#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3i n THR 816 N 0.00 2.35 0.20 3.15 -2.24 -1.26 -4.78 114.28 111.70 1p3i n THR 816 Ca 0.00 -0.43 0.05 0.00 -2.27 0.00 0.00 64.05 61.40 1p3i n THR 816 Cb 0.00 -0.84 0.43 0.00 -2.10 0.00 0.00 70.33 67.82 1p3i n THR 816 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1p3i h ARG 817 N -0.10 0.00 -0.61 -0.78 3.08 -1.99 -1.57 114.38 112.42 1p3i h ARG 817 Ca -0.46 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.52 1p3i h ARG 817 Cb 1.36 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.38 1p3i h ARG 817 CO 0.45 0.32 0.12 0.77 -1.07 0.00 0.00 179.97 180.56 1p3i h SER 818 N 0.00 0.92 -0.06 7.04 0.02 -1.87 -1.34 113.55 118.27 1p3i h SER 818 Ca -0.00 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 1p3i h SER 818 Cb 0.65 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 1p3i h SER 818 CO 0.04 0.91 0.02 -1.28 -1.14 0.00 0.00 176.83 175.38 1p3i h SER 819 N 0.93 0.09 -0.30 3.07 0.87 -1.53 0.83 113.55 117.50 1p3i h SER 819 Ca 0.19 -0.23 0.04 0.00 -1.23 0.00 0.00 61.79 60.56 1p3i h SER 819 Cb 0.37 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 1p3i h SER 819 CO 0.01 0.29 0.21 0.03 -0.53 0.00 0.00 176.83 176.84 1p3i h ARG 820 N -0.12 0.25 -0.01 2.24 3.08 -1.15 -1.53 114.38 117.14 1p3i h ARG 820 Ca 0.02 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1p3i h ARG 820 Cb 0.24 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1p3i h ARG 820 CO 0.00 0.16 -0.18 0.00 -1.07 0.00 0.00 179.97 178.88 1p3i n ALA 821 N -2.53 2.92 -2.82 0.04 0.00 -0.52 -4.96 120.51 112.65 1p3i n ALA 821 Ca 0.03 -0.49 -0.11 0.00 0.00 0.00 0.00 53.44 52.87 1p3i n ALA 821 Cb 0.19 -1.05 0.03 0.00 0.00 0.00 0.00 19.45 18.61 1p3i n ALA 821 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p3i n GLY 822 N 1.30 0.21 3.40 0.00 0.00 -0.49 -5.04 105.19 104.58 1p3i n GLY 822 Ca 0.14 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 1p3i n GLY 822 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p3i s LEU 823 N -3.62 2.39 -0.10 0.99 1.43 0.16 -5.03 118.68 114.90 1p3i s LEU 823 Ca 0.21 -0.82 -0.05 0.00 -1.03 0.00 0.00 54.13 52.44 1p3i s LEU 823 Cb -0.09 -1.16 -0.26 0.00 0.03 0.00 0.00 46.19 44.71 1p3i s LEU 823 CO 0.26 0.13 0.45 1.56 0.23 0.00 0.00 176.35 178.98 1p3i h GLN 824 N 3.48 0.25 -7.01 1.70 1.08 -1.95 -3.40 115.11 109.26 1p3i h GLN 824 Ca -0.48 -0.43 -0.51 0.00 -1.45 0.00 0.00 58.65 55.78 1p3i h GLN 824 Cb 1.19 0.16 0.08 0.00 -0.05 0.00 0.00 27.48 28.86 1p3i h GLN 824 CO 0.45 1.15 0.51 -0.06 -0.95 0.00 0.00 178.83 179.92 1p3i s PHE 825 N -2.57 2.77 -0.55 2.96 0.40 -1.26 -4.95 117.98 114.78 1p3i s PHE 825 Ca -0.19 1.51 -0.27 0.00 -0.60 0.00 0.00 56.93 57.37 1p3i s PHE 825 Cb 0.07 -3.45 -0.01 0.00 0.51 0.00 0.00 43.02 40.13 1p3i s PHE 825 CO 0.79 -1.75 1.76 -1.25 0.70 0.00 0.00 175.22 175.46 1p3i s PRO 826 N -2.74 2.90 0.10 0.24 0.04 -1.26 -4.78 135.00 129.49 1p3i s PRO 826 Ca 0.65 0.73 -0.19 0.00 0.04 0.00 0.00 61.00 62.23 1p3i s PRO 826 Cb -0.31 -4.30 -0.06 0.00 0.04 0.00 0.00 34.50 29.87 1p3i s PRO 826 CO 0.37 -2.41 1.64 0.28 0.04 0.00 0.00 177.00 176.92 1p3i h VAL 827 N 6.76 1.18 -0.46 -0.36 2.07 -1.90 -2.03 116.25 121.50 1p3i h VAL 827 Ca -0.28 -0.54 0.08 0.00 0.82 0.00 0.00 66.70 66.79 1p3i h VAL 827 Cb 1.15 1.