#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n1e h GLN 836 N 0.00 0.51 -0.04 0.11 3.07 -2.05 -1.08 115.11 115.63 3n1e h GLN 836 Ca 0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.70 3n1e h GLN 836 Cb 0.00 -0.12 -0.00 0.00 0.08 0.00 0.00 27.48 27.44 3n1e h GLN 836 CO 0.00 0.34 -0.02 -1.49 0.09 0.00 0.00 178.83 177.75 3n1e h TRP 837 N 0.53 0.09 -0.58 0.06 4.06 -2.05 -2.30 115.95 115.75 3n1e h TRP 837 Ca 0.41 -0.02 -0.08 0.00 2.06 0.00 0.00 58.89 61.27 3n1e h TRP 837 Cb 0.84 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.95 3n1e h TRP 837 CO -0.00 0.45 0.07 0.66 -3.56 0.00 0.00 178.44 176.06 3n1e h SER 838 N -0.30 0.95 -0.36 -3.49 4.64 -1.90 -1.25 113.55 111.85 3n1e h SER 838 Ca 0.01 -0.28 0.06 0.00 -0.47 0.00 0.00 61.79 61.11 3n1e h SER 838 Cb 0.43 -0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 62.21 3n1e h SER 838 CO 0.01 0.99 0.05 -0.03 -0.87 0.00 0.00 176.83 176.98 3n1e h MET 839 N 0.88 0.16 -0.05 4.77 -1.53 -1.25 -1.89 114.93 116.02 3n1e h MET 839 Ca 0.17 -0.01 -0.11 0.00 -3.44 0.00 0.00 59.70 56.31 3n1e h MET 839 Cb 0.46 -0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.46 3n1e h MET 839 CO 0.02 0.11 -0.47 -0.07 0.14 0.00 0.00 176.91 176.63 3n1e h LEU 840 N 0.17 0.13 -1.08 3.39 3.38 -1.27 -0.24 115.31 119.79 3n1e h LEU 840 Ca 0.17 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3n1e h LEU 840 Cb 0.21 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3n1e h LEU 840 CO -0.24 0.59 0.29 0.03 0.09 0.00 0.00 178.44 179.20 3n1e h ARG 841 N 0.10 0.94 -0.18 1.13 3.08 -0.91 0.21 114.38 118.76 3n1e h ARG 841 Ca 0.00 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 3n1e h ARG 841 Cb 0.88 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 3n1e h ARG 841 CO 0.07 0.75 -0.03 0.45 -1.07 0.00 0.00 179.97 180.14 3n1e h HIS 842 N 0.93 0.38 -0.31 3.04 3.86 -0.76 -1.79 115.15 120.49 3n1e h HIS 842 Ca 0.22 -0.08 0.06 0.00 -1.16 0.00 0.00 60.37 59.42 3n1e h HIS 842 Cb 0.13 -0.09 -0.06 0.00 1.06 0.00 0.00 27.41 28.45 3n1e h HIS 842 CO 0.01 0.58 -0.09 0.35 0.86 0.00 0.00 177.93 179.64 3n1e h PHE 843 N 0.07 -0.19 -0.63 2.45 3.57 -0.74 -0.82 116.94 120.64 3n1e h PHE 843 Ca 0.05 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.66 3n1e h PHE 843 Cb 0.45 0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.25 3n1e h PHE 843 CO 0.05 -0.15 0.28 -0.44 -2.23 0.00 0.00 178.31 175.82 3n1e h ASP 844 N -0.01 0.34 -0.37 0.41 3.32 -0.48 -1.42 116.42 118.21 3n1e h ASP 844 Ca 0.15 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.22 3n1e h ASP 844 Cb 0.25 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3n1e h ASP 844 CO -0.33 0.21 0.05 -0.74 -1.72 0.00 0.00 179.24 176.71 3n1e h HIS 845 N 0.50 0.66 -0.49 4.55 2.76 -0.95 -0.73 115.15 121.46 3n1e h HIS 845 Ca 0.31 -0.09 -0.03 0.00 -2.20 0.00 0.00 60.37 58.35 3n1e h HIS 845 Cb 0.32 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 3n1e h HIS 845 CO -0.13 0.67 0.16 0.82 -1.30 0.00 0.00 177.93 178.15 3n1e h ILE 846 N 0.46 1.19 -0.37 6.26 2.04 -0.82 -3.17 117.51 123.10 3n1e h ILE 846 Ca 0.11 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.33 3n1e h ILE 846 Cb 0.37 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 3n1e h ILE 846 CO 0.01 0.24 0.00 0.35 0.00 0.00 0.00 178.15 178.75 3n1e n THR 847 N -4.33 0.74 0.14 -0.27 -2.24 -0.56 -4.67 114.28 103.09 3n1e n THR 847 Ca 0.04 -0.87 0.14 0.00 -2.27 0.00 0.00 64.05 61.08 3n1e n THR 847 Cb 0.18 0.71 0.67 0.00 -2.10 0.00 0.00 70.33 69.79 3n1e n THR 847 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3n1e h LYS 848 N 2.92 0.00 -0.48 -0.78 2.10 -1.10 -1.35 116.57 117.88 3n1e h LYS 848 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3n1e h LYS 848 Cb 0.78 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.11 3n1e h LYS 848 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 3n1e n ASP 849 N -4.43 3.46 0.19 7.07 8.00 -1.26 -4.69 116.55 124.89 3n1e n ASP 849 Ca 0.03 -1.96 -0.14 0.00 0.71 0.00 0.00 54.79 53.42 3n1e n ASP 849 Cb 0.33 -0.31 -0.07 0.00 -0.02 0.00 0.00 41.12 41.05 3n1e n ASP 849 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3n1e h TYR 850 N 3.86 -0.70 -0.48 1.24 3.20 -1.57 0.75 116.97 123.28 3n1e h TYR 850 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3n1e h TYR 850 Cb 0.91 0.27 -0.02 0.00 1.54 0.00 0.00 36.73 39.43 3n1e h TYR 850 CO 0.31 -0.39 0.25 0.45 -1.64 0.00 0.00 178.16 177.15 3n1e h HIS 851 N -0.57 0.68 -0.44 -3.82 3.86 -1.83 -1.22 115.15 111.80 3n1e h HIS 851 Ca -0.01 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.15 3n1e h HIS 851 Cb 0.52 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 3n1e h HIS 851 CO -0.16 0.52 0.17 -0.44 0.86 0.00 0.00 177.93 178.87 3n1e h ASP 852 N 0.64 0.62 -0.33 2.45 3.32 -1.84 -2.72 116.42 118.55 3n1e h ASP 852 Ca 0.17 -0.18 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 3n1e h ASP 852 Cb 0.08 