#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f66 s VAL 817 N 0.00 5.23 0.82 0.00 1.01 -1.26 -5.06 120.40 121.13 1f66 s VAL 817 Ca 0.00 0.80 -0.12 0.00 0.00 0.00 0.00 61.98 62.66 1f66 s VAL 817 Cb 0.00 -3.75 0.09 0.00 0.00 0.00 0.00 36.38 32.72 1f66 s VAL 817 CO 0.00 0.33 1.16 -0.94 0.00 0.00 0.00 175.10 175.66 1f66 s SER 818 N 0.63 3.65 0.35 3.32 1.04 -1.26 -4.72 113.70 116.71 1f66 s SER 818 Ca 0.22 2.21 0.10 0.00 0.48 0.00 0.00 55.95 58.95 1f66 s SER 818 Cb -0.14 -2.57 0.64 0.00 0.10 0.00 0.00 66.02 64.05 1f66 s SER 818 CO 0.08 -2.62 1.81 0.03 0.98 0.00 0.00 173.24 173.51 1f66 h ARG 819 N -1.14 0.14 0.21 4.02 3.08 -1.97 0.57 114.38 119.29 1f66 h ARG 819 Ca -0.45 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.54 1f66 h ARG 819 Cb 1.27 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.32 1f66 h ARG 819 CO 0.46 0.46 -0.10 0.77 -1.07 0.00 0.00 179.97 180.49 1f66 h SER 820 N 0.13 -0.23 -0.65 7.04 0.02 -1.88 0.57 113.55 118.56 1f66 h SER 820 Ca 0.02 -0.08 0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1f66 h SER 820 Cb 0.64 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.21 1f66 h SER 820 CO 0.05 -0.07 0.42 -0.61 -1.14 0.00 0.00 176.83 175.48 1f66 h GLN 821 N -0.39 0.82 -0.01 3.45 4.15 -1.67 0.40 115.11 121.87 1f66 h GLN 821 Ca -0.03 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 1f66 h GLN 821 Cb 0.30 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.80 1f66 h GLN 821 CO 0.05 0.54 -0.02 -0.09 -1.93 0.00 0.00 178.83 177.38 1f66 h ARG 822 N 0.84 0.01 -0.00 1.69 2.43 0.38 -1.65 114.38 118.09 1f66 h ARG 822 Ca 0.24 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1f66 h ARG 822 Cb -0.06 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1f66 h ARG 822 CO -0.07 0.04 -0.54 0.00 -1.51 0.00 0.00 179.97 177.89 1f66 n ALA 823 N -2.53 3.68 -2.72 2.80 0.00 0.23 -4.97 120.51 117.00 1f66 n ALA 823 Ca -0.03 -0.43 -0.05 0.00 0.00 0.00 0.00 53.44 52.93 1f66 n ALA 823 Cb 0.11 -1.04 0.02 0.00 0.00 0.00 0.00 19.45 18.54 1f66 n ALA 823 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f66 n GLY 824 N 1.46 0.62 3.33 0.00 0.00 0.12 -5.06 105.19 105.66 1f66 n GLY 824 Ca 0.07 -0.47 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 1f66 n GLY 824 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1f66 s LEU 825 N -2.39 2.44 -0.11 0.99 1.43 -0.63 -5.02 118.68 115.38 1f66 s LEU 825 Ca 0.12 -0.86 0.15 0.00 -1.03 0.00 0.00 54.13 52.51 1f66 s LEU 825 Cb -0.05 -0.81 -0.24 0.00 0.03 0.00 0.00 46.19 45.11 1f66 s LEU 825 CO 0.16 -0.04 0.39 0.00 0.23 0.00 0.00 176.35 177.09 1f66 n GLN 826 N 0.28 0.66 -2.67 1.70 1.13 -1.26 -4.33 117.38 112.89 1f66 n GLN 826 Ca -0.13 0.16 -0.40 0.00 -1.94 0.00 0.00 57.00 54.69 1f66 n GLN 826 Cb 0.57 -1.67 -0.05 0.00 0.11 0.00 0.00 30.24 29.20 1f66 n GLN 826 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1f66 s PHE 827 N -2.55 3.83 -0.51 1.08 0.40 -1.26 -4.97 117.98 114.00 1f66 s PHE 827 Ca -0.07 1.81 -0.26 0.00 -0.60 0.00 0.00 56.93 57.81 1f66 s PHE 827 Cb 0.07 -3.08 -0.05 0.00 0.51 0.00 0.00 43.02 40.47 1f66 s PHE 827 CO 0.82 0.10 2.20 -1.25 0.70 0.00 0.00 175.22 177.79 1f66 s PRO 828 N -0.84 2.37 0.08 0.24 0.05 -1.26 -4.81 135.00 130.83 1f66 s PRO 828 Ca 0.44 1.19 -0.18 0.00 0.05 0.00 0.00 61.00 62.50 1f66 s PRO 828 Cb -0.27 -4.50 -0.09 0.00 0.05 0.00 0.00 34.50 29.70 1f66 s PRO 828 CO 0.33 -2.99 1.46 0.28 0.05 0.00 0.00 177.00 176.13 1f66 h VAL 829 N 7.37 1.29 -0.77 -0.36 2.07 -1.91 -2.48 116.25 121.47 1f66 h VAL 829 Ca -0.26 -1.14 0.05 0.00 0.82 0.00 0.00 66.70 66.18 