#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n1f n SER 824 N 0.00 -2.22 -4.76 1.61 3.41 -1.26 -4.18 113.62 106.22 3n1f n SER 824 Ca 0.00 0.80 -0.41 0.00 -0.26 0.00 0.00 58.87 59.00 3n1f n SER 824 Cb 0.00 -0.98 -0.04 0.00 -0.26 0.00 0.00 64.21 62.93 3n1f n SER 824 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3n1f s THR 825 N -1.69 3.34 0.62 6.66 -4.23 -1.26 -4.79 115.64 114.29 3n1f s THR 825 Ca 0.61 1.30 -0.19 0.00 -1.18 0.00 0.00 61.69 62.23 3n1f s THR 825 Cb -0.57 -3.83 -0.03 0.00 1.34 0.00 0.00 72.50 69.41 3n1f s THR 825 CO 0.61 0.29 1.26 -2.65 -0.54 0.00 0.00 174.62 173.59 3n1f n PRO 826 N 1.38 1.23 0.01 3.99 -0.02 -1.26 -4.96 135.00 135.37 3n1f n PRO 826 Ca 0.00 0.47 -0.03 0.00 -2.02 0.00 0.00 63.50 61.92 3n1f n PRO 826 Cb 0.44 -2.49 -0.01 0.00 -0.02 0.00 0.00 33.50 31.42 3n1f n PRO 826 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3n1f n ILE 827 N -1.67 1.20 -2.23 4.25 5.41 -1.26 -3.66 119.36 121.40 3n1f n ILE 827 Ca 0.14 0.29 -0.41 0.00 1.00 0.00 0.00 62.75 63.77 3n1f n ILE 827 Cb 0.47 -1.76 -0.03 0.00 -0.71 0.00 0.00 39.64 37.61 3n1f n ILE 827 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3n1f s THR 828 N -2.22 3.16 0.58 1.39 2.01 -1.26 -1.90 115.64 117.40 3n1f s THR 828 Ca -0.08 1.00 0.10 0.00 0.31 0.00 0.00 61.69 63.02 3n1f s THR 828 Cb 0.01 -3.64 0.09 0.00 0.01 0.00 0.00 72.50 68.98 3n1f s THR 828 CO 0.11 0.17 0.81 -0.83 -0.69 0.00 0.00 174.62 174.19 3n1f s GLY 829 N 0.11 1.72 0.92 4.40 0.00 -1.26 -4.76 107.32 108.45 3n1f s GLY 829 Ca 0.54 -2.16 -0.11 0.00 0.00 0.00 0.00 44.72 42.99 3n1f s GLY 829 CO 0.41 -1.68 1.09 -4.14 0.00 0.00 0.00 173.10 168.77 3n1f s PRO 830 N -4.69 1.01 -0.18 2.90 0.02 -1.26 -4.92 135.00 127.89 3n1f s PRO 830 Ca 0.62 0.96 -0.01 0.00 0.02 0.00 0.00 61.00 62.60 3n1f s PRO 830 Cb -0.06 -1.77 -0.00 0.00 0.02 0.00 0.00 34.50 32.70 3n1f s PRO 830 CO 0.39 -2.45 -0.13 -1.58 -0.33 0.00 0.00 177.00 172.90 3n1f s HIS 831 N -2.82 2.83 -0.32 6.54 2.46 -0.55 -4.20 115.29 119.22 3n1f s HIS 831 Ca 0.64 -1.10 -0.29 0.00 0.47 0.00 0.00 55.06 54.79 3n1f s HIS 831 Cb -0.20 -1.95 0.02 0.00 -0.13 0.00 0.00 32.58 30.32 3n1f s HIS 831 CO 0.58 -0.54 1.09 0.42 -2.47 0.00 0.00 174.74 173.82 3n1f s ILE 832 N 1.05 4.48 0.02 0.89 1.01 -1.26 -0.74 121.20 126.65 3n1f s ILE 832 Ca -0.01 1.70 -0.20 0.00 0.00 0.00 0.00 60.65 62.14 3n1f s ILE 832 Cb -0.15 -4.41 -0.19 0.00 0.01 0.00 0.00 42.46 37.73 3n1f s ILE 832 CO -0.03 -0.50 1.20 0.00 0.00 0.00 0.00 174.94 175.61 3n1f h ALA 833 N 8.19 0.15 -2.65 9.38 0.00 -1.31 -3.48 119.26 129.54 3n1f h ALA 833 Ca -0.21 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.20 3n1f h ALA 833 Cb 1.06 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.70 3n1f h ALA 833 CO 1.04 0.25 0.16 1.52 0.00 0.00 0.00 179.25 182.21 3n1f s TYR 834 N -3.66 -0.53 -0.04 0.00 1.13 -1.14 -5.02 117.35 108.09 3n1f s TYR 834 Ca -0.14 0.53 0.02 0.00 -1.41 0.00 0.00 57.07 56.07 3n1f s TYR 834 Cb 0.04 0.47 0.01 0.00 -1.10 0.00 0.00 41.96 41.38 3n1f s TYR 834 CO 0.79 -0.74 -0.10 0.95 -2.51 0.00 0.00 175.55 173.93 3n1f s THR 835 N -2.88 0.93 -0.08 -3.49 -4.23 -1.26 -1.85 115.64 102.78 3n1f s THR 835 Ca -0.03 -0.40 -0.04 0.00 -1.18 0.00 0.00 61.69 60.04 3n1f s THR 835 Cb -0.01 -0.85 0.04 0.00 1.34 0.00 0.00 72.50 73.02 3n1f s THR 835 CO -0.05 0.30 0.18 -0.70 -0.54 0.00 0.00 174.62 173.81 3n1f s GLU 836 N 0.45 0.15 0.32 3.99 2.12 -0.01 -4.97 118.70 120.74 3n1f s GLU 836 Ca -0.08 0.40 -0.29 0.00 0.36 0.00 0.00 54.97 55.35 3n1f s GLU 836 Cb -0.12 -0.11 -0.11 0.00 0.26 0.00 0.00 34.13 34.05 3n1f s GLU 836 CO 0.02 -0.14 1.49 0.00 -0.54 0.00 0.00 175.26 176.09 3n1f s ALA 837 N 0.99 3.63 -0.03 6.30 0.00 -1.26 -0.57 121.76 130.82 3n1f s ALA 837 Ca -0.07 1.48 0.13 0.00 0.00 0.00 0.00 51.96 53.50 3n1f s ALA 837 Cb -0.09 -3.59 -0.21 0.00 0.00 0.00 0.00 23.12 19.23 3n1f s ALA 837 CO -0.06 -0.91 0.27 1.33 0.00 0.00 0.00 175.76 176.39 3n1f n VAL 838 N 1.44 0.11 -3.36 0.00 0.24 0.07 -4.86 118.33 111.96 3n1f n VAL 838 Ca 0.04 -0.34 -0.04 0.00 -2.04 0.00 0.00 64.34 61.97 3n1f n VAL 838 Cb 0.39 0.08 0.01 0.00 -1.47 0.00 0.00 33.84 32.85 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 -2.03 -0.77 0.00 -1.34 3.41 -1.09 -4.97 113.62 106.83 3n1f n SER 839 Ca -0.05 -1.59 0.09 0.00 -0.26 0.00 0.00 58.87 57.06 3n1f n SER 839 Cb 0.42 1.30 0.44 0.00 -0.26 0.00 0.00 64.21 66.11 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 -1.32 0.00 0.00 4.04 5.75 -1.26 -1.63 116.55 122.13 3n1f n ASP 840 Ca -0.03 0.15 0.00 0.00 -0.01 0.00 0.00 54.79 54.91 3n1f n ASP 840 Cb 0.21 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 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 -1.34 0.24 -3.85 2.12 -2.24 -1.26 -2.44 114.28 105.51 3n1f n THR 841 Ca 0.07 -0.39 -0.12 0.00 -2.27 0.00 0.00 64.05 61.34 3n1f n THR 841 Cb 0.16 1.13 -0.14 0.00 -2.10 0.00 0.00 70.33 69.38 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 -0.24 0.05 -0.06 -0.78 -0.21 -1.24 -1.03 119.66 116.14 3n1f s GLN 842 Ca 0.00 0.07 0.02 0.00 0.02 0.00 0.00 55.36 55.47 3n1f s GLN 842 Cb 0.00 0.01 0.01 0.00 1.00 0.00 0.00 33.01 34.03 3n1f s GLN 842 CO 0.00 -0.02 -0.10 0.42 -2.12 0.00 0.00 175.29 173.47 3n1f s ILE 843 N 0.09 0.99 -0.06 1.08 1.01 -0.43 -0.75 121.20 123.13 3n1f s ILE 843 Ca -0.01 -0.40 -0.17 0.00 0.00 0.00 0.00 60.65 60.08 3n1f s ILE 843 Cb -0.01 -0.92 -0.05 0.00 0.01 0.00 0.00 42.46 41.49 3n1f s ILE 843 CO -0.00 0.32 0.44 -0.32 0.00 0.00 0.00 174.94 175.38 3n1f s MET 844 N 0.68 4.16 0.08 2.79 -2.45 0.26 -0.56 119.30 124.25 3n1f s MET 844 Ca -0.13 0.43 0.06 0.00 -1.25 0.00 0.00 55.69 54.81 3n1f s MET 844 Cb -0.15 -3.33 -0.03 0.00 1.25 0.00 0.00 34.83 32.57 3n1f s MET 844 CO 0.03 0.42 -0.17 -0.48 1.05 0.00 0.00 175.02 175.86 3n1f s LEU 845 N -0.22 2.26 -0.03 4.11 2.34 -0.20 -0.83 118.68 126.12 3n1f s LEU 845 Ca 0.25 -0.61 0.02 0.00 0.06 0.00 0.00 54.13 53.84 3n1f s LEU 845 Cb -0.16 -0.71 0.01 0.00 -0.56 0.00 0.00 46.19 44.76 3n1f s LEU 845 CO 0.12 0.01 -0.08 -0.75 -1.06 0.00 0.00 176.35 174.59 3n1f s LYS 846 N -1.67 0.85 0.25 1.48 2.36 -0.77 -1.44 119.74 120.79 3n1f s LYS 846 Ca 0.03 -0.25 0.03 0.00 -2.55 0.00 0.00 55.97 53.23 3n1f s LYS 846 Cb -0.10 -0.81 -0.05 0.00 -1.05 0.00 0.00 37.83 35.82 3n1f s LYS 846 CO 0.03 0.08 0.01 1.67 1.55 0.00 0.00 175.35 178.69 3n1f s TRP 847 N 0.27 1.64 -0.05 4.03 -2.14 -0.45 -0.82 118.94 121.41 3n1f s TRP 847 Ca -0.04 -0.94 0.05 0.00 2.66 0.00 0.00 56.10 57.83 3n1f s TRP 847 Cb -0.09 -0.97 -0.02 0.00 -3.10 0.00 0.00 33.47 29.30 3n1f s TRP 847 CO 0.00 -0.05 -0.20 0.95 -2.66 0.00 0.00 176.95 174.99 3n1f s THR 848 N -3.41 2.51 -0.04 0.66 -4.23 0.08 -4.78 115.64 