#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n1f n ILE 827 N 0.00 0.00 -2.00 4.25 -6.64 -1.26 -4.22 119.36 109.49 3n1f n ILE 827 Ca 0.00 0.00 -0.41 0.00 -1.77 0.00 0.00 62.75 60.57 3n1f n ILE 827 Cb 0.00 -0.61 -0.02 0.00 -1.44 0.00 0.00 39.64 37.57 3n1f n ILE 827 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 3n1f s THR 828 N -0.27 2.63 0.77 7.28 -4.23 -1.26 -1.95 115.64 118.62 3n1f s THR 828 Ca 0.00 0.53 -0.08 0.00 -1.18 0.00 0.00 61.69 60.96 3n1f s THR 828 Cb 0.00 -3.34 0.10 0.00 1.34 0.00 0.00 72.50 70.60 3n1f s THR 828 CO 0.00 0.08 1.09 -0.83 -0.54 0.00 0.00 174.62 174.42 3n1f s GLY 829 N 0.40 1.71 1.00 3.99 0.00 -1.26 -4.76 107.32 108.40 3n1f s GLY 829 Ca 0.60 -1.07 -0.12 0.00 0.00 0.00 0.00 44.72 44.13 3n1f s GLY 829 CO 0.43 -0.56 1.08 -4.14 0.00 0.00 0.00 173.10 169.91 3n1f s PRO 830 N -5.39 0.41 -0.17 2.90 0.02 -1.26 -4.82 135.00 126.69 3n1f s PRO 830 Ca 0.64 0.97 -0.02 0.00 0.02 0.00 0.00 61.00 62.61 3n1f s PRO 830 Cb -0.09 -1.70 -0.01 0.00 0.02 0.00 0.00 34.50 32.72 3n1f s PRO 830 CO 0.47 -2.86 -0.10 -1.58 -0.33 0.00 0.00 177.00 172.60 3n1f s HIS 831 N -2.71 2.88 -0.35 6.54 2.46 -0.34 -4.27 115.29 119.49 3n1f s HIS 831 Ca 0.66 -0.81 -0.26 0.00 0.47 0.00 0.00 55.06 55.13 3n1f s HIS 831 Cb -0.21 -1.96 0.01 0.00 -0.13 0.00 0.00 32.58 30.29 3n1f s HIS 831 CO 0.60 -0.37 0.92 0.42 -2.47 0.00 0.00 174.74 173.84 3n1f s ILE 832 N 0.84 4.61 0.10 0.89 1.01 -1.26 -0.46 121.20 126.93 3n1f s ILE 832 Ca -0.03 1.25 -0.11 0.00 0.00 0.00 0.00 60.65 61.75 3n1f s ILE 832 Cb -0.15 -4.31 -0.18 0.00 0.01 0.00 0.00 42.46 37.83 3n1f s ILE 832 CO 0.01 -0.49 1.29 0.00 0.00 0.00 0.00 174.94 175.74 3n1f h ALA 833 N 8.38 0.29 -2.87 9.38 0.00 -1.23 -3.48 119.26 129.73 3n1f h ALA 833 Ca -0.23 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.03 3n1f h ALA 833 Cb 1.08 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.74 3n1f h ALA 833 CO 0.97 0.70 0.24 1.52 0.00 0.00 0.00 179.25 182.68 3n1f s TYR 834 N -3.58 -0.53 -0.03 0.00 1.13 -1.18 -5.02 117.35 108.14 3n1f s TYR 834 Ca -0.09 0.36 0.02 0.00 -1.41 0.00 0.00 57.07 55.94 3n1f s TYR 834 Cb 0.08 0.55 0.01 0.00 -1.10 0.00 0.00 41.96 41.50 3n1f s TYR 834 CO 0.90 -0.81 -0.07 0.95 -2.51 0.00 0.00 175.55 174.01 3n1f s THR 835 N -3.55 0.66 -0.08 -3.49 -4.23 -1.26 -2.05 115.64 101.63 3n1f s THR 835 Ca 0.01 -0.27 -0.05 0.00 -1.18 0.00 0.00 61.69 60.20 3n1f s THR 835 Cb -0.01 -0.61 0.03 0.00 1.34 0.00 0.00 72.50 73.26 3n1f s THR 835 CO -0.11 0.22 0.20 -0.70 -0.54 0.00 0.00 174.62 173.69 3n1f s GLU 836 N 0.37 0.18 0.24 3.99 2.12 0.20 -4.98 118.70 120.83 3n1f s GLU 836 Ca -0.05 0.38 -0.30 0.00 0.36 0.00 0.00 54.97 55.36 3n1f s GLU 836 Cb -0.10 -0.04 -0.09 0.00 0.26 0.00 0.00 34.13 34.16 3n1f s GLU 836 CO 0.00 -0.11 1.29 0.00 -0.54 0.00 0.00 175.26 175.91 3n1f s ALA 837 N 0.77 3.51 -0.38 6.30 0.00 -1.26 -0.67 121.76 130.02 3n1f s ALA 837 Ca -0.05 1.13 0.13 0.00 0.00 0.00 0.00 51.96 53.17 3n1f s ALA 837 Cb -0.07 -3.47 -0.17 0.00 0.00 0.00 0.00 23.12 19.41 3n1f s ALA 837 CO -0.04 -0.53 0.46 1.33 0.00 0.00 0.00 175.76 176.98 3n1f n VAL 838 N 2.04 0.00 -3.32 0.00 