79 0.48 -0.19 1.15 -0.21 0.00 0.00 178.00 178.44 3h2v h THR 990 N 0.75 0.61 -0.53 -1.15 2.02 -1.31 -0.94 112.91 112.35 3h2v h THR 990 Ca 0.32 -0.30 0.06 0.00 0.77 0.00 0.00 66.41 67.26 3h2v h THR 990 Cb 0.20 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.32 3h2v h THR 990 CO -0.19 0.06 0.25 0.40 0.37 0.00 0.00 175.52 176.41 3h2v h ILE 991 N -0.70 0.91 0.00 3.11 2.04 -0.74 -0.16 117.51 121.97 3h2v h ILE 991 Ca -0.05 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 3h2v h ILE 991 Cb 0.49 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3h2v h ILE 991 CO 0.09 0.09 -0.12 0.77 0.00 0.00 0.00 178.15 178.97 3h2v h SER 992 N 0.48 0.00 0.06 1.72 4.64 -0.56 -1.26 113.55 118.63 3h2v h SER 992 Ca 0.24 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.34 3h2v h SER 992 Cb 0.19 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.30 3h2v h SER 992 CO -0.19 0.12 -0.91 0.74 -0.87 0.00 0.00 176.83 175.72 3h2v h THR 993 N 0.00 1.37 -0.89 2.95 2.02 0.27 -2.70 112.91 115.93 3h2v h THR 993 Ca -0.00 -2.30 0.09 0.00 0.77 0.00 0.00 66.41 64.98 3h2v h THR 993 Cb 0.26 2.69 -0.06 0.00 -1.74 0.00 0.00 68.15 69.30 3h2v h THR 993 CO 0.02 0.68 0.57 1.56 0.37 0.00 0.00 175.52 178.72 3h2v h GLN 994 N 0.05 0.86 -0.49 6.66 4.20 -0.72 -1.46 115.11 124.21 3h2v h GLN 994 Ca -0.13 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.49 3h2v h GLN 994 Cb 1.62 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 29.18 3h2v h GLN 994 CO 0.18 0.57 0.15 1.25 -0.67 0.00 0.00 178.83 180.30 3h2v h LEU 995 N 0.89 0.67 -0.38 1.46 5.85 -1.09 0.17 115.31 122.88 3h2v h LEU 995 Ca 0.41 -0.10 -0.18 0.00 0.84 0.00 0.00 57.88 58.85 3h2v h LEU 995 Cb 0.39 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 3h2v h LEU 995 CO -0.17 0.65 -0.61 0.11 -0.34 0.00 0.00 178.44 178.07 3h2v h LYS 996 N 0.71 0.67 -0.11 1.25 1.57 -0.97 -2.02 116.57 117.67 3h2v h LYS 996 Ca 0.16 -0.46 -0.04 0.00 -1.87 0.00 0.00 60.65 58.45 3h2v h LYS 996 Cb 0.22 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 3h2v h LYS 996 CO -0.01 1.08 -0.08 0.82 -0.57 0.00 0.00 179.45 180.69 3h2v h ILE 997 N 0.50 1.33 -0.21 1.86 2.04 -1.07 -2.18 117.51 119.79 3h2v h ILE 997 Ca -0.01 -1.16 -0.05 0.00 1.00 0.00 0.00 64.86 64.64 3h2v h ILE 997 Cb 1.19 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 3h2v h ILE 997 CO 0.12 0.33 -0.11 -0.07 0.00 0.00 0.00 178.15 178.42 3h2v h LEU 998 N -0.12 0.32 -0.48 1.44 3.38 -0.70 -2.15 115.31 117.01 3h2v h LEU 998 Ca 0.02 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 3h2v h LEU 998 Cb 0.56 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3h2v h LEU 998 CO 0.02 0.47 -0.58 0.77 0.09 0.00 0.00 178.44 179.21 3h2v h SER 999 N 0.32 0.00 -0.02 -0.43 4.64 -1.29 -2.47 113.55 114.29 3h2v h SER 999 Ca 0.06 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3h2v h SER 999 Cb 0.40 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3h2v h SER 999 