106.43 3n1f s THR 848 Ca 0.30 -0.92 -0.02 0.00 -1.18 0.00 0.00 61.69 59.88 3n1f s THR 848 Cb 0.06 -1.95 0.03 0.00 1.34 0.00 0.00 72.50 71.99 3n1f s THR 848 CO 0.10 0.58 0.06 -0.47 -0.54 0.00 0.00 174.62 174.34 3n1f s TYR 849 N -0.42 0.10 -0.39 3.99 5.04 -1.26 -1.48 117.35 122.93 3n1f s TYR 849 Ca 0.04 0.23 -0.14 0.00 -2.44 0.00 0.00 57.07 54.77 3n1f s TYR 849 Cb -0.12 -0.50 0.02 0.00 0.35 0.00 0.00 41.96 41.71 3n1f s TYR 849 CO 0.02 -0.20 0.27 0.42 -1.34 0.00 0.00 175.55 174.71 3n1f s ILE 850 N 2.15 5.06 0.37 3.14 -1.09 -1.26 -4.99 121.20 124.60 3n1f s ILE 850 Ca 0.05 -0.66 0.09 0.00 -2.23 0.00 0.00 60.65 57.90 3n1f s ILE 850 Cb -0.12 -3.79 0.31 0.00 -1.58 0.00 0.00 42.46 37.28 3n1f s ILE 850 CO -0.03 -0.25 1.93 -0.65 -1.23 0.00 0.00 174.94 174.71 3n1f h PRO 851 N 8.56 0.64 -0.04 2.79 0.11 -1.99 0.20 132.00 142.27 3n1f h PRO 851 Ca -0.27 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.81 3n1f h PRO 851 Cb 1.12 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 3n1f h PRO 851 CO 0.70 0.42 0.16 0.66 -0.21 0.00 0.00 178.00 179.74 3n1f h SER 852 N 0.66 0.00 0.23 -2.05 4.64 -1.94 0.40 113.55 115.49 3n1f h SER 852 Ca 0.36 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.66 3n1f h SER 852 Cb 0.51 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3n1f h SER 852 CO -0.14 0.00 -0.10 0.77 -0.87 0.00 0.00 176.83 176.49 3n1f h SER 853 N 0.00 0.00 -0.77 4.97 4.64 -1.02 -1.33 113.55 120.04 3n1f h SER 853 Ca 0.02 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.79 3n1f h SER 853 Cb 0.35 0.00 -0.43 0.00 -0.31 0.00 0.00 62.40 62.01 3n1f h SER 853 CO -0.00 0.10 -0.82 0.59 -0.87 0.00 0.00 176.83 175.82 3n1f n ASN 854 N -3.85 4.83 -3.21 4.97 5.03 -0.78 -4.74 115.26 117.51 3n1f n ASN 854 Ca -0.02 -3.70 -0.23 0.00 0.87 0.00 0.00 54.58 51.49 3n1f n ASN 854 Cb 0.20 -0.35 0.02 0.00 -1.02 0.00 0.00 39.78 38.63 3n1f n ASN 854 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3n1f n ASN 855 N -0.70 -5.30 -2.36 6.41 5.15 -0.50 -1.34 115.26 116.62 3n1f n ASN 855 Ca 0.43 -0.36 -0.15 0.00 -0.60 0.00 0.00 54.58 53.90 3n1f n ASN 855 Cb 0.95 -4.29 -0.01 0.00 -0.53 0.00 0.00 39.78 35.90 3n1f n ASN 855 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3n1f n ASN 856 N -2.49 -4.51 -4.77 1.20 3.02 0.06 -4.92 115.26 102.85 3n1f n ASN 856 Ca -0.07 0.14 -0.40 0.00 -0.03 0.00 0.00 54.58 54.22 3n1f n ASN 856 Cb 0.59 -3.82 0.01 0.00 -0.61 0.00 0.00 39.78 35.95 3n1f n ASN 856 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 3n1f n THR 857 N -3.48 2.57 -1.99 3.41 5.66 -0.45 -4.92 114.28 115.07 3n1f n THR 857 Ca -0.18 -0.50 -0.38 0.00 -3.05 0.00 0.00 64.05 59.94 3n1f n THR 857 Cb 0.63 -1.90 0.01 0.00 -1.55 0.00 0.00 70.33 67.52 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 -2.36 3.56 -0.17 1.09 0.02 -1.26 -5.00 135.00 130.89 3n1f s PRO 858 Ca 0.59 2.09 0.01 0.00 0.02 0.00 0.00 61.00 63.70 3n1f s PRO 858 Cb -0.45 -2.44 0.01 0.00 0.02 0.00 0.00 34.50 31.63 3n1f s PRO 858 CO 0.59 -0.81 -0.17 0.42 -0.33 0.00 0.00 177.00 176.71 3n1f s ILE 859 N -1.36 2.40 0.13 2.83 -1.09 -1.26 -4.68 121.20 118.17 3n1f s ILE 859 Ca 0.65 -0.84 -0.00 0.00 -2.23 0.00 0.00 60.65 58.22 3n1f s ILE 859 Cb -0.36 -2.01 -0.20 0.00 -1.58 0.00 0.00 42.46 38.30 3n1f s ILE 859 CO 0.45 0.52 1.28 1.56 -1.23 0.00 0.00 174.94 177.52 3n1f h