#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qwn s ASP 813 N 0.00 5.11 0.21 3.17 3.68 -1.26 -5.00 116.67 122.58 2qwn s ASP 813 Ca 0.00 -1.57 -0.09 0.00 2.13 0.00 0.00 52.55 53.02 2qwn s ASP 813 Cb 0.00 -1.79 0.15 0.00 -1.45 0.00 0.00 42.92 39.84 2qwn s ASP 813 CO 0.00 -0.39 1.80 -0.65 0.13 0.00 0.00 175.17 176.06 2qwn h PRO 814 N 8.05 1.11 -0.06 4.34 0.11 -2.06 0.11 132.00 143.60 2qwn h PRO 814 Ca -0.18 -0.16 -0.10 0.00 0.11 0.00 0.00 66.00 65.67 2qwn h PRO 814 Cb 1.06 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 2qwn h PRO 814 CO 0.61 0.85 -0.41 0.93 -0.21 0.00 0.00 178.00 179.78 2qwn h GLU 815 N 1.09 0.14 -0.12 1.05 5.08 -2.00 -2.09 114.58 117.73 2qwn h GLU 815 Ca 0.27 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 2qwn h GLU 815 Cb 0.11 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2qwn h GLU 815 CO -0.03 0.53 -0.11 -0.22 -1.00 0.00 0.00 179.01 178.17 2qwn h LYS 816 N 0.11 0.28 -0.59 2.33 3.64 -1.88 -3.08 116.57 117.39 2qwn h LYS 816 Ca 0.01 -0.15 0.07 0.00 -1.27 0.00 0.00 60.65 59.31 2qwn h LYS 816 Cb 0.78 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.57 2qwn h LYS 816 CO 0.06 0.68 0.39 -0.07 -2.27 0.00 0.00 179.45 178.24 2qwn h LEU 817 N -0.10 0.46 -0.41 5.20 4.07 -0.61 0.14 115.31 124.07 2qwn h LEU 817 Ca 0.02 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.81 2qwn h LEU 817 Cb 0.63 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.27 2qwn h LEU 817 CO 0.03 0.30 -0.57 0.50 -1.08 0.00 0.00 178.44 177.61 2qwn h LYS 818 N 0.52 0.69 -0.18 1.13 3.64 -1.44 -1.41 116.57 119.52 2qwn h LYS 818 Ca 0.26 -0.45 -0.16 0.00 -1.27 0.00 0.00 60.65 59.03 2qwn h LYS 818 Cb 0.35 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2qwn h LYS 818 CO -0.08 1.07 -0.51 0.82 -2.27 0.00 0.00 179.45 178.48 2qwn h ILE 819 N 0.52 1.32 -0.66 2.00 2.04 -1.28 -0.76 117.51 120.70 2qwn h ILE 819 Ca 0.01 -1.75 0.11 0.00 1.00 0.00 0.00 64.86 64.23 2qwn h ILE 819 Cb 1.15 1.93 -0.08 0.00 -0.74 0.00 0.00 36.82 39.07 2qwn h ILE 819 CO 0.12 0.54 0.25 -0.07 0.00 0.00 0.00 178.15 178.99 2qwn h LEU 820 N 0.36 0.23 -0.30 1.44 3.38 -0.76 -0.23 115.31 119.43 2qwn h LEU 820 Ca -0.01 0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 2qwn h LEU 820 Cb 1.13 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 2qwn h LEU 820 CO 0.11 0.12 -0.29 -0.33 0.09 0.00 0.00 178.44 178.14 2qwn h GLU 821 N 0.42 0.73 0.13 1.13 5.08 -1.15 -2.63 114.58 118.28 2qwn h GLU 821 Ca 0.34 -0.38 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2qwn h GLU 821 Cb 0.46 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 2qwn h GLU 821 CO -0.34 1.00 -0.28 2.35 -1.00 0.00 0.00 179.01 180.74 2qwn h TRP 822 N 0.48 -0.75 -0.50 4.33 7.01 -1.02 -2.25 115.95 123.25 2qwn h TRP 822 Ca 0.05 0.02 0.10 0.00 2.11 0.00 0.00 58.89 61.16 2qwn h TRP 822 Cb 0.86 0.31 -0.09 0.00 -2.10 0.00 0.00 29.16 28.14 2qwn h TRP 822 CO 0.07 -0.38 -0.10 0.82 -2.79 0.00 0.00 178.44 176.06 2qwn h ILE 823 N -0.50 0.52 0.00 2.65 2.04 -0.97 -2.86 117.51 118.39 2qwn h ILE 823 Ca 0.03 -0.01 -0.09 0.00 1.00 0.00 0.00 64.86 65.79 2qwn h ILE 823 Cb 0.52 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2qwn h ILE 823 CO -0.15 0.00 -0.48 1.05 0.00 0.00 0.00 178.15 178.57 2qwn h GLU 824 N 0.02 