#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n1q n PRO 830 N 0.00 -2.52 -3.72 1.61 -0.02 -1.26 -4.94 135.00 124.15 3n1q n PRO 830 Ca 0.00 -1.61 -0.23 0.00 -2.02 0.00 0.00 63.50 59.64 3n1q n PRO 830 Cb 0.00 -1.40 -0.18 0.00 -0.02 0.00 0.00 33.50 31.91 3n1q n PRO 830 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3n1q s HIS 831 N -2.94 0.48 -0.11 6.00 2.46 -0.55 -4.46 115.29 116.16 3n1q s HIS 831 Ca 0.64 -0.13 -0.30 0.00 0.47 0.00 0.00 55.06 55.74 3n1q s HIS 831 Cb -0.05 -0.72 -0.02 0.00 -0.13 0.00 0.00 32.58 31.65 3n1q s HIS 831 CO 0.48 -0.34 1.25 0.42 -2.47 0.00 0.00 174.74 174.08 3n1q s ILE 832 N 2.04 4.24 -0.02 0.89 1.01 -1.26 -0.30 121.20 127.79 3n1q s ILE 832 Ca 0.04 1.53 -0.21 0.00 0.00 0.00 0.00 60.65 62.01 3n1q s ILE 832 Cb -0.13 -3.99 -0.26 0.00 0.01 0.00 0.00 42.46 38.09 3n1q s ILE 832 CO -0.05 -0.07 1.03 0.00 0.00 0.00 0.00 174.94 175.84 3n1q h ALA 833 N 7.88 0.02 -2.43 9.38 0.00 -0.33 -3.48 119.26 130.29 3n1q h ALA 833 Ca -0.30 -0.59 0.09 0.00 0.00 0.00 0.00 54.91 54.10 3n1q h ALA 833 Cb 1.13 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.83 3n1q h ALA 833 CO 0.93 0.32 0.44 1.52 0.00 0.00 0.00 179.25 182.46 3n1q s TYR 834 N -2.95 -0.37 -0.07 0.00 1.13 -1.15 -5.03 117.35 108.90 3n1q s TYR 834 Ca -0.14 0.21 -0.01 0.00 -1.41 0.00 0.00 57.07 55.73 3n1q s TYR 834 Cb 0.02 0.55 0.03 0.00 -1.10 0.00 0.00 41.96 41.46 3n1q s TYR 834 CO 0.81 -0.62 -0.03 0.95 -2.51 0.00 0.00 175.55 174.15 3n1q s THR 835 N -3.26 0.57 -0.00 -3.49 -4.23 -1.26 -1.92 115.64 102.04 3n1q s THR 835 Ca 0.05 -0.03 0.03 0.00 -1.18 0.00 0.00 61.69 60.55 3n1q s THR 835 Cb -0.01 -0.66 -0.01 0.00 1.34 0.00 0.00 72.50 73.16 3n1q s THR 835 CO -0.09 0.28 -0.10 -1.61 -0.54 0.00 0.00 174.62 172.55 3n1q s GLU 836 N 1.64 0.81 0.23 3.99 2.02 -0.08 -4.92 118.70 122.38 3n1q s GLU 836 Ca 0.01 -0.40 -0.30 0.00 0.02 0.00 0.00 54.97 54.30 3n1q s GLU 836 Cb -0.13 -0.78 -0.09 0.00 0.10 0.00 0.00 34.13 33.24 3n1q s GLU 836 CO -0.04 0.21 1.04 0.00 0.02 0.00 0.00 175.26 176.48 3n1q s ALA 837 N -0.32 3.36 -0.19 5.21 0.00 -1.26 -0.63 121.76 127.93 3n1q s ALA 837 Ca 0.03 0.76 0.13 0.00 0.00 0.00 0.00 51.96 52.88 3n1q s ALA 837 Cb -0.04 -3.29 -0.19 0.00 0.00 0.00 0.00 23.12 19.60 3n1q s ALA 837 CO -0.00 -0.04 0.37 1.33 0.00 0.00 0.00 175.76 177.41 3n1q n VAL 838 N 1.72 0.00 -2.68 0.00 0.24 -0.91 -4.90 118.33 111.80 3n1q n VAL 838 Ca -0.00 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 3n1q n VAL 838 Cb 0.46 0.43 0.00 0.00 -1.47 0.00 0.00 33.84 33.27 3n1q n VAL 838 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3n1q n SER 839 N -1.77 0.00 -0.13 -1.34 3.41 -1.18 -4.96 113.62 107.65 3n1q n SER 839 Ca -0.01 -0.63 0.14 0.00 -0.26 0.00 0.00 58.87 58.11 3n1q n SER 839 Cb 0.30 0.00 0.61 0.00 -0.26 0.00 0.00 64.21 64.86 3n1q n SER 839 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3n1q n ASP 840 N -0.70 0.52 