#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p4i s LEU 839 N 0.00 2.05 0.52 7.52 -0.00 0.06 -4.94 118.68 123.89 2p4i s LEU 839 Ca 0.00 -0.29 -0.21 0.00 -0.00 0.00 0.00 54.13 53.63 2p4i s LEU 839 Cb 0.00 -0.73 -0.06 0.00 -0.00 0.00 0.00 46.19 45.40 2p4i s LEU 839 CO 0.00 0.16 1.19 -0.75 -0.00 0.00 0.00 176.35 176.95 2p4i s LYS 840 N -0.47 3.42 -0.01 1.48 2.47 -1.26 -0.39 119.74 124.98 2p4i s LYS 840 Ca 0.05 1.81 -0.28 0.00 -1.56 0.00 0.00 55.97 55.99 2p4i s LYS 840 Cb -0.06 -2.20 0.10 0.00 -1.46 0.00 0.00 37.83 34.21 2p4i s LYS 840 CO -0.00 -0.84 0.83 0.00 0.16 0.00 0.00 175.35 175.50 2p4i s ALA 841 N -1.57 -1.80 -0.07 3.13 0.00 -0.58 -4.88 121.76 115.99 2p4i s ALA 841 Ca 0.70 1.08 -0.16 0.00 0.00 0.00 0.00 51.96 53.58 2p4i s ALA 841 Cb -0.30 0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.98 2p4i s ALA 841 CO 0.34 -0.58 0.41 1.03 0.00 0.00 0.00 175.76 176.97 2p4i s ARG 842 N -2.54 4.12 0.00 0.00 1.81 -1.26 -0.69 118.95 120.39 2p4i s ARG 842 Ca 0.01 0.38 0.00 0.00 -1.72 0.00 0.00 55.73 54.39 2p4i s ARG 842 Cb -0.01 -3.33 0.00 0.00 -0.45 0.00 0.00 34.95 31.16 2p4i s ARG 842 CO -0.05 0.43 0.00 0.44 -0.68 0.00 0.00 175.30 175.44 2p4i n ILE 843 N 2.76 0.00 0.00 1.52 -5.35 -1.26 -4.93 119.36 112.10 2p4i n ILE 843 Ca -0.11 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 2p4i n ILE 843 Cb 0.52 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 2p4i n ILE 843 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 2p4i n ARG 849 N -0.59 0.00 0.00 6.28 0.00 -1.26 -4.85 116.66 116.24 2p4i n ARG 849 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2p4i n ARG 849 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 2p4i n ARG 849 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 2p4i n MET 850 N 0.00 0.00 -2.15 2.89 1.56 -1.26 -4.70 117.12 113.46 2p4i n MET 850 Ca 0.00 0.20 -0.42 0.00 -0.27 0.00 0.00 57.70 57.21 2p4i n MET 850 Cb 0.00 -1.18 -0.03 0.00 2.15 0.00 0.00 33.22 34.16 2p4i n MET 850 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2p4i s ASP 851 N -1.99 6.79 0.03 6.12 -0.00 -1.26 -4.14 116.67 122.22 2p4i s ASP 851 Ca 0.00 2.20 0.01 0.00 -0.00 0.00 0.00 52.55 54.76 2p4i s ASP 851 Cb 0.00 -2.56 -0.02 0.00 -0.00 0.00 0.00 42.92 40.34 2p4i s ASP 851 CO 0.00 -0.77 -0.05 0.00 -0.00 0.00 0.00 175.17 174.35 2p4i s ALA 852 N 2.52 0.37 -0.33 5.23 0.00 0.13 -1.62 121.76 128.06 2p4i s ALA 852 Ca 0.66 -0.71 -0.07 0.00 0.00 0.00 0.00 51.96 51.83 2p4i s ALA 852 Cb -0.33 0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.92 2p4i s ALA 852 CO 0.28 -0.10 0.12 0.00 0.00 0.00 0.00 175.76 176.05 2p4i s ALA 853 N -1.56 3.10 -0.18 0.00 0.00 0.88 -1.53 121.76 122.48 2p4i s ALA 853 Ca -0.12 -1.62 -0.07 0.00 0.00 0.00 0.00 51.96 50.15 2p4i s ALA 853 Cb -0.09 -2.29 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 2p4i s ALA 853 CO -0.01 -1.18 0.06 0.42 0.00 0.00 0.00 175.76 175.05 2p4i s ILE 854 N 1.47 4.75 -0.09 0.00 1.01 0.48 -2.27 121.20 126.55 2p4i s ILE 854 Ca 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.59 2p4i s ILE 854 Cb -0.18 -3.13 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 2p4i s ILE 854 CO 0.03 0.47 -0.01 -0.75 0.00 0.00 0.00 174.94 174.68 2p4i s LYS 855 N 0.31 3.03 -0.29 2.79 2.20 -0.48 -0.76 119.74 126.55 2p4i s LYS 855 Ca 0.03 -0.43 -0.02 0.00 -0.36 0.00 0.00 55.97 55.19 2p4i s LYS 855 Cb -0.12 -2.79 0.09 0.00 -1.51 0.00 0.00 37.83 33.50 2p4i s LYS 855 CO 0.00 0.65 0.10 -0.98 -0.36 0.00 0.00 175.35 174.76 2p4i s ARG 856 N -0.73 0.58 0.00 4.03 3.03 -1.26 0.39 118.95 124.98 2p4i s ARG 856 Ca 0.11 -0.85 0.00 0.00 2.03 0.00 0.00 55.73 57.02 2p4i s ARG 856 Cb -0.12 -1.81 0.00 0.00 -1.03 0.00 0.00 34.95 32.00 2p4i s ARG 856 CO 0.02 -0.94 0.00 0.41 -1.13 0.00 0.00 175.30 173.66 2p4i n GLY 871 N 4.97 0.00 0.15 3.88 0.00 -1.26 -4.79 105.19 108.14 2p4i n GLY 871 Ca -0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.10 2p4i n GLY 871 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2p4i h GLU 872 N 0.00 0.00 0.00 1.61 5.08 -1.99 -3.36 114.58 115.92 2p4i h GLU 872 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2p4i h GLU 872 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2p4i h GLU 872 CO 0.00 0.00 -0.20 1.25 -1.00 0.00 0.00 179.01 179.06 2p4i h LEU 873 N 0.00 0.00 -0.58 1.33 5.85 -2.02 -2.57 115.31 117.33 2p4i h LEU 873 Ca 0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 2p4i h LEU 873 Cb 0.96 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 2p4i h LEU 873 CO 0.00 0.20 0.01 -0.08 -0.34 0.00 0.00 178.44 178.22 2p4i h GLU 874 N 0.00 1.01 -0.14 1.25 4.81 -2.01 -2.55 114.58 116.95 2p4i h GLU 874 Ca -0.00 -0.32 -0.14 0.00 -0.13 0.00 0.00 59.36 58.77 2p4i h GLU 874 Cb 0.37 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2p4i h GLU 874 CO 0.03 1.00 -0.47 0.28 -0.73 0.00 0.00 179.01 179.12 2p4i h VAL 875 N 0.90 1.35 -0.51 0.32 2.07 -1.71 -2.85 116.25 115.82 2p4i h VAL 875 Ca 0.16 -1.75 -0.06 0.00 0.82 0.00 0.00 66.70 65.87 2p4i h VAL 875 Cb 0.54 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 2p4i h VAL 875 CO 0.03 0.53 0.08 -0.07 0.02 0.00 0.00 177.57 178.16 2p4i h LEU 876 N 0.21 0.81 -1.10 2.57 3.38 -1.52 -2.90 115.31 116.76 2p4i h LEU 876 Ca -0.02 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 2p4i h LEU 876 Cb 1.10 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 2p4i h LEU 876 CO 0.10 0.87 0.23 0.00 0.09 0.00 0.00 178.44 179.72 2p4i n LYS 878 N -4.32 0.21 0.23 0.00 4.76 -1.08 -2.58 118.16 115.38 2p4i n LYS 878 Ca 0.05 0.22 0.11 0.00 -2.87 0.00 0.00 58.31 55.82 2p4i n LYS 878 Cb 0.17 -1.76 0.43 0.00 -1.84 0.00 0.00 35.03 32.03 2p4i n LYS 878 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2p4i h LEU 879 N 0.00 0.00 0.00 -0.35 3.38 -1.30 -3.49 115.31 113.55 2p4i h LEU 879 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2p4i h LEU 879 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2p4i h LEU 879 CO 0.00 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.31 2p4i n GLY 880 N 0.35 1.37 3.10 0.83 0.00 -1.07 -4.83 105.19 104.95 2p4i n GLY 880 Ca 0.01 -0.67 -0.17 0.00 0.00 0.00 0.00 46.02 45.19 2p4i n GLY 880 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2p4i s HIS 881 N 0.00 0.96 -0.28 1.61 0.09 -1.26 -4.83 115.29 111.58 2p4i s HIS 881 Ca 0.00 -0.38 -0.22 0.00 -0.00 0.00 0.00 55.06 54.46 2p4i s HIS 881 Cb 0.00 -0.57 0.10 0.00 -0.00 0.00 0.00 32.58 32.11 2p4i s HIS 881 CO 0.00 -0.00 0.88 -1.58 -0.00 0.00 0.00 174.74 174.03 2p4i s HIS 882 N -0.98 -0.69 0.02 1.40 5.04 -1.26 -5.04 115.29 113.78 2p4i s HIS 882 Ca -0.02 1.54 0.24 0.00 -1.54 0.00 0.00 55.06 55.28 2p4i s HIS 882 Cb -0.08 0.39 1.32 0.00 0.04 0.00 0.00 32.58 34.25 2p4i s HIS 882 CO 0.01 -0.33 1.73 -1.35 -2.34 0.00 0.00 174.74 172.45 2p4i h PRO 883 N 5.28 0.00 -0.33 2.88 0.11 -1.97 -1.88 132.00 136.09 2p4i h PRO 883 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2p4i h PRO 883 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2p4i h PRO 883 CO 0.12 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.00 2p4i n ASN 884 N -2.38 3.38 -4.55 -2.05 5.03 -1.26 -4.78 115.26 108.64 2p4i n ASN 884 Ca -0.02 -2.41 -0.25 0.00 0.87 0.00 0.00 54.58 52.77 2p4i n ASN 884 Cb 0.10 -0.37 -0.11 0.00 -1.02 0.00 0.00 39.78 38.39 2p4i n ASN 884 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 2p4i s ILE 885 N -1.73 1.81 0.68 2.41 -4.36 -0.71 -0.94 121.20 118.35 2p4i s ILE 885 Ca 0.32 -2.04 -0.17 0.00 -0.26 0.00 0.00 60.65 58.50 2p4i s ILE 885 Cb 0.21 -2.84 0.01 0.00 1.25 0.00 0.00 42.46 41.09 2p4i s ILE 885 CO 0.14 -0.06 1.22 0.27 0.24 0.00 0.00 174.94 176.74 2p4i s ILE 886 N -2.86 2.36 -0.33 8.37 -5.25 -0.91 -4.72 121.20 117.86 2p4i s ILE 886 Ca 0.34 0.20 -0.06 0.00 -0.99 0.00 0.00 60.65 60.15 2p4i s ILE 886 Cb 0.08 -2.91 0.04 0.00 2.95 0.00 0.00 42.46 42.62 2p4i s ILE 886 CO 0.17 -0.07 0.08 0.21 -1.79 0.00 0.00 174.94 173.54 2p4i s ASN 887 N -1.80 5.23 -0.50 4.36 2.47 -1.26 -4.83 114.94 118.61 2p4i s ASN 887 Ca 0.77 -1.15 -0.28 0.00 0.42 0.00 0.00 52.86 52.61 2p4i s ASN 887 Cb -0.31 -1.84 0.01 0.00 -1.45 0.00 0.00 41.25 37.66 2p4i s ASN 887 CO 0.41 -0.31 1.41 -0.22 -3.72 0.00 0.00 177.10 174.67 2p4i s LEU 888 N 1.38 3.48 -0.10 3.21 2.96 -1.26 -1.76 118.68 126.58 2p4i s LEU 888 Ca -0.02 0.51 -0.25 0.00 -0.22 0.00 0.00 54.13 54.14 2p4i s LEU 888 Cb -0.19 -3.26 -0.28 0.00 0.50 0.00 0.00 46.19 42.95 2p4i s LEU 888 CO 0.02 -1.59 0.80 -0.07 -1.32 0.00 0.00 176.35 174.19 2p4i h LEU 889 N 12.73 0.23 0.00 -0.68 3.38 -1.08 -3.49 115.31 126.40 2p4i h LEU 889 Ca -0.27 -0.96 0.00 0.00 0.09 0.00 0.00 57.88 56.74 2p4i h LEU 889 Cb 1.10 