#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2v n PHE 885 N 0.00 0.00 -2.17 -0.32 7.35 -1.26 -5.03 117.46 116.03 3h2v n PHE 885 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3h2v n PHE 885 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 3h2v n PHE 885 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3h2v n PRO 886 N -1.11 3.19 -2.51 -7.13 -0.02 -1.26 -5.23 135.00 120.92 3h2v n PRO 886 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.34 3h2v n PRO 886 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 33.51 3h2v n PRO 886 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3h2v n GLU 887 N 0.00 2.42 0.00 -0.52 0.00 -1.26 -5.11 120.64 116.17 3h2v n GLU 887 Ca 0.00 -3.83 0.00 0.00 0.00 0.00 0.00 57.16 53.33 3h2v n GLU 887 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 31.44 29.62 3h2v n GLU 887 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3h2v n VAL 893 N -0.47 0.00 -5.05 3.84 0.31 -1.26 -5.19 118.33 110.51 3h2v n VAL 893 Ca 0.24 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.24 3h2v n VAL 893 Cb 0.82 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.59 3h2v n VAL 893 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3h2v s ILE 894 N 0.00 2.45 -0.91 2.52 -4.36 -1.26 -4.65 121.20 114.99 3h2v s ILE 894 Ca 0.00 -0.88 -0.31 0.00 -0.26 0.00 0.00 60.65 59.20 3h2v s ILE 894 Cb 0.00 -1.97 -0.20 0.00 1.25 0.00 0.00 42.46 41.54 3h2v s ILE 894 CO 0.00 0.55 2.64 -3.20 0.24 0.00 0.00 174.94 175.16 3h2v n ASN 895 N 3.47 0.56 -0.24 4.36 5.15 -1.12 -4.82 115.26 122.63 3h2v n ASN 895 Ca -0.19 0.13 -0.06 0.00 -0.60 0.00 0.00 54.58 53.86 3h2v n ASN 895 Cb 0.53 -1.00 -0.01 0.00 -0.53 0.00 0.00 39.78 38.77 3h2v n ASN 895 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 3h2v h GLN 896 N 12.74 -0.16 0.00 1.20 4.15 -1.96 -0.55 115.11 130.52 3h2v h GLN 896 Ca -0.08 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 3h2v h GLN 896 Cb 1.31 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 29.04 3h2v h GLN 896 CO 1.35 -0.11 -0.05 -1.35 -1.93 0.00 0.00 178.83 176.74 3h2v h PRO 897 N -0.17 0.00 0.23 -2.39 0.11 -1.99 -0.29 132.00 127.51 3h2v h PRO 897 Ca 0.22 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 66.02 3h2v h PRO 897 Cb 0.56 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.70 3h2v h PRO 897 CO -0.73 0.05 -1.35 0.52 -0.21 0.00 0.00 178.00 176.27 3h2v h MET 898 N 0.00 0.49 0.00 1.05 2.86 -1.71 -2.85 114.93 114.77 3h2v h MET 898 Ca -0.00 -0.83 -0.06 0.00 -2.06 0.00 0.00 59.70 56.75 3h2v h MET 898 Cb 0.55 0.31 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 3h2v h MET 898 CO 0.01 1.40 -0.27 0.52 1.06 0.00 0.00 176.91 179.62 3h2v h MET 899 N 0.03 0.00 -0.38 1.72 2.86 -0.98 0.24 114.93 118.42 3h2v h MET 899 Ca -0.24 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.24 3h2v h MET 899 Cb 2.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.71 3h2v h MET 899 CO 0.25 0.27 -0.39 1.98 1.06 0.00 0.00 176.91 180.08 3h2v h MET 900 N 0.00 0.94 -0.03 1.72 -1.53 -1.05 -0.11 114.93 114.86 3h2v h MET 900 Ca -0.00 -0.50 -0.21 0.00 -3.44 0.00 0.00 59.70 55.55 3h2v h MET 900 Cb 0.50 0.02 0.00 0.00 -0.55 0.00 0.00 31.60 31.57 3h2v h MET 900 CO 0.04 1.16 -0.86 0.00 0.14 0.00 0.00 176.91 177.38 3h2v h ALA 901 N 0.77 0.43 -0.36 0.39 0.00 -1.22 -0.38 119.26 118.89 3h2v h ALA 901 Ca 0.06 -0.67 0.01 0.00 0.00 0.00 0.00 54.91 54.31 3h2v h ALA 901 Cb 0.99 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3h2v h ALA 901 CO 0.10 0.79 0.22 0.00 0.00 0.00 0.00 179.25 180.36 3h2v h ALA 902 N 0.79 0.45 -0.53 0.00 0.00 -0.40 -2.65 119.26 116.92 3h2v h ALA 902 Ca -0.06 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3h2v h ALA 902 Cb 1.48 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3h2v h ALA 902 CO 0.15 -0.12 0.11 -0.09 0.00 0.00 0.00 179.25 179.30 3h2v h ARG 903 N 0.45 0.86 -0.79 0.00 2.43 -0.85 -1.68 114.38 114.79 3h2v h ARG 903 Ca 0.14 -0.22 0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3h2v h ARG 903 Cb -0.02 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.38 3h2v h ARG 903 CO -0.05 0.83 0.52 1.96 -1.51 0.00 0.00 179.97 181.72 3h2v h GLN 904 N 0.75 1.05 0.44 0.20 4.20 -0.88 -1.22 115.11 119.65 3h2v h GLN 904 Ca 0.16 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 3h2v h GLN 904 Cb 0.37 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3h2v h GLN 904 CO 0.01 0.70 -0.21 1.25 -0.67 0.00 0.00 178.83 179.90 3h2v h LEU 905 N 1.07 -0.50 -0.94 1.46 5.85 -1.39 -3.08 115.31 117.78 3h2v h LEU 905 Ca 0.29 -0.10 0.25 0.00 0.84 0.00 0.00 57.88 59.16 3h2v h LEU 905 Cb -0.11 0.13 -0.17 0.00 0.37 0.00 0.00 40.66 40.88 3h2v h LEU 905 CO -0.06 -0.12 0.03 -0.74 -0.34 0.00 0.00 178.44 177.21 3h2v h HIS 906 N -0.97 -0.03 -0.75 1.25 2.76 -0.92 0.03 115.15 116.51 3h2v h HIS 906 Ca -0.06 0.07 -0.06 0.00 -2.20 0.00 0.00 60.37 58.12 3h2v h HIS 906 Cb 0.57 0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.67 3h2v h HIS 906 CO 0.02 -0.38 0.24 -0.44 -1.30 0.00 0.00 177.93 176.07 3h2v h ASP 907 N 0.04 1.09 -0.64 3.26 3.32 -1.28 -1.18 116.42 121.04 3h2v h ASP 907 Ca 0.56 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 57.32 3h2v h ASP 907 Cb 1.12 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.36 3h2v h ASP 907 CO -0.86 1.00 0.09 -0.08 -1.72 0.00 0.00 179.24 177.67 3h2v h GLU 908 N 1.11 1.08 0.00 3.56 4.57 -0.91 -3.16 114.58 120.83 3h2v h GLU 908 Ca 0.24 -0.29 -0.06 0.00 -1.18 0.00 0.00 59.36 58.06 3h2v h GLU 908 Cb 0.30 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 3h2v h GLU 908 CO -0.01 1.00 -0.36 0.00 -1.18 0.00 0.00 179.01 178.46 3h2v h ALA 909 N 1.08 0.79 0.00 2.92 0.00 -1.31 -3.15 119.26 119.58 3h2v h ALA 909 Ca 0.20 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3h2v h ALA 909 Cb 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3h2v h ALA 909 CO 0.02 0.38 0.00 2.89 0.00 0.00 0.00 179.25 182.54 3h2v n ARG 910 N -3.15 0.94 0.20 0.00 1.85 -0.46 -2.19 116.66 113.85 3h2v n ARG 910 Ca 0.02 0.00 0.08 0.00 -1.00 0.00 0.00 57.85 56.95 3h2v n ARG 910 Cb 0.66 -1.50 0.32 0.00 -1.05 0.00 0.00 32.46 30.89 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 0.00 0.00 -6.53 2.89 1.57 -1.55 -3.44 116.57 109.52 3h2v h LYS 911 Ca 0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 3h2v h LYS 911 Cb 0.01 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.15 3h2v h LYS 911 CO 0.00 0.28 -0.81 -1.58 -0.57 0.00 0.00 179.45 176.77 3h2v s TRP 912 N -3.44 2.30 0.19 -1.35 0.52 -0.93 -0.12 118.94 116.11 3h2v s TRP 912 Ca 0.02 -0.35 -0.30 0.00 0.02 0.00 0.00 56.10 55.49 3h2v s TRP 912 Cb 0.09 -1.11 -0.08 0.00 -1.15 0.00 0.00 33.47 31.23 3h2v s TRP 912 CO 0.67 0.54 1.01 0.45 0.02 0.00 0.00 176.95 179.64 3h2v s SER 913 N -2.84 7.46 0.28 2.95 0.15 -0.64 -4.66 113.70 116.39 3h2v s SER 913 Ca 0.23 1.99 0.10 0.00 0.70 0.00 0.00 55.95 58.97 3h2v s SER 913 Cb -0.07 -2.60 0.37 0.00 -1.71 0.00 0.00 66.02 62.00 3h2v s SER 913 CO 0.11 -0.04 1.62 0.28 1.20 0.00 0.00 173.24 176.41 3h2v h SER 914 N 4.73 0.01 -0.77 5.45 0.02 -1.91 -3.43 113.55 117.66 3h2v h SER 914 Ca -0.44 -0.01 -0.72 0.00 -0.84 0.00 0.00 61.79 59.78 3h2v h SER 914 Cb 1.21 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.72 3h2v h SER 914 CO 0.70 0.62 1.30 1.17 -1.14 0.00 0.00 176.83 179.48 3h2v n LYS 915 N -3.82 0.69 -1.30 3.45 0.00 -1.26 -1.13 118.16 114.80 3h2v n LYS 915 Ca -0.01 0.20 -0.09 0.00 0.00 0.00 0.00 58.31 58.41 3h2v n LYS 915 Cb 0.61 -2.06 -0.04 0.00 0.00 0.00 0.00 35.03 33.54 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 6.52 1.01 2.43 3.14 0.00 -1.26 -4.65 105.19 112.38 3h2v n GLY 916 Ca 0.44 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.89 2.05 0.08 1.61 3.84 -0.28 -1.31 114.94 118.03 3h2v s ASN 917 Ca 0.00 -2.77 0.14 0.00 0.21 0.00 0.00 52.86 50.44 3h2v s ASN 917 Cb 0.00 -0.45 0.61 0.00 -0.55 0.00 0.00 41.25 40.86 3h2v s ASN 917 CO 0.00 -0.22 1.44 0.47 -2.79 0.00 0.00 177.10 176.00 3h2v n ASP 918 N 3.26 0.18 -0.03 -4.21 8.00 -1.26 -1.43 116.55 121.05 3h2v n ASP 918 Ca 0.23 0.55 -0.16 0.00 0.71 0.00 0.00 54.79 56.12 3h2v n ASP 918 Cb 0.44 -0.59 -0.08 0.00 -0.02 0.00 0.00 41.12 40.87 3h2v n ASP 918 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3h2v h ILE 919 N 0.00 1.34 -0.12 0.53 2.04 -1.92 -0.65 117.51 118.72 3h2v h ILE 919 Ca 0.00 -1.82 -0.17 0.00 1.00 0.00 0.00 64.86 63.86 3h2v h ILE 919 Cb 0.20 2.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 3h2v h ILE 919 CO 0.00 0.56 -0.65 0.40 0.00 0.00 0.00 178.15 178.46 3h2v h ILE 920 N 0.24 1.35 -0.55 -0.67 1.08 -1.58 -0.55 117.51 116.84 3h2v h ILE 920 Ca -0.03 -1.97 -0.01 0.00 -0.39 0.00 0.00 64.86 62.46 3h2v h ILE 920 Cb 1.18 1.95 -0.03 0.00 -3.07 0.00 0.00 36.82 36.86 3h2v h ILE 920 CO 0.11 0.60 0.32 0.00 -0.69 0.00 0.00 178.15 178.50 3h2v h ALA 921 N 0.95 0.70 -0.00 1.87 0.00 -1.39 -0.10 119.26 121.29 3h2v h ALA 921 Ca -0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3h2v h ALA 921 Cb 1.20 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3h2v h ALA 921 CO 0.12 0.20 -0.00 0.00 0.00 0.00 0.00 179.25 179.56 3h2v h ALA 922 N 1.15 0.00 -0.33 0.00 0.00 -0.96 -2.37 119.26 116.75 3h2v h ALA 922 Ca 0.20 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3h2v h ALA 922 Cb 0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3h2v h ALA 922 CO -0.03 -0.33 0.09 0.00 0.00 0.00 0.00 179.25 178.98 3h2v h ALA 923 N 0.66 0.36 -0.92 0.00 0.00 -0.96 0.13 119.26 118.53 3h2v h ALA 923 Ca 0.00 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3h2v h ALA 923 Cb 0.34 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 3h2v h ALA 923 CO 0.00 -0.31 0.60 0.87 0.00 0.00 0.00 179.25 180.41 3h2v h LYS 924 N 0.22 1.05 0.27 0.00 1.57 -1.02 -1.31 116.57 117.34 3h2v h LYS 924 Ca 0.15 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3h2v h LYS 924 Cb 0.14 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.22 3h2v h LYS 924 CO -0.18 0.69 -0.13 0.00 -0.57 0.00 0.00 179.45 179.27 3h2v h ARG 925 N 1.08 -0.35 -0.21 3.15 3.08 -0.75 -2.14 114.38 118.24 3h2v h ARG 925 Ca 0.39 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.52 3h2v h ARG 925 Cb 0.14 0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.20 3h2v h ARG 925 CO -0.14 -0.09 -0.32 0.52 -1.07 0.00 0.00 179.97 178.87 3h2v h MET 926 N -0.58 -0.33 -0.93 0.04 2.86 -0.45 -0.31 114.93 115.23 3h2v h MET 926 Ca -0.04 0.02 0.21 0.00 -2.06 0.00 0.00 59.70 57.84 3h2v h MET 926 Cb 0.42 0.08 -0.12 0.00 0.06 0.00 0.00 31.60 32.04 3h2v h MET 926 CO 0.06 -0.22 0.48 0.00 1.06 0.00 0.00 176.91 178.28 3h2v h ALA 927 N 0.53 1.53 -0.12 6.32 0.00 -1.21 0.19 119.26 126.51 3h2v h ALA 927 Ca 0.12 0.13 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 3h2v h ALA 927 Cb 0.54 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3h2v h ALA 927 CO -0.41 -0.26 -0.49 -0.07 0.00 0.00 0.00 179.25 178.02 3h2v h LEU 928 N 0.52 0.34 -0.18 0.00 4.07 -0.58 -1.65 115.31 117.84 3h2v h LEU 928 Ca 0.57 -0.17 -0.09 0.00 0.08 0.00 0.00 57.88 58.28 3h2v h LEU 928 Cb 1.03 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.66 3h2v h LEU 928 CO -0.48 0.78 -0.41 -0.07 -1.08 0.00 0.00 178.44 177.18 3h2v h LEU 929 N 0.25 0.00 -0.41 1.67 3.38 0.39 -2.63 115.31 117.97 3h2v h LEU 929 Ca 0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 3h2v h LEU 929 Cb 0.96 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3h2v h LEU 929 CO 0.08 0.41 -0.74 -0.03 0.09 0.00 0.00 178.44 178.25 3h2v h MET 930 N 0.00 0.36 -0.32 1.13 4.05 -0.42 -1.55 114.93 118.18 3h2v h MET 930 Ca -0.00 -0.30 -0.06 0.00 -0.28 0.00 0.00 59.70 59.05 3h2v h MET 930 Cb 1.25 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 32.11 3h2v h MET 930 CO 0.05 0.95 -0.04 0.00 0.23 0.00 0.00 176.91 178.10 3h2v h ALA 931 N 0.96 0.44 -0.99 0.39 0.00 -1.32 -2.89 119.26 115.85 3h2v h ALA 931 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3h2v h ALA 931 Cb 1.32 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 3h2v h ALA 931 CO 0.12 0.24 0.64 1.49 0.00 0.00 0.00 179.25 181.74 3h2v h GLU 