#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qwp h PRO 814 N 0.00 1.17 -0.17 0.11 0.11 -2.05 -0.33 132.00 130.83 2qwp h PRO 814 Ca 0.00 -0.15 -0.14 0.00 0.11 0.00 0.00 66.00 65.82 2qwp h PRO 814 Cb 0.00 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 30.88 2qwp h PRO 814 CO 0.00 0.88 -0.49 1.49 -0.21 0.00 0.00 178.00 179.67 2qwp h GLU 815 N 1.17 0.46 -0.26 1.05 4.81 -2.00 -1.14 114.58 118.67 2qwp h GLU 815 Ca 0.29 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2qwp h GLU 815 Cb 0.08 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2qwp h GLU 815 CO -0.04 0.85 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.86 2qwp h LYS 816 N 0.37 0.46 -0.77 1.92 3.64 -1.94 -2.94 116.57 117.32 2qwp h LYS 816 Ca 0.02 -0.15 0.02 0.00 -1.27 0.00 0.00 60.65 59.26 2qwp h LYS 816 Cb 0.99 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.73 2qwp h LYS 816 CO 0.09 0.64 0.50 1.25 -2.27 0.00 0.00 179.45 179.66 2qwp h LEU 817 N 0.24 0.85 -1.10 5.20 5.85 -0.86 -0.37 115.31 125.12 2qwp h LEU 817 Ca 0.07 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.82 2qwp h LEU 817 Cb 0.44 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 2qwp h LEU 817 CO 0.02 0.61 0.61 0.50 -0.34 0.00 0.00 178.44 179.83 2qwp h LYS 818 N 1.01 1.12 -0.12 1.25 3.64 -1.20 -0.92 116.57 121.35 2qwp h LYS 818 Ca 0.29 -0.07 -0.18 0.00 -1.27 0.00 0.00 60.65 59.42 2qwp h LYS 818 Cb -0.07 -0.25 0.01 0.00 -0.41 0.00 0.00 32.23 31.51 2qwp h LYS 818 CO -0.08 0.74 -0.64 0.82 -2.27 0.00 0.00 179.45 178.02 2qwp h ILE 819 N 1.15 1.32 -0.99 2.00 2.04 -1.20 -2.20 117.51 119.63 2qwp h ILE 819 Ca 0.38 -1.90 0.05 0.00 1.00 0.00 0.00 64.86 64.38 2qwp h ILE 819 Cb 0.04 2.10 -0.06 0.00 -0.74 0.00 0.00 36.82 38.16 2qwp h ILE 819 CO -0.12 0.59 0.65 -0.07 0.00 0.00 0.00 178.15 179.20 2qwp h LEU 820 N 0.32 1.06 -0.37 1.44 3.38 -0.62 -0.57 115.31 119.96 2qwp h LEU 820 Ca -0.04 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 2qwp h LEU 820 Cb 1.28 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2qwp h LEU 820 CO 0.13 0.71 -0.31 -0.33 0.09 0.00 0.00 178.44 178.73 2qwp h GLU 821 N 1.22 0.86 0.28 1.13 5.08 -1.16 -2.21 114.58 119.78 2qwp h GLU 821 Ca 0.40 -0.43 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2qwp h GLU 821 Cb 0.06 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2qwp h GLU 821 CO -0.14 1.08 -0.21 2.35 -1.00 0.00 0.00 179.01 181.09 2qwp h TRP 822 N 0.66 -0.56 -0.45 4.33 7.01 -1.07 0.15 115.95 126.02 2qwp h TRP 822 Ca 0.06 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.13 2qwp h TRP 822 Cb 0.89 0.21 -0.05 0.00 -2.10 0.00 0.00 29.16 28.11 2qwp h TRP 822 CO 0.06 -0.32 0.14 0.82 -2.79 0.00 0.00 178.44 176.35 2qwp h ILE 823 N -0.50 0.83 0.00 2.65 2.04 -1.13 -0.99 117.51 120.41 2qwp h ILE 823 Ca -0.02 -0.10 -0.07 0.00 1.00 0.00 0.00 64.86 65.67 2qwp h ILE 823 Cb 0.44 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2qwp h ILE 823 CO -0.01 0.05 -0.35 -0.08 0.00 0.00 0.00 178.15 177.77 2qwp h GLU 824 N 0.29 0.00 -0.23 2.37 4.81 -1.34 -3.21 114.58 117.27 2qwp h GLU 824 Ca 0.21 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.27 2qwp h GLU 824 Cb 0.23 