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2p4i h LEU 889 CO 1.14 1.22 0.00 0.61 0.09 0.00 0.00 178.44 181.50 2p4i n GLY 890 N 1.64 -0.11 3.51 0.83 0.00 -1.19 -5.03 105.19 104.84 2p4i n GLY 890 Ca -0.13 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 2p4i n GLY 890 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p4i s ALA 891 N -2.00 0.49 0.00 4.61 0.00 -1.26 -0.76 121.76 122.84 2p4i s ALA 891 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.61 2p4i s ALA 891 Cb 0.00 1.13 0.00 0.00 0.00 0.00 0.00 23.12 24.25 2p4i s ALA 891 CO 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 175.76 174.96 2p4i n GLU 893 N -0.54 0.00 0.00 0.00 2.13 -1.26 -2.29 120.64 118.68 2p4i n GLU 893 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2p4i n GLU 893 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2p4i n GLU 893 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 2p4i n HIS 894 N 0.00 0.00 0.00 4.31 -0.00 -1.26 -5.26 115.22 113.01 2p4i n HIS 894 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2p4i n HIS 894 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2p4i n HIS 894 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2p4i n TYR 899 N 0.00 0.00 -3.56 -1.40 4.01 -0.97 -5.36 117.16 109.89 2p4i n TYR 899 Ca 0.00 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.37 2p4i n TYR 899 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 38.94 2p4i n TYR 899 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2p4i s LEU 900 N 0.00 4.13 -0.31 7.72 1.43 0.16 -2.76 118.68 129.05 2p4i s LEU 900 Ca 0.00 0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 53.24 2p4i s LEU 900 Cb 0.00 -2.26 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 2p4i s LEU 900 CO 0.00 0.01 0.22 0.00 0.23 0.00 0.00 176.35 176.81 2p4i s ALA 901 N 1.15 3.51 -0.01 4.21 0.00 0.06 -1.37 121.76 129.31 2p4i s ALA 901 Ca 0.12 -1.25 0.08 0.00 0.00 0.00 0.00 51.96 50.90 2p4i s ALA 901 Cb -0.14 -2.57 -0.02 0.00 0.00 0.00 0.00 23.12 20.39 2p4i s ALA 901 CO 0.06 -0.78 -0.24 0.96 0.00 0.00 0.00 175.76 175.75 2p4i s ILE 902 N 1.74 1.93 -0.01 0.00 -4.36 -0.96 -0.38 121.20 119.15 2p4i s ILE 902 Ca 0.06 -1.10 -0.35 0.00 -0.26 0.00 0.00 60.65 59.01 2p4i s ILE 902 Cb -0.17 -1.61 -0.13 0.00 1.25 0.00 0.00 42.46 41.80 2p4i s ILE 902 CO 0.11 0.50 1.74 1.21 0.24 0.00 0.00 174.94 178.74 2p4i n GLU 903 N 2.35 2.04 -2.26 0.37 2.13 -0.73 -0.08 120.64 124.47 2p4i n GLU 903 Ca -0.16 0.75 -0.41 0.00 0.66 0.00 0.00 57.16 58.00 2p4i n GLU 903 Cb 0.52 -2.54 -0.03 0.00 0.27 0.00 0.00 31.44 29.65 2p4i n GLU 903 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 2p4i s TYR 904 N 2.80 3.26 -0.41 4.31 5.04 -0.64 -4.71 117.35 127.00 2p4i s TYR 904 Ca 0.88 1.50 -0.12 0.00 -2.44 0.00 0.00 57.07 56.89 2p4i s TYR 904 Cb -0.73 -3.53 0.05 0.00 0.35 0.00 0.00 41.96 38.10 2p4i s TYR 904 CO 0.48 -1.39 0.26 0.00 -1.34 0.00 0.00 175.55 173.56 2p4i s ALA 905 N -1.00 3.35 0.43 3.97 0.00 -1.26 -4.83 121.76 122.42 2p4i s ALA 905 Ca 0.48 -1.89 0.27 0.00 0.00 0.00 0.00 51.96 50.82 2p4i s ALA 905 Cb -0.37 -2.73 1.45 0.00 0.00 0.00 0.00 23.12 21.47 2p4i s ALA 905 CO 0.47 -1.52 2.08 -1.35 0.00 0.00 0.00 175.76 175.44 2p4i h PRO 906 N 8.51 0.00 -0.22 0.00 0.11 -1.86 -2.08 132.00 136.45 2p4i h PRO 906 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2p4i h PRO 906 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2p4i h PRO 906 CO 0.73 0.11 0.00 0.72 -0.21 0.00 0.00 178.00 179.36 2p4i n HIS 907 N -3.70 0.28 -5.00 0.65 8.25 -1.07 -5.06 115.22 109.56 2p4i n HIS 907 Ca -0.02 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 2p4i n HIS 907 Cb 0.23 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.34 2p4i n HIS 907 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2p4i n GLY 908 N 1.27 0.56 3.77 -1.41 0.00 -0.78 -4.71 105.19 103.89 2p4i n GLY 908 Ca 0.17 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 2p4i n GLY 908 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p4i s ASN 909 N -4.00 6.30 0.20 1.61 2.20 -1.26 -1.27 114.94 118.72 2p4i s ASN 909 Ca 0.00 2.28 -0.11 0.00 -0.94 0.00 0.00 52.86 54.09 2p4i s ASN 909 Cb 0.00 -2.60 0.15 0.00 -2.00 0.00 0.00 41.25 36.80 2p4i s ASN 909 CO 0.00 -0.83 1.87 0.25 -2.94 0.00 0.00 177.10 175.45 2p4i h LEU 910 N 2.19 0.80 0.05 3.54 5.85 -0.64 -2.31 115.31 124.79 2p4i h LEU 910 Ca -0.49 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.22 2p4i h LEU 910 Cb 1.24 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 2p4i h LEU 910 CO 0.61 0.57 -0.32 0.25 -0.34 0.00 0.00 178.44 179.21 2p4i h LEU 911 N 0.95 -0.97 -1.18 2.25 5.85 -1.81 0.54 115.31 120.93 2p4i h LEU 911 Ca 0.27 0.10 0.15 0.00 0.84 0.00 0.00 57.88 59.24 2p4i h LEU 911 Cb -0.08 0.36 -0.08 0.00 0.37 0.00 0.00 40.66 41.23 2p4i h LEU 911 CO -0.07 -0.33 0.60 0.44 -0.34 0.00 0.00 178.44 178.74 2p4i h ASP 912 N -0.44 0.74 -0.01 1.25 3.32 -1.90 -0.31 116.42 119.07 2p4i h ASP 912 Ca 0.00 0.05 -0.14 0.00 0.02 0.00 0.00 57.03 56.96 2p4i h ASP 912 Cb 0.45 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 2p4i h ASP 912 CO -0.19 0.36 -0.45 0.15 -1.72 0.00 0.00 179.24 177.39 2p4i h PHE 913 N 0.77 0.67 -0.28 4.55 3.57 -0.83 0.05 116.94 125.44 2p4i h PHE 913 Ca 0.48 -0.21 -0.13 0.00 3.53 0.00 0.00 57.97 61.65 2p4i h PHE 913 Cb 0.71 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 2p4i h PHE 913 CO -0.00 0.90 -0.36 -0.07 -2.23 0.00 0.00 178.31 176.55 2p4i h LEU 914 N 0.45 0.66 -0.28 0.59 3.38 0.15 -3.13 115.31 117.12 2p4i h LEU 914 Ca 0.03 -0.28 -0.21 0.00 0.09 0.00 0.00 57.88 57.52 2p4i h LEU 914 Cb 0.96 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2p4i h LEU 914 CO 0.09 0.96 -0.79 0.03 0.09 0.00 0.00 178.44 178.81 2p4i h ARG 915 N 0.52 0.54 0.00 1.13 3.08 -0.96 -3.09 114.38 115.61 2p4i h ARG 915 Ca 0.05 -0.47 0.00 0.00 0.07 0.00 0.00 59.98 59.64 2p4i h ARG 915 Cb 0.86 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.02 2p4i h ARG 915 CO 0.07 1.09 0.00 1.63 -1.07 0.00 0.00 179.97 181.70 2p4i n LYS 916 N -3.86 0.04 0.00 0.04 5.02 -0.01 -2.04 118.16 117.36 2p4i n LYS 916 Ca -0.06 0.34 0.13 0.00 -2.02 0.00 0.00 58.31 56.70 2p4i n LYS 916 Cb 0.75 -1.59 0.35 0.00 -0.02 0.00 0.00 35.03 34.51 2p4i n LYS 916 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2p4i n SER 917 N -1.67 0.58 -4.57 4.39 3.41 -1.17 -4.67 113.62 109.93 2p4i n SER 917 Ca 0.02 -0.37 -0.28 0.00 -0.26 0.00 0.00 58.87 57.98 2p4i n SER 917 Cb 0.15 0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 64.17 2p4i n SER 917 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2p4i s ARG 918 N -2.83 2.62 0.28 4.33 0.52 -0.86 -2.14 118.95 120.86 2p4i s ARG 918 Ca 0.16 -0.77 0.15 0.00 -0.52 0.00 0.00 55.73 54.75 2p4i s ARG 918 Cb 0.18 -5.17 0.13 0.00 0.52 0.00 0.00 34.95 30.61 2p4i s ARG 918 CO 0.62 -3.56 1.47 -0.24 0.02 0.00 0.00 175.30 173.61 2p4i h VAL 919 N 6.71 0.96 -0.86 3.52 3.04 -1.80 -2.39 116.25 125.43 2p4i h VAL 919 Ca 0.17 -2.25 0.03 0.00 -1.01 0.00 0.00 66.70 63.64 2p4i h VAL 919 Cb 0.97 2.40 -0.05 0.00 -2.01 0.00 0.00 31.29 32.60 2p4i h VAL 919 CO 1.23 0.53 0.56 0.25 -1.01 0.00 0.00 177.57 179.13 2p4i h LEU 920 N 0.00 0.93 0.18 3.16 5.85 -1.80 0.74 115.31 124.37 2p4i h LEU 920 Ca -0.01 -0.01 -0.30 0.00 0.84 0.00 0.00 57.88 58.40 2p4i h LEU 920 Cb 1.36 -0.22 0.02 0.00 0.37 0.00 0.00 40.66 42.19 2p4i h LEU 920 CO 0.07 0.64 -1.35 -0.33 -0.34 0.00 0.00 178.44 177.13 2p4i h GLU 921 N 1.08 0.38 0.17 1.25 5.08 -1.82 -3.16 114.58 117.56 2p4i h GLU 921 Ca 0.34 -0.65 -0.25 0.00 -1.00 0.00 0.00 59.36 57.79 2p4i h GLU 921 Cb 0.01 0.24 0.02 0.00 0.50 0.00 0.00 28.75 29.52 2p4i h GLU 921 CO -0.10 1.31 -1.17 1.15 -1.00 0.00 0.00 179.01 179.21 2p4i h THR 922 N 0.10 1.31 -1.78 1.13 2.02 -1.18 -3.43 112.91 111.08 2p4i h THR 922 Ca -0.19 -2.54 -0.52 0.00 0.77 0.00 0.00 66.41 63.93 2p4i h THR 922 Cb 2.06 3.03 -0.36 0.00 -1.74 0.00 0.00 68.15 71.13 2p4i h THR 922 CO 0.23 0.75 -1.05 -0.67 0.37 0.00 0.00 175.52 175.15 2p4i n ASP 923 N -3.95 -0.10 -0.29 4.18 -0.08 0.26 -5.01 116.55 111.56 2p4i n ASP 923 Ca -0.18 -2.79 -0.01 0.00 -1.51 0.00 0.00 54.79 50.29 2p4i n ASP 923 Cb 0.92 -0.36 0.17 0.00 2.34 0.00 0.00 41.12 44.19 2p4i n ASP 923 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2p4i h PRO 924 N 3.89 1.15 0.01 -0.67 0.11 -1.55 -0.39 132.00 134.55 2p4i h PRO 924 Ca 0.05 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 2p4i h PRO 924 Cb 0.91 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.77 2p4i h PRO 924 CO 0.45 0.79 -0.00 0.00 -0.21 0.00 0.00 178.00 179.02 2p4i h ALA 925 N 1.42 -0.01 -0.92 -0.75 0.00 -1.89 0.96 119.26 118.06 2p4i h ALA 925 Ca 0.31 