0.00 4.04 5.75 -1.26 -1.08 116.55 123.82 3n1q n ASP 840 Ca 0.00 -0.65 0.00 0.00 -0.01 0.00 0.00 54.79 54.13 3n1q n ASP 840 Cb 0.00 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 3n1q n ASP 840 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3n1q n THR 841 N -0.89 0.11 -4.04 2.12 -2.24 -1.26 -2.58 114.28 105.49 3n1q n THR 841 Ca 0.15 -0.13 -0.14 0.00 -2.27 0.00 0.00 64.05 61.66 3n1q n THR 841 Cb 0.28 1.17 -0.14 0.00 -2.10 0.00 0.00 70.33 69.54 3n1q n THR 841 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3n1q s GLN 842 N -0.11 0.31 -0.03 -0.78 -0.21 -1.25 -1.04 119.66 116.55 3n1q s GLN 842 Ca 0.00 -0.26 0.02 0.00 0.02 0.00 0.00 55.36 55.14 3n1q s GLN 842 Cb 0.00 -0.23 0.01 0.00 1.00 0.00 0.00 33.01 33.79 3n1q s GLN 842 CO 0.00 0.06 -0.07 0.42 -2.12 0.00 0.00 175.29 173.58 3n1q s ILE 843 N -0.40 0.62 -0.16 1.08 1.01 -0.33 -2.14 121.20 120.87 3n1q s ILE 843 Ca -0.02 -0.25 -0.06 0.00 0.00 0.00 0.00 60.65 60.32 3n1q s ILE 843 Cb -0.03 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.82 3n1q s ILE 843 CO -0.00 0.21 0.05 -0.32 0.00 0.00 0.00 174.94 174.88 3n1q s MET 844 N 0.39 3.77 -0.08 2.79 -2.45 0.20 -0.58 119.30 123.34 3n1q s MET 844 Ca -0.05 -0.36 0.02 0.00 -1.25 0.00 0.00 55.69 54.04 3n1q s MET 844 Cb -0.10 -3.11 0.02 0.00 1.25 0.00 0.00 34.83 32.89 3n1q s MET 844 CO 0.00 0.37 -0.12 -0.48 1.05 0.00 0.00 175.02 175.84 3n1q s LEU 845 N 0.09 1.58 -0.17 4.11 2.34 -0.80 -0.90 118.68 124.94 3n1q s LEU 845 Ca 0.04 -0.33 -0.03 0.00 0.06 0.00 0.00 54.13 53.87 3n1q s LEU 845 Cb -0.12 -0.90 -0.02 0.00 -0.56 0.00 0.00 46.19 44.59 3n1q s LEU 845 CO 0.01 0.00 -0.05 -0.75 -1.06 0.00 0.00 176.35 174.50 3n1q s LYS 846 N 0.93 3.57 0.33 1.48 2.36 -0.81 -1.52 119.74 126.09 3n1q s LYS 846 Ca -0.09 -0.56 0.04 0.00 -2.55 0.00 0.00 55.97 52.81 3n1q s LYS 846 Cb -0.15 -2.90 -0.07 0.00 -1.05 0.00 0.00 37.83 33.67 3n1q s LYS 846 CO 0.00 0.15 0.05 1.67 1.55 0.00 0.00 175.35 178.77 3n1q s TRP 847 N 0.60 2.02 0.12 4.03 -2.14 -0.82 0.45 118.94 123.19 3n1q s TRP 847 Ca -0.03 -0.92 0.04 0.00 2.66 0.00 0.00 56.10 57.85 3n1q s TRP 847 Cb -0.15 -1.33 -0.04 0.00 -3.10 0.00 0.00 33.47 28.86 3n1q s TRP 847 CO 0.03 0.06 -0.10 0.95 -2.66 0.00 0.00 176.95 175.22 3n1q s THR 848 N -3.23 1.07 0.00 0.66 -4.23 0.59 -4.78 115.64 105.72 3n1q s THR 848 Ca 0.36 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 3n1q s THR 848 Cb 0.09 -1.64 0.00 0.00 1.34 0.00 0.00 72.50 72.29 3n1q s THR 848 CO 0.16 -0.66 0.00 0.00 -0.54 0.00 0.00 174.62 173.58 3n1q n TYR 849 N 0.15 0.00 0.00 3.99 9.36 -1.26 -1.49 117.16 127.91 3n1q n TYR 849 Ca -0.13 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.09 3n1q n TYR 849 Cb 0.59 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.30 3n1q n TYR 849 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 3n1q n ILE 859 N 0.00 0.00 0.01 2.97 -0.00 -1.26 -5.11 119.36 115.97 3n1q