#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d1m s PRO 830 N 0.00 2.15 -0.15 1.61 0.05 -1.26 -4.92 135.00 132.47 3d1m s PRO 830 Ca 0.00 0.32 0.02 0.00 0.05 0.00 0.00 61.00 61.39 3d1m s PRO 830 Cb 0.00 -1.95 0.01 0.00 0.05 0.00 0.00 34.50 32.61 3d1m s PRO 830 CO 0.00 -1.51 -0.21 -1.58 0.05 0.00 0.00 177.00 173.76 3d1m s HIS 831 N -3.41 2.71 -0.27 0.56 2.46 -0.65 -4.17 115.29 112.53 3d1m s HIS 831 Ca 0.61 -1.38 -0.29 0.00 0.47 0.00 0.00 55.06 54.48 3d1m s HIS 831 Cb -0.12 -1.85 0.01 0.00 -0.13 0.00 0.00 32.58 30.49 3d1m s HIS 831 CO 0.51 -0.64 1.03 0.42 -2.47 0.00 0.00 174.74 173.60 3d1m s ILE 832 N 0.92 4.63 0.04 0.89 1.01 -1.26 -1.22 121.20 126.21 3d1m s ILE 832 Ca -0.04 1.87 -0.14 0.00 0.00 0.00 0.00 60.65 62.33 3d1m s ILE 832 Cb -0.15 -4.33 -0.34 0.00 0.01 0.00 0.00 42.46 37.65 3d1m s ILE 832 CO -0.04 -0.29 1.04 0.00 0.00 0.00 0.00 174.94 175.65 3d1m h ALA 833 N 7.73 -0.10 -2.87 9.38 0.00 -0.74 -3.48 119.26 129.17 3d1m h ALA 833 Ca -0.20 -0.85 -0.03 0.00 0.00 0.00 0.00 54.91 53.83 3d1m h ALA 833 Cb 1.06 0.14 -0.13 0.00 0.00 0.00 0.00 17.79 18.87 3d1m h ALA 833 CO 0.99 0.73 0.13 1.52 0.00 0.00 0.00 179.25 182.62 3d1m s TYR 834 N -2.68 -0.46 -0.02 0.00 1.13 -1.15 -5.02 117.35 109.14 3d1m s TYR 834 Ca -0.08 0.26 0.03 0.00 -1.41 0.00 0.00 57.07 55.87 3d1m s TYR 834 Cb 0.05 0.47 -0.00 0.00 -1.10 0.00 0.00 41.96 41.37 3d1m s TYR 834 CO 0.94 -0.79 -0.11 0.95 -2.51 0.00 0.00 175.55 174.03 3d1m s THR 835 N -3.59 0.89 -0.10 -3.49 -4.23 -1.26 -2.12 115.64 101.74 3d1m s THR 835 Ca 0.01 -0.45 -0.06 0.00 -1.18 0.00 0.00 61.69 60.01 3d1m s THR 835 Cb -0.00 -0.77 0.04 0.00 1.34 0.00 0.00 72.50 73.11 3d1m s THR 835 CO -0.11 0.26 0.25 -0.70 -0.54 0.00 0.00 174.62 173.78 3d1m s GLU 836 N -0.02 0.22 0.26 3.99 2.12 -0.12 -4.99 118.70 120.16 3d1m s GLU 836 Ca 0.00 0.49 -0.29 0.00 0.36 0.00 0.00 54.97 55.53 3d1m s GLU 836 Cb -0.07 -0.07 -0.09 0.00 0.26 0.00 0.00 34.13 34.15 3d1m s GLU 836 CO 0.00 -0.14 1.24 0.00 -0.54 0.00 0.00 175.26 175.82 3d1m s ALA 837 N 1.05 3.48 -0.31 6.30 0.00 -1.26 -0.51 121.76 130.51 3d1m s ALA 837 Ca -0.08 1.08 0.13 0.00 0.00 0.00 0.00 51.96 53.09 3d1m s ALA 837 Cb -0.09 -3.43 -0.17 0.00 0.00 0.00 0.00 23.12 19.43 3d1m s ALA 837 CO -0.07 -0.45 0.41 1.33 0.00 0.00 0.00 175.76 176.98 3d1m n VAL 838 N 1.68 0.00 -3.30 0.00 0.24 -0.38 -4.89 118.33 111.67 3d1m n VAL 838 Ca 0.02 -0.25 -0.03 0.00 -2.04 0.00 0.00 64.34 62.04 3d1m n VAL 838 Cb 0.43 0.60 0.01 0.00 -1.47 0.00 0.00 33.84 33.41 3d1m n VAL 838 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3d1m n SER 839 N -1.63 -0.79 0.03 -1.34 3.41 -1.17 -4.97 113.62 107.16 3d1m n SER 839 Ca -0.00 -1.56 0.09 0.00 -0.26 0.00 0.00 58.87 57.13 3d1m n SER 839 Cb 0.27 1.32 0.37 0.00 -0.26 0.00 0.00 64.21 65.91 3d1m n SER 839 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3d1m n ASP 840 N -1.22 0.18 0.00 4.04 5.75 -1.26 -1.62 116.55 122.41 3d1m n ASP 840 Ca -0.03 0.54 0.00 0.00 -0.01 0.00 0.00 54.79 55.29 3d1m n ASP 840 Cb 0.21 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.72 3d1m n ASP 840 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3d1m n THR 841 N -1.70 0.15 -3.93 2.12 -2.24 -1.26 -2.71 114.28 104.71 3d1m n THR 841 Ca 0.03 -0.36 -0.13 0.00 -2.27 0.00 0.00 64.05 61.32 3d1m n THR 841 Cb 0.19 1.24 -0.14 0.00 -2.10 0.00 0.00 70.33 69.53 3d1m n THR 841 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3d1m s GLN 842 N -0.15 0.10 -0.06 -0.78 -0.21 -1.25 -1.12 119.66 116.19 3d1m s GLN 842 Ca 0.00 -0.03 0.02 0.00 0.02 0.00 0.00 55.36 55.37 3d1m s GLN 842 Cb 0.00 -0.11 0.01 0.00 1.00 0.00 0.00 33.01 33.91 3d1m s GLN 842 CO 0.00 0.01 -0.11 0.42 -2.12 0.00 0.00 175.29 173.49 3d1m s ILE 843 N 0.04 1.06 -0.07 1.08 1.01 -0.21 -1.25 121.20 122.86 3d1m s ILE 843 Ca -0.00 -0.45 -0.16 0.00 0.00 0.00 0.00 60.65 60.03 3d1m s ILE 843 Cb -0.01 -0.97 -0.05 0.00 0.01 0.00 0.00 42.46 41.44 3d1m s ILE 843 CO -0.00 0.33 0.44 -0.32 0.00 0.00 0.00 174.94 175.39 3d1m s MET 844 N 0.59 4.17 0.16 2.79 -2.45 0.33 -0.52 119.30 124.36 3d1m s MET 844 Ca -0.12 0.41 0.07 0.00 -1.25 0.00 0.00 55.69 54.80 3d1m s MET 844 Cb -0.15 -3.34 -0.04 0.00 1.25 0.00 0.00 34.83 32.55 3d1m s MET 844 CO 0.03 0.39 -0.15 -0.48 1.05 0.00 0.00 175.02 175.86 3d1m s LEU 845 N -0.13 2.46 -0.01 4.11 2.34 0.38 -0.95 118.68 126.88 3d1m s LEU 845 Ca 0.24 -0.89 0.00 0.00 0.06 0.00 0.00 54.13 53.55 3d1m s LEU 845 Cb -0.16 -0.65 0.01 0.00 -0.56 0.00 0.00 46.19 44.84 3d1m s LEU 845 CO 0.11 -0.13 -0.01 -0.75 -1.06 0.00 0.00 176.35 174.52 3d1m s LYS 846 N -3.01 0.19 0.25 1.48 2.36 -0.90 -1.08 119.74 119.03 3d1m s LYS 846 Ca 0.15 0.02 0.04 0.00 -2.55 0.00 0.00 55.97 53.62 3d1m s LYS 846 Cb -0.04 -0.30 -0.05 0.00 -1.05 0.00 0.00 37.83 36.39 3d1m s LYS 846 CO 0.05 -0.05 0.01 1.67 1.55 0.00 0.00 175.35 178.57 3d1m s TRP 847 N 0.51 1.67 0.09 4.03 -2.14 -0.34 0.03 118.94 122.79 3d1m s TRP 847 Ca -0.05 -0.92 0.10 0.00 2.66 0.00 0.00 56.10 57.89 3d1m s TRP 847 Cb -0.07 -0.99 -0.03 0.00 -3.10 0.00 0.00 33.47 29.27 3d1m s TRP 847 CO -0.01 -0.01 -0.25 0.95 -2.66 0.00 0.00 176.95 174.96 3d1m s THR 848 N -3.37 2.07 0.00 0.66 -4.23 -0.36 -4.78 115.64 105.63 3d1m s THR 848 Ca 0.30 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 3d1m s THR 848 Cb 0.06 -1.82 0.00 0.00 1.34 0.00 0.00 72.50 72.08 3d1m s THR 848 CO 0.11 0.16 0.00 0.00 -0.54 0.00 0.00 174.62 174.35 3d1m n TYR 849 N 1.31 0.00 0.00 3.99 9.36 -1.26 -1.63 117.16 128.93 3d1m n TYR 849 Ca -0.18 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.04 3d1m n TYR 849 Cb 0.53 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.24 3d1m n TYR 849 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 3d1m n ILE 859 N 0.00 0.00 0.11 2.97 -0.00 -1.26 -5.10 119.36 116.08 3d1m n ILE 859 