932 N 0.38 1.31 -0.61 0.00 4.81 -1.31 -2.91 114.58 116.25 3h2v h GLU 932 Ca 0.09 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3h2v h GLU 932 Cb 0.52 -0.29 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 3h2v h GLU 932 CO 0.02 0.88 0.32 1.98 -0.73 0.00 0.00 179.01 181.49 3h2v h MET 933 N 1.35 0.87 -0.53 1.92 4.05 -1.17 0.13 114.93 121.54 3h2v h MET 933 Ca 0.36 -0.11 -0.01 0.00 -0.28 0.00 0.00 59.70 59.66 3h2v h MET 933 Cb -0.13 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 30.48 3h2v h MET 933 CO -0.07 0.67 0.29 0.66 0.23 0.00 0.00 176.91 178.69 3h2v h SER 934 N 0.83 0.64 0.73 1.39 4.64 -1.32 0.57 113.55 121.03 3h2v h SER 934 Ca 0.21 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.45 3h2v h SER 934 Cb 0.07 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 62.01 3h2v h SER 934 CO -0.03 0.52 -0.35 0.03 -0.87 0.00 0.00 176.83 176.13 3h2v h ARG 935 N 0.73 -0.94 -0.77 4.77 3.08 -1.26 -2.94 114.38 117.04 3h2v h ARG 935 Ca 0.19 0.06 0.20 0.00 0.07 0.00 0.00 59.98 60.51 3h2v h ARG 935 Cb 0.02 0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 3h2v h ARG 935 CO -0.03 -0.61 0.54 -0.07 -1.07 0.00 0.00 179.97 178.73 3h2v h LEU 936 N -1.16 0.13 0.00 3.04 3.38 0.21 -1.40 115.31 119.52 3h2v h LEU 936 Ca -0.10 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3h2v h LEU 936 Cb 0.77 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3h2v h LEU 936 CO 0.16 0.06 0.00 0.52 0.09 0.00 0.00 178.44 179.27 3h2v n VAL 937 N -4.38 0.65 -0.06 1.22 0.31 0.19 -2.07 118.33 114.19 3h2v n VAL 937 Ca 0.16 0.16 -0.07 0.00 -0.01 0.00 0.00 64.34 64.58 3h2v n VAL 937 Cb 0.75 -1.03 -0.07 0.00 -0.91 0.00 0.00 33.84 32.58 3h2v n VAL 937 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3h2v n ARG 938 N -1.22 1.33 0.00 5.55 5.12 -0.53 -4.83 116.66 122.07 3h2v n ARG 938 Ca 0.04 0.04 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 3h2v n ARG 938 Cb 0.06 -1.26 0.00 0.00 -1.16 0.00 0.00 32.46 30.09 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 2.62 0.00 5.02 -0.13 0.00 -0.88 -4.75 105.19 107.06 3h2v n GLY 939 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.64 1.38 3.61 -0.02 0.00 -1.26 -4.54 105.19 103.72 3h2v n GLY 940 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.14 -0.08 -1.06 1.61 0.15 -1.26 -3.75 113.70 109.17 3h2v s SER 941 Ca 0.00 -0.01 -0.06 0.00 0.70 0.00 0.00 55.95 56.58 3h2v s SER 941 Cb 0.00 0.09 0.02 0.00 -1.71 0.00 0.00 66.02 64.43 3h2v s SER 941 CO 0.00 -0.15 2.72 0.61 1.20 0.00 0.00 173.24 177.62 3h2v n GLY 942 N -0.10 4.60 0.04 9.45 0.00 -1.26 -4.92 105.19 113.00 3h2v n GLY 942 Ca 0.02 -1.82 0.13 0.00 0.00 0.00 0.00 46.02 44.35 3h2v n GLY 942 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h2v n THR 943 N 1.99 0.29 0.15 2.61 -2.24 -1.26 -3.83 114.28 111.98 3h2v n THR 943 Ca 0.61 -0.07 -0.16 0.00 -2.27 0.00 0.00 64.05 62.16 3h2v n THR 943 Cb 0.38 -0.58 -0.09 0.00 -2.10 0.00 0.00 70.33 67.93 3h2v n THR 943 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3h2v h LYS 944 N 0.00 -0.75 -0.52 -0.78 5.09 -1.87 1.23 116.57 118.97 3h2v h LYS 944 Ca 0.00 0.05 -0.04 0.00 0.09 0.00 0.00 60.65 60.75 3h2v h LYS 944 Cb 0.56 0.17 -0.02 0.00 0.10 0.00 0.00 32.23 33.04 3h2v h LYS 944 CO 0.00 -0.50 0.16 0.00 -2.09 0.00 0.00 179.45 177.02 3h2v h ARG 945 N -0.78 0.81 0.97 0.07 3.08 -1.96 -2.57 114.38 114.01 3h2v h ARG 945 Ca -0.01 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 59.82 3h2v h ARG 945 Cb 0.76 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.71 3h2v h ARG 945 CO -0.23 0.75 -0.47 0.00 -1.07 0.00 0.00 179.97 178.95 3h2v h ALA 946 N 1.02 -1.32 -0.96 0.04 0.00 -1.59 -1.47 119.26 114.98 3h2v h ALA 946 Ca 0.17 -0.28 0.27 0.00 0.00 0.00 0.00 54.91 55.06 3h2v h ALA 946 Cb 0.28 0.50 -0.17 0.00 0.00 0.00 0.00 17.79 18.40 3h2v h ALA 946 CO -0.00 -1.22 0.10 1.25 0.00 0.00 0.00 179.25 179.37 3h2v h LEU 947 N -1.33 -0.34 0.65 0.00 5.85 0.16 0.37 115.31 120.66 3h2v h LEU 947 Ca -0.13 0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 3h2v h LEU 947 Cb 1.00 0.43 0.01 0.00 0.37 0.00 0.00 40.66 42.46 3h2v h LEU 947 CO 0.22 -0.32 -0.31 0.40 -0.34 0.00 0.00 178.44 178.09 3h2v h ILE 948 N 0.04 0.27 -0.91 4.05 5.03 -1.36 -2.40 117.51 122.23 3h2v h ILE 948 Ca 0.60 -0.23 0.13 0.00 -0.12 0.00 0.00 64.86 65.25 3h2v h ILE 948 Cb 1.26 0.33 -0.07 0.00 -3.03 0.00 0.00 36.82 35.32 3h2v h ILE 948 CO -0.86 0.02 0.58 -0.61 -0.68 0.00 0.00 178.15 176.61 3h2v h GLN 949 N -1.04 0.76 -0.66 2.37 5.75 0.15 -0.99 115.11 121.46 3h2v h GLN 949 Ca -0.09 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.30 3h2v h GLN 949 Cb 0.70 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 29.06 3h2v h GLN 949 CO 0.15 0.50 0.16 0.00 -2.65 0.00 0.00 178.83 176.99 3h2v h ALA 951 N 1.06 1.07 -0.28 0.00 0.00 -0.86 -0.68 119.26 119.57 3h2v h ALA 951 Ca 0.21 -0.45 -0.18 0.00 0.00 0.00 0.00 54.91 54.49 3h2v h ALA 951 Cb 0.36 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3h2v h ALA 951 CO 0.00 0.62 -0.53 0.87 0.00 0.00 0.00 179.25 180.21 3h2v h LYS 952 N 0.00 0.83 0.30 0.00 1.57 -0.58 -2.44 116.57 116.26 3h2v h LYS 952 Ca -0.00 -0.52 -0.01 0.00 -1.87 0.00 0.00 60.65 58.25 3h2v h LYS 952 Cb 0.94 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 3h2v h LYS 952 CO 0.06 1.15 -0.18 -0.44 -0.57 0.00 0.00 179.45 179.47 3h2v h ASP 953 N 0.64 -0.44 -0.74 0.86 5.19 -0.47 -1.80 116.42 119.66 3h2v h ASP 953 Ca 0.02 0.03 0.13 0.00 -0.62 0.00 0.00 57.03 56.58 3h2v h ASP 953 Cb 1.13 0.13 -0.09 0.00 0.18 0.00 0.00 39.33 40.68 3h2v h ASP 953 CO 0.12 -0.29 0.31 0.40 -3.12 0.00 0.00 179.24 176.66 3h2v h ILE 954 N -0.46 0.70 -0.27 0.35 2.04 -1.02 0.36 117.51 119.20 3h2v h ILE 954 Ca -0.03 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.59 3h2v h ILE 954 Cb 0.38 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 3h2v h ILE 954 CO 0.04 0.09 -0.15 0.00 0.00 0.00 0.00 178.15 178.13 3h2v h ALA 955 N 1.52 1.24 0.04 1.87 0.00 -1.26 -0.47 119.26 122.18 3h2v h ALA 955 Ca 0.40 