GLN 860 N 7.63 0.23 0.00 2.79 4.20 -1.33 -3.41 115.11 125.22 3n1f h GLN 860 Ca -0.38 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.03 3n1f h GLN 860 Cb 1.17 0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.05 3n1f h GLN 860 CO 0.59 1.06 0.00 0.41 -0.67 0.00 0.00 178.83 180.23 3n1f n GLY 861 N 1.14 -0.85 3.26 3.46 0.00 -1.12 -2.12 105.19 108.96 3n1f n GLY 861 Ca -0.05 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.93 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 1.60 -0.19 1.61 0.40 -0.21 -1.19 117.98 117.01 3n1f s PHE 862 Ca 0.00 -0.45 -0.04 0.00 -0.60 0.00 0.00 56.93 55.84 3n1f s PHE 862 Cb 0.00 -0.87 -0.02 0.00 0.51 0.00 0.00 43.02 42.64 3n1f s PHE 862 CO 0.00 0.17 -0.02 0.71 0.70 0.00 0.00 175.22 176.78 3n1f s TYR 863 N -1.39 3.01 -0.21 0.36 4.12 -0.08 -0.93 117.35 122.23 3n1f s TYR 863 Ca 0.05 -0.48 -0.04 0.00 0.02 0.00 0.00 57.07 56.63 3n1f s TYR 863 Cb -0.09 -2.04 -0.01 0.00 -1.52 0.00 0.00 41.96 38.30 3n1f s TYR 863 CO 0.04 -0.22 -0.05 0.42 0.02 0.00 0.00 175.55 175.76 3n1f s ILE 864 N 0.85 3.39 -0.08 2.71 1.01 0.20 -0.88 121.20 128.40 3n1f s ILE 864 Ca -0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 60.65 60.15 3n1f s ILE 864 Cb -0.14 -2.53 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 3n1f s ILE 864 CO 0.02 0.44 -0.05 -0.31 0.00 0.00 0.00 174.94 175.03 3n1f s TYR 865 N 1.28 2.98 -0.06 3.97 2.02 0.22 -0.65 117.35 127.11 3n1f s TYR 865 Ca 0.03 -0.00 -0.09 0.00 -0.37 0.00 0.00 57.07 56.64 3n1f s TYR 865 Cb -0.14 -1.76 0.02 0.00 -0.40 0.00 0.00 41.96 39.68 3n1f s TYR 865 CO -0.02 0.30 0.24 1.52 -1.57 0.00 0.00 175.55 176.02 3n1f s TYR 866 N -0.65 -0.20 -0.05 2.71 -0.85 -0.45 -1.80 117.35 116.06 3n1f s TYR 866 Ca 0.10 0.46 -0.08 0.00 -0.52 0.00 0.00 57.07 57.03 3n1f s TYR 866 Cb -0.12 0.07 0.02 0.00 0.38 0.00 0.00 41.96 42.31 3n1f s TYR 866 CO 0.02 -0.20 0.20 0.50 -1.52 0.00 0.00 175.55 174.56 3n1f s ARG 867 N -0.35 0.35 0.27 -3.49 3.52 -0.54 -0.69 118.95 118.02 3n1f s ARG 867 Ca -0.05 0.07 -0.30 0.00 -0.13 0.00 0.00 55.73 55.32 3n1f s ARG 867 Cb -0.03 0.16 -0.12 0.00 -1.56 0.00 0.00 34.95 33.40 3n1f s ARG 867 CO 0.01 -0.07 1.58 -2.30 -0.81 0.00 0.00 175.30 173.72 3n1f n PRO 868 N 2.41 2.60 0.13 5.12 -0.02 -1.26 -0.16 135.00 143.83 3n1f n PRO 868 Ca -0.16 0.93 0.16 0.00 -2.02 0.00 0.00 63.50 62.40 3n1f n PRO 868 Cb 0.57 -2.70 0.71 0.00 -0.02 0.00 0.00 33.50 32.07 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 3.36 0.74 0.00 3.45 2.02 -1.00 -0.46 112.91 121.02 3n1f h THR 869 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.72 3n1f h THR 869 Cb 1.23 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 3n1f h THR 869 CO 0.81 0.00 0.00 0.44 0.37 0.00 0.00 175.52 177.14 3n1f h ASP 870 N 0.00 0.00 -3.21 4.18 3.32 -1.89 -3.42 116.42 115.40 3n1f h ASP 870 Ca 0.13 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.59 3n1f h ASP 870 Cb 0.56 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.04 3n1f h ASP 870 CO -0.00 0.00 -0.21 -0.55 -1.72 0.00 0.00 179.24 176.76 3n1f s SER 871 N -4.87 6.66 -0.10 6.45 0.15 -0.18 -4.96 113.70 116.85 3n1f s SER 871 Ca -0.03 0.79 0.15 0.00 0.70 0.00 0.00 55.95 57.56 3n1f s SER 871 Cb 0.10 -2.25 0.48 0.00 -1.71 0.00 0.00 66.02 62.65 3n1f s SER 871 CO 0.37 0.14 1.40 0.47 1.20 0.00 0.00 173.24 176.82 3n1f n