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.91 1p3i h VAL 827 CO 1.18 0.18 0.06 1.23 0.02 0.00 0.00 177.57 180.23 1p3i h GLY 828 N 0.26 0.53 0.88 2.17 0.00 -1.94 -0.64 103.07 104.33 1p3i h GLY 828 Ca 0.08 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 1p3i h GLY 828 CO -0.01 -0.08 0.06 -0.09 0.00 0.00 0.00 176.54 176.42 1p3i h ARG 829 N 0.18 0.25 -0.83 4.80 2.43 -1.95 -2.18 114.38 117.07 1p3i h ARG 829 Ca 0.23 -0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.45 1p3i h ARG 829 Cb 0.32 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.75 1p3i h ARG 829 CO -0.33 0.33 0.47 0.28 -1.51 0.00 0.00 179.97 179.21 1p3i h VAL 830 N 0.11 0.90 -0.22 0.20 2.07 -0.90 0.19 116.25 118.59 1p3i h VAL 830 Ca 0.05 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.32 1p3i h VAL 830 Cb 0.18 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 1p3i h VAL 830 CO -0.00 0.14 0.10 -0.74 0.02 0.00 0.00 177.57 177.09 1p3i h HIS 831 N 0.78 0.19 -0.19 1.57 -0.00 -0.94 0.36 115.15 116.93 1p3i h HIS 831 Ca 0.40 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.78 1p3i h HIS 831 Cb 0.39 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.73 1p3i h HIS 831 CO -0.06 0.11 0.12 -0.09 -0.00 0.00 0.00 177.93 178.01 1p3i h ARG 832 N 0.22 0.25 -0.47 5.26 2.43 -0.63 -2.03 114.38 119.40 1p3i h ARG 832 Ca 0.09 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1p3i h ARG 832 Cb 0.03 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1p3i h ARG 832 CO -0.07 0.17 0.23 -0.07 -1.51 0.00 0.00 179.97 178.72 1p3i h LEU 833 N 0.25 0.59 -1.23 3.80 3.38 -0.41 -1.35 115.31 120.34 1p3i h LEU 833 Ca 0.07 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1p3i h LEU 833 Cb -0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1p3i h LEU 833 CO -0.01 0.50 -0.37 -0.07 0.09 0.00 0.00 178.44 178.58 1p3i h LEU 834 N 0.66 0.03 0.07 1.67 3.38 -0.27 -2.03 115.31 118.83 1p3i h LEU 834 Ca 0.17 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 1p3i h LEU 834 Cb 0.07 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.83 1p3i h LEU 834 CO -0.02 0.40 -0.59 0.03 0.09 0.00 0.00 178.44 178.35 1p3i h ARG 835 N 0.03 0.27 0.00 1.13 3.08 -0.61 -3.29 114.38 114.99 1p3i h ARG 835 Ca 0.00 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.66 1p3i h ARG 835 Cb 0.66 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1p3i h ARG 835 CO 0.05 1.14 0.00 1.57 -1.07 0.00 0.00 179.97 181.66 1p3i h LYS 836 N -0.41 0.00 0.00 0.04 2.10 -1.32 -1.75 116.57 115.24 1p3i h LYS 836 Ca -0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 1p3i h LYS 836 Cb 1.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.73 1p3i h LYS 836 CO 0.11 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.97 1p3i n GLY 837 N 0.36 -1.35 3.75 0.07 0.00 -0.77 -4.91 105.19 102.33 1p3i n GLY 837 Ca 0.03 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 1p3i n GLY 837 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1p3i n ASN 838 N -1.58 -4.58 0.12 1.61 5.15 -0.66 -4.90 115.26 110.43 1p3i n ASN 838 Ca 0.06 -1.04 0.12 0.00 -0.60 0.00 0.00 54.58 53.11 1p3i n ASN 838 Cb 0.29 -3.19 0.05 0.00 -0.53 0.00 0.00 39.78 36.40 1p3i n ASN 838 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1p3i h TYR 839 N -1.96 0.00 -2.41 1.20 -1.99 -1.81 -3.48 116.97 106.51 1p3i h TYR 839 Ca -0.67 0.00 0.14 0.00 2.00 0.00 0.00 58.73 60.20 1p3i h TYR 839 Cb 1.37 0.00 -0.10 0.00 2.00 0.00 0.00 36.73 39.99 1p3i h TYR 839 CO 0.36 0.00 0.45 0.00 -0.00 0.00 0.00 178.16 178.97 1p3i s ALA 840 N -3.31 -1.68 0.10 3.88 0.00 -1.26 -5.05 121.76 114.44 1p3i s ALA 840 Ca 0.02 0.41 -0.22 0.00 0.00 0.00 0.00 51.96 52.16 1p3i s ALA 840 Cb 0.09 0.60 -0.11 0.00 0.00 0.00 0.00 23.12 23.70 1p3i s ALA 840 CO 0.76 -0.91 1.73 0.93 0.00 0.00 0.00 175.76 178.28 1p3i h GLU 841 N 2.00 0.02 -5.19 0.00 4.39 -2.00 -3.45 114.58 110.36 