#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ayz s ALA 818 N 0.00 1.05 -0.36 7.82 0.00 -1.26 -5.09 121.76 123.93 2ayz s ALA 818 Ca 0.00 -0.62 -0.28 0.00 0.00 0.00 0.00 51.96 51.07 2ayz s ALA 818 Cb 0.00 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 2ayz s ALA 818 CO 0.00 -0.95 2.05 0.14 0.00 0.00 0.00 175.76 177.00 2ayz s VAL 819 N 1.83 3.23 -0.63 0.00 -7.23 -1.26 -4.84 120.40 111.50 2ayz s VAL 819 Ca 0.01 0.21 -0.01 0.00 -1.81 0.00 0.00 61.98 60.38 2ayz s VAL 819 Cb -0.16 -3.37 0.47 0.00 0.56 0.00 0.00 36.38 33.88 2ayz s VAL 819 CO -0.07 -0.28 1.98 -1.20 -0.31 0.00 0.00 175.10 175.22 2ayz n SER 820 N 12.04 7.18 -4.12 4.85 7.64 -1.26 -4.84 113.62 135.11 2ayz n SER 820 Ca 0.27 -3.77 -0.34 0.00 1.01 0.00 0.00 58.87 56.04 2ayz n SER 820 Cb 0.48 -0.93 -0.13 0.00 -1.01 0.00 0.00 64.21 62.62 2ayz n SER 820 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2ayz s ASP 821 N -1.88 4.92 -0.01 6.43 -1.08 -1.26 -5.00 116.67 118.79 2ayz s ASP 821 Ca 0.63 -1.67 -0.01 0.00 -0.52 0.00 0.00 52.55 50.98 2ayz s ASP 821 Cb 0.50 -1.71 -0.01 0.00 -1.46 0.00 0.00 42.92 40.24 2ayz s ASP 821 CO 0.00 -0.36 0.34 -1.13 0.52 0.00 0.00 175.17 174.54 2ayz h ASN 822 N 7.91 -0.04 0.00 -0.34 -1.24 -2.04 -3.50 115.58 116.33 2ayz h ASN 822 Ca -0.15 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.86 2ayz h ASN 822 Cb 1.05 0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.11 2ayz h ASN 822 CO 0.57 0.01 0.00 -0.90 -1.29 0.00 0.00 177.43 175.82 2ayz n ASP 823 N -2.37 0.00 0.00 1.15 5.68 -1.26 -5.14 116.55 114.62 2ayz n ASP 823 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 2ayz n ASP 823 Cb 0.02 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 2ayz n ASP 823 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2ayz n ASP 824 N -0.29 0.00 -3.75 -1.12 -0.08 -1.26 -5.01 116.55 105.04 2ayz n ASP 824 Ca 0.00 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.15 2ayz n ASP 824 Cb 0.00 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.35 2ayz n ASP 824 CO 0.00 0.00 0.00 -0.32 0.12 0.00 0.00 177.20 177.00 2ayz s MET 825 N 0.00 0.40 -0.29 -0.67 1.75 -1.26 -5.06 119.30 114.17 2ayz s MET 825 Ca 0.00 0.49 -0.15 0.00 -1.25 0.00 0.00 55.69 54.78 2ayz s MET 825 Cb 0.00 0.18 -0.03 0.00 2.84 0.00 0.00 34.83 37.82 2ayz s MET 825 CO 0.00 -0.05 0.38 1.41 -0.65 0.00 0.00 175.02 176.11 2ayz s MET 826 N 0.25 3.92 -0.10 4.11 1.75 -1.26 -1.67 119.30 126.31 2ayz s MET 826 Ca -0.01 -0.04 0.00 0.00 -1.25 0.00 0.00 55.69 54.39 2ayz s MET 826 Cb -0.03 -3.69 -0.03 0.00 2.84 0.00 0.00 34.83 33.93 2ayz s MET 826 CO -0.00 -0.34 -0.09 0.42 -0.65 0.00 0.00 175.02 174.36 2ayz s ILE 827 N 2.09 3.52 -0.54 10.11 -1.09 0.32 -0.71 121.20 134.89 2ayz s ILE 827 Ca 0.15 -0.53 -0.19 0.00 -2.23 0.00 0.00 60.65 57.85 2ayz s ILE 827 Cb -0.16 -2.46 0.07 0.00 -1.58 0.00 0.00 42.46 38.33 2ayz s ILE 827 CO 0.10 0.56 0.68 -0.22 -1.23 0.00 0.00 174.94 174.83 2ayz s LEU 828 N -0.32 5.03 -0.77 2.97 0.20 0.09 -1.04 118.68 124.83 2ayz s LEU 828 Ca 0.04 -1.04 -0.19 0.00 0.69 0.00 0.00 54.13 53.63 2ayz s LEU 828 Cb -0.13 -2.42 0.13 0.00 -0.43 0.00 0.00 46.19 43.34 2ayz s LEU 828 CO 0.02 -0.99 0.92 0.68 -0.29 0.00 0.00 176.35 176.69 2ayz s VAL 829 N 2.76 4.83 -0.07 1.68 -7.23 0.38 -1.82 120.40 120.93 2ayz s VAL 829 Ca 0.15 -1.36 -0.02 0.00 -1.81 0.00 0.00 61.98 58.94 2ayz s VAL 829 Cb -0.20 -4.63 -0.04 0.00 0.56 0.00 0.00 36.38 32.07 2ayz s VAL 829 CO 0.10 -1.32 0.03 -0.69 -0.31 0.00 0.00 175.10 172.92 2ayz s VAL 830 N 2.51 4.51 -0.11 1.32 1.01 -0.39 -2.42 120.40 126.83 2ayz s VAL 830 Ca 0.23 -0.26 -0.09 0.00 0.00 0.00 0.00 61.98 61.86 2ayz s VAL 830 Cb -0.13 -2.95 0.03 0.00 0.00 0.00 0.00 36.38 33.33 2ayz s VAL 830 CO -0.02 0.54 0.28 -0.62 0.00 0.00 0.00 175.10 175.28 2ayz s ASP 831 N -1.12 -0.30 -0.91 3.32 2.15 -1.00 -0.44 116.67 118.36 2ayz s ASP 831 Ca 0.16 0.58 -0.06 0.00 0.43 0.00 0.00 52.55 53.65 2ayz s ASP 831 Cb -0.12 0.56 0.00 0.00 -0.30 0.00 0.00 42.92 43.07 2ayz s ASP 831 CO 0.05 -0.11 2.81 -0.67 -0.17 0.00 0.00 175.17 177.08 2ayz n ASP 832 N 3.15 7.28 -3.60 -0.34 2.03 -0.55 -4.16 116.55 120.35 2ayz n ASP 832 Ca -0.15 -2.95 -0.03 0.00 0.52 0.00 0.00 54.79 52.19 2ayz n ASP 832 Cb 0.57 -1.37 -0.02 0.00 -0.72 0.00 0.00 41.12 39.59 2ayz n ASP 832 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2ayz s HIS 833 N -0.37 -0.10 -0.12 -0.67 3.76 -1.26 -2.99 115.29 113.55 2ayz s HIS 833 Ca 0.60 0.04 -0.10 0.00 -0.15 0.00 0.00 55.06 55.45 2ayz s HIS 833 Cb 0.26 0.52 -0.26 0.00 1.11 0.00 0.00 32.58 34.22 2ayz s HIS 833 CO -0.11 -0.22 0.41 -1.00 -0.85 0.00 0.00 174.74 172.97 2ayz h PRO 834 N 2.00 0.25 -0.24 8.40 0.13 -1.99 -3.31 132.00 137.24 2ayz h PRO 834 Ca -0.15 -0.43 -0.08 0.00 -0.87 0.00 0.00 66.00 64.47 2ayz h PRO 834 Cb 1.17 0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 2ayz h PRO 834 CO 0.24 1.21 -0.16 0.97 -0.23 0.00 0.00 178.00 180.02 2ayz h ILE 835 N -0.08 1.31 0.00 -3.56 2.10 -1.99 -2.64 117.51 112.66 2ayz h ILE 835 Ca -0.40 -1.28 -0.08 0.00 1.08 0.00 0.00 64.86 64.18 2ayz h ILE 835 Cb 1.94 1.62 -0.01 0.00 -1.09 0.00 0.00 36.82 39.28 2ayz h ILE 835 CO 0.06 0.40 -0.38 0.78 -1.08 0.00 0.00 178.15 177.94 2ayz h ASN 836 N 0.24 0.00 0.05 2.19 4.21 -1.98 -2.25 115.58 118.05 2ayz h ASN 836 Ca 0.05 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.55 2ayz h ASN 836 Cb 0.69 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.89 2ayz h ASN 836 CO 0.04 0.38 -0.03 0.03 -1.29 0.00 0.00 177.43 176.57 2ayz h ARG 837 N 0.00 -0.07 -0.00 0.81 3.08 -1.61 0.12 114.38 116.71 2ayz h ARG 837 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.94 2ayz h ARG 837 Cb 0.96 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.01 2ayz h ARG 837 CO 0.05 -0.04 -0.55 0.07 -1.07 0.00 0.00 179.97 178.43 2ayz h ARG 838 N -0.08 0.00 -0.05 0.04 -0.00 -1.33 -1.75 114.38 111.22 2ayz h ARG 838 Ca -0.01 -0.00 -0.12 0.00 -0.00 0.00 0.00 59.98 59.86 2ayz h ARG 838 Cb 0.06 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.04 2ayz h ARG 838 CO 0.01 0.55 -0.42 1.25 -0.00 0.00 0.00 179.97 181.36 2ayz h LEU 839 N 0.00 0.46 -0.89 0.08 5.85 -1.19 -0.82 115.31 118.81 2ayz h LEU 839 Ca -0.01 -0.69 -0.12 0.00 0.84 0.00 0.00 57.88 57.90 2ayz h LEU 839 Cb 0.97 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 2ayz h LEU 839 CO 0.07 1.08 -0.56 0.17 -0.34 0.00 0.00 178.44 178.87 2ayz h LEU 840 N -0.13 0.01 -0.76 2.25 -0.00 -0.77 -0.19 115.31 115.72 2ayz h LEU 840 Ca -0.04 -0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.71 2ayz h LEU 840 Cb 1.10 -0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.75 2ayz h LEU 840 CO 0.09 0.56 -0.57 0.00 -0.00 0.00 0.00 178.44 178.51 2ayz h ALA 841 N 1.44 0.95 -0.19 0.17 0.00 -1.32 -0.41 119.26 119.90 2ayz h ALA 841 Ca -0.01 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 2ayz h ALA 841 Cb 0.98 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2ayz h ALA 841 CO 0.07 0.71 -0.02 0.22 0.00 0.00 0.00 179.25 180.23 2ayz h ASP 842 N 0.11 0.35 -0.64 0.00 3.58 -0.41 0.14 116.42 119.55 2ayz h ASP 842 Ca -0.00 -0.34 0.03 0.00 0.42 0.00 0.00 57.03 57.14 2ayz h ASP 842 Cb 1.04 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.96 2ayz h ASP 842 CO 0.08 0.61 0.39 1.56 -2.88 0.00 0.00 179.24 179.00 2ayz h GLN 843 N 0.09 0.75 -0.80 0.28 4.20 -0.97 -0.15 115.11 118.52 2ayz h GLN 843 Ca 0.05 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 2ayz h GLN 843 Cb 0.44 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.02 2ayz h GLN 843 CO 0.01 0.50 0.38 1.25 -0.67 0.00 0.00 178.83 180.30 2ayz h LEU 844 N 0.77 1.04 -1.69 1.46 7.12 -0.92 -1.60 115.31 121.50 2ayz h LEU 844 Ca 0.26 -0.14 -0.04 0.00 0.13 0.00 0.00 57.88 58.10 2ayz h LEU 844 Cb 0.03 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 39.89 2ayz h LEU 844 CO -0.11 0.89 -0.19 1.23 -0.13 0.00 0.00 178.44 180.13 2ayz h GLY 845 N 1.13 0.00 2.00 3.75 0.00 -0.02 -0.95 103.07 108.97 2ayz h GLY 845 Ca 0.27 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.50 2ayz h GLY 845 CO -0.03 0.00 -0.50 1.76 0.00 0.00 0.00 176.54 177.77 2ayz h SER 846 N 0.00 0.00 1.53 0.19 0.02 -0.11 -2.60 113.55 112.58 2ayz h SER 846 Ca -0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2ayz h SER 846 Cb 0.39 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2ayz h SER 846 CO 0.02 0.50 -0.18 -0.07 -1.14 0.00 0.00 176.83 175.96 2ayz h LEU 847 N 0.00 0.00 0.34 5.07 3.38 -0.54 -3.47 115.31 120.08 2ayz h LEU 847 Ca -0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2ayz h LEU 847 Cb 1.