ASP 872 N 3.02 3.71 -4.51 5.45 10.43 -1.26 -4.90 116.55 128.49 3n1f n ASP 872 Ca -0.11 -2.54 -0.43 0.00 2.57 0.00 0.00 54.79 54.29 3n1f n ASP 872 Cb 0.52 -0.43 -0.06 0.00 1.84 0.00 0.00 41.12 42.99 3n1f n ASP 872 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 3n1f s ASN 873 N -1.39 6.32 0.00 -2.24 3.84 -1.26 -4.94 114.94 115.28 3n1f s ASN 873 Ca 0.37 -0.41 0.09 0.00 0.21 0.00 0.00 52.86 53.12 3n1f s ASN 873 Cb 0.26 -2.35 0.40 0.00 -0.55 0.00 0.00 41.25 39.01 3n1f s ASN 873 CO 0.14 -0.90 1.28 0.47 -2.79 0.00 0.00 177.10 175.30 3n1f n ASP 874 N 6.53 0.00 -0.05 -4.21 8.00 -1.26 -0.78 116.55 124.78 3n1f n ASP 874 Ca -0.01 0.46 0.15 0.00 0.71 0.00 0.00 54.79 56.10 3n1f n ASP 874 Cb 0.47 -0.48 0.69 0.00 -0.02 0.00 0.00 41.12 41.78 3n1f n ASP 874 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3n1f n SER 875 N -1.48 0.21 -0.90 -2.24 7.64 -1.26 -4.07 113.62 111.53 3n1f n SER 875 Ca 0.02 -0.34 0.09 0.00 1.01 0.00 0.00 58.87 59.65 3n1f n SER 875 Cb 0.10 -0.18 0.25 0.00 -1.01 0.00 0.00 64.21 63.37 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 -1.15 2.62 -4.74 6.43 8.00 0.04 -4.91 116.55 122.85 3n1f n ASP 876 Ca 0.14 -1.95 -0.41 0.00 0.71 0.00 0.00 54.79 53.28 3n1f n ASP 876 Cb 0.26 -0.29 -0.04 0.00 -0.02 0.00 0.00 41.12 41.03 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 -1.42 3.52 0.30 1.24 1.51 -1.26 -4.62 117.35 116.62 3n1f s TYR 877 Ca 0.34 1.52 -0.05 0.00 -1.01 0.00 0.00 57.07 57.87 3n1f s TYR 877 Cb 0.18 -3.35 -0.05 0.00 -0.11 0.00 0.00 41.96 38.64 3n1f s TYR 877 CO 0.24 -0.88 0.56 0.21 -1.11 0.00 0.00 175.55 174.58 3n1f s LYS 878 N -0.29 3.62 -0.07 -0.62 2.20 0.13 -4.86 119.74 119.85 3n1f s LYS 878 Ca 0.51 -0.01 0.03 0.00 -0.36 0.00 0.00 55.97 56.14 3n1f s LYS 878 Cb -0.31 -2.63 0.01 0.00 -1.51 0.00 0.00 37.83 33.38 3n1f s LYS 878 CO 0.36 0.19 -0.17 0.50 -0.36 0.00 0.00 175.35 175.86 3n1f s ARG 879 N -3.66 2.19 -0.05 4.03 3.52 -1.26 -1.34 118.95 122.38 3n1f s ARG 879 Ca 0.44 -0.61 -0.01 0.00 -0.13 0.00 0.00 55.73 55.41 3n1f s ARG 879 Cb -0.11 -1.75 -0.04 0.00 -1.56 0.00 0.00 34.95 31.50 3n1f s ARG 879 CO 0.31 0.12 0.05 -0.51 -0.81 0.00 0.00 175.30 174.46 3n1f s ASP 880 N 0.43 5.51 -0.20 -2.12 1.01 0.17 -4.95 116.67 116.53 3n1f s ASP 880 Ca -0.14 0.16 -0.07 0.00 0.71 0.00 0.00 52.55 53.21 3n1f s ASP 880 Cb -0.16 -1.57 -0.04 0.00 1.01 0.00 0.00 42.92 42.16 3n1f s ASP 880 CO 0.05 0.33 0.05 -0.69 0.21 0.00 0.00 175.17 175.12 3n1f s VAL 881 N -1.05 4.59 0.09 -1.27 1.01 -1.26 -0.63 120.40 121.87 3n1f s VAL 881 Ca 0.18 -0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.15 3n1f s VAL 881 Cb -0.12 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 3n1f s VAL 881 CO 0.08 0.43 -0.24 -0.69 0.00 0.00 0.00 175.10 174.68 3n1f s VAL 882 N 0.67 1.97 0.65 2.92 1.01 -0.11 -4.99 120.40 122.52 3n1f s VAL 882 Ca 0.03 -1.50 -0.17 0.00 0.00 0.00 0.00 61.98 60.33 3n1f s VAL 882 Cb -0.13 -1.73 -0.00 0.00 0.00 0.00 0.00 36.38 34.51 3n1f s VAL 882 CO 0.02 0.14 1.23 -1.61 0.00 0.00 0.00 175.10 174.88 3n1f s GLU 883 N -1.65 2.58 0.05 2.72 0.41 -1.26 -1.04 118.70 120.51 3n1f s GLU 883 Ca 0.10 1.87 0.13 0.00 -0.41 0.00 0.00 54.97 56.66 3n1f s GLU 883 Cb -0.10 -1.87 0.57 0.00 -1.78 0.00 0.00 34.13 30.95 3n1f s GLU 883 CO 0.04 -1.53 1.41 0.41 -0.49 0.00 0.00 175.26 175.11 3n1f n GLY 884 N 0.56 -0.93 