CO 0.02 0.58 -0.00 0.74 -0.87 0.00 0.00 176.83 177.30 3h2v h THR 1000N 0.00 1.25 -0.74 2.95 2.02 -0.72 -0.76 112.91 116.91 3h2v h THR 1000Ca -0.01 -0.75 0.11 0.00 0.77 0.00 0.00 66.41 66.53 3h2v h THR 1000Cb 1.23 1.71 -0.08 0.00 -1.74 0.00 0.00 68.15 69.27 3h2v h THR 1000CO 0.07 0.20 0.37 -0.37 0.37 0.00 0.00 175.52 176.16 3h2v h VAL 1001N -0.26 0.81 -0.50 3.16 -1.51 -1.50 -0.83 116.25 115.63 3h2v h VAL 1001Ca 0.01 -0.21 -0.06 0.00 -1.23 0.00 0.00 66.70 65.21 3h2v h VAL 1001Cb 0.32 0.16 -0.02 0.00 -2.13 0.00 0.00 31.29 29.62 3h2v h VAL 1001CO 0.00 0.11 0.05 0.50 -1.23 0.00 0.00 177.57 177.00 3h2v h LYS 1002N 0.60 0.81 -0.26 5.19 1.63 -1.23 -1.95 116.57 121.35 3h2v h LYS 1002Ca 0.38 -0.20 -0.03 0.00 -0.85 0.00 0.00 60.65 59.95 3h2v h LYS 1002Cb 0.44 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.95 3h2v h LYS 1002CO -0.30 0.78 0.05 0.00 -3.45 0.00 0.00 179.45 176.53 3h2v h ALA 1003N 1.29 0.35 0.00 5.00 0.00 0.27 -1.93 119.26 124.24 3h2v h ALA 1003Ca 0.16 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3h2v h ALA 1003Cb 0.39 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3h2v h ALA 1003CO 0.01 0.02 -0.49 1.79 0.00 0.00 0.00 179.25 180.58 3h2v h THR 1004N 0.25 1.31 -0.11 0.00 1.35 -1.30 -2.63 112.91 111.78 3h2v h THR 1004Ca 0.08 -1.71 -0.11 0.00 -0.55 0.00 0.00 66.41 64.13 3h2v h THR 1004Cb 0.31 1.93 -0.01 0.00 -1.73 0.00 0.00 68.15 68.65 3h2v h THR 1004CO 0.00 0.48 -0.41 0.24 -0.25 0.00 0.00 175.52 175.59 3h2v h MET 1005N 0.00 0.25 -6.60 4.72 2.07 -1.12 -3.41 114.93 110.83 3h2v h MET 1005Ca -0.00 -0.12 -0.54 0.00 -2.07 0.00 0.00 59.70 56.97 3h2v h MET 1005Cb 0.89 -0.00 0.06 0.00 -1.87 0.00 0.00 31.60 30.68 3h2v h MET 1005CO 0.06 0.62 0.96 1.28 1.07 0.00 0.00 176.91 180.90 3h2v n LEU 1006N -4.03 3.74 0.00 1.22 4.77 -0.74 -1.65 117.00 120.31 3h2v n LEU 1006Ca -0.01 1.06 0.00 0.00 -0.03 0.00 0.00 56.01 57.03 3h2v n LEU 1006Cb 0.48 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 3h2v n LEU 1006CO 0.42 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3h2v n GLY 1007N 3.84 3.07 3.54 -0.72 0.00 -1.25 -4.98 105.19 108.69 3h2v n GLY 1007Ca 0.16 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 3h2v n GLY 1007CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h2v n ARG 1008N 0.00 0.97 -0.00 1.61 3.00 -0.66 -4.92 116.66 116.66 3h2v n ARG 1008Ca 0.00 0.35 -0.00 0.00 -0.01 0.00 0.00 57.85 58.19 3h2v n ARG 1008Cb 0.00 -1.75 -0.01 0.00 0.00 0.00 0.00 32.46 30.70 3h2v n ARG 1008CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 3h2v n THR 1009N -0.52 0.06 0.06 0.55 -2.24 -1.26 -4.67 114.28 106.26 3h2v n THR 1009Ca 0.11 -0.05 -0.10 0.00 -2.27 0.00 0.00 64.05 61.73 3h2v n THR 1009Cb 0.38 -0.49 0.01 0.00 -2.10 0.00 0.00 70.33 68.13 3h2v n THR 1009CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3h2v h ASN 1010N 0.00 0.48 -3.53 3.42 7.08 -1.98 -3.45 115.58 117.60 3h2v h ASN 1010Ca -0.03 -0.33 -0.56 0.00 -3.08 0.00 0.00 56.30 52.30 3h2v h ASN 1010Cb 0.75 -0.14 0.12 0.00 -2.08 0.00 0.00 38.32 36.96 3h2v h ASN 1010CO 0.00 1.09 0.54 -0.38 -2.08 0.00 0.00 177.43 176.60 3h2v n ILE 1011N -3.81 2.30 -1.16 6.14 -0.00 -1.26 -4.94 119.36 116.63 3h2v n ILE 1011Ca -0.05 -0.50 -0.32 0.00 -0.00 0.00 0.00 62.75 61.89 3h2v n ILE 1011Cb 0.74 -1.63 0.11 0.00 -0.00 0.00 0.00 39.64 38.86 3h2v n ILE 1011CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 3h2v s SER 1012N -0.40 4.04 0.04 4.38 0.15 -1.26 -4.91 113.70 115.75 3h2v s SER 1012Ca 0.58 2.02 -0.30 0.00 0.70 0.00 0.00 55.95 58.95 3h2v s SER 1012Cb -0.52 -2.55 -0.18 0.00 -1.71 0.00 0.00 66.02 61.07 3h2v s SER 1012CO 0.60 -2.35 1.43 0.44 1.20 0.00 0.00 173.24 174.57 3h2v h ASP 1013N -1.13 -0.67 -0.99 5.45 3.45 -1.96 -2.38 116.42 118.19 3h2v h ASP 1013Ca -0.44 -0.02 0.11 0.00 0.43 0.00 0.00 57.03 57.11 3h2v h ASP 1013Cb 1.25 0.17 -0.08 0.00 -0.56 0.00 0.00 39.33 40.11 3h2v h ASP 1013CO 0.48 -0.39 0.62 -0.33 -1.57 0.00 0.00 179.24 178.06 3h2v h GLU 1014N -0.93 0.98 -0.22 3.56 3.07 -2.00 -2.23 114.58 116.81 3h2v h GLU 1014Ca -0.08 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.72 3h2v h GLU 1014Cb 0.65 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 3h2v h GLU 1014CO 0.13 0.65 0.13 0.93 -1.40 0.00 0.00 179.01 179.45 3h2v h GLU 1015N 1.01 0.31 -0.45 2.33 5.08 -1.91 -2.52 114.58 118.42 3h2v h GLU 1015Ca 0.48 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.66 3h2v h GLU 1015Cb 0.43 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3h2v h GLU 1015CO -0.25 0.27 -0.28 0.66 -1.00 0.00 0.00 179.01 178.42 3h2v h SER 1016N 0.26 1.03 1.25 1.42 4.64 -0.90 -1.20 113.55 120.04 3h2v h SER 1016Ca 0.08 -0.42 -0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3h2v h SER 1016Cb 0.05 -0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 61.86 3h2v h SER 1016CO -0.01 1.22 -0.02 -0.08 -0.87 0.00 0.00 176.83 177.07 3h2v h GLU 1017N 0.84 0.00 0.08 4.77 4.57 -1.44 -2.59 114.58 120.81 3h2v h GLU 1017Ca 0.09 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 58.03 3h2v h GLU 1017Cb 0.86 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.45 3h2v h GLU 1017CO 0.08 0.02 -1.14 0.37 -1.18 0.00 0.00 179.01 177.16 3h2v h GLN 1018N 0.00 0.19 -0.31 1.92 5.75 -1.20 -2.20 115.11 119.27 3h2v h GLN 1018Ca -0.00 -0.31 -0.02 0.00 -0.15 0.00 0.00 58.65 58.17 3h2v h GLN 1018Cb 0.64 0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.30 3h2v h GLN 1018CO 0.00 1.13 0.12 0.00 -2.65 0.00 0.00 178.83 177.44 3h2v h ALA 1019N 0.73 0.41 -0.02 3.38 0.00 -0.85 -2.48 119.26 120.43 3h2v h ALA 1019Ca -0.09 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 3h2v h ALA 1019Cb 1.87 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 3h2v h ALA 1019CO 0.18 0.02 -0.23 1.15 0.00 0.00 0.00 179.25 180.36 3h2v h THR 1020N 0.36 1.18 0.00 0.00 2.02 -1.49 -2.43 112.91 112.54 3h2v h THR 1020Ca 0.10 