0.24 -0.72 -4.89 118.33 111.68 3n1f n VAL 838 Ca 0.04 -0.24 -0.04 0.00 -2.04 0.00 0.00 64.34 62.07 3n1f n VAL 838 Cb 0.43 0.67 0.01 0.00 -1.47 0.00 0.00 33.84 33.48 3n1f n VAL 838 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3n1f n SER 839 N -1.58 -0.93 0.00 -1.34 3.41 -1.19 -4.98 113.62 107.01 3n1f n SER 839 Ca 0.00 -1.64 0.11 0.00 -0.26 0.00 0.00 58.87 57.08 3n1f n SER 839 Cb 0.27 1.55 0.50 0.00 -0.26 0.00 0.00 64.21 66.27 3n1f n SER 839 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3n1f n ASP 840 N -1.21 0.00 0.00 4.04 5.75 -1.26 -1.66 116.55 122.21 3n1f n ASP 840 Ca -0.04 0.29 0.00 0.00 -0.01 0.00 0.00 54.79 55.04 3n1f n ASP 840 Cb 0.24 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 3n1f n ASP 840 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3n1f n THR 841 N -1.42 0.35 -3.82 2.12 -2.24 -1.26 -2.45 114.28 105.56 3n1f n THR 841 Ca 0.07 -0.43 -0.12 0.00 -2.27 0.00 0.00 64.05 61.30 3n1f n THR 841 Cb 0.22 0.97 -0.13 0.00 -2.10 0.00 0.00 70.33 69.30 3n1f n THR 841 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3n1f s GLN 842 N -0.35 0.16 -0.04 -0.78 -0.21 -1.24 -1.18 119.66 116.01 3n1f s GLN 842 Ca 0.00 0.21 0.02 0.00 0.02 0.00 0.00 55.36 55.61 3n1f s GLN 842 Cb 0.00 0.07 0.01 0.00 1.00 0.00 0.00 33.01 34.09 3n1f s GLN 842 CO 0.00 -0.03 -0.09 0.42 -2.12 0.00 0.00 175.29 173.48 3n1f s ILE 843 N 0.13 0.81 -0.05 1.08 1.01 -0.25 -1.75 121.20 122.19 3n1f s ILE 843 Ca -0.00 -0.32 -0.14 0.00 0.00 0.00 0.00 60.65 60.18 3n1f s ILE 843 Cb -0.02 -0.76 -0.05 0.00 0.01 0.00 0.00 42.46 41.64 3n1f s ILE 843 CO -0.00 0.27 0.37 -0.32 0.00 0.00 0.00 174.94 175.26 3n1f s MET 844 N 0.58 3.97 0.10 2.79 -2.45 0.15 -0.81 119.30 123.63 3n1f s MET 844 Ca -0.10 0.31 0.06 0.00 -1.25 0.00 0.00 55.69 54.71 3n1f s MET 844 Cb -0.13 -3.28 -0.03 0.00 1.25 0.00 0.00 34.83 32.64 3n1f s MET 844 CO 0.01 0.57 -0.15 -0.48 1.05 0.00 0.00 175.02 176.02 3n1f s LEU 845 N -0.63 2.34 -0.02 4.11 2.34 -0.48 -0.62 118.68 125.72 3n1f s LEU 845 Ca 0.22 -0.72 0.02 0.00 0.06 0.00 0.00 54.13 53.71 3n1f s LEU 845 Cb -0.15 -0.59 0.01 0.00 -0.56 0.00 0.00 46.19 44.89 3n1f s LEU 845 CO 0.10 -0.09 -0.07 -0.75 -1.06 0.00 0.00 176.35 174.49 3n1f s LYS 846 N -2.20 0.78 0.28 1.48 2.36 -0.87 -1.40 119.74 120.17 3n1f s LYS 846 Ca 0.05 -0.22 0.03 0.00 -2.55 0.00 0.00 55.97 53.27 3n1f s LYS 846 Cb -0.08 -0.75 -0.06 0.00 -1.05 0.00 0.00 37.83 35.90 3n1f s LYS 846 CO 0.03 0.06 0.06 1.67 1.55 0.00 0.00 175.35 178.72 3n1f s TRP 847 N 0.30 1.72 0.14 4.03 -2.14 -0.27 -0.65 118.94 122.06 3n1f s TRP 847 Ca -0.04 -1.03 0.10 0.00 2.66 0.00 0.00 56.10 57.79 3n1f s TRP 847 Cb -0.08 -1.06 -0.04 0.00 -3.10 0.00 0.00 33.47 29.19 3n1f s TRP 847 CO 0.00 -0.13 -0.24 0.95 -2.66 0.00 0.00 176.95 174.88 3n1f s THR 848 N -3.49 2.08 -0.09 0.66 -4.23 0.39 -4.82 115.64 106.14 3n1f s THR 848 Ca 0.35 -1.78 -0.06 0.00 -1.18 0.00 0.00 61.69 59.02 3n1f s THR 848 Cb 0.08 -1.89 0.03 0.00 1.34 0.00 0.00 72.50 72.06 3n1f s THR 848 CO 0.13 -0.04 0.22 -0.47 -0.54 0.00 0.00 174.62 173.92 3n1f s TYR 849 N -1.34 -0.26 -0.40 3.99 5.04 -1.26 -1.20 117.35 121.93 3n1f s