1p3i h GLU 841 Ca -0.24 -0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.09 1p3i h GLU 841 Cb 1.24 -0.01 -0.18 0.00 -0.10 0.00 0.00 28.75 29.71 1p3i h GLU 841 CO 0.28 0.02 -0.74 1.03 -1.16 0.00 0.00 179.01 178.43 1p3i s ARG 842 N -6.19 0.94 -0.18 2.33 0.52 -1.26 -5.13 118.95 109.98 1p3i s ARG 842 Ca -0.13 -1.21 0.01 0.00 -0.52 0.00 0.00 55.73 53.88 1p3i s ARG 842 Cb 0.07 -0.72 0.03 0.00 0.52 0.00 0.00 34.95 34.86 1p3i s ARG 842 CO 0.67 0.13 -0.12 0.08 0.02 0.00 0.00 175.30 176.07 1p3i s VAL 843 N -2.32 1.64 0.59 3.52 1.01 -1.26 -5.09 120.40 118.49 1p3i s VAL 843 Ca 0.07 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 61.01 1p3i s VAL 843 Cb -0.04 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 1p3i s VAL 843 CO 0.02 0.30 1.15 -0.83 0.00 0.00 0.00 175.10 175.73 1p3i s GLY 844 N 1.42 2.53 0.56 4.51 0.00 -1.26 -4.93 107.32 110.16 1p3i s GLY 844 Ca 0.01 0.81 0.26 0.00 0.00 0.00 0.00 44.72 45.80 1p3i s GLY 844 CO -0.09 1.18 2.05 0.00 0.00 0.00 0.00 173.10 176.23 1p3i h ALA 845 N 0.77 2.15 0.00 3.20 0.00 -2.04 -2.15 119.26 121.19 1p3i h ALA 845 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1p3i h ALA 845 Cb 1.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1p3i h ALA 845 CO 0.55 -0.44 -0.22 0.41 0.00 0.00 0.00 179.25 179.55 1p3i n GLY 846 N -1.53 -1.49 0.16 0.00 0.00 -1.26 -4.16 105.19 96.91 1p3i n GLY 846 Ca 0.05 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 1p3i n GLY 846 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p3i h ALA 847 N 2.78 -0.31 -0.13 4.61 0.00 -1.76 -1.78 119.26 122.68 1p3i h ALA 847 Ca 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1p3i h ALA 847 Cb 0.61 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1p3i h ALA 847 CO 0.00 -0.58 -0.02 -1.00 0.00 0.00 0.00 179.25 177.65 1p3i h PRO 848 N -0.49 0.18 0.13 0.00 0.13 -1.74 0.11 132.00 130.32 1p3i h PRO 848 Ca -0.03 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 1p3i h PRO 848 Cb 0.37 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.46 1p3i h PRO 848 CO 0.05 0.22 -0.06 0.28 -0.23 0.00 0.00 178.00 178.26 1p3i h VAL 849 N 0.18 1.05 -0.08 1.56 2.07 -1.71 0.11 116.25 119.42 1p3i h VAL 849 Ca 0.04 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 1p3i h VAL 849 Cb 0.16 1.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1p3i h VAL 849 CO 0.00 0.20 0.04 0.22 0.02 0.00 0.00 177.57 178.06 1p3i h TYR 850 N -0.58 0.12 -0.76 1.57 3.20 -1.05 -1.22 116.97 118.25 1p3i h TYR 850 Ca -0.02 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1p3i h TYR 850 Cb 0.45 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.65 1p3i h TYR 850 CO 0.05 0.17 0.42 1.25 -1.64 0.00 0.00 178.16 178.41 1p3i h LEU 851 N 0.03 0.94 -1.25 2.82 5.85 -0.78 -1.38 115.31 121.54 1p3i h LEU 851 Ca 0.03 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 1p3i h LEU 851 Cb 0.09 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1p3i h LEU 851 CO -0.00 0.76 0.06 0.00 -0.34 0.00 0.00 178.44 178.92 1p3i h ALA 852 N 1.22 1.39 -0.18 1.25 0.00 -0.57 -2.11 119.26 120.25 1p3i h ALA 852 Ca 0.27 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1p3i h ALA 852 Cb 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1p3i h ALA 852 CO -0.04 0.43 0.05 0.00 0.00 0.00 0.00 179.25 179.69 1p3i h ALA 853 N 1.51 0.24 -0.44 0.00 0.00 -0.32 -1.29 119.26 118.96 1p3i h ALA 853 Ca 0.13 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1p3i h ALA 853 Cb 0.27 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1p3i h ALA 853 CO 0.00 -0.13 0.27 0.28 0.00 0.00 0.00 179.25 179.67 