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3n1e h ASP 852 CO -0.03 0.63 -0.21 -0.74 -1.72 0.00 0.00 179.24 177.17 3n1e h HIS 853 N 0.57 0.93 -0.93 4.55 2.76 -0.64 -2.39 115.15 119.99 3n1e h HIS 853 Ca 0.15 -0.21 0.08 0.00 -2.20 0.00 0.00 60.37 58.19 3n1e h HIS 853 Cb 0.21 -0.22 -0.07 0.00 1.55 0.00 0.00 27.41 28.88 3n1e h HIS 853 CO 0.00 0.95 0.60 0.82 -1.30 0.00 0.00 177.93 179.01 3n1e h ILE 854 N 0.72 1.03 -0.12 6.26 5.03 -1.16 -1.60 117.51 127.66 3n1e h ILE 854 Ca 0.10 -0.35 -0.08 0.00 -0.12 0.00 0.00 64.86 64.41 3n1e h ILE 854 Cb 0.73 -0.08 -0.01 0.00 -3.03 0.00 0.00 36.82 34.43 3n1e h ILE 854 CO 0.06 0.19 -0.27 0.00 -0.68 0.00 0.00 178.15 177.44 3n1e h ALA 855 N 1.51 1.32 -0.21 1.87 0.00 -1.12 0.41 119.26 123.05 3n1e h ALA 855 Ca 0.42 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 3n1e h ALA 855 Cb 0.28 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3n1e h ALA 855 CO -0.17 0.47 -0.34 0.93 0.00 0.00 0.00 179.25 180.13 3n1e h GLU 856 N 0.20 0.60 -0.48 0.00 5.08 -0.99 -0.20 114.58 118.78 3n1e h GLU 856 Ca 0.03 -0.37 -0.03 0.00 -1.00 0.00 0.00 59.36 58.00 3n1e h GLU 856 Cb 0.59 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 3n1e h GLU 856 CO 0.04 0.98 0.20 0.82 -1.00 0.00 0.00 179.01 180.04 3n1e h ILE 857 N 0.28 1.21 0.00 3.13 2.04 -1.14 -2.86 117.51 120.17 3n1e h ILE 857 Ca 0.02 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 3n1e h ILE 857 Cb 0.93 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 3n1e h ILE 857 CO 0.08 0.24 -0.05 0.28 0.00 0.00 0.00 178.15 178.69 3n1e h SER 858 N 0.63 0.00 -0.95 1.72 0.02 -0.78 -1.44 113.55 112.75 3n1e h SER 858 Ca 0.16 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.18 3n1e h SER 858 Cb 0.19 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.66 3n1e h SER 858 CO -0.01 0.05 0.60 0.00 -1.14 0.00 0.00 176.83 176.33 3n1e h ALA 859 N 1.95 1.32 -0.34 3.77 0.00 -0.79 -0.38 119.26 124.79 3n1e h ALA 859 Ca -0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3n1e h ALA 859 Cb 0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3n1e h ALA 859 CO 0.01 0.37 -0.19 0.87 0.00 0.00 0.00 179.25 180.30 3n1e h LYS 860 N 1.09 0.64 -0.37 0.00 1.57 -1.27 -1.25 116.57 116.97 3n1e h LYS 860 Ca 0.41 -0.23 -0.09 0.00 -1.87 0.00 0.00 60.65 58.88 3n1e h LYS 860 Cb 0.19 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3n1e h LYS 860 CO -0.18 0.79 -0.11 1.25 -0.57 0.00 0.00 179.45 180.64 3n1e h LEU 861 N 0.57 0.74 -1.29 2.94 5.85 -1.22 -1.67 115.31 121.23 3n1e h LEU 861 Ca 0.09 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3n1e h LEU 861 Cb 0.65 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 3n1e h LEU 861 CO 0.05 0.94 0.42 0.58 -0.34 0.00 0.00 178.44 180.09 3n1e h VAL 862 N 0.53 1.18 -0.40 1.05 2.07 -0.90 -1.54 116.25 118.25 3n1e h VAL 862 Ca 0.09 -0.38 -0.15 0.00 0.82 0.00 0.00 66.70 67.09 3n1e h VAL 862 Cb 0.63 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3n1e h VAL 862 CO 0.04 0.19 -0.34 0.00 0.02 0.00 0.00 177.57 177.48 3n1e h ALA 863 N 1.55 0.64 -0.37 1.67 0.00 -0.98 0.20 119.26 121.96 3n1e h ALA 863 Ca 0.24 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.73 3n1e h ALA 863 Cb -0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3n1e h ALA 863 CO -0.05 0.67 0.23 0.82 0.00 0.00 0.00 179.25 180.93 3n1e h ILE 864 N 0.76 1.07 -0.28 0.00 2.04 -0.98 -1.72 117.51 118.40 3n1e h ILE 864 Ca 0.07 -0.16 -0.16 0.00 1.00 0.00 0.00 64.86 65.62 3n1e h ILE 864 Cb 0.92 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3n1e h ILE 864 CO 0.09 0.09 -0.46 0.24 0.00 0.00 0.00 178.15 178.11 3n1e h MET 865 N 0.47 0.72 -0.81 2.37 2.86 -0.92 -2.52 114.93 117.10 3n1e h MET 865 Ca 0.14 -0.40 0.09 0.00 -2.06 0.00 0.00 59.70 57.47 3n1e h MET 865 Cb -0.02 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.59 3n1e h MET 865 CO -0.05 1.02 0.47 0.22 1.06 0.00 0.00 176.91 179.63 3n1e h ASP 866 N 0.57 0.68 -0.59 1.22 3.58 -0.43 -0.02 116.42 121.43 3n1e h ASP 866 Ca 0.03 0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.45 3n1e h ASP 866 Cb 1.01 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.95 3n1e h ASP 866 CO 0.10 0.40 0.05 -1.28 -2.88 0.00 0.00 179.24 175.62 3n1e h SER 867 N 0.80 0.98 -0.22 2.28 0.87 -1.14 -0.94 113.55 116.19 3n1e h SER 867 Ca 0.39 -0.28 0.01 0.00 -1.23 0.00 0.00 61.79 60.67 3n1e h SER 867 Cb 0.33 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 3n1e h SER 867 CO -0.23 1.02 0.12 0.25 -0.53 0.00 0.00 176.83 177.46 3n1e h LEU 868 N 0.91 0.19 -0.80 2.23 5.85 -0.98 -1.13 115.31 121.57 3n1e h LEU 868 Ca 0.17 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 3n1e h LEU 868 Cb 0.49 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 3n1e h LEU 868 CO 0.02 0.14 0.48 -0.26 -0.34 0.00 0.00 178.44 178.48 3n1e h PHE 869 N 0.25 1.05 -0.36 1.25 0.04 -0.84 -0.09 116.94 118.24 3n1e h PHE 869 Ca 0.09 