0.00 0.00 2.37 4.11 -1.42 -3.20 114.58 116.47 2qwn h GLU 824 Ca 0.24 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.57 2qwn h GLU 824 Cb 0.37 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2qwn h GLU 824 CO -0.50 0.39 -0.51 0.78 0.07 0.00 0.00 179.01 179.24 2qwn h GLY 825 N 3.61 0.00 -0.01 1.06 0.00 -1.18 -3.26 103.07 103.29 2qwn h GLY 825 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2qwn h GLY 825 CO 0.05 0.00 -0.57 0.28 0.00 0.00 0.00 176.54 176.30 2qwn n LYS 826 N -3.66 0.54 -3.85 4.80 4.76 -1.14 -4.99 118.16 114.61 2qwn n LYS 826 Ca -0.01 -0.39 -0.29 0.00 -2.87 0.00 0.00 58.31 54.75 2qwn n LYS 826 Cb 0.57 -1.49 0.04 0.00 -1.84 0.00 0.00 35.03 32.31 2qwn n LYS 826 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2qwn n GLU 827 N -0.89 -5.88 -2.51 1.97 -0.58 -1.23 -0.88 120.64 110.65 2qwn n GLU 827 Ca 0.08 0.64 -0.20 0.00 -0.42 0.00 0.00 57.16 57.25 2qwn n GLU 827 Cb 0.37 -5.53 -0.00 0.00 -0.57 0.00 0.00 31.44 25.71 2qwn n GLU 827 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2qwn n ARG 828 N -4.70 -2.22 -2.86 3.49 5.12 -1.26 -4.96 116.66 109.26 2qwn n ARG 828 Ca 0.01 0.93 -0.43 0.00 -1.93 0.00 0.00 57.85 56.43 2qwn n ARG 828 Cb 0.54 -5.62 -0.04 0.00 -1.16 0.00 0.00 32.46 26.18 2qwn n ARG 828 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 2qwn s ASN 829 N -2.15 6.49 0.17 0.55 2.47 -0.06 -4.74 114.94 117.67 2qwn s ASN 829 Ca 0.05 0.09 -0.14 0.00 0.42 0.00 0.00 52.86 53.28 2qwn s ASN 829 Cb -0.02 -2.43 0.10 0.00 -1.45 0.00 0.00 41.25 37.45 2qwn s ASN 829 CO 0.06 -0.99 1.80 -0.29 -3.72 0.00 0.00 177.10 173.95 2qwn h ILE 830 N 6.03 1.00 -0.69 -5.21 6.09 -1.88 -1.15 117.51 121.69 2qwn h ILE 830 Ca -0.24 -0.18 -0.02 0.00 -1.37 0.00 0.00 64.86 63.05 2qwn h ILE 830 Cb 1.08 0.44 -0.03 0.00 0.47 0.00 0.00 36.82 38.77 2qwn h ILE 830 CO 1.00 0.10 0.34 0.03 -3.07 0.00 0.00 178.15 176.55 2qwn h ARG 831 N 0.52 0.99 -0.84 2.19 3.08 -1.94 -0.19 114.38 118.20 2qwn h ARG 831 Ca 0.20 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 2qwn h ARG 831 Cb 0.07 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 2qwn h ARG 831 CO -0.12 0.78 0.40 0.00 -1.07 0.00 0.00 179.97 179.96 2qwn h ALA 832 N 1.16 1.08 0.01 0.04 0.00 -1.77 -1.28 119.26 118.51 2qwn h ALA 832 Ca 0.24 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2qwn h ALA 832 Cb 0.11 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2qwn h ALA 832 CO -0.03 0.65 -0.00 -0.07 0.00 0.00 0.00 179.25 179.80 2qwn h LEU 833 N 1.20 -0.01 -1.33 0.00 3.38 -0.98 -3.14 115.31 114.43 2qwn h LEU 833 Ca 0.29 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2qwn h LEU 833 Cb 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2qwn h LEU 833 CO -0.03 0.45 0.41 -0.07 0.09 0.00 0.00 178.44 179.29 2qwn h LEU 834 N -0.48 0.75 0.00 1.67 3.38 -0.98 -1.12 115.31 118.54 2qwn h LEU 834 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2qwn h LEU 834 Cb 0.47 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2qwn h LEU 834 CO 0.00 0.56 0.00 -1.54 0.09 0.00 0.00 178.44 177.55 2qwn n SER 835 N -4.42 0.00 -0.02 -0.43 3.41 -0.49 -3.47 113.62 108.19 2qwn n SER 835 Ca 0.07 -0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 2qwn n SER 835 Cb 0.05 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 