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.24 2p4i h ALA 925 Cb -0.08 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 2p4i h ALA 925 CO -0.06 -0.49 0.60 0.35 0.00 0.00 0.00 179.25 179.64 2p4i h PHE 926 N -0.03 1.13 0.18 0.00 3.04 -1.64 -2.59 116.94 117.02 2p4i h PHE 926 Ca -0.00 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 2p4i h PHE 926 Cb 0.03 -0.38 0.00 0.00 2.56 0.00 0.00 35.95 38.17 2p4i h PHE 926 CO -0.07 0.66 -0.09 0.00 -2.02 0.00 0.00 178.31 176.79 2p4i h ALA 927 N 1.37 -0.24 -0.03 2.41 0.00 -0.76 -2.49 119.26 119.52 2p4i h ALA 927 Ca 0.36 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2p4i h ALA 927 Cb -0.02 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2p4i h ALA 927 CO -0.11 -0.45 -0.18 0.82 0.00 0.00 0.00 179.25 179.33 2p4i h ILE 928 N -0.63 0.56 -0.66 0.00 2.04 -0.85 0.54 117.51 118.51 2p4i h ILE 928 Ca -0.02 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.00 2p4i h ILE 928 Cb 0.46 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 2p4i h ILE 928 CO 0.04 0.00 0.46 0.00 0.00 0.00 0.00 178.15 178.65 2p4i h ALA 929 N 0.66 2.36 -0.02 1.87 0.00 -1.49 -1.35 119.26 121.29 2p4i h ALA 929 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2p4i h ALA 929 Cb 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2p4i h ALA 929 CO -0.19 -0.55 -0.21 0.09 0.00 0.00 0.00 179.25 178.39 2p4i n ASN 930 N -4.41 2.51 -3.70 0.00 3.02 -0.76 -4.97 115.26 106.95 2p4i n ASN 930 Ca 0.12 -1.75 -0.28 0.00 -0.03 0.00 0.00 54.58 52.64 2p4i n ASN 930 Cb 0.60 0.22 0.03 0.00 -0.61 0.00 0.00 39.78 40.02 2p4i n ASN 930 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2p4i n SER 931 N 0.70 -4.94 -4.38 6.41 7.64 0.11 -4.97 113.62 114.19 2p4i n SER 931 Ca 0.11 -0.64 -0.32 0.00 1.01 0.00 0.00 58.87 59.04 2p4i n SER 931 Cb 0.52 -3.96 -0.15 0.00 -1.01 0.00 0.00 64.21 59.62 2p4i n SER 931 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2p4i s THR 932 N -3.22 2.46 -0.09 0.44 -1.32 -0.90 -1.19 115.64 111.81 2p4i s THR 932 Ca 0.58 -1.00 0.20 0.00 -1.21 0.00 0.00 61.69 60.26 2p4i s THR 932 Cb -0.29 -1.91 -0.30 0.00 -1.51 0.00 0.00 72.50 68.49 2p4i s THR 932 CO 0.71 0.55 0.32 0.00 -2.21 0.00 0.00 174.62 174.00 2p4i n ALA 933 N 2.29 2.31 -2.91 11.08 0.00 0.27 -4.53 120.51 129.03 2p4i n ALA 933 Ca -0.16 -0.81 -0.12 0.00 0.00 0.00 0.00 53.44 52.35 2p4i n ALA 933 Cb 0.52 -0.53 -0.13 0.00 0.00 0.00 0.00 19.45 19.31 2p4i n ALA 933 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2p4i s SER 934 N -4.84 0.02 0.20 0.00 0.15 -1.21 -2.88 113.70 105.13 2p4i s SER 934 Ca -0.09 -0.05 0.23 0.00 0.70 0.00 0.00 55.95 56.75 2p4i s SER 934 Cb 0.11 0.06 0.91 0.00 -1.71 0.00 0.00 66.02 65.38 2p4i s SER 934 CO 0.86 -0.06 1.70 0.35 1.20 0.00 0.00 173.24 177.29 2p4i n THR 935 N 2.81 0.76 -3.54 6.45 -2.24 -0.91 -4.72 114.28 112.89 2p4i n THR 935 Ca -0.14 0.12 -0.32 0.00 -2.27 0.00 0.00 64.05 61.43 2p4i n THR 935 Cb 0.59 -0.99 -0.05 0.00 -2.10 0.00 0.00 70.33 67.78 2p4i n THR 935 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2p4i s LEU 936 N -4.19 4.24 0.51 3.22 1.43 -1.26 -5.11 118.68 117.52 2p4i s LEU 936 Ca 0.06 0.78 0.06 0.00 -1.03 0.00 0.00 54.13 54.00 2p4i s LEU 936 Cb 0.10 -3.43 0.04 0.00 0.03 0.00 0.00 46.19 42.93 2p4i s LEU 936 CO 0.42 0.01 0.70 -0.94 0.23 0.00 0.00 176.35 176.78 2p4i s SER 937 N -2.29 5.34 0.38 2.29 1.04 -1.26 -4.94 113.70 114.26 2p4i s SER 937 Ca 0.43 -0.37 0.09 0.00 0.48 0.00 0.00 55.95 56.58 2p4i s SER 937 Cb -0.12 -0.51 0.75 0.00 0.10 0.00 0.00 66.02 66.25 2p4i s SER 937 CO 0.22 -1.07 1.89 -1.28 0.98 0.00 0.00 173.24 173.99 2p4i h SER 938 N 0.29 0.21 0.12 7.02 0.87 -1.97 -1.18 113.55 118.92 2p4i h SER 938 Ca -0.39 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.12 2p4i h SER 938 Cb 1.29 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2p4i h SER 938 CO 0.46 0.40 -0.06 -0.61 -0.53 0.00 0.00 176.83 176.49 2p4i h GLN 939 N 0.21 -0.16 -0.22 2.24 5.75 -1.95 -1.74 115.11 119.24 2p4i h GLN 939 Ca 0.04 0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.55 2p4i h GLN 939 Cb 0.43 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.00 2p4i h GLN 939 CO 0.03 -0.00 0.13 1.96 -2.65 0.00 0.00 178.83 178.30 2p4i h GLN 940 N -0.29 0.30 -0.17 1.69 4.20 -1.91 -0.65 115.11 118.28 2p4i h GLN 940 Ca -0.02 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.71 2p4i h GLN 940 Cb 0.23 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.91 2p4i h GLN 940 CO 0.03 0.24 -0.10 -0.07 -0.67 0.00 0.00 178.83 178.26 2p4i h LEU 941 N 0.27 -0.33 -0.86 1.46 3.38 -1.23 -0.74 115.31 117.27 2p4i h LEU 941 Ca 0.08 0.08 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 2p4i h LEU 941 Cb 0.02 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2p4i h LEU 941 CO -0.02 -0.13 -0.41 -0.07 0.09 0.00 0.00 178.44 177.90 2p4i h LEU 942 N -0.09 0.35 -1.18 1.67 3.38 -1.26 -2.34 115.31 115.83 2p4i h LEU 942 Ca 0.10 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2p4i h LEU 942 Cb 0.24 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2p4i h LEU 942 CO -0.23 0.72 0.15 0.45 0.09 0.00 0.00 178.44 179.62 2p4i h HIS 943 N 0.28 0.73 -0.74 1.13 3.86 -0.79 0.52 115.15 120.13 2p4i h HIS 943 Ca 0.03 -0.05 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2p4i h HIS 943 Cb 0.84 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 29.05 2p4i h HIS 943 CO 0.02 0.60 0.49 0.74 0.86 0.00 0.00 177.93 180.64 2p4i h PHE 944 N 0.70 0.92 -0.44 2.45 0.05 -0.66 -0.11 116.94 119.85 2p4i h PHE 944 Ca 0.16 0.02 -0.04 0.00 3.82 0.00 0.00 57.97 61.94 2p4i h PHE 944 Cb 0.22 -0.31 -0.02 0.00 2.00 0.00 0.00 35.95 37.84 2p4i h PHE 944 CO 0.01 0.56 0.13 0.00 -0.18 0.00 0.00 178.31 178.83 2p4i h ALA 945 N 1.28 0.58 -0.25 2.45 0.00 -0.87 -1.60 119.26 120.86 2p4i h ALA 945 Ca 0.28 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 2p4i h ALA 945 Cb -0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2p4i h ALA 945 CO -0.07 0.24 -0.32 0.00 0.00 0.00 0.00 179.25 179.09 2p4i h ALA 946 N 0.98 0.98 -0.07 0.00 0.00 -0.84 -2.15 119.26 118.16 2p4i h ALA 946 Ca 0.14 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.68 2p4i h ALA 946 Cb 0.28 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2p4i h ALA 946 CO -0.00 0.60 -0.03 -0.44 0.00 0.00 0.00 179.25 179.39 2p4i h ASP 947 N 0.45 -0.09 -0.48 0.00 3.45 -0.78 -0.97 116.42 118.00 2p4i h ASP 947 Ca 0.05 0.02 -0.03 0.00 0.43 0.00 0.00 57.03 57.51 2p4i h ASP 947 Cb 0.78 0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 39.59 2p4i h ASP 947 CO 0.06 -0.03 0.18 0.58 -1.57 0.00 0.00 179.24 178.46 2p4i h VAL 948 N -0.01 1.22 -0.37 -1.35 2.07 -1.09 -1.94 116.25 114.77 2p4i h VAL 948 Ca 0.04 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 66.88 2p4i h VAL 948 Cb 0.07 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2p4i h VAL 948 CO -0.08 0.26 0.22 0.00 0.02 0.00 0.00 177.57 177.99 2p4i h ALA 949 N 1.03 0.47 -0.48 1.67 0.00 -1.36 0.31 119.26 120.89 2p4i h ALA 949 Ca 0.16 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2p4i h ALA 949 Cb 0.22 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2p4i h ALA 949 CO -0.01 -0.12 0.29 -0.09 0.00 0.00 0.00 179.25 179.32 2p4i h ARG 950 N 0.45 0.56 -0.48 0.00 2.43 -1.02 0.28 114.38 116.60 2p4i h ARG 950 Ca 0.14 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 2p4i h ARG 950 Cb -0.00 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 2p4i h ARG 950 CO -0.06 0.37 0.07 0.78 -1.51 0.00 0.00 179.97 179.62 2p4i h GLY 951 N 0.58 0.86 1.81 2.80 0.00 -1.04 -2.04 103.07 106.04 2p4i h GLY 951 Ca 0.19 -0.58 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 2p4i h GLY 951 CO -0.08 0.54 -0.21 -0.33 0.00 0.00 0.00 176.54 176.46 2p4i h MET 952 N 0.67 0.23 -0.25 4.80 2.86 -0.09 0.16 114.93 123.31 2p4i h MET 952 Ca 0.15 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 2p4i h MET 952 Cb 0.40 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 2p4i h MET 952 CO 0.01 0.44 0.05 0.22 1.06 0.00 0.00 176.91 178.69 2p4i h ASP 953 N 0.22 0.40 -0.10 1.22 3.58 -0.31 0.86 116.42 122.29 2p4i h ASP 953 Ca 0.04 -0.25 0.02 0.00 0.42 0.00 0.00 57.03 57.25 2p4i h ASP 953 Cb 0.50 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 2p4i h ASP 953 CO 0.03 0.55 -0.01 0.22 -2.88 0.00 0.00 179.24 177.15 2p4i h TYR 954 N 0.23 -0.03 -0.14 0.28 3.20 -1.12 -2.61 116.97 116.78 2p4i h TYR 954 Ca 0.08 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 2p4i h TYR 954 Cb 0.32 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 2p4i h TYR 954 CO 0.02 -0.03 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.21 2p4i h LEU 955 N 0.01 0.23 -0.10 2.82 3.38 -0.58 -3.11 115.31 117.96 2p4i h LEU 955 Ca 0.05 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2p4i h LEU 955 Cb 0.06 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2p4i h LEU 955 CO -0.09 0.48 -0.25 0.77 0.09 0.00 0.00 178.44 179.44 2p4i h SER 956 N 0.22 0.00 1.43 -0.43 4.64 -0.68 -1.98 113.55 116.76 2p4i h SER 956 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2p4i h SER 956 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2p4i h SER 956 CO 0.04 0.25 0.00 1.56 -0.87 0.00 0.00 176.83 177.80 2p4i h GLN 957 N 0.00 0.00 -0.52 4.77 1.08 -1.39 -1.61 115.11 117.43 2p4i h GLN 957 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2p4i h GLN 957 Cb 1.