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 3n1e h PHE 869 Cb 0.01 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 37.79 3n1e h PHE 869 CO -0.08 0.70 0.16 0.22 -0.60 0.00 0.00 178.31 178.71 3n1e h ASP 870 N 1.10 0.48 -0.19 2.17 3.58 -0.98 0.70 116.42 123.27 3n1e h ASP 870 Ca 0.29 -0.15 -0.00 0.00 0.42 0.00 0.00 57.03 57.59 3n1e h ASP 870 Cb -0.04 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 3n1e h ASP 870 CO -0.05 0.49 0.10 0.50 -2.88 0.00 0.00 179.24 177.40 3n1e h LYS 871 N 0.43 0.27 -0.03 0.28 3.64 -0.82 -2.33 116.57 118.02 3n1e h LYS 871 Ca 0.12 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3n1e h LYS 871 Cb 0.15 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3n1e h LYS 871 CO -0.01 0.26 -0.18 -0.07 -2.27 0.00 0.00 179.45 177.18 3n1e h LEU 872 N 0.20 0.21 -0.99 5.20 3.38 -0.95 -3.32 115.31 119.04 3n1e h LEU 872 Ca 0.07 -0.69 -0.03 0.00 0.09 0.00 0.00 57.88 57.31 3n1e h LEU 872 Cb 0.08 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3n1e h LEU 872 CO -0.01 0.87 -0.16 -0.07 0.09 0.00 0.00 178.44 179.16 3n1e h LEU 873 N -0.44 0.00 -0.66 1.67 3.38 -0.91 -2.45 115.31 115.90 3n1e h LEU 873 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3n1e h LEU 873 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3n1e h LEU 873 CO 0.04 0.16 0.00 0.77 0.09 0.00 0.00 178.44 179.50 3n1e h SER 874 N 0.00 0.00 -0.19 -0.43 4.64 -1.51 -2.57 113.55 113.49 3n1e h SER 874 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3n1e h SER 874 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3n1e h SER 874 CO 0.02 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 3n1e n LYS 875 N -2.30 1.77 -2.26 4.77 5.02 -0.93 -5.03 118.16 119.19 3n1e n LYS 875 Ca 0.02 -1.73 -0.42 0.00 -2.02 0.00 0.00 58.31 54.16 3n1e n LYS 875 Cb 0.26 -1.32 -0.03 0.00 -0.02 0.00 0.00 35.03 33.92 3n1e n LYS 875 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3n1e s TYR 876 N -1.17 3.31 -0.01 2.13 5.04 -0.97 -5.02 117.35 120.67 3n1e s TYR 876 Ca 0.23 1.12 0.08 0.00 -2.44 0.00 0.00 57.07 56.06 3n1e s TYR 876 Cb 0.14 -3.58 -0.02 0.00 0.35 0.00 0.00 41.96 38.85 3n1e s TYR 876 CO 0.20 -1.92 -0.25 -1.21 -1.34 0.00 0.00 175.55 171.03 3n1e s GLU 877 N 0.80 2.06 -0.47 4.97 0.41 -1.26 -5.06 118.70 120.15 3n1e s GLU 877 Ca 0.61 -0.96 -0.25 0.00 -0.41 0.00 0.00 54.97 53.96 3n1e s GLU 877 Cb -0.34 -2.05 0.03 0.00 -1.78 0.00 0.00 34.13 29.99 3n1e s GLU 877 CO 0.32 0.55 0.90 0.08 -0.49 0.00 0.00 175.26 176.62 3n1e s VAL 878 N -0.66 4.50 0.13 2.63 1.01 -1.26 -4.98 120.40 121.77 3n1e s VAL 878 Ca 0.11 0.62 -0.24 0.00 0.00 0.00 0.00 61.98 62.46 3n1e s VAL 878 Cb -0.10 -4.42 0.07 0.00 0.00 0.00 0.00 36.38 31.93 3n1e s VAL 878 CO -0.00 -0.84 0.68 -1.59 0.00 0.00 0.00 175.10 173.34 3n1e s LYS 879 N 3.68 1.22 0.56 2.72 -2.85 -1.26 -5.06 119.74 118.73 3n1e s LYS 879 Ca 0.35 -0.48 -0.16 0.00 -1.00 0.00 0.00 55.97 54.69 3n1e s LYS 879 Cb -0.11 0.54 -0.06 0.00 -2.06 0.00 0.00 37.83 36.14 3n1e s LYS 879 CO 0.25 -0.54 1.01 0.00 0.10 0.00 0.00 175.35 176.18 3n1e s ALA 880 N -3.61 2.95 0.58 0.59 0.00 -1.26 -4.60 121.76 116.41 3n1e s ALA 880 Ca 0.03 0.22 -0.05 0.00 0.00 0.00 0.00 51.96 52.15 3n1e s ALA 880 Cb -0.01 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 19.97 3n1e s ALA 880 CO -0.10 -0.49 0.88 -1.25 0.00 0.00 0.00 175.76 174.80 3n1e s PRO 881 N -4.21 2.88 -0.08 0.00 0.04 -1.26 -5.10 135.00 127.27 3n1e s PRO 881 Ca 0.60 -0.08 0.04 0.00 0.04 0.00 0.00 61.00 61.59 3n1e s PRO 881 Cb -0.12 -2.30 -0.01 0.00 0.04 0.00 0.00 34.50 32.11 3n1e s PRO 881 CO 0.36 -0.70 -0.19 0.08 0.04 0.00 0.00 177.00 176.59 3n1e s VAL 882 N -2.96 2.57 0.30 -0.36 1.01 -1.26 -3.16 120.40 116.54 3n1e s VAL 882 Ca 0.54 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 61.36 3n1e s VAL 882 Cb -0.10 -2.00 -0.10 0.00 0.00 0.00 0.00 36.38 34.18 3n1e s VAL 882 CO 0.44 0.56 1.13 -2.16 0.00 0.00 0.00 175.10 175.07 3n1e s PRO 883 N -0.13 4.55 0.84 2.72 0.04 -1.26 -5.06 135.00 136.69 3n1e s PRO 883 Ca -0.03 1.84 -0.10 0.00 0.04 0.00 0.00 61.00 62.75 3n1e s PRO 883 Cb -0.14 -3.11 0.10 0.00 0.04 0.00 0.00 34.50 31.39 3n1e s PRO 883 CO 0.04 0.12 1.12 -1.54 0.04 0.00 0.00 177.00 176.78 3n1e s SER 884 N -0.88 3.73 0.28 6.66 1.04 -1.19 -4.74 113.70 118.59 3n1e s SER 884 Ca 0.46 2.02 0.01 0.00 0.48 0.00 0.00 55.95 58.92 3n1e s SER 884 Cb -0.32 -2.55 0.55 0.00 0.10 0.00 0.00 66.02 63.80 3n1e s SER 884 CO 0.42 -2.56 1.83 -0.65 0.98 0.00 0.00 173.24 173.26 3n1e h PRO 885 N -1.45 0.94 -0.00 4.02 0.11 -1.96 0.18 132.00 133.83 3n1e h PRO 885 Ca -0.43 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 65.64 3n1e h PRO 885 Cb 1.25 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 3n1e h PRO 885 CO 0.46 0.62 -0.14 0.00 -0.21 0.00 0.00 178.00 178.74 3n1e h PHE 887 N -0.23 0.30 -0.78 0.00 -1.00 -1.78 -1.10 116.94 112.36 3n1e h PHE 887 Ca 0.05 -0.09 -0.01 0.00 2.81 0.00 0.00 57.97 60.73 