n ILE 859 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 62.75 62.65 3n1q n ILE 859 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 39.64 39.50 3n1q n ILE 859 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 3n1q h GLN 860 N 0.00 0.06 0.00 0.38 4.20 -1.39 -3.44 115.11 114.92 3n1q h GLN 860 Ca 0.00 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.62 3n1q h GLN 860 Cb 0.00 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3n1q h GLN 860 CO 0.00 0.74 0.00 0.41 -0.67 0.00 0.00 178.83 179.31 3n1q n GLY 861 N 1.56 -0.56 3.07 3.46 0.00 -1.06 -3.22 105.19 108.44 3n1q n GLY 861 Ca -0.14 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 3n1q n GLY 861 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3n1q s PHE 862 N -3.39 0.70 -0.29 1.61 0.40 -0.68 -1.18 117.98 115.15 3n1q s PHE 862 Ca 0.00 -0.52 -0.05 0.00 -0.60 0.00 0.00 56.93 55.76 3n1q s PHE 862 Cb 0.00 -0.42 0.02 0.00 0.51 0.00 0.00 43.02 43.13 3n1q s PHE 862 CO 0.00 -0.08 0.05 0.71 0.70 0.00 0.00 175.22 176.59 3n1q s TYR 863 N -1.49 3.16 -0.32 0.36 4.12 0.84 -2.29 117.35 121.74 3n1q s TYR 863 Ca -0.09 -1.30 -0.12 0.00 0.02 0.00 0.00 57.07 55.59 3n1q s TYR 863 Cb -0.09 -2.20 -0.03 0.00 -1.52 0.00 0.00 41.96 38.12 3n1q s TYR 863 CO 0.00 -0.67 0.22 0.42 0.02 0.00 0.00 175.55 175.55 3n1q s ILE 864 N 1.41 5.28 -0.14 2.71 1.09 -0.51 -1.82 121.20 129.21 3n1q s ILE 864 Ca 0.00 -0.10 -0.06 0.00 -1.10 0.00 0.00 60.65 59.39 3n1q s ILE 864 Cb -0.18 -3.65 -0.04 0.00 -1.06 0.00 0.00 42.46 37.53 3n1q s ILE 864 CO 0.01 0.07 0.06 -0.31 -0.10 0.00 0.00 174.94 174.67 3n1q s TYR 865 N 1.73 3.30 -0.01 3.97 2.02 0.13 -0.99 117.35 127.50 3n1q s TYR 865 Ca 0.06 0.19 0.00 0.00 -0.37 0.00 0.00 57.07 56.96 3n1q s TYR 865 Cb -0.17 -1.97 0.01 0.00 -0.40 0.00 0.00 41.96 39.43 3n1q s TYR 865 CO 0.11 0.35 -0.00 1.52 -1.57 0.00 0.00 175.55 175.96 3n1q s TYR 866 N -0.24 0.15 -0.05 2.71 -0.85 -0.33 -1.66 117.35 117.09 3n1q s TYR 866 Ca 0.08 0.01 -0.05 0.00 -0.52 0.00 0.00 57.07 56.59 3n1q s TYR 866 Cb -0.12 -0.19 0.01 0.00 0.38 0.00 0.00 41.96 42.04 3n1q s TYR 866 CO 0.01 -0.05 0.14 0.50 -1.52 0.00 0.00 175.55 174.63 3n1q s ARG 867 N 0.42 0.19 0.10 -3.49 3.52 -0.75 -1.09 118.95 117.84 3n1q s ARG 867 Ca -0.04 0.14 -0.34 0.00 -0.13 0.00 0.00 55.73 55.37 3n1q s ARG 867 Cb -0.06 0.09 -0.13 0.00 -1.56 0.00 0.00 34.95 33.29 3n1q s ARG 867 CO -0.01 -0.03 1.69 -2.30 -0.81 0.00 0.00 175.30 173.85 3n1q n PRO 868 N 2.88 2.26 0.22 5.12 -0.02 -1.26 0.42 135.00 144.63 3n1q n PRO 868 Ca -0.13 0.82 0.13 0.00 -2.02 0.00 0.00 63.50 62.30 3n1q n PRO 868 Cb 0.59 -2.63 0.71 0.00 -0.02 0.00 0.00 33.50 32.15 3n1q n PRO 868 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3n1q h THR 869 N 4.21 0.00 0.00 3.45 2.02 -1.79 0.28 112.91 121.07 3n1q h THR 869 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.72 3n1q h THR 869 Cb 1.25 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 