1f66 h VAL 829 Cb 1.23 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 32.46 1f66 h VAL 829 CO 1.16 0.35 0.46 1.23 0.02 0.00 0.00 177.57 180.80 1f66 h GLY 830 N 0.23 1.14 1.05 2.17 0.00 -1.94 0.26 103.07 105.98 1f66 h GLY 830 Ca 0.06 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 46.94 1f66 h GLY 830 CO 0.03 0.23 -0.16 -0.09 0.00 0.00 0.00 176.54 176.55 1f66 h ARG 831 N 0.86 0.90 -0.48 4.80 2.43 -1.98 -1.35 114.38 119.56 1f66 h ARG 831 Ca 0.33 -0.37 -0.09 0.00 -0.81 0.00 0.00 59.98 59.04 1f66 h ARG 831 Cb 0.15 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1f66 h ARG 831 CO -0.16 1.02 -0.07 0.82 -1.51 0.00 0.00 179.97 180.06 1f66 h ILE 832 N 0.73 1.26 -0.77 1.20 1.08 -0.90 -0.80 117.51 119.31 1f66 h ILE 832 Ca 0.11 -1.15 -0.04 0.00 -0.39 0.00 0.00 64.86 63.39 1f66 h ILE 832 Cb 0.72 0.96 -0.03 0.00 -3.07 0.00 0.00 36.82 35.40 1f66 h ILE 832 CO 0.05 0.40 0.33 -0.74 -0.69 0.00 0.00 178.15 177.51 1f66 h HIS 833 N 0.78 1.15 0.40 1.37 2.76 -0.24 -1.38 115.15 119.99 1f66 h HIS 833 Ca 0.14 -0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 1f66 h HIS 833 Cb 0.57 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 29.19 1f66 h HIS 833 CO 0.03 0.87 -0.19 -0.09 -1.30 0.00 0.00 177.93 177.25 1f66 h ARG 834 N 1.11 -0.52 -0.43 5.26 2.43 -0.70 -1.86 114.38 119.67 1f66 h ARG 834 Ca 0.26 0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.52 1f66 h ARG 834 Cb 0.18 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 1f66 h ARG 834 CO -0.03 -0.34 0.29 0.45 -1.51 0.00 0.00 179.97 178.83 1f66 h HIS 835 N -0.54 0.35 -0.17 2.20 3.86 -0.98 -1.66 115.15 118.21 1f66 h HIS 835 Ca -0.05 0.01 -0.19 0.00 -1.16 0.00 0.00 60.37 58.97 1f66 h HIS 835 Cb 0.41 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.77 1f66 h HIS 835 CO -0.05 0.19 -0.66 -0.07 0.86 0.00 0.00 177.93 178.20 1f66 h LEU 836 N 0.35 0.75 -1.66 2.43 3.38 -0.83 -2.86 115.31 116.87 1f66 h LEU 836 Ca 0.19 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1f66 h LEU 836 Cb 0.30 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1f66 h LEU 836 CO -0.04 1.21 -0.19 0.11 0.09 0.00 0.00 178.44 179.62 1f66 h LYS 837 N 0.47 0.00 -0.00 1.13 1.57 -0.51 -2.43 116.57 116.80 1f66 h LYS 837 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1f66 h LYS 837 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1f66 h LYS 837 CO 0.13 0.19 -0.43 -1.13 -0.57 0.00 0.00 179.45 177.64 1f66 n SER 838 N -4.16 0.80 -1.30 0.86 3.41 -0.80 -2.98 113.62 109.46 1f66 n SER 838 Ca -0.02 -0.61 0.08 0.00 -0.26 0.00 0.00 58.87 58.06 1f66 n SER 838 Cb 0.26 0.25 0.31 0.00 -0.26 0.00 0.00 64.21 64.77 1f66 n SER 838 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1f66 n ARG 839 N -1.09 3.56 0.00 4.33 0.63 -0.98 -4.80 116.66 118.31 1f66 n ARG 839 Ca 0.08 -2.79 0.00 0.00 -0.92 0.00 0.00 57.85 54.23 1f66 n ARG 839 Cb 0.34 -1.84 0.00 0.00 0.45 0.00 0.00 32.46 31.42 1f66 n ARG 839 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1f66 n THR 840 N 0.52 0.00 0.00 5.15 -1.04 -0.95 -5.00 114.28 112.95 1f66 n THR 840 Ca 0.23 1.18 0.00 0.00 -2.04 0.00 0.00 64.05 63.41 1f66 n THR 840 Cb 0.86 -1.88 0.00 0.00 -1.82 0.00 0.00 70.33 67.50 1f66 n THR 840 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1f66 n THR 841 N -1.43 0.00 0.00 12.58 5.66 -1.26 -4.77 114.28 125.06 1f66 n THR 841 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1f66 n THR 841 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1f66 n THR 841 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1f66 n SER 842 N 0.00 0.00 -0.47 