TYR 849 Ca 0.14 0.63 -0.20 0.00 -2.44 0.00 0.00 57.07 55.20 3n1f s TYR 849 Cb -0.09 0.05 0.01 0.00 0.35 0.00 0.00 41.96 42.29 3n1f s TYR 849 CO 0.06 -0.16 0.61 -1.50 -1.34 0.00 0.00 175.55 173.23 3n1f s ILE 850 N 0.60 4.89 1.27 3.14 2.07 -1.26 -5.09 121.20 126.82 3n1f s ILE 850 Ca -0.04 0.25 -0.18 0.00 -1.41 0.00 0.00 60.65 59.28 3n1f s ILE 850 Cb -0.05 -4.12 0.29 0.00 0.13 0.00 0.00 42.46 38.70 3n1f s ILE 850 CO -0.03 -0.45 0.76 -2.65 -1.91 0.00 0.00 174.94 170.65 3n1f n PRO 851 N 6.09 -3.22 -3.01 3.50 -0.02 -1.26 -5.01 135.00 132.07 3n1f n PRO 851 Ca -0.02 -0.93 -0.17 0.00 -2.02 0.00 0.00 63.50 60.35 3n1f n PRO 851 Cb 0.48 -1.95 0.01 0.00 -0.02 0.00 0.00 33.50 32.02 3n1f n PRO 851 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3n1f n THR 857 N -5.18 -2.00 -1.49 3.45 5.66 -1.26 -5.14 114.28 108.32 3n1f n THR 857 Ca 0.06 0.01 -0.32 0.00 -3.05 0.00 0.00 64.05 60.75 3n1f n THR 857 Cb 0.56 -1.80 0.07 0.00 -1.55 0.00 0.00 70.33 67.61 3n1f n THR 857 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 175.07 169.18 3n1f s PRO 858 N -3.00 2.48 0.07 1.09 0.02 -1.26 -4.88 135.00 129.53 3n1f s PRO 858 Ca 0.07 1.31 -0.31 0.00 0.02 0.00 0.00 61.00 62.09 3n1f s PRO 858 Cb -0.01 -1.92 -0.08 0.00 0.02 0.00 0.00 34.50 32.52 3n1f s PRO 858 CO 0.52 -1.48 1.58 -1.50 -0.33 0.00 0.00 177.00 175.79 3n1f s ILE 859 N -2.59 3.12 -0.07 2.83 2.07 -1.26 -4.52 121.20 120.78 3n1f s ILE 859 Ca 0.65 0.62 0.13 0.00 -1.41 0.00 0.00 60.65 60.64 3n1f s ILE 859 Cb -0.19 -3.40 -0.11 0.00 0.13 0.00 0.00 42.46 38.89 3n1f s ILE 859 CO 0.49 0.01 1.08 1.56 -1.91 0.00 0.00 174.94 176.16 3n1f h GLN 860 N 7.94 0.00 0.00 3.50 4.20 -1.35 -3.44 115.11 125.96 3n1f h GLN 860 Ca -0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.29 3n1f h GLN 860 Cb 1.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.98 3n1f h GLN 860 CO 0.92 0.54 0.00 0.41 -0.67 0.00 0.00 178.83 180.03 3n1f n GLY 861 N 1.36 -1.03 3.12 3.46 0.00 -1.07 -2.68 105.19 108.35 3n1f n GLY 861 Ca -0.05 -0.91 -0.16 0.00 0.00 0.00 0.00 46.02 44.90 3n1f n GLY 861 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3n1f s PHE 862 N -3.00 0.96 -0.18 1.61 0.40 -0.33 -1.11 117.98 116.33 3n1f s PHE 862 Ca 0.00 -0.49 -0.02 0.00 -0.60 0.00 0.00 56.93 55.82 3n1f s PHE 862 Cb 0.00 -0.55 -0.01 0.00 0.51 0.00 0.00 43.02 42.97 3n1f s PHE 862 CO 0.00 -0.01 -0.09 0.71 0.70 0.00 0.00 175.22 176.53 3n1f s TYR 863 N -1.37 2.89 -0.23 0.36 4.12 0.23 -1.37 117.35 121.97 3n1f s TYR 863 Ca -0.05 -0.83 -0.04 0.00 0.02 0.00 0.00 57.07 56.17 3n1f s TYR 863 Cb -0.10 -1.97 -0.01 0.00 -1.52 0.00 0.00 41.96 38.36 3n1f s TYR 863 CO 0.01 -0.39 -0.02 0.42 0.02 0.00 0.00 175.55 175.59 3n1f s ILE 864 N 0.92 3.53 -0.06 2.71 1.09 0.02 -0.86 121.20 128.57 3n1f s ILE 864 Ca -0.02 -0.49 -0.02 0.00 -1.10 0.00 0.00 60.65 59.02 3n1f s ILE 864 Cb -0.15 -2.65 -0.04 0.00 -1.06 0.00 0.00 42.46 38.57 3n1f s ILE 864 CO -0.00 0.37 0.05 -0.31 -0.10 0.00 0.00 174.94 174.94 3n1f s TYR 865 N 1.49 3.26 -0.11 3.97 2.02 0.61 -0.82 117.35 127.78 3n1f s TYR 865 Ca 0.05 0.24 -0.14 0.00 -0.37 0.00 0.00 57.07 56.85 3n1f s TYR 865 Cb -0.15 -1.79 0.03 0.00 -0.40 0.00 0.00 41.96 39.66 3n1f s TYR 865 CO -0.02 0.54 0.36 1.52 -1.57 0.00 0.00 175.55 176.38 3n1f s TYR 866 N -1.02 -0.36 0.09 2.71 -0.85 -0.50 -1.78 117.35 115.65 3n1f s TYR 866 Ca 0.17 0.81 -0.14 0.00 -0.52 0.00 0.00 57.07 57.40 3n1f s TYR 866 Cb -0.12 0.14 0.02 0.00 0.38 0.00 0.00 41.96 42.38 3n1f s TYR 866 CO 0.07 -0.26 0.32 -0.98 -1.52 0.00 0.00 175.55 173.18 3n1f s ARG 867 N -0.23 0.94 0.36 -3.49 1.70 -0.82 -0.53 118.95 116.88 3n1f s ARG 867 Ca -0.04 -0.71 -0.28 0.00 -0.47 0.00 0.00 55.73 54.23 3n1f s ARG 867 Cb -0.03 0.41 -0.11 0.00 -0.57 0.00 0.00 34.95 34.64 3n1f s ARG 867 CO 0.02 -0.34 1.50 -2.30 -1.08 0.00 0.00 175.30 173.11 3n1f n PRO 868 N 0.03 2.66 0.29 3.89 -0.02 -1.26 -0.19 135.00 140.41 3n1f n PRO 868 Ca -0.16 0.94 0.15 0.00 -2.02 0.00 0.00 63.50 62.40 3n1f n PRO 868 Cb 0.62 -2.67 0.90 0.00 -0.02 0.00 0.00 33.50 32.33 3n1f n PRO 868 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3n1f h THR 869 N 3.02 0.55 0.00 3.45 2.02 -1.00 -0.21 112.91 120.74 3n1f h THR 869 Ca -0.50 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.66 3n1f h THR 869 Cb 1.24 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 3n1f h THR 869 CO 0.67 0.00 0.00 0.44 0.37 0.00 0.00 175.52 177.01 3n1f h ASP 870 N 0.00 0.00 -3.31 4.18 3.32 -1.89 -3.41 116.42 115.31 3n1f h ASP 870 Ca -0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 3n1f h ASP 870 Cb 0.01 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.48 3n1f h ASP 870 CO 0.00 0.00 -0.16 -0.55 -1.72 0.00 0.00 179.24 176.81 3n1f s SER 871 N -4.48 6.67 -0.10 6.45 0.15 -0.09 -4.95 113.70 117.35 3n1f s SER 871 Ca 0.00 0.80 0.16 0.00 0.70 0.00 0.00 55.95 57.61 3n1f s SER 871 Cb 0.09 -2.27 0.58 0.00 -1.71 0.00 0.00 66.02 62.70 3n1f s SER 871 CO 0.35 0.03 1.50 0.47 1.20 0.00 0.00 173.24 176.78 3n1f n ASP 872 N 3.53 4.13 -4.47 5.45 8.00 -1.26 -4.92 116.55 127.01 3n1f n ASP 872 Ca -0.08 -2.46 -0.43 0.00 0.71 0.00 0.00 54.79 52.53 3n1f n ASP 872 Cb 0.52 -0.49 -0.08 0.00 -0.02 0.00 0.00 41.12 41.05 3n1f n ASP 872 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3n1f s ASN 873 N -1.16 6.22 0.57 -2.24 3.84 -1.26 -4.94 114.94 115.98 3n1f s ASN 873 Ca 0.42 -0.74 0.38 0.00 0.21 0.00 0.00 52.86 53.13 3n1f s ASN 873 Cb 0.28 -2.26 1.96 0.00 -0.55 0.00 0.00 41.25 40.69 3n1f s ASN 873 CO 0.19 -0.71 2.16 0.44 -2.79 0.00 0.00 177.10 176.39 3n1f h ASP 874 N 8.83 0.00 0.65 -4.21 3.32 -2.02 0.35 116.42 123.34 3n1f h ASP 874 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 3n1f h ASP 874 Cb 1.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.65 3n1f h ASP 874 CO 0.87 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 177.19 3n1f n SER 875 N -2.92 0.00 -0.23 6.45 7.64 -1.26 -3.30 113.62 120.00 3n1f n SER 875 Ca -0.02 0.42 0.13 0.00 1.01 0.00 0.00 58.87 60.41 3n1f n SER 875 Cb 0.12 -0.47 0.39 0.00 -1.01 0.00 0.00 64.21 63.25 3n1f n SER 875 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3n1f n ASP 876 N -1.47 0.98 -4.76 6.43 8.00 0.11 -4.93 116.55 120.92 3n1f n ASP 876 Ca 0.06 -0.85 -0.41 0.00 0.71 0.00 0.00 54.79 54.29 3n1f