3n1q h THR 869 CO 0.91 0.00 0.00 0.47 0.37 0.00 0.00 175.52 177.27 3n1q n ASP 870 N -2.47 0.00 -4.59 4.18 9.92 -1.26 -4.70 116.55 117.64 3n1q n ASP 870 Ca -0.02 0.29 -0.34 0.00 -0.53 0.00 0.00 54.79 54.19 3n1q n ASP 870 Cb 0.14 -0.40 -0.11 0.00 -0.64 0.00 0.00 41.12 40.11 3n1q n ASP 870 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 3n1q s SER 871 N -2.80 4.99 -0.20 -2.24 0.15 0.08 -4.98 113.70 108.71 3n1q s SER 871 Ca 0.12 -0.00 0.16 0.00 0.70 0.00 0.00 55.95 56.93 3n1q s SER 871 Cb 0.11 -1.59 0.60 0.00 -1.71 0.00 0.00 66.02 63.43 3n1q s SER 871 CO 0.29 0.27 1.50 0.47 1.20 0.00 0.00 173.24 176.97 3n1q n ASP 872 N 2.84 4.25 -4.41 5.45 10.43 -1.26 -4.93 116.55 128.91 3n1q n ASP 872 Ca -0.18 -3.03 -0.37 0.00 2.57 0.00 0.00 54.79 53.77 3n1q n ASP 872 Cb 0.53 -0.58 -0.12 0.00 1.84 0.00 0.00 41.12 42.78 3n1q n ASP 872 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 3n1q s ASN 873 N -1.71 5.28 0.27 -2.24 3.04 -1.26 -4.97 114.94 113.35 3n1q s ASN 873 Ca 0.45 -0.47 0.20 0.00 0.04 0.00 0.00 52.86 53.07 3n1q s ASN 873 Cb 0.36 -1.94 1.00 0.00 -1.54 0.00 0.00 41.25 39.13 3n1q s ASN 873 CO 0.10 -0.14 1.60 0.47 -3.04 0.00 0.00 177.10 176.09 3n1q n ASP 874 N 4.93 0.51 -0.03 -4.21 9.92 -1.26 -1.55 116.55 124.86 3n1q n ASP 874 Ca -0.15 0.71 0.15 0.00 -0.53 0.00 0.00 54.79 54.97 3n1q n ASP 874 Cb 0.50 -0.79 0.81 0.00 -0.64 0.00 0.00 41.12 41.00 3n1q n ASP 874 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3n1q n SER 875 N -2.16 0.09 -1.23 -2.24 7.64 -1.26 -3.40 113.62 111.06 3n1q n SER 875 Ca -0.00 -0.54 0.11 0.00 1.01 0.00 0.00 58.87 59.44 3n1q n SER 875 Cb 0.07 -0.15 0.29 0.00 -1.01 0.00 0.00 64.21 63.42 3n1q n SER 875 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3n1q n ASP 876 N -1.11 3.57 -4.73 6.43 8.00 -0.60 -4.92 116.55 123.20 3n1q n ASP 876 Ca 0.18 -2.00 -0.41 0.00 0.71 0.00 0.00 54.79 53.27 3n1q n ASP 876 Cb 0.20 -0.44 -0.04 0.00 -0.02 0.00 0.00 41.12 40.82 3n1q n ASP 876 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3n1q s TYR 877 N -1.13 3.70 -0.02 1.24 1.51 -1.22 -4.53 117.35 116.90 3n1q s TYR 877 Ca 0.45 1.68 -0.00 0.00 -1.01 0.00 0.00 57.07 58.19 3n1q s TYR 877 Cb 0.23 -3.17 -0.04 0.00 -0.11 0.00 0.00 41.96 38.88 3n1q s TYR 877 CO 0.31 -0.21 0.05 0.15 -1.11 0.00 0.00 175.55 174.73 3n1q s LYS 878 N -0.02 2.99 -0.07 -0.62 1.02 -0.25 -4.85 119.74 117.93 3n1q s LYS 878 Ca 0.49 -0.50 0.01 0.00 0.02 0.00 0.00 55.97 55.99 3n1q s LYS 878 Cb -0.26 -2.81 -0.03 0.00 -0.52 0.00 0.00 37.83 34.21 3n1q s LYS 878 CO 0.32 0.65 -0.08 0.50 -0.92 0.00 0.00 175.35 175.82 3n1q s ARG 879 N -1.57 2.73 -0.06 1.68 3.52 -1.26 -1.18 118.95 122.81 3n1q s ARG 879 Ca 0.21 -0.56 0.05 0.00 -0.13 0.00 0.00 55.73 55.29 3n1q s ARG 879 Cb -0.12 -2.57 -0.01 0.00 -1.56 0.00 0.00 34.95 30.70 3n1q s ARG 879 CO 0.11 0.65 -0.22 -0.51 -0.81 0.00 0.00 175.30 174.52 3n1q s