3n1e h PHE 887 Cb 0.29 -0.06 -0.04 0.00 3.61 0.00 0.00 35.95 39.75 3n1e h PHE 887 CO -0.19 0.68 0.46 0.00 -1.61 0.00 0.00 178.31 177.64 3n1e h ARG 888 N 0.20 1.06 0.08 1.51 3.08 -0.66 -0.33 114.38 119.32 3n1e h ARG 888 Ca 0.01 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 3n1e h ARG 888 Cb 0.91 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.74 3n1e h ARG 888 CO 0.07 0.75 -0.04 -0.97 -1.07 0.00 0.00 179.97 178.72 3n1e h ASN 889 N 1.06 -0.09 -0.20 7.04 -0.73 -0.87 -0.08 115.58 121.70 3n1e h ASN 889 Ca 0.28 -0.22 0.05 0.00 1.87 0.00 0.00 56.30 58.27 3n1e h ASN 889 Cb -0.03 0.02 -0.05 0.00 0.27 0.00 0.00 38.32 38.54 3n1e h ASN 889 CO -0.05 0.17 -0.11 0.40 -0.37 0.00 0.00 177.43 177.47 3n1e h ILE 890 N -0.36 0.66 -0.36 2.57 2.04 -1.12 -1.53 117.51 119.40 3n1e h ILE 890 Ca -0.01 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.75 3n1e h ILE 890 Cb 0.31 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 3n1e h ILE 890 CO 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 178.15 177.98 3n1e h LYS 892 N 0.61 0.78 -0.18 0.00 3.64 -0.68 -1.22 116.57 119.52 3n1e h LYS 892 Ca 0.09 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 3n1e h LYS 892 Cb 0.66 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3n1e h LYS 892 CO 0.05 0.55 -0.41 1.96 -2.27 0.00 0.00 179.45 179.33 3n1e h GLN 893 N 0.78 0.40 -0.33 1.90 1.08 -0.83 -0.50 115.11 117.62 3n1e h GLN 893 Ca 0.21 -0.20 -0.11 0.00 -1.45 0.00 0.00 58.65 57.10 3n1e h GLN 893 Cb -0.03 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 3n1e h GLN 893 CO -0.04 0.75 -0.26 0.52 -0.95 0.00 0.00 178.83 178.85 3n1e h MET 894 N 0.33 0.66 -0.43 1.46 2.86 -1.03 0.53 114.93 119.31 3n1e h MET 894 Ca 0.03 -0.27 -0.14 0.00 -2.06 0.00 0.00 59.70 57.26 3n1e h MET 894 Cb 0.86 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 3n1e h MET 894 CO 0.07 0.85 -0.27 1.15 1.06 0.00 0.00 176.91 179.77 3n1e h THR 895 N 0.57 1.27 -0.43 2.22 2.02 -0.92 -1.49 112.91 116.14 3n1e h THR 895 Ca 0.08 -1.43 -0.08 0.00 0.77 0.00 0.00 66.41 65.74 3n1e h THR 895 Cb 0.74 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 3n1e h THR 895 CO 0.06 0.49 -0.08 0.11 0.37 0.00 0.00 175.52 176.47 3n1e h LYS 896 N 0.78 0.75 -0.55 6.66 1.79 -0.85 -1.20 116.57 123.96 3n1e h LYS 896 Ca 0.09 -0.23 -0.03 0.00 -2.18 0.00 0.00 60.65 58.30 3n1e h LYS 896 Cb 0.85 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.41 3n1e h LYS 896 CO 0.08 0.81 0.22 1.98 -1.08 0.00 0.00 179.45 181.46 3n1e h MET 897 N 0.69 0.82 -0.60 3.15 4.05 -0.74 -1.05 114.93 121.25 3n1e h MET 897 Ca 0.12 -0.15 -0.04 0.00 -0.28 0.00 0.00 59.70 59.35 3n1e h MET 897 Cb 0.53 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.17 3n1e h MET 897 CO 0.03 0.71 0.21 1.25 0.23 0.00 0.00 176.91 179.34 3n1e h HIS 898 N 0.75 0.94 -0.69 1.39 -0.00 -0.83 -1.97 115.15 114.74 3n1e h HIS 898 Ca 0.18 -0.08 -0.03 0.00 -0.00 0.00 0.00 60.37 60.44 3n1e h HIS 898 Cb 0.19 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.30 3n1e h HIS 898 CO 0.01 0.77 0.30 0.93 -0.00 0.00 0.00 177.93 179.93 3n1e h GLU 899 N 0.84 1.00 -0.22 5.26 5.08 -0.97 -1.44 114.58 124.13 3n1e h GLU 899 Ca 0.20 -0.15 -0.12 0.00 -1.00 0.00 0.00 59.36 58.28 3n1e h GLU 899 Cb 0.25 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3n1e h GLU 899 CO -0.01 0.79 -0.39 0.00 -1.00 0.00 0.00 179.01 178.40 3n1e h ALA 900 N 1.34 0.92 -0.01 3.43 0.00 -0.63 -3.33 119.26 120.98 3n1e h ALA 900 Ca 0.24 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3n1e h ALA 900 Cb 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3n1e h ALA 900 CO -0.02 0.63 -0.35 0.44 0.00 0.00 0.00 179.25 179.95 3n1e n ILE 901 N -4.04 0.00 -0.21 0.00 -6.64 -0.79 -4.66 119.36 103.02 3n1e n ILE 901 Ca -0.01 -0.33 0.01 0.00 -1.77 0.00 0.00 62.75 60.65 3n1e n ILE 901 Cb 0.50 1.17 0.12 0.00 -1.44 0.00 0.00 39.64 39.99 3n1e n ILE 901 CO 0.00 0.00 0.00 0.15 -1.77 0.00 0.00 176.55 174.93 3n1e h PHE 902 N 1.60 0.42 -0.15 4.28 3.57 -1.37 -0.50 116.94 124.78 3n1e h PHE 902 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3n1e h PHE 902 Cb 0.51 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.16 3n1e h PHE 902 CO 0.00 0.09 0.00 -0.25 -2.23 0.00 0.00 178.31 175.92 3n1e n ASP 903 N -5.00 1.42 -0.00 0.41 8.00 -1.26 -3.97 116.55 116.15 3n1e n ASP 903 Ca 0.10 -1.68 0.04 0.00 0.71 0.00 0.00 54.79 53.95 3n1e n ASP 903 Cb 0.30 -0.10 -0.05 0.00 -0.02 0.00 0.00 41.12 41.25 3n1e n ASP 903 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3n1e n LEU 904 N 0.16 0.17 -4.19 0.64 4.77 -0.29 -4.99 117.00 113.27 3n1e n LEU 904 Ca 0.15 -0.24 -0.25 0.00 -0.03 0.00 0.00 56.01 55.64 3n1e n LEU 904 Cb 0.29 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.22 3n1e n LEU 904 CO 0.12 0.04 -0.51 -0.76 -1.33 0.00 0.00 177.39 174.95 3n1e s LEU 905 N -2.97 2.06 0.83 2.23 1.43 -0.66 -5.11 118.68 116.49 3n1e s LEU 905 Ca -0.00 -0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 52.61 3n1e s LEU 905 Cb 0.05 -0.95 0.09 0.00 0.03 0.00 0.00 46.19 45.41 3n1e s LEU 905 CO 0.31 0.22 1.19 -2.65 0.23 0.00 0.00 176.35 175.65 3n1e n PRO 906 N 2.50 0.08 -0.22 1.29 -0.02 -1.26 -4.78 135.00 132.60 3n1e n PRO 906 Ca -0.15 0.11 -0.02 0.00 -2.02 0.00 0.00 63.50 61.41 3n1e n PRO 906 Cb 0.54 -2.43 0.08 0.00 -0.02 0.00 0.00 33.50 31.67 3n1e n PRO 906 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3n1e h GLU 907 N -1.06 0.65 -0.82 -0.52 4.81 -1.99 -1.65 114.58 114.00 3n1e h GLU 907 Ca -0.46 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 3n1e h GLU 907 Cb 1.29 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 3n1e h GLU 907 CO 0.45 0.43 0.46 1.49 -0.73 0.00 0.00 179.01 181.11 3n1e h GLU 908 N 0.67 1.13 -0.09 1.92 4.81 -1.98 -0.52 114.58 120.52 3n1e h GLU 908 Ca 0.28 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 59.29 3n1e h GLU 908 Cb 0.15 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3n1e h GLU 908 CO -0.16 0.82 -0.38 1.96 -0.73 0.00 0.00 179.01 180.51 3n1e h GLN 909 N 1.13 0.18 -0.30 1.92 7.50 -1.82 -0.85 115.11 122.86 3n1e h GLN 909 Ca 0.29 -0.08 -0.12 0.00 0.50 0.00 0.00 58.65 59.24 3n1e h GLN 909 Cb 0.00 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.52 3n1e h GLN 909 CO -0.05 0.54 -0.27 1.15 -1.50 0.00 0.00 178.83 178.71 3n1e h THR 910 N 0.16 1.30 -0.40 -0.54 2.02 -0.66 0.18 112.91 114.96 3n1e h THR 910 Ca 0.02 -1.42 0.03 0.00 0.77 0.00 0.00 66.41 65.80 3n1e h THR 910 Cb 0.75 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.66 3n1e h THR 910 CO 0.06 0.46 0.20 1.56 0.37 0.00 0.00 175.52 178.17 3n1e h GLN 911 N 0.47 0.40 -0.73 6.66 4.20 -0.91 -1.70 115.11 123.50 3n1e h GLN 911 Ca 0.05 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 3n1e h GLN 911 Cb 0.83 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.49 3n1e h GLN 911 CO 0.07 0.26 0.29 0.52 -0.67 0.00 0.00 178.83 179.30 3n1e h MET 912 N 0.41 1.09 -0.28 1.46 2.86 -0.99 -0.88 114.93 118.60 3n1e h MET 912 Ca 0.17 -0.19 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3n1e h MET 912 Cb 0.07 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 3n1e h MET 912 CO -0.11 0.89 0.17 1.25 1.06 0.00 0.00 176.91 180.17 3n1e h LEU 913 N 1.07 0.34 -1.20 1.22 5.85 -0.76 -2.25 115.31 119.57 3n1e h LEU 913 Ca 0.25 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 3n1e h LEU 913 Cb 0.21 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3n1e h LEU 913 CO -0.02 0.28 -0.39 -0.26 -0.34 0.00 0.00 178.44 177.72 3n1e h PHE 914 N 0.36 0.03 -0.61 1.25 0.04 -0.93 -0.60 116.94 116.48 3n1e h PHE 914 Ca 0.10 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.81 3n1e h PHE 914 Cb 0.01 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 3n1e h PHE 914 CO -0.05 0.41 0.15 -0.07 -0.60 0.00 0.00 178.31 178.15 3n1e h LEU 915 N 0.02 0.90 -0.31 1.54 3.38 -0.88 0.72 115.31 120.69 3n1e h LEU 915 Ca -0.00 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 3n1e h LEU 915 Cb 0.69 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3n1e h LEU 915 CO 0.05 0.87 -0.18 0.03 0.09 0.00 0.00 178.44 179.30 3n1e h ARG 916 N 0.92 0.67 -0.26 1.13 3.08 -0.80 -1.38 114.38 117.73 3n1e h ARG 916 Ca 0.20 -0.30 0.01 0.00 0.07 0.00 0.00 59.98 59.95 3n1e h ARG 916 Cb 0.33 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3n1e h ARG 916 CO 0.00 0.90 0.16 0.82 -1.07 0.00 0.00 179.97 180.78 3n1e h ILE 917 N 0.42 1.05 -0.95 2.04 1.08 -1.04 -2.03 117.51 118.09 3n1e h ILE 917 Ca 0.06 -0.11 0.06 0.00 -0.39 0.00 0.00 64.86 64.48 3n1e h ILE 917 Cb 0.72 0.69 -0.06 0.00 -3.07 0.00 0.00 36.82 35.10 3n1e h ILE 917 CO 0.05 0.06 0.62 -1.13 -0.69 0.00 0.00 178.15 177.06 3n1e h ASN 918 N 0.33 0.98 -0.67 1.72 -0.73 -0.75 -0.60 115.58 115.86 3n1e h ASN 918 Ca 0.10 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.22 3n1e h ASN 918 Cb -0.02 -0.21 -0.03 0.00 0.27 0.00 0.00 38.32 38.33 3n1e h ASN 918 CO -0.03 0.65 0.24 0.00 -0.37 0.00 0.00 177.43 177.92 3n1e h ALA 919 N 1.47 0.87 -0.27 1.57 0.00 -0.89 -0.95 119.26 121.05 3n1e h ALA 919 Ca 0.40 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3n1e h ALA 919 Cb 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3n1e h ALA 919 CO -0.14 0.51 0.10 1.03 0.00 0.00 0.00 179.25 180.75 3n1e h SER 920 N 0.95 0.38 -0.36 0.00 0.87 -0.74 -1.80 113.55 112.86 3n1e h SER 920 Ca 0.22 -0.17 0.07 0.00 -1.23 0.00 0.00 61.79 60.67 3n1e h SER 920 Cb 0.24 -0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.04 3n1e h SER 920 CO -0.01 0.45 -0.01 0.22 -0.53 0.00 0.00 176.83 176.95 3n1e h TYR 921 N 0.29 -0.04 -0.72 2.24 5.03 -0.89 -2.05 116.97 120.83 3n1e h TYR 921 Ca 0.09 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.39 3n1e h TYR 921 Cb 0.19 0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.51 3n1e h TYR 921 CO -0.00 -0.08 0.30 0.87 -1.32 0.00 0.00 178.16 