#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 0.18 -0.27 7.82 0.00 -1.26 -5.10 121.76 123.13 2ayz s ALA 818 Ca 0.00 0.24 -0.01 0.00 0.00 0.00 0.00 51.96 52.18 2ayz s ALA 818 Cb 0.00 -0.45 0.13 0.00 0.00 0.00 0.00 23.12 22.80 2ayz s ALA 818 CO 0.00 -0.30 0.29 0.14 0.00 0.00 0.00 175.76 175.88 2ayz s VAL 819 N 1.64 -0.41 -0.41 0.00 -7.23 -1.26 -5.10 120.40 107.63 2ayz s VAL 819 Ca -0.02 -0.38 0.01 0.00 -1.81 0.00 0.00 61.98 59.78 2ayz s VAL 819 Cb -0.13 -0.92 0.13 0.00 0.56 0.00 0.00 36.38 36.03 2ayz s VAL 819 CO -0.03 -0.39 0.22 -0.94 -0.31 0.00 0.00 175.10 173.65 2ayz s SER 820 N 2.37 3.48 -0.29 4.85 1.04 -1.26 -5.07 113.70 118.82 2ayz s SER 820 Ca 0.09 -2.46 -0.14 0.00 0.48 0.00 0.00 55.95 53.93 2ayz s SER 820 Cb -0.14 -0.85 0.14 0.00 0.10 0.00 0.00 66.02 65.26 2ayz s SER 820 CO -0.28 -0.29 0.84 -0.62 0.98 0.00 0.00 173.24 173.88 2ayz s ASP 821 N 0.61 -0.78 -0.50 7.02 2.15 -1.26 -5.10 116.67 118.81 2ayz s ASP 821 Ca 0.17 1.14 0.07 0.00 0.43 0.00 0.00 52.55 54.36 2ayz s ASP 821 Cb -0.24 1.68 0.19 0.00 -0.30 0.00 0.00 42.92 44.25 2ayz s ASP 821 CO -0.00 -0.17 0.69 0.20 -0.17 0.00 0.00 175.17 175.71 2ayz s ASN 822 N 2.17 -1.18 -0.96 -0.34 0.01 -1.26 -5.02 114.94 108.36 2ayz s ASN 822 Ca -0.06 -1.79 -0.01 0.00 -0.71 0.00 0.00 52.86 50.29 2ayz s ASN 822 Cb -0.07 1.68 0.31 0.00 0.41 0.00 0.00 41.25 43.58 2ayz s ASN 822 CO -0.18 -0.07 1.46 -0.67 -1.51 0.00 0.00 177.10 176.13 2ayz n ASP 823 N 3.04 6.23 -2.98 -1.22 -0.08 -1.26 -4.89 116.55 115.39 2ayz n ASP 823 Ca 0.19 -3.53 -0.32 0.00 -1.51 0.00 0.00 54.79 49.61 2ayz n ASP 823 Cb 0.55 -1.10 -0.05 0.00 2.34 0.00 0.00 41.12 42.87 2ayz n ASP 823 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2ayz n ASP 824 N 0.67 7.40 -4.08 1.67 -0.08 -1.26 -4.69 116.55 116.18 2ayz n ASP 824 Ca 0.34 -2.95 -0.33 0.00 -1.51 0.00 0.00 54.79 50.34 2ayz n ASP 824 Cb 0.32 -1.38 -0.14 0.00 2.34 0.00 0.00 41.12 42.27 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 -0.31 1.82 -0.43 -0.67 1.75 -1.26 -5.05 119.30 115.15 2ayz s MET 825 Ca 0.60 -1.76 -0.24 0.00 -1.25 0.00 0.00 55.69 53.04 2ayz s MET 825 Cb 0.25 -3.33 0.02 0.00 2.84 0.00 0.00 34.83 34.62 2ayz s MET 825 CO -0.11 -0.94 0.86 1.41 -0.65 0.00 0.00 175.02 175.59 2ayz s MET 826 N 1.04 3.55 -0.04 4.11 1.75 -1.26 -2.28 119.30 126.18 2ayz s MET 826 Ca 0.07 0.13 -0.00 0.00 -1.25 0.00 0.00 55.69 54.64 2ayz s MET 826 Cb -0.21 -3.90 -0.04 0.00 2.84 0.00 0.00 34.83 33.53 2ayz s MET 826 CO -0.06 -1.10 0.01 0.42 -0.65 0.00 0.00 175.02 173.64 2ayz s ILE 827 N 3.47 4.31 -0.48 10.11 -1.09 0.17 -0.86 121.20 136.83 2ayz s ILE 827 Ca 0.34 -0.43 -0.19 0.00 -2.23 0.00 0.00 60.65 58.14 2ayz s ILE 827 Cb -0.11 -2.89 0.05 0.00 -1.58 0.00 0.00 42.46 37.93 2ayz s ILE 827 CO 0.23 0.46 0.58 -0.76 -1.23 0.00 0.00 174.94 174.22 2ayz s LEU 828 N -1.32 4.97 -0.76 2.97 1.43 -0.09 -0.77 118.68 125.11 2ayz s LEU 828 Ca 0.18 -0.86 -0.20 0.00 -1.03 0.00 0.00 54.13 52.22 2ayz s LEU 828 Cb -0.12 -2.44 0.11 0.00 0.03 0.00 0.00 46.19 43.78 2ayz s LEU 828 CO 0.08 -0.81 0.95 0.68 0.23 0.00 0.00 176.35 177.47 2ayz s VAL 829 N 2.48 4.70 -0.08 -1.59 -7.23 -0.01 -0.95 120.40 117.71 2ayz s VAL 829 Ca 0.14 -1.14 0.02 0.00 -1.81 0.00 0.00 61.98 59.19 2ayz s VAL 829 Cb -0.19 -4.66 -0.02 0.00 0.56 0.00 0.00 36.38 32.07 2ayz s VAL 829 CO 0.12 -1.36 -0.14 -0.69 -0.31 0.00 0.00 175.10 172.72 2ayz s VAL 830 N 2.90 3.07 -0.26 1.32 1.01 -0.36 -2.52 120.40 125.56 2ayz s VAL 830 Ca 0.23 -0.70 -0.16 0.00 0.00 0.00 0.00 61.98 61.36 2ayz s VAL 830 Cb -0.14 -2.23 0.08 0.00 0.00 0.00 0.00 36.38 34.09 2ayz s VAL 830 CO 0.00 0.57 0.65 -0.62 0.00 0.00 0.00 175.10 175.70 2ayz s ASP 831 N -0.35 -0.86 0.31 3.32 2.15 -0.90 -0.42 116.67 119.91 2ayz s ASP 831 Ca 0.04 1.41 0.26 0.00 0.43 0.00 0.00 52.55 54.69 2ayz s ASP 831 Cb -0.12 1.30 1.00 0.00 -0.30 0.00 0.00 42.92 44.80 2ayz s ASP 831 CO 0.02 -0.23 1.77 -0.78 -0.17 0.00 0.00 175.17 175.78 2ayz h ASP 832 N 6.82 0.00 -3.87 -0.34 3.58 -1.64 -3.37 116.42 117.59 2ayz h ASP 832 Ca -0.31 0.00 -0.63 0.00 0.42 0.00 0.00 57.03 56.51 2ayz h ASP 832 Cb 1.22 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 41.86 2ayz h ASP 832 CO 0.17 0.00 -0.69 -1.00 -2.88 0.00 0.00 179.24 174.84 2ayz s HIS 833 N -3.34 2.80 0.02 0.28 3.76 -1.26 -4.84 115.29 112.72 2ayz s HIS 833 Ca 0.05 -2.78 0.01 0.00 -0.15 0.00 0.00 55.06 52.19 2ayz s HIS 833 Cb 0.10 -2.46 0.07 0.00 1.11 0.00 0.00 32.58 31.39 2ayz s HIS 833 CO 0.46 -0.81 0.08 -2.30 -0.85 0.00 0.00 174.74 