ASP 880 N -0.78 2.80 -0.21 -2.12 1.01 -0.16 -4.95 116.67 112.25 3n1q s ASP 880 Ca 0.12 -0.48 -0.10 0.00 0.71 0.00 0.00 52.55 52.81 3n1q s ASP 880 Cb -0.11 -0.90 -0.05 0.00 1.01 0.00 0.00 42.92 42.87 3n1q s ASP 880 CO 0.01 0.20 0.13 -0.69 0.21 0.00 0.00 175.17 175.03 3n1q s VAL 881 N 0.03 5.27 0.14 -1.27 1.01 -1.26 -1.43 120.40 122.88 3n1q s VAL 881 Ca -0.07 0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.12 3n1q s VAL 881 Cb -0.14 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 3n1q s VAL 881 CO 0.04 0.41 -0.16 0.68 0.00 0.00 0.00 175.10 176.07 3n1q s VAL 882 N 0.64 1.55 0.63 2.92 -7.23 -0.97 -4.99 120.40 112.94 3n1q s VAL 882 Ca 0.07 -1.78 -0.16 0.00 -1.81 0.00 0.00 61.98 58.30 3n1q s VAL 882 Cb -0.12 -1.65 -0.01 0.00 0.56 0.00 0.00 36.38 35.15 3n1q s VAL 882 CO 0.01 -0.35 1.11 -1.83 -0.31 0.00 0.00 175.10 173.73 3n1q s GLU 883 N -2.65 2.94 0.46 4.82 4.04 -1.26 -1.69 118.70 125.36 3n1q s GLU 883 Ca 0.11 1.41 0.18 0.00 0.04 0.00 0.00 54.97 56.71 3n1q s GLU 883 Cb -0.06 -1.97 1.09 0.00 0.02 0.00 0.00 34.13 33.22 3n1q s GLU 883 CO 0.04 -1.14 1.99 0.78 -1.84 0.00 0.00 175.26 175.09 3n1q h GLY 884 N 0.26 0.00 -0.17 -3.83 0.00 -1.83 -2.85 103.07 94.65 3n1q h GLY 884 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3n1q h GLY 884 CO 0.55 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.95 3n1q n SER 885 N -4.06 1.18 -4.82 0.19 3.41 -1.26 -4.88 113.62 103.38 3n1q n SER 885 Ca -0.02 -1.41 -0.35 0.00 -0.26 0.00 0.00 58.87 56.83 3n1q n SER 885 Cb 0.27 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.16 3n1q n SER 885 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3n1q s LYS 886 N -1.99 4.23 0.00 4.33 2.20 -1.08 -4.98 119.74 122.45 3n1q s LYS 886 Ca 0.40 0.89 0.00 0.00 -0.36 0.00 0.00 55.97 56.90 3n1q s LYS 886 Cb 0.21 -2.73 0.00 0.00 -1.51 0.00 0.00 37.83 33.80 3n1q s LYS 886 CO 0.34 0.30 0.36 1.04 -0.36 0.00 0.00 175.35 177.03 3n1q n GLN 887 N 0.37 0.06 -3.76 4.03 6.02 -1.26 -5.01 117.38 117.83 3n1q n GLN 887 Ca 0.00 -0.36 -0.13 0.00 -0.01 0.00 0.00 57.00 56.50 3n1q n GLN 887 Cb 0.52 -0.85 -0.10 0.00 1.02 0.00 0.00 30.24 30.83 3n1q n GLN 887 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 177.06 177.72 3n1q s TRP 888 N -0.11 -0.29 0.08 1.08 1.48 -1.26 -1.94 118.94 117.97 3n1q s TRP 888 Ca 0.00 0.64 0.06 0.00 -1.06 0.00 0.00 56.10 55.74 3n1q s TRP 888 Cb 0.00 0.11 -0.03 0.00 -1.16 0.00 0.00 33.47 32.39 3n1q s TRP 888 CO 0.00 -0.26 -0.16 -1.58 -4.06 0.00 0.00 176.95 170.89 3n1q s HIS 889 N -0.44 1.34 -0.29 1.66 2.46 -0.58 -5.00 115.29 114.45 3n1q s HIS 889 Ca -0.06 -0.44 -0.06 0.00 0.47 0.00 0.00 55.06 54.97 3n1q s HIS 889 Cb -0.04 -0.75 0.01 0.00 -0.13 0.00 0.00 32.58 31.67 3n1q s HIS 889 CO 0.02 0.09 0.06 1.41 -2.47 0.00 0.00 174.74 173.84 3n1q s MET 890 N -1.73 3.08 -0.25 2.88 1.75 -1.26 -1.90 119.30 121.87 3n1q s MET 890 Ca 0.00 -0.86 -0.21 0.00 -1.25 