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 2qwp h GLU 824 CO -0.24 0.35 -0.55 0.78 -0.73 0.00 0.00 179.01 178.63 2qwp h GLY 825 N 1.58 0.74 0.78 1.92 0.00 0.37 -3.29 103.07 105.18 2qwp h GLY 825 Ca -0.00 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.46 2qwp h GLY 825 CO 0.05 0.78 -0.48 0.28 0.00 0.00 0.00 176.54 177.17 2qwp n LYS 826 N -3.98 0.18 -2.49 4.80 4.76 -0.86 -4.95 118.16 115.62 2qwp n LYS 826 Ca -0.04 -0.11 -0.15 0.00 -2.87 0.00 0.00 58.31 55.15 2qwp n LYS 826 Cb 0.61 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.30 2qwp n LYS 826 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2qwp n GLU 827 N -1.32 -2.26 -1.19 1.97 -0.58 -1.23 -0.96 120.64 115.08 2qwp n GLU 827 Ca 0.07 0.67 -0.07 0.00 -0.42 0.00 0.00 57.16 57.42 2qwp n GLU 827 Cb 0.34 -5.30 -0.03 0.00 -0.57 0.00 0.00 31.44 25.88 2qwp n GLU 827 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2qwp n ARG 828 N -2.92 -0.47 -2.44 3.49 0.63 -1.26 -4.98 116.66 108.71 2qwp n ARG 828 Ca -0.16 0.72 -0.42 0.00 -0.92 0.00 0.00 57.85 57.07 2qwp n ARG 828 Cb 0.62 -4.49 -0.03 0.00 0.45 0.00 0.00 32.46 29.01 2qwp n ARG 828 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2qwp s ASN 829 N -2.90 6.19 0.27 6.15 3.04 -0.13 -4.71 114.94 122.85 2qwp s ASN 829 Ca 0.00 0.20 -0.02 0.00 0.04 0.00 0.00 52.86 53.08 2qwp s ASN 829 Cb 0.00 -2.55 0.41 0.00 -1.54 0.00 0.00 41.25 37.57 2qwp s ASN 829 CO 0.00 -1.68 1.90 -0.29 -3.04 0.00 0.00 177.10 174.00 2qwp h ILE 830 N 6.31 1.13 -0.37 -5.21 6.09 -1.88 -1.12 117.51 122.46 2qwp h ILE 830 Ca -0.26 -0.41 -0.00 0.00 -1.37 0.00 0.00 64.86 62.82 2qwp h ILE 830 Cb 1.08 -0.16 -0.02 0.00 0.47 0.00 0.00 36.82 38.19 2qwp h ILE 830 CO 1.19 0.22 0.22 0.03 -3.07 0.00 0.00 178.15 176.73 2qwp h ARG 831 N 1.18 0.50 -0.73 2.19 3.08 -1.94 -0.84 114.38 117.83 2qwp h ARG 831 Ca 0.40 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.37 2qwp h ARG 831 Cb 0.09 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 2qwp h ARG 831 CO -0.14 0.39 0.34 0.00 -1.07 0.00 0.00 179.97 179.49 2qwp h ALA 832 N 1.09 1.22 0.12 0.04 0.00 -1.71 -1.55 119.26 118.46 2qwp h ALA 832 Ca 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2qwp h ALA 832 Cb 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2qwp h ALA 832 CO -0.02 0.59 -0.06 -0.07 0.00 0.00 0.00 179.25 179.69 2qwp h LEU 833 N 1.04 -0.13 -0.79 0.00 3.38 -0.93 -3.07 115.31 114.82 2qwp h LEU 833 Ca 0.25 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2qwp h LEU 833 Cb 0.12 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2qwp h LEU 833 CO -0.03 0.17 0.08 -0.07 0.09 0.00 0.00 178.44 178.68 2qwp h LEU 834 N -0.45 0.95 -0.62 1.67 3.38 -1.04 -1.87 115.31 117.33 2qwp h LEU 834 Ca -0.02 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2qwp h LEU 834 Cb 0.37 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2qwp h LEU 834 CO 0.03 0.96 0.00 -1.54 0.09 0.00 0.00 178.44 177.98 2qwp n SER 835 N -4.22 0.61 -0.02 -0.43 3.41 -0.60 -3.08 113.62 109.30 2qwp n SER 835 Ca 0.04 0.65 0.01 0.00 -0.26 0.00 0.00 58.87 59.31 2qwp n SER 835 Cb 0.29 -0.78 0.02 0.00 -0.26 0.00 0.00 64.21 63.48 2qwp n SER 835 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2qwp