171.32 2ayz n PRO 834 N 3.63 -0.00 -0.15 8.40 -0.02 -1.26 -2.37 135.00 143.24 2ayz n PRO 834 Ca 0.05 0.07 -0.04 0.00 -2.02 0.00 0.00 63.50 61.56 2ayz n PRO 834 Cb 0.36 -0.13 0.05 0.00 -0.02 0.00 0.00 33.50 33.76 2ayz n PRO 834 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2ayz h ILE 835 N 0.00 0.89 0.00 4.25 6.09 -1.95 0.61 117.51 127.40 2ayz h ILE 835 Ca 0.04 -0.13 -0.18 0.00 -1.37 0.00 0.00 64.86 63.22 2ayz h ILE 835 Cb 0.13 0.47 -0.03 0.00 0.47 0.00 0.00 36.82 37.86 2ayz h ILE 835 CO -0.03 0.07 -0.88 -1.13 -3.07 0.00 0.00 178.15 173.11 2ayz h ASN 836 N 0.39 0.00 -0.08 2.19 -1.24 -1.85 -2.68 115.58 112.30 2ayz h ASN 836 Ca 0.22 0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.25 2ayz h ASN 836 Cb 0.19 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.22 2ayz h ASN 836 CO -0.20 0.88 -0.03 -0.09 -1.29 0.00 0.00 177.43 176.70 2ayz h ARG 837 N 0.00 -0.02 0.00 6.67 2.43 -1.54 0.95 114.38 122.87 2ayz h ARG 837 Ca -0.01 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 2ayz h ARG 837 Cb 1.60 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.14 2ayz h ARG 837 CO 0.11 -0.01 -0.46 0.07 -1.51 0.00 0.00 179.97 178.17 2ayz h ARG 838 N -0.02 0.00 -0.25 0.20 -0.00 -0.91 0.21 114.38 113.61 2ayz h ARG 838 Ca 0.04 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 59.98 2ayz h ARG 838 Cb 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.05 2ayz h ARG 838 CO -0.10 0.46 -0.01 -0.07 -0.00 0.00 0.00 179.97 180.26 2ayz h LEU 839 N 0.00 0.45 -0.50 0.08 4.07 -1.11 0.36 115.31 118.66 2ayz h LEU 839 Ca -0.00 -0.32 -0.09 0.00 0.08 0.00 0.00 57.88 57.54 2ayz h LEU 839 Cb 0.83 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.43 2ayz h LEU 839 CO 0.06 0.66 -0.05 0.25 -1.08 0.00 0.00 178.44 178.28 2ayz h LEU 840 N 0.22 0.91 -1.15 1.67 5.85 -0.57 0.05 115.31 122.29 2ayz h LEU 840 Ca 0.07 -0.33 -0.07 0.00 0.84 0.00 0.00 57.88 58.38 2ayz h LEU 840 Cb 0.43 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2ayz h LEU 840 CO 0.01 1.02 -0.21 0.00 -0.34 0.00 0.00 178.44 178.93 2ayz h ALA 841 N 0.92 1.29 -0.15 1.25 0.00 -0.91 0.16 119.26 121.81 2ayz h ALA 841 Ca 0.13 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2ayz h ALA 841 Cb 0.59 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2ayz h ALA 841 CO 0.04 0.47 -0.32 0.22 0.00 0.00 0.00 179.25 179.66 2ayz h ASP 842 N 0.30 0.54 -0.27 0.00 3.58 -0.60 0.27 116.42 120.24 2ayz h ASP 842 Ca 0.05 -0.57 -0.01 0.00 0.42 0.00 0.00 57.03 56.92 2ayz h ASP 842 Cb 0.55 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 2ayz h ASP 842 CO 0.04 1.01 0.11 1.56 -2.88 0.00 0.00 179.24 179.07 2ayz h GLN 843 N 0.10 0.40 -0.25 0.28 7.50 -0.77 -0.37 115.11 121.99 2ayz h GLN 843 Ca 0.00 -0.07 -0.07 0.00 0.50 0.00 0.00 58.65 59.01 2ayz h GLN 843 Cb 0.93 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 28.38 2ayz h GLN 843 CO 0.07 0.42 -0.16 1.25 -1.50 0.00 0.00 178.83 178.92 2ayz h LEU 844 N 0.28 0.42 -1.73 1.46 5.85 -1.02 -1.35 115.31 119.22 2ayz h LEU 844 Ca 0.09 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 2ayz h LEU 844 Cb 0.17 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 2ayz h LEU 844 CO -0.01 0.61 -0.15 1.23 -0.34 0.00 0.00 178.44 179.78 2ayz h GLY 845 N 0.93 0.00 1.77 3.75 0.00 -0.44 -0.37 103.07 108.71 2ayz h GLY 845 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 2ayz h GLY 845 CO 0.03 0.00 -0.42 1.76 0.00 0.00 0.00 176.54 177.92 2ayz h SER 846 N 0.00 0.00 0.45 0.19 0.02 -0.02 -3.20 113.55 110.99 2ayz h SER 846 Ca -0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 2ayz h SER 846 Cb 0.43 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 2ayz h SER 846 CO 0.02 0.20 -0.86 -0.07 -1.14 0.00 0.00 176.83 174.98 2ayz h LEU 847 N 0.00 0.37 0.00 5.07 -0.00 -0.32 -3.48 115.31 116.95 2ayz h LEU 847 Ca -0.01 -0.28 0.00 0.00 -0.00 0.00 0.00 57.88 57.58 2ayz h LEU 847 Cb 1.17 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.72 2ayz h LEU 847 CO 0.02 1.07 0.00 0.61 -0.00 0.00 0.00 178.44 180.14 2ayz n GLY 848 N 0.82 1.74 3.53 0.83 0.00 -0.28 -5.10 105.19 106.72 2ayz n GLY 848 Ca -0.05 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.00 2.50 -0.01 1.61 1.51 -1.11 -5.00 117.35 114.85 2ayz s TYR 849 Ca 0.00 -0.27 -0.30 0.00 -1.01 0.00 0.00 57.07 55.49 2ayz s TYR 849 Cb 0.00 -1.18 -0.07 0.00 -0.11 0.00 0.00 41.96 40.60 2ayz s TYR 849 CO 0.00 0.57 1.73 -0.65 -1.11 0.00 0.00 175.55 176.09 2ayz s GLN 850 N -3.08 4.17 -0.46 -0.62 -0.21 -0.96 -4.53 119.66 113.96 2ayz s GLN 850 Ca 0.26 2.32 -0.09 0.00 0.02 0.00 0.00 55.36 57.87 2ayz s GLN 850 Cb -0.07 -3.96 0.12 0.00 1.00 0.00 0.00 33.01 30.09 2ayz s GLN 850 CO 0.15 -0.85 0.33 0.00 -2.12 0.00 0.00 175.29 172.79 2ayz s LYS 852 N 1.35 3.66 -0.14 0.00 3.01 0.05 -4.84 119.74 122.84 2ayz s LYS 852 Ca 0.06 0.19 -0.19 0.00 -1.01 0.00 0.00 55.97 55.01 2ayz s LYS 852 Cb -0.26 -3.84 -0.04 0.00 -1.01 0.00 0.00 37.83 32.68 2ayz s LYS 852 CO -0.01 -0.91 0.54 0.99 0.51 0.00 0.00 175.35 176.47 2ayz s THR 853 N 3.12 5.13 0.19 2.17 2.01 -1.26 -0.83 115.64 126.17 2ayz s THR 853 Ca 0.30 1.06 -0.04 0.00 0.31 0.00 0.00 61.69 63.32 2ayz s THR 853 Cb -0.13 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.48 2ayz s THR 853 CO 0.18 0.26 0.20 0.00 -0.69 0.00 0.00 174.62 174.57 2ayz s ALA 854 N 1.01 0.71 -0.40 7.40 0.00 -1.05 -5.00 121.76 124.43 2ayz s ALA 854 Ca 0.28 -1.40 0.07 0.00 0.00 0.00 0.00 51.96 50.90 2ayz s ALA 854 Cb -0.16 1.18 0.23 0.00 0.00 0.00 0.00 23.12 24.37 2ayz s ALA 854 CO 0.11 -0.63 0.50 0.27 0.00 0.00 0.00 175.76 176.01 2ayz n ASN 855 N -0.25 -0.23 0.00 0.00 6.94 -1.26 -2.11 115.26 118.34 2ayz n ASN 855 Ca -0.01 -2.65 0.00 0.00 -0.02 0.00 0.00 54.58 51.90 2ayz n ASN 855 Cb 0.64 -0.44 0.00 0.00 -2.36 0.00 0.00 39.78 37.63 2ayz n ASN 855 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2ayz n ASP 856 N 1.82 0.00 -0.07 0.53 -0.08 -1.26 -4.43 116.55 113.05 2ayz n ASP 856 Ca 0.23 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.36 2ayz n ASP 856 Cb 0.52 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.95 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 0.94 1.98 0.27 0.00 -1.95 -2.49 103.07 101.81 2ayz h GLY 857 Ca 0.00 -1.09 -0.14 0.00 0.00 0.00 0.00 47.33 46.10 2ayz h GLY 857 CO 0.00 0.98 -0.64 -0.39 0.00 0.00 0.00 176.54 176.49 2ayz h VAL 858 N 0.66 1.46 -0.72 4.60 -1.51 -1.95 -2.91 116.25 115.88 2ayz h VAL 858 Ca 0.01 -2.19 0.00 0.00 -1.23 0.00 0.00 66.70 63.29 2ayz h VAL 858 Cb 1.15 2.18 -0.04 0.00 -2.13 0.00 0.00 31.29 32.45 2ayz h VAL 858 CO 0.12 0.63 0.47 -0.78 -1.23 0.00 0.00 177.57 176.77 2ayz h ASP 859 N 0.02 0.83 -0.54 4.19 3.58 -1.87 -0.17 116.42 122.46 2ayz h ASP 859 Ca -0.01 -0.03 -0.09 0.00 0.42 0.00 0.00 57.03 57.32 2ayz h ASP 859 Cb 1.14 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.96 2ayz h ASP 859 CO 0.09 0.61 0.01 0.00 -2.88 0.00 0.00 179.24 177.06 2ayz h ALA 860 N 1.25 0.93 -0.12 -0.78 0.00 -1.33 -1.56 119.26 117.65 2ayz h ALA 860 Ca 0.26 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2ayz h ALA 860 Cb -0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2ayz h ALA 860 CO -0.05 0.64 -0.45 1.25 0.00 0.00 0.00 179.25 180.64 2ayz h LEU 861 N 0.91 0.30 -0.30 0.00 5.85 -1.27 -1.03 115.31 119.77 2ayz h LEU 861 Ca 0.17 -0.13 -0.13 0.00 0.84 0.00 0.00 57.88 58.63 2ayz h LEU 861 Cb 0.52 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 2ayz h LEU 861 CO 0.03 0.71 -0.31 -1.13 -0.34 0.00 0.00 178.44 177.39 2ayz h ASN 862 N 0.23 0.79 0.53 1.25 -1.24 -0.67 -2.60 115.58 113.86 2ayz h ASN 862 Ca 0.02 -0.48 -0.14 0.00 0.71 0.00 0.00 56.30 56.41 2ayz h ASN 862 Cb 0.89 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.70 2ayz h ASN 862 CO 0.07 1.11 -0.64 1.62 -1.29 0.00 0.00 177.43 178.29 2ayz h VAL 863 N 0.49 1.43 -0.57 2.57 3.04 -1.23 -2.54 116.25 119.44 2ayz h VAL 863 Ca 0.04 -2.14 0.05 0.00 -1.01 0.00 0.00 66.70 63.64 2ayz h VAL 863 Cb 0.89 2.13 -0.05 0.00 -2.01 0.00 0.00 31.29 32.26 2ayz h VAL 863 CO 0.08 0.62 0.30 0.25 -1.01 0.00 0.00 177.57 177.81 2ayz h LEU 864 N 0.08 0.43 -0.50 3.16 7.12 -1.06 0.82 115.31 125.35 2ayz h LEU 864 Ca -0.01 0.03 -0.17 0.00 0.13 0.00 0.00 57.88 57.86 2ayz h LEU 864 Cb 1.15 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 41.22 2ayz h LEU 864 CO 0.09 0.29 -0.71 0.77 -0.13 0.00 0.00 178.44 178.76 2ayz h SER 865 N 0.57 0.29 0.43 1.25 4.64 -1.32 -3.27 113.55 116.14 2ayz h SER 865 Ca 0.25 -0.19 -0.28 0.00 -0.47 0.00 0.00 61.79 61.11 2ayz h SER 865 Cb 0.16 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.17 2ayz h SER 865 CO -0.17 0.90 -1.22 0.11 -0.87 0.00 0.00 176.83 175.58 2ayz h LYS 866 N 0.17 0.40 0.00 4.77 6.56 -1.14 -3.46 116.57 123.87 2ayz h LYS 866 Ca -0.02 -0.60 0.00 0.00 -1.06 0.00 0.00 60.65 58.97 2ayz h LYS 866 Cb 1.26 0.21 0.00 0.00 -0.57 0.00 0.00 32.23 33.13 2ayz h LYS 866 CO 0.11 1.26 0.00 -1.71 -2.06 0.00 0.00 179.45 177.05 2ayz n ASN 867 N -3.65 0.00 0.00 0.86 2.85 0.25 -5.10 115.26 