0.00 0.00 55.69 53.38 3n1q s MET 890 Cb -0.10 -3.31 -0.02 0.00 2.84 0.00 0.00 34.83 34.25 3n1q s MET 890 CO 0.03 -0.42 0.65 0.42 -0.65 0.00 0.00 175.02 175.04 3n1q s ILE 891 N 1.48 4.98 0.49 10.11 1.01 0.25 -4.95 121.20 134.56 3n1q s ILE 891 Ca 0.02 1.18 0.06 0.00 0.00 0.00 0.00 60.65 61.91 3n1q s ILE 891 Cb -0.17 -3.95 -0.00 0.00 0.01 0.00 0.00 42.46 38.35 3n1q s ILE 891 CO 0.01 0.03 0.28 -0.83 0.00 0.00 0.00 174.94 174.43 3n1q s GLY 892 N 1.42 2.43 -1.11 6.18 0.00 -1.26 -1.19 107.32 113.80 3n1q s GLY 892 Ca 0.27 -1.47 -0.05 0.00 0.00 0.00 0.00 44.72 43.47 3n1q s GLY 892 CO 0.09 -1.94 0.92 1.42 0.00 0.00 0.00 173.10 173.59 3n1q n HIS 893 N -1.51 -2.34 -4.29 1.90 8.25 -0.97 -4.94 115.22 111.33 3n1q n HIS 893 Ca -0.03 0.86 -0.26 0.00 -0.26 0.00 0.00 57.72 58.02 3n1q n HIS 893 Cb 0.64 -4.36 -0.09 0.00 1.12 0.00 0.00 29.99 27.31 3n1q n HIS 893 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3n1q s LEU 894 N -5.77 3.00 0.29 2.41 1.43 -0.20 -5.04 118.68 114.80 3n1q s LEU 894 Ca 0.32 -0.58 -0.29 0.00 -1.03 0.00 0.00 54.13 52.55 3n1q s LEU 894 Cb -0.05 -1.67 -0.10 0.00 0.03 0.00 0.00 46.19 44.40 3n1q s LEU 894 CO 0.75 0.10 1.17 -1.10 0.23 0.00 0.00 176.35 177.49 3n1q s GLN 895 N -2.90 4.55 0.36 1.70 1.11 -1.26 -4.22 119.66 119.00 3n1q s GLN 895 Ca 0.25 1.93 -0.28 0.00 0.01 0.00 0.00 55.36 57.28 3n1q s GLN 895 Cb -0.09 -3.16 -0.10 0.00 -1.01 0.00 0.00 33.01 28.66 3n1q s GLN 895 CO 0.16 0.08 1.29 -2.14 0.01 0.00 0.00 175.29 174.68 3n1q s PRO 896 N -1.44 4.21 -1.54 2.91 0.02 -1.07 -3.29 135.00 134.81 3n1q s PRO 896 Ca 0.46 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.63 3n1q s PRO 896 Cb -0.34 -2.94 0.00 0.00 0.02 0.00 0.00 34.50 31.24 3n1q s PRO 896 CO 0.44 -0.28 0.00 -1.91 -0.33 0.00 0.00 177.00 174.92 3n1q n GLU 897 N 0.53 -1.31 -4.27 5.54 2.13 -0.67 -4.97 120.64 117.61 3n1q n GLU 897 Ca 0.02 0.89 -0.30 0.00 0.66 0.00 0.00 57.16 58.43 3n1q n GLU 897 Cb 0.43 -5.28 -0.10 0.00 0.27 0.00 0.00 31.44 26.76 3n1q n GLU 897 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3n1q s THR 898 N -2.79 3.36 0.27 6.31 2.01 -1.21 -4.87 115.64 118.72 3n1q s THR 898 Ca 0.00 -1.22 -0.04 0.00 0.31 0.00 0.00 61.69 60.74 3n1q s THR 898 Cb 0.00 -2.55 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 3n1q s THR 898 CO 0.00 0.15 0.51 -0.55 -0.69 0.00 0.00 174.62 174.04 3n1q s SER 899 N -2.09 6.43 -0.07 3.53 0.15 -1.26 -0.72 113.70 119.66 3n1q s SER 899 Ca 0.21 0.63 -0.07 0.00 0.70 0.00 0.00 55.95 57.42 3n1q s SER 899 Cb -0.11 -2.11 0.02 0.00 -1.71 0.00 0.00 66.02 62.11 3n1q s SER 899 CO 0.13 -0.16 0.20 -0.31 1.20 0.00 0.00 173.24 174.30 3n1q s TYR 900 N -2.04 -0.22 -0.23 3.44 1.51 0.67 -2.47 117.35 118.01 3n1q s TYR 900 Ca 0.43 0.54 -0.19 0.00 -1.01 0.00 0.00 57.07 56.83 3n1q s TYR 900 Cb -0.11 0.07 -0.03 0.00 -0.11 0.00 0.00 41.96 41.79 3n1q s TYR 900 CO 0.30 -0.11 0.57 -0.51 -1.11 0.00 0.00 175.55 