1p3i h VAL 854 N 0.12 1.13 -0.77 0.00 2.07 -1.01 -1.13 116.25 116.65 1p3i h VAL 854 Ca 0.06 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1p3i h VAL 854 Cb 0.24 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1p3i h VAL 854 CO -0.00 0.13 0.35 -0.07 0.02 0.00 0.00 177.57 178.00 1p3i h LEU 855 N 0.58 1.01 -0.54 2.57 3.38 -1.30 -0.53 115.31 120.49 1p3i h LEU 855 Ca 0.16 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1p3i h LEU 855 Cb -0.02 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1p3i h LEU 855 CO -0.03 0.87 -0.10 -0.08 0.09 0.00 0.00 178.44 179.19 1p3i h GLU 856 N 1.10 1.02 -0.05 1.13 4.81 -0.91 -1.44 114.58 120.23 1p3i h GLU 856 Ca 0.26 -0.38 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1p3i h GLU 856 Cb 0.14 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 1p3i h GLU 856 CO -0.03 1.06 0.02 -0.92 -0.73 0.00 0.00 179.01 178.41 1p3i h TYR 857 N 0.89 0.09 -0.57 0.92 3.20 -0.46 -0.68 116.97 120.36 1p3i h TYR 857 Ca 0.14 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 1p3i h TYR 857 Cb 0.67 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.88 1p3i h TYR 857 CO 0.05 0.27 0.33 -0.07 -1.64 0.00 0.00 178.16 177.09 1p3i h LEU 858 N -0.12 0.68 -0.61 2.82 3.38 -1.09 -0.06 115.31 120.31 1p3i h LEU 858 Ca 0.02 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 1p3i h LEU 858 Cb 0.22 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1p3i h LEU 858 CO -0.00 0.54 -0.28 0.74 0.09 0.00 0.00 178.44 179.54 1p3i h THR 859 N 0.79 1.28 -0.60 0.22 2.02 -0.95 -2.11 112.91 113.56 1p3i h THR 859 Ca 0.20 -1.42 -0.09 0.00 0.77 0.00 0.00 66.41 65.88 1p3i h THR 859 Cb -0.00 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1p3i h THR 859 CO -0.04 0.47 0.03 0.00 0.37 0.00 0.00 175.52 176.35 1p3i h ALA 860 N 1.00 0.80 -0.24 6.16 0.00 -0.45 -1.18 119.26 125.35 1p3i h ALA 860 Ca 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1p3i h ALA 860 Cb 0.81 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1p3i h ALA 860 CO 0.07 0.61 0.10 1.49 0.00 0.00 0.00 179.25 181.52 1p3i h GLU 861 N 0.93 0.36 -0.14 0.00 4.57 -0.84 -0.67 114.58 118.79 1p3i h GLU 861 Ca 0.17 -0.06 -0.17 0.00 -1.18 0.00 0.00 59.36 58.12 1p3i h GLU 861 Cb 0.52 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1p3i h GLU 861 CO 0.03 0.39 -0.64 0.97 -1.18 0.00 0.00 179.01 178.58 1p3i h ILE 862 N 0.24 1.34 -0.22 2.32 2.10 -1.35 -2.72 117.51 119.23 1p3i h ILE 862 Ca 0.08 -1.95 -0.12 0.00 1.08 0.00 0.00 64.86 63.95 1p3i h ILE 862 Cb 0.17 1.93 -0.01 0.00 -1.09 0.00 0.00 36.82 37.81 1p3i h ILE 862 CO -0.01 0.60 -0.37 -0.07 -1.08 0.00 0.00 178.15 177.22 1p3i h LEU 863 N 0.37 0.52 0.52 2.19 3.38 -1.13 0.23 115.31 121.39 1p3i h LEU 863 Ca -0.01 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1p3i h LEU 863 Cb 1.20 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.81 1p3i h LEU 863 CO 0.12 0.84 -0.25 -0.08 0.09 0.00 0.00 178.44 179.16 1p3i h GLU 864 N 0.42 -0.68 -0.52 1.13 4.57 -1.05 0.88 114.58 119.32 1p3i h GLU 864 Ca 0.04 0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.21 1p3i h GLU 864 Cb 0.83 0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.55 1p3i h GLU 864 CO 0.07 -0.45 0.10 -0.07 -1.18 0.00 0.00 179.01 177.48 1p3i h LEU 865 N -0.71 0.77 -0.34 1.64 3.38 -1.30 -2.33 115.31 116.42 1p3i h LEU 865 Ca -0.07 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.61 1p3i h LEU 865 Cb 0.54 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1p3i h LEU 865 CO 0.12 0.78 -0.33 0.00 0.09 0.00 0.00 178.44 179.10 1p3i h ALA 866 N 1.32 0.49 -0.98 1.53 0.00 -0.38 -1.85 119.26 119.39 1p3i h ALA 866 Ca 0.17 -0.42 0.06 0.00 0.00 0.00 0.00 54.91 54.71 1p3i h ALA 866 Cb 0.33 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 1p3i h ALA 866 CO 0.00 0.55 0.63 0.78 0.00 0.00 0.00 179.25 181.21 1p3i h GLY 867 N 0.60 1.49 0.94 0.00 0.00 -0.67 0.65 103.07 106.07 1p3i h GLY 867 Ca 0.05 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 1p3i h GLY 867 CO 0.08 0.34 0.15 3.43 0.00 0.00 0.00 176.54 180.54 1p3i h ASN 868 N 1.16 0.58 -0.21 0.19 2.35 -1.16 -0.37 115.58 118.11 1p3i h ASN 868 Ca 0.42 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.97 1p3i h ASN 868 Cb 0.15 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1p3i h ASN 868 CO -0.17 0.60 0.08 0.00 -1.65 0.00 0.00 177.43 176.29 1p3i h ALA 869 N 1.00 1.65 -0.19 -0.83 0.00 -0.42 0.16 119.26 120.62 1p3i h ALA 869 Ca 0.14 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1p3i h ALA 869 Cb 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1p3i h ALA 869 CO -0.01 0.27 -0.56 0.00 0.00 0.00 0.00 179.25 178.96 1p3i h ALA 870 N 1.72 0.33 -0.57 0.00 0.00 -0.55 -2.77 119.26 117.41 1p3i h ALA 870 Ca 0.09 -0.52 0.02 0.00 0.00 0.00 0.00 54.91 54.50 1p3i h ALA 870 Cb 0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1p3i h ALA 870 CO -0.01 0.55 0.36 -0.09 0.00 0.00 0.00 179.25 180.06 1p3i h ARG 871 N 0.43 0.71 0.00 0.00 2.43 0.44 -0.29 114.38 118.09 1p3i h ARG 871 Ca -0.01 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1p3i h ARG 871 Cb 1.18 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1p3i h ARG 871 CO 0.12 0.47 -0.06 -0.44 -1.51 0.00 0.00 179.97 178.55 1p3i h ASP 872 N 0.73 0.00 -0.61 -3.80 3.32 -0.72 -0.07 116.42 115.27 1p3i h ASP 872 Ca 0.22 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.22 1p3i h ASP 872 Cb -0.03 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1p3i h ASP 872 CO -0.07 0.06 0.06 0.59 -1.72 0.00 0.00 179.24 178.16 1p3i n ASN 873 N -3.68 5.50 -3.89 6.45 4.13 -0.67 -4.93 115.26 118.16 1p3i n ASN 873 Ca -0.02 -2.98 -0.28 0.00 1.68 0.00 0.00 54.58 52.98 1p3i n ASN 873 Cb 0.16 -0.70 0.02 0.00 -1.54 0.00 0.00 39.78 37.72 1p3i n ASN 873 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1p3i n LYS 874 N 0.45 -4.81 -4.42 3.52 5.02 -0.04 -4.98 118.16 112.90 1p3i n LYS 874 Ca 0.30 0.55 -0.22 0.00 -2.02 0.00 0.00 58.31 56.93 1p3i n LYS 874 Cb 1.23 -5.23 -0.10 0.00 -0.02 0.00 0.00 35.03 30.91 1p3i n LYS 874 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1p3i s LYS 875 N -6.46 1.54 -0.02 1.97 -0.14 -0.21 -5.02 119.74 111.40 1p3i s LYS 875 Ca 0.40 -1.72 0.08 0.00 -1.36 0.00 0.00 55.97 53.37 1p3i s LYS 875 Cb -0.20 -1.45 -0.12 0.00 -1.68 0.00 0.00 37.83 34.38 1p3i s LYS 875 CO 0.84 0.23 0.16 2.41 -0.76 0.00 0.00 175.35 178.23 1p3i n THR 876 N -0.54 0.06 -3.91 2.17 -1.04 -1.26 -3.91 114.28 105.85 1p3i n THR 876 Ca -0.06 -0.20 -0.36 0.00 -2.04 0.00 0.00 64.05 61.40 1p3i n THR 876 Cb 0.61 0.19 -0.13 0.00 -1.82 0.00 0.00 70.33 69.18 1p3i n THR 876 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1p3i s ARG 877 N -2.51 3.61 0.07 -2.82 3.52 -1.26 -5.06 118.95 114.50 1p3i s ARG 877 Ca -0.03 -0.51 -0.31 0.00 -0.13 0.00 0.00 55.73 54.75 1p3i s ARG 877 Cb 0.05 -3.18 -0.07 0.00 -1.56 0.00 0.00 34.95 30.19 1p3i s ARG 877 CO 0.33 -0.10 1.35 0.42 -0.81 0.00 0.00 175.30 176.50 1p3i s ILE 878 N 1.31 3.57 0.40 4.11 1.01 -1.26 -4.98 121.20 125.36 1p3i s ILE 878 Ca 0.04 1.09 0.07 0.00 0.00 0.00 0.00 60.65 61.85 1p3i s ILE 878 Cb -0.15 -3.70 -0.08 0.00 0.01 0.00 0.00 42.46 38.55 1p3i s ILE 878 CO 0.02 0.06 -0.00 