#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wmg n ALA 855 N 0.00 0.50 -3.61 -0.72 0.00 -1.22 -4.90 120.51 110.57 1wmg n ALA 855 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1wmg n ALA 855 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 1wmg n ALA 855 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1wmg s PHE 856 N -1.00 1.01 -0.15 0.00 5.36 -1.26 -5.12 117.98 116.82 1wmg s PHE 856 Ca 0.00 -0.34 -0.06 0.00 -0.96 0.00 0.00 56.93 55.56 1wmg s PHE 856 Cb 0.00 -0.84 -0.04 0.00 -0.34 0.00 0.00 43.02 41.80 1wmg s PHE 856 CO 0.00 -0.25 0.06 0.15 -1.46 0.00 0.00 175.22 173.72 1wmg s LYS 857 N 0.97 3.69 0.13 10.12 -0.14 -1.26 -4.86 119.74 128.39 1wmg s LYS 857 Ca -0.10 -0.32 -0.31 0.00 -1.36 0.00 0.00 55.97 53.88 1wmg s LYS 857 Cb -0.14 -3.12 -0.08 0.00 -1.68 0.00 0.00 37.83 32.81 1wmg s LYS 857 CO 0.00 0.45 1.36 0.42 -0.76 0.00 0.00 175.35 176.81 1wmg s ILE 858 N -0.12 3.32 0.44 2.17 1.01 -1.26 -4.94 121.20 121.83 1wmg s ILE 858 Ca 0.07 0.98 -0.26 0.00 0.00 0.00 0.00 60.65 61.44 1wmg s ILE 858 Cb -0.12 -3.63 -0.09 0.00 0.01 0.00 0.00 42.46 38.63 1wmg s ILE 858 CO 0.01 0.09 1.45 -2.16 0.00 0.00 0.00 174.94 174.34 1wmg s PRO 859 N 0.79 3.74 0.19 2.79 0.04 -1.26 -4.73 135.00 136.56 1wmg s PRO 859 Ca 0.62 2.48 -0.13 0.00 0.04 0.00 0.00 61.00 64.01 1wmg s PRO 859 Cb -0.36 -2.71 0.22 0.00 0.04 0.00 0.00 34.50 31.69 1wmg s PRO 859 CO 0.32 -0.80 1.68 -0.07 0.04 0.00 0.00 177.00 178.18 1wmg h LEU 860 N 2.42 -0.20 -0.93 -3.56 4.07 -1.98 0.18 115.31 115.31 1wmg h LEU 860 Ca -0.51 0.12 0.08 0.00 0.08 0.00 0.00 57.88 57.65 1wmg h LEU 860 Cb 1.26 0.22 -0.07 0.00 1.08 0.00 0.00 40.66 43.15 1wmg h LEU 860 CO 0.62 -0.07 0.59 -1.28 -1.08 0.00 0.00 178.44 177.21 1wmg h SER 861 N 0.13 0.91 -0.19 -0.43 0.87 -2.00 0.13 113.55 112.98 1wmg h SER 861 Ca 0.27 0.02 -0.17 0.00 -1.23 0.00 0.00 61.79 60.69 1wmg h SER 861 Cb 0.41 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1wmg h SER 861 CO -0.44 0.56 -0.54 0.40 -0.53 0.00 0.00 176.83 176.28 1wmg h ILE 862 N 1.03 1.31 -0.81 2.23 2.04 -1.69 -2.72 117.51 118.90 1wmg h ILE 862 Ca 0.42 -1.78 0.02 0.00 1.00 0.00 0.00 64.86 64.53 1wmg h ILE 862 Cb 0.24 1.92 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 1wmg h ILE 862 CO -0.20 0.56 0.52 -0.09 0.00 0.00 0.00 178.15 178.95 1wmg h ARG 863 N 0.40 1.01 -0.50 2.37 2.43 0.02 -0.11 114.38 119.99 1wmg h ARG 863 Ca -0.02 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1wmg h ARG 863 Cb 1.17 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 1wmg h ARG 863 CO 0.12 0.67 0.31 0.37 -1.51 0.00 0.00 179.97 179.92 1wmg h GLN 864 N 1.04 0.67 -0.03 0.20 -0.00 -0.71 -0.91 115.11 115.38 1wmg h GLN 864 Ca 0.31 -0.06 -0.15 0.00 -0.00 0.00 0.00 58.65 58.76 1wmg h GLN 864 Cb -0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 27.48 27.29 1wmg h GLN 864 CO -0.10 0.48 -0.66 0.87 0.00 0.00 0.00 178.83 179.42 1wmg h LYS 865 N 0.67 0.15 -0.24 1.69 1.57 -1.15 -0.36 116.57 118.90 1wmg h LYS 865 Ca 0.18 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1wmg h LYS 865 Cb -0.02 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1wmg h LYS 865 CO -0.03 0.76 -0.03 0.82 -0.57 0.00 0.00 179.45 180.40 1wmg h ILE 866 N 0.11 1.27 -0.53 1.86 2.04 -0.68 -2.08 117.51 119.50 1wmg h ILE 866 Ca -0.01 -0.98 -0.05 0.00 1.00 0.00 0.00 64.86 64.81 1wmg h ILE 866 Cb 1.19 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 1wmg h ILE 866 CO 0.10 0.30 0.12 0.00 0.00 0.00 0.00 178.15 178.67 1wmg h SER 868 N 0.74 0.64 0.17 0.00 0.87 -0.98 0.74 113.55 115.74 1wmg h SER 868 Ca 0.16 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 1wmg h SER 868 Cb 0.35 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1wmg h SER 868 CO 0.00 0.40 -0.08 -1.28 -0.53 0.00 0.00 176.83 175.34 1wmg h SER 869 N 0.77 -0.19 1.21 6.23 0.87 -1.10 -3.20 113.55 118.13 1wmg h SER 869 Ca 0.35 -0.34 -0.04 0.00 -1.23 0.00 0.00 61.79 60.53 1wmg h SER 869 Cb 0.26 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 1wmg h SER 869 CO -0.21 0.34 -0.20 -0.07 -0.53 0.00 0.00 176.83 176.17 1wmg h LEU 870 N -0.84 0.00 -0.14 2.23 3.38 -0.79 -2.93 115.31 116.21 1wmg h LEU 870 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1wmg h LEU 870 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1wmg h LEU 870 CO 0.04 0.20 0.00 0.44 0.09 0.00 0.00 178.44 179.21 1wmg h ASP 871 N 0.00 0.00 -2.73 -0.43 3.45 -0.99 -1.91 116.42 113.82 1wmg h ASP 871 Ca -0.00 0.00 -0.53 0.00 0.43 0.00 0.00 57.03 56.93 1wmg h ASP 871 Cb 0.86 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 39.66 1wmg h ASP 871 CO 0.03 0.00 0.96 0.00 -1.57 0.00 0.00 179.24 178.66 1wmg s ALA 872 N -3.25 3.75 0.52 3.45 0.00 -1.11 -4.89 121.76 120.23 1wmg s ALA 872 Ca 0.07 1.33 0.26 0.00 0.00 0.00 0.00 51.96 53.62 1wmg s ALA 872 Cb 0.06 -3.67 1.60 0.00 0.00 0.00 0.00 23.12 21.11 1wmg s ALA 872 CO 0.66 -0.96 2.17 -1.00 0.00 0.00 0.00 175.76 176.63 1wmg h PRO 873 N 7.60 0.00 0.00 0.00 0.13 -1.90 0.30 132.00 138.13 1wmg h PRO 873 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1wmg h PRO 873 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1wmg h PRO 873 CO 0.93 0.05 0.00 0.09 -0.23 0.00 0.00 178.00 178.84 1wmg n ASN 874 N -3.90 0.00 -1.52 1.44 3.02 -1.26 -2.64 115.26 110.40 1wmg n ASN 874 Ca -0.03 0.19 0.10 0.00 -0.03 0.00 0.00 54.58 54.82 1wmg n ASN 874 Cb 0.14 -0.35 0.35 0.00 -0.61 0.00 0.00 39.78 39.31 1wmg n ASN 874 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1wmg n SER 875 N -1.35 4.51 -4.65 6.41 7.64 0.09 -5.00 113.62 121.28 1wmg n SER 875 Ca 0.06 -2.28 -0.47 0.00 1.01 0.00 0.00 58.87 57.20 1wmg n SER 875 Cb 0.14 -0.55 -0.04 0.00 -1.01 0.00 0.00 64.21 62.75 1wmg n SER 875 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1wmg n ARG 876 N 1.35 1.82 0.00 1.43 0.63 -1.08 -0.35 116.66 120.46 1wmg n ARG 876 Ca 0.26 0.65 0.00 0.00 -0.92 0.00 0.00 57.85 57.84 1wmg n ARG 876 