1.09 7.64 -1.26 -2.17 113.62 118.46 1f66 n SER 842 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1f66 n SER 842 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1f66 n SER 842 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1f66 n HIS 843 N 14.00 0.00 -2.12 1.43 8.25 -1.26 -4.82 115.22 130.70 1f66 n HIS 843 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 1f66 n HIS 843 Cb 0.00 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.09 1f66 n HIS 843 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1f66 s GLY 844 N -0.94 2.94 0.10 -1.41 0.00 -0.92 -5.04 107.32 102.04 1f66 s GLY 844 Ca 0.00 1.19 0.10 0.00 0.00 0.00 0.00 44.72 46.01 1f66 s GLY 844 CO 0.00 1.78 -0.26 0.50 0.00 0.00 0.00 173.10 175.12 1f66 s ARG 845 N -2.12 1.48 -0.24 2.90 0.52 -1.26 -4.87 118.95 115.36 1f66 s ARG 845 Ca 0.55 -1.24 0.00 0.00 -0.52 0.00 0.00 55.73 54.52 1f66 s ARG 845 Cb -0.37 -1.85 0.04 0.00 0.52 0.00 0.00 34.95 33.29 1f66 s ARG 845 CO 0.48 0.45 -0.10 0.08 0.02 0.00 0.00 175.30 176.23 1f66 s VAL 846 N -0.99 2.49 0.80 3.52 1.01 -1.26 -5.06 120.40 120.92 1f66 s VAL 846 Ca 0.12 -1.21 -0.14 0.00 0.00 0.00 0.00 61.98 60.75 1f66 s VAL 846 Cb -0.10 -2.29 0.04 0.00 0.00 0.00 0.00 36.38 34.03 1f66 s VAL 846 CO 0.05 0.19 0.85 0.61 0.00 0.00 0.00 175.10 176.79 1f66 n GLY 847 N 4.58 -0.83 0.26 4.51 0.00 -1.26 -4.92 105.19 107.53 1f66 n GLY 847 Ca -0.17 -0.50 -0.07 0.00 0.00 0.00 0.00 46.02 45.29 1f66 n GLY 847 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f66 h ALA 848 N -0.83 -0.02 -0.03 4.61 0.00 -2.04 -2.74 119.26 118.20 1f66 h ALA 848 Ca -0.46 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1f66 h ALA 848 Cb 1.31 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1f66 h ALA 848 CO 0.43 -0.62 0.00 0.25 0.00 0.00 0.00 179.25 179.31 1f66 n THR 849 N -5.37 0.03 -0.17 0.00 -2.24 -1.26 -4.19 114.28 101.07 1f66 n THR 849 Ca 0.01 -0.16 -0.10 0.00 -2.27 0.00 0.00 64.05 61.53 1f66 n THR 849 Cb 0.29 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1f66 n THR 849 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1f66 h ALA 850 N 4.13 0.64 -0.32 6.98 0.00 -1.84 -1.77 119.26 127.07 1f66 h ALA 850 Ca 0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 1f66 h ALA 850 Cb 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1f66 h ALA 850 CO 0.00 0.41 -0.21 0.00 0.00 0.00 0.00 179.25 179.45 1f66 h ALA 851 N 0.94 1.03 0.28 0.00 0.00 -1.75 -1.72 119.26 118.04 1f66 h ALA 851 Ca 0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1f66 h ALA 851 Cb 0.46 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1f66 h ALA 851 CO 0.02 0.58 -0.13 0.28 0.00 0.00 0.00 179.25 180.00 1f66 h VAL 852 N 0.55 0.76 -0.95 0.00 2.07 -1.71 0.10 116.25 117.07 1f66 h VAL 852 Ca 0.08 -0.31 0.07 0.00 0.82 0.00 0.00 66.70 67.36 1f66 h VAL 852 Cb 0.66 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 1f66 h VAL 852 CO 0.05 0.07 0.61 0.22 0.02 0.00 0.00 177.57 178.54 1f66 h TYR 853 N -0.54 1.10 -0.42 1.57 5.03 -1.26 -1.89 116.97 120.56 1f66 h TYR 853 Ca -0.04 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.27 1f66 h TYR 853 Cb 0.40 -0.36 -0.02 0.00 1.55 0.00 0.00 36.73 38.30 1f66 h TYR 853 CO -0.01 0.56 0.15 0.77 -1.32 0.00 0.00 178.16 178.31 1f66 h SER 854 N 1.07 0.60 -0.50 -2.11 0.02 -0.92 -2.27 113.55 109.43 1f66 h SER 854 Ca 0.42 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 61.14 1f66 h SER 854 Cb 0.23 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 1f66 h SER 854 CO -0.17 0.62 0.16 0.00 -1.14 0.00 0.00 176.83 176.30 1f66 h ALA 