0.27 0.00 0.00 0.00 174.94 175.29 1p3i s ILE 879 N 1.46 2.06 0.26 2.92 -4.36 -1.26 -5.03 121.20 117.25 1p3i s ILE 879 Ca 0.63 -2.02 -0.03 0.00 -0.26 0.00 0.00 60.65 58.97 1p3i s ILE 879 Cb -0.34 -2.94 0.26 0.00 1.25 0.00 0.00 42.46 40.69 1p3i s ILE 879 CO 0.29 -0.04 1.68 -0.65 0.24 0.00 0.00 174.94 176.46 1p3i h PRO 880 N 1.80 0.27 -1.00 0.37 0.11 -1.88 -0.64 132.00 131.04 1p3i h PRO 880 Ca -0.44 -0.02 0.20 0.00 0.11 0.00 0.00 66.00 65.86 1p3i h PRO 880 Cb 1.24 -0.06 -0.10 0.00 0.11 0.00 0.00 31.00 32.19 1p3i h PRO 880 CO 0.79 0.18 0.61 -0.09 -0.21 0.00 0.00 178.00 179.28 1p3i h ARG 881 N 0.28 0.68 -0.38 1.05 2.43 -1.80 0.32 114.38 116.96 1p3i h ARG 881 Ca 0.46 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.49 1p3i h ARG 881 Cb 0.82 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 1p3i h ARG 881 CO -0.54 0.45 -0.17 0.45 -1.51 0.00 0.00 179.97 178.64 1p3i h HIS 882 N 0.70 0.78 -0.68 2.20 -0.00 -1.46 0.76 115.15 117.45 1p3i h HIS 882 Ca 0.57 -0.16 -0.07 0.00 -0.00 0.00 0.00 60.37 60.72 1p3i h HIS 882 Cb 0.98 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 28.17 1p3i h HIS 882 CO -0.00 0.83 0.17 -0.07 -0.00 0.00 0.00 177.93 178.85 1p3i h LEU 883 N 0.63 1.01 -0.22 2.43 3.38 -0.88 -0.47 115.31 121.20 1p3i h LEU 883 Ca 0.10 -0.21 -0.19 0.00 0.09 0.00 0.00 57.88 57.67 1p3i h LEU 883 Cb 0.64 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.13 1p3i h LEU 883 CO 0.05 0.97 -0.62 -0.61 0.09 0.00 0.00 178.44 178.32 1p3i h GLN 884 N 1.02 0.81 -0.78 1.13 5.75 -0.60 -1.10 115.11 121.34 1p3i h GLN 884 Ca 0.21 -0.58 -0.03 0.00 -0.15 0.00 0.00 58.65 58.11 1p3i h GLN 884 Cb 0.36 0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.96 1p3i h GLN 884 CO 0.00 1.20 0.37 -0.07 -2.65 0.00 0.00 178.83 177.68 1p3i h LEU 885 N 0.56 1.03 0.17 -2.39 3.38 -0.61 0.32 115.31 117.77 1p3i h LEU 885 Ca -0.02 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1p3i h LEU 885 Cb 1.24 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1p3i h LEU 885 CO 0.13 0.88 -0.08 0.00 0.09 0.00 0.00 178.44 179.46 1p3i h ALA 886 N 1.19 -0.23 -0.48 1.53 0.00 -0.98 -2.11 119.26 118.18 1p3i h ALA 886 Ca 0.27 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1p3i h ALA 886 Cb 0.13 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1p3i h ALA 886 CO -0.03 -0.51 -0.05 0.28 0.00 0.00 0.00 179.25 178.94 1p3i h VAL 887 N -0.48 1.27 0.00 0.00 2.07 -1.10 -3.06 116.25 114.95 1p3i h VAL 887 Ca -0.02 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 1p3i h VAL 887 Cb 0.37 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1p3i h VAL 887 CO 0.04 0.40 -0.14 0.03 0.02 0.00 0.00 177.57 177.92 1p3i h ARG 888 N 0.74 0.00 -0.01 1.57 2.47 -0.98 -2.54 114.38 115.63 1p3i h ARG 888 Ca 0.13 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 1p3i h ARG 888 Cb 0.58 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.90 1p3i h ARG 888 CO 0.03 0.14 -0.19 0.09 0.56 0.00 0.00 179.97 180.61 1p3i n ASN 889 N -3.20 0.83 -4.28 7.04 3.02 -0.80 -4.74 115.26 113.12 1p3i n ASN 889 Ca 0.02 -0.79 -0.37 0.00 -0.03 0.00 0.00 54.58 53.41 1p3i n ASN 889 Cb 0.46 0.05 -0.13 0.00 -0.61 0.00 0.00 39.78 39.55 1p3i n ASN 889 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1p3i s ASP 890 N -2.47 5.07 0.29 6.41 2.15 -1.13 -5.02 116.67 121.97 1p3i s ASP 890 Ca 0.27 -0.97 0.01 0.00 0.43 0.00 0.00 52.55 52.29 1p3i s ASP 890 Cb 0.20 -1.83 0.69 0.00 -0.30 0.00 0.00 42.92 41.68 1p3i s ASP 890 CO 0.49 -0.25 1.64 -0.08 -0.17 0.00 0.00 175.17 176.81 1p3i h GLU 891 N 8.17 0.17 0.19 4.34 4.81 -1.85 0.26 114.58 