2qwn n SER 835 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2qwn n THR 836 N -1.20 0.29 0.24 6.66 -2.24 -0.87 -4.69 114.28 112.47 2qwn n THR 836 Ca 0.17 -0.30 0.08 0.00 -2.27 0.00 0.00 64.05 61.73 2qwn n THR 836 Cb 0.19 0.83 0.57 0.00 -2.10 0.00 0.00 70.33 69.83 2qwn n THR 836 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 2qwn h MET 837 N 0.00 0.00 0.00 -0.78 -1.53 -1.26 -2.31 114.93 109.05 2qwn h MET 837 Ca 0.00 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.25 2qwn h MET 837 Cb 0.88 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.93 2qwn h MET 837 CO 0.00 0.17 -0.07 1.12 0.14 0.00 0.00 176.91 178.28 2qwn h HIS 838 N 0.00 0.00 -0.00 1.39 2.07 -1.88 -2.19 115.15 114.54 2qwn h HIS 838 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2qwn h HIS 838 Cb 0.35 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.33 2qwn h HIS 838 CO 0.00 0.07 -0.02 0.25 -3.07 0.00 0.00 177.93 175.15 2qwn n THR 839 N -3.34 0.00 -0.14 6.12 -2.24 -0.87 -3.80 114.28 110.01 2qwn n THR 839 Ca -0.01 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2qwn n THR 839 Cb 0.23 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 2qwn n THR 839 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2qwn n VAL 840 N -0.99 0.00 -1.89 2.28 0.24 -0.87 -5.05 118.33 112.05 2qwn n VAL 840 Ca 0.19 -0.37 -0.37 0.00 -2.04 0.00 0.00 64.34 61.75 2qwn n VAL 840 Cb 0.20 1.14 0.04 0.00 -1.47 0.00 0.00 33.84 33.76 2qwn n VAL 840 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2qwn s LEU 841 N -0.72 3.69 0.60 1.34 1.43 -0.94 -4.92 118.68 119.15 2qwn s LEU 841 Ca 0.00 2.54 -0.19 0.00 -1.03 0.00 0.00 54.13 55.45 2qwn s LEU 841 Cb 0.00 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.65 2qwn s LEU 841 CO 0.00 -1.70 1.09 -2.67 0.23 0.00 0.00 176.35 173.30 2qwn n TRP 842 N -1.54 1.29 -1.78 0.29 2.14 -1.26 -4.94 117.44 111.64 2qwn n TRP 842 Ca 0.13 0.44 -0.42 0.00 2.07 0.00 0.00 57.50 59.72 2qwn n TRP 842 Cb 0.48 -2.20 -0.03 0.00 -0.81 0.00 0.00 31.31 28.75 2qwn n TRP 842 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2qwn s ALA 843 N -1.44 3.87 0.00 -1.67 0.00 -1.26 -2.36 121.76 118.90 2qwn s ALA 843 Ca 0.76 1.51 0.00 0.00 0.00 0.00 0.00 51.96 54.23 2qwn s ALA 843 Cb -0.42 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.01 2qwn s ALA 843 CO 0.46 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.68 2qwn n GLY 844 N 3.98 1.34 3.70 0.00 0.00 -1.26 -5.08 105.19 107.86 2qwn n GLY 844 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2qwn n GLY 844 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qwn s GLU 845 N -0.03 4.24 0.00 1.61 -6.30 -1.00 -4.90 118.70 112.33 2qwn s GLU 845 Ca 0.00 2.21 0.00 0.00 -2.50 0.00 0.00 54.97 54.68 2qwn s GLU 845 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 34.13 30.69 2qwn s GLU 845 CO 0.00 -0.62 0.00 0.25 0.02 0.00 0.00 175.26 174.91 2qwn n THR 846 N 4.41 0.00 0.04 -1.70 -2.24 -1.26 -4.83 114.28 108.70 2qwn n THR 846 Ca 0.14 -0.29 -0.20 0.00 -2.27 0.00 0.00 64.05 61.43 2qwn n THR 846 Cb 0.41 0.97 -0.14 0.00 -2.10 0.00 0.00 70.33 69.46 2qwn n THR 846 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2qwn h LYS 847 N 0.00 0.29 -6.50 -0.78 1.57 -2.02 -3.45 116.57 105.68 2qwn h