110.48 2ayz n ASN 867 Ca -0.10 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 2ayz n ASN 867 Cb 0.99 0.00 0.00 0.00 1.24 0.00 0.00 39.78 42.01 2ayz n ASN 867 CO 0.00 0.00 0.00 1.57 -2.11 0.00 0.00 177.26 176.72 2ayz n HIS 868 N 0.00 -0.18 -1.12 1.20 -0.00 -1.25 -4.93 115.22 108.94 2ayz n HIS 868 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2ayz n HIS 868 Cb 0.00 0.33 0.00 0.00 -0.00 0.00 0.00 29.99 30.32 2ayz n HIS 868 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 2ayz n ILE 869 N -1.99 -3.26 -0.12 3.57 -0.00 -1.26 -4.79 119.36 111.50 2ayz n ILE 869 Ca 0.00 1.44 -0.26 0.00 -0.00 0.00 0.00 62.75 63.93 2ayz n ILE 869 Cb 0.00 -2.10 -0.09 0.00 -0.00 0.00 0.00 39.64 37.45 2ayz n ILE 869 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 2ayz n ASP 870 N -1.47 1.75 -4.17 4.38 -0.08 -0.04 -5.00 116.55 111.92 2ayz n ASP 870 Ca 0.00 0.28 -0.26 0.00 -1.51 0.00 0.00 54.79 53.30 2ayz n ASP 870 Cb 0.13 -0.71 -0.16 0.00 2.34 0.00 0.00 41.12 42.73 2ayz n ASP 870 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2ayz s ILE 871 N -2.45 1.51 -0.12 5.18 1.01 -1.19 -4.22 121.20 120.92 2ayz s ILE 871 Ca -0.34 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.53 2ayz s ILE 871 Cb 0.13 -1.28 -0.01 0.00 0.01 0.00 0.00 42.46 41.31 2ayz s ILE 871 CO 0.44 0.43 -0.14 -0.69 0.00 0.00 0.00 174.94 174.97 2ayz s VAL 872 N -0.17 2.97 -0.35 2.92 1.01 -1.08 -0.91 120.40 124.78 2ayz s VAL 872 Ca 0.01 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.32 2ayz s VAL 872 Cb -0.10 -2.23 0.10 0.00 0.00 0.00 0.00 36.38 34.15 2ayz s VAL 872 CO 0.01 0.53 0.07 -0.76 0.00 0.00 0.00 175.10 174.95 2ayz s LEU 873 N 0.23 4.68 -0.42 3.92 1.43 -0.12 -0.63 118.68 127.77 2ayz s LEU 873 Ca -0.09 -2.22 -0.12 0.00 -1.03 0.00 0.00 54.13 50.67 2ayz s LEU 873 Cb -0.16 -1.62 0.06 0.00 0.03 0.00 0.00 46.19 44.51 2ayz s LEU 873 CO 0.05 -0.37 0.29 -0.94 0.23 0.00 0.00 176.35 175.61 2ayz s SER 874 N 0.82 5.82 -0.12 2.29 1.04 -0.94 -1.22 113.70 121.38 2ayz s SER 874 Ca 0.11 -1.33 -0.08 0.00 0.48 0.00 0.00 55.95 55.14 2ayz s SER 874 Cb -0.20 -2.06 -0.04 0.00 0.10 0.00 0.00 66.02 63.83 2ayz s SER 874 CO -0.08 -0.53 0.15 -0.62 0.98 0.00 0.00 173.24 173.14 2ayz s ASP 875 N 2.12 6.39 -0.06 7.02 2.15 0.44 -0.91 116.67 133.81 2ayz s ASP 875 Ca 0.03 0.47 0.04 0.00 0.43 0.00 0.00 52.55 53.52 2ayz s ASP 875 Cb -0.22 -2.08 -0.00 0.00 -0.30 0.00 0.00 42.92 40.32 2ayz s ASP 875 CO 0.05 0.38 -0.19 -0.69 -0.17 0.00 0.00 175.17 174.55 2ayz s VAL 876 N -0.89 1.64 -0.26 1.11 1.01 -0.76 -2.14 120.40 120.11 2ayz s VAL 876 Ca 0.15 -0.81 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 2ayz s VAL 876 Cb -0.12 -1.42 -0.14 0.00 0.00 0.00 0.00 36.38 34.70 2ayz s VAL 876 CO 0.04 0.47 -0.22 -3.20 0.00 0.00 0.00 175.10 172.19 2ayz n ASN 877 N 3.33 1.95 -4.56 3.32 2.85 -1.26 -3.80 115.26 117.09 2ayz n ASN 877 Ca -0.19 0.30 -0.45 0.00 -0.11 0.00 0.00 54.58 54.12 2ayz n ASN 877 Cb 0.53 -0.81 -0.04 0.00 1.24 0.00 0.00 39.78 40.70 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 -4.16 1.73 0.00 1.20 1.56 -1.26 -4.83 117.12 111.36 2ayz n MET 878 Ca -0.49 0.48 0.15 0.00 -0.27 0.00 0.00 57.70 57.57 2ayz n MET 878 Cb 0.87 -2.99 0.77 0.00 2.15 0.00 0.00 33.22 34.02 2ayz n MET 878 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 2ayz n PRO 879 N 8.50 0.92 0.00 2.12 -0.04 -1.26 -3.52 135.00 141.71 2ayz n PRO 879 Ca 0.33 -0.20 0.06 0.00 -0.04 0.00 0.00 63.50 63.64 2ayz n PRO 879 Cb 0.38 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.67 2ayz n PRO 879 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2ayz n ASN 880 N -0.87 0.00 -3.42 3.54 5.15 -1.26 -4.42 115.26 113.98 2ayz n ASN 880 Ca 0.19 -1.64 -0.15 0.00 -0.60 0.00 0.00 54.58 52.37 2ayz n ASN 880 Cb 0.21 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.36 2ayz n ASN 880 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 2ayz s MET 881 N -2.00 0.28 -0.35 1.20 1.75 -1.23 -5.11 119.30 113.84 2ayz s MET 881 Ca 0.17 0.19 -0.41 0.00 -1.25 0.00 0.00 55.69 54.39 2ayz s MET 881 Cb 0.08 -0.83 -0.16 0.00 2.84 0.00 0.00 34.83 36.76 2ayz s MET 881 CO 0.13 -0.77 1.85 -0.40 -0.65 0.00 0.00 175.02 175.18 2ayz n ASP 882 N 5.33 1.98 0.00 1.11 5.75 -1.26 -4.77 116.55 124.69 2ayz n ASP 882 Ca -0.04 0.93 0.00 0.00 -0.01 0.00 0.00 54.79 55.67 2ayz n ASP 882 Cb 0.49 -1.09 0.02 0.00 -1.03 0.00 0.00 41.12 39.51 2ayz n ASP 882 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ayz n GLY 883 N 5.01 -0.44 0.13 