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.45 3h2v h THR 1020Cb 0.20 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 3h2v h THR 1020CO -0.01 0.24 -0.13 -0.33 0.37 0.00 0.00 175.52 175.67 3h2v h GLU 1021N 0.03 0.00 0.00 6.66 5.08 -1.06 -2.48 114.58 122.80 3h2v h GLU 1021Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 3h2v h GLU 1021Cb 0.43 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 3h2v h GLU 1021CO 0.03 0.00 -1.06 0.52 -1.00 0.00 0.00 179.01 177.50 3h2v h MET 1022N 0.00 0.00 0.59 2.33 2.86 -1.00 -2.16 114.93 117.55 3h2v h MET 1022Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3h2v h MET 1022Cb 0.87 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.54 3h2v h MET 1022CO 0.00 0.77 -0.28 1.25 1.06 0.00 0.00 176.91 179.71 3h2v h LEU 1023N 0.00 -0.67 -1.03 1.22 5.85 -1.47 -1.50 115.31 117.71 3h2v h LEU 1023Ca -0.07 0.02 0.23 0.00 0.84 0.00 0.00 57.88 58.91 3h2v h LEU 1023Cb 1.73 0.17 -0.12 0.00 0.37 0.00 0.00 40.66 42.81 3h2v h LEU 1023CO 0.10 -0.34 0.60 0.58 -0.34 0.00 0.00 178.44 179.05 3h2v h VAL 1024N -1.07 0.57 -0.13 1.05 2.07 -1.52 0.31 116.25 117.53 3h2v h VAL 1024Ca -0.08 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 3h2v h VAL 1024Cb 0.61 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 3h2v h VAL 1024CO 0.13 0.11 -0.01 -0.74 0.02 0.00 0.00 177.57 177.09 3h2v h HIS 1025N 0.61 0.26 -0.70 1.57 -0.00 -1.34 -0.16 115.15 115.39 3h2v h HIS 1025Ca 0.63 -0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.94 3h2v h HIS 1025Cb 1.17 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 28.48 3h2v h HIS 1025CO -0.01 0.49 0.39 -0.97 -0.00 0.00 0.00 177.93 177.83 3h2v h ASN 1026N -0.03 0.86 -0.36 3.26 -0.73 -0.07 -2.17 115.58 116.34 3h2v h ASN 1026Ca 0.04 -0.09 -0.02 0.00 1.87 0.00 0.00 56.30 58.10 3h2v h ASN 1026Cb 0.38 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.74 3h2v h ASN 1026CO 0.01 0.70 0.15 0.00 -0.37 0.00 0.00 177.43 177.92 3h2v h ALA 1027N 1.20 0.47 -0.53 1.57 0.00 -0.38 0.26 119.26 121.85 3h2v h ALA 1027Ca 0.25 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.11 3h2v h ALA 1027Cb 0.02 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 3h2v h ALA 1027CO -0.04 0.06 0.19 1.96 0.00 0.00 0.00 179.25 181.42 3h2v h GLN 1028N 0.44 0.36 0.00 0.00 4.20 -0.73 -1.39 115.11 117.98 3h2v h GLN 1028Ca 0.12 -0.02 -0.13 0.00 0.06 0.00 0.00 58.65 58.68 3h2v h GLN 1028Cb 0.17 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 3h2v h GLN 1028CO -0.01 0.24 -0.61 -0.91 -0.67 0.00 0.00 178.83 176.87 3h2v h ASN 1029N 0.37 0.00 -0.30 1.46 -0.26 -1.05 -1.04 115.58 114.76 3h2v h ASN 1029Ca 0.26 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.92 3h2v h ASN 1029Cb 0.29 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.54 3h2v h ASN 1029CO -0.27 0.61 -0.10 0.25 -1.06 0.00 0.00 177.43 176.86 3h2v h LEU 1030N 0.00 0.62 -0.38 1.61 5.85 -0.55 -0.39 115.31 