LYS 847 Ca 0.00 -0.50 -0.57 0.00 -1.87 0.00 0.00 60.65 57.72 2qwn h LYS 847 Cb 0.00 0.18 -0.06 0.00 0.08 0.00 0.00 32.23 32.44 2qwn h LYS 847 CO 0.00 1.18 0.99 -0.46 -0.57 0.00 0.00 179.45 180.58 2qwn s TRP 848 N -2.58 2.65 -0.07 -1.35 -0.11 -1.26 -5.01 118.94 111.20 2qwn s TRP 848 Ca -0.16 0.79 -0.22 0.00 1.22 0.00 0.00 56.10 57.73 2qwn s TRP 848 Cb 0.06 -4.16 -0.04 0.00 -1.50 0.00 0.00 33.47 27.84 2qwn s TRP 848 CO 0.82 -1.64 0.63 0.15 -4.62 0.00 0.00 176.95 172.30 2qwn s LYS 849 N 4.47 4.40 0.37 5.86 3.01 -1.26 -5.00 119.74 131.60 2qwn s LYS 849 Ca 0.55 0.75 -0.28 0.00 -1.01 0.00 0.00 55.97 55.98 2qwn s LYS 849 Cb -0.13 -3.43 -0.11 0.00 -1.01 0.00 0.00 37.83 33.15 2qwn s LYS 849 CO 0.28 0.13 1.49 -2.14 0.51 0.00 0.00 175.35 175.61 2qwn s PRO 850 N 0.63 4.11 -0.13 -1.68 0.02 -1.26 -5.01 135.00 131.68 2qwn s PRO 850 Ca 0.34 2.57 -0.06 0.00 0.02 0.00 0.00 61.00 63.86 2qwn s PRO 850 Cb -0.17 -2.97 -0.04 0.00 0.02 0.00 0.00 34.50 31.34 2qwn s PRO 850 CO 0.16 -0.53 0.10 0.14 -0.33 0.00 0.00 177.00 176.54 2qwn s VAL 851 N -1.09 5.15 0.10 3.83 -7.23 -1.26 -5.12 120.40 114.79 2qwn s VAL 851 Ca 0.53 0.08 -0.03 0.00 -1.81 0.00 0.00 61.98 60.75 2qwn s VAL 851 Cb -0.46 -3.26 -0.05 0.00 0.56 0.00 0.00 36.38 33.17 2qwn s VAL 851 CO 0.63 0.57 0.30 -0.83 -0.31 0.00 0.00 175.10 175.46 2qwn s GLY 852 N -0.63 2.22 0.46 2.32 0.00 -1.26 -4.48 107.32 105.96 2qwn s GLY 852 Ca 0.12 -0.67 0.36 0.00 0.00 0.00 0.00 44.72 44.53 2qwn s GLY 852 CO 0.02 -0.61 1.56 1.03 0.00 0.00 0.00 173.10 175.10 2qwn n MET 853 N 0.23 -0.03 0.09 2.90 2.81 -1.26 -0.82 117.12 121.05 2qwn n MET 853 Ca -0.04 1.21 0.18 0.00 -1.81 0.00 0.00 57.70 57.24 2qwn n MET 853 Cb 0.51 -2.47 0.72 0.00 -0.71 0.00 0.00 33.22 31.27 2qwn n MET 853 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2qwn h ALA 854 N 1.46 2.23 -0.75 3.04 0.00 -2.02 0.22 119.26 123.43 2qwn h ALA 854 Ca 0.89 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 55.49 2qwn h ALA 854 Cb 3.04 0.03 -0.18 0.00 0.00 0.00 0.00 17.79 20.68 2qwn h ALA 854 CO -0.37 -0.47 0.34 -0.25 0.00 0.00 0.00 179.25 178.50 2qwn n ASP 855 N -4.22 4.14 -0.18 0.00 8.00 -0.00 -4.30 116.55 119.98 2qwn n ASP 855 Ca 0.06 -3.41 0.01 0.00 0.71 0.00 0.00 54.79 52.16 2qwn n ASP 855 Cb 0.46 -0.75 0.02 0.00 -0.02 0.00 0.00 41.12 40.83 2qwn n ASP 855 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2qwn n LEU 856 N -0.63 0.53 0.28 0.64 4.77 0.77 -4.60 117.00 118.76 2qwn n LEU 856 Ca 0.45 -0.96 -0.12 0.00 -0.03 0.00 0.00 56.01 55.36 2qwn n LEU 856 Cb 1.42 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 42.40 2qwn n LEU 856 CO 0.45 0.23 0.34 0.58 -1.33 0.00 0.00 177.39 177.66 2qwn h VAL 857 N 3.66 0.00 -4.13 4.08 2.07 -1.73 -3.42 116.25 116.78 2qwn h VAL 857 Ca 0.00 -0.31 -0.49 0.00 0.82 0.00 0.00 66.70 66.72 2qwn h VAL 857 Cb 1.07 0.00 0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2qwn h VAL 857 CO 0.00 0.00 0.33 0.42 0.02 0.00 0.00 177.57 178.34 2qwn s THR 858 N -4.10 4.67 0.34 2.57 -4.23 -1.26 -4.92 115.64 108.70 2qwn s THR 858 Ca -0.11 0.92 0.05 0.00 -1.18 0.00 0.00 61.69 61.36 2qwn s THR 858 Cb 0.01 -3.79 0.29 0.00 1.34 0.00 0.00 72.50 70.36 2qwn s THR 858 CO 0.33 -0.85 1.92 -0.65 -0.54 0.00 0.00 174.62 174.83 2qwn h PRO 859 N 0.45 0.82 -0.12 