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 2p4i h GLN 957 CO 0.03 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 179.54 2p4i n LYS 958 N -2.84 2.37 -4.15 1.46 5.02 -1.20 -4.94 118.16 113.86 2p4i n LYS 958 Ca 0.03 -1.67 -0.29 0.00 -2.02 0.00 0.00 58.31 54.36 2p4i n LYS 958 Cb 0.40 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.85 2p4i n LYS 958 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2p4i n GLN 959 N 0.69 -2.13 -3.53 1.97 0.00 -0.61 -4.98 117.38 108.79 2p4i n GLN 959 Ca 0.15 0.25 -0.37 0.00 0.00 0.00 0.00 57.00 57.04 2p4i n GLN 959 Cb 0.49 -4.14 -0.07 0.00 0.00 0.00 0.00 30.24 26.53 2p4i n GLN 959 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 2p4i s PHE 960 N -4.10 3.51 -0.23 2.61 5.36 -0.75 -5.03 117.98 119.36 2p4i s PHE 960 Ca 0.07 0.68 -0.01 0.00 -0.96 0.00 0.00 56.93 56.71 2p4i s PHE 960 Cb -0.04 -2.33 0.02 0.00 -0.34 0.00 0.00 43.02 40.33 2p4i s PHE 960 CO 0.95 0.32 -0.10 0.42 -1.46 0.00 0.00 175.22 175.34 2p4i s ILE 961 N 0.18 2.63 -0.05 3.12 1.01 -1.26 -4.29 121.20 122.54 2p4i s ILE 961 Ca 0.18 -1.00 -0.17 0.00 0.00 0.00 0.00 60.65 59.66 2p4i s ILE 961 Cb -0.14 -2.28 -0.12 0.00 0.01 0.00 0.00 42.46 39.93 2p4i s ILE 961 CO 0.06 0.30 0.72 -0.74 0.00 0.00 0.00 174.94 175.27 2p4i h HIS 962 N 7.98 -0.28 0.00 3.97 2.76 -1.97 -3.48 115.15 124.13 2p4i h HIS 962 Ca -0.36 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.80 2p4i h HIS 962 Cb 1.12 0.09 0.00 0.00 1.55 0.00 0.00 27.41 30.17 2p4i h HIS 962 CO 0.55 0.05 0.00 0.54 -1.30 0.00 0.00 177.93 177.78 2p4i n ARG 963 N -4.97 -0.24 -2.74 5.26 1.74 -1.26 -4.82 116.66 109.62 2p4i n ARG 963 Ca -0.07 0.06 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 2p4i n ARG 963 Cb 0.23 -3.38 0.08 0.00 -1.02 0.00 0.00 32.46 28.37 2p4i n ARG 963 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2p4i n ASP 964 N -0.12 0.16 -4.64 0.55 2.03 -1.26 -4.95 116.55 108.32 2p4i n ASP 964 Ca 0.00 -2.23 -0.43 0.00 0.52 0.00 0.00 54.79 52.65 2p4i n ASP 964 Cb 0.06 0.07 -0.03 0.00 -0.72 0.00 0.00 41.12 40.50 2p4i n ASP 964 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2p4i s LEU 965 N -3.75 4.09 0.06 -2.67 1.43 -1.26 -4.76 118.68 111.82 2p4i s LEU 965 Ca 0.21 2.00 -0.27 0.00 -1.03 0.00 0.00 54.13 55.04 2p4i s LEU 965 Cb 0.39 -3.53 0.09 0.00 0.03 0.00 0.00 46.19 43.17 2p4i s LEU 965 CO -0.06 -1.15 0.85 0.00 0.23 0.00 0.00 176.35 176.21 2p4i s ALA 966 N 4.89 -1.74 0.36 4.21 0.00 -1.26 -4.63 121.76 123.59 2p4i s ALA 966 Ca 0.76 0.74 0.08 0.00 0.00 0.00 0.00 51.96 53.55 2p4i s ALA 966 Cb -0.31 0.54 0.81 0.00 0.00 0.00 0.00 23.12 24.16 2p4i s ALA 966 CO 0.31 -0.77 1.90 0.00 0.00 0.00 0.00 175.76 177.20 2p4i h ALA 967 N 2.00 1.81 -0.04 0.00 0.00 -1.92 -1.03 119.26 120.09 2p4i h ALA 967 Ca -0.24 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.68 2p4i h ALA 967 Cb 1.25 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2p4i h ALA 967 CO 0.31 -0.01 0.03 0.07 0.00 0.00 0.00 179.25 179.65 2p4i h ARG 968 N 0.70 0.00 -0.61 0.00 0.11 -1.95 -1.68 114.38 110.95 2p4i h ARG 968 Ca 0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.48 2p4i h ARG 968 Cb 0.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.66 2p4i h ARG 968 CO -0.16 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.00 2p4i n ASN 969 N -4.10 3.48 -4.50 0.08 3.02 -0.39 -4.77 115.26 108.08 2p4i n ASN 969 Ca -0.02 -1.99 -0.34 0.00 -0.03 0.00 0.00 54.58 52.20 2p4i n ASN 969 Cb 0.13 -0.41 -0.12 0.00 -0.61 0.00 0.00 39.78 38.77 2p4i n ASN 969 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2p4i s ILE 970 N -1.18 3.68 0.07 2.41 -1.09 -0.64 -0.75 121.20 123.70 2p4i s ILE 970 Ca 0.43 -0.45 -0.02 0.00 -2.23 0.00 0.00 60.65 58.38 2p4i s ILE 970 Cb 0.23 -2.57 -0.04 0.00 -1.58 0.00 0.00 42.46 38.50 2p4i s ILE 970 CO 0.30 0.53 0.26 -0.76 -1.23 0.00 0.00 174.94 174.05 2p4i s LEU 971 N -0.03 4.34 -0.45 2.97 1.43 0.14 -0.25 118.68 126.82 2p4i s LEU 971 Ca 0.00 0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 53.41 2p4i s LEU 971 Cb -0.13 -3.01 0.11 0.00 0.03 0.00 0.00 46.19 43.19 2p4i s LEU 971 CO 0.03 0.15 0.31 -0.69 0.23 0.00 0.00 176.35 176.38 2p4i s VAL 972 N -1.52 4.05 0.00 -1.59 1.01 -0.40 0.31 120.40 122.26 2p4i s VAL 972 Ca 0.35 -1.79 0.00 0.00 0.00 0.00 0.00 61.98 60.55 2p4i s VAL 972 Cb -0.13 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.59 2p4i s VAL 972 CO 0.25 -0.73 0.00 0.61 0.00 0.00 0.00 175.10 175.24 2p4i n GLY 973 N 4.86 0.26 3.67 4.51 0.00 -0.28 -2.61 105.19 115.59 2p4i n GLY 973 Ca -0.07 -1.81 -0.45 0.00 0.00 0.00 0.00 46.02 43.69 2p4i n GLY 973 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2p4i n GLU 974 N -0.22 1.97 -1.76 1.61 -0.58 -1.26 -1.59 120.64 118.82 2p4i n GLU 974 Ca 0.00 0.70 -0.13 0.00 -0.42 0.00 0.00 57.16 57.31 2p4i n GLU 974 Cb 0.00 -2.34 -0.04 0.00 -0.57 0.00 0.00 31.44 28.50 2p4i n GLU 974 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2p4i n ASN 975 N 2.02 -4.41 -2.54 1.62 5.03 -1.26 -3.05 115.26 112.67 2p4i n ASN 975 Ca 0.11 0.18 -0.17 0.00 0.87 0.00 0.00 54.58 55.58 2p4i n ASN 975 Cb 0.31 -3.30 -0.00 0.00 -1.02 0.00 0.00 39.78 35.77 2p4i n ASN 975 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2p4i n TYR 976 N -3.21 -1.34 -2.80 3.10 4.02 -0.62 -4.93 117.16 111.38 2p4i n TYR 976 Ca -0.14 0.08 -0.42 0.00 -0.01 0.00 0.00 57.90 57.40 2p4i n TYR 976 Cb 0.52 -3.36 -0.04 0.00 -0.02 0.00 0.00 39.34 36.44 2p4i n TYR 976 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2p4i s VAL 977 N -2.84 4.64 0.32 -0.72 1.01 -1.17 -4.76 120.40 116.87 2p4i s VAL 977 Ca 0.05 1.35 -0.28 0.00 0.00 0.00 0.00 61.98 63.10 2p4i s VAL 977 Cb -0.03 -4.29 -0.09 0.00 0.00 0.00 0.00 36.38 31.97 2p4i s VAL 977 CO 0.06 -0.42 1.12 0.00 0.00 0.00 0.00 175.10 175.87 2p4i s ALA 978 N 3.34 3.34 -0.04 5.51 0.00 -1.26 -1.13 121.76 131.52 2p4i s ALA 978 Ca 0.38 0.91 0.01 0.00 0.00 0.00 0.00 51.96 53.27 2p4i s ALA 978 Cb -0.13 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.67 2p4i s ALA 978 CO 0.15 -0.26 -0.06 0.15 0.00 0.00 0.00 175.76 175.75 2p4i s LYS 979 N -1.74 0.90 0.23 0.00 1.02 0.15 -4.48 119.74 115.83 2p4i s LYS 979 Ca 0.48 -0.15 -0.30 0.00 0.02 0.00 0.00 55.97 56.02 2p4i s LYS 979 Cb -0.31 -0.87 -0.10 0.00 -0.52 0.00 0.00 37.83 36.03 2p4i s LYS 979 CO 0.40 -0.05 1.44 0.42 -0.92 0.00 0.00 175.35 176.64 2p4i s ILE 980 N 0.78 2.71 0.29 2.17 -1.09 -0.11 0.28 121.20 126.22 2p4i s ILE 980 Ca -0.11 0.58 0.03 0.00 -2.23 0.00 0.00 60.65 58.92 2p4i s ILE 980 Cb -0.14 -3.37 -0.04 0.00 -1.58 0.00 0.00 42.46 37.33 2p4i s ILE 980 CO 0.01 0.09 0.15 0.00 -1.23 0.00 0.00 174.94 173.96 2p4i s ALA 981 N 0.13 1.83 -0.16 9.38 0.00 0.07 -2.14 121.76 130.87 2p4i s ALA 981 Ca 0.60 -1.78 -0.04 0.00 0.00 0.00 0.00 51.96 50.74 2p4i s ALA 981 Cb -0.42 1.18 0.08 0.00 0.00 0.00 0.00 23.12 23.97 2p4i s ALA 981 CO 0.42 -0.52 0.22 0.34 0.00 0.00 0.00 175.76 176.21 2p4i s ASP 982 N -3.34 1.05 -0.18 0.00 -1.08 -1.26 -4.70 116.67 107.16 2p4i s ASP 982 Ca 0.37 0.05 0.16 0.00 -0.52 0.00 0.00 52.55 52.60 2p4i s ASP 982 Cb 0.05 0.42 0.72 0.00 -1.46 0.00 0.00 42.92 42.65 2p4i s ASP 982 CO 0.17 -0.29 1.63 0.49 0.52 0.00 0.00 175.17 177.69 2p4i n PHE 983 N 5.33 1.62 -1.28 -5.34 3.01 -1.26 -4.87 117.46 114.66 2p4i n PHE 983 Ca -0.05 -0.71 -0.30 0.00 1.01 0.00 0.00 57.45 57.39 2p4i n PHE 983 Cb 0.50 -0.37 0.24 0.00 -0.01 0.00 0.00 39.48 39.83 2p4i n PHE 983 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2p4i s GLY 984 N -1.06 1.64 -0.08 1.37 0.00 -1.26 -5.04 107.32 102.89 2p4i s GLY 984 Ca 0.50 -1.11 0.12 0.00 0.00 0.00 0.00 44.72 44.23 2p4i s GLY 984 CO 0.17 -0.21 1.08 1.04 0.00 0.00 0.00 173.10 175.19 2p4i n LEU 985 N -4.61 1.62 -3.63 0.66 4.32 -1.26 -5.02 117.00 109.08 2p4i n LEU 985 Ca 0.15 -2.36 -0.10 0.00 -0.02 0.00 0.00 56.01 53.67 2p4i n LEU 985 Cb 0.60 -0.27 -0.07 0.00 -1.62 0.00 0.00 43.42 42.06 2p4i n LEU 985 CO 0.43 0.55 0.69 -0.44 -1.22 0.00 0.00 