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3h2v h ALA 955 Cb 0.56 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3h2v h ALA 955 CO -0.37 0.50 -0.07 -0.22 0.00 0.00 0.00 179.25 179.09 3h2v h LYS 956 N 0.44 -0.13 -0.63 0.00 3.64 0.57 -0.62 116.57 119.84 3h2v h LYS 956 Ca 0.08 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.55 3h2v h LYS 956 Cb 0.52 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.30 3h2v h LYS 956 CO 0.03 -0.09 0.29 0.00 -2.27 0.00 0.00 179.45 177.42 3h2v h ALA 957 N 0.82 0.84 -0.27 5.00 0.00 -0.84 -2.52 119.26 122.29 3h2v h ALA 957 Ca 0.01 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3h2v h ALA 957 Cb 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3h2v h ALA 957 CO -0.04 -0.10 0.10 0.77 0.00 0.00 0.00 179.25 179.99 3h2v h SER 958 N 0.52 0.37 -1.08 0.00 0.02 -0.73 -2.24 113.55 110.42 3h2v h SER 958 Ca 0.31 -0.17 0.29 0.00 -0.84 0.00 0.00 61.79 61.38 3h2v h SER 958 Cb 0.31 -0.10 -0.09 0.00 0.14 0.00 0.00 62.40 62.67 3h2v h SER 958 CO -0.25 0.44 0.71 0.44 -1.14 0.00 0.00 176.83 177.02 3h2v h ASP 959 N 0.28 0.35 1.01 3.07 3.32 -0.70 0.36 116.42 124.12 3h2v h ASP 959 Ca 0.09 0.07 -0.20 0.00 0.02 0.00 0.00 57.03 57.01 3h2v h ASP 959 Cb 0.19 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 3h2v h ASP 959 CO -0.01 0.05 -1.03 -0.33 -1.72 0.00 0.00 179.24 176.21 3h2v h GLU 960 N 0.30 0.00 -0.21 3.56 3.07 -1.27 -1.42 114.58 118.62 3h2v h GLU 960 Ca 0.60 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.41 3h2v h GLU 960 Cb 1.70 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.60 3h2v h GLU 960 CO -0.25 0.77 -0.06 0.28 -1.40 0.00 0.00 179.01 178.34 3h2v h VAL 961 N 0.00 1.29 0.63 3.13 2.07 0.16 -2.19 116.25 121.35 3h2v h VAL 961 Ca -0.06 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.36 3h2v h VAL 961 Cb 1.71 1.56 0.01 0.00 -1.52 0.00 0.00 31.29 33.05 3h2v h VAL 961 CO 0.10 0.33 -0.30 0.74 0.02 0.00 0.00 177.57 178.45 3h2v h THR 962 N 0.13 0.36 -0.84 2.57 2.02 -0.73 0.17 112.91 116.59 3h2v h THR 962 Ca 0.05 -0.07 0.21 0.00 0.77 0.00 0.00 66.41 67.37 3h2v h THR 962 Cb 0.52 0.39 -0.14 0.00 -1.74 0.00 0.00 68.15 67.18 3h2v h THR 962 CO 0.02 0.01 0.13 -0.09 0.37 0.00 0.00 175.52 175.96 3h2v h ARG 963 N -0.89 0.15 0.07 6.66 2.43 -1.26 0.35 114.38 121.89 3h2v h ARG 963 Ca -0.09 -0.01 -0.26 0.00 -0.81 0.00 0.00 59.98 58.81 3h2v h ARG 963 Cb 0.67 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.19 3h2v h ARG 963 CO 0.14 0.10 -1.12 -0.07 -1.51 0.00 0.00 179.97 177.51 3h2v h LEU 964 N 0.15 0.63 -1.80 3.80 3.38 -1.28 -2.99 115.31 117.21 3h2v h LEU 964 Ca 0.50 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3h2v h LEU 964 Cb 0.96 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 3h2v h LEU 964 CO -0.68 1.39 -0.11 0.00 0.09 0.00 0.00 178.44 179.14 3h2v h ALA 965 N 0.54 1.81 -0.01 1.53 0.00 0.05 -1.56 119.26 121.62 3h2v h ALA 965 Ca -0.13 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.47 3h2v h ALA 965 Cb 1.79 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.56 3h2v h ALA 965 CO 0.20 0.13 -0.88 0.87 0.00 0.00 0.00 179.25 179.57 3h2v h LYS 966 N 0.00 0.35 0.00 0.00 1.57 -0.89 -0.92 116.57 116.67 3h2v h LYS 966 Ca -0.00 -0.36 -0.10 0.00 -1.87 0.00 0.00 60.65 58.32 3h2v h LYS 966 Cb 0.19 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3h2v h LYS 966 CO 0.01 1.04 -0.49 1.49 -0.57 0.00 0.00 179.45 180.93 3h2v h GLU 967 N 0.20 0.00 -0.15 3.15 4.22 -1.28 0.92 114.58 121.64 3h2v h GLU 967 Ca -0.06 0.00 -0.08 0.00 0.08 0.00 0.00 59.36 59.30 3h2v h GLU 967 Cb 1.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.75 3h2v h GLU 967 CO 0.15 0.49 -0.21 0.28 -2.18 0.00 0.00 179.01 177.53 3h2v h VAL 968 N 0.00 1.36 -0.52 0.32 2.07 -1.14 -2.48 116.25 115.85 3h2v h VAL 968 Ca -0.00 -1.43 -0.05 0.00 0.82 0.00 0.00 66.70 66.03 3h2v h VAL 968 Cb 0.92 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 3h2v h VAL 968 CO 0.06 0.42 0.11 0.00 0.02 0.00 0.00 177.57 178.18 3h2v h ALA 969 N 0.58 1.22 0.00 1.67 0.00 -0.91 -1.04 119.26 120.79 3h2v h ALA 969 Ca 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3h2v h ALA 969 Cb 0.78 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3h2v h ALA 969 CO 0.05 0.53 0.00 -0.22 0.00 0.00 0.00 179.25 179.61 3h2v h LYS 970 N 0.77 0.00 0.00 0.00 3.64 -0.69 -2.61 116.57 117.69 3h2v h LYS 970 Ca 0.17 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 3h2v h LYS 970 Cb 0.31 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3h2v h LYS 970 CO 0.00 0.00 -1.79 0.94 -2.27 0.00 0.00 179.45 176.33 3h2v n GLN 971 N -3.07 0.65 -2.03 1.90 -0.06 -0.77 -4.96 117.38 109.04 3h2v n GLN 971 Ca -0.00 -0.09 -0.39 0.00 -2.00 0.00 0.00 57.00 54.52 3h2v n GLN 971 Cb 0.24 -1.60 0.00 0.00 -4.06 0.00 0.00 30.24 24.82 3h2v n GLN 971 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3h2v n THR 973 N -0.16 1.49 -3.78 0.00 -2.24 -0.96 -4.84 114.28 103.79 3h2v n THR 973 Ca 0.05 -1.44 -0.36 0.00 -2.27 0.00 0.00 64.05 60.03 3h2v n THR 973 Cb 0.44 0.18 -0.12 0.00 -2.10 0.00 0.00 70.33 68.73 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 -1.55 5.24 0.32 3.42 2.15 -1.26 -4.97 116.67 120.02 3h2v s ASP 974 Ca 0.25 -1.88 0.09 0.00 0.43 0.00 0.00 52.55 51.44 3h2v s ASP 974 Cb 0.18 -1.83 0.87 0.00 -0.30 0.00 0.00 42.92 41.84 3h2v s ASP 974 CO 0.08 -0.50 1.74 0.50 -0.17 0.00 0.00 175.17 176.82 3h2v h LYS 975 N 8.08 0.59 0.57 4.34 3.64 -1.97 0.79 116.57 132.60 3h2v h LYS 975 Ca -0.15 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 3h2v h LYS 975 Cb 1.05 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 3h2v h LYS 975 CO 0.68 0.39 -0.44 -0.09 -2.27 0.00 0.00 179.45 177.72 3h2v h ARG 976 N 0.61 -0.93 0.11 1.90 9.65 -2.00 -2.33 114.38 121.39 3h2v h ARG 976 Ca 0.64 0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 59.57 3h2v h ARG 976 Cb 1.18 0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.98 3h2v h ARG 976 CO -0.46 -0.62 -0.06 0.82 2.80 0.00 0.00 179.97 182.45 3h2v h ILE 977 N -0.97 1.07 -1.13 1.20 1.08 -1.76 -2.69 