Cb 0.80 -2.32 0.00 0.00 0.45 0.00 0.00 32.46 31.39 1wmg n ARG 876 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wmg n GLY 877 N 2.57 0.70 2.71 5.14 0.00 -1.26 -4.82 105.19 110.23 1wmg n GLY 877 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 1wmg n GLY 877 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wmg n ASN 878 N 0.00 -0.61 0.00 1.61 4.05 0.53 -4.96 115.26 115.88 1wmg n ASN 878 Ca 0.00 -2.29 0.00 0.00 0.45 0.00 0.00 54.58 52.74 1wmg n ASN 878 Cb 0.00 0.39 0.00 0.00 1.23 0.00 0.00 39.78 41.40 1wmg n ASN 878 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 1wmg n ASP 879 N -0.97 1.56 -0.10 1.20 5.68 -0.97 -4.81 116.55 118.12 1wmg n ASP 879 Ca -0.06 0.00 0.19 0.00 -0.50 0.00 0.00 54.79 54.42 1wmg n ASP 879 Cb 0.85 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 41.44 1wmg n ASP 879 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 1wmg h TRP 880 N 0.00 0.24 -0.48 2.11 5.08 -1.69 -0.96 115.95 120.25 1wmg h TRP 880 Ca 0.00 0.01 -0.03 0.00 1.08 0.00 0.00 58.89 59.94 1wmg h TRP 880 Cb 0.00 -0.07 -0.02 0.00 -3.00 0.00 0.00 29.16 26.06 1wmg h TRP 880 CO 0.00 0.09 0.17 0.00 -1.28 0.00 0.00 178.44 177.42 1wmg h ARG 881 N 0.20 0.73 -0.39 0.12 3.08 -1.95 0.67 114.38 116.84 1wmg h ARG 881 Ca 0.34 -0.15 -0.14 0.00 0.07 0.00 0.00 59.98 60.10 1wmg h ARG 881 Cb 1.04 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 1wmg h ARG 881 CO -0.06 0.67 -0.30 1.25 -1.07 0.00 0.00 179.97 180.46 1wmg h LEU 882 N 0.64 0.94 -0.69 3.04 5.85 -1.59 -2.47 115.31 121.02 1wmg h LEU 882 Ca 0.16 -0.44 0.03 0.00 0.84 0.00 0.00 57.88 58.47 1wmg h LEU 882 Cb 0.23 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 1wmg h LEU 882 CO -0.01 1.18 0.43 0.25 -0.34 0.00 0.00 178.44 179.95 1wmg h LEU 883 N 0.70 0.69 -0.55 2.25 5.85 -1.01 0.36 115.31 123.60 1wmg h LEU 883 Ca 0.07 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1wmg h LEU 883 Cb 0.88 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 1wmg h LEU 883 CO 0.08 0.48 0.34 0.00 -0.34 0.00 0.00 178.44 179.00 1wmg h ALA 884 N 1.30 0.70 -0.63 1.25 0.00 -0.71 -0.59 119.26 120.58 1wmg h ALA 884 Ca 0.28 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1wmg h ALA 884 Cb 0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1wmg h ALA 884 CO -0.12 0.17 0.28 0.37 0.00 0.00 0.00 179.25 179.95 1wmg h GLN 885 N 0.74 0.92 0.00 0.00 4.15 -0.96 -2.04 115.11 117.92 1wmg h GLN 885 Ca 0.20 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1wmg h GLN 885 Cb -0.04 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.49 1wmg h GLN 885 CO -0.04 0.75 0.00 0.87 -1.93 0.00 0.00 178.83 178.48 1wmg h LYS 886 N 0.87 0.00 -0.56 1.69 1.57 -0.45 -2.20 116.57 117.48 1wmg h LYS 886 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1wmg h LYS 886 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1wmg h LYS 886 CO -0.02 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.14 1wmg n LEU 887 N -2.69 