177.93 3n1e h LYS 922 N 0.09 1.05 -0.33 1.82 1.57 -1.07 0.58 116.57 120.28 3n1e h LYS 922 Ca 0.18 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3n1e h LYS 922 Cb 0.25 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3n1e h LYS 922 CO -0.30 0.84 0.10 1.25 -0.57 0.00 0.00 179.45 180.77 3n1e h LEU 923 N 1.04 0.48 -0.57 2.94 6.46 -0.86 0.11 115.31 124.90 3n1e h LEU 923 Ca 0.24 -0.21 -0.15 0.00 -0.12 0.00 0.00 57.88 57.65 3n1e h LEU 923 Cb 0.17 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 39.97 3n1e h LEU 923 CO -0.02 0.56 -0.52 0.45 -0.62 0.00 0.00 178.44 178.29 3n1e h HIS 924 N 0.38 0.65 -0.22 1.25 3.86 -1.09 -1.85 115.15 118.13 3n1e h HIS 924 Ca 0.11 -0.22 -0.06 0.00 -1.16 0.00 0.00 60.37 59.03 3n1e h HIS 924 Cb 0.25 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 3n1e h HIS 924 CO 0.01 0.93 -0.11 1.25 0.86 0.00 0.00 177.93 180.86 3n1e h LEU 925 N 0.41 0.48 -0.69 2.43 5.85 -0.73 -2.40 115.31 120.66 3n1e h LEU 925 Ca 0.01 -0.42 0.08 0.00 0.84 0.00 0.00 57.88 58.39 3n1e h LEU 925 Cb 1.05 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 3n1e h LEU 925 CO 0.10 0.79 0.36 0.50 -0.34 0.00 0.00 178.44 179.84 3n1e h LYS 926 N 0.16 0.61 -0.62 1.25 3.64 -0.73 -0.28 116.57 120.60 3n1e h LYS 926 Ca 0.05 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3n1e h LYS 926 Cb 0.61 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 3n1e h LYS 926 CO 0.03 0.41 0.41 0.87 -2.27 0.00 0.00 179.45 178.90 3n1e h LYS 927 N 0.63 0.81 -0.24 1.90 1.57 -1.20 -1.62 116.57 118.43 3n1e h LYS 927 Ca 0.33 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.88 3n1e h LYS 927 Cb 0.29 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 3n1e h LYS 927 CO -0.23 0.54 -0.55 0.37 -0.57 0.00 0.00 179.45 179.00 3n1e h GLN 928 N 0.83 0.72 -0.50 3.15 5.75 -0.89 -0.86 115.11 123.30 3n1e h GLN 928 Ca 0.23 -0.45 -0.06 0.00 -0.15 0.00 0.00 58.65 58.22 3n1e h GLN 928 Cb -0.09 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.49 3n1e h GLN 928 CO -0.05 1.07 0.08 -0.07 -2.65 0.00 0.00 178.83 177.21 3n1e h LEU 929 N 0.55 0.74 -0.33 -2.39 3.38 -0.82 0.22 115.31 116.65 3n1e h LEU 929 Ca 0.01 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 3n1e h LEU 929 Cb 1.13 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3n1e h LEU 929 CO 0.11 0.76 -0.14 -1.28 0.09 0.00 0.00 178.44 177.98 3n1e h SER 930 N 0.75 0.70 -0.70 -0.43 0.87 -1.07 -0.95 113.55 112.71 3n1e h SER 930 Ca 0.16 -0.40 0.04 0.00 -1.23 0.00 0.00 61.79 60.36 3n1e h SER 930 Cb 0.35 -0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 62.07 3n1e h SER 930 CO 0.01 0.94 0.43 -0.74 -0.53 0.00 0.00 176.83 176.94 3n1e h HIS 931 N 0.45 0.81 -0.00 2.24 -0.00 -0.65 -2.15 115.15 115.85 3n1e h HIS 931 Ca 0.08 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.47 3n1e h HIS 931 Cb 0.66 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.81 3n1e h HIS 931 CO 0.06 0.45 -0.03 1.28 -0.00 0.00 0.00 177.93 179.69 3n1e n LEU 932 N -4.68 0.17 -3.77 0.26 4.77 0.02 -4.93 117.00 108.83 3n1e n LEU 932 Ca 0.08 0.10 -0.26 0.00 -0.03 0.00 0.00 56.01 55.90 3n1e n LEU 932 Cb 0.11 -0.16 0.04 0.00 -2.33 0.00 0.00 43.42 41.08 3n1e n LEU 932 CO 0.32 0.03 0.09 0.59 -1.33 0.00 0.00 177.39 177.09 3n1e n ASN 933 N -1.06 -3.96 -4.70 -1.43 5.03 -0.48 -4.98 115.26 103.68 3n1e n ASN 933 Ca 0.18 -0.74 -0.38 0.00 0.87 0.00 0.00 54.58 54.51 3n1e n ASN 933 Cb 0.21 -4.21 -0.07 0.00 -1.02 0.00 0.00 39.78 34.69 3n1e n ASN 933 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3n1e s VAL 934 N -3.41 5.19 0.27 2.41 1.01 -0.54 -5.05 120.40 120.28 3n1e s VAL 934 Ca 0.44 0.86 0.09 0.00 0.00 0.00 0.00 61.98 63.36 3n1e s VAL 934 Cb -0.21 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 3n1e s VAL 934 CO 0.80 0.29 -0.13 0.27 0.00 0.00 0.00 175.10 176.33 3n1e s ILE 935 N 0.95 2.04 -1.43 2.22 -4.36 -1.26 -4.68 121.20 114.68 3n1e s ILE 935 Ca 0.23 -2.25 -0.09 0.00 -0.26 0.00 0.00 60.65 58.28 3n1e s ILE 935 Cb -0.15 -2.32 0.06 0.00 1.25 0.00 0.00 42.46 41.30 3n1e s ILE 935 CO 0.09 -0.40 2.44 -3.20 0.24 0.00 0.00 174.94 174.11 3n1e n ASN 936 N -0.57 7.13 -0.64 4.36 4.05 -1.26 -4.36 115.26 123.96 3n1e n ASN 936 Ca -0.06 -2.92 0.08 0.00 0.45 0.00 0.00 54.58 52.12 3n1e n ASN 936 Cb 0.61 -1.48 0.07 0.00 1.23 0.00 0.00 39.78 40.21 3n1e n ASN 936 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 3n1e n ASP 937 N 3.29 2.35 0.00 1.20 5.68 -1.26 -4.98 116.55 122.83 3n1e n ASP 937 Ca 0.62 -1.67 0.00 0.00 -0.50 0.00 0.00 54.79 53.24 3n1e n ASP 937 Cb 0.28 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 3n1e n ASP 937 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3n1e n GLY 938 N 0.89 0.90 3.76 6.12 0.00 -1.26 -5.05 105.19 110.54 3n1e n GLY 938 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 3n1e n GLY 938 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3n1e s GLY 939 N -1.75 1.59 0.27 -0.02 