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 62.75 62.55 3d1m n ILE 859 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 39.64 39.49 3d1m n ILE 859 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 3d1m h GLN 860 N 0.00 0.38 0.00 0.38 4.20 -1.49 -3.41 115.11 115.17 3d1m h GLN 860 Ca 0.00 -0.65 0.00 0.00 0.06 0.00 0.00 58.65 58.06 3d1m h GLN 860 Cb 0.00 0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.02 3d1m h GLN 860 CO 0.00 1.30 0.00 0.41 -0.67 0.00 0.00 178.83 179.87 3d1m n GLY 861 N 1.64 -0.83 3.25 3.46 0.00 -1.05 -2.06 105.19 109.60 3d1m n GLY 861 Ca -0.13 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 44.91 3d1m n GLY 861 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d1m s PHE 862 N -3.00 1.65 -0.19 1.61 0.40 -0.12 -1.16 117.98 117.16 3d1m s PHE 862 Ca 0.00 -0.41 -0.06 0.00 -0.60 0.00 0.00 56.93 55.85 3d1m s PHE 862 Cb 0.00 -0.92 -0.03 0.00 0.51 0.00 0.00 43.02 42.57 3d1m s PHE 862 CO 0.00 0.15 0.03 0.71 0.70 0.00 0.00 175.22 176.81 3d1m s TYR 863 N -1.11 3.13 -0.20 0.36 4.12 0.93 -1.19 117.35 123.40 3d1m s TYR 863 Ca 0.05 -0.20 -0.04 0.00 0.02 0.00 0.00 57.07 56.90 3d1m s TYR 863 Cb -0.10 -2.09 -0.02 0.00 -1.52 0.00 0.00 41.96 38.24 3d1m s TYR 863 CO 0.03 -0.06 -0.03 0.42 0.02 0.00 0.00 175.55 175.92 3d1m s ILE 864 N 0.75 3.60 -0.02 2.71 1.09 0.16 -1.46 121.20 128.02 3d1m s ILE 864 Ca 0.02 -0.43 0.01 0.00 -1.10 0.00 0.00 60.65 59.14 3d1m s ILE 864 Cb -0.14 -2.62 -0.03 0.00 -1.06 0.00 0.00 42.46 38.61 3d1m s ILE 864 CO 0.02 0.44 0.00 -0.31 -0.10 0.00 0.00 174.94 174.99 3d1m s TYR 865 N 1.12 3.09 -0.16 3.97 2.02 0.71 -0.29 117.35 127.82 3d1m s TYR 865 Ca 0.02 0.11 -0.14 0.00 -0.37 0.00 0.00 57.07 56.68 3d1m s TYR 865 Cb -0.15 -1.70 0.04 0.00 -0.40 0.00 0.00 41.96 39.76 3d1m s TYR 865 CO 0.00 0.46 0.42 1.52 -1.57 0.00 0.00 175.55 176.38 3d1m s TYR 866 N -1.03 -0.47 -0.07 2.71 -0.85 -0.53 -1.96 117.35 115.16 3d1m s TYR 866 Ca 0.18 1.14 -0.10 0.00 -0.52 0.00 0.00 57.07 57.77 3d1m s TYR 866 Cb -0.11 0.16 0.02 0.00 0.38 0.00 0.00 41.96 42.41 3d1m s TYR 866 CO 0.08 -0.23 0.25 0.50 -1.52 0.00 0.00 175.55 174.63 3d1m s ARG 867 N 0.28 0.37 0.28 -3.49 3.52 -0.78 -0.46 118.95 118.67 3d1m s ARG 867 Ca -0.00 0.19 -0.30 0.00 -0.13 0.00 0.00 55.73 55.48 3d1m s ARG 867 Cb -0.03 0.17 -0.12 0.00 -1.56 0.00 0.00 34.95 33.41 3d1m s ARG 867 CO -0.00 -0.07 1.52 -2.30 -0.81 0.00 0.00 175.30 173.64 3d1m n PRO 868 N 2.52 2.46 0.25 5.12 -0.02 -1.26 -0.34 135.00 143.73 3d1m n PRO 868 Ca -0.15 0.87 0.14 0.00 -2.02 0.00 0.00 63.50 62.34 3d1m n PRO 868 Cb 0.58 -2.60 0.81 0.00 -0.02 0.00 0.00 33.50 32.27 3d1m n PRO 868 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3d1m h THR 869 N 3.19 0.65 0.00 3.45 2.02 -1.20 -0.75 112.91 120.28 3d1m h THR 869 Ca -0.46 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 3d1m h THR 869 Cb 1.24 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 