130.67 1p3i h GLU 891 Ca -0.27 -0.01 -0.32 0.00 -0.13 0.00 0.00 59.36 58.63 1p3i h GLU 891 Cb 1.10 -0.04 0.03 0.00 0.63 0.00 0.00 28.75 30.47 1p3i h GLU 891 CO 0.59 0.11 -1.36 0.93 -0.73 0.00 0.00 179.01 178.55 1p3i h GLU 892 N 0.18 0.59 -0.22 1.92 5.08 -1.95 -2.13 114.58 118.04 1p3i h GLU 892 Ca 0.54 -0.88 -0.14 0.00 -1.00 0.00 0.00 59.36 57.88 1p3i h GLU 892 Cb 1.09 0.31 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 1p3i h GLU 892 CO -0.68 1.41 -0.46 -0.07 -1.00 0.00 0.00 179.01 178.21 1p3i h LEU 893 N 0.22 0.59 -0.65 1.33 3.38 -1.69 -0.31 115.31 118.19 1p3i h LEU 893 Ca -0.22 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.48 1p3i h LEU 893 Cb 2.04 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 42.59 1p3i h LEU 893 CO 0.26 0.97 0.41 -1.13 0.09 0.00 0.00 178.44 179.04 1p3i h ASN 894 N 0.44 0.70 -0.38 -0.43 -1.24 -0.08 -0.28 115.58 114.32 1p3i h ASN 894 Ca 0.03 -0.01 -0.14 0.00 0.71 0.00 0.00 56.30 56.88 1p3i h ASN 894 Cb 0.97 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.85 1p3i h ASN 894 CO 0.09 0.50 -0.33 0.50 -1.29 0.00 0.00 177.43 176.90 1p3i h LYS 895 N 0.83 0.88 -0.20 6.67 1.63 -1.17 -0.71 116.57 124.50 1p3i h LYS 895 Ca 0.25 -0.45 -0.05 0.00 -0.85 0.00 0.00 60.65 59.55 1p3i h LYS 895 Cb -0.04 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.58 1p3i h LYS 895 CO -0.08 1.10 -0.11 1.25 -3.45 0.00 0.00 179.45 178.16 1p3i h LEU 896 N 0.69 0.31 -3.56 5.20 5.85 -0.59 -2.02 115.31 121.19 1p3i h LEU 896 Ca 0.07 -0.06 -0.30 0.00 0.84 0.00 0.00 57.88 58.42 1p3i h LEU 896 Cb 0.91 -0.08 -0.18 0.00 0.37 0.00 0.00 40.66 41.68 1p3i h LEU 896 CO 0.08 0.45 0.12 0.18 -0.34 0.00 0.00 178.44 178.94 1p3i n LEU 897 N -4.26 4.97 0.27 2.25 4.77 -0.16 -4.76 117.00 120.07 1p3i n LEU 897 Ca -0.00 -3.79 0.13 0.00 -0.03 0.00 0.00 56.01 52.32 1p3i n LEU 897 Cb 0.27 -0.70 0.82 0.00 -2.33 0.00 0.00 43.42 41.48 1p3i n LEU 897 CO 0.38 1.25 1.11 1.23 -1.33 0.00 0.00 177.39 180.03 1p3i h GLY 898 N 1.06 0.00 -2.10 -0.72 0.00 -0.35 -1.71 103.07 99.25 1p3i h GLY 898 Ca 0.35 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.51 1p3i h GLY 898 CO 0.63 0.00 -0.01 0.54 0.00 0.00 0.00 176.54 177.70 1p3i n ARG 899 N -4.06 2.06 -4.73 4.80 5.12 -1.26 -5.01 116.66 113.58 1p3i n ARG 899 Ca -0.02 -3.11 -0.31 0.00 -1.93 0.00 0.00 57.85 52.47 1p3i n ARG 899 Cb 0.13 -1.85 -0.13 0.00 -1.16 0.00 0.00 32.46 29.46 1p3i n ARG 899 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1p3i s VAL 900 N -3.18 2.84 -0.18 1.55 1.01 -0.64 -5.11 120.40 116.68 1p3i s VAL 900 Ca 0.45 -1.08 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 1p3i s VAL 900 Cb 0.40 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 1p3i s VAL 900 CO 0.02 0.40 -0.08 -0.89 0.00 0.00 0.00 175.10 174.55 1p3i s THR 901 N -0.88 3.24 -0.40 3.92 2.01 -1.26 -5.06 115.64 117.21 1p3i s THR 901 Ca 0.14 -0.56 -0.16 0.00 0.31 0.00 0.00 61.69 61.42 1p3i s THR 901 Cb -0.11 -2.43 0.01 0.00 0.01 0.00 0.00 72.50 69.99 1p3i s THR 901 CO 0.04 0.47 0.35 -0.63 -0.69 0.00 0.00 174.62 174.17 1p3i s ILE 902 N 0.97 5.19 0.36 1.82 1.01 -1.26 -5.04 121.20 124.25 1p3i s ILE 902 Ca -0.01 -0.44 -0.28 0.00 0.00 0.00 0.00 60.65 59.92 1p3i s ILE 902 Cb -0.15 -3.94 -0.11 0.00 0.01 0.00 0.00 42.46 38.27 1p3i s ILE 902 CO -0.00 -0.31 1.52 0.00 0.00 0.00 0.00 174.94 176.15 1p3i s ALA 903 N 1.89 3.62 -1.56 9.38 0.00 -1.26 -2.29 121.76 131.54 1p3i s ALA 903 Ca 0.08 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.64 1p3i s ALA 903 Cb -0.18 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.32 1p3i s ALA 903 CO 0.12 -1.06 0.00 1.04 0.00 0.00 0.00 175.76 175.86 1p3i n GLN 904 N 0.85 -1.38 0.02 0.00 1.13 -1.26 -4.82 117.38 111.91 1p3i n GLN 904 Ca 0.03 0.89 0.11 0.00 -1.94 0.00 0.00 57.00 56.09 1p3i n GLN 904 Cb 0.39 -5.34 -0.11 0.00 0.11 0.00 0.00 30.24 25.29 1p3i n GLN 904 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p3i n GLY 905 N -0.99 -1.12 7.00 1.08 0.00 -0.97 -3.18 105.19 107.00 1p3i n GLY 905 Ca -0.20 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1p3i n GLY 905 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p3i n GLY 906 N 1.26 0.43 3.41 -0.02 0.00 -1.26 -4.60 105.19 104.41 1p3i n GLY 906 Ca -0.02 -0.90 -0.21 0.00 0.00 0.00 0.00 46.02 44.88 1p3i n GLY 906 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1p3i s VAL 907 N 0.00 0.67 0.21 1.61 -7.23 -1.26 -5.05 120.40 109.35 1p3i s VAL 907 Ca 0.00 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 57.91 1p3i s VAL 907 Cb 0.00 -2.56 -0.09 0.00 0.56 0.00 0.00 36.38 34.29 1p3i s VAL 907 CO 0.00 0.00 0.83 -0.76 -0.31 0.00 0.00 175.10 174.86 1p3i s LEU 908 N -3.46 4.55 0.20 1.32 1.43 -1.26 -4.98 118.68 116.47 1p3i s LEU 908 Ca 0.33 1.72 -0.32 0.00 -1.03 0.00 0.00 54.13 54.83 1p3i s LEU 908 Cb 0.06 -3.50 -0.12 0.00 0.03 0.00 0.00 46.19 42.66 1p3i s LEU 908 CO 0.15 0.14 1.73 -2.84 0.23 0.00 0.00 176.35 175.76 1p3i s PRO 909 N -1.37 4.13 -0.30 1.29 0.02 -1.26 -4.94 135.00 132.57 1p3i s PRO 909 Ca 0.40 2.60 -0.11 0.00 0.02 0.00 0.00 61.00 63.91 1p3i s PRO 909 Cb -0.22 -3.13 0.17 0.00 0.02 0.00 0.00 34.50 31.34 1p3i s PRO 909 CO 0.27 -0.76 0.89 1.21 -0.33 0.00 0.00 177.00 178.28 1p3i s ASN 910 N 1.33 -0.78 -0.12 2.53 2.47 -1.26 -5.15 114.94 113.97 1p3i s ASN 910 Ca 0.75 0.73 0.03 0.00 0.42 0.00 0.00 52.86 54.79 1p3i s ASN 910 Cb -0.49 1.75 0.00 0.00 -1.45 0.00 0.00 41.25 41.06 1p3i s ASN 910 CO 0.32 -0.15 -0.22 -0.63 -3.72 0.00 0.00 177.10 172.71 1p3i s ILE 911 N 2.74 2.21 0.35 -5.21 1.01 -1.26 -5.11 121.20 115.94 1p3i s ILE 911 Ca 0.03 -0.95 -0.28 0.00 0.00 0.00 0.00 60.65 59.44 1p3i s ILE 911 Cb -0.10 -1.87 -0.10 0.00 0.01 0.00 0.00 42.46 40.40 1p3i s ILE 911 CO -0.16 0.55 1.36 -1.10 0.00 0.00 0.00 174.94 175.59 1p3i s GLN 912 N 0.49 4.24 0.18 2.79 -1.52 -1.26 -4.94 119.66 119.64 1p3i s GLN 912 Ca -0.14 2.32 -0.19 0.00 -1.95 0.00 0.00 55.36 55.40 1p3i s GLN 912 Cb -0.17 -3.01 0.12 0.00 -0.22 0.00 0.00 33.01 29.73 1p3i s GLN 912 CO 0.05 -0.32 1.62 0.77 -0.25 0.00 0.00 175.29 177.16 1p3i h SER 913 N 3.19 -0.79 0.00 5.90 0.02 -1.99 -1.80 113.55 118.08 1p3i h SER 913 Ca -0.50 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1p3i h SER 913 Cb 1.23 0.42 0.00 0.00 0.14 0.00 0.00 62.40 64.19 1p3i h SER 913 CO 0.65 -0.25 0.27 -0.37 -1.14 0.00 0.00 176.83 175.99 1p3i h VAL 914 N -0.13 0.00 0.00 2.27 -1.51 -2.01 -1.28 116.25 113.58 1p3i h VAL 914 Ca 0.22 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.66 1p3i h VAL 914 Cb 0.47 0.68 -0.00 0.00 -2.13 0.00 0.00 31.29 30.31 1p3i h VAL 914 CO -0.55 0.00 -0.14 -0.07 -1.23 0.00 0.00 177.57 175.58 1p3i h LEU 915 N 0.00 0.00-10.07 4.19 3.38 -1.69 -3.45 115.31 107.67 1p3i h LEU 915 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 1p3i h LEU 915 Cb 0.55 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.35 1p3i h LEU 915 CO 0.00 0.14 0.42 -0.76 0.09 0.00 0.00 178.44 178.33 1p3i s LEU 916 N -6.30 3.83 0.00 1.67 1.43 -0.49 -5.09 118.68 113.74 1p3i s LEU 916 Ca 0.06 2.09 0.21 0.00 -1.03 0.00 0.00 54.13 55.46 1p3i s LEU 916 Cb 0.06 -4.52 1.27 0.00 0.03 0.00 0.00 46.19 43.03 1p3i s LEU 916 CO 0.68 -0.99 1.65 -0.81 0.23 0.00 0.00 176.35 177.11