174.69 3n1q s ASP 901 N 0.11 6.56 -0.25 2.29 1.01 0.17 -1.36 116.67 125.20 3n1q s ASP 901 Ca -0.00 0.68 0.03 0.00 0.71 0.00 0.00 52.55 53.97 3n1q s ASP 901 Cb -0.01 -2.31 0.06 0.00 1.01 0.00 0.00 42.92 41.66 3n1q s ASP 901 CO 0.00 -0.28 -0.10 -0.63 0.21 0.00 0.00 175.17 174.37 3n1q s ILE 902 N 2.08 2.05 0.09 0.77 1.01 0.12 -1.81 121.20 125.51 3n1q s ILE 902 Ca 0.25 -1.53 0.04 0.00 0.00 0.00 0.00 60.65 59.41 3n1q s ILE 902 Cb -0.16 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.11 3n1q s ILE 902 CO 0.09 -0.02 -0.12 -1.59 0.00 0.00 0.00 174.94 173.31 3n1q s LYS 903 N 1.16 0.86 0.25 2.79 -2.85 -0.66 -1.08 119.74 120.21 3n1q s LYS 903 Ca -0.08 -1.10 0.05 0.00 -1.00 0.00 0.00 55.97 53.84 3n1q s LYS 903 Cb -0.19 -0.68 -0.02 0.00 -2.06 0.00 0.00 37.83 34.88 3n1q s LYS 903 CO -0.06 0.13 0.18 0.00 0.10 0.00 0.00 175.35 175.70 3n1q n MET 904 N 0.80 0.39 -3.64 1.78 0.00 -1.26 0.22 117.12 115.39 3n1q n MET 904 Ca -0.18 -2.41 -0.05 0.00 0.00 0.00 0.00 57.70 55.07 3n1q n MET 904 Cb 0.56 1.81 -0.07 0.00 0.00 0.00 0.00 33.22 35.52 3n1q n MET 904 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 175.97 177.11 3n1q s GLN 905 N -3.01 0.30 0.34 3.17 -2.07 -0.76 -0.63 119.66 117.00 3n1q s GLN 905 Ca 0.25 0.39 -0.20 0.00 -1.82 0.00 0.00 55.36 53.98 3n1q s GLN 905 Cb 0.01 0.12 -0.10 0.00 -1.09 0.00 0.00 33.01 31.96 3n1q s GLN 905 CO 0.18 -0.04 0.84 0.00 -1.32 0.00 0.00 175.29 174.95 3n1q s PHE 907 N -1.90 0.85 0.17 0.00 -0.12 -0.32 -1.91 117.98 114.75 3n1q s PHE 907 Ca 0.54 -0.89 0.02 0.00 -0.05 0.00 0.00 56.93 56.55 3n1q s PHE 907 Cb -0.13 -0.50 -0.01 0.00 -0.63 0.00 0.00 43.02 41.76 3n1q s PHE 907 CO 0.18 -0.16 0.18 0.27 -0.05 0.00 0.00 175.22 175.64 3n1q n ASN 908 N 0.08 -0.49 0.28 1.98 0.23 -0.92 -0.92 115.26 115.51 3n1q n ASN 908 Ca -0.13 -2.03 0.15 0.00 -0.53 0.00 0.00 54.58 52.04 3n1q n ASN 908 Cb 0.60 1.01 0.89 0.00 -2.08 0.00 0.00 39.78 40.21 3n1q n ASN 908 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3n1q h GLU 909 N 0.00 0.00 -0.10 -3.83 9.09 -2.00 -2.49 114.58 115.24 3n1q h GLU 909 Ca -0.12 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.23 3n1q h GLU 909 Cb 0.60 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.70 3n1q h GLU 909 CO 0.18 0.00 -0.17 0.78 0.05 0.00 0.00 179.01 179.84 3n1q h GLY 910 N 0.00 0.33 0.00 1.06 0.00 -2.04 -3.50 103.07 98.93 3n1q h GLY 910 Ca 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3n1q h GLY 910 CO -0.00 0.34 0.00 0.61 0.00 0.00 0.00 176.54 177.49 3n1q n GLY 911 N 0.37 -2.11 3.84 4.60 0.00 -0.94 -5.14 105.19 105.80 3n1q n GLY 911 Ca -0.07 -1.22 -0.37 0.00 0.00 0.00 0.00 46.02 44.36 3n1q n GLY 911 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3n1q s GLU 912 N -1.84 3.79 0.47 1.61 8.01 -1.26 -2.16 118.70 127.32 3n1q s GLU 912 Ca 0.00 0.16 -0.08 0.00 0.01 0.00 0.00 54.97 55.06 3n1q s GLU 912 Cb 0.00 -3.24 0.12 0.00 -4.31 0.00 