177.39 177.40 2p4i s SER 986 N -2.17 -0.49 0.00 -1.43 0.01 -1.26 -5.11 113.70 103.26 2p4i s SER 986 Ca 0.20 0.89 -0.12 0.00 1.31 0.00 0.00 55.95 58.23 2p4i s SER 986 Cb 0.18 0.89 0.02 0.00 0.21 0.00 0.00 66.02 67.31 2p4i s SER 986 CO 0.02 -0.20 0.26 -0.13 0.41 0.00 0.00 173.24 173.60 2p4i s ARG 987 N 0.07 0.64 0.00 12.44 0.52 -1.26 -5.16 118.95 126.20 2p4i s ARG 987 Ca 0.02 -0.32 0.00 0.00 -0.52 0.00 0.00 55.73 54.91 2p4i s ARG 987 Cb -0.04 0.28 0.00 0.00 0.52 0.00 0.00 34.95 35.71 2p4i s ARG 987 CO -0.04 -0.18 0.00 0.28 0.02 0.00 0.00 175.30 175.38 2p4i n VAL 993 N 1.18 0.00 -2.54 3.52 0.31 -1.26 -4.98 118.33 114.56 2p4i n VAL 993 Ca -0.21 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.78 2p4i n VAL 993 Cb 0.57 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.46 2p4i n VAL 993 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2p4i s LYS 994 N -1.58 3.84 0.19 5.55 2.20 -1.26 -5.00 119.74 123.68 2p4i s LYS 994 Ca 0.00 1.29 0.09 0.00 -0.36 0.00 0.00 55.97 56.99 2p4i s LYS 994 Cb 0.00 -2.11 -0.04 0.00 -1.51 0.00 0.00 37.83 34.17 2p4i s LYS 994 CO 0.00 -0.39 -0.12 0.15 -0.36 0.00 0.00 175.35 174.63 2p4i s LYS 995 N -3.33 1.95 0.28 4.03 -0.14 -1.26 -5.10 119.74 116.17 2p4i s LYS 995 Ca 0.66 -1.33 -0.29 0.00 -1.36 0.00 0.00 55.97 53.65 2p4i s LYS 995 Cb -0.15 -2.09 -0.10 0.00 -1.68 0.00 0.00 37.83 33.81 2p4i s LYS 995 CO 0.21 0.43 1.27 0.99 -0.76 0.00 0.00 175.35 177.48 2p4i s THR 996 N -1.72 3.01 -0.01 2.17 2.01 -1.26 -5.07 115.64 114.78 2p4i s THR 996 Ca 0.24 0.96 0.00 0.00 0.31 0.00 0.00 61.69 63.20 2p4i s THR 996 Cb -0.09 -3.61 0.01 0.00 0.01 0.00 0.00 72.50 68.83 2p4i s THR 996 CO 0.14 0.20 -0.00 -0.04 -0.69 0.00 0.00 174.62 174.23 2p4i s MET 997 N -1.21 0.14 0.00 4.92 -1.94 -1.26 -5.11 119.30 114.84 2p4i s MET 997 Ca 0.50 0.01 0.00 0.00 -1.71 0.00 0.00 55.69 54.50 2p4i s MET 997 Cb -0.37 -0.22 0.00 0.00 2.01 0.00 0.00 34.83 36.25 2p4i s MET 997 CO 0.46 -0.03 0.00 0.41 -0.01 0.00 0.00 175.02 175.85 2p4i n GLY 998 N 3.46 0.90 3.72 -0.03 0.00 -1.26 -5.00 105.19 106.99 2p4i n GLY 998 Ca -0.18 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 2p4i n GLY 998 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2p4i s ARG 999 N 0.55 4.47 -0.04 1.61 1.81 -1.26 -5.00 118.95 121.10 2p4i s ARG 999 Ca 0.00 1.76 -0.30 0.00 -1.72 0.00 0.00 55.73 55.47 2p4i s ARG 999 Cb 0.00 -3.32 -0.04 0.00 -0.45 0.00 0.00 34.95 31.13 2p4i s ARG 999 CO 0.00 -0.17 1.33 -0.51 -0.68 0.00 0.00 175.30 175.27 2p4i s LEU 1000N 0.64 4.29 -1.28 2.53 1.43 -1.26 -4.95 118.68 120.08 2p4i s LEU 1000Ca 0.56 1.98 -0.17 0.00 -1.03 0.00 0.00 54.13 55.47 2p4i s LEU 1000Cb -0.30 -3.56 0.10 0.00 0.03 0.00 0.00 46.19 42.47 2p4i s LEU 1000CO 0.31 -0.69 1.66 -0.81 0.23 0.00 0.00 176.35 177.04 2p4i n PRO 1001N 5.55 3.25 -0.19 1.29 -0.04 -1.26 -4.85 135.00 138.74 2p4i n PRO 1001Ca 0.13 -3.45 -0.01 0.00 -0.04 0.00 0.00 63.50 60.13 2p4i n PRO 1001Cb 0.45 -3.35 0.21 0.00 -0.04 0.00 0.00 33.50 30.77 2p4i n PRO 1001CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2p4i h VAL 1002N 5.25 1.21 0.00 0.52 2.07 -1.97 -2.06 116.25 121.28 2p4i h VAL 1002Ca 0.41 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2p4i h VAL 1002Cb 0.87 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2p4i h VAL 1002CO 1.40 0.24 0.00 0.03 0.02 0.00 0.00 177.57 179.26 2p4i h ARG 1003N 0.96 0.00 -0.48 1.57 3.08 -1.95 -2.52 114.38 115.05 2p4i h ARG 1003Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 2p4i h ARG 1003Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2p4i h ARG 1003CO -0.04 0.00 0.00 0.91 -1.07 0.00 0.00 179.97 179.77 2p4i n TRP 1004N -2.51 0.63 -3.97 3.04 8.01 -0.78 -4.99 117.44 116.87 2p4i n TRP 1004Ca 0.02 -0.35 -0.36 0.00 -1.31 0.00 0.00 57.50 55.50 2p4i n TRP 1004Cb 0.25 -0.00 -0.08 0.00 -2.01 0.00 0.00 31.31 29.47 2p4i n TRP 1004CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 2p4i s MET 1005N -1.24 3.61 0.39 -0.99 -1.94 -0.95 -3.76 119.30 114.43 2p4i s MET 1005Ca 0.39 -0.24 -0.27 0.00 -1.71 0.00 0.00 55.69 53.85 2p4i s MET 1005Cb 0.22 -3.16 -0.10 0.00 2.01 0.00 0.00 34.83 33.79 2p4i s MET 1005CO 0.29 0.57 1.43 0.00 -0.01 0.00 0.00 175.02 177.30 2p4i s ALA 1006N -0.45 3.45 0.26 3.03 0.00 -1.26 -4.86 121.76 121.92 2p4i s ALA 1006Ca 0.11 1.47 -0.02 0.00 0.00 0.00 0.00 51.96 53.53 2p4i s ALA 1006Cb -0.12 -3.58 0.56 0.00 0.00 0.00 0.00 23.12 19.99 2p4i s ALA 1006CO 0.02 -1.01 1.35 -0.89 0.00 0.00 0.00 175.76 175.22 2p4i n ILE 1007N 0.31 -0.36 0.48 0.00 5.41 -1.26 0.08 119.36 124.01 2p4i n ILE 1007Ca 0.02 1.92 0.12 0.00 1.00 0.00 0.00 62.75 65.81 2p4i n ILE 1007Cb 0.41 -2.75 0.46 0.00 -0.71 0.00 0.00 39.64 37.04 2p4i n ILE 1007CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 2p4i n GLU 1008N -5.30 0.17 0.04 0.38 0.00 -1.26 -1.06 120.64 113.60 2p4i n GLU 1008Ca 0.18 0.34 -0.22 0.00 0.00 0.00 0.00 57.16 57.46 2p4i n GLU 1008Cb 0.58 -1.80 -0.14 0.00 0.00 0.00 0.00 31.44 30.08 2p4i n GLU 1008CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 2p4i h SER 1009N 0.00 0.51 -0.14 -1.84 0.02 -0.48 -2.36 113.55 109.26 2p4i h SER 1009Ca 0.00 -0.93 -0.00 0.00 -0.84 0.00 0.00 61.79 60.02 2p4i h SER 1009Cb 0.42 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 2p4i h SER 1009CO 0.00 1.81 0.07 -0.07 -1.14 0.00 0.00 176.83 177.50 2p4i h LEU 1010N 0.09 0.17-10.00 5.07 3.38 -1.15 -2.47 115.31 110.40 2p4i h LEU 1010Ca -0.38 -0.10 -0.55 0.00 0.09 0.00 0.00 57.88 56.94 2p4i h LEU 1010Cb 2.07 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 42.75 2p4i h LEU 1010CO 0.13 0.22 -0.22 0.20 0.09 0.00 0.00 178.44 178.86 2p4i s ASN 1011N -5.43 6.51 0.00 -0.43 0.01 -0.23 -4.61 114.94 110.76 2p4i s ASN 1011Ca -0.13 0.69 0.00 0.00 -0.71 0.00 0.00 52.86 52.70 2p4i s ASN 1011Cb 0.07 -2.13 0.00 0.00 0.41 0.00 0.00 41.25 39.60 2p4i s ASN 1011CO 0.69 -0.04 0.00 -1.22 -1.51 0.00 0.00 177.10 175.02 2p4i n TYR 1012N -0.26 0.00 -3.88 2.20 4.02 -1.26 -4.29 117.16 113.69 2p4i n TYR 1012Ca -0.02 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.60 2p4i n TYR 1012Cb 0.53 -0.40 0.02 0.00 -0.02 0.00 0.00 39.34 39.46 2p4i n TYR 1012CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2p4i n SER 1013N 0.00 -2.77 -4.85 7.72 7.64 -0.93 -4.96 113.62 115.47 2p4i n SER 1013Ca 0.00 -0.85 -0.37 0.00 1.01 0.00 0.00 58.87 58.66 2p4i n SER 1013Cb 0.00 -3.70 -0.06 0.00 -1.01 0.00 0.00 64.21 59.44 2p4i n SER 1013CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2p4i s VAL 1014N -3.52 5.27 -0.08 0.44 1.01 -0.90 -4.91 120.40 117.71 2p4i s VAL 1014Ca 0.35 0.52 -0.03 0.00 0.00 0.00 0.00 61.98 62.82 2p4i s VAL 1014Cb -0.18 -3.56 0.04 0.00 0.00 0.00 0.00 36.38 32.68 2p4i s VAL 1014CO 0.84 0.59 0.06 -0.31 0.00 0.00 0.00 175.10 176.28 2p4i s TYR 1015N -0.96 0.17 0.27 5.22 1.51 -1.26 -3.96 117.35 118.34 2p4i s TYR 1015Ca 0.19 0.04 0.02 0.00 -1.01 0.00 0.00 57.07 56.30 2p4i s TYR 1015Cb -0.14 -0.58 -0.01 0.00 -0.11 0.00 0.00 41.96 41.12 2p4i s TYR 1015CO 0.08 -0.30 0.32 0.25 -1.11 0.00 0.00 175.55 174.79 2p4i n THR 1016N 5.27 0.00 -0.04 -0.71 -2.24 -1.26 -4.99 114.28 110.31 2p4i n THR 1016Ca -0.05 -1.60 0.01 0.00 -2.27 0.00 0.00 64.05 60.14 2p4i n THR 1016Cb 0.50 0.90 0.31 0.00 -2.10 0.00 0.00 70.33 69.93 2p4i n THR 1016CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2p4i h THR 1017N 1.81 1.18 -0.70 4.28 2.02 -1.98 -2.22 112.91 117.30 2p4i h THR 1017Ca -0.20 -0.60 -0.04 0.00 0.77 0.00 0.00 66.41 66.33 2p4i h THR 1017Cb 0.93 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 2p4i h THR 1017CO 0.28 0.23 0.26 0.78 0.37 0.00 0.00 175.52 177.43 2p4i h ASN 1018N 0.61 0.96 -0.03 4.18 -0.26 -1.95 0.43 115.58 119.51 2p4i h ASN 1018Ca 0.14 -0.15 -0.10 0.00 -0.56 0.00 0.00 56.30 55.63 2p4i h ASN 1018Cb 0.19 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.18 2p4i h ASN 1018CO -0.01 0.87 -0.29 0.77 -1.06 0.00 0.00 177.43 177.71 2p4i h SER 1019N 1.01 0.49 -0.77 5.81 4.64 -1.80 -1.69 113.55 121.24 2p4i h SER 1019Ca 0.23 -0.18 0.05 0.00 -0.47 0.00 0.00 61.79 61.42 2p4i h SER 1019Cb 0.23 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 62.13 2p4i h SER 1019CO -0.02 0.77 0.51 0.44 -0.87 0.00 0.00 176.83 177.66 2p4i h ASP 1020N 0.42 0.78 -0.44 4.97 3.32 -0.94 -2.01 116.42 122.53 2p4i h ASP 1020Ca 0.06 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 2p4i h ASP 1020Cb 0.73 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 2p4i h ASP 1020CO 0.06 0.52 -0.01 0.58 -1.72 0.00 0.00 179.24 178.66 2p4i h VAL 1021N 0.90 1.26 -0.25 -1.35 2.07 -0.11 -0.65 116.25 118.13 2p4i h VAL 1021Ca 0.32 -1.06 0.04 0.00 0.82 0.00 0.00 66.70 66.82 2p4i h VAL 1021Cb 0.13 