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2ayz h LEU 847 CO 0.07 0.18 -0.07 0.61 0.09 0.00 0.00 178.44 179.31 2ayz n GLY 848 N 0.82 0.40 3.90 0.83 0.00 -0.70 -5.04 105.19 105.40 2ayz n GLY 848 Ca 0.02 -0.82 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 2ayz n GLY 848 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ayz s TYR 849 N -2.15 2.92 -0.14 1.61 2.02 -1.20 -4.97 117.35 115.45 2ayz s TYR 849 Ca 0.00 -0.32 -0.29 0.00 -0.37 0.00 0.00 57.07 56.09 2ayz s TYR 849 Cb 0.00 -1.95 -0.04 0.00 -0.40 0.00 0.00 41.96 39.57 2ayz s TYR 849 CO 0.00 0.04 1.72 -0.65 -1.57 0.00 0.00 175.55 175.09 2ayz s GLN 850 N -4.09 3.90 -0.33 -0.62 -1.52 -0.67 -4.71 119.66 111.62 2ayz s GLN 850 Ca 0.44 1.97 -0.15 0.00 -1.95 0.00 0.00 55.36 55.67 2ayz s GLN 850 Cb -0.07 -4.06 -0.02 0.00 -0.22 0.00 0.00 33.01 28.64 2ayz s GLN 850 CO 0.28 -1.19 0.38 0.00 -0.25 0.00 0.00 175.29 174.51 2ayz s LYS 852 N 2.07 2.81 -0.05 0.00 3.01 -0.21 -4.95 119.74 122.42 2ayz s LYS 852 Ca 0.13 -1.05 -0.19 0.00 -1.01 0.00 0.00 55.97 53.85 2ayz s LYS 852 Cb -0.16 -3.47 -0.05 0.00 -1.01 0.00 0.00 37.83 33.14 2ayz s LYS 852 CO 0.12 -0.59 0.53 0.95 0.51 0.00 0.00 175.35 176.86 2ayz s THR 853 N 1.46 5.04 0.15 2.17 -4.23 -1.26 -0.47 115.64 118.51 2ayz s THR 853 Ca 0.00 1.09 -0.06 0.00 -1.18 0.00 0.00 61.69 61.54 2ayz s THR 853 Cb -0.19 -3.87 -0.02 0.00 1.34 0.00 0.00 72.50 69.77 2ayz s THR 853 CO 0.03 0.39 0.21 0.00 -0.54 0.00 0.00 174.62 174.71 2ayz s ALA 854 N 0.08 0.30 -0.40 3.99 0.00 -1.02 -4.98 121.76 119.73 2ayz s ALA 854 Ca 0.29 -1.09 0.07 0.00 0.00 0.00 0.00 51.96 51.22 2ayz s ALA 854 Cb -0.17 0.88 0.23 0.00 0.00 0.00 0.00 23.12 24.05 2ayz s ALA 854 CO 0.14 -0.60 0.50 -1.71 0.00 0.00 0.00 175.76 174.09 2ayz n ASN 855 N -0.18 -0.24 0.00 0.00 4.05 -1.26 -2.38 115.26 115.25 2ayz n ASN 855 Ca -0.06 -2.64 0.00 0.00 0.45 0.00 0.00 54.58 52.32 2ayz n ASN 855 Cb 0.63 -0.44 0.00 0.00 1.23 0.00 0.00 39.78 41.20 2ayz n ASN 855 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2ayz n ASP 856 N 1.84 0.00 -0.03 1.20 -0.08 -1.26 -4.81 116.55 113.41 2ayz n ASP 856 Ca 0.23 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.34 2ayz n ASP 856 Cb 0.52 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.91 2ayz n ASP 856 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2ayz h GLY 857 N 0.00 0.81 2.00 0.27 0.00 -1.95 -2.82 103.07 101.39 2ayz h GLY 857 Ca 0.00 -1.14 -0.11 0.00 0.00 0.00 0.00 47.33 46.07 2ayz h GLY 857 CO 0.00 1.02 -0.55 -0.39 0.00 0.00 0.00 176.54 176.62 2ayz h VAL 858 N 0.45 1.24 -0.99 4.60 -1.51 -1.95 -2.81 116.25 115.29 2ayz h VAL 858 Ca -0.05 -1.98 0.08 0.00 -1.23 0.00 0.00 66.70 63.52 2ayz h VAL 858 Cb 1.34 2.11 -0.07 0.00 -2.13 0.00 0.00 31.29 32.54 2ayz h VAL 858 CO 0.15 0.54 0.63 -0.78 -1.23 0.00 0.00 177.57 176.87 2ayz h ASP 859 N 0.00 0.99 0.00 4.19 3.58 -1.85 -1.11 116.42 122.22 2ayz h ASP 859 Ca -0.01 0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.38 2ayz h ASP 859 Cb 1.07 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.92 2ayz h ASP 859 CO 0.07 0.61 -0.23 0.00 -2.88 0.00 0.00 179.24 176.81 2ayz h ALA 860 N 1.47 1.23 -0.42 -0.78 0.00 -1.24 -1.97 119.26 117.54 2ayz h ALA 860 Ca 0.44 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2ayz h ALA 860 Cb 0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2ayz h ALA 860 CO -0.19 0.51 0.19 -0.07 0.00 0.00 0.00 179.25 179.68 2ayz h LEU 861 N 0.34 0.57 -0.12 0.00 4.07 -1.15 -0.33 115.31 118.69 2ayz h LEU 861 Ca 0.06 -0.14 -0.03 0.00 0.08 0.00 0.00 57.88 57.84 2ayz h LEU 861 Cb 0.59 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 42.18 2ayz h LEU 861 CO 0.04 0.55 -0.03 -1.13 -1.08 0.00 0.00 178.44 176.80 2ayz h ASN 862 N 0.54 0.23 0.09 -0.43 -1.24 -1.15 -1.96 115.58 111.66 2ayz h ASN 862 Ca 0.14 -0.36 -0.04 0.00 0.71 0.00 0.00 56.30 56.74 2ayz h ASN 862 Cb 0.15 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 2ayz h ASN 862 CO -0.02 0.54 -0.15 1.62 -1.29 0.00 0.00 177.43 178.14 2ayz h VAL 863 N -0.08 1.16 -0.18 2.57 3.04 -1.34 -0.23 116.25 121.18 2ayz h VAL 863 Ca 0.03 -0.72 -0.07 0.00 -1.01 0.00 0.00 66.70 64.94 2ayz h VAL 863 Cb 0.44 1.26 -0.01 0.00 -2.01 0.00 0.00 31.29 30.97 2ayz h VAL 863 CO 0.01 0.22 -0.18 0.25 -1.01 0.00 0.00 177.57 176.86 2ayz h LEU 864 N 0.13 0.30 0.00 3.16 6.46 -0.83 0.10 115.31 124.64 2ayz h LEU 864 Ca 0.03 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 2ayz h LEU 864 Cb 0.35 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.20 2ayz h LEU 864 CO 0.02 0.50 -0.19 -1.20 -0.62 0.00 0.00 178.44 176.95 2ayz n SER 865 N -4.21 0.45 -0.12 1.25 7.64 -0.24 -4.04 113.62 114.36 2ayz n SER 865 Ca -0.00 0.33 -0.22 0.00 1.01 0.00 0.00 58.87 59.98 2ayz n SER 865 Cb 0.32 -0.35 -0.12 0.00 -1.01 0.00 0.00 64.21 63.06 2ayz n SER 865 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2ayz n LYS 866 N -1.84 0.64 -4.01 1.43 3.00 -0.40 -5.03 118.16 111.95 2ayz n LYS 866 Ca 0.06 0.21 -0.11 0.00 -0.00 0.00 0.00 58.31 58.47 2ayz n LYS 866 Cb 0.38 -1.54 -0.12 0.00 0.00 0.00 0.00 35.03 33.76 2ayz n LYS 866 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 2ayz s ASN 