n ASP 876 Cb 0.22 0.13 -0.02 0.00 -0.02 0.00 0.00 41.12 41.43 3n1f n ASP 876 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3n1f s TYR 877 N -2.51 3.09 0.34 1.24 1.51 -1.21 -4.69 117.35 115.12 3n1f s TYR 877 Ca 0.24 1.29 0.01 0.00 -1.01 0.00 0.00 57.07 57.60 3n1f s TYR 877 Cb 0.19 -3.69 -0.03 0.00 -0.11 0.00 0.00 41.96 38.32 3n1f s TYR 877 CO 0.52 -2.04 0.52 0.15 -1.11 0.00 0.00 175.55 173.60 3n1f s LYS 878 N -1.13 3.44 -0.07 -0.62 1.02 0.31 -4.85 119.74 117.84 3n1f s LYS 878 Ca 0.53 -0.43 0.02 0.00 0.02 0.00 0.00 55.97 56.10 3n1f s LYS 878 Cb -0.40 -2.70 0.02 0.00 -0.52 0.00 0.00 37.83 34.23 3n1f s LYS 878 CO 0.48 0.16 -0.10 0.50 -0.92 0.00 0.00 175.35 175.47 3n1f s ARG 879 N -4.27 1.56 -0.12 1.68 3.52 -1.26 -1.41 118.95 118.65 3n1f s ARG 879 Ca 0.40 -0.34 -0.03 0.00 -0.13 0.00 0.00 55.73 55.62 3n1f s ARG 879 Cb -0.09 -1.37 -0.03 0.00 -1.56 0.00 0.00 34.95 31.89 3n1f s ARG 879 CO 0.35 -0.04 0.01 -0.51 -0.81 0.00 0.00 175.30 174.30 3n1f s ASP 880 N 0.90 5.29 -0.18 -2.12 1.01 0.00 -4.95 116.67 116.62 3n1f s ASP 880 Ca -0.10 0.10 -0.11 0.00 0.71 0.00 0.00 52.55 53.14 3n1f s ASP 880 Cb -0.15 -1.64 -0.05 0.00 1.01 0.00 0.00 42.92 42.09 3n1f s ASP 880 CO 0.01 0.31 0.20 -0.69 0.21 0.00 0.00 175.17 175.21 3n1f s VAL 881 N -0.46 5.37 0.06 -1.27 1.01 -1.26 -0.80 120.40 123.05 3n1f s VAL 881 Ca 0.09 0.34 0.08 0.00 0.00 0.00 0.00 61.98 62.48 3n1f s VAL 881 Cb -0.12 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 3n1f s VAL 881 CO 0.02 0.43 -0.21 -0.69 0.00 0.00 0.00 175.10 174.65 3n1f s VAL 882 N 0.33 1.71 0.52 2.92 1.01 -0.47 -5.00 120.40 121.42 3n1f s VAL 882 Ca 0.12 -1.30 -0.21 0.00 0.00 0.00 0.00 61.98 60.59 3n1f s VAL 882 Cb -0.12 -1.50 -0.06 0.00 0.00 0.00 0.00 36.38 34.69 3n1f s VAL 882 CO 0.01 0.15 1.14 -0.70 0.00 0.00 0.00 175.10 175.70 3n1f s GLU 883 N -1.37 3.48 0.13 2.72 2.12 -1.26 -1.19 118.70 123.34 3n1f s GLU 883 Ca 0.08 1.66 0.19 0.00 0.36 0.00 0.00 54.97 57.25 3n1f s GLU 883 Cb -0.09 -2.13 0.79 0.00 0.26 0.00 0.00 34.13 32.96 3n1f s GLU 883 CO 0.02 -0.76 1.57 0.41 -0.54 0.00 0.00 175.26 175.97 3n1f n GLY 884 N 0.25 -1.12 0.12 -1.50 0.00 -1.09 -1.98 105.19 99.87 3n1f n GLY 884 Ca 0.10 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.27 3n1f n GLY 884 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3n1f n SER 885 N -1.87 0.66 -4.85 1.61 3.41 -1.26 -4.84 113.62 106.49 3n1f n SER 885 Ca 0.03 -0.51 -0.35 0.00 -0.26 0.00 0.00 58.87 57.77 3n1f n SER 885 Cb 0.19 0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 64.16 3n1f n SER 885 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3n1f s LYS 886 N -2.69 3.97 0.00 4.33 2.47 -0.84 -4.97 119.74 122.01 3n1f s LYS 886 Ca 0.20 0.49 0.01 0.00 -1.56 0.00 0.00 55.97 55.11 3n1f s LYS 886 Cb 0.19 -2.90 0.02 0.00 -1.46 0.00 0.00 37.83 33.68 3n1f s LYS 886 CO 0.57 0.46 1.00 1.04 0.16 0.00 0.00 175.35 178.58 3n1f n GLN 887 N 0.72 2.84 -3.86 4.03 1.13 -1.26 -5.00 117.38 115.99 3n1f n GLN 887 Ca -0.05 -1.51 -0.10 0.00 -1.94 0.00 0.00 57.00 53.41 3n1f n GLN 887 Cb 0.52 -1.02 -0.06 0.00 0.11 0.00 0.00 30.24 29.79 3n1f n GLN 887 CO 0.00 