0.05 -1.39 0.00 -0.90 -2.46 105.19 100.12 3n1f n GLY 884 Ca 0.14 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.62 0.66 -4.80 1.61 3.41 -1.26 -4.85 113.62 106.77 3n1f n SER 885 Ca 0.02 -0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.28 3n1f n SER 885 Cb 0.14 0.50 -0.05 0.00 -0.26 0.00 0.00 64.21 64.54 3n1f n SER 885 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3n1f s LYS 886 N -3.21 4.21 0.00 4.33 -0.14 -1.03 -4.96 119.74 118.94 3n1f s LYS 886 Ca 0.04 1.32 0.00 0.00 -1.36 0.00 0.00 55.97 55.98 3n1f s LYS 886 Cb 0.13 -2.40 0.00 0.00 -1.68 0.00 0.00 37.83 33.88 3n1f s LYS 886 CO 0.77 -0.07 0.90 1.04 -0.76 0.00 0.00 175.35 177.23 3n1f n GLN 887 N -0.28 2.38 -3.95 1.68 1.13 -1.26 -5.03 117.38 112.05 3n1f n GLN 887 Ca 0.06 -1.31 -0.09 0.00 -1.94 0.00 0.00 57.00 53.71 3n1f n GLN 887 Cb 0.52 -0.94 -0.07 0.00 0.11 0.00 0.00 30.24 29.85 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 -0.82 0.38 -0.09 1.08 1.48 -1.26 -1.35 118.94 118.36 3n1f s TRP 888 Ca 0.00 -0.75 -0.24 0.00 -1.06 0.00 0.00 56.10 54.05 3n1f s TRP 888 Cb 0.00 -0.08 0.06 0.00 -1.16 0.00 0.00 33.47 32.29 3n1f s TRP 888 CO 0.00 -0.68 0.57 -1.58 -4.06 0.00 0.00 176.95 171.20 3n1f s HIS 889 N -3.95 -0.55 -0.31 1.66 2.46 -0.52 -5.01 115.29 109.07 3n1f s HIS 889 Ca 0.15 1.07 -0.10 0.00 0.47 0.00 0.00 55.06 56.65 3n1f s HIS 889 Cb 0.04 0.28 -0.01 0.00 -0.13 0.00 0.00 32.58 32.75 3n1f s HIS 889 CO -0.02 -0.47 0.17 -1.64 -2.47 0.00 0.00 174.74 170.32 3n1f s MET 890 N -0.77 3.43 0.05 2.88 -1.94 -1.26 -1.03 119.30 120.66 3n1f s MET 890 Ca -0.08 -0.67 -0.28 0.00 -1.71 0.00 0.00 55.69 52.95 3n1f s MET 890 Cb -0.02 -3.62 -0.05 0.00 2.01 0.00 0.00 34.83 33.14 3n1f s MET 890 CO 0.06 -0.40 0.88 0.42 -0.01 0.00 0.00 175.02 175.97 3n1f s ILE 891 N 1.65 4.70 0.19 2.53 1.01 0.28 -4.93 121.20 126.63 3n1f s ILE 891 Ca 0.05 1.88 0.01 0.00 0.00 0.00 0.00 60.65 62.59 3n1f s ILE 891 Cb -0.17 -4.24 -0.00 0.00 0.01 0.00 0.00 42.46 38.06 3n1f s ILE 891 CO 0.08 0.29 0.04 0.61 0.00 0.00 0.00 174.94 175.95 3n1f n GLY 892 N 2.51 3.81 3.47 6.18 0.00 -1.26 -1.31 105.19 118.59 3n1f n GLY 892 Ca 0.01 -2.12 -0.25 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.46 -2.35 -2.78 1.61 8.25 -1.04 -4.92 115.22 113.52 3n1f n HIS 893 Ca -0.05 0.78 -0.20 0.00 -0.26 0.00 0.00 57.72 57.99 3n1f n HIS 893 Cb 0.27 -4.40 0.04 0.00 1.12 0.00 0.00 29.99 27.02 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 -7.03 3.35 0.11 2.41 1.43 -0.20 -5.06 118.68 113.69 3n1f s LEU 894 Ca 0.50 -0.25 -0.14 0.00 -1.03 0.00 0.00 54.13 53.20 3n1f s LEU 894 Cb -0.23 -2.61 -0.07 0.00 0.03 0.00 0.00 46.19 43.31 3n1f s LEU 894 CO 0.62 -1.11 0.51 -1.10 0.23 0.00 0.00 176.35 175.50 3n1f s GLN 895 N -4.66 3.97 0.65 1.70 -1.52 -1.26 -4.47 119.66 114.07 3n1f s GLN 895 Ca 0.58 0.47 -0.18 0.00 -1.95 0.00 0.00 55.36 54.28 3n1f s GLN 895 Cb -0.09 -3.03 -0.01 0.00 -0.22 0.00 0.00 33.01 29.66 3n1f s GLN 895 CO 0.37 0.54 1.28 -2.30 -0.25 0.00 0.00 175.29 174.94 3n1f n PRO 896 N 1.09 1.12 -4.12 2.91 -0.02 -1.02 -3.56 135.00 131.40 3n1f n PRO 896 Ca -0.08 0.44 -0.29 0.00 -2.02 0.00 0.00 63.50 61.55 3n1f n PRO 896 Cb 0.52 -2.52 -0.05 0.00 -0.02 0.00 0.00 33.50 31.43 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 -1.85 -2.44 -4.39 -0.52 1.02 0.30 -4.95 120.64 107.82 3n1f n GLU 897 