867 N -6.89 0.46 -0.61 3.14 2.47 0.29 -5.09 114.94 108.71 2ayz s ASN 867 Ca -0.35 -0.42 -0.28 0.00 0.42 0.00 0.00 52.86 52.23 2ayz s ASN 867 Cb 0.11 0.05 0.02 0.00 -1.45 0.00 0.00 41.25 39.97 2ayz s ASN 867 CO 0.58 -0.20 1.39 -2.28 -3.72 0.00 0.00 177.10 172.87 2ayz s HIS 868 N -1.14 2.27 -0.10 0.43 5.65 -1.26 -4.30 115.29 116.84 2ayz s HIS 868 Ca -0.10 0.36 -0.10 0.00 0.25 0.00 0.00 55.06 55.46 2ayz s HIS 868 Cb -0.08 -4.44 -0.05 0.00 -1.18 0.00 0.00 32.58 26.83 2ayz s HIS 868 CO -0.00 -1.98 0.23 0.42 -0.65 0.00 0.00 174.74 172.76 2ayz s ILE 869 N 6.10 5.35 -0.06 0.89 1.09 -1.26 -4.83 121.20 128.47 2ayz s ILE 869 Ca 0.48 0.42 0.05 0.00 -1.10 0.00 0.00 60.65 60.50 2ayz s ILE 869 Cb -0.10 -3.52 -0.24 0.00 -1.06 0.00 0.00 42.46 37.54 2ayz s ILE 869 CO 0.22 0.57 0.59 0.44 -0.10 0.00 0.00 174.94 176.66 2ayz h ASP 870 N 5.22 0.16 -3.72 3.58 3.32 -1.31 -3.46 116.42 120.22 2ayz h ASP 870 Ca -0.51 -0.35 -0.42 0.00 0.02 0.00 0.00 57.03 55.77 2ayz h ASP 870 Cb 1.21 -0.05 -0.31 0.00 0.22 0.00 0.00 39.33 40.40 2ayz h ASP 870 CO 0.62 1.31 -0.78 -0.63 -1.72 0.00 0.00 179.24 178.04 2ayz s ILE 871 N -2.59 0.70 -0.12 0.35 -1.09 -0.99 -4.67 121.20 112.79 2ayz s ILE 871 Ca -0.11 -0.29 0.01 0.00 -2.23 0.00 0.00 60.65 58.03 2ayz s ILE 871 Cb 0.07 -0.64 -0.01 0.00 -1.58 0.00 0.00 42.46 40.30 2ayz s ILE 871 CO 0.81 0.23 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.92 2ayz s VAL 872 N 0.35 2.96 -0.08 2.92 1.01 -1.13 -0.73 120.40 125.70 2ayz s VAL 872 Ca -0.05 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 2ayz s VAL 872 Cb -0.10 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 34.08 2ayz s VAL 872 CO 0.01 0.53 -0.01 -1.48 0.00 0.00 0.00 175.10 174.15 2ayz s LEU 873 N 0.25 0.72 -0.24 3.92 2.34 -0.76 -0.59 118.68 124.32 2ayz s LEU 873 Ca -0.10 -0.15 0.02 0.00 0.06 0.00 0.00 54.13 53.97 2ayz s LEU 873 Cb -0.16 -0.52 0.05 0.00 -0.56 0.00 0.00 46.19 45.01 2ayz s LEU 873 CO 0.06 -0.18 -0.10 -0.94 -1.06 0.00 0.00 176.35 174.12 2ayz s SER 874 N 1.92 4.07 0.60 1.48 1.04 -0.54 -1.26 113.70 121.00 2ayz s SER 874 Ca 0.05 -1.22 -0.14 0.00 0.48 0.00 0.00 55.95 55.11 2ayz s SER 874 Cb -0.12 -1.41 -0.04 0.00 0.10 0.00 0.00 66.02 64.55 2ayz s SER 874 CO -0.06 -0.18 1.04 -0.62 0.98 0.00 0.00 173.24 174.40 2ayz s ASP 875 N 1.23 5.94 0.07 7.02 -1.08 0.41 -0.82 116.67 129.44 2ayz s ASP 875 Ca -0.06 1.68 -0.08 0.00 -0.52 0.00 0.00 52.55 53.57 2ayz s ASP 875 Cb -0.19 -2.51 -0.00 0.00 -1.46 0.00 0.00 42.92 38.75 2ayz s ASP 875 CO -0.06 -1.06 0.17 0.68 0.52 0.00 0.00 175.17 175.41 2ayz s VAL 876 N -2.68 0.14 0.00 1.11 -7.23 -0.31 -1.49 120.40 109.94 2ayz s VAL 876 Ca 0.61 -1.16 0.00 0.00 -1.81 0.00 0.00 61.98 59.61 2ayz s VAL 876 Cb -0.14 -1.23 0.00 0.00 0.56 0.00 0.00 36.38 35.58 2ayz s VAL 876 CO 0.41 -0.64 0.00 -3.20 -0.31 0.00 0.00 175.10 171.36 2ayz n ASN 877 N 0.18 0.00 0.02 4.85 2.85 -1.25 -4.31 115.26 117.60 2ayz n ASN 877 Ca -0.16 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.31 2ayz n ASN 877 Cb 0.61 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.63 2ayz n ASN 877 CO 0.00 0.00 0.00 0.80 -2.11 0.00 0.00 177.26 175.95 2ayz n MET 878 N 0.00 0.00 0.05 1.20 1.56 -1.16 -4.80 117.12 113.97 2ayz n MET 878 Ca 0.00 0.00 -0.02 0.00 -0.27 0.00 0.00 57.70 57.41 2ayz n MET 878 Cb 0.00 -0.51 -0.01 0.00 2.15 0.00 0.00 33.22 34.85 2ayz n MET 878 CO 0.00 0.00 0.00 -1.00 -0.73 0.00 0.00 175.97 174.24 2ayz h PRO 879 N -0.01 -0.12 0.00 2.12 0.13 -2.00 -3.51 132.00 128.62 2ayz h PRO 879 Ca -0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2ayz h PRO 879 Cb 0.53 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.68 2ayz h PRO 879 CO -0.00 -0.08 0.00 0.27 -0.23 0.00 0.00 178.00 177.96 2ayz n ASN 880 N -2.59 0.12 -4.18 1.44 0.23 -1.26 -5.06 115.26 103.96 2ayz n ASN 880 Ca -0.02 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.61 2ayz n ASN 880 Cb 0.05 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.75 2ayz n ASN 880 CO 0.00 0.00 0.00 0.80 -0.93 0.00 0.00 177.26 177.13 2ayz n MET 881 N 0.00 3.10 -1.91 -3.83 0.00 -1.26 -4.72 117.12 108.51 2ayz n MET 881 Ca 0.00 -3.07 0.00 0.00 -0.00 0.00 0.00 57.70 54.63 2ayz n MET 881 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 33.22 29.88 2ayz n MET 881 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2ayz n ASP 882 N 6.93 0.52 0.00 6.12 -0.08 -1.26 -4.98 116.55 123.81 2ayz n ASP 882 Ca 0.49 -0.95 0.00 0.00 -1.51 0.00 0.00 54.79 52.81 2ayz n ASP 882 Cb 0.42 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.88 2ayz n ASP 882 