n THR 836 N -2.18 0.92 0.22 6.66 -2.24 -0.97 -4.54 114.28 112.15 2qwp n THR 836 Ca 0.02 -0.96 0.06 0.00 -2.27 0.00 0.00 64.05 60.91 2qwp n THR 836 Cb 0.23 0.49 0.50 0.00 -2.10 0.00 0.00 70.33 69.45 2qwp n THR 836 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 2qwp h MET 837 N 0.00 0.00 -0.23 -0.78 -1.53 -1.28 -1.69 114.93 109.43 2qwp h MET 837 Ca 0.00 0.00 0.07 0.00 -3.44 0.00 0.00 59.70 56.33 2qwp h MET 837 Cb 0.66 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.70 2qwp h MET 837 CO 0.00 0.25 0.22 1.12 0.14 0.00 0.00 176.91 178.64 2qwp h HIS 838 N 0.00 0.00 0.00 1.39 2.07 -1.87 -1.73 115.15 115.01 2qwp h HIS 838 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2qwp h HIS 838 Cb 0.50 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.48 2qwp h HIS 838 CO 0.00 0.00 0.00 0.25 -3.07 0.00 0.00 177.93 175.11 2qwp n THR 839 N -3.97 0.52 0.18 6.12 -2.24 -0.63 -3.67 114.28 110.58 2qwp n THR 839 Ca 0.03 -0.06 0.02 0.00 -2.27 0.00 0.00 64.05 61.76 2qwp n THR 839 Cb 0.35 -0.71 -0.02 0.00 -2.10 0.00 0.00 70.33 67.86 2qwp n THR 839 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2qwp n VAL 840 N -1.98 0.00 -1.61 2.28 0.24 -0.68 -5.04 118.33 111.54 2qwp n VAL 840 Ca 0.05 -0.42 -0.34 0.00 -2.04 0.00 0.00 64.34 61.60 2qwp n VAL 840 Cb 0.34 1.01 0.07 0.00 -1.47 0.00 0.00 33.84 33.79 2qwp n VAL 840 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2qwp s LEU 841 N -2.02 3.36 0.67 1.34 1.43 -1.04 -4.93 118.68 117.49 2qwp s LEU 841 Ca 0.02 2.16 -0.14 0.00 -1.03 0.00 0.00 54.13 55.13 2qwp s LEU 841 Cb 0.03 -4.57 0.01 0.00 0.03 0.00 0.00 46.19 41.69 2qwp s LEU 841 CO 0.15 -1.92 1.11 -1.66 0.23 0.00 0.00 176.35 174.26 2qwp s TRP 842 N -2.18 2.63 0.22 0.29 -2.14 -1.26 -4.98 118.94 111.52 2qwp s TRP 842 Ca 0.70 1.55 -0.30 0.00 2.66 0.00 0.00 56.10 60.71 2qwp s TRP 842 Cb -0.24 -3.14 -0.09 0.00 -3.10 0.00 0.00 33.47 26.89 2qwp s TRP 842 CO 0.43 -1.68 1.37 0.00 -2.66 0.00 0.00 176.95 174.41 2qwp s ALA 843 N -2.43 3.57 0.00 2.67 0.00 -1.26 -2.56 121.76 121.74 2qwp s ALA 843 Ca 0.66 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.82 2qwp s ALA 843 Cb -0.20 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2qwp s ALA 843 CO 0.44 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.98 2qwp n GLY 844 N 2.28 1.83 3.67 0.00 0.00 -1.26 -5.06 105.19 106.65 2qwp n GLY 844 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2qwp n GLY 844 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qwp s GLU 845 N -0.11 4.21 0.00 1.61 -6.30 -1.06 -4.88 118.70 112.18 2qwp s GLU 845 Ca 0.00 2.13 0.00 0.00 -2.50 0.00 0.00 54.97 54.60 2qwp s GLU 845 Cb 0.00 -3.78 0.00 0.00 0.00 0.00 0.00 34.13 30.35 2qwp s GLU 845 CO 0.00 -0.74 0.12 0.25 0.02 0.00 0.00 175.26 174.91 2qwp n THR 846 N 5.09 0.00 -0.04 -1.70 -2.24 -1.26 -4.83 114.28 109.30 2qwp n THR 846 Ca 0.16 -0.37 -0.15 0.00 -2.27 0.00 0.00 64.05 61.41 2qwp n THR 846 Cb 0.43 1.08 -0.13 0.00 -2.10 0.00 0.00 70.33 69.60 2qwp n THR 846 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2qwp h LYS 847 N 0.00 0.07 -6.33 -0.78 1.57 -2.02 -3.46 116.57 105.62 2qwp h LYS 847 Ca 0.00 -0.12 -0.54 0.00 -1.87 0.00 0.00 60.65 58.12 2qwp h