122.07 3h2v h LEU 1030Ca -0.01 -0.38 -0.06 0.00 0.84 0.00 0.00 57.88 58.27 3h2v h LEU 1030Cb 1.10 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 3h2v h LEU 1030CO 0.08 0.86 0.01 0.24 -0.34 0.00 0.00 178.44 179.29 3h2v h MET 1031N 0.37 0.66 -0.86 1.25 2.86 -1.18 -1.19 114.93 116.85 3h2v h MET 1031Ca 0.07 -0.21 0.01 0.00 -2.06 0.00 0.00 59.70 57.52 3h2v h MET 1031Cb 0.61 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.16 3h2v h MET 1031CO 0.04 0.76 0.57 1.96 1.06 0.00 0.00 176.91 181.30 3h2v h GLN 1032N 0.49 1.11 -0.24 1.72 1.08 -1.04 -1.78 115.11 116.45 3h2v h GLN 1032Ca 0.11 -0.07 -0.07 0.00 -1.45 0.00 0.00 58.65 57.17 3h2v h GLN 1032Cb 0.45 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 3h2v h GLN 1032CO 0.02 0.74 -0.12 0.77 -0.95 0.00 0.00 178.83 179.29 3h2v h SER 1033N 1.15 0.52 -0.98 1.46 0.02 -0.78 -1.39 113.55 113.55 3h2v h SER 1033Ca 0.32 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3h2v h SER 1033Cb -0.10 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.25 3h2v h SER 1033CO -0.08 0.82 0.63 0.58 -1.14 0.00 0.00 176.83 177.64 3h2v h VAL 1034N 0.23 1.26 0.00 2.27 2.07 -0.84 -1.32 116.25 119.92 3h2v h VAL 1034Ca 0.05 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 3h2v h VAL 1034Cb 0.62 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 3h2v h VAL 1034CO 0.04 0.26 -0.21 0.07 0.02 0.00 0.00 177.57 177.74 3h2v h LYS 1035N 1.34 0.00 0.00 1.57 2.10 -1.24 -2.47 116.57 117.88 3h2v h LYS 1035Ca 0.36 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.82 3h2v h LYS 1035Cb -0.12 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.19 3h2v h LYS 1035CO -0.07 0.21 -0.87 1.49 -2.00 0.00 0.00 179.45 178.21 3h2v h GLU 1036N 0.00 0.12 0.04 0.07 4.81 -0.66 -3.23 114.58 115.74 3h2v h GLU 1036Ca -0.00 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3h2v h GLU 1036Cb 1.00 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.43 3h2v h GLU 1036CO 0.03 0.91 -0.02 1.15 -0.73 0.00 0.00 179.01 180.35 3h2v h THR 1037N 0.07 1.17 0.00 0.32 2.02 -0.87 -1.87 112.91 113.75 3h2v h THR 1037Ca -0.03 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.43 3h2v h THR 1037Cb 1.50 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.56 3h2v h THR 1037CO 0.13 0.18 0.00 0.52 0.37 0.00 0.00 175.52 176.72 3h2v n VAL 1038N -4.97 0.72 0.03 3.16 0.31 -0.96 0.12 118.33 116.74 3h2v n VAL 1038Ca -0.08 0.18 0.02 0.00 -0.01 0.00 0.00 64.34 64.45 3h2v n VAL 1038Cb 0.18 -1.10 -0.03 0.00 -0.91 0.00 0.00 33.84 31.99 3h2v n VAL 1038CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3h2v n ARG 1039N -1.21 1.30 0.00 5.55 1.74 -0.96 -3.56 116.66 119.52 3h2v n ARG 1039Ca 0.03 -0.03 0.11 0.00 -0.77 0.00 0.00 57.85 57.19 3h2v n ARG 1039Cb 0.03 -0.99 -0.07 0.00 -1.02 0.00 0.00 32.46 30.41 3h2v n ARG 1039CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3h2v n GLU 1040N -1.51 0.17 -0.10 5.56 -0.58 0.18 -3.23 120.64 