855 N 1.00 1.24 -0.41 3.77 0.00 -0.52 -1.90 119.26 122.44 1f66 h ALA 855 Ca 0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1f66 h ALA 855 Cb 0.22 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1f66 h ALA 855 CO -0.01 0.53 0.08 0.00 0.00 0.00 0.00 179.25 179.85 1f66 h ALA 856 N 1.37 0.55 0.08 0.00 0.00 -0.96 -0.39 119.26 119.90 1f66 h ALA 856 Ca 0.18 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1f66 h ALA 856 Cb 0.26 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1f66 h ALA 856 CO -0.01 0.26 -0.05 0.82 0.00 0.00 0.00 179.25 180.27 1f66 h ILE 857 N 0.54 0.88 -0.34 0.00 1.08 -1.30 0.45 117.51 118.81 1f66 h ILE 857 Ca 0.13 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.62 1f66 h ILE 857 Cb 0.36 0.88 -0.03 0.00 -3.07 0.00 0.00 36.82 34.97 1f66 h ILE 857 CO 0.01 0.00 0.17 -0.07 -0.69 0.00 0.00 178.15 177.57 1f66 h LEU 858 N -0.14 0.26 -0.80 1.44 3.38 -1.31 -0.18 115.31 117.96 1f66 h LEU 858 Ca -0.01 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1f66 h LEU 858 Cb 0.12 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1f66 h LEU 858 CO 0.01 0.19 0.03 -0.08 0.09 0.00 0.00 178.44 178.67 1f66 h GLU 859 N 0.36 0.93 -0.52 1.13 4.81 -0.99 -1.69 114.58 118.61 1f66 h GLU 859 Ca 0.14 -0.26 -0.12 0.00 -0.13 0.00 0.00 59.36 59.00 1f66 h GLU 859 Cb 0.05 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1f66 h GLU 859 CO -0.10 0.91 -0.14 -0.92 -0.73 0.00 0.00 179.01 178.03 1f66 h TYR 860 N 0.87 1.12 -0.30 0.92 3.20 -0.26 -0.39 116.97 122.13 1f66 h TYR 860 Ca 0.17 -0.24 -0.11 0.00 3.14 0.00 0.00 58.73 61.68 1f66 h TYR 860 Cb 0.47 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 1f66 h TYR 860 CO 0.03 1.05 -0.26 -0.07 -1.64 0.00 0.00 178.16 177.27 1f66 h LEU 861 N 0.88 0.74 -0.79 2.82 3.38 -0.96 -1.53 115.31 119.84 1f66 h LEU 861 Ca 0.13 -0.46 0.05 0.00 0.09 0.00 0.00 57.88 57.69 1f66 h LEU 861 Cb 0.70 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 1f66 h LEU 861 CO 0.05 1.05 0.49 0.74 0.09 0.00 0.00 178.44 180.86 1f66 h THR 862 N 0.45 1.07 -0.58 0.22 2.02 -1.23 -1.09 112.91 113.76 1f66 h THR 862 Ca 0.05 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 1f66 h THR 862 Cb 0.82 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 1f66 h THR 862 CO 0.07 0.17 0.25 0.00 0.37 0.00 0.00 175.52 176.38 1f66 h ALA 863 N 1.36 0.74 -0.26 6.16 0.00 -0.73 -1.43 119.26 125.10 1f66 h ALA 863 Ca 0.33 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1f66 h ALA 863 Cb 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1f66 h ALA 863 CO -0.15 0.33 0.16 1.49 0.00 0.00 0.00 179.25 181.08 1f66 h GLU 864 N 0.79 0.36 -0.13 0.00 4.57 -0.82 -0.22 114.58 119.13 1f66 h GLU 864 Ca 0.19 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 1f66 h GLU 864 Cb 0.16 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1f66 h GLU 864 CO -0.02 0.29 0.03 0.28 -1.18 0.00 0.00 179.01 178.41 1f66 h VAL 865 N 0.33 1.21 -0.66 0.32 2.07 -1.09 -2.86 116.25 115.57 1f66 h VAL 865 Ca 0.09 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 1f66 h VAL 865 Cb 0.02 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1f66 h VAL 865 CO -0.02 0.19 0.22 -0.07 0.02 0.00 0.00 177.57 177.91 1f66 h LEU 866 N 0.01 0.92 -0.16 2.57 3.38 -1.23 -0.52 115.31 120.27 1f66 h LEU 866 Ca 0.04 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.91 1f66 h LEU 866 Cb 0.27 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1f66 h LEU 866 CO 0.00 0.85 -0.17 -0.08 0.09 0.00 0.00 178.44 179.14 1f66 h GLU 867 N 0.97 -0.19 -0.34 1.13 4.57 -0.96 0.12 114.58 