3.99 0.11 -1.99 -1.82 132.00 133.44 2qwn h PRO 859 Ca -0.46 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.64 2qwn h PRO 859 Cb 1.19 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.07 2qwn h PRO 859 CO 0.62 0.54 -0.15 0.93 -0.21 0.00 0.00 178.00 179.74 2qwn h GLU 860 N 0.85 -0.18 0.13 1.05 3.07 -1.98 0.27 114.58 117.79 2qwn h GLU 860 Ca 0.37 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.27 2qwn h GLU 860 Cb 0.34 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.25 2qwn h GLU 860 CO -0.14 -0.12 -0.37 1.96 -1.40 0.00 0.00 179.01 178.94 2qwn h GLN 861 N -0.18 -0.58 -0.71 2.33 4.20 -1.81 0.53 115.11 118.88 2qwn h GLN 861 Ca 0.09 0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.91 2qwn h GLN 861 Cb 0.31 0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.17 2qwn h GLN 861 CO -0.23 -0.39 0.39 0.28 -0.67 0.00 0.00 178.83 178.21 2qwn h VAL 862 N -0.60 0.94 0.01 -0.54 2.07 -1.05 -0.85 116.25 116.23 2qwn h VAL 862 Ca 0.03 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.32 2qwn h VAL 862 Cb 0.63 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2qwn h VAL 862 CO -0.21 0.13 -0.09 0.50 0.02 0.00 0.00 177.57 177.92 2qwn h LYS 863 N 0.70 -0.16 -0.71 1.57 3.64 -0.26 -1.80 116.57 119.55 2qwn h LYS 863 Ca 0.33 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.83 2qwn h LYS 863 Cb 0.25 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.02 2qwn h LYS 863 CO -0.21 -0.11 0.31 -0.22 -2.27 0.00 0.00 179.45 176.96 2qwn h LYS 864 N -0.16 0.50 0.13 1.90 3.64 0.25 -2.58 116.57 120.23 2qwn h LYS 864 Ca 0.03 -0.03 -0.28 0.00 -1.27 0.00 0.00 60.65 59.11 2qwn h LYS 864 Cb 0.20 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2qwn h LYS 864 CO -0.09 0.33 -1.23 0.28 -2.27 0.00 0.00 179.45 176.47 2qwn h VAL 865 N 0.51 1.45 -0.22 2.00 2.07 -1.12 -3.05 116.25 117.89 2qwn h VAL 865 Ca 0.37 -2.91 -0.01 0.00 0.82 0.00 0.00 66.70 64.97 2qwn h VAL 865 Cb 0.46 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 33.10 2qwn h VAL 865 CO -0.32 0.86 0.11 0.22 0.02 0.00 0.00 177.57 178.45 2qwn h TYR 866 N 0.11 0.32 -0.91 1.57 3.20 -1.17 0.51 116.97 120.60 2qwn h TYR 866 Ca -0.14 -0.01 0.16 0.00 3.14 0.00 0.00 58.73 61.87 2qwn h TYR 866 Cb 1.94 -0.10 -0.07 0.00 1.54 0.00 0.00 36.73 40.03 2qwn h TYR 866 CO 0.07 0.32 0.59 0.00 -1.64 0.00 0.00 178.16 177.50 2qwn h ARG 867 N 0.23 0.64 -0.22 1.82 3.08 -1.54 0.13 114.38 118.51 2qwn h ARG 867 Ca 0.08 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 2qwn h ARG 867 Cb 0.11 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2qwn h ARG 867 CO -0.01 0.42 -0.06 0.87 -1.07 0.00 0.00 179.97 180.13 2qwn h LYS 868 N 0.66 0.43 -0.47 0.04 1.79 -1.25 -2.85 116.57 114.91 2qwn h LYS 868 Ca 0.47 -0.17 -0.04 0.00 -2.18 0.00 0.00 60.65 58.74 2qwn h LYS 868 Cb 0.82 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.42 2qwn h LYS 868 CO -0.22 0.67 0.16 0.00 -1.08 0.00 0.00 179.45 178.97 2qwn h ALA 869 N 0.75 0.62 -0.89 3.86 0.00 -0.15 -2.75 119.26 120.71 2qwn h ALA 869 Ca 0.06 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2qwn h ALA 869 Cb 0.51 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 2qwn h ALA 869 CO 0.02 0.27 0.59 0.28 0.00 0.00 0.00 179.25 180.40 2qwn h VAL 870 N 0.63 1.20 -0.50 