121.14 3h2v n GLU 1040Ca -0.00 -0.03 -0.10 0.00 -0.42 0.00 0.00 57.16 56.60 3h2v n GLU 1040Cb 0.08 -1.52 0.04 0.00 -0.57 0.00 0.00 31.44 29.47 3h2v n GLU 1040CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h2v h ALA 1041N 2.74 0.75 -0.37 0.62 0.00 0.77 -2.93 119.26 120.85 3h2v h ALA 1041Ca 0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 3h2v h ALA 1041Cb 0.63 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3h2v h ALA 1041CO 0.00 0.66 -0.23 1.49 0.00 0.00 0.00 179.25 181.17 3h2v h GLU 1042N 0.70 0.81 -0.78 0.00 4.22 -1.64 -2.76 114.58 115.13 3h2v h GLU 1042Ca 0.08 -0.38 -0.01 0.00 0.08 0.00 0.00 59.36 59.13 3h2v h GLU 1042Cb 0.85 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.05 3h2v h GLU 1042CO 0.07 1.01 0.43 0.00 -2.18 0.00 0.00 179.01 178.34 3h2v h ALA 1043N 0.78 1.00 0.00 2.92 0.00 -1.51 -1.94 119.26 120.51 3h2v h ALA 1043Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3h2v h ALA 1043Cb 0.79 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3h2v h ALA 1043CO 0.06 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.83 3h2v n ALA 1044N -2.37 2.46 0.79 0.00 0.00 -1.11 -2.68 120.51 117.61 3h2v n ALA 1044Ca 0.07 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3h2v n ALA 1044Cb 0.09 -1.19 0.17 0.00 0.00 0.00 0.00 19.45 18.52 3h2v n ALA 1044CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3h2v n SER 1045N -0.70 0.60 0.08 0.00 7.64 -0.73 -4.41 113.62 116.09 3h2v n SER 1045Ca 0.09 -0.17 -0.12 0.00 1.01 0.00 0.00 58.87 59.68 3h2v n SER 1045Cb 0.04 0.37 -0.08 0.00 -1.01 0.00 0.00 64.21 63.52 3h2v n SER 1045CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3h2v h ILE 1046N 0.00 0.92 -3.31 0.44 1.08 -1.63 -3.40 117.51 111.60 3h2v h ILE 1046Ca 0.00 -0.90 -0.73 0.00 -0.39 0.00 0.00 64.86 62.84 3h2v h ILE 1046Cb 0.61 1.42 -0.25 0.00 -3.07 0.00 0.00 36.82 35.54 3h2v h ILE 1046CO 0.00 0.19 -0.36 -1.59 -0.69 0.00 0.00 178.15 175.71 3h2v s LYS 1047N -4.17 2.84 -0.17 2.37 0.00 -1.26 -5.06 119.74 114.29 3h2v s LYS 1047Ca -0.14 -1.47 -0.05 0.00 0.00 0.00 0.00 55.97 54.31 3h2v s LYS 1047Cb 0.02 -4.05 -0.03 0.00 0.00 0.00 0.00 37.83 33.77 3h2v s LYS 1047CO 0.55 -1.07 -0.00 0.42 0.00 0.00 0.00 175.35 175.25 3h2v s ILE 1048N 1.55 4.19 0.16 3.79 -1.09 -1.26 -2.85 121.20 125.68 3h2v s ILE 1048Ca 0.04 -0.25 -0.18 0.00 -2.23 0.00 0.00 60.65 58.03 3h2v s ILE 1048Cb -0.25 -2.86 0.06 0.00 -1.58 0.00 0.00 42.46 37.83 3h2v s ILE 1048CO 0.04 0.48 1.67 0.03 -1.23 0.00 0.00 174.94 175.93 3h2v h ARG 1049N 6.76 -0.03 -3.37 2.79 3.08 -1.70 -3.43 114.38 118.48 3h2v h ARG 1049Ca -0.33 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.51 3h2v h ARG 1049Cb 1.18 0.01 -0.28 0.00 0.08 0.00 0.00 29.97 30.96 3h2v h ARG 1049CO 0.65 -0.02 -0.57 -0.08 -1.07 0.00 0.00 179.97 178.88 3h2v s THR 1050N -6.20 -0.01 -1.42 2.04 -1.32 -1.26 -5.00 115.64 102.47 3h2v s THR 1050Ca -0.14 0.05 0.23 0.00 -1.21 0.00 0.00 61.69 60.62 