119.89 1f66 h GLU 867 Ca 0.22 0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.27 1f66 h GLU 867 Cb 0.25 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1f66 h GLU 867 CO -0.01 -0.12 -0.36 -0.07 -1.18 0.00 0.00 179.01 177.27 1f66 h LEU 868 N -0.19 0.81 -0.06 1.64 3.38 -1.28 -2.01 115.31 117.61 1f66 h LEU 868 Ca 0.11 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1f66 h LEU 868 Cb 0.35 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1f66 h LEU 868 CO -0.28 1.09 -0.00 0.00 0.09 0.00 0.00 178.44 179.34 1f66 h ALA 869 N 0.95 0.08 -0.69 1.53 0.00 -0.90 -1.85 119.26 118.38 1f66 h ALA 869 Ca 0.06 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 54.93 1f66 h ALA 869 Cb 0.91 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1f66 h ALA 869 CO 0.08 -0.24 0.46 0.78 0.00 0.00 0.00 179.25 180.33 1f66 h GLY 870 N -0.20 0.61 1.53 0.00 0.00 -0.77 0.22 103.07 104.47 1f66 h GLY 870 Ca 0.02 -0.16 -0.13 0.00 0.00 0.00 0.00 47.33 47.05 1f66 h GLY 870 CO 0.00 0.07 -0.42 3.43 0.00 0.00 0.00 176.54 179.62 1f66 h ASN 871 N 0.39 0.54 0.32 0.19 2.35 -0.75 -2.71 115.58 115.90 1f66 h ASN 871 Ca 0.33 -0.24 -0.19 0.00 -0.55 0.00 0.00 56.30 55.65 1f66 h ASN 871 Cb 0.75 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 1f66 h ASN 871 CO -0.10 0.90 -0.76 0.00 -1.65 0.00 0.00 177.43 175.82 1f66 h ALA 872 N 1.13 0.58 0.00 -0.83 0.00 0.04 -1.56 119.26 118.62 1f66 h ALA 872 Ca 0.03 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 1f66 h ALA 872 Cb 0.91 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1f66 h ALA 872 CO 0.08 0.78 -0.05 0.66 0.00 0.00 0.00 179.25 180.72 1f66 h SER 873 N 0.24 0.00 0.25 0.00 4.64 -0.62 -2.90 113.55 115.15 1f66 h SER 873 Ca -0.04 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.94 1f66 h SER 873 Cb 1.34 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.46 1f66 h SER 873 CO 0.13 0.05 -1.55 0.50 -0.87 0.00 0.00 176.83 175.09 1f66 h LYS 874 N 0.00 0.51 0.00 4.77 3.64 -1.12 -1.92 116.57 122.45 1f66 h LYS 874 Ca -0.00 -0.87 0.00 0.00 -1.27 0.00 0.00 60.65 58.50 1f66 h LYS 874 Cb 0.45 0.33 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1f66 h LYS 874 CO 0.01 1.42 0.00 -0.25 -2.27 0.00 0.00 179.45 178.35 1f66 n ASP 875 N -3.69 0.00 -0.35 4.20 8.00 -0.63 -1.75 116.55 122.34 1f66 n ASP 875 Ca -0.19 -0.54 0.08 0.00 0.71 0.00 0.00 54.79 54.85 1f66 n ASP 875 Cb 1.10 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 42.37 1f66 n ASP 875 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1f66 n LEU 876 N -0.95 2.71 -4.07 0.64 4.77 -1.17 -5.00 117.00 113.93 1f66 n LEU 876 Ca 0.11 -3.31 -0.46 0.00 -0.03 0.00 0.00 56.01 52.31 1f66 n LEU 876 Cb 0.05 -0.48 0.02 0.00 -2.33 0.00 0.00 43.42 40.68 1f66 n LEU 876 CO 0.08 0.90 -0.17 0.29 -1.33 0.00 0.00 177.39 177.16 1f66 n LYS 877 N -1.25 -0.28 -3.81 3.23 5.02 -0.72 -4.96 118.16 115.39 1f66 n LYS 877 Ca 0.18 0.10 -0.12 0.00 -2.02 0.00 0.00 58.31 56.45 1f66 n LYS 877 Cb 0.70 -2.52 -0.09 0.00 -0.02 0.00 0.00 35.03 33.11 1f66 n LYS 877 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1f66 s VAL 878 N -3.51 0.08 -0.11 -0.18 0.11 -0.73 -5.05 120.40 111.02 1f66 s VAL 878 Ca 0.48 -0.69 0.12 0.00 -2.93 0.00 0.00 61.98 58.96 1f66 s VAL 878 Cb -0.27 -0.71 -0.24 0.00 -1.53 0.00 0.00 36.38 33.64 1f66 s VAL 878 CO 0.97 -0.38 0.42 0.29 -3.33 0.00 0.00 175.10 173.07 1f66 n LYS 879 N 1.03 0.66 -4.25 1.54 5.02 -1.26 -4.14 118.16 116.76 1f66 n LYS 879 Ca -0.21 0.20 -0.35 0.00 -2.02 0.00 0.00 58.31 55.93 1f66 n LYS 879 Cb 0.57 -1.69 -0.09 0.00 -0.02 0.00 0.00 35.03 