LYS 847 Cb 0.04 0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.40 2qwp h LYS 847 CO 0.00 1.06 1.11 -0.46 -0.57 0.00 0.00 179.45 180.58 2qwp s TRP 848 N -2.27 1.89 -0.14 -1.35 -0.11 -1.26 -5.00 118.94 110.70 2qwp s TRP 848 Ca -0.18 0.04 -0.17 0.00 1.22 0.00 0.00 56.10 57.02 2qwp s TRP 848 Cb -0.02 -4.01 -0.04 0.00 -1.50 0.00 0.00 33.47 27.89 2qwp s TRP 848 CO 0.72 -4.32 0.41 0.15 -4.62 0.00 0.00 176.95 169.30 2qwp s LYS 849 N 3.85 4.30 0.21 5.86 1.02 -1.26 -5.03 119.74 128.69 2qwp s LYS 849 Ca 0.77 0.31 -0.32 0.00 0.02 0.00 0.00 55.97 56.76 2qwp s LYS 849 Cb -0.37 -3.45 -0.13 0.00 -0.52 0.00 0.00 37.83 33.36 2qwp s LYS 849 CO 0.33 0.15 1.49 -2.30 -0.92 0.00 0.00 175.35 174.11 2qwp n PRO 850 N 3.75 2.13 -4.18 -1.68 -0.02 -1.26 -4.96 135.00 128.79 2qwp n PRO 850 Ca -0.09 0.76 -0.34 0.00 -2.02 0.00 0.00 63.50 61.81 2qwp n PRO 850 Cb 0.52 -2.47 -0.11 0.00 -0.02 0.00 0.00 33.50 31.42 2qwp n PRO 850 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2qwp s VAL 851 N 0.33 4.43 0.34 -1.45 0.11 -1.26 -5.11 120.40 117.80 2qwp s VAL 851 Ca 0.72 -0.17 -0.10 0.00 -2.93 0.00 0.00 61.98 59.51 2qwp s VAL 851 Cb -0.65 -2.97 -0.07 0.00 -1.53 0.00 0.00 36.38 31.17 2qwp s VAL 851 CO 0.45 0.48 0.68 -0.83 -3.33 0.00 0.00 175.10 172.55 2qwp s GLY 852 N 0.26 2.02 0.58 6.54 0.00 -1.26 -4.36 107.32 111.11 2qwp s GLY 852 Ca 0.01 -0.27 0.29 0.00 0.00 0.00 0.00 44.72 44.75 2qwp s GLY 852 CO 0.01 -0.10 1.93 -0.33 0.00 0.00 0.00 173.10 174.61 2qwp h MET 853 N 1.68 0.00 0.00 2.90 2.86 -1.94 -0.35 114.93 120.08 2qwp h MET 853 Ca -0.47 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.14 2qwp h MET 853 Cb 1.18 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.84 2qwp h MET 853 CO 0.65 0.00 -0.11 0.00 1.06 0.00 0.00 176.91 178.52 2qwp h ALA 854 N 1.52 1.12 -0.46 6.32 0.00 -2.03 -1.46 119.26 124.27 2qwp h ALA 854 Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2qwp h ALA 854 Cb 1.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2qwp h ALA 854 CO -0.00 0.13 0.00 -0.25 0.00 0.00 0.00 179.25 179.13 2qwp n ASP 855 N -3.39 3.00 -0.68 0.00 8.00 -0.14 -4.27 116.55 119.08 2qwp n ASP 855 Ca -0.01 -2.16 0.04 0.00 0.71 0.00 0.00 54.79 53.37 2qwp n ASP 855 Cb 0.29 -0.40 0.07 0.00 -0.02 0.00 0.00 41.12 41.05 2qwp n ASP 855 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2qwp n LEU 856 N 0.79 1.21 0.01 0.64 4.77 -0.55 -4.63 117.00 119.24 2qwp n LEU 856 Ca 0.17 -2.18 -0.08 0.00 -0.03 0.00 0.00 56.01 53.88 2qwp n LEU 856 Cb 0.53 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.38 2qwp n LEU 856 CO 0.14 0.60 0.27 0.58 -1.33 0.00 0.00 177.39 177.65 2qwp h VAL 857 N 4.49 0.75 -3.64 4.08 2.07 -1.74 -3.42 116.25 118.85 2qwp h VAL 857 Ca -0.06 -1.32 -0.50 0.00 0.82 0.00 0.00 66.70 65.64 2qwp h VAL 857 Cb 1.38 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 32.48 2qwp h VAL 857 CO 0.03 0.23 0.08 0.42 0.02 0.00 0.00 177.57 178.34 2qwp s THR 858 N -2.61 4.80 0.34 2.57 -4.23 -1.26 -4.91 115.64 110.35 2qwp s THR 858 Ca -0.10 0.59 0.08 0.00 -1.18 0.00 0.00 61.69 61.08 2qwp s THR 858 Cb -0.00 -3.71 0.32 0.00 1.34 0.00 0.00 72.50 70.44 2qwp s THR 858 CO 0.37 -0.44 1.87 -0.65 -0.54 0.00 0.00 