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 2p4i h VAL 1021CO -0.10 0.36 -0.01 -0.25 0.02 0.00 0.00 177.57 177.59 2p4i h TRP 1022N 0.62 -0.03 -0.77 1.57 2.91 -1.00 -1.07 115.95 118.18 2p4i h TRP 1022Ca 0.12 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.16 2p4i h TRP 1022Cb 0.51 0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 29.17 2p4i h TRP 1022CO 0.04 -0.05 0.49 0.77 -1.03 0.00 0.00 178.44 178.66 2p4i h SER 1023N 0.07 0.89 -0.69 2.65 0.02 -1.19 -1.54 113.55 113.75 2p4i h SER 1023Ca 0.12 -0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.06 2p4i h SER 1023Cb 0.15 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 2p4i h SER 1023CO -0.20 0.66 0.43 0.22 -1.14 0.00 0.00 176.83 176.80 2p4i h TYR 1024N 1.04 0.81 -0.79 3.45 3.20 -0.60 -0.71 116.97 123.37 2p4i h TYR 1024Ca 0.28 0.02 0.18 0.00 3.14 0.00 0.00 58.73 62.35 2p4i h TYR 1024Cb -0.09 -0.27 -0.12 0.00 1.54 0.00 0.00 36.73 37.79 2p4i h TYR 1024CO 0.00 0.47 0.21 0.78 -1.64 0.00 0.00 178.16 177.98 2p4i h GLY 1025N 0.85 1.16 1.16 1.82 0.00 -0.17 0.51 103.07 108.40 2p4i h GLY 1025Ca 0.27 -0.05 -0.18 0.00 0.00 0.00 0.00 47.33 47.38 2p4i h GLY 1025CO -0.10 -0.25 -0.48 -2.08 0.00 0.00 0.00 176.54 173.64 2p4i h VAL 1026N 0.27 1.27 -0.57 4.60 2.07 -1.11 -2.00 116.25 120.79 2p4i h VAL 1026Ca 0.47 -1.66 0.01 0.00 0.82 0.00 0.00 66.70 66.34 2p4i h VAL 1026Cb 0.84 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 2p4i h VAL 1026CO -0.55 0.55 0.36 0.25 0.02 0.00 0.00 177.57 178.20 2p4i h LEU 1027N 0.71 0.62 -0.85 2.57 6.46 -0.18 0.31 115.31 124.95 2p4i h LEU 1027Ca 0.03 -0.01 0.07 0.00 -0.12 0.00 0.00 57.88 57.85 2p4i h LEU 1027Cb 1.08 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 40.81 2p4i h LEU 1027CO 0.11 0.44 0.52 0.25 -0.62 0.00 0.00 178.44 179.14 2p4i h LEU 1028N 0.73 0.80 -0.88 2.25 5.85 0.15 0.15 115.31 124.37 2p4i h LEU 1028Ca 0.22 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.91 2p4i h LEU 1028Cb -0.04 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 2p4i h LEU 1028CO -0.07 0.51 0.20 -0.25 -0.34 0.00 0.00 178.44 178.49 2p4i h TRP 1029N 0.93 1.06 -0.74 1.25 7.01 -0.77 -2.20 115.95 122.49 2p4i h TRP 1029Ca 0.37 -0.10 -0.03 0.00 2.11 0.00 0.00 58.89 61.25 2p4i h TRP 1029Cb 0.20 -0.31 -0.03 0.00 -2.10 0.00 0.00 29.16 26.92 2p4i h TRP 1029CO -0.04 0.85 0.35 0.93 -2.79 0.00 0.00 178.44 177.74 2p4i h GLU 1030N 0.99 1.05 0.32 2.65 5.08 0.13 -2.02 114.58 122.78 2p4i h GLU 1030Ca 0.22 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2p4i h GLU 1030Cb 0.29 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2p4i h GLU 1030CO -0.01 0.81 -0.15 0.82 -1.00 0.00 0.00 179.01 179.48 2p4i h ILE 1031N 1.04 0.71 -0.45 3.13 2.04 -0.42 -0.39 117.51 123.18 2p4i h ILE 1031Ca 0.25 -0.23 -0.10 0.00 1.00 0.00 0.00 64.86 65.78 2p4i h ILE 1031Cb 0.11 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 2p4i h ILE 1031CO -0.03 0.05 -0.14 0.58 0.00 0.00 0.00 178.15 178.60 2p4i h VAL 1032N -0.55 1.26 -0.00 1.67 2.07 -1.36 -2.54 116.25 116.80 2p4i h VAL 1032Ca -0.04 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.23 2p4i h VAL 1032Cb 0.41 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2p4i h VAL 1032CO 0.07 0.43 -0.01 -1.54 0.02 0.00 0.00 177.57 176.53 2p4i n SER 1033N -4.14 0.42 -2.39 0.57 3.41 -0.76 -4.92 113.62 105.80 2p4i n SER 1033Ca 0.01 -1.01 -0.16 0.00 -0.26 0.00 0.00 58.87 57.44 2p4i n SER 1033Cb 0.39 -0.03 0.04 0.00 -0.26 0.00 0.00 64.21 64.36 2p4i n SER 1033CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2p4i n LEU 1034N -0.73 -2.61 0.00 1.04 4.77 -0.96 -3.52 117.00 115.00 2p4i n LEU 1034Ca 0.21 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2p4i n LEU 1034Cb 0.20 -2.27 0.00 0.00 -2.33 0.00 0.00 43.42 39.01 2p4i n LEU 1034CO 0.19 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2p4i n GLY 1035N -1.41 0.94 3.74 -0.72 0.00 -0.19 -3.57 105.19 103.98 2p4i n GLY 1035Ca -0.05 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 2p4i n GLY 1035CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2p4i s GLY 1036N -2.09 2.86 -0.09 -0.02 0.00 -1.23 -4.85 107.32 101.90 2p4i s GLY 1036Ca 0.00 1.24 -0.28 0.00 0.00 0.00 0.00 44.72 45.68 2p4i s GLY 1036CO 0.00 1.69 0.91 -1.59 0.00 0.00 0.00 173.10 174.11 2p4i s THR 1037N -1.38 4.86 0.32 0.90 2.01 -0.59 -4.80 115.64 116.96 2p4i s THR 1037Ca 0.80 1.86 -0.29 0.00 0.31 0.00 0.00 61.69 64.37 2p4i s THR 1037Cb -0.38 -4.23 -0.11 0.00 0.01 0.00 0.00 72.50 67.79 2p4i s THR 1037CO 0.41 0.08 1.45 -2.84 -0.69 0.00 0.00 174.62 173.03 2p4i s PRO 1038N 1.64 4.21 -1.56 4.92 0.02 -1.26 -2.81 135.00 140.16 2p4i s PRO 1038Ca 0.45 2.42 -0.14 0.00 0.02 0.00 0.00 61.00 63.75 2p4i s PRO 1038Cb -0.18 -3.04 0.09 0.00 0.02 0.00 0.00 34.50 31.40 2p4i s PRO 1038CO 0.19 -0.44 0.95 0.66 -0.33 0.00 0.00 177.00 178.04 2p4i n TYR 1039N 1.26 -2.22 -1.62 6.54 4.01 -1.26 -4.91 117.16 118.96 2p4i n TYR 1039Ca 0.03 0.89 -0.52 0.00 -0.16 0.00 0.00 57.90 58.15 2p4i n TYR 1039Cb 0.40 -3.85 -0.06 0.00 -0.31 0.00 0.00 39.34 35.52 2p4i n TYR 1039CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2p4i n GLY 1041N 2.95 0.81 3.43 0.00 0.00 -1.26 -5.05 105.19 106.07 2p4i n GLY 1041Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2p4i n GLY 1041CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2p4i s MET 1042N -0.57 3.06 0.50 1.61 0.00 0.33 -5.11 119.30 119.13 2p4i s MET 1042Ca 0.00 -0.66 -0.19 0.00 0.00 0.00 0.00 55.69 54.83 2p4i s MET 1042Cb 0.00 -2.57 -0.08 0.00 0.00 0.00 0.00 34.83 32.19 2p4i s MET 1042CO 0.00 0.39 1.03 0.99 0.00 0.00 0.00 175.02 177.43 2p4i s THR 1043N -0.11 3.87 0.37 10.11 2.01 -1.26 -4.97 115.64 125.67 2p4i s THR 1043Ca -0.01 1.11 0.06 0.00 0.31 0.00 0.00 61.69 63.15 2p4i s THR 1043Cb -0.14 -3.46 0.28 0.00 0.01 0.00 0.00 72.50 69.20 2p4i s THR 1043CO 0.03 -0.31 1.99 0.00 -0.69 0.00 0.00 174.62 175.64 2p4i h ALA 1045N 1.63 0.54 0.00 0.00 0.00 -2.02 -2.72 119.26 116.69 2p4i h ALA 1045Ca 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2p4i h ALA 1045Cb 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2p4i h ALA 1045CO -0.08 0.09 0.00 -0.85 0.00 0.00 0.00 179.25 178.41 2p4i n GLU 1046N -4.69 0.12 -0.05 0.00 0.28 -1.06 -2.44 120.64 112.80 2p4i n GLU 1046Ca 0.01 0.40 -0.15 0.00 -0.16 0.00 0.00 57.16 57.25 2p4i n GLU 1046Cb 0.10 -1.75 -0.07 0.00 1.43 0.00 0.00 31.44 31.15 2p4i n GLU 1046CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 2p4i h LEU 1047N 0.00 0.72 -1.37 -1.84 3.38 -1.47 0.30 115.31 115.03 2p4i h LEU 1047Ca 0.00 -0.58 0.05 0.00 0.09 0.00 0.00 57.88 57.44 2p4i h LEU 1047Cb 0.28 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 2p4i h LEU 1047CO 0.00 1.17 0.46 1.88 0.09 0.00 0.00 178.44 182.04 2p4i h TYR 1048N 0.31 0.78 0.23 1.13 -1.99 -1.53 -1.86 116.97 114.04 2p4i h TYR 1048Ca -0.01 0.02 -0.34 0.00 2.00 0.00 0.00 58.73 60.40 2p4i h TYR 1048Cb 1.08 -0.26 0.03 0.00 2.00 0.00 0.00 36.73 39.57 2p4i h TYR 1048CO 0.09 0.44 -1.60 0.93 -0.00 0.00 0.00 178.16 178.02 2p4i h GLU 1049N 0.80 0.48 0.06 4.88 5.08 -1.51 -3.40 114.58 120.96 2p4i h GLU 1049Ca 0.29 -0.81 -0.32 0.00 -1.00 0.00 0.00 59.36 57.52 2p4i h GLU 1049Cb 0.15 0.30 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2p4i h GLU 1049CO -0.09 1.39 -1.80 0.87 -1.00 0.00 0.00 179.01 178.37 2p4i h LYS 1050N 0.13 0.12 0.09 2.33 1.57 -0.84 -3.38 116.57 116.59 2p4i h LYS 1050Ca -0.29 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.30 2p4i h LYS 1050Cb 2.14 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 34.50 2p4i h LYS 1050CO 0.23 0.81 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.69 2p4i h LEU 1051N 0.03 -0.46 -1.00 2.94 3.38 -1.53 -1.84 115.31 116.83 2p4i h LEU 1051Ca -0.33 0.06 0.27 0.00 0.09 0.00 0.00 57.88 57.96 2p4i h LEU 1051Cb 2.02 0.18 -0.13 0.00 0.09 0.00 0.00 40.66 42.82 2p4i h LEU 1051CO 0.09 -0.24 0.57 -0.65 0.09 0.00 0.00 178.44 178.30 2p4i h PRO 1052N -0.32 0.48 0.00 1.13 0.11 -1.77 0.33 132.00 131.95 2p4i h PRO 1052Ca 0.03 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2p4i h PRO 1052Cb 0.34 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.35 2p4i h PRO 1052CO -0.10 0.32 0.00 1.04 -0.21 0.00 0.00 178.00 179.05 2p4i n GLN 1053N -4.95 0.57 -0.86 1.05 6.02 -0.74 -4.84 117.38 113.63 2p4i n GLN 1053Ca 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 2p4i n GLN 1053Cb 0.81 -1.04 0.00 0.00 1.02 0.00 0.00 30.24 31.03 2p4i n GLN 1053CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2p4i n GLY 1054N 0.07 0.69 3.74 1.08 0.00 0.11 -5.03 105.19 105.86 2p4i n GLY 1054Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 2p4i n GLY 