68.61 3d1m h THR 869 CO 0.77 0.00 -0.01 0.44 0.37 0.00 0.00 175.52 177.09 3d1m h ASP 870 N 0.00 0.00 -3.27 4.18 3.32 -1.89 -3.41 116.42 115.35 3d1m h ASP 870 Ca 0.03 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.50 3d1m h ASP 870 Cb 0.15 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.63 3d1m h ASP 870 CO -0.00 0.01 -0.17 -0.55 -1.72 0.00 0.00 179.24 176.80 3d1m s SER 871 N -5.40 6.68 0.00 6.45 0.15 -0.29 -4.96 113.70 116.33 3d1m s SER 871 Ca -0.03 0.81 0.14 0.00 0.70 0.00 0.00 55.95 57.57 3d1m s SER 871 Cb 0.12 -2.27 0.41 0.00 -1.71 0.00 0.00 66.02 62.57 3d1m s SER 871 CO 0.46 0.08 1.34 0.47 1.20 0.00 0.00 173.24 176.79 3d1m n ASP 872 N 3.30 3.24 -4.52 5.45 10.43 -1.26 -4.87 116.55 128.31 3d1m n ASP 872 Ca -0.09 -2.00 -0.43 0.00 2.57 0.00 0.00 54.79 54.84 3d1m n ASP 872 Cb 0.52 -0.31 -0.07 0.00 1.84 0.00 0.00 41.12 43.10 3d1m n ASP 872 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 3d1m s ASN 873 N -1.00 6.33 0.00 -2.24 3.04 -1.26 -4.93 114.94 114.88 3d1m s ASN 873 Ca 0.31 -0.32 0.02 0.00 0.04 0.00 0.00 52.86 52.91 3d1m s ASN 873 Cb 0.16 -2.32 0.12 0.00 -1.54 0.00 0.00 41.25 37.67 3d1m s ASN 873 CO 0.21 -0.77 0.77 0.47 -3.04 0.00 0.00 177.10 174.74 3d1m n ASP 874 N 6.25 0.00 -0.06 -4.21 9.92 -1.26 -0.69 116.55 126.51 3d1m n ASP 874 Ca -0.02 0.13 0.13 0.00 -0.53 0.00 0.00 54.79 54.50 3d1m n ASP 874 Cb 0.48 -0.17 0.34 0.00 -0.64 0.00 0.00 41.12 41.12 3d1m n ASP 874 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3d1m n SER 875 N -1.17 0.55 -0.43 -2.24 7.64 -1.26 -4.03 113.62 112.69 3d1m n SER 875 Ca 0.01 -0.33 0.14 0.00 1.01 0.00 0.00 58.87 59.70 3d1m n SER 875 Cb 0.01 0.13 0.56 0.00 -1.01 0.00 0.00 64.21 63.90 3d1m n SER 875 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3d1m n ASP 876 N -1.29 1.32 -4.72 6.43 8.00 0.13 -4.89 116.55 121.53 3d1m n ASP 876 Ca 0.08 -1.46 -0.42 0.00 0.71 0.00 0.00 54.79 53.69 3d1m n ASP 876 Cb 0.33 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 3d1m n ASP 876 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3d1m s TYR 877 N -1.98 3.28 0.41 1.24 1.51 -1.26 -4.59 117.35 115.96 3d1m s TYR 877 Ca 0.38 1.10 -0.01 0.00 -1.01 0.00 0.00 57.07 57.53 3d1m s TYR 877 Cb 0.21 -3.62 -0.03 0.00 -0.11 0.00 0.00 41.96 38.41 3d1m s TYR 877 CO 0.33 -2.04 0.65 0.15 -1.11 0.00 0.00 175.55 173.53 3d1m s LYS 878 N 0.63 3.43 -0.06 -0.62 1.02 0.39 -4.88 119.74 119.65 3d1m s LYS 878 Ca 0.61 -0.18 0.02 0.00 0.02 0.00 0.00 55.97 56.44 3d1m s LYS 878 Cb -0.36 -2.55 0.01 0.00 -0.52 0.00 0.00 37.83 34.42 3d1m s LYS 878 CO 0.33 -0.04 -0.13 0.50 -0.92 0.00 0.00 175.35 175.09 3d1m s ARG 879 N -4.50 1.68 -0.02 1.68 3.52 -1.26 -1.45 118.95 118.60 3d1m s ARG 879 Ca 0.44 -0.43 -0.01 0.00 -0.13 0.00 0.00 55.73 55.60 3d1m s ARG 879 Cb -0.10 -1.40 -0.04 0.00 -1.56 0.00 0.00 34.95 31.85 3d1m s ARG 879 CO 0.39 0.05 0.06 -0.51 -0.81 0.00 0.00 175.30 174.49 3d1m s ASP 880 N 0.57 5.59 -0.18 -2.12 1.01 0.60 -4.94 116.67 117.21 3d1m s ASP 880 Ca -0.13 0.14 -0.06 0.00 0.71 0.00 0.00 52.55 53.22 3d1m s ASP 880 Cb -0.15 -1.60 -0.03 0.00 1.01 0.00 0.00 42.92 42.15 3d1m s ASP 880 CO 0.03 0.29 0.02 -0.69 0.21 0.00 0.00 175.17 175.03 3d1m s VAL 881 N -1.13 4.24 0.04 -1.27 1.01 -1.26 -0.66 120.40 121.36 3d1m s VAL 881 Ca 0.21 -0.22 0.09 0.00 0.00 0.00 0.00 61.98 62.05 3d1m s VAL 881 Cb -0.12 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 3d1m s VAL 881 CO 0.11 0.45 -0.24 0.68 0.00 0.00 0.00 175.10 176.10 3d1m s VAL 882 N 0.65 1.97 0.78 2.92 -7.23 -0.33 -4.98 120.40 114.18 3d1m s VAL 882 Ca 0.01 -1.30 -0.13 0.00 -1.81 0.00 0.00 61.98 58.75 3d1m s VAL 882 Cb -0.14 -1.69 0.07 0.00 0.56 0.00 0.00 36.38 35.18 3d1m s VAL 882 CO 0.02 0.34 1.18 -1.83 -0.31 0.00 0.00 175.10 174.49 3d1m s GLU 883 N -1.15 1.89 0.12 4.82 4.04 -1.26 -0.94 118.70 126.22 3d1m s GLU 883 Ca 0.10 1.64 0.21 0.00 0.04 0.00 0.00 54.97 56.96 3d1m s GLU 883 Cb -0.10 -1.82 0.84 0.00 0.02 0.00 0.00 34.13 33.08 3d1m s GLU 883 CO 0.02 -2.00 1.64 0.41 -1.84 0.00 0.00 175.26 173.49 3d1m n GLY 884 N 0.17 -1.23 0.09 -3.83 0.00 -0.87 -2.80 105.19 96.72 3d1m n GLY 884 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 3d1m n GLY 884 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3d1m n SER 885 N -1.87 0.56 -4.77 1.61 3.41 -1.26 -4.86 113.62 106.44 3d1m n SER 885 Ca 0.03 -0.39 -0.38 0.00 -0.26 0.00 0.00 58.87 57.88 3d1m n SER 885 Cb 0.23 0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.17 3d1m n SER 885 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3d1m s LYS 886 N -2.75 4.65 0.00 4.33 2.20 -1.12 -4.98 119.74 122.07 3d1m s LYS 886 Ca 0.19 1.33 0.03 0.00 -0.36 0.00 0.00 55.97 57.15 3d1m s LYS 886 Cb 0.19 -3.01 0.06 0.00 -1.51 0.00 0.00 37.83 33.56 3d1m s LYS 886 CO 0.58 0.40 0.95 1.04 -0.36 0.00 0.00 175.35 177.95 3d1m n GLN 887 N 0.98 2.09 -3.77 4.03 6.02 -1.26 -5.02 117.38 120.45 3d1m n GLN 887 Ca -0.00 -1.40 -0.10 0.00 -0.01 0.00 0.00 57.00 55.49 3d1m n GLN 887 Cb 0.49 -1.06 -0.04 0.00 1.02 0.00 0.00 30.24 30.64 3d1m n GLN 887 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 177.06 177.72 3d1m s TRP 888 N -0.81 -0.03 -0.10 1.08 1.48 -1.26 -1.20 118.94 118.10 3d1m s TRP 888 Ca 0.05 -0.31 -0.25 0.00 -1.06 0.00 0.00 56.10 54.52 3d1m s TRP 888 Cb 0.03 0.29 0.06 0.00 -1.16 0.00 0.00 33.47 32.69 3d1m s TRP 888 CO 0.04 -0.85 0.60 -1.58 -4.06 0.00 0.00 176.95 171.09 3d1m s HIS 889 N -3.88 -0.58 -0.29 1.66 2.46 -0.24 -5.00 115.29 109.41 3d1m s HIS 889 Ca 0.10 1.14 -0.06 0.00 0.47 0.00 0.00 55.06 56.71 3d1m s HIS 889 Cb 0.00 0.30 0.01 0.00 -0.13 0.00 0.00 32.58 32.76 3d1m s HIS 889 CO -0.03 -0.49 0.06 1.41 -2.47 0.00 0.00 174.74 173.22 3d1m s MET 890 N -0.76 3.10 0.09 2.88 1.75 -1.26 -0.47 119.30 124.63 3d1m s MET 890 Ca -0.08 -0.85 -0.30 0.00 -1.25 0.00 0.00 55.69 53.21 3d1m s MET 890 Cb -0.02 -3.33 -0.05 0.00 2.84 0.00 0.00 34.83 34.27 3d1m s MET 890 CO 0.06 -0.42 0.96 0.42 -0.65 0.00 0.00 175.02 175.39 3d1m s ILE 891 N 1.49 4.57 0.32 10.11 1.01 0.33 -4.93 121.20 134.09 3d1m s ILE 891 Ca 0.03 2.06 0.02 0.00 0.00 0.00 0.00 60.65 62.75 3d1m s ILE 891 Cb -0.17 -4.32 -0.01 0.00 0.01 0.00 0.00 42.46 37.98 3d1m s ILE 891 CO 0.02 0.29 0.06 0.61 0.00 0.00 0.00 174.94 175.92 3d1m n GLY 892 N 2.36 3.62 2.48 6.18 0.00 -1.26 -1.05 105.19 117.52 3d1m n GLY 892 Ca 0.03 -2.18 -0.16 0.00 0.00 0.00 0.00 46.02 43.71 3d1m n GLY 892 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3d1m n HIS 893 N -0.75 -1.29 -2.01 1.61 8.25 -1.02 -4.92 115.22 115.09 3d1m n HIS 893 Ca -0.09 0.03 -0.29 0.00 -0.26 0.00 0.00 57.72 57.12 3d1m n HIS 893 Cb 0.44 -3.31 0.06 0.00 1.12 0.00 0.00 29.99 28.29 3d1m n HIS 893 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3d1m s LEU 894 N -5.85 2.84 0.09 2.41 1.43 -0.28 -5.06 118.68 114.26 3d1m s LEU 894 Ca 0.02 0.90 -0.28 0.00 -1.03 0.00 0.00 54.13 53.74 3d1m s LEU 894 Cb -0.01 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.54 3d1m s LEU 894 CO 0.03 -1.47 0.89 -1.58 0.23 0.00 0.00 176.35 174.45 3d1m s GLN 895 N -5.34 4.62 0.42 1.70 0.74 -1.26 -4.48 119.66 116.06 3d1m s GLN 895 Ca 0.59 1.31 -0.24 0.00 0.05 0.00 0.00 55.36 57.06 3d1m s GLN 895 Cb -0.11 -3.37 -0.10 0.00 1.10 0.00 0.00 33.01 30.52 3d1m s GLN 895 CO 0.49 0.24 1.02 -2.30 -0.55 0.00 0.00 175.29 174.19 3d1m n PRO 896 N 2.79 1.36 -3.74 1.67 -0.02 -1.10 -3.40 135.00 132.56 3d1m n PRO 896 Ca 0.01 0.49 -0.23 0.00 -2.02 0.00 0.00 63.50 61.74 3d1m n PRO 896 Cb 0.50 -2.05 0.03 0.00 -0.02 0.00 0.00 33.50 31.95 3d1m n PRO 896 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3d1m n GLU 897 N 0.14 -5.01 -4.18 -0.52 2.13 -0.16 -4.96 120.64 108.08 3d1m n GLU 897 Ca 0.09 0.61 -0.19 0.00 0.66 0.00 0.00 57.16 58.34 3d1m n GLU 897 Cb 0.39 -5.22 -0.16 0.00 0.27 0.00 0.00 31.44 26.72 3d1m n GLU 897 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3d1m s THR 898 N -3.61 0.52 0.17 6.31 2.01 -1.22 -4.91 115.64 114.90 3d1m s THR 898 Ca 0.12 -0.16 -0.29 0.00 0.31 0.00 0.00 61.69 61.67 3d1m s THR 898 Cb -0.06 -0.51 -0.08 0.00 0.01 0.00 0.00 72.50 71.86 3d1m s THR 898 CO 0.82 0.20 0.90 -0.55 -0.69 0.00 0.00 174.62 175.29 3d1m s SER 899 N 0.59 7.51 0.07 3.53 0.15 -1.26 -1.16 113.70 123.13 3d1m s SER 899 Ca -0.08 1.80 0.08 0.00 0.70 0.00 0.00 55.95 58.45 3d1m s SER 899 Cb -0.11 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.60 3d1m s SER 899 CO 0.00 0.09 -0.21 -0.31 1.20 0.00 0.00 173.24 174.01 3d1m s TYR 900 N -0.73 1.82 -0.10 3.44 1.51 0.93 -0.69 117.35 123.54 3d1m s TYR 900 Ca 0.41 -0.39 -0.15 0.00 -1.01 0.00 0.00 57.07 55.93 3d1m s TYR 900 Cb -0.24 -1.05 -0.05 0.00 -0.11 0.00 0.00 41.96 40.51 3d1m s TYR 900 CO 0.29 0.15 0.39 -0.51 -1.11 0.00 0.00 175.55 174.76 3d1m s ASP 901 N -1.51 6.63 -0.06 2.29 1.01 0.54 -0.98 116.67 124.60 3d1m s ASP 901 Ca 0.07 0.75 -0.01 0.00 0.71 0.00 0.00 52.55 54.07 3d1m s ASP 901 Cb -0.09 -2.24 0.03 0.00 1.01 0.00 0.00 42.92 41.63 3d1m s ASP 901 CO 0.03 0.14 0.01 -0.63 0.21 0.00 0.00 175.17 174.93 3d1m s ILE 902 N 0.04 0.26 0.21 0.77 1.01 0.10 -1.87 121.20 121.72 3d1m s ILE 902 Ca 0.22 0.16 -0.04 0.00 0.00 0.00 0.00 60.65 60.99 3d1m s ILE 902 Cb -0.15 -0.42 -0.03 0.00 0.01 0.00 0.00 42.46 41.87 3d1m s ILE 902 CO 0.09 0.22 0.20 -1.59 0.00 0.00 0.00 174.94 173.87 3d1m s LYS 903 N 1.78 1.26 0.17 2.79 -2.85 -0.83 -0.76 119.74 121.30 3d1m s LYS 903 Ca 0.01 -1.53 -0.11 0.00 -1.00 0.00 0.00 55.97 53.35 3d1m s LYS 903 Cb -0.13 0.31 -0.00 0.00 -2.06 0.00 0.00 37.83 35.96 3d1m s LYS 903 CO -0.04 -0.44 0.33 0.00 0.10 0.00 0.00 175.35 175.31 3d1m s MET 904 N -4.12 1.21 0.04 1.78 0.23 -1.26 -0.21 119.30 116.97 3d1m s MET 904 Ca 0.34 -1.12 -0.08 0.00 -1.03 0.00 0.00 55.69 53.80 3d1m s MET 904 Cb 0.05 0.41 0.00 0.00 -1.53 0.00 0.00 34.83 33.76 3d1m s MET 904 CO 0.11 -0.46 0.17 1.14 -2.03 0.00 0.00 175.02 173.95 3d1m s GLN 905 N -3.95 0.66 0.27 3.16 -2.07 -0.53 -0.47 119.66 116.73 3d1m s GLN 905 Ca 0.16 -0.65 0.05 0.00 -1.82 0.00 0.00 55.36 53.09 3d1m s GLN 905 Cb 0.02 0.27 -0.03 0.00 -1.09 0.00 0.00 33.01 32.19 3d1m s GLN 905 CO -0.00 -0.18 0.40 0.00 -1.32 0.00 0.00 175.29 174.18 3d1m s PHE 907 N -2.06 -0.16 0.00 0.00 -0.12 -0.31 0.24 117.98 115.56 3d1m s PHE 907 Ca 0.36 0.18 0.00 0.00 -0.05 0.00 0.00 56.93 57.43 3d1m s PHE 907 Cb -0.09 0.10 0.00 0.00 -0.63 0.00 0.00 43.02 42.40 3d1m s PHE 907 CO 0.30 -0.43 0.00 0.27 -0.05 0.00 0.00 175.22 175.31 3d1m n ASN 908 N 1.04 0.23 0.18 1.98 0.23 -0.04 -1.11 115.26 117.76 3d1m n ASN 908 Ca -0.21 -0.71 0.06 0.00 -0.53 0.00 0.00 54.58 53.20 3d1m n ASN 908 Cb 0.57 0.00 0.56 0.00 -2.08 0.00 0.00 39.78 38.83 3d1m n ASN 908 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3d1m h GLU 909 N 0.00 0.16 -0.72 -3.83 9.09 -2.01 -2.03 114.58 115.24 3d1m h GLU 909 Ca 0.00 -0.01 -0.06 0.00 0.05 0.00 0.00 59.36 59.33 3d1m h GLU 909 Cb 0.00 -0.03 -0.03 0.00 -1.65 0.00 0.00 28.75 27.03 3d1m h GLU 909 CO 0.00 0.13 0.20 0.78 0.05 0.00 0.00 179.01 180.17 3d1m h GLY 910 N 0.23 1.22 0.00 1.06 0.00 -2.04 -3.49 103.07 100.06 3d1m h GLY 910 Ca 0.04 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.64 3d1m h GLY 910 CO -0.01 0.69 0.00 0.61 0.00 0.00 0.00 176.54 177.83 3d1m n GLY 911 N -0.73 -0.13 3.41 4.60 0.00 -0.76 -5.14 105.19 106.44 3d1m n GLY 911 Ca 0.06 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 3d1m n GLY 911 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d1m s GLU 912 N -2.00 2.43 1.15 1.61 8.01 -1.26 -0.86 118.70 127.79 3d1m s GLU 912 Ca 0.00 -0.78 -0.17 0.00 0.01 0.00 0.00 54.97 54.03 3d1m s GLU 912 Cb 0.00 -2.28 0.20 0.00 -4.31 0.00 0.00 34.13 