4.02 -2.88 2.94 4.77 -0.27 -4.94 117.00 117.95 1wmg n LEU 887 Ca 0.02 -2.28 -0.07 0.00 -0.03 0.00 0.00 56.01 53.65 1wmg n LEU 887 Cb 0.30 -0.47 0.01 0.00 -2.33 0.00 0.00 43.42 40.93 1wmg n LEU 887 CO 0.25 0.82 -0.21 -1.20 -1.33 0.00 0.00 177.39 175.72 1wmg n SER 888 N 0.94 -7.72 0.00 -1.43 7.64 -0.81 -5.03 113.62 107.21 1wmg n SER 888 Ca 0.21 0.81 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1wmg n SER 888 Cb 0.71 -4.85 0.00 0.00 -1.01 0.00 0.00 64.21 59.06 1wmg n SER 888 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1wmg n ASP 890 N 0.18 0.00 0.27 6.43 5.75 -1.16 -5.02 116.55 123.00 1wmg n ASP 890 Ca 0.05 0.00 0.15 0.00 -0.01 0.00 0.00 54.79 54.98 1wmg n ASP 890 Cb 0.31 0.00 0.74 0.00 -1.03 0.00 0.00 41.12 41.14 1wmg n ASP 890 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1wmg h ARG 891 N 3.36 0.00 -0.25 0.11 2.43 -1.99 -2.94 114.38 115.09 1wmg h ARG 891 Ca 0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1wmg h ARG 891 Cb 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1wmg h ARG 891 CO 0.00 0.09 -0.03 0.66 -1.51 0.00 0.00 179.97 179.19 1wmg n TYR 892 N -3.36 0.87 -0.24 2.20 4.01 -1.26 -4.76 117.16 114.63 1wmg n TYR 892 Ca -0.01 -1.12 0.04 0.00 -0.16 0.00 0.00 57.90 56.65 1wmg n TYR 892 Cb 0.27 -0.35 0.16 0.00 -0.31 0.00 0.00 39.34 39.11 1wmg n TYR 892 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1wmg h LEU 893 N 1.31 -0.09 -2.25 7.72 3.38 -1.96 0.37 115.31 123.79 1wmg h LEU 893 Ca 0.07 0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.21 1wmg h LEU 893 Cb 1.46 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 42.43 1wmg h LEU 893 CO 0.25 -0.07 0.04 0.78 0.09 0.00 0.00 178.44 179.53 1wmg h ASN 894 N 0.21 0.00 -0.03 -0.43 2.35 -1.87 -1.21 115.58 114.61 1wmg h ASN 894 Ca 0.39 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.89 1wmg h ASN 894 Cb 0.66 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.05 1wmg h ASN 894 CO -0.53 0.00 -0.94 0.22 -1.65 0.00 0.00 177.43 174.53 1wmg h TYR 895 N 0.00 1.00 -0.32 1.19 5.03 -1.30 -3.25 116.97 119.31 1wmg h TYR 895 Ca 0.02 -0.52 -0.08 0.00 2.58 0.00 0.00 58.73 60.73 1wmg h TYR 895 Cb 0.11 -0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.25 1wmg h TYR 895 CO 0.00 1.36 -0.14 0.74 -1.32 0.00 0.00 178.16 178.80 1wmg h PHE 896 N 0.35 0.61 0.00 -3.82 0.05 -0.92 -2.82 116.94 110.39 1wmg h PHE 896 Ca -0.11 -0.10 -0.01 0.00 3.82 0.00 0.00 57.97 61.56 1wmg h PHE 896 Cb 1.60 -0.16 -0.00 0.00 2.00 0.00 0.00 35.95 39.39 1wmg h PHE 896 CO 0.11 0.68 -0.06 0.00 -0.18 0.00 0.00 178.31 178.85 1wmg h ALA 897 N 1.34 1.77 0.00 2.45 0.00 -1.33 -1.88 119.26 121.62 1wmg h ALA 897 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1wmg h ALA 897 Cb 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1wmg h ALA 897 CO 0.03 0.08 0.00 0.25 0.00 0.00 0.00 179.25 179.61 1wmg n THR 898 N -4.29 0.62 -3.13 0.00 -2.24 -1.06 -4.84 114.28 99.34 1wmg n THR 898 Ca -0.03 