0.00 -1.26 -4.74 107.32 101.41 3n1e s GLY 939 Ca 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 44.72 44.09 3n1e s GLY 939 CO 0.00 0.01 1.82 -2.55 0.00 0.00 0.00 173.10 172.38 3n1e h PRO 940 N -1.72 0.89 -0.04 2.90 0.11 -1.98 0.31 132.00 132.46 3n1e h PRO 940 Ca -0.50 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.55 3n1e h PRO 940 Cb 1.32 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3n1e h PRO 940 CO 0.56 0.59 0.01 1.96 -0.21 0.00 0.00 178.00 180.90 3n1e h GLN 941 N 0.91 0.07 -0.84 1.05 4.20 -1.95 -1.00 115.11 117.55 3n1e h GLN 941 Ca 0.46 -0.02 0.13 0.00 0.06 0.00 0.00 58.65 59.28 3n1e h GLN 941 Cb 0.43 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.12 3n1e h GLN 941 CO -0.26 0.28 0.44 -0.97 -0.67 0.00 0.00 178.83 177.65 3n1e h ASN 942 N -0.16 0.56 -0.73 1.46 -0.00 -1.64 -2.20 115.58 112.86 3n1e h ASN 942 Ca 0.01 0.08 -0.02 0.00 -0.00 0.00 0.00 56.30 56.37 3n1e h ASN 942 Cb 0.25 -0.01 -0.04 0.00 -0.00 0.00 0.00 38.32 38.52 3n1e h ASN 942 CO 0.00 0.26 0.39 1.23 -0.00 0.00 0.00 177.43 179.31 3n1e h GLY 943 N 0.66 1.12 1.17 1.57 0.00 -0.48 -0.11 103.07 106.99 3n1e h GLY 943 Ca 0.44 -0.51 -0.16 0.00 0.00 0.00 0.00 47.33 47.10 3n1e h GLY 943 CO -0.33 0.49 -0.41 1.41 0.00 0.00 0.00 176.54 177.70 3n1e h LEU 944 N 1.05 0.97 -0.36 3.11 3.38 -0.59 -0.85 115.31 122.02 3n1e h LEU 944 Ca 0.26 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 3n1e h LEU 944 Cb 0.06 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3n1e h LEU 944 CO -0.04 1.25 0.06 0.58 0.09 0.00 0.00 178.44 180.38 3n1e h VAL 945 N 0.73 1.24 -0.93 1.22 2.07 -0.97 -0.83 116.25 118.78 3n1e h VAL 945 Ca 0.05 -0.84 0.14 0.00 0.82 0.00 0.00 66.70 66.88 3n1e h VAL 945 Cb 1.00 1.10 -0.09 0.00 -1.52 0.00 0.00 31.29 31.78 3n1e h VAL 945 CO 0.10 0.28 0.54 0.74 0.02 0.00 0.00 177.57 179.25 3n1e h THR 946 N 0.43 0.80 -0.20 2.57 2.02 -0.80 0.13 112.91 117.86 3n1e h THR 946 Ca 0.11 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 3n1e h THR 946 Cb 0.36 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 3n1e h THR 946 CO 0.01 0.14 -0.02 0.00 0.37 0.00 0.00 175.52 176.02 3n1e h ALA 947 N 1.56 0.27 -0.71 6.16 0.00 -0.82 -0.03 119.26 125.69 3n1e h ALA 947 Ca 0.49 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3n1e h ALA 947 Cb 0.63 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3n1e h ALA 947 CO -0.33 0.02 0.31 0.22 0.00 0.00 0.00 179.25 179.47 3n1e h ASP 948 N 0.10 0.95 -0.38 0.00 1.82 -0.45 -1.82 116.42 116.65 3n1e h ASP 948 Ca 0.05 -0.15 -0.08 0.00 -0.39 0.00 0.00 57.03 56.46 3n1e h ASP 948 Cb 0.45 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.19 3n1e h ASP 948 CO 0.01 0.84 -0.03 0.58 -1.61 0.00 0.00 179.24 179.03 3n1e h VAL 949 N 1.00 1.25 -0.77 2.25 2.07 -0.69 -1.90 116.25 119.46 3n1e h VAL 949 Ca 0.24 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.72 3n1e h VAL 949 Cb 0.17 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 3n1e h VAL 949 CO -0.02 0.36 0.49 0.00 0.02 0.00 0.00 177.57 178.42 3n1e h ALA 950 N 1.24 1.41 -0.24 1.67 0.00 -0.45 0.68 119.26 123.57 3n1e h ALA 950 Ca 0.14 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3n1e h ALA 950 Cb 0.49 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3n1e h ALA 950 CO 0.02 0.53 0.14 0.35 0.00 0.00 0.00 179.25 180.29 3n1e h PHE 951 N 1.05 0.33 -0.15 0.00 3.57 -0.75 -1.62 116.94 119.38 3n1e h PHE 951 Ca 0.28 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.80 3n1e h PHE 951 Cb -0.09 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 3n1e h PHE 951 CO 0.00 0.28 -0.04 -0.92 -2.23 0.00 0.00 178.31 175.40 3n1e h TYR 952 N 0.29 -0.08 -0.42 0.41 5.03 -0.78 -0.57 116.97 120.86 3n1e h TYR 952 Ca 0.09 0.01 -0.14 0.00 2.58 0.00 0.00 58.73 61.27 3n1e h TYR 952 Cb 0.05 0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.38 3n1e h TYR 952 CO -0.04 -0.06 -0.28 1.79 -1.32 0.00 0.00 178.16 178.25 3n1e h THR 953 N -0.00 1.27 -0.07 1.81 1.35 -0.87 -1.29 112.91 115.11 3n1e h THR 953 Ca 0.07 -1.44 0.01 0.00 -0.55 0.00 0.00 66.41 64.50 3n1e h THR 953 Cb 0.11 1.25 -0.01 0.00 -1.73 0.00 0.00 68.15 67.77 3n1e h THR 953 CO -0.15 0.49 0.01 1.23 -0.25 0.00 0.00 175.52 176.85 3n1e h GLY 954 N 0.89 0.08 0.51 5.82 0.00 -1.17 -0.24 103.07 108.96 3n1e h GLY 954 Ca 0.09 -0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.46 3n1e h GLY 954 CO 0.07 0.00 -0.10 -0.57 0.00 0.00 0.00 176.54 175.94 3n1e h ASN 955 N 0.05 -0.33 -0.04 0.19 -0.73 -0.99 -1.93 115.58 111.80 3n1e h ASN 955 Ca 0.03 0.08 -0.00 0.00 1.87 0.00 0.00 56.30 58.28 3n1e h ASN 955 Cb 0.03 0.18 -0.00 0.00 0.27 0.00 0.00 38.32 38.79 3n1e h ASN 955 CO -0.04 -0.13 0.02 0.25 -0.37 0.00 0.00 177.43 177.15 3n1e h LEU 956 N -0.09 0.05 -0.79 0.34 6.46 -0.97 -3.06 115.31 117.25 3n1e h LEU 956 Ca 0.10 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 3n1e h LEU 956 Cb 0.24 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.16 