Ca 0.16 0.29 -0.21 0.00 -0.02 0.00 0.00 57.16 57.38 3n1f n GLU 897 Cb 0.48 -4.29 -0.16 0.00 -0.02 0.00 0.00 31.44 27.45 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 -4.00 0.81 0.09 2.62 2.01 -1.23 -4.92 115.64 111.01 3n1f s THR 898 Ca 0.11 -0.34 -0.26 0.00 0.31 0.00 0.00 61.69 61.51 3n1f s THR 898 Cb -0.06 -0.74 -0.06 0.00 0.01 0.00 0.00 72.50 71.65 3n1f s THR 898 CO 0.93 0.26 0.80 -0.55 -0.69 0.00 0.00 174.62 175.37 3n1f s SER 899 N 0.41 7.31 0.07 3.53 0.15 -1.26 -1.57 113.70 122.33 3n1f s SER 899 Ca -0.07 1.56 0.08 0.00 0.70 0.00 0.00 55.95 58.22 3n1f s SER 899 Cb -0.11 -2.49 -0.03 0.00 -1.71 0.00 0.00 66.02 61.67 3n1f s SER 899 CO 0.01 0.06 -0.23 -0.31 1.20 0.00 0.00 173.24 173.97 3n1f s TYR 900 N -0.36 2.01 -0.08 3.44 1.51 0.76 -0.37 117.35 124.26 3n1f s TYR 900 Ca 0.39 -0.39 -0.15 0.00 -1.01 0.00 0.00 57.07 55.91 3n1f s TYR 900 Cb -0.22 -1.17 -0.05 0.00 -0.11 0.00 0.00 41.96 40.41 3n1f s TYR 900 CO 0.25 0.15 0.37 -0.51 -1.11 0.00 0.00 175.55 174.70 3n1f s ASP 901 N -1.43 6.64 -0.04 2.29 1.01 0.78 -0.82 116.67 125.09 3n1f s ASP 901 Ca 0.09 0.76 0.00 0.00 0.71 0.00 0.00 52.55 54.11 3n1f s ASP 901 Cb -0.09 -2.23 0.03 0.00 1.01 0.00 0.00 42.92 41.64 3n1f s ASP 901 CO 0.03 0.19 -0.01 -0.63 0.21 0.00 0.00 175.17 174.95 3n1f s ILE 902 N -0.22 0.32 0.22 0.77 1.01 0.08 -1.47 121.20 121.91 3n1f s ILE 902 Ca 0.21 0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.78 3n1f s ILE 902 Cb -0.15 -0.40 -0.00 0.00 0.01 0.00 0.00 42.46 41.91 3n1f s ILE 902 CO 0.09 0.19 0.41 -1.59 0.00 0.00 0.00 174.94 174.04 3n1f s LYS 903 N 1.16 1.41 0.16 2.79 -2.85 -0.74 -0.74 119.74 120.92 3n1f s LYS 903 Ca -0.08 -1.21 -0.14 0.00 -1.00 0.00 0.00 55.97 53.55 3n1f s LYS 903 Cb -0.14 0.44 0.02 0.00 -2.06 0.00 0.00 37.83 36.09 3n1f s LYS 903 CO -0.02 -0.57 0.39 0.00 0.10 0.00 0.00 175.35 175.26 3n1f s MET 904 N -4.00 1.18 0.19 1.78 0.23 -1.26 -0.61 119.30 116.81 3n1f s MET 904 Ca 0.21 -0.93 0.04 0.00 -1.03 0.00 0.00 55.69 53.97 3n1f s MET 904 Cb 0.01 0.45 -0.05 0.00 -1.53 0.00 0.00 34.83 33.71 3n1f s MET 904 CO 0.06 -0.46 -0.05 -0.65 -2.03 0.00 0.00 175.02 171.88 3n1f s GLN 905 N -3.88 1.19 0.24 3.16 -0.21 -0.06 -0.82 119.66 119.28 3n1f s GLN 905 Ca 0.10 -1.56 0.08 0.00 0.02 0.00 0.00 55.36 54.00 3n1f s GLN 905 Cb 0.02 -0.59 -0.04 0.00 1.00 0.00 0.00 33.01 33.40 3n1f s GLN 905 CO -0.05 -0.02 0.11 0.00 -2.12 0.00 0.00 175.29 173.22 3n1f s PHE 907 N -2.14 0.08 0.00 0.00 -0.12 -0.33 -0.89 117.98 114.58 3n1f s PHE 907 Ca 0.32 -0.45 0.00 0.00 -0.05 0.00 0.00 56.93 56.75 3n1f s PHE 907 Cb -0.08 0.10 0.00 0.00 -0.63 0.00 0.00 43.02 42.41 3n1f s PHE 907 CO 0.23 -0.70 0.00 0.27 -0.05 0.00 0.00 175.22 174.97 3n1f n ASN 908 N -0.19 0.00 0.21 1.98 0.23 -0.48 -0.79 115.26 116.22 3n1f n ASN 908 Ca -0.12 -0.93 0.08 0.00 -0.53 0.00 0.00 54.58 53.07 3n1f n ASN 908 Cb 0.63 0.00 0.61 0.00 -2.08 0.00 0.00 39.78 38.94 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 0.08 -0.09 -3.83 5.08 -1.89 -2.20 114.58 111.72 3n1f h GLU 909 Ca 0.00 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 3n1f h GLU 909 Cb 0.00 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3n1f h GLU 909 CO 0.00 0.05 -0.32 0.78 -1.00 0.00 0.00 179.01 178.52 3n1f h GLY 910 N 0.08 0.19 0.00 -3.84 0.00 -1.87 -3.50 103.07 94.14 3n1f h GLY 910 