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.41 1wmg n THR 898 Cb 0.14 -0.81 -0.06 0.00 -2.10 0.00 0.00 70.33 67.50 1wmg n THR 898 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1wmg s LYS 899 N -3.14 4.14 0.23 -0.78 -0.14 -0.70 -4.96 119.74 114.39 1wmg s LYS 899 Ca 0.09 0.77 -0.07 0.00 -1.36 0.00 0.00 55.97 55.40 1wmg s LYS 899 Cb 0.12 -2.71 0.35 0.00 -1.68 0.00 0.00 37.83 33.91 1wmg s LYS 899 CO 0.47 0.31 1.77 0.00 -0.76 0.00 0.00 175.35 177.14 1wmg h ALA 900 N 2.99 0.98 -3.37 5.17 0.00 -1.88 -3.28 119.26 119.87 1wmg h ALA 900 Ca -0.48 0.07 -0.63 0.00 0.00 0.00 0.00 54.91 53.86 1wmg h ALA 900 Cb 1.19 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 18.56 1wmg h ALA 900 CO 0.65 -0.09 -0.69 0.45 0.00 0.00 0.00 179.25 179.58 1wmg s SER 901 N -5.46 4.29 0.40 0.00 0.15 -1.26 -4.97 113.70 106.85 1wmg s SER 901 Ca -0.13 -2.56 0.08 0.00 0.70 0.00 0.00 55.95 54.04 1wmg s SER 901 Cb 0.18 -1.45 0.86 0.00 -1.71 0.00 0.00 66.02 63.90 1wmg s SER 901 CO 0.76 -0.30 2.00 -0.65 1.20 0.00 0.00 173.24 176.26 1wmg h PRO 902 N 7.01 0.58 -0.03 5.44 0.11 -1.69 -2.05 132.00 141.37 1wmg h PRO 902 Ca -0.06 -0.03 -0.23 0.00 0.11 0.00 0.00 66.00 65.79 1wmg h PRO 902 Cb 0.95 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 31.93 1wmg h PRO 902 CO 0.58 0.38 -0.91 1.15 -0.21 0.00 0.00 178.00 178.99 1wmg h THR 903 N 0.59 1.36 -0.92 -1.15 2.02 -1.90 -2.57 112.91 110.35 1wmg h THR 903 Ca 0.24 -2.31 0.01 0.00 0.77 0.00 0.00 66.41 65.12 1wmg h THR 903 Cb 0.21 2.32 -0.05 0.00 -1.74 0.00 0.00 68.15 68.89 1wmg h THR 903 CO -0.07 0.70 0.61 1.23 0.37 0.00 0.00 175.52 178.36 1wmg h GLY 904 N 1.03 1.29 1.07 2.16 0.00 -1.76 -1.25 103.07 105.60 1wmg h GLY 904 Ca -0.08 -0.48 -0.19 0.00 0.00 0.00 0.00 47.33 46.58 1wmg h GLY 904 CO 0.16 0.47 -0.67 -2.08 0.00 0.00 0.00 176.54 174.43 1wmg h VAL 905 N 1.24 1.31 -0.84 4.60 2.07 -1.45 -2.15 116.25 121.03 1wmg h VAL 905 Ca 0.34 -1.90 0.06 0.00 0.82 0.00 0.00 66.70 66.02 1wmg h VAL 905 Cb -0.14 2.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.60 1wmg h VAL 905 CO -0.07 0.59 0.51 0.40 0.02 0.00 0.00 177.57 179.03 1wmg h ILE 906 N 0.40 1.02 0.00 4.57 2.04 -1.15 -1.03 117.51 123.36 1wmg h ILE 906 Ca -0.04 -0.32 -0.10 0.00 1.00 0.00 0.00 64.86 65.39 1wmg h ILE 906 Cb 1.30 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1wmg h ILE 906 CO 0.14 0.17 -0.49 -0.07 0.00 0.00 0.00 178.15 177.90 1wmg h LEU 907 N 0.93 0.00 -0.34 1.44 3.38 -1.17 -0.74 115.31 118.81 1wmg h LEU 907 Ca 0.37 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.24 1wmg h LEU 907 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1wmg h LEU 907 CO -0.18 0.49 -0.17 0.44 0.09 0.00 0.00 178.44 179.12 1wmg h ASP 908 N 0.00 0.74 -0.43 -0.43 3.45 -0.63 -0.73 116.42 118.38 1wmg h ASP 908 Ca -0.00 -0.41 -0.03 0.00 0.43 0.00 0.00 57.03 57.01 1wmg h ASP 908 Cb 0.90 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 39.44 1wmg h ASP 908 CO 0.06 0.98 