0.00 2.07 -0.83 -2.40 116.25 116.42 2qwn h VAL 870 Ca 0.15 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 2qwn h VAL 870 Cb 0.26 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 2qwn h VAL 870 CO -0.01 0.21 0.30 -0.07 0.02 0.00 0.00 177.57 178.02 2qwn h LEU 871 N 1.16 0.60 0.26 2.57 -0.00 -1.24 -1.58 115.31 117.09 2qwn h LEU 871 Ca 0.34 -0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 58.15 2qwn h LEU 871 Cb -0.07 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 40.43 2qwn h LEU 871 CO -0.09 0.48 -0.15 0.58 -0.00 0.00 0.00 178.44 179.26 2qwn h VAL 872 N 0.66 0.69 -0.48 1.22 2.07 -1.27 -3.16 116.25 115.97 2qwn h VAL 872 Ca 0.18 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.70 2qwn h VAL 872 Cb -0.01 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2qwn h VAL 872 CO -0.03 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.89 2qwn n VAL 873 N -5.27 0.88 -1.71 2.57 0.24 -0.94 -4.92 118.33 109.19 2qwn n VAL 873 Ca -0.09 -0.72 -0.43 0.00 -2.04 0.00 0.00 64.34 61.05 2qwn n VAL 873 Cb 0.19 0.21 -0.03 0.00 -1.47 0.00 0.00 33.84 32.74 2qwn n VAL 873 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 2qwn n HIS 874 N 0.87 2.55 0.23 6.34 -0.00 -0.60 -4.23 115.22 120.39 2qwn n HIS 874 Ca 0.17 0.26 0.06 0.00 -0.00 0.00 0.00 57.72 58.21 2qwn n HIS 874 Cb 0.51 -2.57 0.54 0.00 -0.00 0.00 0.00 29.99 28.47 2qwn n HIS 874 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2qwn h PRO 875 N 5.28 0.00 0.38 1.57 0.11 -1.88 -2.75 132.00 134.70 2qwn h PRO 875 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 2qwn h PRO 875 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2qwn h PRO 875 CO 0.84 0.14 -0.18 0.00 -0.21 0.00 0.00 178.00 178.59 2qwn h LYS 877 N -0.54 0.88 0.00 0.00 6.56 -1.93 -2.98 116.57 118.56 2qwn h LYS 877 Ca -0.05 -0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.45 2qwn h LYS 877 Cb 0.41 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 31.89 2qwn h LYS 877 CO 0.09 0.64 0.00 0.00 -2.06 0.00 0.00 179.45 178.12 2qwn n ALA 878 N -2.44 2.38 -1.93 3.86 0.00 -1.05 -4.86 120.51 116.48 2qwn n ALA 878 Ca 0.06 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 2qwn n ALA 878 Cb 0.10 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.10 2qwn n ALA 878 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2qwn s THR 879 N -2.28 2.82 0.00 0.00 2.01 -1.05 -2.37 115.64 114.78 2qwn s THR 879 Ca 0.32 0.46 0.00 0.00 0.31 0.00 0.00 61.69 62.78 2qwn s THR 879 Cb 0.18 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.39 2qwn s THR 879 CO 0.35 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.90 2qwn n GLY 880 N 3.87 0.57 3.94 4.40 0.00 -1.26 -5.03 105.19 111.67 2qwn n GLY 880 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 2qwn n GLY 880 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qwn s GLN 881 N -0.09 3.43 0.32 1.61 -1.52 -1.00 -4.99 119.66 117.42 2qwn s GLN 881 Ca 0.00 -0.56 0.25 0.00 -1.95 0.00 0.00 55.36 53.10 2qwn s GLN 881 Cb 0.00 -2.98 1.12 0.00 -0.22 0.00 0.00 33.01 30.93 2qwn s GLN 881 CO 0.00 0.55 1.75 -1.35 -0.25 0.00 0.00 175.29 175.98 2qwn h PRO 882 N 2.40 0.00 -0.48 2.91 0.11 -1.96 -2.34 132.00 132.63 2qwn h PRO 882 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2qwn