6.12 0.00 -1.26 -1.63 105.19 113.11 2ayz n GLY 883 Ca 0.33 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.53 0.46 0.26 1.61 4.11 -1.26 -4.60 117.16 117.22 2ayz n TYR 884 Ca 0.01 0.11 0.13 0.00 -0.00 0.00 0.00 57.90 58.15 2ayz n TYR 884 Cb 0.00 -1.06 0.82 0.00 -0.00 0.00 0.00 39.34 39.10 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 0.02 0.00 0.00 -3.48 1.12 -1.67 0.12 114.38 110.49 2ayz h ARG 885 Ca -0.51 0.00 -0.09 0.00 -1.11 0.00 0.00 59.98 58.27 2ayz h ARG 885 Cb 1.99 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.94 2ayz h ARG 885 CO -0.01 0.00 -0.44 1.37 -3.11 0.00 0.00 179.97 177.78 2ayz h LEU 886 N 0.00 0.00 -0.69 3.80 -0.00 -1.81 -1.69 115.31 114.91 2ayz h LEU 886 Ca 0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.77 2ayz h LEU 886 Cb 0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.74 2ayz h LEU 886 CO -0.00 0.44 -0.59 0.74 -0.00 0.00 0.00 178.44 179.03 2ayz h THR 887 N 0.00 1.31 -0.81 0.15 2.02 -1.04 -2.37 112.91 112.17 2ayz h THR 887 Ca -0.00 -2.12 0.01 0.00 0.77 0.00 0.00 66.41 65.07 2ayz h THR 887 Cb 1.30 2.18 -0.04 0.00 -1.74 0.00 0.00 68.15 69.85 2ayz h THR 887 CO 0.06 0.58 0.54 -0.61 0.37 0.00 0.00 175.52 176.46 2ayz h GLN 888 N 0.00 1.06 -0.60 6.66 5.75 -1.08 0.69 115.11 127.59 2ayz h GLN 888 Ca -0.01 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.42 2ayz h GLN 888 Cb 1.13 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 29.41 2ayz h GLN 888 CO 0.08 0.70 0.32 0.00 -2.65 0.00 0.00 178.83 177.28 2ayz h ARG 889 N 1.09 0.82 -0.54 1.69 2.47 -1.20 -1.92 114.38 116.79 2ayz h ARG 889 Ca 0.30 -0.09 -0.08 0.00 -1.26 0.00 0.00 59.98 58.86 2ayz h ARG 889 Cb -0.11 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.02 2ayz h ARG 889 CO -0.07 0.61 0.03 0.82 0.56 0.00 0.00 179.97 181.92 2ayz h ILE 890 N 0.83 1.25 -0.10 2.04 2.04 -0.67 -0.00 117.51 122.90 2ayz h ILE 890 Ca 0.21 -1.02 -0.05 0.00 1.00 0.00 0.00 64.86 65.00 2ayz h ILE 890 Cb 0.03 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 2ayz h ILE 890 CO -0.03 0.37 -0.15 0.08 0.00 0.00 0.00 178.15 178.41 2ayz h ARG 891 N 0.84 0.15 0.00 2.37 0.11 -0.18 0.99 114.38 118.66 2ayz h ARG 891 Ca 0.16 -0.03 -0.21 0.00 0.10 0.00 0.00 59.98 60.00 2ayz h ARG 891 Cb 0.46 -0.02 -0.03 0.00 1.11 0.00 0.00 29.97 31.48 2ayz h ARG 891 CO 0.02 0.31 -1.03 1.96 0.10 0.00 0.00 179.97 181.33 2ayz h GLN 892 N 0.14 0.00 -0.20 0.08 4.20 -0.99 -3.28 115.11 115.06 2ayz h GLN 892 Ca 0.03 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 2ayz h GLN 892 Cb 0.37 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2ayz h GLN 892 CO 0.02 0.98 -0.03 1.25 -0.67 0.00 0.00 178.83 180.38 2ayz h LEU 893 N 0.00 0.37 0.00 1.46 5.85 -0.13 -3.48 115.31 119.38 2ayz h LEU 893 Ca -0.02 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.36 2ayz h LEU 893 Cb 1.78 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.71 2ayz h LEU 893 CO 0.13 0.62 0.00 0.61 -0.34 0.00 0.00 178.44 179.46 2ayz n GLY 894 N -0.21 0.66 3.74 3.75 0.00 0.26 -5.09 105.19 108.30 2ayz n GLY 894 Ca -0.05 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 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 4.53 0.00 0.99 2.34 -1.18 -4.90 118.68 120.46 2ayz s LEU 895 Ca 0.00 1.90 0.14 0.00 0.06 0.00 0.00 54.13 56.23 2ayz s LEU 895 Cb 0.00 -3.60 0.23 0.00 -0.56 0.00 0.00 46.19 42.27 2ayz s LEU 895 CO 0.00 -0.05 1.07 0.41 -1.06 0.00 0.00 176.35 176.72 2ayz n THR 896 N 2.39 0.00 -3.88 5.48 -1.04 -1.26 -5.07 114.28 110.90 2ayz n THR 896 Ca 0.01 -0.55 -0.10 0.00 -2.04 0.00 0.00 64.05 61.38 2ayz n THR 896 Cb 0.48 0.75 -0.09 0.00 -1.82 0.00 0.00 70.33 69.65 2ayz n THR 896 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 2ayz s LEU 897 N 0.00 1.55 -0.16 -4.42 2.34 -1.26 -5.12 118.68 111.61 2ayz s LEU 897 Ca 0.19 -0.39 -0.29 0.00 0.06 0.00 0.00 54.13 53.69 2ayz s LEU 897 Cb 0.21 0.78 -0.03 0.00 -0.56 0.00 0.00 46.19 46.58 2ayz s LEU 897 CO -0.09 -0.50 1.59 -2.84 -1.06 0.00 0.00 176.35 173.44 2ayz s PRO 898 N -2.33 3.98 -0.21 1.48 0.02 -1.26 -4.92 135.00 131.77 2ayz s PRO 898 Ca -0.07 1.85 -0.04 0.00 0.02 0.00 0.00 61.00 62.76 2ayz s PRO 898 Cb -0.02 -3.98 -0.01 0.00 0.02 0.00 0.00 34.50 30.50 2ayz s PRO 898 CO -0.03 -1.06 -0.04 0.08 -0.33 0.00 0.00 177.00 175.62 2ayz s VAL 899 N 4.59 3.50 -0.33 3.83 1.01 -1.07 -2.65 120.40 129.28 2ayz s VAL 899 Ca 0.70 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 62.15 2ayz s VAL 899 Cb -0.27 -2.58 0.03 0.00 0.00 0.00 0.00 