1054CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2p4i s TYR 1055N -2.55 3.06 0.17 1.61 6.14 -0.90 -5.00 117.35 119.89 2p4i s TYR 1055Ca 0.00 1.07 0.03 0.00 0.64 0.00 0.00 57.07 58.82 2p4i s TYR 1055Cb 0.00 -3.78 -0.05 0.00 0.42 0.00 0.00 41.96 38.56 2p4i s TYR 1055CO 0.00 -2.50 -0.05 1.03 0.64 0.00 0.00 175.55 174.68 2p4i s ARG 1056N -0.37 1.13 0.38 4.97 1.81 -1.26 -4.33 118.95 121.27 2p4i s ARG 1056Ca 0.58 -1.52 -0.25 0.00 -1.72 0.00 0.00 55.73 52.82 2p4i s ARG 1056Cb -0.41 -0.50 -0.12 0.00 -0.45 0.00 0.00 34.95 33.48 2p4i s ARG 1056CO 0.43 -0.03 1.01 1.28 -0.68 0.00 0.00 175.30 177.31 2p4i n LEU 1057N -0.25 2.36 -4.87 2.53 4.77 -1.26 -4.99 117.00 115.29 2p4i n LEU 1057Ca -0.08 1.08 -0.31 0.00 -0.03 0.00 0.00 56.01 56.67 2p4i n LEU 1057Cb 0.62 -1.34 -0.04 0.00 -2.33 0.00 0.00 43.42 40.34 2p4i n LEU 1057CO 0.34 -1.44 0.43 -1.83 -1.33 0.00 0.00 177.39 173.56 2p4i s GLU 1058N -1.86 3.81 0.09 3.23 4.04 -1.26 -5.02 118.70 121.73 2p4i s GLU 1058Ca 0.61 0.49 -0.31 0.00 0.04 0.00 0.00 54.97 55.80 2p4i s GLU 1058Cb -0.60 -2.41 -0.10 0.00 0.02 0.00 0.00 34.13 31.05 2p4i s GLU 1058CO 0.58 0.01 1.90 1.17 -1.84 0.00 0.00 175.26 177.08 2p4i n LYS 1059N -1.12 2.85 -0.86 -4.83 4.81 -1.26 -4.98 118.16 112.77 2p4i n LYS 1059Ca 0.02 1.04 -0.30 0.00 -0.87 0.00 0.00 58.31 58.20 2p4i n LYS 1059Cb 0.54 -2.96 0.16 0.00 0.02 0.00 0.00 35.03 32.79 2p4i n LYS 1059CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 2p4i s PRO 1060N 3.45 0.97 0.08 1.64 0.02 -1.26 -4.95 135.00 134.95 2p4i s PRO 1060Ca 0.85 1.24 -0.12 0.00 0.02 0.00 0.00 61.00 62.99 2p4i s PRO 1060Cb -0.46 -1.74 -0.21 0.00 0.02 0.00 0.00 34.50 32.11 2p4i s PRO 1060CO 0.39 -2.56 1.21 -0.07 -0.33 0.00 0.00 177.00 175.64 2p4i h LEU 1061N -1.81 0.85 0.00 -5.54 3.38 -1.96 -2.91 115.31 107.33 2p4i h LEU 1061Ca -0.47 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 56.82 2p4i h LEU 1061Cb 1.27 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2p4i h LEU 1061CO 0.47 1.48 0.00 -0.46 0.09 0.00 0.00 178.44 180.02 2p4i n ASN 1062N -3.83 0.00 -4.80 -0.43 6.94 -1.26 -4.85 115.26 107.02 2p4i n ASN 1062Ca -0.10 -0.97 -0.37 0.00 -0.02 0.00 0.00 54.58 53.12 2p4i n ASN 1062Cb 0.88 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 38.23 2p4i n ASN 1062CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2p4i s ASP 1064N -0.45 7.22 0.51 0.00 2.15 -0.80 -4.88 116.67 120.42 2p4i s ASP 1064Ca 0.19 1.79 0.29 0.00 0.43 0.00 0.00 52.55 55.26 2p4i s ASP 1064Cb -0.14 -2.57 1.41 0.00 -0.30 0.00 0.00 42.92 41.32 2p4i s ASP 1064CO 0.08 -0.15 1.85 0.44 -0.17 0.00 0.00 175.17 177.22 2p4i h ASP 1065N 2.80 0.10 0.50 -0.34 3.45 -1.97 -2.22 116.42 118.74 2p4i h ASP 1065Ca -0.47 0.01 -0.19 0.00 0.43 0.00 0.00 57.03 56.81 2p4i h ASP 1065Cb 1.19 -0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.95 2p4i h ASP 1065CO 0.64 0.03 -0.83 -0.33 -1.57 0.00 0.00 179.24 177.18 2p4i h GLU 1066N 0.10 0.24 -0.11 3.56 5.08 -1.95 -0.89 114.58 120.61 2p4i h GLU 1066Ca 0.48 -0.24 -0.16 0.00 -1.00 0.00 0.00 59.36 58.45 2p4i h GLU 1066Cb 1.74 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 31.04 2p4i h GLU 1066CO -0.06 0.94 -0.61 0.28 -1.00 0.00 0.00 179.01 178.56 2p4i h VAL 1067N 0.14 1.36 -0.66 3.13 2.07 -1.76 -2.98 116.25 117.56 2p4i h VAL 1067Ca -0.04 -1.95 -0.08 0.00 0.82 0.00 0.00 66.70 65.46 2p4i h VAL 1067Cb 1.43 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 33.12 2p4i h VAL 1067CO 0.13 0.59 0.11 0.22 0.02 0.00 0.00 177.57 178.64 2p4i h TYR 1068N 0.27 1.14 -0.55 1.57 3.20 -1.30 -2.37 116.97 118.93 2p4i h TYR 1068Ca -0.01 -0.15 0.06 0.00 3.14 0.00 0.00 58.73 61.77 2p4i h TYR 1068Cb 1.14 -0.31 -0.05 0.00 1.54 0.00 0.00 36.73 39.04 2p4i h TYR 1068CO 0.03 0.95 0.26 -0.44 -1.64 0.00 0.00 178.16 177.33 2p4i h ASP 1069N 1.01 0.36 -0.51 -2.11 3.32 -1.14 -1.17 116.42 116.17 2p4i h ASP 1069Ca 0.20 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 2p4i h ASP 1069Cb 0.42 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 2p4i h ASP 1069CO 0.01 0.24 0.28 0.25 -1.72 0.00 0.00 179.24 178.30 2p4i h LEU 1070N 0.50 0.63 -0.58 1.55 5.85 -1.33 -0.67 115.31 121.27 2p4i h LEU 1070Ca 0.25 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.97 2p4i h LEU 1070Cb 0.19 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 2p4i h LEU 1070CO -0.19 0.54 0.22 0.24 -0.34 0.00 0.00 178.44 178.91 2p4i h MET 1071N 0.68 0.40 -0.01 1.25 2.86 -1.28 -2.71 114.93 116.12 2p4i h MET 1071Ca 0.18 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.73 2p4i h MET 1071Cb 0.04 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 2p4i h MET 1071CO -0.03 0.26 -0.30 0.00 1.06 0.00 0.00 176.91 177.91 2p4i h ARG 1072N 0.41 0.02 -0.55 1.72 2.47 -0.35 -2.11 114.38 115.99 2p4i h ARG 1072Ca 0.28 -0.01 -0.09 0.00 -1.26 0.00 0.00 59.98 58.90 2p4i h ARG 1072Cb 0.32 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.62 2p4i h ARG 1072CO -0.28 0.32 -0.03 1.96 0.56 0.00 0.00 179.97 182.50 2p4i h GLN 1073N 0.02 0.96 0.00 0.04 4.20 -0.86 -2.62 115.11 116.85 2p4i h GLN 1073Ca 0.00 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.41 2p4i h GLN 1073Cb 0.54 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2p4i h GLN 1073CO 0.04 0.96 0.00 0.00 -0.67 0.00 0.00 178.83 179.16 2p4i n TRP 1075N -1.93 0.29 -1.65 0.00 8.01 -0.99 -3.24 117.44 117.92 2p4i n TRP 1075Ca 0.02 -0.49 -0.45 0.00 -1.31 0.00 0.00 57.50 55.26 2p4i n TRP 1075Cb 0.16 -0.04 -0.02 0.00 -2.01 0.00 0.00 31.31 29.40 2p4i n TRP 1075CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 2p4i n ARG 1076N 0.14 1.84 -0.18 -0.99 1.74 -1.20 -4.88 116.66 113.13 2p4i n ARG 1076Ca 0.07 0.65 -0.02 0.00 -0.77 0.00 0.00 57.85 57.78 2p4i n ARG 1076Cb 0.36 -2.24 0.05 0.00 -1.02 0.00 0.00 32.46 29.61 2p4i n ARG 1076CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2p4i h GLU 1077N 3.51 -0.01 -6.49 5.56 4.81 -1.95 -3.38 114.58 116.63 2p4i h GLU 1077Ca -0.44 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.22 2p4i h GLU 1077Cb 1.29 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.62 2p4i h GLU 1077CO 0.71 -0.01 1.03 0.15 -0.73 0.00 0.00 179.01 180.16 2p4i s LYS 1078N -6.22 3.69 0.40 1.92 1.02 -1.26 -4.92 119.74 114.36 2p4i s LYS 1078Ca -0.14 1.00 0.14 0.00 0.02 0.00 0.00 55.97 56.98 2p4i s LYS 1078Cb 0.18 -3.97 0.97 0.00 -0.52 0.00 0.00 37.83 34.49 2p4i s LYS 1078CO 0.73 -1.42 1.89 -1.35 -0.92 0.00 0.00 175.35 174.27 2p4i h PRO 1079N 10.17 0.50 -0.05 -1.68 0.11 -1.97 0.05 132.00 139.12 2p4i h PRO 1079Ca -0.27 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2p4i h PRO 1079Cb 1.10 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2p4i h PRO 1079CO 1.07 0.33 0.00 2.48 -0.21 0.00 0.00 178.00 181.67 2p4i n TYR 1080N -4.52 0.07 0.49 0.65 0.18 -1.26 -2.97 117.16 109.80 2p4i n TYR 1080Ca 0.16 -0.03 0.09 0.00 1.88 0.00 0.00 57.90 60.00 2p4i n TYR 1080Cb 0.54 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.38 2p4i n TYR 1080CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 2p4i n GLU 1081N -0.39 0.89 -2.17 -3.48 1.02 -0.00 -4.98 120.64 111.52 2p4i n GLU 1081Ca 0.16 -0.07 -0.36 0.00 -0.02 0.00 0.00 57.16 56.87 2p4i n GLU 1081Cb 0.17 -1.38 0.01 0.00 -0.02 0.00 0.00 31.44 30.22 2p4i n GLU 1081CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2p4i s ARG 1082N -2.92 3.41 0.68 3.49 0.52 -1.16 -5.00 118.95 117.97 2p4i s ARG 1082Ca 0.01 1.77 -0.14 0.00 -0.52 0.00 0.00 55.73 56.85 2p4i s ARG 1082Cb 0.13 -2.16 0.01 0.00 0.52 0.00 0.00 34.95 33.45 2p4i s ARG 1082CO 0.74 -0.84 1.11 -1.25 0.02 0.00 0.00 175.30 175.09 2p4i s PRO 1083N -3.04 2.66 0.57 3.54 0.04 -1.26 -5.03 135.00 132.48 2p4i s PRO 1083Ca 0.70 1.39 -0.15 0.00 0.04 0.00 0.00 61.00 62.98 2p4i s PRO 1083Cb -0.28 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 2p4i s PRO 1083CO 0.33 -1.36 1.02 -1.54 0.04 0.00 0.00 177.00 175.49 2p4i s SER 1084N -2.65 6.20 0.44 6.66 1.04 -1.26 -4.90 113.70 119.23 2p4i s SER 1084Ca 0.67 1.62 0.17 0.00 0.48 0.00 0.00 55.95 58.89 2p4i s SER 1084Cb -0.21 -2.51 1.10 0.00 0.10 0.00 0.00 66.02 64.51 2p4i s SER 1084CO 0.44 -0.88 1.91 -0.26 0.98 0.00 0.00 173.24 175.43 2p4i h PHE 1085N 0.41 0.44 -0.49 5.02 0.04 -1.93 0.08 116.94 120.51 2p4i h PHE 1085Ca -0.46 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.30 2p4i h PHE 1085Cb 1.20 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 39.19 2p4i h PHE 1085CO 0.63 0.15 0.19 0.00 -0.60 0.00 0.00 178.31 178.68 2p4i h ALA 1086N 1.64 1.42 0.05 2.45 0.00 -1.93 -1.71 119.26 121.17 2p4i h ALA 1086Ca 0.38 -0.14 -0.23 0.00 0.00 0.00 0.00 54.91 54.93 2p4i h ALA 1086Cb 0.96 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2p4i h ALA 