h PRO 882 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2qwn h PRO 882 CO 0.71 0.00 0.00 2.48 -0.21 0.00 0.00 178.00 180.98 2qwn n TYR 883 N -2.35 0.71 -0.20 0.65 0.18 -1.26 -4.71 117.16 110.18 2qwn n TYR 883 Ca 0.01 -0.52 -0.02 0.00 1.88 0.00 0.00 57.90 59.25 2qwn n TYR 883 Cb 0.18 -0.05 0.05 0.00 -0.38 0.00 0.00 39.34 39.14 2qwn n TYR 883 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 2qwn h GLU 884 N 2.85 -0.04 -0.82 -3.48 4.81 -1.54 -1.41 114.58 114.95 2qwn h GLU 884 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2qwn h GLU 884 Cb 0.89 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.24 2qwn h GLU 884 CO 0.02 -0.03 0.52 0.37 -0.73 0.00 0.00 179.01 179.17 2qwn h GLN 885 N -0.04 1.10 -0.04 1.92 4.15 -1.84 -2.58 115.11 117.78 2qwn h GLN 885 Ca 0.28 -0.08 -0.24 0.00 0.77 0.00 0.00 58.65 59.38 2qwn h GLN 885 Cb 0.47 -0.24 0.02 0.00 0.21 0.00 0.00 27.48 27.94 2qwn h GLN 885 CO -0.63 0.75 -0.91 1.88 -1.93 0.00 0.00 178.83 177.99 2qwn h TYR 886 N 1.13 0.99 -0.58 3.99 0.99 -1.75 -2.43 116.97 119.31 2qwn h TYR 886 Ca 0.30 -0.51 0.08 0.00 2.00 0.00 0.00 58.73 60.60 2qwn h TYR 886 Cb -0.09 -0.12 -0.07 0.00 1.00 0.00 0.00 36.73 37.45 2qwn h TYR 886 CO 0.00 1.34 0.23 0.00 -0.00 0.00 0.00 178.16 179.73 2qwn h ALA 887 N 0.43 0.74 -0.28 3.88 0.00 -1.12 -1.63 119.26 121.27 2qwn h ALA 887 Ca -0.10 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2qwn h ALA 887 Cb 1.56 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 2qwn h ALA 887 CO 0.18 -0.18 -0.32 0.87 0.00 0.00 0.00 179.25 179.80 2qwn h LYS 888 N 0.42 0.60 -0.82 0.00 1.57 -1.48 -0.42 116.57 116.43 2qwn h LYS 888 Ca 0.29 -0.27 0.05 0.00 -1.87 0.00 0.00 60.65 58.85 2qwn h LYS 888 Cb 0.33 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.57 2qwn h LYS 888 CO -0.28 0.85 0.51 0.52 -0.57 0.00 0.00 179.45 180.48 2qwn h MET 889 N 0.51 0.92 0.12 3.15 2.86 -1.05 -1.76 114.93 119.68 2qwn h MET 889 Ca 0.06 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 2qwn h MET 889 Cb 0.80 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.26 2qwn h MET 889 CO 0.07 0.61 -0.06 0.82 1.06 0.00 0.00 176.91 179.41 2qwn h ILE 890 N 0.94 0.96 -0.68 -1.22 2.04 -1.03 -2.91 117.51 115.61 2qwn h ILE 890 Ca 0.35 -1.29 0.13 0.00 1.00 0.00 0.00 64.86 65.05 2qwn h ILE 890 Cb 0.14 1.66 -0.13 0.00 -0.74 0.00 0.00 36.82 37.74 2qwn h ILE 890 CO -0.16 0.26 -0.27 0.15 0.00 0.00 0.00 178.15 178.14 2qwn h PHE 891 N -0.86 -0.68 -0.57 1.37 3.57 -1.10 0.11 116.94 118.78 2qwn h PHE 891 Ca -0.02 0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.62 2qwn h PHE 891 Cb 0.55 0.40 -0.06 0.00 2.79 0.00 0.00 35.95 39.64 2qwn h PHE 891 CO 0.11 -0.35 0.26 0.52 -2.23 0.00 0.00 178.31 176.62 2qwn h MET 892 N -0.08 0.48 -0.25 1.11 2.86 -1.40 -0.98 114.93 116.67 2qwn h MET 892 Ca 0.29 -0.03 -0.19 0.00 -2.06 0.00 0.00 59.70 57.72 2qwn h MET 892 Cb 0.55 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.10 2qwn h MET 892 CO -0.73 0.32 -0.58 1.49 1.06 0.00 0.00 176.91 178.46 2qwn h GLU 893 N 0.49 0.81 -0.82 1.72 4.57 -1.08 -2.75 114.58 117.52 2qwn h GLU 893 Ca 0.27 -0.53 0.09 0.00 -1.18 0.00 0.00 59.36 58.01 2qwn h GLU 893 Cb 0.25 0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.83 2qwn h GLU 893 CO -0.22 1.16 