0.00 34.13 26.70 3n1q s GLU 912 CO 0.00 0.66 0.46 -1.13 0.01 0.00 0.00 175.26 175.26 3n1q n SER 913 N 2.13 -1.09 -4.80 -0.19 3.41 -0.80 -5.02 113.62 107.27 3n1q n SER 913 Ca -0.16 -0.87 -0.36 0.00 -0.26 0.00 0.00 58.87 57.22 3n1q n SER 913 Cb 0.53 -0.41 -0.06 0.00 -0.26 0.00 0.00 64.21 64.01 3n1q n SER 913 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3n1q s GLU 914 N -4.04 4.44 0.52 4.33 -1.05 -1.26 -4.88 118.70 116.76 3n1q s GLU 914 Ca 0.29 1.19 -0.21 0.00 -0.15 0.00 0.00 54.97 56.09 3n1q s GLU 914 Cb -0.02 -2.67 -0.07 0.00 -0.44 0.00 0.00 34.13 30.92 3n1q s GLU 914 CO 0.22 0.23 1.06 1.19 0.95 0.00 0.00 175.26 178.90 3n1q n PHE 915 N 0.31 1.23 -2.07 4.83 3.01 -1.26 -4.03 117.46 119.48 3n1q n PHE 915 Ca 0.02 0.47 -0.28 0.00 1.01 0.00 0.00 57.45 58.68 3n1q n PHE 915 Cb 0.51 -2.22 0.11 0.00 -0.01 0.00 0.00 39.48 37.88 3n1q n PHE 915 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3n1q s SER 916 N -0.98 4.16 0.34 4.37 1.04 0.19 -4.88 113.70 117.94 3n1q s SER 916 Ca 0.70 0.41 -0.27 0.00 0.48 0.00 0.00 55.95 57.28 3n1q s SER 916 Cb -0.46 -0.81 -0.13 0.00 0.10 0.00 0.00 66.02 64.72 3n1q s SER 916 CO 0.51 -2.06 1.06 -0.46 0.98 0.00 0.00 173.24 173.27 3n1q n ASN 917 N -3.29 1.56 -4.64 7.02 6.94 -1.26 -4.55 115.26 117.03 3n1q n ASN 917 Ca 0.11 1.14 -0.39 0.00 -0.02 0.00 0.00 54.58 55.41 3n1q n ASN 917 Cb 0.60 -1.35 -0.07 0.00 -2.36 0.00 0.00 39.78 36.61 3n1q n ASN 917 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3n1q s VAL 918 N -1.14 5.09 0.12 3.53 1.01 -1.26 -4.64 120.40 123.10 3n1q s VAL 918 Ca 0.59 0.93 0.02 0.00 0.00 0.00 0.00 61.98 63.52 3n1q s VAL 918 Cb -0.63 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 3n1q s VAL 918 CO 0.59 0.14 0.24 -0.04 0.00 0.00 0.00 175.10 176.03 3n1q s MET 919 N 1.91 3.36 -0.20 2.72 -1.94 -0.24 -4.89 119.30 120.02 3n1q s MET 919 Ca 0.23 -0.58 0.00 0.00 -1.71 0.00 0.00 55.69 53.63 3n1q s MET 919 Cb -0.15 -2.95 0.02 0.00 2.01 0.00 0.00 34.83 33.76 3n1q s MET 919 CO 0.09 0.55 -0.15 0.42 -0.01 0.00 0.00 175.02 175.92 3n1q s ILE 920 N -1.65 2.36 0.03 2.53 1.01 -1.26 0.13 121.20 124.36 3n1q s ILE 920 Ca 0.34 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 60.08 3n1q s ILE 920 Cb -0.12 -2.07 -0.02 0.00 0.01 0.00 0.00 42.46 40.26 3n1q s ILE 920 CO 0.28 0.43 -0.13 0.00 0.00 0.00 0.00 174.94 175.51 3n1q s GLU 922 N -1.07 3.23 0.80 0.00 2.12 -1.26 -0.24 118.70 122.29 3n1q s GLU 922 Ca 0.01 -0.73 -0.12 0.00 0.36 0.00 0.00 54.97 54.49 3n1q s GLU 922 Cb -0.08 -2.69 0.08 0.00 0.26 0.00 0.00 34.13 31.71 3n1q s GLU 922 CO 0.01 -0.03 1.14 0.95 -0.54 0.00 0.00 175.26 176.79 3n1q s THR 923 N 0.94 2.63 -2.00 -1.70 -4.23 0.10 -4.63 115.64 106.75 3n1q s THR 923 Ca -0.03 0.24 0.16 0.00 -1.18 0.00 0.00 61.69 60.88 3n1q s THR 923 Cb -0.15 -2.57 0.45 0.00 1.34 0.00 0.00 72.50 71.57 3n1q s THR 923 CO -0.02 -0.24 1.35 0.29 -0.54 0.00 0.00 174.62 175.47