3n1e h LEU 956 CO -0.23 0.11 0.00 1.56 -0.62 0.00 0.00 178.44 179.26 3n1e h GLN 957 N -0.02 0.00 -0.00 1.25 4.20 -0.98 -1.97 115.11 117.59 3n1e h GLN 957 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3n1e h GLN 957 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3n1e h GLN 957 CO -0.00 0.00 -0.11 0.00 -0.67 0.00 0.00 178.83 178.05 3n1e n ALA 958 N -1.92 2.61 -1.76 3.87 0.00 -0.73 -3.28 120.51 119.30 3n1e n ALA 958 Ca 0.02 -0.16 -0.40 0.00 0.00 0.00 0.00 53.44 52.90 3n1e n ALA 958 Cb 0.32 -1.39 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 3n1e n ALA 958 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3n1e s LEU 959 N -2.93 4.54 0.10 0.00 1.43 -0.74 -4.95 118.68 116.12 3n1e s LEU 959 Ca 0.16 2.24 -0.35 0.00 -1.03 0.00 0.00 54.13 55.15 3n1e s LEU 959 Cb 0.19 -3.65 -0.14 0.00 0.03 0.00 0.00 46.19 42.61 3n1e s LEU 959 CO 0.55 -0.14 1.59 0.29 0.23 0.00 0.00 176.35 178.88 3n1e n LYS 960 N 1.15 1.96 -0.11 1.70 5.02 -1.26 -1.49 118.16 125.13 3n1e n LYS 960 Ca -0.01 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 3n1e n LYS 960 Cb 0.45 -2.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.00 3n1e n LYS 960 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3n1e n GLY 961 N 3.44 1.51 0.79 0.72 0.00 -1.26 -4.92 105.19 105.46 3n1e n GLY 961 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 3n1e n GLY 961 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3n1e n LEU 962 N 0.00 2.90 -0.31 0.99 4.77 -0.56 -4.71 117.00 120.08 3n1e n LEU 962 Ca 0.00 -1.61 0.01 0.00 -0.03 0.00 0.00 56.01 54.38 3n1e n LEU 962 Cb 0.00 -0.20 0.20 0.00 -2.33 0.00 0.00 43.42 41.09 3n1e n LEU 962 CO 0.00 0.66 1.26 0.50 -1.33 0.00 0.00 177.39 178.49 3n1e h LYS 963 N 2.91 1.10 -0.53 3.23 3.64 -1.72 -2.65 116.57 122.55 3n1e h LYS 963 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3n1e h LYS 963 Cb 0.75 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3n1e h LYS 963 CO 0.00 0.73 0.00 -0.25 -2.27 0.00 0.00 179.45 177.66 3n1e n ASP 964 N -4.44 4.82 -4.72 4.20 8.00 -1.26 -4.91 116.55 118.23 3n1e n ASP 964 Ca 0.12 -2.69 -0.43 0.00 0.71 0.00 0.00 54.79 52.50 3n1e n ASP 964 Cb 0.11 -0.59 -0.02 0.00 -0.02 0.00 0.00 41.12 40.60 3n1e n ASP 964 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3n1e n LEU 965 N 0.60 4.01 -4.42 0.64 4.32 -1.00 -4.93 117.00 116.22 3n1e n LEU 965 Ca 0.25 1.13 -0.44 0.00 -0.02 0.00 0.00 56.01 56.93 3n1e n LEU 965 Cb 0.97 -1.55 -0.04 0.00 -1.62 0.00 0.00 43.42 41.18 3n1e n LEU 965 CO 0.24 0.01 0.66 -0.62 -1.22 0.00 0.00 177.39 176.46 3n1e s ASP 966 N 0.57 6.31 0.32 -1.43 -1.08 -1.26 -4.89 116.67 115.21 3n1e s ASP 966 Ca 0.67 -1.48 0.22 0.00 -0.52 0.00 0.00 52.55 51.44 3n1e s ASP 966 Cb -0.54 -2.36 0.17 0.00 -1.46 0.00 0.00 42.92 38.74 3n1e s ASP 966 CO 0.46 -1.19 1.35 -0.07 0.52 0.00 0.00 175.17 176.24 3n1e h LEU 967 N 10.44 0.00 -2.99 -1.34 3.38 -2.00 -3.48 115.31 119.32 3n1e h LEU 967 Ca -0.17 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.29 3n1e h LEU 967 Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 3n1e h LEU 967 CO 1.11 0.06 -0.95 -3.20 0.09 0.00 0.00 178.44 175.55 3n1e n ASN 968 N -2.94 -3.22 0.24 -0.43 4.05 -1.26 -4.85 115.26 106.86 3n1e n ASN 968 Ca 0.02 -1.12 0.10 0.00 0.45 0.00 0.00 54.58 54.03 3n1e n ASN 968 Cb 0.57 -2.68 0.62 0.00 1.23 0.00 0.00 39.78 39.52 3n1e n ASN 968 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 177.26 174.45 3n1e h MET 969 N -2.08 0.00 -0.10 1.20 2.86 -2.01 -2.81 114.93 111.98 3n1e h MET 969 Ca -0.67 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.00 3n1e h MET 969 Cb 1.38 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.04 3n1e h MET 969 CO 0.55 0.17 0.16 0.00 1.06 0.00 0.00 176.91 178.85 3n1e h ALA 970 N 1.83 1.54 -0.76 6.32 0.00 -2.04 -2.02 119.26 124.14 3n1e h ALA 970 Ca -0.00 -0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.12 3n1e h ALA 970 Cb 0.39 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3n1e h ALA 970 CO 0.02 -0.21 0.57 1.49 0.00 0.00 0.00 179.25 181.11 3n1e h GLU 971 N 0.00 0.00 0.00 0.00 4.81 -1.87 -2.54 114.58 114.98 3n1e h GLU 971 Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3n1e h GLU 971 Cb 0.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.75 3n1e h GLU 971 CO -0.00 0.00 0.00 0.44 -0.73 0.00 0.00 179.01 178.72 3n1e n ILE 972 N -4.22 0.92 0.99 2.32 -5.35 -0.76 -1.88 119.36 111.37 3n1e n ILE 972 Ca 0.15 0.45 0.12 0.00 -0.27 0.00 0.00 62.75 63.21 3n1e n ILE 972 Cb 0.85 -1.42 0.14 0.00 -1.74 0.00 0.00 39.64 37.47 3n1e n ILE 972 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3n1e n TRP 973 N -2.26 0.04 0.57 4.28 7.02 -0.96 -4.60 117.44 121.53 3n1e n TRP 973 Ca 0.01 -0.02 0.05 0.00 -1.02 0.00 0.00 57.50 56.51 3n1e n TRP 973 Cb 0.14 0.00 0.27 0.00 -2.42 0.00 0.00 31.31 29.31 3n1e n TRP 973 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06