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3n1f h GLY 910 CO -0.01 0.14 0.00 0.61 0.00 0.00 0.00 176.54 177.29 3n1f n GLY 911 N -0.45 0.08 3.35 4.60 0.00 -0.83 -4.74 105.19 107.20 3n1f n GLY 911 Ca -0.01 -1.44 -0.27 0.00 0.00 0.00 0.00 46.02 44.29 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 1.34 0.94 1.61 8.01 -1.26 -1.38 118.70 125.95 3n1f s GLU 912 Ca 0.00 -1.26 -0.14 0.00 0.01 0.00 0.00 54.97 53.58 3n1f s GLU 912 Cb 0.00 -1.73 0.16 0.00 -4.31 0.00 0.00 34.13 28.24 3n1f s GLU 912 CO 0.00 0.41 1.18 -1.54 0.01 0.00 0.00 175.26 175.32 3n1f s SER 913 N -1.92 3.32 0.99 -0.19 1.04 -0.07 -4.70 113.70 112.18 3n1f s SER 913 Ca 0.11 0.77 -0.12 0.00 0.48 0.00 0.00 55.95 57.19 3n1f s SER 913 Cb -0.10 -1.19 0.19 0.00 0.10 0.00 0.00 66.02 65.01 3n1f s SER 913 CO 0.05 -2.65 1.08 -1.83 0.98 0.00 0.00 173.24 170.87 3n1f s GLU 914 N -5.46 0.46 0.51 4.02 -1.05 -0.80 -4.75 118.70 111.63 3n1f s GLU 914 Ca 0.66 0.94 -0.19 0.00 -0.15 0.00 0.00 54.97 56.22 3n1f s GLU 914 Cb -0.12 -1.71 -0.07 0.00 -0.44 0.00 0.00 34.13 31.79 3n1f s GLU 914 CO 0.53 -2.82 1.06 -0.06 0.95 0.00 0.00 175.26 174.91 3n1f s PHE 915 N -2.74 2.94 1.25 4.83 0.40 -1.26 -4.16 117.98 119.25 3n1f s PHE 915 Ca 0.66 1.56 -0.18 0.00 -0.60 0.00 0.00 56.93 58.37 3n1f s PHE 915 Cb -0.21 -3.09 0.30 0.00 0.51 0.00 0.00 43.02 40.53 3n1f s PHE 915 CO 0.60 -0.99 1.02 -1.54 0.70 0.00 0.00 175.22 175.01 3n1f s SER 916 N -2.07 0.40 0.84 1.36 1.04 0.00 -4.77 113.70 110.51 3n1f s SER 916 Ca 0.68 1.00 -0.14 0.00 0.48 0.00 0.00 55.95 57.97 3n1f s SER 916 Cb -0.17 -1.49 0.01 0.00 0.10 0.00 0.00 66.02 64.46 3n1f s SER 916 CO 0.23 -4.48 0.54 -0.46 0.98 0.00 0.00 173.24 170.05 3n1f n ASN 917 N -5.05 -1.39 -4.31 7.02 6.94 -1.26 -4.70 115.26 112.51 3n1f n ASN 917 Ca 0.09 0.47 -0.36 0.00 -0.02 0.00 0.00 54.58 54.76 3n1f n ASN 917 Cb 0.58 -1.24 -0.14 0.00 -2.36 0.00 0.00 39.78 36.62 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 -2.16 3.49 0.17 3.53 1.01 -1.26 -4.54 120.40 120.64 3n1f s VAL 918 Ca 0.62 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 3n1f s VAL 918 Cb -0.28 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 3n1f s VAL 918 CO 0.62 0.30 0.38 -0.04 0.00 0.00 0.00 175.10 176.35 3n1f s MET 919 N 1.47 3.55 -0.11 2.72 -1.94 0.08 -4.90 119.30 120.17 3n1f s MET 919 Ca 0.04 -0.26 0.03 0.00 -1.71 0.00 0.00 55.69 53.79 3n1f s MET 919 Cb -0.15 -2.85 0.01 0.00 2.01 0.00 0.00 34.83 33.84 3n1f s MET 919 CO -0.02 0.43 -0.21 0.42 -0.01 0.00 0.00 175.02 175.64 3n1f s ILE 920 N -1.78 1.87 -0.17 2.53 1.01 -1.26 -0.74 121.20 122.67 3n1f s ILE 920 Ca 0.39 -0.89 -0.13 0.00 0.00 0.00 0.00 60.65 60.02 3n1f s ILE 920 Cb -0.11 -1.65 0.05 0.00 0.01 0.00 0.00 42.46 40.76 3n1f s ILE 920 CO 0.28 0.52 0.43 0.00 0.00 0.00 0.00 174.94 176.16 3n1f s GLU 922 N 0.66 3.19 0.92 0.00 2.02 -1.26 -0.17 118.70 124.06 3n1f s GLU 922 Ca -0.03 -0.29 -0.11 0.00 0.02 0.00 0.00 54.97 54.55 3n1f s GLU 922 Cb -0.05 -2.96 0.15 0.00 0.10 0.00 0.00 34.13 31.36 3n1f s GLU 922 CO -0.04 0.72 1.09 0.95 0.02 0.00 0.00 175.26 178.00 3n1f s THR 923 N -0.91 2.55 -2.00 3.63 -4.23 -0.61 -4.33 115.64 109.74 3n1f s THR 923 Ca 0.14 0.18 0.22 0.00 -1.18 0.00 0.00 61.69 61.04 3n1f s THR 923 Cb -0.12 -2.56 0.62 0.00 1.34 0.00 0.00 72.50 71.78 3n1f s THR 923 CO 0.03 -0.23 1.68 0.29 -0.54 0.00 0.00 174.62 175.84