117.51 114.32 3h2v h ILE 977 Ca -0.07 -0.84 0.33 0.00 -0.39 0.00 0.00 64.86 63.89 3h2v h ILE 977 Cb 0.81 1.59 -0.05 0.00 -3.07 0.00 0.00 36.82 36.10 3h2v h ILE 977 CO 0.02 0.20 0.89 -0.09 -0.69 0.00 0.00 178.15 178.47 3h2v h ARG 978 N -0.55 0.00 0.01 2.37 2.43 0.50 0.82 114.38 119.96 3h2v h ARG 978 Ca -0.02 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3h2v h ARG 978 Cb 0.44 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3h2v h ARG 978 CO 0.03 0.00 -0.11 1.15 -1.51 0.00 0.00 179.97 179.53 3h2v h THR 979 N 0.00 1.70 -0.31 0.20 2.02 -1.28 -2.95 112.91 112.28 3h2v h THR 979 Ca 0.54 -2.19 0.02 0.00 0.77 0.00 0.00 66.41 65.55 3h2v h THR 979 Cb 2.31 3.17 -0.03 0.00 -1.74 0.00 0.00 68.15 71.86 3h2v h THR 979 CO -0.01 0.58 0.15 0.78 0.37 0.00 0.00 175.52 177.39 3h2v h ASN 980 N -0.82 0.21 -0.64 4.18 -0.26 -0.59 -1.31 115.58 116.35 3h2v h ASN 980 Ca -0.02 0.02 0.12 0.00 -0.56 0.00 0.00 56.30 55.86 3h2v h ASN 980 Cb 1.01 -0.02 -0.09 0.00 -1.06 0.00 0.00 38.32 38.16 3h2v h ASN 980 CO 0.02 0.16 0.16 0.25 -1.06 0.00 0.00 177.43 176.96 3h2v h LEU 981 N 0.31 0.05 -0.61 1.61 5.85 -1.11 -1.63 115.31 119.77 3h2v h LEU 981 Ca 0.13 0.11 -0.14 0.00 0.84 0.00 0.00 57.88 58.83 3h2v h LEU 981 Cb 0.06 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3h2v h LEU 981 CO -0.10 0.02 -0.38 -0.07 -0.34 0.00 0.00 178.44 177.57 3h2v h LEU 982 N 0.29 0.71 0.60 2.25 3.38 -1.25 -2.66 115.31 118.63 3h2v h LEU 982 Ca 0.34 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3h2v h LEU 982 Cb 0.51 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3h2v h LEU 982 CO -0.41 1.01 -0.45 -0.61 0.09 0.00 0.00 178.44 178.07 3h2v h GLN 983 N 0.55 -0.98 0.00 1.13 4.15 -0.37 -2.38 115.11 117.22 3h2v h GLN 983 Ca 0.05 0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 3h2v h GLN 983 Cb 0.90 0.22 -0.00 0.00 0.21 0.00 0.00 27.48 28.82 3h2v h GLN 983 CO 0.08 -0.65 -0.05 -0.39 -1.93 0.00 0.00 178.83 175.89 3h2v h VAL 984 N -1.01 1.04 -0.06 2.39 -1.51 -1.38 -2.66 116.25 113.06 3h2v h VAL 984 Ca -0.08 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.21 3h2v h VAL 984 Cb 0.84 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 3h2v h VAL 984 CO 0.02 0.05 0.00 0.00 -1.23 0.00 0.00 177.57 176.42 3h2v h GLU 986 N 3.11 0.52 0.00 0.00 4.39 -1.05 -3.28 114.58 118.26 3h2v h GLU 986 Ca 0.00 -0.87 -0.05 0.00 0.34 0.00 0.00 59.36 58.79 3h2v h GLU 986 Cb 0.66 0.32 -0.01 0.00 -0.10 0.00 0.00 28.75 29.63 3h2v h GLU 986 CO 0.00 1.41 -0.22 0.00 -1.16 0.00 0.00 179.01 179.04 3h2v h ARG 987 N 0.08 0.00 -0.62 2.33 3.08 -1.71 -3.32 114.38 114.22 3h2v h ARG 987 Ca -0.24 0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.92 3h2v h ARG 987 Cb 2.08 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 32.01 3h2v h ARG 987 CO 0.26 0.22 -0.37 0.82 -1.07 0.00 0.00 179.97 179.83 3h2v h ILE 988 N 0.00 0.13 -0.50 2.04 2.04 -1.74 0.36 117.51 119.83 3h2v h ILE 988 Ca -0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.92 3h2v h ILE 988 Cb 0.42 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 36.58 3h2v h ILE 988 CO 0.03 0.00 0.19 -0.65 0.00 0.00 0.00 178.15 177.72 3h2v h PRO 989 N -0.17 0.36 0.57 2.37 0.11 -1.79 -0.19 132.00 133.26 3h2v h PRO 989 Ca 0.22 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.28 3h2v h PRO 989 Cb 0.56 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.59 3h2v h PRO 989 CO -0.71 0.24 -0.28 1.15 -0.21 0.00 0.00 178.00 178.20 3h2v h THR 990 N 0.37 0.42 -0.79 -1.15 2.02 -1.42 -1.22 112.91 111.14 3h2v h THR 990 Ca 0.24 -0.12 0.14 0.00 0.77 0.00 0.00 66.41 67.44 3h2v h THR 990 Cb 0.24 0.46 -0.09 0.00 -1.74 0.00 0.00 68.15 67.03 3h2v h THR 990 CO -0.23 0.02 0.37 0.40 0.37 0.00 0.00 175.52 176.45 3h2v h ILE 991 N -0.85 0.72 0.00 3.11 2.04 -0.82 -0.36 117.51 121.34 3h2v h ILE 991 Ca -0.08 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 3h2v h ILE 991 Cb 0.62 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3h2v h ILE 991 CO 0.13 0.10 -0.19 0.77 0.00 0.00 0.00 178.15 178.96 3h2v h SER 992 N 0.55 0.00 0.16 1.72 4.64 -0.84 -1.85 113.55 117.93 3h2v h SER 992 Ca 0.43 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.44 3h2v h SER 992 Cb 0.60 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.73 3h2v h SER 992 CO -0.37 0.19 -1.31 0.74 -0.87 0.00 0.00 176.83 175.21 3h2v h THR 993 N 0.00 1.29 -0.78 2.95 2.02 0.12 -2.60 112.91 115.92 3h2v h THR 993 Ca -0.00 -2.53 0.03 0.00 0.77 0.00 0.00 66.41 64.68 3h2v h THR 993 Cb 0.59 2.82 -0.05 0.00 -1.74 0.00 0.00 68.15 69.77 3h2v h THR 993 CO 0.02 0.77 0.49 1.56 0.37 0.00 0.00 175.52 178.73 3h2v h GLN 994 N 0.22 0.93 -0.96 6.66 4.20 -0.99 -1.77 115.11 123.40 3h2v h GLN 994 Ca -0.21 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.48 3h2v h GLN 994 Cb 1.99 -0.21 -0.06 0.00 0.30 0.00 0.00 27.48 29.50 3h2v h GLN 994 CO 0.25 0.61 0.62 1.25 -0.67 0.00 0.00 178.83 180.89 3h2v h LEU 995 N 0.95 1.03 -0.77 1.46 5.85 -1.25 0.30 115.31 122.90 3h2v h LEU 995 Ca 0.31 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.94 3h2v h LEU 995 Cb 0.03 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3h2v h LEU 995 CO -0.12 0.70 0.02 0.11 -0.34 0.00 0.00 178.44 178.82 3h2v h LYS 996 N 1.20 0.96 -0.14 1.25 1.57 -0.98 -1.64 116.57 118.79 3h2v h LYS 996 Ca 0.38 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 3h2v h LYS 996 Cb 0.02 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 3h2v h LYS 996 CO -0.13 0.93 -0.19 0.82 -0.57 0.00 0.00 179.45 180.32 3h2v h ILE 997 N 0.89 1.36 -0.49 1.86 2.04 -0.50 -2.58 117.51 120.10 3h2v h ILE 997 Ca 0.17 -1.40 -0.04 0.00 1.00 0.00 0.00 64.86 64.59 3h2v h ILE 997 Cb 0.49 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.49 3h2v h ILE 997 CO 0.02 0.41 0.14 -0.07 0.00 0.00 0.00 178.15 178.65 3h2v h LEU 998 N -0.02 0.67 -0.68 1.44 3.38 -0.42 -2.46 115.31 117.22 3h2v h LEU 998 Ca 0.02 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 3h2v h LEU 998 Cb 0.74 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3h2v h LEU 998 CO 