36.38 33.55 2ayz s VAL 899 CO 0.27 0.43 0.11 -0.63 0.00 0.00 0.00 175.10 175.29 2ayz s ILE 900 N 1.26 3.95 -0.46 2.22 1.01 0.20 -1.32 121.20 128.07 2ayz s ILE 900 Ca 0.03 -0.96 -0.20 0.00 0.00 0.00 0.00 60.65 59.52 2ayz s ILE 900 Cb -0.14 -3.17 0.03 0.00 0.01 0.00 0.00 42.46 39.19 2ayz s ILE 900 CO -0.01 -0.11 0.60 -0.83 0.00 0.00 0.00 174.94 174.59 2ayz s GLY 901 N 1.45 1.76 -0.23 6.18 0.00 -0.57 -2.22 107.32 113.70 2ayz s GLY 901 Ca 0.00 -1.43 -0.29 0.00 0.00 0.00 0.00 44.72 43.00 2ayz s GLY 901 CO 0.03 1.45 1.02 0.14 0.00 0.00 0.00 173.10 175.74 2ayz s VAL 902 N 2.65 4.70 0.05 1.40 1.01 -0.09 -0.77 120.40 129.34 2ayz s VAL 902 Ca 0.18 1.99 0.02 0.00 0.00 0.00 0.00 61.98 64.17 2ayz s VAL 902 Cb -0.16 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 2ayz s VAL 902 CO 0.16 -0.17 -0.07 0.42 0.00 0.00 0.00 175.10 175.44 2ayz s THR 903 N 3.14 0.51 0.73 3.92 -4.23 -0.00 -1.82 115.64 117.88 2ayz s THR 903 Ca 0.43 -1.22 -0.12 0.00 -1.18 0.00 0.00 61.69 59.61 2ayz s THR 903 Cb -0.15 -0.77 0.03 0.00 1.34 0.00 0.00 72.50 72.95 2ayz s THR 903 CO 0.06 -0.49 1.11 0.00 -0.54 0.00 0.00 174.62 174.76 2ayz s ALA 904 N -1.82 2.79 0.00 3.99 0.00 -1.25 -1.02 121.76 124.45 2ayz s ALA 904 Ca -0.07 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.54 2ayz s ALA 904 Cb -0.07 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 20.02 2ayz s ALA 904 CO -0.01 -1.27 0.00 -1.71 0.00 0.00 0.00 175.76 172.77 2ayz n ASN 905 N -3.09 0.00 -3.78 0.00 2.85 -1.26 -4.75 115.26 105.22 2ayz n ASN 905 Ca 0.07 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.28 2ayz n ASN 905 Cb 0.57 0.00 0.04 0.00 1.24 0.00 0.00 39.78 41.63 2ayz n ASN 905 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ayz n ALA 906 N 0.25 -1.57 -0.11 5.20 0.00 -1.26 -4.90 120.51 118.12 2ayz n ALA 906 Ca 0.00 0.09 -0.20 0.00 0.00 0.00 0.00 53.44 53.33 2ayz n ALA 906 Cb 0.00 -3.66 -0.12 0.00 0.00 0.00 0.00 19.45 15.67 2ayz n ALA 906 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ayz n LEU 907 N -4.56 2.81 -2.52 0.00 4.32 -1.26 -4.48 117.00 111.30 2ayz n LEU 907 Ca -0.09 -0.03 -0.31 0.00 -0.02 0.00 0.00 56.01 55.56 2ayz n LEU 907 Cb 0.59 -0.94 0.03 0.00 -1.62 0.00 0.00 43.42 41.48 2ayz n LEU 907 CO 0.71 0.88 0.76 0.00 -1.22 0.00 0.00 177.39 178.52 2ayz n ALA 908 N -3.32 5.66 -0.10 -1.18 0.00 -1.26 -4.76 120.51 115.55 2ayz n ALA 908 Ca -0.44 -4.07 -0.11 0.00 0.00 0.00 0.00 53.44 48.81 2ayz n ALA 908 Cb 0.98 -1.10 0.01 0.00 0.00 0.00 0.00 19.45 19.35 2ayz n ALA 908 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2ayz h GLU 909 N 2.57 0.88 -0.80 0.00 -0.00 -1.98 -1.04 114.58 114.21 2ayz h GLU 909 Ca 0.43 -0.44 0.02 0.00 -0.00 0.00 0.00 59.36 59.38 2ayz h GLU 909 Cb 0.73 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.44 2ayz h GLU 909 CO 1.11 1.08 0.52 0.93 -0.00 0.00 0.00 179.01 182.65 2ayz h GLU 910 N 0.73 1.00 -0.49 1.06 4.39 -1.95 0.80 114.58 120.12 2ayz h GLU 910 Ca 0.07 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 2ayz h GLU 910 Cb 0.92 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 2ayz h GLU 910 CO 0.09 0.66 0.01 -0.22 -1.16 0.00 0.00 179.01 178.39 2ayz h LYS 911 N 1.03 0.86 -0.11 2.33 3.64 -1.85 -2.71 116.57 119.75 2ayz h LYS 911 Ca 0.31 -0.27 -0.17 0.00 -1.27 0.00 0.00 60.65 59.25 2ayz h LYS 911 Cb -0.05 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 2ayz h LYS 911 CO -0.09 0.89 -0.66 1.96 -2.27 0.00 0.00 179.45 179.28 2ayz h GLN 912 N 0.72 0.45 -0.22 1.90 4.20 -0.79 -1.92 115.11 119.45 2ayz h GLN 912 Ca 0.14 -0.33 -0.07 0.00 0.06 0.00 0.00 58.65 58.45 2ayz h GLN 912 Cb 0.50 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 2ayz h GLN 912 CO 0.02 0.95 -0.19 -0.09 -0.67 0.00 0.00 178.83 178.85 2ayz h ARG 913 N 0.32 0.38 0.00 1.46 2.43 -0.78 0.13 114.38 118.32 2ayz h ARG 913 Ca -0.02 -0.12 -0.12 0.00 -0.81 0.00 0.00 59.98 58.91 2ayz h ARG 913 Cb 1.22 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 2ayz h ARG 913 CO 0.12 0.56 -0.59 0.00 -1.51 0.00 0.00 179.97 178.55 2ayz h LEU 915 N 0.00 -0.13 0.10 0.00 -0.00 -0.24 -3.34 115.31 111.70 2ayz h LEU 915 Ca -0.01 -0.43 -0.29 0.00 -0.00 0.00 0.00 57.88 57.16 2ayz h LEU 915 Cb 1.19 0.03 0.02 0.00 -0.00 0.00 0.00 40.66 41.91 2ayz h LEU 915 CO 0.08 0.43 -1.25 1.05 -0.00 0.00 0.00 178.44 178.75 2ayz h GLU 916 N -0.76 0.46 -6.25 1.13 -0.00 -0.94 -3.47 114.58 104.75 2ayz h GLU 916 Ca -0.02 -0.68 -0.45 0.00 -0.00 0.00 0.00 59.36 58.21 2ayz h GLU 916 Cb 0.55 0.24 0.00 0.00 -0.00 0.00 0.00 28.75 29.54 2ayz h GLU 916 CO 0.03 1.30 -0.83 0.45 -0.00 0.00 0.00 179.01 179.96 2ayz n SER 917 N -3.69 -1.73 -0.10 3.06 2.88 -0.79 -3.89 113.62 109.36 2ayz n SER 917 Ca -0.12 -0.86 0.00 0.00 -1.33 0.00 0.00 58.87 56.56 2ayz n SER 917 Cb 1.00 -3.75 0.00 0.00 -0.75 0.00 0.00 64.21 60.71 2ayz n SER 917 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ayz n GLY 918 N -1.69 -1.55 0.00 0.46 0.00 -1.26 -4.62 105.19 96.54 2ayz n GLY 918 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2ayz n GLY 918 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2ayz n MET 919 N 0.00 0.00 0.00 1.61 0.00 -1.26 -4.65 117.12 112.82 2ayz n MET 919 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2ayz n MET 919 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.75 2ayz n MET 919 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2ayz n ASP 920 N 0.00 0.00 -3.80 6.12 -0.08 -0.43 -2.60 116.55 115.76 2ayz n ASP 920 Ca 0.00 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.19 2ayz n ASP 920 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 2ayz n ASP 920 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2ayz s SER 921 N 0.00 0.03 0.12 1.67 0.01 -1.09 -5.01 113.70 109.42 2ayz s SER 921 Ca 0.00 -0.55 0.08 0.00 1.31 0.00 0.00 55.95 56.79 2ayz s SER 921 Cb 0.00 0.37 -0.04 0.00 0.21 0.00 0.00 66.02 66.56 2ayz s SER 921 CO 0.00 -0.75 -0.14 0.00 0.41 0.00 0.00 173.24 172.76 2ayz s LEU 923 N -2.26 2.04 0.08 0.00 1.43 0.05 -4.89 118.68 115.12 2ayz s LEU 923 Ca 0.20 -1.30 -0.12 0.00 -1.03 0.00 0.00 54.13 51.88 2ayz s LEU 923 Cb -0.11 -0.22 -0.06 0.00 0.03 0.00 0.00 46.19 45.84 2ayz s LEU 923 CO 0.12 -0.59 0.44 -0.44 0.23 0.00 0.00 176.35 176.11 2ayz s SER 924 N -3.35 6.73 0.20 2.29 0.01 -1.26 -0.82 113.70 117.50 2ayz s SER 924 Ca 0.33 0.90 -0.15 0.00 1.31 0.00 0.00 55.95 58.34 2ayz s SER 924 Cb 0.07 -2.22 0.19 0.00 0.21 0.00 0.00 66.02 64.27 2ayz s SER 924 CO 0.11 0.19 1.64 0.50 0.41 0.00 0.00 173.24 176.09 2ayz h LYS 925 N 3.92 -0.01 -3.09 12.44 3.64 -1.38 -3.14 116.57 128.94 2ayz h LYS 925 Ca -0.50 0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 58.42 2ayz h LYS 925 Cb 1.20 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.03 2ayz h LYS 925 CO 0.65 -0.01 2.73 -2.30 -2.27 0.00 0.00 179.45 178.25 2ayz n PRO 926 N -5.40 2.66 -2.43 1.90 -0.02 -1.26 -4.93 135.00 125.53 2ayz n PRO 926 Ca 0.06 -1.66 -0.36 0.00 -2.02 0.00 0.00 63.50 59.52 2ayz n PRO 926 Cb 0.30 -2.51 -0.03 0.00 -0.02 0.00 0.00 33.50 31.24 2ayz n PRO 926 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2ayz s VAL 927 N 2.64 3.49 0.54 -1.45 -7.23 -1.19 -5.06 120.40 112.13 2ayz s VAL 927 Ca 0.53 1.10 0.02 0.00 -1.81 0.00 0.00 61.98 61.83 2ayz s VAL 927 Cb 0.15 -3.55 0.02 0.00 0.56 0.00 0.00 36.38 33.56 2ayz s VAL 927 CO -0.04 -0.03 0.16 0.42 -0.31 0.00 0.00 175.10 175.30 2ayz s THR 928 N -1.65 1.21 0.09 5.32 -4.23 -1.26 -4.97 115.64 110.15 2ayz s THR 928 Ca 0.61 -1.81 -0.20 0.00 -1.18 0.00 0.00 61.69 59.11 2ayz s THR 928 Cb -0.24 -2.02 -0.09 0.00 1.34 0.00 0.00 72.50 71.49 2ayz s THR 928 CO 0.30 0.00 1.66 0.25 -0.54 0.00 0.00 174.62 176.28 2ayz h LEU 929 N 1.05 0.23 -0.14 4.79 7.12 -1.98 -0.10 115.31 126.28 2ayz h LEU 929 Ca -0.41 -0.13 -0.18 0.00 0.13 0.00 0.00 57.88 57.29 2ayz h LEU 929 Cb 1.32 -0.06 0.01 0.00 -0.53 0.00 0.00 40.66 41.40 2ayz h LEU 929 CO 0.67 0.29 -0.61 -0.78 -0.13 0.00 0.00 178.44 177.88 2ayz h ASP 930 N 0.14 0.77 -0.80 1.25 3.58 -1.99 -1.84 116.42 117.53 2ayz h ASP 930 Ca 0.06 -0.63 0.00 0.00 0.42 0.00 0.00 57.03 56.88 2ayz h ASP 930 Cb 0.13 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 40.91 2ayz h ASP 930 CO -0.01 1.27 0.51 0.58 -2.88 0.00 0.00 179.24 178.71 2ayz h VAL 931 N 0.32 1.21 -0.59 2.25 2.07 -1.96 -0.81 116.25 118.75 2ayz h VAL 931 Ca -0.04 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 2ayz h VAL 931 Cb 1.25 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2ayz h VAL 931 CO 0.13 0.22 0.09 0.40 0.02 0.00 0.00 177.57 178.42 2ayz h ILE 932 N 1.10 1.25 -0.13 4.57 2.04 -0.85 -2.67 117.51 122.81 2ayz h ILE 932 Ca 0.29 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 2ayz h ILE 932 Cb -0.09 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 2ayz h ILE 932 CO -0.06 0.36 0.03 0.50 0.00 0.00 0.00 178.15 178.99 2ayz h LYS 933 N 0.90 0.21 -0.11 2.37 3.64 -0.32 0.61 116.57 123.86 2ayz h LYS 933 Ca 0.18 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2ayz h LYS 933 Cb 0.41 