33.80 1f66 n LYS 879 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1f66 s ARG 880 N -2.56 3.31 0.11 1.97 0.52 -1.26 -5.06 118.95 115.98 1f66 s ARG 880 Ca -0.09 -0.38 -0.31 0.00 -0.52 0.00 0.00 55.73 54.44 1f66 s ARG 880 Cb 0.07 -2.93 -0.07 0.00 0.52 0.00 0.00 34.95 32.54 1f66 s ARG 880 CO 0.81 0.57 1.26 0.42 0.02 0.00 0.00 175.30 178.39 1f66 s ILE 881 N -0.51 3.69 0.48 1.52 1.01 -1.26 -4.93 121.20 121.20 1f66 s ILE 881 Ca 0.09 1.26 0.05 0.00 0.00 0.00 0.00 60.65 62.05 1f66 s ILE 881 Cb -0.12 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 1f66 s ILE 881 CO 0.02 0.12 0.21 0.42 0.00 0.00 0.00 174.94 175.71 1f66 s THR 882 N 0.82 1.82 0.28 2.92 -4.23 -1.26 -4.98 115.64 111.01 1f66 s THR 882 Ca 0.59 -1.70 -0.02 0.00 -1.18 0.00 0.00 61.69 59.37 1f66 s THR 882 Cb -0.33 -2.52 0.18 0.00 1.34 0.00 0.00 72.50 71.17 1f66 s THR 882 CO 0.31 0.00 1.86 -0.65 -0.54 0.00 0.00 174.62 175.60 1f66 h PRO 883 N 1.19 0.95 -0.90 3.99 0.11 -1.88 0.02 132.00 135.48 1f66 h PRO 883 Ca -0.41 -0.15 0.06 0.00 0.11 0.00 0.00 66.00 65.60 1f66 h PRO 883 Cb 1.28 -0.17 -0.06 0.00 0.11 0.00 0.00 31.00 32.17 1f66 h PRO 883 CO 0.67 0.77 0.59 -0.09 -0.21 0.00 0.00 178.00 179.73 1f66 h ARG 884 N 0.94 1.02 -0.16 1.05 2.43 -1.82 0.29 114.38 118.12 1f66 h ARG 884 Ca 0.22 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 59.17 1f66 h ARG 884 Cb 0.17 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1f66 h ARG 884 CO -0.02 0.67 -0.58 0.45 -1.51 0.00 0.00 179.97 178.98 1f66 h HIS 885 N 1.05 0.67 -0.58 2.20 -0.00 -1.40 -1.49 115.15 115.59 1f66 h HIS 885 Ca 0.38 -0.25 -0.05 0.00 -0.00 0.00 0.00 60.37 60.45 1f66 h HIS 885 Cb 0.15 -0.12 -0.03 0.00 -0.00 0.00 0.00 27.41 27.41 1f66 h HIS 885 CO -0.00 0.98 0.17 -0.07 -0.00 0.00 0.00 177.93 179.01 1f66 h LEU 886 N 0.40 0.82 -0.21 2.43 3.38 -0.53 -1.80 115.31 119.80 1f66 h LEU 886 Ca -0.00 -0.14 -0.21 0.00 0.09 0.00 0.00 57.88 57.62 1f66 h LEU 886 Cb 1.13 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.68 1f66 h LEU 886 CO 0.11 0.78 -0.70 -0.61 0.09 0.00 0.00 178.44 178.11 1f66 h GLN 887 N 0.86 0.83 -0.49 1.13 5.75 -0.78 -0.42 115.11 121.99 1f66 h GLN 887 Ca 0.19 -0.62 -0.03 0.00 -0.15 0.00 0.00 58.65 58.04 1f66 h GLN 887 Cb 0.27 0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 1f66 h GLN 887 CO -0.01 1.24 0.18 -0.07 -2.65 0.00 0.00 178.83 177.52 1f66 h LEU 888 N 0.59 0.68 -0.28 -2.39 3.38 -1.18 -1.18 115.31 114.94 1f66 h LEU 888 Ca -0.03 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1f66 h LEU 888 Cb 1.33 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1f66 h LEU 888 CO 0.15 0.68 0.16 0.00 0.09 0.00 0.00 178.44 179.52 1f66 h ALA 889 N 1.03 0.35 -0.01 1.53 0.00 -1.22 -0.91 119.26 120.04 1f66 h ALA 889 Ca 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1f66 h ALA 889 Cb 0.22 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1f66 h ALA 889 CO -0.01 -0.14 -0.01 0.82 0.00 0.00 0.00 179.25 179.91 1f66 h ILE 890 N 0.35 1.42 0.00 0.00 2.04 -1.01 -2.96 117.51 117.34 1f66 h ILE 890 Ca 0.10 -1.26 -0.03 0.00 1.00 0.00 0.00 64.86 64.67 1f66 h ILE 890 Cb 0.03 2.25 -0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1f66 h ILE 890 CO -0.02 0.33 -0.16 0.03 0.00 0.00 0.00 178.15 178.33 1f66 h ARG 891 N -0.49 0.00 0.00 2.37 2.47 -1.27 -2.66 114.38 114.79 1f66 h ARG 891 Ca 0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1f66 h ARG 891 Cb 0.55 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.87 1f66 h ARG 891 CO 0.00 0.16 -0.01 0.78 0.56 0.00 0.00 179.97 181.47 1f66 h GLY 892 N 1.07 0.00 -7.48 0.04 0.00 -1.06 -3.43 103.07 92.20 1f66 h GLY 892 Ca -0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 1f66 h GLY 892 CO 0.02 0.00 -0.58 -0.35 0.00 0.00 0.00 176.54 175.63 1f66 s ASP 893 N -5.92 5.41 0.24 0.19 2.15 -1.02 -5.02 116.67 112.71 1f66 s ASP 893 Ca 0.04 -0.42 -0.10 0.00 0.43 0.00 0.00 52.55 52.49 1f66 s ASP 893 Cb 0.07 -1.97 0.37 0.00 -0.30 0.00 0.00 42.92 41.09 1f66 s ASP 893 CO 0.60 -0.14 1.62 -0.33 -0.17 0.00 0.00 175.17 176.74 1f66 h GLU 894 N 8.31 0.04 -0.27 4.34 5.08 -1.85 -0.53 114.58 129.70 1f66 h GLU 894 Ca -0.34 -0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.85 1f66 h GLU 894 Cb 1.15 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1f66 h GLU 894 CO 0.60 0.03 -0.49 0.93 -1.00 0.00 0.00 179.01 179.07 1f66 h GLU 895 N 0.04 0.82 -0.50 2.33 5.08 -1.95 -1.98 114.58 118.42 1f66 h GLU 895 Ca 0.38 -0.51 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 1f66 h GLU 895 Cb 0.63 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1f66 h GLU 895 CO -0.72 1.14 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.27 1f66 h LEU 896 N 0.58 0.91 -0.62 1.33 3.38 -1.74 -0.35 115.31 118.80 1f66 h LEU 896 Ca 0.02 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1f66 h LEU 896 Cb 1.10 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 1f66 h LEU 896 CO 0.11 1.02 0.40 -0.78 0.09 0.00 0.00 178.44 179.28 1f66 h ASP 897 N 0.82 0.72 -0.50 -0.43 3.58 -0.96 0.19 116.42 119.85 1f66 h ASP 897 Ca 0.13 -0.03 -0.10 0.00 0.42 0.00 0.00 57.03 57.46 1f66 h ASP 897 Cb 0.62 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 1f66 h ASP 897 CO 0.04 0.54 -0.07 -1.28 -2.88 0.00 0.00 179.24 175.59 1f66 h SER 898 N 0.84 0.92 0.37 2.28 0.87 -1.02 -3.22 113.55 114.59 1f66 h SER 898 Ca 0.23 -0.34 -0.19 0.00 -1.23 0.00 0.00 61.79 60.26 1f66 h SER 898 Cb -0.08 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.63 1f66 h SER 898 CO -0.05 1.05 -0.77 0.25 -0.53 0.00 0.00 176.83 176.78 1f66 h LEU 899 N 0.78 0.39 -7.66 2.23 5.85 -0.75 -3.41 115.31 112.75 1f66 h LEU 899 Ca 0.13 -0.27 -0.75 0.00 0.84 0.00 0.00 57.88 57.83 1f66 h LEU 899 Cb 0.62 -0.12 -0.31 0.00 0.37 0.00 0.00 40.66 41.22 1f66 h LEU 899 CO 0.04 1.02 -0.06 -0.63 -0.34 0.00 0.00 178.44 178.47 1f66 s ILE 900 N -3.49 4.82 -0.49 4.05 1.01 0.64 -4.89 121.20 122.84 1f66 s ILE 900 Ca -0.05 -2.87 0.24 0.00 0.00 0.00 0.00 60.65 57.97 1f66 s ILE 900 Cb 0.10 -4.02 0.19 0.00 0.01 0.00 0.00 42.46 38.74 1f66 s ILE 900 CO 0.83 -0.99 1.45 0.11 0.00 0.00 0.00 174.94 176.34 1f66 h LYS 901 N 7.23 0.00 -6.53 2.79 1.79 -1.81 -3.45 116.57 116.59 1f66 h LYS 901 Ca 0.07 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.98 1f66 h LYS 901 Cb 0.97 0.00 0.19 0.00 -1.58 0.00 0.00 32.23 31.81 1f66 h LYS 901 CO 0.76 0.00 -0.54 0.00 -1.08 0.00 0.00 179.45 178.59 1f66 n ALA 902 N -2.00 -1.79 -2.38 3.86 0.00 -1.26 -4.94 120.51 111.99 1f66 n ALA 902 Ca 0.03 -0.20 -0.40 0.00 0.00 0.00 0.00 53.44 52.87 1f66 n ALA 902 Cb 0.50 -1.77 -0.05 0.00 0.00 0.00 0.00 19.45 18.13 1f66 n ALA 902 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1f66 s THR 903 N -1.89 4.71 -0.40 0.00 2.01 -1.26 -5.02 115.64 113.78 1f66 s THR 903 Ca 0.64 1.65 -0.09 0.00 0.31 0.00 0.00 61.69 64.20 1f66 s THR 903 Cb -0.37 -4.13 0.07 0.00 0.01 0.00 0.00 72.50 68.08 1f66 s THR 903 CO 0.59 0.37 0.24 -0.63 -0.69 0.00 0.00 174.62 174.50 1f66 s ILE 904 N -0.08 4.27 0.23 1.82 1.01 -1.26 -5.05 121.20 122.15 1f66 s ILE 904 Ca 0.39 -1.27 -0.32 0.00 0.00 0.00 0.00 60.65 59.45 1f66 s ILE 904 Cb -0.21 -3.56 -0.12 0.00 0.01 0.00 0.00 