0.14 -0.07 -1.57 0.00 0.00 179.24 178.79 1wmg h LEU 909 N 0.49 0.62 -0.26 1.55 3.38 -1.02 -1.94 115.31 118.13 1wmg h LEU 909 Ca 0.07 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.87 1wmg h LEU 909 Cb 0.71 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1wmg h LEU 909 CO 0.05 0.65 0.09 -0.25 0.09 0.00 0.00 178.44 179.08 1wmg h TRP 910 N 0.55 0.17 0.00 1.13 7.01 -1.01 -0.86 115.95 122.94 1wmg h TRP 910 Ca 0.14 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.15 1wmg h TRP 910 Cb 0.25 -0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 27.27 1wmg h TRP 910 CO 0.01 0.08 -0.01 0.93 -2.79 0.00 0.00 178.44 176.66 1wmg h GLU 911 N 0.21 0.00 -0.20 2.65 5.08 -0.94 -1.91 114.58 119.46 1wmg h GLU 911 Ca 0.11 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.28 1wmg h GLU 911 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1wmg h GLU 911 CO -0.11 0.01 -0.65 0.00 -1.00 0.00 0.00 179.01 177.26 1wmg h ALA 912 N 1.99 0.46 0.00 3.43 0.00 -0.37 -2.05 119.26 122.71 1wmg h ALA 912 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1wmg h ALA 912 Cb 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1wmg h ALA 912 CO 0.00 0.69 0.00 0.00 0.00 0.00 0.00 179.25 179.94 1wmg h ARG 913 N 0.54 0.00 -5.19 0.00 3.08 -0.74 -2.46 114.38 109.61 1wmg h ARG 913 Ca -0.02 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 1wmg h ARG 913 Cb 1.25 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.27 1wmg h ARG 913 CO 0.13 0.00 0.72 1.04 -1.07 0.00 0.00 179.97 180.80 1wmg n GLN 914 N -2.47 0.31 0.00 0.04 1.13 -1.03 -4.75 117.38 110.61 1wmg n GLN 914 Ca 0.01 -0.61 -0.00 0.00 -1.94 0.00 0.00 57.00 54.46 1wmg n GLN 914 Cb 0.22 -2.70 -0.00 0.00 0.11 0.00 0.00 30.24 27.87 1wmg n GLN 914 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 1wmg h GLN 915 N 11.86 -0.03 -3.28 -1.09 4.20 -1.89 -3.03 115.11 121.86 1wmg h GLN 915 Ca 0.01 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1wmg h GLN 915 Cb 1.04 0.01 -0.12 0.00 0.30 0.00 0.00 27.48 28.71 1wmg h GLN 915 CO 1.21 -0.02 0.02 0.16 -0.67 0.00 0.00 178.83 179.53 1wmg s ASP 916 N -3.42 -0.32 -0.27 1.46 1.47 -1.26 -4.79 116.67 109.54 1wmg s ASP 916 Ca -0.00 -0.30 -0.37 0.00 1.18 0.00 0.00 52.55 53.06 1wmg s ASP 916 Cb 0.00 0.53 -0.16 0.00 -0.34 0.00 0.00 42.92 42.95 1wmg s ASP 916 CO 0.01 -0.94 1.17 -0.67 0.68 0.00 0.00 175.17 175.42 1wmg n ASP 917 N -0.30 0.66 0.00 2.11 -0.08 -1.26 -2.74 116.55 114.94 1wmg n ASP 917 Ca -0.14 0.97 0.00 0.00 -1.51 0.00 0.00 54.79 54.11 1wmg n ASP 917 Cb 0.64 -0.73 0.00 0.00 2.34 0.00 0.00 41.12 43.36 1wmg n ASP 917 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wmg n GLY 918 N 2.60 2.91 0.21 0.27 0.00 -1.26 -4.91 105.19 105.02 1wmg n GLY 918 Ca 0.22 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.92 1wmg n GLY 918 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wmg h ASP 919 N 2.00 0.00 0.43 1.61 5.19 -1.92 -3.14 116.42 120.60 1wmg h ASP 919 