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2ayz h LYS 933 CO 0.01 0.36 0.07 -0.56 -2.27 0.00 0.00 179.45 177.06 2ayz h GLN 934 N 0.01 0.15 -0.37 1.90 3.07 -1.29 0.04 115.11 118.63 2ayz h GLN 934 Ca 0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 58.65 58.75 2ayz h GLN 934 Cb 0.25 -0.03 -0.02 0.00 0.08 0.00 0.00 27.48 27.76 2ayz h GLN 934 CO -0.00 0.13 0.15 1.15 0.09 0.00 0.00 178.83 180.35 2ayz h THR 935 N 0.13 1.19 -0.25 1.86 2.02 -1.42 -1.30 112.91 115.13 2ayz h THR 935 Ca 0.04 -0.56 -0.03 0.00 0.77 0.00 0.00 66.41 66.63 2ayz h THR 935 Cb 0.01 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2ayz h THR 935 CO -0.01 0.20 0.03 -0.07 0.37 0.00 0.00 175.52 176.05 2ayz h LEU 936 N 0.45 0.41 -0.65 2.58 -0.00 -0.74 -2.14 115.31 115.21 2ayz h LEU 936 Ca 0.12 -0.27 -0.03 0.00 -0.00 0.00 0.00 57.88 57.70 2ayz h LEU 936 Cb 0.17 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 40.69 2ayz h LEU 936 CO -0.01 0.58 0.28 0.74 -0.00 0.00 0.00 178.44 180.02 2ayz h THR 937 N 0.23 1.23 -0.61 0.22 2.02 -0.92 0.11 112.91 115.19 2ayz h THR 937 Ca 0.08 -0.71 -0.06 0.00 0.77 0.00 0.00 66.41 66.49 2ayz h THR 937 Cb 0.35 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 2ayz h THR 937 CO 0.01 0.28 0.15 0.25 0.37 0.00 0.00 175.52 176.58 2ayz h LEU 938 N 0.92 0.89 -0.04 2.58 5.85 -1.15 -1.74 115.31 122.61 2ayz h LEU 938 Ca 0.22 -0.17 -0.24 0.00 0.84 0.00 0.00 57.88 58.53 2ayz h LEU 938 Cb 0.18 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 2ayz h LEU 938 CO -0.02 0.86 -1.08 1.88 -0.34 0.00 0.00 178.44 179.74 2ayz h TYR 939 N 0.91 0.42 -0.59 1.25 -1.99 -1.06 -1.91 116.97 114.00 2ayz h TYR 939 Ca 0.20 -0.27 -0.03 0.00 2.00 0.00 0.00 58.73 60.63 2ayz h TYR 939 Cb 0.32 -0.03 -0.03 0.00 2.00 0.00 0.00 36.73 38.99 2ayz h TYR 939 CO 0.02 1.16 0.27 0.00 -0.00 0.00 0.00 178.16 179.61 2ayz h ALA 940 N 0.74 0.77 0.00 3.88 0.00 -0.55 0.01 119.26 124.11 2ayz h ALA 940 Ca -0.09 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 2ayz h ALA 940 Cb 1.77 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 2ayz h ALA 940 CO 0.17 0.35 -0.33 1.05 0.00 0.00 0.00 179.25 180.49 2ayz h GLU 941 N 0.81 0.00 -0.11 0.00 4.11 -1.36 -0.78 114.58 117.25 2ayz h GLU 941 Ca 0.20 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.61 2ayz h GLU 941 Cb 0.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2ayz h GLU 941 CO -0.02 0.33 -0.02 0.00 0.07 0.00 0.00 179.01 179.37 2ayz h ARG 942 N 0.00 0.21 -0.01 1.06 3.08 -0.53 0.26 114.38 118.45 2ayz h ARG 942 Ca -0.00 -0.08 -0.15 0.00 0.07 0.00 0.00 59.98 59.82 2ayz h ARG 942 Cb 0.99 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.01 2ayz h ARG 942 CO 0.04 0.50 -0.67 -0.39 -1.07 0.00 0.00 179.97 178.38 2ayz h VAL 943 N -0.09 1.46 -0.24 2.04 -1.51 -0.99 -2.24 116.25 114.68 2ayz h VAL 943 Ca 0.03 -2.25 -0.02 0.00 -1.23 0.00 0.00 66.70 63.24 2ayz h VAL 943 Cb 0.42 2.20 -0.01 0.00 -2.13 0.00 0.00 31.29 31.77 2ayz h VAL 943 CO 0.01 0.65 0.08 -0.09 -1.23 0.00 0.00 177.57 176.98 2ayz h ARG 944 N 0.05 0.36 0.00 5.19 2.43 -1.01 -0.29 114.38 121.11 2ayz h ARG 944 Ca -0.01 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.02 2ayz h ARG 944 Cb 1.19 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 2ayz h ARG 944 CO 0.09 0.44 -0.29 1.57 -1.51 0.00 0.00 179.97 180.27 2ayz h LYS 945 N 0.21 0.00 0.00 0.20 5.09 -0.91 0.71 116.57 121.88 2ayz h LYS 945 Ca 0.08 0.00 -0.08 0.00 0.09 0.00 0.00 60.65 60.73 2ayz h LYS 945 Cb 0.23 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.55 2ayz h LYS 945 CO -0.00 0.29 -0.50 0.77 -2.09 0.00 0.00 179.45 177.92 2ayz h SER 946 N 0.00 0.00 0.02 7.07 0.02 -1.15 -3.37 113.55 116.14 2ayz h SER 946 Ca -0.00 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.60 2ayz h SER 946 Cb 0.84 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.33 2ayz h SER 946 CO 0.04 0.37 -1.96 -1.14 -1.14 0.00 0.00 176.83 173.00 2ayz n ARG 947 N -3.14 0.62 -2.56 3.45 3.00 -0.14 -4.70 116.66 113.19 2ayz n ARG 947 Ca 0.01 0.37 -0.42 0.00 -0.00 0.00 0.00 57.85 57.81 2ayz n ARG 947 Cb 0.69 -1.63 -0.01 0.00 0.00 0.00 0.00 32.46 31.51 2ayz n ARG 947 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2ayz s ASP 948 N -7.05 6.72 0.00 6.15 2.15 0.22 -5.09 116.67 119.76 2ayz s ASP 948 Ca -0.32 -2.26 0.00 0.00 0.43 0.00 0.00 52.55 50.40 2ayz s ASP 948 Cb 0.09 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 2ayz s ASP 948 CO 0.59 -1.29 0.31 -1.20 -0.17 0.00 0.00 175.17 173.41