42.46 38.59 1f66 s ILE 904 CO 0.23 -0.43 1.67 0.00 0.00 0.00 0.00 174.94 176.41 1f66 n ALA 905 N 4.93 2.60 -0.99 9.38 0.00 -1.26 -1.76 120.51 133.40 1f66 n ALA 905 Ca -0.11 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1f66 n ALA 905 Cb 0.44 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.40 1f66 n ALA 905 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f66 n GLY 906 N 3.30 0.60 0.14 0.00 0.00 -1.26 -4.84 105.19 103.13 1f66 n GLY 906 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1f66 n GLY 906 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f66 n GLY 907 N -2.80 -0.83 7.00 -0.02 0.00 -0.72 -3.59 105.19 104.22 1f66 n GLY 907 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1f66 n GLY 907 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f66 n GLY 908 N 1.45 0.95 3.51 -0.02 0.00 -1.26 -4.63 105.19 105.18 1f66 n GLY 908 Ca 0.07 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 1f66 n GLY 908 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1f66 s VAL 909 N 0.00 1.16 -0.15 1.61 -7.23 -1.26 -5.03 120.40 109.51 1f66 s VAL 909 Ca 0.00 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.88 1f66 s VAL 909 Cb 0.00 -2.68 -0.01 0.00 0.56 0.00 0.00 36.38 34.25 1f66 s VAL 909 CO 0.00 0.00 1.00 -0.63 -0.31 0.00 0.00 175.10 175.16 1f66 s ILE 910 N -3.18 4.76 0.27 -0.62 -1.09 -1.26 -4.99 121.20 115.10 1f66 s ILE 910 Ca 0.31 2.00 -0.30 0.00 -2.23 0.00 0.00 60.65 60.43 1f66 s ILE 910 Cb 0.07 -4.30 -0.13 0.00 -1.58 0.00 0.00 42.46 36.53 1f66 s ILE 910 CO 0.15 -0.05 1.47 -2.65 -1.23 0.00 0.00 174.94 172.63 1f66 n PRO 911 N 5.40 2.31 -3.64 2.79 -0.02 -1.26 -4.98 135.00 135.61 1f66 n PRO 911 Ca 0.09 0.82 -0.05 0.00 -2.02 0.00 0.00 63.50 62.34 1f66 n PRO 911 Cb 0.48 -2.52 -0.07 0.00 -0.02 0.00 0.00 33.50 31.37 1f66 n PRO 911 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1f66 s HIS 912 N -0.13 -0.69 -0.08 6.00 2.46 -1.26 -5.16 115.29 116.43 1f66 s HIS 912 Ca 0.65 1.43 0.01 0.00 0.47 0.00 0.00 55.06 57.62 1f66 s HIS 912 Cb -0.58 0.42 0.02 0.00 -0.13 0.00 0.00 32.58 32.30 1f66 s HIS 912 CO 0.50 -0.34 -0.10 0.42 -2.47 0.00 0.00 174.74 172.76 1f66 s ILE 913 N 1.18 1.01 0.25 0.89 1.01 -1.26 -5.12 121.20 119.16 1f66 s ILE 913 Ca -0.07 -0.36 -0.31 0.00 0.00 0.00 0.00 60.65 59.91 1f66 s ILE 913 Cb -0.04 -0.97 -0.11 0.00 0.01 0.00 0.00 42.46 41.35 1f66 s ILE 913 CO -0.14 0.34 1.61 -1.00 0.00 0.00 0.00 174.94 175.75 1f66 s HIS 914 N 1.04 2.85 0.43 3.97 3.76 -1.26 -4.88 115.29 121.19 1f66 s HIS 914 Ca -0.08 0.67 0.21 0.00 -0.15 0.00 0.00 55.06 55.71 1f66 s HIS 914 Cb -0.15 -4.05 1.17 0.00 1.11 0.00 0.00 32.58 30.66 1f66 s HIS 914 CO -0.01 -3.69 1.80 0.87 -0.85 0.00 0.00 174.74 172.86 1f66 h LYS 915 N 5.58 0.32 0.00 1.40 1.57 -1.99 0.86 116.57 124.31 1f66 h LYS 915 Ca -0.45 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1f66 h LYS 915 Cb 1.21 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1f66 h LYS 915 CO 0.85 0.21 0.00 -1.13 -0.57 0.00 0.00 179.45 178.81 1f66 n SER 916 N -4.54 0.00 -0.00 0.86 3.41 -1.26 -2.72 113.62 109.37 1f66 n SER 916 Ca 0.24 -0.73 0.09 0.00 -0.26 0.00 0.00 58.87 58.21 1f66 n SER 916 Cb 0.89 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.73 1f66 n SER 916 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1f66 n LEU 917 N -0.98 0.61 -0.34 1.04 4.77 0.29 -5.29 117.00 117.10 1f66 n LEU 917 Ca 0.16 -0.35 0.15 0.00 -0.03 0.00 0.00 56.01 55.94 1f66 n LEU 917 Cb 0.07 0.00 0.65 0.00 -2.33 0.00 0.00 43.42 41.82 1f66 n LEU 917 CO 0.12 0.15 0.94 -0.38 -1.33 0.00 0.00 177.39 176.90