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ayz n GLY 883 N 1.30 1.48 0.13 0.27 0.00 -1.26 -4.64 105.19 102.46 2ayz n GLY 883 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2ayz n GLY 883 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2ayz n TYR 884 N 0.00 0.97 0.16 1.61 4.11 -1.26 -4.37 117.16 118.39 2ayz n TYR 884 Ca 0.00 0.29 0.18 0.00 -0.00 0.00 0.00 57.90 58.37 2ayz n TYR 884 Cb 0.00 -1.12 0.80 0.00 -0.00 0.00 0.00 39.34 39.02 2ayz n TYR 884 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.86 176.77 2ayz h ARG 885 N -0.41 0.00 0.00 -3.48 1.12 -1.93 0.37 114.38 110.06 2ayz h ARG 885 Ca -0.43 0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 58.40 2ayz h ARG 885 Cb 1.73 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.68 2ayz h ARG 885 CO -0.08 0.00 -0.18 1.37 -3.11 0.00 0.00 179.97 177.98 2ayz h LEU 886 N 0.00 0.00 -0.36 3.80 8.10 -1.95 -1.19 115.31 123.71 2ayz h LEU 886 Ca 0.12 0.00 -0.18 0.00 0.11 0.00 0.00 57.88 57.94 2ayz h LEU 886 Cb 0.69 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.89 2ayz h LEU 886 CO -0.00 0.18 -0.83 0.74 -4.11 0.00 0.00 178.44 174.42 2ayz h THR 887 N 0.00 1.55 -0.71 0.15 2.02 -0.48 -1.35 112.91 114.09 2ayz h THR 887 Ca -0.00 -2.70 0.00 0.00 0.77 0.00 0.00 66.41 64.49 2ayz h THR 887 Cb 0.97 2.47 -0.04 0.00 -1.74 0.00 0.00 68.15 69.82 2ayz h THR 887 CO 0.02 0.78 0.46 -0.61 0.37 0.00 0.00 175.52 176.54 2ayz h GLN 888 N 0.04 0.94 -0.12 6.66 4.15 -1.07 0.36 115.11 126.07 2ayz h GLN 888 Ca -0.02 -0.06 -0.15 0.00 0.77 0.00 0.00 58.65 59.19 2ayz h GLN 888 Cb 1.45 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.92 2ayz h GLN 888 CO 0.11 0.63 -0.56 0.00 -1.93 0.00 0.00 178.83 177.09 2ayz h ARG 889 N 0.96 0.37 0.04 1.69 2.47 -1.14 -1.59 114.38 117.18 2ayz h ARG 889 Ca 0.26 -0.23 -0.00 0.00 -1.26 0.00 0.00 59.98 58.74 2ayz h ARG 889 Cb -0.10 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.25 2ayz h ARG 889 CO -0.05 0.83 -0.02 0.82 0.56 0.00 0.00 179.97 182.11 2ayz h ILE 890 N 0.28 1.03 0.00 2.04 2.04 -0.04 0.50 117.51 123.36 2ayz h ILE 890 Ca 0.00 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 2ayz h ILE 890 Cb 1.07 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 2ayz h ILE 890 CO 0.09 0.05 -0.17 0.08 0.00 0.00 0.00 178.15 178.20 2ayz h ARG 891 N -0.14 0.00 -0.19 2.37 0.11 -0.99 0.16 114.38 115.71 2ayz h ARG 891 Ca -0.01 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.87 2ayz h ARG 891 Cb 0.12 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.21 2ayz h ARG 891 CO 0.01 0.17 -0.70 0.37 0.10 0.00 0.00 179.97 179.92 2ayz h GLN 892 N 0.00 0.78 0.00 0.08 4.15 -0.95 -3.31 115.11 115.87 2ayz h GLN 892 Ca -0.00 -0.59 -0.00 0.00 0.77 0.00 0.00 58.65 58.83 2ayz h GLN 892 Cb 0.66 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.46 2ayz h GLN 892 CO 0.02 1.21 -0.00 1.25 -1.93 0.00 0.00 178.83 179.38 2ayz h LEU 893 N 0.56 -0.00 0.00 -2.39 5.85 -0.40 -3.49 115.31 115.43 2ayz h LEU 893 Ca -0.03 -0.65 0.00 0.00 0.84 0.00 0.00 57.88 58.04 2ayz h LEU 893 Cb 1.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.35 2ayz h LEU 893 CO 0.15 0.65 0.00 0.61 -0.34 0.00 0.00 178.44 179.51 2ayz n GLY 894 N 0.69 1.71 3.70 3.75 0.00 0.52 -5.10 105.19 110.45 2ayz n GLY 894 Ca -0.09 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 2ayz n GLY 894 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2ayz s LEU 895 N 0.00 4.31 0.00 0.99 2.34 -1.22 -4.90 118.68 120.20 2ayz s LEU 895 Ca 0.00 1.78 0.18 0.00 0.06 0.00 0.00 54.13 56.15 2ayz s LEU 895 Cb 0.00 -3.56 0.08 0.00 -0.56 0.00 0.00 46.19 42.14 2ayz s LEU 895 CO 0.00 -0.49 1.00 0.35 -1.06 0.00 0.00 176.35 176.16 2ayz n THR 896 N 4.35 0.00 -3.86 5.48 -2.24 -1.26 -5.02 114.28 111.74 2ayz n THR 896 Ca 0.09 -0.41 -0.09 0.00 -2.27 0.00 0.00 64.05 61.37 2ayz n THR 896 Cb 0.47 1.30 -0.07 0.00 -2.10 0.00 0.00 70.33 69.94 2ayz n THR 896 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2ayz s LEU 897 N -1.82 1.01 0.23 3.22 2.34 -1.26 -5.14 118.68 117.26 2ayz s LEU 897 Ca 0.18 -0.68 -0.30 0.00 0.06 0.00 0.00 54.13 53.39 2ayz s LEU 897 Cb 0.15 1.28 -0.10 0.00 -0.56 0.00 0.00 46.19 46.96 2ayz s LEU 897 CO 0.33 -0.83 1.47 -2.84 -1.06 0.00 0.00 176.35 173.42 2ayz s PRO 898 N -3.89 4.25 -0.22 1.48 0.02 -1.26 -4.94 135.00 130.43 2ayz s PRO 898 Ca 0.10 2.32 -0.03 0.00 0.02 0.00 0.00 61.00 63.40 2ayz s PRO 898 Cb 0.03 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.44 2ayz s PRO 898 CO -0.06 -0.47 -0.06 0.08 -0.33 0.00 0.00 177.00 176.16 2ayz s VAL 899 N 0.28 3.16 -0.38 3.83 1.01 -1.08 -2.82 120.40 124.41 2ayz s VAL 899 Ca 0.62 -0.65 -0.11 0.00 0.00 0.00 0.00 61.98 61.85 2ayz s VAL 899 Cb -0.42 -2.47 0.03 0.00 0.00 0.00 0.00 36.38 33.52 2ayz s VAL 899 CO 0.40 0.38 0.20 -0.63 0.00 0.00 0.00 175.10 175.46 2ayz s ILE 900 N 1.43 4.53 -0.14 2.22 1.01 0.24 -0.93 121.20 129.56 2ayz s ILE 900 Ca 0.05 -0.90 -0.16 0.00 0.00 0.00 0.00 60.65 59.64 2ayz s ILE 900 Cb -0.15 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 2ayz s ILE 900 CO -0.04 -0.25 0.37 -0.83 0.00 0.00 0.00 174.94 174.19 2ayz s GLY 901 N 1.55 2.29 -0.73 6.18 0.00 -0.26 -1.47 107.32 114.88 2ayz s GLY 901 Ca 0.02 -0.34 -0.15 0.00 0.00 0.00 0.00 44.72 44.25 2ayz s GLY 901 CO 0.06 0.58 0.70 0.14 0.00 0.00 0.00 173.10 174.58 2ayz s VAL 902 N 0.52 5.38 0.57 1.40 1.01 0.00 -0.69 120.40 128.59 2ayz s VAL 902 Ca 0.21 -2.00 -0.04 0.00 0.00 0.00 0.00 61.98 60.14 2ayz s VAL 902 Cb -0.14 -4.45 0.01 0.00 0.00 0.00 0.00 36.38 31.80 2ayz s VAL 902 CO 0.07 -1.02 0.86 0.42 0.00 0.00 0.00 175.10 175.43 2ayz s THR 903 N 0.96 3.50 -0.09 3.92 -4.23 0.08 -1.16 115.64 118.62 2ayz s THR 903 Ca 0.14 -0.18 -0.03 0.00 -1.18 0.00 0.00 61.69 60.43 2ayz s THR 903 Cb -0.17 -3.37 0.05 0.00 1.34 0.00 0.00 72.50 70.34 2ayz s THR 903 CO -0.04 -0.35 0.15 0.00 -0.54 0.00 0.00 174.62 173.84 2ayz s ALA 904 N -2.91 -0.11 -0.88 3.99 0.00 -1.26 -0.03 121.76 120.56 2ayz s ALA 904 Ca 0.54 0.48 -0.04 0.00 0.00 0.00 0.00 51.96 52.94 2ayz s ALA 904 Cb -0.10 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.19 2ayz s ALA 904 CO 0.43 -0.61 0.76 -1.71 0.00 0.00 0.00 175.76 174.64 2ayz n ASN 905 N 5.32 -4.07 0.00 0.00 5.15 -1.26 -4.90 115.26 115.51 2ayz n ASN 905 Ca -0.05 -0.38 0.00 0.00 -0.60 0.00 0.00 54.58 53.55 2ayz n ASN 905 Cb 0.50 -3.58 0.00 0.00 -0.53 0.00 0.00 39.78 36.16 2ayz n ASN 905 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ayz n ALA 906 N -3.87 1.91 0.00 5.20 0.00 -1.26 -5.02 120.51 117.48 2ayz n ALA 906 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2ayz n ALA 906 Cb 0.56 0.31 0.00 0.00 0.00 0.00 0.00 19.45 20.33 2ayz n ALA 906 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2ayz n LEU 907 N -2.04 0.00 -1.21 0.00 0.00 -1.26 -4.49 117.00 108.00 2ayz n LEU 907 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 56.01 55.97 2ayz n LEU 907 Cb 0.41 0.00 0.06 0.00 0.00 0.00 0.00 43.42 43.89 2ayz n LEU 907 CO 0.00 0.00 0.64 0.00 0.00 0.00 0.00 177.39 178.03 2ayz n ALA 908 N 0.00 3.20 -0.12 1.96 0.00 -1.26 -4.29 120.51 120.01 2ayz n ALA 908 Ca 0.00 -0.69 0.02 0.00 0.00 0.00 0.00 53.44 52.76 2ayz n ALA 908 Cb 0.00 -1.10 0.32 0.00 0.00 0.00 0.00 19.45 18.67 2ayz n ALA 908 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ayz h GLU 909 N 0.45 0.78 0.00 0.00 3.07 -2.00 0.57 114.58 117.45 2ayz h GLU 909 Ca 0.13 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.91 2ayz h GLU 909 Cb 1.35 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 29.08 2ayz h GLU 909 CO 0.25 0.53 -0.12 0.93 -1.40 0.00 0.00 179.01 179.20 2ayz h GLU 910 N 0.81 0.00 -0.11 2.33 4.39 -1.95 0.01 114.58 120.06 2ayz h GLU 910 Ca 0.22 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.70 2ayz h GLU 910 Cb -0.07 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.59 2ayz h GLU 910 CO -0.04 0.12 -0.81 -0.22 -1.16 0.00 0.00 179.01 176.90 2ayz h LYS 911 N 0.00 0.66 -0.00 2.33 3.64 -1.22 -2.24 116.57 119.74 2ayz h LYS 911 Ca -0.00 -0.57 -0.09 0.00 -1.27 0.00 0.00 60.65 58.72 2ayz h LYS 911 Cb 0.25 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2ayz h LYS 911 CO 0.02 1.18 -0.42 1.96 -2.27 0.00 0.00 179.45 179.91 2ayz h GLN 912 N 0.44 0.01 0.00 1.90 7.50 -0.92 -0.42 115.11 123.61 2ayz h GLN 912 Ca -0.06 -0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.06 2ayz h GLN 912 Cb 1.43 -0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.95 2ayz h GLN 912 CO 0.16 0.43 -0.12 -0.09 -1.50 0.00 0.00 178.83 177.71 2ayz h ARG 913 N 0.01 0.00 0.00 1.46 1.12 -0.83 0.16 114.38 116.30 2ayz h ARG 913 Ca -0.00 0.00 -0.15 0.00 -1.11 0.00 0.00 59.98 58.72 2ayz h ARG 913 Cb 0.75 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.69 2ayz h ARG 913 CO 0.06 0.12 -0.71 0.00 -3.11 0.00 0.00 179.97 176.33 2ayz h LEU 915 N 0.00 -0.19 0.14 0.00 4.07 0.61 -3.33 115.31 116.61 2ayz h LEU 915 Ca -0.01 -0.35 -0.30 0.00 0.08 0.00 0.00 57.88 57.31 2ayz h LEU 915 Cb 1.30 0.05 0.02 0.00 1.08 0.00 0.00 40.66 43.11 2ayz h LEU 915 CO 0.09 0.32 -1.29 1.05 -1.08 0.00 0.00 178.44 177.53 2ayz h GLU 916 N -0.78 0.44 -6.03 1.13 -0.00 -1.06 -3.48 114.58 104.80 2ayz h GLU 916 Ca -0.02 -0.69 -0.40 0.00 -0.00 0.00 0.00 59.36 58.25 2ayz h GLU 916 Cb 0.52 0.25 0.08 0.00 -0.00 0.00 0.00 28.75 29.60 2ayz h GLU 916 CO 0.04 1.31 -0.84 0.43 -0.00 0.00 0.00 179.01 179.95 2ayz n SER 917 N -3.66 -2.17 -0.53 3.06 7.64 -0.59 -4.24 113.62 113.12 2ayz n SER 917 Ca -0.12 -0.82 -0.00 0.00 1.01 0.00 0.00 58.87 58.94 2ayz n SER 917 Cb 1.03 -4.13 -0.00 0.00 -1.01 0.00 0.00 64.21 60.09 2ayz n SER 917 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ayz n GLY 918 N -1.53 0.69 0.00 0.23 0.00 -1.26 -4.81 105.19 98.51 2ayz n GLY 918 Ca -0.26 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2ayz n GLY 918 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ayz n MET 919 N 0.01 0.00 0.00 1.61 2.81 -1.26 -4.62 117.12 115.67 2ayz n MET 919 Ca -0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2ayz n MET 919 Cb 0.64 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.15 2ayz n MET 919 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2ayz n ASP 920 N 0.00 0.00 -3.98 7.83 -0.08 -0.11 -2.65 116.55 117.56 2ayz n ASP 920 Ca 0.00 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.20 2ayz n ASP 920 Cb 0.00 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.37 2ayz n ASP 920 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2ayz s SER 921 N 0.00 0.29 -0.11 1.67 1.04 -1.07 -5.01 113.70 110.51 2ayz s SER 921 Ca 0.00 -0.73 -0.01 0.00 0.48 0.00 0.00 55.95 55.69 2ayz s SER 921 Cb 0.00 0.22 0.03 0.00 0.10 0.00 0.00 66.02 66.37 2ayz s SER 921 CO 0.00 -0.56 -0.05 0.00 0.98 0.00 0.00 173.24 173.61 2ayz n LEU 923 N 4.99 0.00 -4.60 0.00 4.77 0.13 -4.95 117.00 117.34 2ayz n LEU 923 Ca -0.11 -1.31 -0.33 0.00 -0.03 0.00 0.00 56.01 54.23 2ayz n LEU 923 Cb 0.50 0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.52 2ayz n LEU 923 CO 0.15 -0.33 -0.38 -0.44 -1.33 0.00 0.00 177.39 175.06 2ayz s SER 924 N -2.36 4.67 0.28 -1.43 0.01 -1.25 -0.74 113.70 112.88 2ayz s SER 924 Ca 0.09 -0.09 0.02 0.00 1.31 0.00 0.00 55.95 57.29 2ayz s SER 924 Cb -0.01 -1.13 0.70 0.00 0.21 0.00 0.00 66.02 65.79 2ayz s SER 924 CO 0.06 0.31 1.67 0.50 0.41 0.00 0.00 173.24 176.19 2ayz h LYS 925 N 4.79 0.28 -3.57 12.44 3.64 -0.67 -2.92 116.57 130.56 2ayz h LYS 925 Ca -0.49 -0.02 -0.23 0.00 -1.27 0.00 0.00 60.65 58.64 2ayz h LYS 925 Cb 1.17 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.93 2ayz h LYS 925 CO 0.53 0.19 1.92 -0.35 -2.27 0.00 0.00 179.45 179.47 2ayz n PRO 926 N -5.14 1.31 -2.66 1.90 -0.04 -1.26 -4.89 135.00 124.22 2ayz n PRO 926 Ca 0.21 -1.07 -0.32 0.00 -0.04 0.00 0.00 63.50 62.28 2ayz n PRO 926 Cb 0.65 -2.25 -0.05 0.00 -0.04 0.00 0.00 33.50 31.81 2ayz n PRO 926 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2ayz s VAL 927 N 3.86 4.55 0.37 0.52 0.11 -1.11 -5.09 120.40 123.61 2ayz s VAL 927 Ca 0.25 1.16 0.05 0.00 -2.93 0.00 0.00 61.98 60.51 2ayz s VAL 927 Cb 0.07 -3.68 -0.06 0.00 -1.53 0.00 0.00 36.38 31.18 2ayz s VAL 927 CO -0.02 -0.52 0.05 0.42 -3.33 0.00 0.00 175.10 171.70 2ayz s THR 928 N -2.40 1.37 0.22 5.04 -4.23 -1.26 -5.00 115.64 109.38 2ayz s THR 928 Ca 0.58 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 59.01 2ayz s THR 928 Cb -0.10 -2.77 0.17 0.00 1.34 0.00 0.00 72.50 71.14 2ayz s THR 928 CO 0.25 0.00 1.73 0.25 -0.54 0.00 0.00 174.62 176.31 2ayz h LEU 929 N 1.93 0.16 -0.15 4.79 7.12 -1.98 0.30 115.31 127.49 2ayz h LEU 929 Ca -0.41 0.10 -0.02 0.00 0.13 0.00 0.00 57.88 57.67 2ayz h LEU 929 Cb 1.25 0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 41.47 2ayz h LEU 929 CO 0.72 0.09 0.02 -0.78 -0.13 0.00 0.00 178.44 178.36 2ayz h ASP 930 N 0.37 0.24 -0.45 1.25 3.58 -1.98 0.04 116.42 119.46 2ayz h ASP 930 Ca 0.33 -0.27 -0.02 0.00 0.42 0.00 0.00 57.03 57.49 2ayz h ASP 930 Cb 0.46 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 2ayz h ASP 930 CO -0.36 0.45 0.21 0.58 -2.88 0.00 0.00 179.24 177.24 2ayz h VAL 931 N 0.02 1.19 -0.31 2.25 2.07 -1.87 -0.12 116.25 119.47 2ayz h VAL 931 Ca 0.04 -0.55 -0.11 0.00 0.82 0.00 0.00 66.70 66.91 2ayz h VAL 931 Cb 0.32 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2ayz h VAL 931 CO 0.00 0.21 -0.24 -0.29 0.02 0.00 0.00 177.57 177.27 2ayz h ILE 932 N 0.59 1.27 -0.27 4.57 2.10 -0.88 -1.80 117.51 123.09 2ayz h ILE 932 Ca 0.15 -1.31 -0.11 0.00 1.08 0.00 0.00 64.86 64.68 2ayz h ILE 932 Cb 0.14 1.29 -0.01 0.00 -1.09 0.00 0.00 36.82 37.15 2ayz h ILE 932 CO -0.02 0.43 -0.28 0.50 -1.08 0.00 0.00 178.15 177.70 2ayz h LYS 933 N 0.54 0.54 0.07 2.19 3.11 -0.60 0.77 116.57 123.18 2ayz h LYS 933 Ca 0.08 -0.22 -0.00 0.00 -2.81 0.00 0.00 60.65 