0.00 0.00 1.67 -1.44 0.00 0.00 177.06 177.29 3n1f s TRP 888 N -0.97 0.17 -0.05 1.08 1.48 -1.26 -1.12 118.94 118.28 3n1f s TRP 888 Ca 0.02 -0.54 -0.24 0.00 -1.06 0.00 0.00 56.10 54.27 3n1f s TRP 888 Cb 0.01 0.08 0.05 0.00 -1.16 0.00 0.00 33.47 32.45 3n1f s TRP 888 CO 0.01 -0.74 0.54 -1.58 -4.06 0.00 0.00 176.95 171.13 3n1f s HIS 889 N -3.91 -0.49 -0.28 1.66 2.46 -0.49 -5.01 115.29 109.22 3n1f s HIS 889 Ca 0.12 0.87 -0.07 0.00 0.47 0.00 0.00 55.06 56.45 3n1f s HIS 889 Cb 0.02 0.29 -0.00 0.00 -0.13 0.00 0.00 32.58 32.75 3n1f s HIS 889 CO -0.04 -0.51 0.08 -1.64 -2.47 0.00 0.00 174.74 170.17 3n1f s MET 890 N -1.11 3.30 0.04 2.88 -1.94 -1.26 -1.38 119.30 119.82 3n1f s MET 890 Ca -0.11 -0.72 -0.28 0.00 -1.71 0.00 0.00 55.69 52.87 3n1f s MET 890 Cb -0.02 -3.37 -0.05 0.00 2.01 0.00 0.00 34.83 33.40 3n1f s MET 890 CO 0.07 -0.36 0.87 0.42 -0.01 0.00 0.00 175.02 176.02 3n1f s ILE 891 N 1.55 4.74 0.35 2.53 1.01 0.01 -4.93 121.20 126.46 3n1f s ILE 891 Ca 0.04 1.85 0.01 0.00 0.00 0.00 0.00 60.65 62.56 3n1f s ILE 891 Cb -0.16 -4.22 -0.00 0.00 0.01 0.00 0.00 42.46 38.08 3n1f s ILE 891 CO 0.03 0.28 0.04 0.61 0.00 0.00 0.00 174.94 175.90 3n1f n GLY 892 N 2.59 3.63 3.41 6.18 0.00 -1.26 -1.09 105.19 118.66 3n1f n GLY 892 Ca 0.01 -2.24 -0.25 0.00 0.00 0.00 0.00 46.02 43.55 3n1f n GLY 892 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3n1f n HIS 893 N -0.86 -2.29 -2.67 1.61 8.25 -1.05 -4.93 115.22 113.29 3n1f n HIS 893 Ca -0.12 0.74 -0.21 0.00 -0.26 0.00 0.00 57.72 57.87 3n1f n HIS 893 Cb 0.47 -4.35 0.04 0.00 1.12 0.00 0.00 29.99 27.27 3n1f n HIS 893 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3n1f s LEU 894 N -6.97 3.26 -0.05 2.41 1.43 -0.33 -5.07 118.68 113.38 3n1f s LEU 894 Ca 0.47 -0.10 -0.18 0.00 -1.03 0.00 0.00 54.13 53.30 3n1f s LEU 894 Cb -0.22 -2.73 -0.05 0.00 0.03 0.00 0.00 46.19 43.21 3n1f s LEU 894 CO 0.58 -1.19 0.49 -1.58 0.23 0.00 0.00 176.35 174.88 3n1f s GLN 895 N -4.77 4.21 0.41 1.70 0.74 -1.26 -4.45 119.66 116.23 3n1f s GLN 895 Ca 0.58 0.52 -0.24 0.00 0.05 0.00 0.00 55.36 56.27 3n1f s GLN 895 Cb -0.10 -3.34 -0.11 0.00 1.10 0.00 0.00 33.01 30.56 3n1f s GLN 895 CO 0.39 0.39 0.87 -2.30 -0.55 0.00 0.00 175.29 174.08 3n1f n PRO 896 N 2.81 1.09 -4.00 1.67 -0.02 -1.03 -3.34 135.00 132.19 3n1f n PRO 896 Ca -0.09 0.39 -0.29 0.00 -2.02 0.00 0.00 63.50 61.49 3n1f n PRO 896 Cb 0.52 -1.85 -0.01 0.00 -0.02 0.00 0.00 33.50 32.13 3n1f n PRO 896 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3n1f n GLU 897 N 0.31 -3.84 -4.32 -0.52 1.02 -0.17 -4.95 120.64 108.17 3n1f n GLU 897 Ca 0.10 0.45 -0.19 0.00 -0.02 0.00 0.00 57.16 57.51 3n1f n GLU 897 Cb 0.38 -4.93 -0.15 0.00 -0.02 0.00 0.00 31.44 26.72 3n1f n GLU 897 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3n1f s THR 898 N -3.62 0.66 0.01 2.62 2.01 -1.21 -4.91 115.64 111.20 3n1f s THR 898 Ca 0.33 -0.32 -0.19 0.00 0.31 0.00 0.00 61.69 61.83 3n1f s THR 898 Cb -0.18 -0.59 -0.06 0.00 0.01 0.00 0.00 72.50 71.69 3n1f s THR 898 CO 0.88 0.21 0.54 -0.55 -0.69 0.00 0.00 174.62 175.01 3n1f s SER 899 N 0.08 6.94 0.05 3.53 0.15 -1.26 -1.14 113.70 122.05 3n1f