0.47 -0.07 -1.18 0.00 0.00 179.01 179.17 2qwn h LEU 894 N 0.61 0.68 -0.98 1.64 3.38 -0.40 -0.79 115.31 119.46 2qwn h LEU 894 Ca 0.00 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 2qwn h LEU 894 Cb 1.18 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2qwn h LEU 894 CO 0.12 0.39 -0.36 0.78 0.09 0.00 0.00 178.44 179.46 2qwn h ASN 895 N 0.79 0.29 0.67 -0.43 -0.26 -1.05 -0.87 115.58 114.72 2qwn h ASN 895 Ca 0.39 -0.11 -0.27 0.00 -0.56 0.00 0.00 56.30 55.75 2qwn h ASN 895 Cb 0.35 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.52 2qwn h ASN 895 CO -0.24 0.64 -1.30 0.44 -1.06 0.00 0.00 177.43 175.91 2qwn h ASP 896 N 0.24 0.27 -0.37 5.81 3.45 -1.18 -1.24 116.42 123.41 2qwn h ASP 896 Ca 0.03 -0.33 -0.05 0.00 0.43 0.00 0.00 57.03 57.11 2qwn h ASP 896 Cb 0.76 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.42 2qwn h ASP 896 CO 0.06 1.26 0.04 0.00 -1.57 0.00 0.00 179.24 179.04 2qwn h ALA 897 N 0.70 0.49 -0.46 3.45 0.00 -1.09 -2.04 119.26 120.30 2qwn h ALA 897 Ca -0.14 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 2qwn h ALA 897 Cb 1.94 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 2qwn h ALA 897 CO 0.16 0.21 -0.20 2.35 0.00 0.00 0.00 179.25 181.78 2qwn h TRP 898 N 0.45 1.04 -0.47 0.00 2.91 -1.17 0.46 115.95 119.17 2qwn h TRP 898 Ca 0.11 -0.24 -0.07 0.00 1.13 0.00 0.00 58.89 59.82 2qwn h TRP 898 Cb 0.39 -0.25 -0.02 0.00 -0.51 0.00 0.00 29.16 28.77 2qwn h TRP 898 CO 0.03 1.02 -0.01 0.66 -1.03 0.00 0.00 178.44 179.11 2qwn h SER 899 N 0.79 0.75 0.37 2.65 4.64 -1.22 -1.45 113.55 120.08 2qwn h SER 899 Ca 0.11 -0.18 -0.14 0.00 -0.47 0.00 0.00 61.79 61.11 2qwn h SER 899 Cb 0.75 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 2qwn h SER 899 CO 0.06 0.82 -0.57 -0.08 -0.87 0.00 0.00 176.83 176.19 2qwn h GLU 900 N 0.73 0.21 -0.61 4.77 4.81 -1.20 -1.44 114.58 121.85 2qwn h GLU 900 Ca 0.14 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 2qwn h GLU 900 Cb 0.46 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 2qwn h GLU 900 CO 0.02 0.73 0.15 0.35 -0.73 0.00 0.00 179.01 179.52 2qwn h PHE 901 N 0.16 0.98 0.00 0.92 3.57 -0.58 -3.00 116.94 119.00 2qwn h PHE 901 Ca -0.00 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.36 2qwn h PHE 901 Cb 1.05 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.51 2qwn h PHE 901 CO 0.02 0.81 -0.16 0.93 -2.23 0.00 0.00 178.31 177.68 2qwn h GLU 902 N 0.91 0.00 0.00 1.11 5.08 -1.00 -3.06 114.58 117.61 2qwn h GLU 902 Ca 0.20 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.45 2qwn h GLU 902 Cb 0.33 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2qwn h GLU 902 CO -0.00 0.16 -0.50 -0.91 -1.00 0.00 0.00 179.01 176.75 2qwn h ASN 903 N 0.00 0.00 -2.23 1.42 2.35 -1.13 -3.43 115.58 112.56 2qwn h ASN 903 Ca -0.00 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.17 2qwn h ASN 903 Cb 1.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.40 2qwn h ASN 903 CO 0.02 0.50 1.39 -1.10 -1.65 0.00 0.00 177.43 176.60 2qwn s GLN 904 N -3.67 3.34 0.00 0.81 -0.21 -1.16 -5.11 119.66 113.66 2qwn s GLN 904 Ca -0.01 1.96 0.00 0.00 0.02 0.00 0.00 55.36 57.33 2qwn s GLN 904 Cb 0.12 -4.29 0.00 0.00 1.00 0.00 0.00 33.01 29.84 2qwn s GLN 904 CO 0.73 -1.86 0.00 0.41 -2.12 0.00 0.00 175.29 172.45