27.74 3d1m s GLU 912 CO 0.00 0.57 0.38 -1.13 0.01 0.00 0.00 175.26 175.09 3d1m n SER 913 N 2.44 -2.94 -4.80 -0.19 3.41 0.14 -4.99 113.62 106.69 3d1m n SER 913 Ca -0.17 -0.39 -0.29 0.00 -0.26 0.00 0.00 58.87 57.76 3d1m n SER 913 Cb 0.52 -0.91 0.12 0.00 -0.26 0.00 0.00 64.21 63.67 3d1m n SER 913 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3d1m s GLU 914 N -3.84 1.51 0.49 4.33 -1.05 -1.26 -4.80 118.70 114.07 3d1m s GLU 914 Ca 0.51 0.37 -0.21 0.00 -0.15 0.00 0.00 54.97 55.50 3d1m s GLU 914 Cb -0.11 -1.87 -0.08 0.00 -0.44 0.00 0.00 34.13 31.63 3d1m s GLU 914 CO 0.51 -1.96 1.08 -0.06 0.95 0.00 0.00 175.26 175.78 3d1m s PHE 915 N -3.28 2.90 1.22 4.83 0.40 -1.26 -4.50 117.98 118.30 3d1m s PHE 915 Ca 0.63 1.57 -0.20 0.00 -0.60 0.00 0.00 56.93 58.33 3d1m s PHE 915 Cb -0.14 -3.18 0.29 0.00 0.51 0.00 0.00 43.02 40.50 3d1m s PHE 915 CO 0.53 -1.13 1.10 -1.54 0.70 0.00 0.00 175.22 174.89 3d1m s SER 916 N -1.80 0.75 0.89 1.36 1.04 0.38 -4.89 113.70 111.42 3d1m s SER 916 Ca 0.68 0.61 -0.14 0.00 0.48 0.00 0.00 55.95 57.57 3d1m s SER 916 Cb -0.21 -0.84 -0.02 0.00 0.10 0.00 0.00 66.02 65.06 3d1m s SER 916 CO 0.24 -4.23 0.21 -0.46 0.98 0.00 0.00 173.24 169.99 3d1m n ASN 917 N -4.83 -2.59 -4.18 7.02 6.94 -1.26 -4.70 115.26 111.66 3d1m n ASN 917 Ca 0.14 0.38 -0.34 0.00 -0.02 0.00 0.00 54.58 54.73 3d1m n ASN 917 Cb 0.60 -1.12 -0.15 0.00 -2.36 0.00 0.00 39.78 36.75 3d1m n ASN 917 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3d1m s VAL 918 N -2.20 2.66 0.20 3.53 1.01 -1.26 -4.51 120.40 119.83 3d1m s VAL 918 Ca 0.56 -1.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 3d1m s VAL 918 Cb -0.25 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 3d1m s VAL 918 CO 0.68 0.26 0.44 -0.04 0.00 0.00 0.00 175.10 176.44 3d1m s MET 919 N 1.30 3.63 -0.12 2.72 -1.94 0.06 -4.89 119.30 120.06 3d1m s MET 919 Ca 0.00 -0.06 0.03 0.00 -1.71 0.00 0.00 55.69 53.96 3d1m s MET 919 Cb -0.16 -2.77 0.01 0.00 2.01 0.00 0.00 34.83 33.92 3d1m s MET 919 CO -0.06 0.38 -0.23 0.42 -0.01 0.00 0.00 175.02 175.52 3d1m s ILE 920 N -1.82 2.04 -0.08 2.53 1.01 -1.26 -0.72 121.20 122.90 3d1m s ILE 920 Ca 0.42 -0.98 -0.05 0.00 0.00 0.00 0.00 60.65 60.04 3d1m s ILE 920 Cb -0.11 -1.79 0.04 0.00 0.01 0.00 0.00 42.46 40.61 3d1m s ILE 920 CO 0.26 0.55 0.19 0.00 0.00 0.00 0.00 174.94 175.94 3d1m s GLU 922 N 0.90 3.77 0.84 0.00 2.12 -1.26 -0.05 118.70 125.02 3d1m s GLU 922 Ca -0.07 -0.39 -0.11 0.00 0.36 0.00 0.00 54.97 54.76 3d1m s GLU 922 Cb -0.08 -3.08 0.10 0.00 0.26 0.00 0.00 34.13 31.33 3d1m s GLU 922 CO -0.05 0.33 1.12 0.95 -0.54 0.00 0.00 175.26 177.07 3d1m s THR 923 N 0.18 2.66 -2.00 -1.70 -4.23 -0.31 -4.54 115.64 105.71 3d1m s THR 923 Ca 0.02 0.22 0.17 0.00 -1.18 0.00 0.00 61.69 60.92 3d1m s THR 923 Cb -0.13 -2.48 0.47 0.00 1.34 0.00 0.00 72.50 71.71 3d1m s THR 923 CO 0.01 -0.27 1.40 0.29 -0.54 0.00 0.00 174.62 175.51