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1wmg h ASP 919 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1wmg h ASP 919 CO 0.00 0.07 0.00 -0.11 -3.12 0.00 0.00 179.24 176.08 1wmg n LEU 920 N -3.12 0.10 -0.02 1.55 0.00 -1.26 -2.85 117.00 111.41 1wmg n LEU 920 Ca 0.04 0.53 -0.13 0.00 0.00 0.00 0.00 56.01 56.45 1wmg n LEU 920 Cb 0.55 -0.52 0.00 0.00 0.00 0.00 0.00 43.42 43.45 1wmg n LEU 920 CO 0.35 -0.35 0.42 -1.13 0.00 0.00 0.00 177.39 176.67 1wmg h ASN 921 N 0.00 0.77 -0.81 1.96 -0.73 -1.96 -2.91 115.58 111.90 1wmg h ASN 921 Ca 0.00 -0.44 0.07 0.00 1.87 0.00 0.00 56.30 57.80 1wmg h ASN 921 Cb 0.22 -0.22 -0.06 0.00 0.27 0.00 0.00 38.32 38.52 1wmg h ASN 921 CO 0.00 1.20 0.49 0.77 -0.37 0.00 0.00 177.43 179.52 1wmg h SER 922 N 0.51 0.75 0.27 1.15 4.64 -1.77 0.12 113.55 119.23 1wmg h SER 922 Ca -0.00 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1wmg h SER 922 Cb 1.19 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1wmg h SER 922 CO 0.12 0.47 -0.13 0.25 -0.87 0.00 0.00 176.83 176.67 1wmg h LEU 923 N 0.88 -0.31 -0.69 5.97 5.85 -1.75 -1.65 115.31 123.61 1wmg h LEU 923 Ca 0.36 -0.22 0.13 0.00 0.84 0.00 0.00 57.88 58.99 1wmg h LEU 923 Cb 0.20 0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.22 1wmg h LEU 923 CO -0.18 0.12 0.22 0.00 -0.34 0.00 0.00 178.44 178.26 1wmg h ALA 924 N -0.32 0.92 -0.64 1.25 0.00 -1.36 0.46 119.26 119.57 1wmg h ALA 924 Ca -0.04 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1wmg h ALA 924 Cb 0.51 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1wmg h ALA 924 CO 0.06 -0.26 0.39 1.03 0.00 0.00 0.00 179.25 180.48 1wmg h SER 925 N 0.36 0.63 0.05 0.00 0.87 -0.99 -1.54 113.55 112.92 1wmg h SER 925 Ca 0.38 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.95 1wmg h SER 925 Cb 0.57 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 1wmg h SER 925 CO -0.41 0.43 -0.07 0.00 -0.53 0.00 0.00 176.83 176.25 1wmg h ALA 926 N 1.29 -0.11 -0.53 6.23 0.00 0.82 -1.44 119.26 125.51 1wmg h ALA 926 Ca 0.26 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1wmg h ALA 926 Cb 0.05 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1wmg h ALA 926 CO -0.12 -0.58 0.33 -0.07 0.00 0.00 0.00 179.25 178.81 1wmg h LEU 927 N -0.15 0.54 -0.34 0.00 -0.00 -0.64 -2.81 115.31 111.92 1wmg h LEU 927 Ca 0.01 -0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.92 1wmg h LEU 927 Cb 0.15 -0.12 -0.03 0.00 -0.00 0.00 0.00 40.66 40.66 1wmg h LEU 927 CO -0.04 0.38 0.14 -0.08 -0.00 0.00 0.00 178.44 178.84 1wmg h GLU 928 N 0.66 0.29 -2.00 1.13 4.81 -1.11 0.13 114.58 118.47 1wmg h GLU 928 Ca 0.21 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1wmg h GLU 928 Cb -0.01 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 1wmg h GLU 928 CO -0.08 0.19 0.00 0.39 -0.73 0.00 0.00 179.01 178.78 1wmg n GLU 929 N -4.99 0.42 -0.59 1.92 1.02 -0.56 -4.39 120.64 113.48 1wmg n GLU 929 Ca 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1wmg