s SER 899 Ca -0.01 1.12 0.09 0.00 0.70 0.00 0.00 55.95 57.85 3n1f s SER 899 Cb -0.06 -2.34 -0.03 0.00 -1.71 0.00 0.00 66.02 61.88 3n1f s SER 899 CO 0.00 0.18 -0.24 -0.31 1.20 0.00 0.00 173.24 174.07 3n1f s TYR 900 N -0.53 2.12 -0.05 3.44 1.51 0.46 -0.39 117.35 123.90 3n1f s TYR 900 Ca 0.29 -0.40 -0.17 0.00 -1.01 0.00 0.00 57.07 55.78 3n1f s TYR 900 Cb -0.18 -1.26 -0.05 0.00 -0.11 0.00 0.00 41.96 40.36 3n1f s TYR 900 CO 0.16 0.12 0.47 -0.51 -1.11 0.00 0.00 175.55 174.69 3n1f s ASP 901 N -1.25 6.78 -0.05 2.29 1.01 0.73 -1.22 116.67 124.98 3n1f s ASP 901 Ca 0.10 0.93 0.01 0.00 0.71 0.00 0.00 52.55 54.30 3n1f s ASP 901 Cb -0.10 -2.29 0.02 0.00 1.01 0.00 0.00 42.92 41.57 3n1f s ASP 901 CO 0.02 0.13 -0.05 -0.63 0.21 0.00 0.00 175.17 174.85 3n1f s ILE 902 N -0.13 0.61 0.25 0.77 1.01 0.51 -1.95 121.20 122.28 3n1f s ILE 902 Ca 0.26 -0.16 -0.09 0.00 0.00 0.00 0.00 60.65 60.66 3n1f s ILE 902 Cb -0.16 -0.62 -0.01 0.00 0.01 0.00 0.00 42.46 41.67 3n1f s ILE 902 CO 0.13 0.24 0.41 -1.59 0.00 0.00 0.00 174.94 174.13 3n1f s LYS 903 N 0.93 1.53 0.20 2.79 -2.85 -0.73 -0.69 119.74 120.92 3n1f s LYS 903 Ca -0.11 -1.39 -0.15 0.00 -1.00 0.00 0.00 55.97 53.33 3n1f s LYS 903 Cb -0.14 0.43 0.01 0.00 -2.06 0.00 0.00 37.83 36.07 3n1f s LYS 903 CO 0.00 -0.62 0.46 0.00 0.10 0.00 0.00 175.35 175.30 3n1f s MET 904 N -3.92 1.36 0.15 1.78 0.23 -1.26 -0.29 119.30 117.36 3n1f s MET 904 Ca 0.27 -1.01 0.03 0.00 -1.03 0.00 0.00 55.69 53.95 3n1f s MET 904 Cb 0.01 0.48 -0.05 0.00 -1.53 0.00 0.00 34.83 33.74 3n1f s MET 904 CO 0.11 -0.56 -0.06 -0.65 -2.03 0.00 0.00 175.02 171.83 3n1f s GLN 905 N -3.92 1.07 0.28 3.16 -0.21 -0.04 -0.89 119.66 119.10 3n1f s GLN 905 Ca 0.13 -1.48 0.07 0.00 0.02 0.00 0.00 55.36 54.11 3n1f s GLN 905 Cb 0.00 -0.49 -0.03 0.00 1.00 0.00 0.00 33.01 33.49 3n1f s GLN 905 CO -0.00 0.00 0.26 0.00 -2.12 0.00 0.00 175.29 173.43 3n1f s PHE 907 N -2.16 0.22 0.07 0.00 -0.12 -0.27 -1.12 117.98 114.59 3n1f s PHE 907 Ca 0.36 -0.54 0.01 0.00 -0.05 0.00 0.00 56.93 56.71 3n1f s PHE 907 Cb -0.08 -0.16 -0.00 0.00 -0.63 0.00 0.00 43.02 42.16 3n1f s PHE 907 CO 0.26 -0.36 0.07 0.27 -0.05 0.00 0.00 175.22 175.41 3n1f n ASN 908 N 0.75 -0.19 -0.25 1.98 0.23 -0.15 -0.87 115.26 116.76 3n1f n ASN 908 Ca -0.19 -1.41 0.02 0.00 -0.53 0.00 0.00 54.58 52.47 3n1f n ASN 908 Cb 0.59 0.40 0.14 0.00 -2.08 0.00 0.00 39.78 38.83 3n1f n ASN 908 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3n1f h GLU 909 N 0.00 0.60 0.00 -3.83 5.08 -1.90 -2.43 114.58 112.09 3n1f h GLU 909 Ca -0.05 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3n1f h GLU 909 Cb 0.23 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3n1f h GLU 909 CO 0.07 0.39 0.00 0.41 -1.00 0.00 0.00 179.01 178.88 3n1f n GLY 910 N -1.30 -1.48 0.00 -3.84 0.00 -1.26 -5.02 105.19 92.29 3n1f n GLY 910 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3n1f n GLY 910 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n1f n GLY 911 N 0.95 0.26 3.41 -0.02 0.00 -0.92 -4.99 105.19 103.88 3n1f n GLY 911 Ca 0.05 -1.32 -0.23 0.00 0.00 0.00 0.00 46.02 44.52 3n1f n GLY 911 