174.62 175.23 2qwp h PRO 859 N 1.49 0.71 -0.56 3.99 0.11 -2.00 -0.32 132.00 135.43 2qwp h PRO 859 Ca -0.47 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 2qwp h PRO 859 Cb 1.19 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 2qwp h PRO 859 CO 0.64 0.47 0.19 0.93 -0.21 0.00 0.00 178.00 180.03 2qwp h GLU 860 N 0.74 0.83 -0.34 1.05 3.07 -1.99 -0.70 114.58 117.23 2qwp h GLU 860 Ca 0.45 -0.14 -0.09 0.00 -0.50 0.00 0.00 59.36 59.08 2qwp h GLU 860 Cb 0.68 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 2qwp h GLU 860 CO -0.21 0.70 -0.15 1.96 -1.40 0.00 0.00 179.01 179.91 2qwp h GLN 861 N 0.81 0.70 -0.25 2.33 4.20 -1.47 -2.60 115.11 118.83 2qwp h GLN 861 Ca 0.19 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 2qwp h GLN 861 Cb 0.21 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2qwp h GLN 861 CO -0.01 0.90 0.15 0.28 -0.67 0.00 0.00 178.83 179.47 2qwp h VAL 862 N 0.48 1.09 -0.45 -0.54 2.07 -0.84 -2.34 116.25 115.73 2qwp h VAL 862 Ca 0.08 -0.21 0.06 0.00 0.82 0.00 0.00 66.70 67.45 2qwp h VAL 862 Cb 0.67 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 2qwp h VAL 862 CO 0.05 0.09 0.14 0.50 0.02 0.00 0.00 177.57 178.36 2qwp h LYS 863 N 0.31 0.29 -0.42 1.57 3.64 -1.15 0.36 116.57 121.17 2qwp h LYS 863 Ca 0.09 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2qwp h LYS 863 Cb 0.01 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 2qwp h LYS 863 CO -0.02 0.19 0.21 -0.22 -2.27 0.00 0.00 179.45 177.34 2qwp h LYS 864 N 0.30 0.60 -0.26 1.90 3.64 -1.39 -1.09 116.57 120.28 2qwp h LYS 864 Ca 0.21 -0.08 -0.14 0.00 -1.27 0.00 0.00 60.65 59.37 2qwp h LYS 864 Cb 0.23 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2qwp h LYS 864 CO -0.23 0.51 -0.39 0.28 -2.27 0.00 0.00 179.45 177.35 2qwp h VAL 865 N 0.54 1.31 -0.46 2.00 2.07 -1.27 -2.70 116.25 117.74 2qwp h VAL 865 Ca 0.15 -1.59 0.09 0.00 0.82 0.00 0.00 66.70 66.17 2qwp h VAL 865 Cb 0.11 1.70 -0.09 0.00 -1.52 0.00 0.00 31.29 31.49 2qwp h VAL 865 CO -0.02 0.50 -0.10 0.22 0.02 0.00 0.00 177.57 178.20 2qwp h TYR 866 N 0.44 -0.21 -0.50 1.57 3.20 -0.80 -0.39 116.97 120.28 2qwp h TYR 866 Ca 0.02 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 2qwp h TYR 866 Cb 0.98 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.39 2qwp h TYR 866 CO 0.08 -0.18 0.18 0.00 -1.64 0.00 0.00 178.16 176.60 2qwp h ARG 867 N 0.02 0.73 -0.32 1.82 3.08 -1.10 -1.61 114.38 117.01 2qwp h ARG 867 Ca 0.22 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 2qwp h ARG 867 Cb 0.34 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2qwp h ARG 867 CO -0.46 0.62 0.03 0.87 -1.07 0.00 0.00 179.97 179.95 2qwp h LYS 868 N 0.72 0.54 -0.15 0.04 1.57 -1.06 -2.95 116.57 115.28 2qwp h LYS 868 Ca 0.17 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2qwp h LYS 868 Cb 0.17 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2qwp h LYS 868 CO -0.01 0.66 0.09 0.00 -0.57 0.00 0.00 179.45 179.62 2qwp h ALA 869 N 0.87 0.19 -0.44 3.86 0.00 -0.58 -2.70 119.26 120.46 2qwp h ALA 869 Ca 0.09 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2qwp h ALA 869 Cb 0.40 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2qwp h ALA 869 CO 0.01 -0.30 0.30 -0.39 0.00 0.00 0.00 179.25 178.87 2qwp h VAL 870 N 0.18 1.01 -0.42 0.00 -1.51 -1.34 -0.11 116.25 114.05 2qwp h VAL 870 Ca 0.05 -0.15 -0.05 0.00 -1.23 0.00 0.00 66.70 65.32 2qwp h VAL 870 Cb 0.02 0.54 -0.02 0.00 -2.13 0.00 0.00 31.29 29.70 2qwp h VAL 870 CO -0.01 0.08 0.04 -0.07 -1.23 0.00 0.00 177.57 176.38 2qwp h LEU 871 N 0.43 0.62 -0.16 4.19 3.38 -1.30 0.24 115.31 122.70 2qwp h LEU 871 Ca 0.18 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 2qwp h LEU 871 Cb 0.19 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2qwp h LEU 871 CO -0.05 0.66 -0.28 0.58 0.09 0.00 0.00 178.44 179.45 2qwp h VAL 872 N 0.63 1.35 -0.58 1.22 2.07 -0.77 -3.26 116.25 116.91 2qwp h VAL 872 Ca 0.13 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.15 2qwp h VAL 872 Cb 0.34 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2qwp h VAL 872 CO 0.01 0.45 0.00 1.33 0.02 0.00 0.00 177.57 179.38 2qwp n VAL 873 N -4.40 1.11 -1.70 2.57 0.24 -0.80 -4.95 118.33 110.41 2qwp n VAL 873 Ca -0.06 -0.88 -0.44 0.00 -2.04 0.00 0.00 64.34 60.92 2qwp n VAL 873 Cb 0.46 0.26 -0.04 0.00 -1.47 0.00 0.00 33.84 33.05 2qwp n VAL 873 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 2qwp n HIS 874 N 1.12 2.55 0.25 6.34 -0.00 0.06 -4.32 115.22 121.22 2qwp n HIS 874 Ca 0.21 0.11 0.07 0.00 -0.00 0.00 0.00 57.72 58.11 2qwp n HIS 874 Cb 0.62 -2.63 0.60 0.00 -0.00 0.00 0.00 29.99 28.58 2qwp n HIS 874 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2qwp h PRO 875 N 6.63 0.00 0.67 1.57 0.11 -1.89 -2.47 132.00 136.62 2qwp h PRO 875 Ca -0.44 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 2qwp h PRO 875 Cb 1.23 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.34 2qwp h PRO 875 CO 0.93 0.05 -0.32 0.00 -0.21 0.00 0.00 178.00 178.45 2qwp h LYS 877 N -1.00 0.47 0.00 0.00 6.56 -1.93 -2.62 116.57 118.04 2qwp h LYS 877 Ca -0.09 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.47 2qwp h LYS 877 Cb 0.71 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.27 2qwp h LYS 877 CO 0.15 0.31 0.00 0.00 -2.06 0.00 0.00 179.45 177.85 2qwp n ALA 878 N -2.46 2.17 -1.70 3.86 0.00 -0.94 -4.84 120.51 116.60 2qwp n ALA 878 Ca 0.21 -0.09 -0.43 0.00 0.00 0.00 0.00 53.44 53.14 2qwp n ALA 878 Cb 0.61 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 2qwp n ALA 878 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2qwp n THR 879 N -1.50 0.11 -0.95 0.00 -1.04 -0.86 -1.57 114.28 108.47 2qwp n THR 879 Ca 0.06 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 2qwp n THR 879 Cb 0.30 -1.97 0.00 0.00 -1.82 0.00 0.00 70.33 66.83 2qwp n THR 879 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qwp n GLY 880 N 3.99 1.04 3.89 3.41 0.00 -1.26 -5.03 105.19 111.23 2qwp n GLY 880 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2qwp n GLY 880 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qwp s GLN 881 N -0.02 3.69 0.58 1.61 -1.52 -0.61 -4.99 119.66 118.40 2qwp s GLN 881 Ca 0.00 0.11 0.27 0.00 -1.95 0.00 0.00 55.36 53.79 2qwp s GLN 881 Cb 0.00 -2.65 1.67 0.00 -0.22 0.00 0.00 33.01 31.82 2qwp s GLN 881 CO 0.00 0.25 2.17 -1.35 -0.25 0.00 0.00 175.29 176.11 2qwp h PRO 882 N 2.00 0.00 -0.61 2.91 0.11 -1.96 -1.85 132.00 132.61 2qwp h PRO 882 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2qwp h PRO 882 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2qwp h PRO 882 CO 0.67 0.00 0.00 2.48 -0.21 0.00 0.00 178.00 180.94 2qwp n TYR 883 N -3.93 0.93 -0.13 0.65 0.18 -1.26 -4.61 117.16 108.99 2qwp n TYR 883 Ca -0.01 -0.43 -0.04 0.00 1.88 0.00 0.00 57.90 59.30 2qwp n TYR 883 Cb 0.21 -0.07 0.02 0.00 -0.38 0.00 0.00 39.34 39.12 2qwp n TYR 883 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 2qwp h GLU 884 N 3.44 0.01 -0.92 -3.48 4.81 -1.50 -0.26 114.58 116.67 2qwp h GLU 884 Ca 0.00 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 2qwp h GLU 884 Cb 0.94 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.25 2qwp h GLU 884 CO 0.06 0.00 0.59 0.37 -0.73 0.00 0.00 179.01 179.31 2qwp h GLN 885 N 0.01 0.96 -0.02 1.92 4.15 -1.84 -1.83 115.11 118.45 2qwp h GLN 885 Ca 0.20 -0.06 -0.24 0.00 0.77 0.00 0.00 58.65 59.32 2qwp h GLN 885 Cb 0.31 -0.22 0.02 0.00 0.21 0.00 0.00 27.48 27.80 2qwp h GLN 885 CO -0.42 0.64 -0.92 1.88 -1.93 0.00 0.00 178.83 178.07 2qwp h TYR 886 N 0.99 0.97 -0.22 3.99 -1.99 -1.70 -2.14 116.97 116.86 2qwp h TYR 886 Ca 0.41 -0.51 0.05 0.00 2.00 0.00 0.00 58.73 60.67 2qwp h TYR 886 Cb 0.30 -0.12 -0.05 0.00 2.00 0.00 0.00 36.73 38.86 2qwp h TYR 886 CO -0.00 1.35 -0.07 0.00 -0.00 0.00 0.00 178.16 179.43 2qwp h ALA 887 N 0.41 0.12 -0.40 3.88 0.00 -0.81 -1.87 119.26 120.59 2qwp h ALA 887 Ca -0.11 0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.96 2qwp h ALA 887 Cb 1.58 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 19.51 2qwp h ALA 887 CO 0.18 -0.49 0.02 0.87 0.00 0.00 0.00 179.25 179.83 2qwp h LYS 888 N -0.03 0.13 -0.63 0.00 1.57 -1.32 0.79 116.57 117.08 2qwp h LYS 888 Ca 0.11 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 2qwp h LYS 888 Cb 0.20 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 2qwp h LYS 888 CO -0.25 0.09 0.39 0.52 -0.57 0.00 0.00 179.45 179.63 2qwp h MET 889 N 0.13 0.73 -0.12 3.15 2.86 -1.14 -1.57 114.93 118.98 2qwp h MET 889 Ca 0.20 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.75 2qwp h MET 889 Cb 0.27 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 2qwp h MET 889 CO -0.31 0.49 -0.08 0.82 1.06 0.00 0.00 176.91 178.88 2qwp h ILE 890 N 0.76 1.34 -0.54 -1.22 2.04 -0.85 -2.54 117.51 116.49 2qwp h ILE 890 Ca 0.26 -1.18 0.11 0.00 1.00 0.00 0.00 64.86 65.05 2qwp h ILE 890 Cb 0.03 1.85 -0.10 0.00 -0.74 0.00 0.00 36.82 37.87 2qwp h ILE 890 CO -0.11 0.34 -0.08 0.15 0.00 0.00 0.00 178.15 178.45 2qwp h PHE 891 N -0.10 -0.18 -0.42 1.37 3.57 -0.70 0.01 116.94 120.48 2qwp h PHE 891 Ca 0.02 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.44 2qwp h PHE 891 Cb 0.58 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 2qwp h PHE 891 CO 0.08 -0.19 -0.23 0.52 -2.23 0.00 0.00 178.31 176.25 2qwp h MET 892 N 0.05 0.86 -0.39 1.11 2.86 -1.26 -1.32 114.93 116.84 2qwp h MET 892 Ca 0.27 -0.36 -0.07 0.00 -2.06 0.00 0.00 59.70 57.47 2qwp h MET 892 Cb 0.42 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 2qwp h MET 892 CO -0.52 1.00 -0.03 1.49 1.06 0.00 0.00 176.91 179.92 2qwp h GLU 893 N 0.75 0.71 -0.49 1.72 4.57 -1.06 -2.05 114.58 118.72 2qwp h GLU 893 Ca 0.10 -0.24 0.04 0.00 -1.18 0.00 0.00 59.36 58.08 2qwp h GLU 893 Cb 0.77 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.26 2qwp h GLU 893 CO 0.06 0.82 0.25 -0.07 -1.18 0.00 0.00 179.01 178.90 2qwp h LEU 894 N 0.53 0.36 -0.73 1.64 3.38 -0.80 -0.28 115.31 119.41 2qwp h LEU 894 Ca 0.11 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.13 2qwp h LEU 894 Cb 0.52 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 2qwp h LEU 894 CO 0.03 0.25 0.46 0.78 0.09 0.00 0.00 178.44 180.05 2qwp h ASN 895 N 0.49 0.77 -0.53 -0.43 -0.26 -1.14 0.36 115.58 114.84 2qwp h ASN 895 Ca 0.22 -0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.91 2qwp h ASN 895 Cb 0.12 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.19 2qwp h ASN 895 CO -0.15 0.53 0.16 0.44 -1.06 0.00 0.00 177.43 177.36 2qwp h ASP 896 N 0.91 0.78 -0.55 5.81 3.45 -0.83 -1.54 116.42 124.45 2qwp h ASP 896 Ca 0.29 -0.21 -0.02 0.00 0.43 0.00 0.00 57.03 57.52 2qwp h ASP 896 Cb 0.00 -0.20 -0.03 0.00 -0.56 0.00 0.00 39.33 38.54 2qwp h ASP 896 CO -0.10 0.79 0.26 0.00 -1.57 0.00 0.00 179.24 178.61 2qwp h ALA 897 N 1.03 0.71 -0.29 3.45 0.00 -0.64 -1.99 119.26 121.53 2qwp h ALA 897 Ca 0.17 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qwp h ALA 897 Cb 0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2qwp h ALA 897 CO -0.00 0.28 0.17 2.35 0.00 0.00 0.00 179.25 182.05 2qwp h TRP 898 N 0.75 0.38 -0.54 0.00 2.91 -0.75 -0.69 115.95 118.00 2qwp h TRP 898 Ca 0.19 -0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.16 2qwp h TRP 898 Cb 0.13 -0.12 -0.03 0.00 -0.51 0.00 0.00 29.16 28.63 2qwp h TRP 898 CO -0.00 0.29 0.14 0.66 -1.03 0.00 0.00 178.44 178.50 2qwp h SER 899 N 0.36 0.77 -0.27 2.65 4.64 -1.08 0.96 113.55 121.58 2qwp h SER 899 Ca 0.10 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.27 2qwp h SER 899 Cb 0.03 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 2qwp h SER 899 CO -0.02 0.76 0.09 -0.08 -0.87 0.00 0.00 176.83 176.70 2qwp h GLU 900 N 0.80 0.42 -0.57 4.77 4.81 -1.22 -1.81 114.58 121.79 2qwp h GLU 900 Ca 0.18 -0.09 0.07 0.00 -0.13 0.00 0.00 59.36 59.39 2qwp h GLU 900 Cb 0.29 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.55 2qwp h GLU 900 CO -0.00 0.49 0.24 0.35 -0.73 0.00 0.00 179.01 179.35 2qwp h PHE 901 N 0.28 0.43 -0.68 0.92 3.57 -0.66 -2.42 116.94 118.38 2qwp h PHE 901 Ca 0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 2qwp h PHE 901 Cb 0.24 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 2qwp h PHE 901 CO 0.00 0.16 0.44 0.93 -2.23 0.00 0.00 178.31 177.61 2qwp h GLU 902 N 0.45 0.90 -0.95 1.11 5.08 -0.64 -2.75 114.58 117.78 2qwp h GLU 902 Ca 0.27 -0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.65 2qwp h GLU 902 Cb 0.27 -0.20 -0.07 0.00 0.50 0.00 0.00 28.75 29.25 2qwp h GLU 902 CO -0.24 0.60 0.61 -0.91 -1.00 0.00 0.00 179.01 178.08 2qwp h ASN 903 N 0.93 0.94 0.00 1.42 2.35 -0.81 -3.51 115.58 116.89 2qwp h ASN 903 Ca 0.25 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 2qwp h ASN 903 Cb -0.09 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.09 2qwp h ASN 903 CO -0.05 0.58 0.00 0.00 -1.65 0.00 0.00 177.43 176.31