n GLU 929 Cb 0.10 -1.29 -0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1wmg n GLU 929 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wmg n GLY 931 N 1.79 0.65 1.65 0.62 0.00 -0.86 -5.09 105.19 103.95 1wmg n GLY 931 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 1wmg n GLY 931 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wmg n LYS 932 N 0.04 3.46 -0.36 1.61 4.76 0.39 -4.71 118.16 123.35 1wmg n LYS 932 Ca -0.00 -3.06 0.26 0.00 -2.87 0.00 0.00 58.31 52.63 1wmg n LYS 932 Cb 0.69 -2.10 0.51 0.00 -1.84 0.00 0.00 35.03 32.29 1wmg n LYS 932 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1wmg h SER 933 N 2.43 0.46 0.00 4.39 0.02 -1.84 -3.27 113.55 115.73 1wmg h SER 933 Ca 0.17 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1wmg h SER 933 Cb 2.03 0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.66 1wmg h SER 933 CO 0.56 -0.06 0.00 -1.84 -1.14 0.00 0.00 176.83 174.35 1wmg n GLU 934 N -4.84 0.00 0.00 3.45 0.28 -1.26 -1.03 120.64 117.23 1wmg n GLU 934 Ca 0.31 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.31 1wmg n GLU 934 Cb 1.02 -0.71 0.00 0.00 1.43 0.00 0.00 31.44 33.18 1wmg n GLU 934 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 1wmg n LEU 936 N 0.35 0.00 0.23 -1.84 -0.00 -1.24 -2.89 117.00 111.61 1wmg n LEU 936 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 56.01 56.08 1wmg n LEU 936 Cb 0.00 0.00 0.56 0.00 -0.00 0.00 0.00 43.42 43.98 1wmg n LEU 936 CO 0.00 0.00 0.93 0.58 -0.00 0.00 0.00 177.39 178.90 1wmg h VAL 937 N 0.00 1.01 0.00 1.47 2.07 -1.41 -2.72 116.25 116.67 1wmg h VAL 937 Ca 0.00 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1wmg h VAL 937 Cb 0.00 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1wmg h VAL 937 CO 0.00 0.16 0.00 0.00 0.02 0.00 0.00 177.57 177.75 1wmg n ALA 938 N -2.46 2.80 0.00 1.67 0.00 -1.14 -3.09 120.51 118.29 1wmg n ALA 938 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1wmg n ALA 938 Cb 0.23 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1wmg n ALA 938 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wmg n ALA 940 N 0.93 0.00 0.30 0.00 0.00 -1.03 -2.38 120.51 118.33 1wmg n ALA 940 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1wmg n ALA 940 Cb 0.42 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.93 1wmg n ALA 940 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1wmg h THR 941 N 0.00 0.00 -3.28 0.00 2.02 -1.82 -3.47 112.91 106.36 1wmg h THR 941 Ca 0.00 -0.79 -0.42 0.00 0.77 0.00 0.00 66.41 65.97 1wmg h THR 941 Cb 0.00 1.30 -0.16 0.00 -1.74 0.00 0.00 68.15 67.55 1wmg h THR 941 CO 0.00 0.00 -0.74 -1.81 0.37 0.00 0.00 175.52 173.34 1wmg s ASP 942 N -4.88 2.21 0.00 4.18 1.01 -1.00 -5.25 116.67 112.95 1wmg s ASP 942 Ca 0.02 -0.93 0.00 0.00 0.71 0.00 0.00 52.55 52.35 1wmg s ASP 942 Cb 0.11 -0.09 0.00 0.00 1.01 0.00 0.00 42.92 43.95 1wmg s ASP 942 CO 0.77 -0.18 0.41 0.61 0.21 0.00 0.00 175.17 176.99