57.69 2ayz h LYS 933 Cb 0.71 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.91 2ayz h LYS 933 CO 0.05 0.76 -0.04 1.96 -2.81 0.00 0.00 179.45 179.38 2ayz h GLN 934 N 0.47 -0.10 -0.84 1.90 1.08 -0.69 0.54 115.11 117.48 2ayz h GLN 934 Ca 0.06 0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.24 2ayz h GLN 934 Cb 0.72 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 28.14 2ayz h GLN 934 CO 0.06 0.19 0.40 1.15 -0.95 0.00 0.00 178.83 179.67 2ayz h THR 935 N -0.38 1.26 0.47 -0.54 2.02 -1.23 -0.20 112.91 114.31 2ayz h THR 935 Ca -0.01 -0.74 -0.02 0.00 0.77 0.00 0.00 66.41 66.41 2ayz h THR 935 Cb 0.33 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 2ayz h THR 935 CO 0.02 0.32 -0.24 -0.07 0.37 0.00 0.00 175.52 175.91 2ayz h LEU 936 N 1.20 -0.59 -0.37 2.58 -0.00 -0.77 -2.09 115.31 115.28 2ayz h LEU 936 Ca 0.29 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 58.19 2ayz h LEU 936 Cb 0.13 0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.93 2ayz h LEU 936 CO -0.04 -0.40 0.21 0.74 -0.00 0.00 0.00 178.44 178.95 2ayz h THR 937 N -0.66 1.14 -0.75 0.22 2.02 -0.69 0.88 112.91 115.06 2ayz h THR 937 Ca -0.06 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 66.73 2ayz h THR 937 Cb 0.52 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 2ayz h THR 937 CO 0.09 0.14 0.27 0.25 0.37 0.00 0.00 175.52 176.64 2ayz h LEU 938 N 0.48 1.05 0.04 2.58 6.46 -1.04 -2.08 115.31 122.79 2ayz h LEU 938 Ca 0.13 -0.17 -0.24 0.00 -0.12 0.00 0.00 57.88 57.47 2ayz h LEU 938 Cb 0.04 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.67 2ayz h LEU 938 CO -0.02 0.95 -1.20 1.88 -0.62 0.00 0.00 178.44 179.42 2ayz h TYR 939 N 1.10 0.14 -0.45 1.25 0.05 -1.16 -2.45 116.97 115.45 2ayz h TYR 939 Ca 0.25 -0.10 -0.03 0.00 0.05 0.00 0.00 58.73 58.90 2ayz h TYR 939 Cb 0.25 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 2ayz h TYR 939 CO 0.02 1.09 0.17 0.00 -1.05 0.00 0.00 178.16 178.40 2ayz h ALA 940 N 0.87 0.58 -0.16 3.88 0.00 -0.66 -0.21 119.26 123.56 2ayz h ALA 940 Ca -0.10 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 2ayz h ALA 940 Cb 1.87 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 2ayz h ALA 940 CO 0.14 0.20 -0.44 1.05 0.00 0.00 0.00 179.25 180.20 2ayz h GLU 941 N 0.58 0.38 -0.20 0.00 4.11 -1.45 -0.94 114.58 117.07 2ayz h GLU 941 Ca 0.15 -0.20 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 2ayz h GLU 941 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2ayz h GLU 941 CO -0.01 0.75 0.07 -0.09 0.07 0.00 0.00 179.01 179.80 2ayz h ARG 942 N 0.31 0.30 -0.01 1.06 9.65 -0.99 -0.29 114.38 124.41 2ayz h ARG 942 Ca 0.02 -0.06 -0.13 0.00 -1.10 0.00 0.00 59.98 58.71 2ayz h ARG 942 Cb 0.90 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.41 2ayz h ARG 942 CO 0.07 0.38 -0.62 -0.39 2.80 0.00 0.00 179.97 182.21 2ayz h VAL 943 N 0.16 1.44 -0.12 0.20 -1.51 -1.01 -1.72 116.25 113.70 2ayz h VAL 943 Ca 0.07 -2.12 -0.01 0.00 -1.23 0.00 0.00 66.70 63.41 2ayz h VAL 943 Cb 0.19 2.14 -0.01 0.00 -2.13 0.00 0.00 31.29 31.49 2ayz h VAL 943 CO -0.00 0.61 0.05 0.03 -1.23 0.00 0.00 177.57 177.02 2ayz h ARG 944 N 0.01 0.17 0.00 5.19 3.08 -0.82 -0.01 114.38 122.01 2ayz h ARG 944 Ca -0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2ayz h ARG 944 Cb 1.10 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.12 2ayz h ARG 944 CO 0.08 0.27 0.00 1.57 -1.07 0.00 0.00 179.97 180.82 2ayz h LYS 945 N 0.04 0.00 0.15 0.04 2.10 -1.01 -0.32 116.57 117.57 2ayz h LYS 945 Ca 0.04 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.50 2ayz h LYS 945 Cb 0.16 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.51 2ayz h LYS 945 CO -0.00 0.00 -0.85 0.77 -2.00 0.00 0.00 179.45 177.37 2ayz h SER 946 N 0.00 0.49 -0.02 7.07 0.02 -1.07 -3.38 113.55 116.66 2ayz h SER 946 Ca 0.00 -0.95 -0.05 0.00 -0.84 0.00 0.00 61.79 59.95 2ayz h SER 946 Cb 0.76 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2ayz h SER 946 CO 0.00 1.41 -0.20 -0.09 -1.14 0.00 0.00 176.83 176.81 2ayz h ARG 947 N -0.34 0.17 -7.33 3.45 1.12 -0.98 -3.46 114.38 107.01 2ayz h ARG 947 Ca -0.15 -0.15 -0.46 0.00 -1.11 0.00 0.00 59.98 58.11 2ayz h ARG 947 Cb 1.67 0.04 0.11 0.00 -0.01 0.00 0.00 29.97 31.77 2ayz h ARG 947 CO 0.16 0.85 0.21 0.34 -3.11 0.00 0.00 179.97 178.42 2ayz s ASP 948 N -6.21 4.05 0.00 -3.80 -1.08 -0.13 -5.10 116.67 104.39 2ayz s ASP 948 Ca -0.16 -0.10 0.00 0.00 -0.52 0.00 0.00 52.55 51.77 2ayz s ASP 948 Cb 0.01 -0.21 0.00 0.00 -1.46 0.00 0.00 42.92 41.26 2ayz s ASP 948 CO 0.73 -2.08 0.00 -1.20 0.52 0.00 0.00 175.17 173.15