0.04 0.65 -0.65 0.77 0.09 0.00 0.00 178.44 179.34 3h2v h SER 999 N 0.71 0.07 -0.20 -0.43 4.64 -1.31 -2.27 113.55 114.76 3h2v h SER 999 Ca 0.16 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.40 3h2v h SER 999 Cb 0.23 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 3h2v h SER 999 CO -0.01 0.70 -0.02 0.74 -0.87 0.00 0.00 176.83 177.38 3h2v h THR 1000N 0.05 1.27 -0.39 2.95 2.02 -1.02 -0.67 112.91 117.11 3h2v h THR 1000Ca -0.01 -0.93 0.06 0.00 0.77 0.00 0.00 66.41 66.30 3h2v h THR 1000Cb 1.15 1.47 -0.05 0.00 -1.74 0.00 0.00 68.15 68.99 3h2v h THR 1000CO 0.09 0.28 0.10 -0.37 0.37 0.00 0.00 175.52 175.99 3h2v h VAL 1001N 0.11 0.82 -0.69 3.16 -1.51 -1.51 -1.40 116.25 115.24 3h2v h VAL 1001Ca 0.06 -0.08 0.03 0.00 -1.23 0.00 0.00 66.70 65.47 3h2v h VAL 1001Cb 0.43 0.57 -0.04 0.00 -2.13 0.00 0.00 31.29 30.12 3h2v h VAL 1001CO 0.01 0.04 0.46 0.50 -1.23 0.00 0.00 177.57 177.35 3h2v h LYS 1002N 0.23 0.83 -0.05 5.19 1.63 -1.21 -0.99 116.57 122.20 3h2v h LYS 1002Ca 0.19 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 3h2v h LYS 1002Cb 0.21 -0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 31.65 3h2v h LYS 1002CO -0.23 0.55 0.01 0.00 -3.45 0.00 0.00 179.45 176.33 3h2v h ALA 1003N 1.59 0.07 -0.16 5.00 0.00 -0.06 -2.20 119.26 123.50 3h2v h ALA 1003Ca 0.27 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3h2v h ALA 1003Cb 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3h2v h ALA 1003CO -0.07 -0.29 -0.32 1.79 0.00 0.00 0.00 179.25 180.36 3h2v h THR 1004N -0.17 1.28 -0.72 0.00 1.35 -1.14 -2.70 112.91 110.79 3h2v h THR 1004Ca 0.01 -1.33 -0.03 0.00 -0.55 0.00 0.00 66.41 64.51 3h2v h THR 1004Cb 0.28 1.51 -0.03 0.00 -1.73 0.00 0.00 68.15 68.18 3h2v h THR 1004CO 0.00 0.41 0.32 0.24 -0.25 0.00 0.00 175.52 176.24 3h2v h MET 1005N 0.27 1.05 -6.57 4.72 2.07 -1.03 -3.41 114.93 112.03 3h2v h MET 1005Ca 0.04 -0.16 -0.59 0.00 -2.07 0.00 0.00 59.70 56.92 3h2v h MET 1005Cb 0.70 -0.19 0.08 0.00 -1.87 0.00 0.00 31.60 30.33 3h2v h MET 1005CO 0.05 0.83 0.62 1.28 1.07 0.00 0.00 176.91 180.76 3h2v n LEU 1006N -4.31 3.02 0.00 1.22 4.77 -0.84 -1.68 117.00 119.17 3h2v n LEU 1006Ca 0.07 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.18 3h2v n LEU 1006Cb 0.15 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 39.83 3h2v n LEU 1006CO 0.39 -0.51 0.00 0.61 -1.33 0.00 0.00 177.39 176.55 3h2v n GLY 1007N 2.27 2.79 3.44 -0.72 0.00 -1.25 -4.99 105.19 106.74 3h2v n GLY 1007Ca 0.12 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 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 0.52 0.00 1.61 3.00 -0.68 -4.92 116.66 116.20 3h2v n ARG 1008Ca 0.00 0.19 0.00 0.00 -0.01 0.00 0.00 57.85 58.03 3h2v n ARG 1008Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 32.46 30.99 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 -0.88 0.00 0.09 0.55 -2.24 -1.26 -4.69 114.28 105.85 3h2v n THR 1009Ca 0.11 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.75 3h2v n THR 1009Cb 0.40 0.10 -0.09 0.00 -2.10 0.00 0.00 70.33 68.64 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 0.49 -3.32 3.42 7.08 -1.97 -3.46 115.58 117.82 3h2v h ASN 1010Ca 0.00 -0.45 -0.56 0.00 -3.08 0.00 0.00 56.30 52.21 3h2v h ASN 1010Cb 0.24 -0.15 0.10 0.00 -2.08 0.00 0.00 38.32 36.42 3h2v h ASN 1010CO 0.00 1.29 0.64 -0.38 -2.08 0.00 0.00 177.43 176.89 3h2v n ILE 1011N -3.65 1.67 -1.11 6.14 -0.00 -1.26 -4.94 119.36 116.21 3h2v n ILE 1011Ca -0.08 -0.42 -0.31 0.00 -0.00 0.00 0.00 62.75 61.94 3h2v n ILE 1011Cb 0.92 -1.70 0.11 0.00 -0.00 0.00 0.00 39.64 38.98 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 -0.05 3.96 0.05 4.38 0.15 -1.26 -4.91 113.70 116.03 3h2v s SER 1012Ca 0.58 2.00 -0.29 0.00 0.70 0.00 0.00 55.95 58.95 3h2v s SER 1012Cb -0.55 -2.54 -0.18 0.00 -1.71 0.00 0.00 66.02 61.04 3h2v s SER 1012CO 0.58 -2.40 1.49 0.44 1.20 0.00 0.00 173.24 174.55 3h2v h ASP 1013N -1.25 -0.57 -0.74 5.45 3.45 -1.97 -2.57 116.42 118.22 3h2v h ASP 1013Ca -0.44 -0.03 0.08 0.00 0.43 0.00 0.00 57.03 57.07 3h2v h ASP 1013Cb 1.25 0.15 -0.07 0.00 -0.56 0.00 0.00 39.33 40.10 3h2v h ASP 1013CO 0.48 -0.32 0.41 -0.33 -1.57 0.00 0.00 179.24 177.90 3h2v h GLU 1014N -0.79 0.68 -0.58 3.56 3.07 -1.99 -2.46 114.58 116.06 3h2v h GLU 1014Ca -0.07 -0.04 0.04 0.00 -0.50 0.00 0.00 59.36 58.79 3h2v h GLU 1014Cb 0.57 -0.15 -0.04 0.00 -0.84 0.00 0.00 28.75 28.28 3h2v h GLU 1014CO 0.11 0.45 0.33 1.49 -1.40 0.00 0.00 179.01 180.00 3h2v h GLU 1015N 0.70 0.63 -0.17 2.33 4.81 -1.92 -2.20 114.58 118.76 3h2v h GLU 1015Ca 0.35 -0.04 -0.21 0.00 -0.13 0.00 0.00 59.36 59.34 3h2v h GLU 1015Cb 0.31 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.56 3h2v h GLU 1015CO -0.24 0.42 -0.71 0.66 -0.73 0.00 0.00 179.01 178.41 3h2v h SER 1016N 0.65 0.91 1.13 1.04 4.64 -1.07 -1.38 113.55 119.46 3h2v h SER 1016Ca 0.25 -0.62 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3h2v h SER 1016Cb 0.09 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 3h2v h SER 1016CO -0.13 1.37 0.00 -0.08 -0.87 0.00 0.00 176.83 177.12 3h2v h GLU 1017N 0.50 0.00 0.02 4.77 4.57 -1.44 -2.18 114.58 120.82 3h2v h GLU 1017Ca -0.04 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 57.90 3h2v h GLU 1017Cb 1.34 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.90 3h2v h GLU 1017CO 0.15 0.00 -1.22 0.37 -1.18 0.00 0.00 179.01 177.12 3h2v h GLN 1018N 0.00 0.05 -0.44 1.92 5.75 -1.26 -2.42 115.11 118.71 3h2v h GLN 1018Ca 0.00 -0.09 -0.06 0.00 -0.15 0.00 0.00 58.65 58.35 3h2v h GLN 1018Cb 0.56 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.13 3h2v h GLN 1018CO 0.00 0.93 0.03 0.00 -2.65 0.00 0.00 178.83 177.13 3h2v h ALA 1019N 0.91 0.59 -0.41 3.38 0.00 -0.72 -2.89 119.26 120.12 3h2v h ALA 1019Ca -0.10 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 3h2v h ALA 1019Cb 1.86 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 3h2v h ALA 1019CO 0.13 0.36 -0.03 1.15 0.00 0.00 0.00 179.25 180.86 3h2v h THR 1020N 0.61 1.23 -0.00 0.00 2.02 -1.46 -2.98 112.91 112.33 3h2v h THR 1020Ca 0.13 