1086CO -0.12 0.44 -1.03 1.96 0.00 0.00 0.00 179.25 180.50 2p4i h GLN 1087N 0.70 0.20 -0.53 0.00 4.20 -1.52 -2.88 115.11 115.27 2p4i h GLN 1087Ca 0.17 -0.28 -0.09 0.00 0.06 0.00 0.00 58.65 58.51 2p4i h GLN 1087Cb 0.15 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 2p4i h GLN 1087CO -0.02 1.07 -0.02 0.82 -0.67 0.00 0.00 178.83 180.01 2p4i h ILE 1088N 0.08 1.27 -0.57 2.54 2.04 -0.90 -1.77 117.51 120.20 2p4i h ILE 1088Ca -0.07 -1.14 -0.04 0.00 1.00 0.00 0.00 64.86 64.61 2p4i h ILE 1088Cb 1.73 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.71 2p4i h ILE 1088CO 0.16 0.40 0.20 0.25 0.00 0.00 0.00 178.15 179.17 2p4i h LEU 1089N 0.83 0.81 -0.53 1.44 5.85 -1.33 -1.82 115.31 120.56 2p4i h LEU 1089Ca 0.15 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.73 2p4i h LEU 1089Cb 0.56 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 2p4i h LEU 1089CO 0.03 0.79 0.26 0.58 -0.34 0.00 0.00 178.44 179.75 2p4i h VAL 1090N 0.80 0.93 -0.37 1.05 2.07 -1.40 -0.22 116.25 119.11 2p4i h VAL 1090Ca 0.19 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 2p4i h VAL 1090Cb 0.25 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2p4i h VAL 1090CO -0.01 0.09 0.17 0.28 0.02 0.00 0.00 177.57 178.12 2p4i h SER 1091N 0.49 0.49 -0.50 0.57 0.02 -1.06 -1.76 113.55 111.81 2p4i h SER 1091Ca 0.24 -0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 60.96 2p4i h SER 1091Cb 0.17 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 2p4i h SER 1091CO -0.18 0.49 -0.04 -0.07 -1.14 0.00 0.00 176.83 175.89 2p4i h LEU 1092N 0.45 0.93 -1.22 5.07 3.38 -1.11 -2.42 115.31 120.39 2p4i h LEU 1092Ca 0.12 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 2p4i h LEU 1092Cb 0.14 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2p4i h LEU 1092CO -0.01 1.01 0.04 0.78 0.09 0.00 0.00 178.44 180.34 2p4i h ASN 1093N 0.86 0.53 -0.54 -0.43 2.35 -0.88 -0.45 115.58 117.02 2p4i h ASN 1093Ca 0.15 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 2p4i h ASN 1093Cb 0.56 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.77 2p4i h ASN 1093CO 0.03 0.58 0.29 -0.09 -1.65 0.00 0.00 177.43 176.59 2p4i h ARG 1094N 0.55 0.76 -0.41 0.81 2.43 -0.85 -1.86 114.38 115.80 2p4i h ARG 1094Ca 0.12 -0.09 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 2p4i h ARG 1094Cb 0.30 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 2p4i h ARG 1094CO 0.01 0.59 -0.09 0.52 -1.51 0.00 0.00 179.97 179.48 2p4i h MET 1095N 0.72 0.79 0.00 0.20 2.86 -0.97 -2.46 114.93 116.08 2p4i h MET 1095Ca 0.19 -0.30 -0.04 0.00 -2.06 0.00 0.00 59.70 57.49 2p4i h MET 1095Cb 0.06 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 2p4i h MET 1095CO -0.03 0.92 -0.19 -0.07 1.06 0.00 0.00 176.91 178.60 2p4i h LEU 1096N 0.61 0.00 0.00 1.22 3.38 -1.03 -3.06 115.31 116.43 2p4i h LEU 1096Ca 0.11 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.89 2p4i h LEU 1096Cb 0.62 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2p4i h LEU 1096CO 0.04 0.19 -1.08 -0.33 0.09 0.00 0.00 178.44 177.34 2p4i h GLU 1097N 0.00 0.00 -7.12 1.13 4.39 -1.10 -3.46 114.58 108.42 2p4i h GLU 1097Ca -0.00 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.16 2p4i h GLU 1097Cb 0.49 0.00 0.14 0.00 -0.10 0.00 0.00 28.75 29.28 2p4i h GLU 1097CO 0.02 0.63 0.47 -1.21 -1.16 0.00 0.00 179.01 177.77 2p4i s GLU 1098N -2.80 2.65 0.25 2.33 0.41 -0.95 -4.94 118.70 115.66 2p4i s GLU 1098Ca -0.00 1.90 0.02 0.00 -0.41 0.00 0.00 54.97 56.48 2p4i s GLU 1098Cb 0.09 -1.88 0.31 0.00 -1.78 0.00 0.00 34.13 30.87 2p4i s GLU 1098CO 0.80 -1.48 1.63 0.07 -0.49 0.00 0.00 175.26 175.79 2p4i h ARG 1099N 0.53 0.41 -6.29 1.61 0.11 -1.89 -3.45 114.38 105.40 2p4i h ARG 1099Ca -0.50 -0.21 -0.67 0.00 0.10 0.00 0.00 59.98 58.70 2p4i h ARG 1099Cb 1.31 0.00 0.05 0.00 1.11 0.00 0.00 29.97 32.45 2p4i h ARG 1099CO 0.53 0.76 0.53 1.17 0.10 0.00 0.00 179.97 183.06 2p4i n LYS 1100N -4.01 1.28 -2.59 0.08 4.81 -1.26 -4.96 118.16 111.51 2p4i n LYS 1100Ca -0.02 0.46 -0.42 0.00 -0.87 0.00 0.00 58.31 57.46 2p4i n LYS 1100Cb 0.51 -2.12 -0.03 0.00 0.02 0.00 0.00 35.03 33.41 2p4i n LYS 1100CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2p4i s THR 1101N 0.77 4.53 -0.16 3.15 2.01 -1.26 -4.95 115.64 119.72 2p4i s THR 1101Ca 0.85 1.82 0.18 0.00 0.31 0.00 0.00 61.69 64.84 2p4i s THR 1101Cb -0.93 -4.17 -0.25 0.00 0.01 0.00 0.00 72.50 67.17 2p4i s THR 1101CO 0.47 0.11 0.13 -1.22 -0.69 0.00 0.00 174.62 173.42 2p4i n TYR 1102N 4.17 0.00 -4.06 4.92 4.02 -1.26 -4.88 117.16 120.07 2p4i n TYR 1102Ca 0.08 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.63 2p4i n TYR 1102Cb 0.49 -0.87 -0.15 0.00 -0.02 0.00 0.00 39.34 38.79 2p4i n TYR 1102CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2p4i s VAL 1103N -2.62 2.39 0.03 -0.72 1.01 -1.26 -1.91 120.40 117.31 2p4i s VAL 1103Ca -0.09 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 60.68 2p4i s VAL 1103Cb 0.07 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.34 2p4i s VAL 1103CO 0.80 0.45 1.15 0.21 0.00 0.00 0.00 175.10 177.71 2p4i s ASN 1104N 1.32 7.14 0.00 3.32 2.47 0.71 -4.29 114.94 125.60 2p4i s ASN 1104Ca 0.04 1.91 0.00 0.00 0.42 0.00 0.00 52.86 55.22 2p4i s ASN 1104Cb -0.14 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 2p4i s ASN 1104CO -0.10 -0.44 0.73 0.35 -3.72 0.00 0.00 177.10 173.92 2p4i n THR 1105N 4.04 0.53 -3.52 -5.21 -2.24 -1.26 -4.77 114.28 101.85 2p4i n THR 1105Ca 0.09 -0.67 -0.35 0.00 -2.27 0.00 0.00 64.05 60.85 2p4i n THR 1105Cb 0.47 0.80 -0.05 0.00 -2.10 0.00 0.00 70.33 69.45 2p4i n THR 1105CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2p4i s THR 1106N -0.53 5.03 0.62 4.28 -4.23 -1.26 0.97 115.64 120.51 2p4i s THR 1106Ca 0.00 0.54 -0.15 0.00 -1.18 0.00 0.00 61.69 60.89 2p4i s THR 1106Cb 0.00 -3.67 -0.02 0.00 1.34 0.00 0.00 72.50 70.15 2p4i s THR 1106CO 0.00 0.25 1.07 -0.76 -0.54 0.00 0.00 174.62 174.64 2p4i s LEU 1107N -1.99 3.44 0.16 4.79 1.43 -0.33 -4.72 118.68 121.47 2p4i s LEU 1107Ca 0.35 1.84 -0.09 0.00 -1.03 0.00 0.00 54.13 55.20 2p4i s LEU 1107Cb -0.14 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.54 2p4i s LEU 1107CO 0.19 -1.30 0.29 -0.72 0.23 0.00 0.00 176.35 175.03 2p4i s TYR 1108N -2.48 0.37 0.16 0.29 -0.85 -1.26 -4.92 117.35 108.65 2p4i s TYR 1108Ca 0.64 -0.73 -0.28 0.00 -0.52 0.00 0.00 57.07 56.17 2p4i s TYR 1108Cb -0.17 -0.04 -0.04 0.00 0.38 0.00 0.00 41.96 42.09 2p4i s TYR 1108CO 0.40 -0.72 1.45 -1.91 -1.52 0.00 0.00 175.55 173.25 2p4i n GLU 1109N -0.21 -0.40 -0.38 -3.49 2.13 -1.26 -1.42 120.64 115.61 2p4i n GLU 1109Ca -0.08 1.43 0.04 0.00 0.66 0.00 0.00 57.16 59.21 2p4i n GLU 1109Cb 0.63 -2.10 0.19 0.00 0.27 0.00 0.00 31.44 30.44 2p4i n GLU 1109CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2p4i n LYS 1110N -5.20 2.68 -1.66 5.31 4.76 -1.26 -4.98 118.16 117.82 2p4i n LYS 1110Ca 0.03 -1.53 -0.44 0.00 -2.87 0.00 0.00 58.31 53.49 2p4i n LYS 1110Cb 0.26 -1.73 -0.02 0.00 -1.84 0.00 0.00 35.03 31.70 2p4i n LYS 1110CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2p4i n PHE 1111N 0.39 1.98 -3.78 2.13 7.35 -0.50 -5.01 117.46 120.02 2p4i n PHE 1111Ca 0.14 0.53 -0.13 0.00 -0.76 0.00 0.00 57.45 57.23 2p4i n PHE 1111Cb 0.62 -2.40 -0.12 0.00 0.35 0.00 0.00 39.48 37.93 2p4i n PHE 1111CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 2p4i s THR 1112N -0.55 -0.01 0.42 -2.13 -1.32 -1.26 -5.01 115.64 105.78 2p4i s THR 1112Ca 0.63 0.03 -0.23 0.00 -1.21 0.00 0.00 61.69 60.91 2p4i s THR 1112Cb -0.65 -0.34 -0.09 0.00 -1.51 0.00 0.00 72.50 69.91 2p4i s THR 1112CO 0.55 0.01 1.05 -0.31 -2.21 0.00 0.00 174.62 173.72 2p4i s TYR 1113N 0.34 3.20 0.26 9.09 4.12 -1.26 -5.00 117.35 128.10 2p4i s TYR 1113Ca -0.02 1.63 -0.31 0.00 0.02 0.00 0.00 57.07 58.39 2p4i s TYR 1113Cb -0.03 -3.13 -0.12 0.00 -1.52 0.00 0.00 41.96 37.15 2p4i s TYR 1113CO -0.01 -0.71 1.62 0.00 0.02 0.00 0.00 175.55 176.46 2p4i n ALA 1114N -0.24 2.45 -1.77 3.71 0.00 -1.26 -4.92 120.51 118.48 2p4i n ALA 1114Ca 0.06 0.39 -0.37 0.00 0.00 0.00 0.00 53.44 53.52 2p4i n ALA 1114Cb 0.50 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.49 2p4i n ALA 1114CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2p4i s GLY 1115N 0.70 2.78 -0.24 0.00 0.00 -1.26 -4.60 107.32 104.71 2p4i s GLY 1115Ca 0.68 0.99 -0.06 0.00 0.00 0.00 0.00 44.72 46.34 2p4i s GLY 1115CO 0.43 1.45 -0.26 1.39 0.00 0.00 0.00 173.10 176.11 2p4i n ILE 1116N -0.67 1.33 0.26 0.90 5.41 -1.26 -1.55 119.36 123.78 2p4i n ILE 1116Ca 0.08 -0.42 0.03 0.00 1.00 0.00 0.00 62.75 63.45 2p4i n ILE 1116Cb 0.48 -1.58 0.03 0.00 -0.71 0.00 0.00 39.64 37.85 2p4i n ILE 1116CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88