3h2v s THR 1050Cb 0.13 -0.21 0.40 0.00 -1.51 0.00 0.00 72.50 71.31 3h2v s THR 1050CO 0.70 0.02 1.76 -0.67 -2.21 0.00 0.00 174.62 174.22 3h2v n ASP 1051N 3.32 0.00 0.03 8.08 -0.08 -1.26 -3.00 116.55 123.64 3h2v n ASP 1051Ca -0.16 -0.03 -0.19 0.00 -1.51 0.00 0.00 54.79 52.90 3h2v n ASP 1051Cb 0.57 -0.29 -0.12 0.00 2.34 0.00 0.00 41.12 43.62 3h2v n ASP 1051CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3h2v h ALA 1052N 3.09 0.05 -3.00 -1.67 0.00 -1.98 -3.46 119.26 112.28 3h2v h ALA 1052Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3h2v h ALA 1052Cb 0.22 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3h2v h ALA 1052CO 0.00 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.14 3h2v n GLY 1053N 1.20 -3.02 3.80 0.00 0.00 -1.16 -4.96 105.19 101.05 3h2v n GLY 1053Ca -0.11 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.46 3h2v n GLY 1053CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3h2v s PHE 1054N 0.00 3.02 -0.21 1.61 5.36 -1.26 -5.07 117.98 121.42 3h2v s PHE 1054Ca 0.00 1.52 -0.17 0.00 -0.96 0.00 0.00 56.93 57.32 3h2v s PHE 1054Cb 0.00 -3.00 0.06 0.00 -0.34 0.00 0.00 43.02 39.73 3h2v s PHE 1054CO 0.00 -1.03 0.55 0.99 -1.46 0.00 0.00 175.22 174.27 3h2v s THR 1055N -2.39 -0.00 0.13 0.12 2.01 -1.26 -4.99 115.64 109.25 3h2v s THR 1055Ca 0.64 0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.70 3h2v s THR 1055Cb -0.16 -0.78 -0.04 0.00 0.01 0.00 0.00 72.50 71.53 3h2v s THR 1055CO 0.34 0.01 0.07 -0.76 -0.69 0.00 0.00 174.62 173.59 3h2v s LEU 1056N 0.69 3.64 -0.29 4.42 1.43 -1.26 -4.96 118.68 122.34 3h2v s LEU 1056Ca -0.03 -0.17 -0.21 0.00 -1.03 0.00 0.00 54.13 52.70 3h2v s LEU 1056Cb -0.05 -2.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.87 3h2v s LEU 1056CO -0.05 0.12 0.64 -0.60 0.23 0.00 0.00 176.35 176.69 3h2v s ARG 1057N -2.75 3.96 -0.96 1.70 3.52 -0.23 -4.98 118.95 119.21 3h2v s ARG 1057Ca 0.29 0.39 -0.06 0.00 -0.13 0.00 0.00 55.73 56.22 3h2v s ARG 1057Cb -0.11 -3.71 0.24 0.00 -1.56 0.00 0.00 34.95 29.82 3h2v s ARG 1057CO 0.21 -0.54 0.89 -1.58 -0.81 0.00 0.00 175.30 173.47 3h2v s TRP 1058N 2.61 4.01 -0.22 5.12 0.52 -1.26 -4.43 118.94 125.28 3h2v s TRP 1058Ca 0.26 -2.78 0.01 0.00 0.02 0.00 0.00 56.10 53.61 3h2v s TRP 1058Cb -0.15 -3.54 0.03 0.00 -1.15 0.00 0.00 33.47 28.67 3h2v s TRP 1058CO 0.11 -0.85 -0.13 0.08 0.02 0.00 0.00 176.95 176.17 3h2v s VAL 1059N -1.09 2.33 0.37 4.03 1.01 -1.26 -5.05 120.40 120.73 3h2v s VAL 1059Ca 0.27 -1.17 -0.28 0.00 0.00 0.00 0.00 61.98 60.81 3h2v s VAL 1059Cb -0.10 -2.15 -0.10 0.00 0.00 0.00 0.00 36.38 34.03 3h2v s VAL 1059CO -0.10 0.28 1.39 -0.13 0.00 0.00 0.00 175.10 176.54 3h2v s ARG 1060N 1.24 4.16 0.00 2.72 1.81 -1.26 -1.27 118.95 126.35 3h2v s ARG 1060Ca -0.00 2.38 0.29 0.00 -1.72 0.00 0.00 55.73 56.68 3h2v s ARG 1060Cb -0.16 -2.97 1.21 0.00 -0.45 0.00 0.00 34.95 32.58 3h2v s ARG 1060CO -0.08 -0.41 1.84 1.63 -0.68 0.00 0.00 175.30 177.59