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3n1f s GLU 912 N -2.00 1.49 0.87 1.61 8.01 -1.26 -0.97 118.70 126.44 3n1f s GLU 912 Ca 0.00 -1.60 -0.14 0.00 0.01 0.00 0.00 54.97 53.25 3n1f s GLU 912 Cb 0.00 -1.57 0.13 0.00 -4.31 0.00 0.00 34.13 28.38 3n1f s GLU 912 CO 0.00 0.31 1.23 -1.54 0.01 0.00 0.00 175.26 175.27 3n1f s SER 913 N -3.08 3.93 0.97 -0.19 1.04 -0.28 -4.31 113.70 111.78 3n1f s SER 913 Ca 0.23 0.60 -0.12 0.00 0.48 0.00 0.00 55.95 57.14 3n1f s SER 913 Cb -0.05 -0.92 0.17 0.00 0.10 0.00 0.00 66.02 65.32 3n1f s SER 913 CO 0.10 -2.25 1.08 -1.83 0.98 0.00 0.00 173.24 171.33 3n1f s GLU 914 N -5.68 0.61 0.56 4.02 -1.05 -0.82 -4.75 118.70 111.59 3n1f s GLU 914 Ca 0.67 0.79 -0.17 0.00 -0.15 0.00 0.00 54.97 56.10 3n1f s GLU 914 Cb -0.08 -1.74 -0.05 0.00 -0.44 0.00 0.00 34.13 31.82 3n1f s GLU 914 CO 0.51 -2.68 1.07 -0.06 0.95 0.00 0.00 175.26 175.05 3n1f s PHE 915 N -2.84 2.91 1.13 4.83 0.40 -1.26 -4.02 117.98 119.13 3n1f s PHE 915 Ca 0.65 1.54 -0.19 0.00 -0.60 0.00 0.00 56.93 58.33 3n1f s PHE 915 Cb -0.20 -3.08 0.28 0.00 0.51 0.00 0.00 43.02 40.54 3n1f s PHE 915 CO 0.59 -1.15 1.02 -1.13 0.70 0.00 0.00 175.22 175.25 3n1f n SER 916 N -1.68 -1.94 -4.63 1.36 3.41 -0.07 -4.65 113.62 105.43 3n1f n SER 916 Ca 0.09 -1.13 -0.33 0.00 -0.26 0.00 0.00 58.87 57.24 3n1f n SER 916 Cb 0.52 -0.93 0.12 0.00 -0.26 0.00 0.00 64.21 63.67 3n1f n SER 916 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3n1f n ASN 917 N -4.70 0.32 -4.33 4.04 6.94 -1.26 -4.73 115.26 111.54 3n1f n ASN 917 Ca 0.14 0.54 -0.36 0.00 -0.02 0.00 0.00 54.58 54.88 3n1f n ASN 917 Cb 0.54 -1.43 -0.13 0.00 -2.36 0.00 0.00 39.78 36.40 3n1f n ASN 917 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3n1f s VAL 918 N -2.19 3.64 0.14 3.53 1.01 -1.26 -4.54 120.40 120.73 3n1f s VAL 918 Ca 0.70 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 62.17 3n1f s VAL 918 Cb -0.28 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 3n1f s VAL 918 CO 0.54 0.31 0.29 -0.04 0.00 0.00 0.00 175.10 176.21 3n1f s MET 919 N 1.50 3.46 -0.08 2.72 -1.94 0.13 -4.91 119.30 120.18 3n1f s MET 919 Ca 0.05 -0.50 0.03 0.00 -1.71 0.00 0.00 55.69 53.55 3n1f s MET 919 Cb -0.15 -2.95 0.01 0.00 2.01 0.00 0.00 34.83 33.74 3n1f s MET 919 CO -0.01 0.51 -0.18 0.42 -0.01 0.00 0.00 175.02 175.76 3n1f s ILE 920 N -1.72 1.58 -0.16 2.53 1.01 -1.26 -0.36 121.20 122.81 3n1f s ILE 920 Ca 0.36 -0.73 -0.13 0.00 0.00 0.00 0.00 60.65 60.14 3n1f s ILE 920 Cb -0.11 -1.39 0.05 0.00 0.01 0.00 0.00 42.46 41.01 3n1f s ILE 920 CO 0.28 0.45 0.42 0.00 0.00 0.00 0.00 174.94 176.10 3n1f s GLU 922 N 0.64 2.88 0.76 0.00 2.02 -1.26 -0.40 118.70 123.33 3n1f s GLU 922 Ca -0.03 -0.56 -0.11 0.00 0.02 0.00 0.00 54.97 54.28 3n1f s GLU 922 Cb -0.05 -2.73 0.05 0.00 0.10 0.00 0.00 34.13 31.50 3n1f s GLU 922 CO -0.04 0.64 1.08 0.95 0.02 0.00 0.00 175.26 177.90 3n1f s THR 923 N -1.11 3.51 -2.00 3.63 -4.23 -0.30 -4.45 115.64 110.70 3n1f s THR 923 Ca 0.20 0.49 0.14 0.00 -1.18 0.00 0.00 61.69 61.34 3n1f s THR 923 Cb -0.12 -3.14 0.38 0.00 1.34 0.00 0.00 72.50 70.97 3n1f s THR 923 CO 0.11 -0.64 1.23 0.29 -0.54 0.00 0.00 174.62 175.07