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.33 3h2v h THR 1020Cb 0.45 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 3h2v h THR 1020CO 0.02 0.34 -0.07 -0.62 0.37 0.00 0.00 175.52 175.55 3h2v n GLU 1021N -4.22 0.32 0.03 6.66 1.02 -0.91 -2.26 120.64 121.29 3h2v n GLU 1021Ca 0.02 -0.06 0.02 0.00 -0.02 0.00 0.00 57.16 57.12 3h2v n GLU 1021Cb 0.30 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.14 3h2v n GLU 1021CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3h2v n MET 1022N -1.29 0.62 0.18 3.49 2.81 -1.11 -2.72 117.12 119.11 3h2v n MET 1022Ca 0.11 0.18 -0.09 0.00 -1.81 0.00 0.00 57.70 56.09 3h2v n MET 1022Cb 0.29 -1.78 -0.05 0.00 -0.71 0.00 0.00 33.22 30.97 3h2v n MET 1022CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3h2v h LEU 1023N 0.00 -0.45 -1.10 4.03 5.85 -1.49 -0.88 115.31 121.27 3h2v h LEU 1023Ca -0.15 -0.04 0.22 0.00 0.84 0.00 0.00 57.88 58.74 3h2v h LEU 1023Cb 1.50 0.12 -0.11 0.00 0.37 0.00 0.00 40.66 42.54 3h2v h LEU 1023CO 0.04 -0.01 0.62 0.58 -0.34 0.00 0.00 178.44 179.33 3h2v h VAL 1024N -1.10 0.63 -0.20 1.05 2.07 -1.59 0.42 116.25 117.53 3h2v h VAL 1024Ca -0.05 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 3h2v h VAL 1024Cb 0.46 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 3h2v h VAL 1024CO 0.09 0.12 -0.15 -0.74 0.02 0.00 0.00 177.57 176.90 3h2v h HIS 1025N 0.63 0.53 -0.52 1.57 -0.00 -1.52 0.70 115.15 116.55 3h2v h HIS 1025Ca 0.59 -0.15 -0.06 0.00 -0.00 0.00 0.00 60.37 60.75 3h2v h HIS 1025Cb 1.10 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 28.38 3h2v h HIS 1025CO -0.00 0.79 0.08 -0.97 -0.00 0.00 0.00 177.93 177.82 3h2v h ASN 1026N 0.13 0.83 -0.07 3.26 -0.73 0.30 -2.51 115.58 116.79 3h2v h ASN 1026Ca 0.04 -0.26 -0.00 0.00 1.87 0.00 0.00 56.30 57.94 3h2v h ASN 1026Cb 0.68 -0.22 -0.00 0.00 0.27 0.00 0.00 38.32 39.04 3h2v h ASN 1026CO 0.04 0.88 0.04 0.00 -0.37 0.00 0.00 177.43 178.02 3h2v h ALA 1027N 0.98 0.09 -0.81 1.57 0.00 -0.24 0.70 119.26 121.55 3h2v h ALA 1027Ca 0.16 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.15 3h2v h ALA 1027Cb 0.41 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.08 3h2v h ALA 1027CO 0.01 -0.35 0.38 1.96 0.00 0.00 0.00 179.25 181.25 3h2v h GLN 1028N 0.00 0.53 0.00 0.00 4.20 -0.75 -1.72 115.11 117.38 3h2v h GLN 1028Ca 0.03 -0.03 -0.19 0.00 0.06 0.00 0.00 58.65 58.52 3h2v h GLN 1028Cb 0.11 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 3h2v h GLN 1028CO -0.00 0.35 -0.87 -0.91 -0.67 0.00 0.00 178.83 176.73 3h2v h ASN 1029N 0.55 0.05 -0.30 1.46 -0.26 -1.10 -1.88 115.58 114.10 3h2v h ASN 1029Ca 0.44 -0.04 -0.04 0.00 -0.56 0.00 0.00 56.30 56.09 3h2v h ASN 1029Cb 0.64 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.87 3h2v h ASN 1029CO -0.37 0.90 0.03 0.25 -1.06 0.00 0.00 177.43 177.17 3h2v h LEU 1030N 0.02 0.50 -0.50 1.61 5.85 -0.27 -0.35 115.31 122.17 3h2v h LEU 1030Ca -0.02 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 3h2v h LEU 1030Cb 1.53 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.41 3h2v h LEU 1030CO 0.12 0.66 0.28 0.24 -0.34 0.00 0.00 178.44 179.39 3h2v h MET 1031N 0.33 0.69 -0.36 1.25 2.86 -1.34 -0.73 114.93 117.62 3h2v h MET 1031Ca 0.09 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 3h2v h MET 1031Cb 0.38 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 3h2v h MET 1031CO 0.01 0.53 0.08 1.96 1.06 0.00 0.00 176.91 180.56 3h2v h GLN 1032N 0.66 0.53 -0.06 1.72 1.08 -1.07 -1.61 115.11 116.36 3h2v h GLN 1032Ca 0.17 -0.09 -0.14 0.00 -1.45 0.00 0.00 58.65 57.15 3h2v h GLN 1032Cb 0.04 -0.09 0.01 0.00 -0.05 0.00 0.00 27.48 27.39 3h2v h GLN 1032CO -0.03 0.49 -0.50 0.77 -0.95 0.00 0.00 178.83 178.62 3h2v h SER 1033N 0.52 0.54 -0.66 1.46 0.02 -0.55 -2.11 113.55 112.78 3h2v h SER 1033Ca 0.12 -0.68 -0.01 0.00 -0.84 0.00 0.00 61.79 60.38 3h2v h SER 1033Cb 0.21 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 3h2v h SER 1033CO -0.00 1.14 0.36 0.58 -1.14 0.00 0.00 176.83 177.77 3h2v h VAL 1034N -0.01 1.21 0.00 2.27 2.07 -0.89 -0.64 116.25 120.26 3h2v h VAL 1034Ca -0.04 -0.53 -0.09 0.00 0.82 0.00 0.00 66.70 66.86 3h2v h VAL 1034Cb 1.16 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3h2v h VAL 1034CO 0.10 0.23 -0.43 0.07 0.02 0.00 0.00 177.57 177.56 3h2v h LYS 1035N 0.95 0.00 -0.01 1.57 2.10 -1.29 -1.87 116.57 118.02 3h2v h LYS 1035Ca 0.24 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.70 3h2v h LYS 1035Cb 0.04 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.36 3h2v h LYS 1035CO -0.04 0.43 -0.83 1.49 -2.00 0.00 0.00 179.45 178.50 3h2v h GLU 1036N 0.00 0.22 0.75 0.07 4.81 -0.89 -2.98 114.58 116.56 3h2v h GLU 1036Ca -0.00 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 58.97 3h2v h GLU 1036Cb 1.20 0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.64 3h2v h GLU 1036CO 0.06 0.93 -0.36 1.15 -0.73 0.00 0.00 179.01 180.05 3h2v h THR 1037N 0.13 0.10 -1.49 0.32 2.02 -0.76 -1.45 112.91 111.77 3h2v h THR 1037Ca -0.04 -0.22 0.44 0.00 0.77 0.00 0.00 66.41 67.36 3h2v h THR 1037Cb 1.43 0.12 -0.08 0.00 -1.74 0.00 0.00 68.15 67.89 3h2v h THR 1037CO 0.13 0.01 1.05 0.58 0.37 0.00 0.00 175.52 177.66 3h2v h VAL 1038N -1.20 0.23 0.14 3.16 2.07 -1.40 0.90 116.25 120.13 3h2v h VAL 1038Ca -0.10 -0.01 -0.27 0.00 0.82 0.00 0.00 66.70 67.13 3h2v h VAL 1038Cb 0.79 0.18 0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3h2v h VAL 1038CO 0.17 0.01 -1.32 0.03 0.02 0.00 0.00 177.57 176.48 3h2v h ARG 1039N 0.04 0.30 0.00 1.57 3.08 -1.34 -3.10 114.38 114.93 3h2v h ARG 1039Ca 0.74 -0.51 -0.04 0.00 0.07 0.00 0.00 59.98 60.24 3h2v h ARG 1039Cb 2.81 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 33.05 3h2v h ARG 1039CO -0.09 1.24 -0.21 0.93 -1.07 0.00 0.00 179.97 180.77 3h2v h GLU 1040N -0.24 0.00 -0.43 0.04 4.39 0.25 -2.17 114.58 116.42 3h2v h GLU 1040Ca -0.27 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.29 3h2v h GLU 1040Cb 1.80 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.44 3h2v h GLU 1040CO 0.11 0.21 -0.30 0.00 -1.16 0.00 0.00 179.01 177.87 3h2v h ALA 1041N 1.79 0.61 -0.38 3.43 0.00 0.58 -1.95 119.26 123.33 3h2v h ALA 1041Ca -0.00 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 3h2v h ALA 1041Cb 0.88 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3h2v h ALA 1041CO 0.03 0.66 -0.11 1.49 0.00 0.00 0.00 179.25 181.31 3h2v h GLU 1042N 0.79 0.75 -0.68 0.00 4.22 -1.42 -2.51 114.58 115.74 3h2v h GLU 1042Ca 0.08 -0.30 -0.01 0.00 0.08 0.00 0.00 59.36 59.22 3h2v h GLU 1042Cb 0.89 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.07 3h2v h GLU 1042CO 0.08 0.90 0.39 0.00 -2.18 0.00 0.00 179.01 178.20 3h2v h ALA 1043N 0.82 1.41 -0.02 2.92 0.00 -1.31 -1.97 119.26 121.12 3h2v h ALA 1043Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h2v h ALA 1043Cb 0.64 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3h2v h ALA 1043CO 0.04 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.79 3h2v n ALA 1044N -2.44 2.61 0.79 0.00 0.00 -0.74 -3.06 120.51 117.67 3h2v n ALA 1044Ca 0.07 -0.19 0.12 0.00 0.00 0.00 0.00 53.44 53.43 3h2v n ALA 1044Cb 0.08 -1.31 0.21 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.65 0.57 0.11 0.00 7.64 -0.74 -4.43 113.62 116.13 3h2v n SER 1045Ca 0.16 -0.07 -0.05 0.00 1.01 0.00 0.00 58.87 59.92 3h2v n SER 1045Cb 0.12 0.24 -0.02 0.00 -1.01 0.00 0.00 64.21 63.53 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 0.00 -0.92 0.44 2.04 -1.66 -3.38 117.51 114.02 3h2v h ILE 1046Ca 0.00 -0.40 -0.69 0.00 1.00 0.00 0.00 64.86 64.77 3h2v h ILE 1046Cb 0.62 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.61 3h2v h ILE 1046CO 0.00 0.00 2.22 0.29 0.00 0.00 0.00 178.15 180.66 3h2v n LYS 1047N -3.99 3.19 -2.97 2.37 4.01 -1.26 -4.98 118.16 114.52 3h2v n LYS 1047Ca -0.04 -3.27 -0.34 0.00 -0.51 0.00 0.00 58.31 54.14 3h2v n LYS 1047Cb 0.13 -3.41 -0.06 0.00 -0.51 0.00 0.00 35.03 31.17 3h2v n LYS 1047CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3h2v s ILE 1048N 3.72 4.48 -0.08 -0.18 1.01 -1.26 -2.27 121.20 126.62 3h2v s ILE 1048Ca 0.52 1.36 -0.24 0.00 0.00 0.00 0.00 60.65 62.28 3h2v s ILE 1048Cb 0.04 -3.76 -0.20 0.00 0.01 0.00 0.00 42.46 38.56 3h2v s ILE 1048CO 0.05 -0.05 0.92 -0.09 0.00 0.00 0.00 174.94 175.77 3h2v h ARG 1049N 2.67 -0.06 -3.69 2.79 2.43 -1.69 -3.46 114.38 113.37 3h2v h ARG 1049Ca -0.48 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.50 3h2v h ARG 1049Cb 1.18 0.01 -0.25 0.00 -0.42 0.00 0.00 29.97 30.50 3h2v h ARG 1049CO 0.64 0.57 -0.66 -0.08 -1.51 0.00 0.00 179.97 178.93 3h2v s THR 1050N -3.17 0.03 -1.02 0.20 -1.32 -1.26 -5.05 115.64 104.05 3h2v s THR 1050Ca -0.15 -0.29 0.08 0.00 -1.21 0.00 0.00 61.69 60.12 3h2v s THR 1050Cb -0.00 -0.15 0.07 0.00 -1.51 0.00 0.00 72.50 70.90 3h2v s THR 1050CO 0.59 -0.16 1.24 -0.67 -2.21 0.00 0.00 174.62 173.41 3h2v n ASP 1051N 2.55 0.00 -2.78 8.08 -0.08 -1.26 -3.85 116.55 119.21 3h2v n ASP 1051Ca -0.16 0.49 -0.02 0.00 -1.51 0.00 0.00 54.79 53.59 3h2v n ASP 1051Cb 0.58 -0.49 0.02 0.00 2.34 0.00 0.00 41.12 43.57 3h2v n ASP 1051CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3h2v s ALA 1052N -2.98 -3.71 0.33 -1.67 0.00 -1.26 -4.86 121.76 107.61 3h2v s ALA 1052Ca 0.04 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.51 3h2v s ALA 1052Cb 0.05 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.26 3h2v s ALA 1052CO 0.14 -2.42 0.00 0.41 0.00 0.00 0.00 175.76 173.89 3h2v n GLY 1053N 3.17 -4.67 3.85 0.00 0.00 -1.25 -5.16 105.19 101.13 3h2v n GLY 1053Ca 0.11 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.05 3.48 -0.09 1.61 5.36 -1.26 -5.06 117.98 119.97 3h2v s PHE 1054Ca 0.00 1.41 -0.13 0.00 -0.96 0.00 0.00 56.93 57.25 3h2v s PHE 1054Cb 0.00 -2.76 0.03 0.00 -0.34 0.00 0.00 43.02 39.95 3h2v s PHE 1054CO 0.00 -0.40 0.33 0.99 -1.46 0.00 0.00 175.22 174.68 3h2v s THR 1055N -2.69 0.02 -0.08 0.12 2.01 -1.26 -5.00 115.64 108.75 3h2v s THR 1055Ca 0.58 -0.15 -0.00 0.00 0.31 0.00 0.00 61.69 62.42 3h2v s THR 1055Cb -0.10 -0.52 -0.03 0.00 0.01 0.00 0.00 72.50 71.86 3h2v s THR 1055CO 0.35 -0.08 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.39 3h2v s LEU 1056N -0.30 3.29 -0.20 4.42 1.43 -1.26 -4.91 118.68 121.14 3h2v s LEU 1056Ca -0.04 0.01 -0.24 0.00 -1.03 0.00 0.00 54.13 52.83 3h2v s LEU 1056Cb -0.03 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 3h2v s LEU 1056CO 0.02 0.34 0.77 -0.60 0.23 0.00 0.00 176.35 177.11 3h2v s ARG 1057N -0.68 4.23 -0.79 1.70 3.52 -0.43 -4.98 118.95 121.52 3h2v s ARG 1057Ca 0.10 0.87 0.02 0.00 -0.13 0.00 0.00 55.73 56.60 3h2v s ARG 1057Cb -0.11 -3.60 0.21 0.00 -1.56 0.00 0.00 34.95 29.88 3h2v s ARG 1057CO 0.02 -0.37 0.69 0.91 -0.81 0.00 0.00 175.30 175.74 3h2v n TRP 1058N 5.46 3.67 -3.76 5.12 7.02 -1.26 -4.44 117.44 129.24 3h2v n TRP 1058Ca 0.03 -4.15 -0.38 0.00 -1.02 0.00 0.00 57.50 51.98 3h2v n TRP 1058Cb 0.49 -0.85 -0.12 0.00 -2.42 0.00 0.00 31.31 28.41 3h2v n TRP 1058CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 3h2v s VAL 1059N -1.65 3.69 -0.15 -0.99 1.01 -1.26 -5.05 120.40 116.01 3h2v s VAL 1059Ca 0.28 -1.25 -0.37 0.00 0.00 0.00 0.00 61.98 60.65 3h2v s VAL 1059Cb -0.02 -3.14 -0.14 0.00 0.00 0.00 0.00 36.38 33.08 3h2v s VAL 1059CO -0.12 -0.23 1.76 0.54 0.00 0.00 0.00 175.10 177.05 3h2v n ARG 1060N 4.78 1.64 -2.59 2.72 5.12 -1.26 -1.62 116.66 125.45 3h2v n ARG 1060Ca -0.12 0.60 -0.41 0.00 -1.93 0.00 0.00 57.85 55.99 3h2v n ARG 1060Cb 0.44 -2.35 -0.04 0.00 -1.16 0.00 0.00 32.46 29.35 3h2v n ARG 1060CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3h2v s LYS 1061N 3.36 4.59 0.05 5.56 2.20 0.83 -4.80 119.74 131.54 3h2v s LYS 1061Ca 0.94 1.61 -0.12 0.00 -0.36 0.00 0.00 55.97 58.04 3h2v s LYS 1061Cb -0.88 -3.34 0.01 0.00 -1.51 0.00 0.00 37.83 32.11 3h2v s LYS 1061CO 0.57 0.05 0.25 0.99 -0.36 0.00 0.00 175.35 176.85 3h2v s THR 1062N 0.19 0.10 -2.73 3.43 2.01 -1.26 -4.73 115.64 112.65 3h2v s THR 1062Ca 0.50 -0.82 0.26 0.00 0.31 0.00 0.00 61.69 61.95 3h2v s THR 1062Cb -0.27 -1.00 0.38 0.00 0.01 0.00 0.00 72.50 71.63 3h2v s THR 1062CO 0.32 -0.45 1.52 -0.81 -0.69 0.00 0.00 174.62 174.51