#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 -0.21 -0.09 7.82 0.00 -1.26 -5.18 121.76 122.84 2ayz s ALA 818 Ca 0.00 -1.03 -0.08 0.00 0.00 0.00 0.00 51.96 50.85 2ayz s ALA 818 Cb 0.00 0.83 0.02 0.00 0.00 0.00 0.00 23.12 23.97 2ayz s ALA 818 CO 0.00 -0.92 0.23 0.54 0.00 0.00 0.00 175.76 175.61 2ayz s VAL 819 N -2.48 0.00 -0.05 0.00 0.11 -1.26 -5.15 120.40 111.58 2ayz s VAL 819 Ca 0.21 -0.02 -0.22 0.00 -2.93 0.00 0.00 61.98 59.02 2ayz s VAL 819 Cb -0.04 -0.34 0.04 0.00 -1.53 0.00 0.00 36.38 34.52 2ayz s VAL 819 CO 0.15 -0.01 0.48 -0.44 -3.33 0.00 0.00 175.10 171.95 2ayz s SER 820 N 0.08 -0.42 0.00 3.54 0.01 -1.26 -5.18 113.70 110.48 2ayz s SER 820 Ca -0.00 0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.70 2ayz s SER 820 Cb -0.02 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.70 2ayz s SER 820 CO 0.00 -0.48 0.00 -0.67 0.41 0.00 0.00 173.24 172.50 2ayz n ASP 821 N 1.29 0.00 -1.72 2.44 2.03 -1.26 -5.10 116.55 114.23 2ayz n ASP 821 Ca -0.20 -0.98 -0.01 0.00 0.52 0.00 0.00 54.79 54.12 2ayz n ASP 821 Cb 0.56 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 2ayz n ASP 821 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2ayz n ASN 822 N -0.48 -2.99 -3.01 1.67 2.85 -1.26 -4.98 115.26 107.05 2ayz n ASN 822 Ca 0.00 0.11 -0.32 0.00 -0.11 0.00 0.00 54.58 54.26 2ayz n ASN 822 Cb 0.00 -1.73 -0.00 0.00 1.24 0.00 0.00 39.78 39.28 2ayz n ASN 822 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2ayz n ASP 823 N -0.39 5.70 0.00 1.20 2.03 -1.26 -4.99 116.55 118.84 2ayz n ASP 823 Ca 0.02 -3.72 0.00 0.00 0.52 0.00 0.00 54.79 51.61 2ayz n ASP 823 Cb 0.07 -0.76 0.00 0.00 -0.72 0.00 0.00 41.12 39.70 2ayz n ASP 823 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2ayz n ASP 824 N -0.30 0.00 -3.91 1.67 2.03 -1.26 -4.84 116.55 109.94 2ayz n ASP 824 Ca 0.40 0.41 -0.16 0.00 0.52 0.00 0.00 54.79 55.96 2ayz n ASP 824 Cb 0.40 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.65 2ayz n ASP 824 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 2ayz s MET 825 N -0.81 0.40 -0.21 -0.67 1.75 -1.26 -5.06 119.30 113.43 2ayz s MET 825 Ca 0.00 -0.10 -0.15 0.00 -1.25 0.00 0.00 55.69 54.18 2ayz s MET 825 Cb 0.00 -0.43 -0.04 0.00 2.84 0.00 0.00 34.83 37.20 2ayz s MET 825 CO 0.00 0.03 0.37 -1.64 -0.65 0.00 0.00 175.02 173.13 2ayz s MET 826 N 0.25 4.14 -0.10 4.11 -1.94 -1.26 -2.08 119.30 122.41 2ayz s MET 826 Ca -0.02 0.14 0.01 0.00 -1.71 0.00 0.00 55.69 54.10 2ayz s MET 826 Cb -0.06 -3.55 -0.02 0.00 2.01 0.00 0.00 34.83 33.21 2ayz s MET 826 CO -0.00 -0.06 -0.13 0.42 -0.01 0.00 0.00 175.02 175.23 2ayz s ILE 827 N 1.40 3.09 -0.30 2.53 -1.09 0.08 -1.25 121.20 125.66 2ayz s ILE 827 Ca 0.17 -0.67 -0.07 0.00 -2.23 0.00 0.00 60.65 57.85 2ayz s ILE 827 Cb -0.15 -2.27 0.01 0.00 -1.58 0.00 0.00 42.46 38.47 2ayz s ILE 827 CO 0.08 0.55 0.10 -0.22 -1.23 0.00 0.00 174.94 174.21 2ayz s LEU 828 N -0.01 3.96 -0.51 2.97 2.96 -0.52 -1.22 118.68 126.30 2ayz s LEU 828 Ca -0.03 -0.75 -0.19 0.00 -0.22 0.00 0.00 54.13 52.93 2ayz s LEU 828 Cb -0.14 -1.90 0.06 0.00 0.50 0.00 0.00 46.19 44.71 2ayz s LEU 828 CO 0.04 -0.22 0.63 0.54 -1.32 0.00 0.00 176.35 176.02 2ayz s VAL 829 N 1.50 4.87 -0.88 1.68 0.11 -0.03 -1.05 120.40 126.59 2ayz s VAL 829 Ca 0.02 -0.50 -0.03 0.00 -2.93 0.00 0.00 61.98 58.54 2ayz s VAL 829 Cb -0.17 -4.31 0.22 0.00 -1.53 0.00 0.00 36.38 30.59 2ayz s VAL 829 CO 0.03 -0.82 0.77 0.68 -3.33 0.00 0.00 175.10 172.43 2ayz s VAL 830 N 2.64 4.51 -0.19 2.04 -7.23 -0.68 -1.63 120.40 119.86 2ayz s VAL 830 Ca 0.15 -3.65 -0.05 0.00 -1.81 0.00 0.00 61.98 56.62 2ayz s VAL 830 Cb -0.19 -3.80 -0.03 0.00 0.56 0.00 0.00 36.38 32.92 2ayz s VAL 830 CO 0.12 -1.07 -0.00 -0.62 -0.31 0.00 0.00 175.10 173.21 2ayz s ASP 831 N 0.21 4.84 0.37 4.85 -1.08 -0.60 -0.59 116.67 124.68 2ayz s ASP 831 Ca 0.26 -0.18 0.10 0.00 -0.52 0.00 0.00 52.55 52.21 2ayz s ASP 831 Cb -0.09 -1.82 0.87 0.00 -1.46 0.00 0.00 42.92 40.41 2ayz s ASP 831 CO -0.11 0.08 1.87 -0.78 0.52 0.00 0.00 175.17 176.76 2ayz h ASP 832 N 7.34 0.60 -3.48 -0.34 3.58 -1.74 -3.39 116.42 119.00 2ayz h ASP 832 Ca -0.35 0.04 -0.72 0.00 0.42 0.00 0.00 57.03 56.42 2ayz h ASP 832 Cb 1.18 -0.08 -0.22 0.00 1.72 0.00 0.00 39.33 41.93 2ayz h ASP 832 CO 0.62 0.30 -0.42 -1.00 -2.88 0.00 0.00 179.24 175.85 2ayz s HIS 833 N -5.63 3.24 0.55 0.28 3.76 -1.26 -4.95 115.29 111.29 2ayz s HIS 833 Ca -0.10 -0.70 0.29 0.00 -0.15 0.00 0.00 55.06 54.41 2ayz s HIS 833 Cb 0.22 -2.68 1.46 0.00 1.11 0.00 0.00 32.58 32.70 2ayz s HIS 833 CO 0.79 -0.63 1.92 -1.00 -0.85 0.00 0.00 174.74 174.97 2ayz h PRO 834 N 8.63 0.00 -0.23 8.40 0.13 -1.96 0.13 132.00 147.09 2ayz h PRO 834 Ca -0.27 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 2ayz h PRO 834 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2ayz h PRO 834 CO 0.75 0.00 0.05 -0.84 -0.23 0.00 0.00 178.00 177.73 2ayz h ILE 835 N 0.00 1.21 0.00 -3.56 -0.00 -1.94 0.08 117.51 113.31 2ayz h ILE 835 Ca 0.31 -0.70 -0.07 0.00 -0.00 0.00 0.00 64.86 64.40 2ayz h ILE 835 Cb 1.34 1.23 -0.01 0.00 -0.00 0.00 0.00 36.82 39.38 2ayz h ILE 835 CO -0.00 0.22 -0.63 -1.13 -0.00 0.00 0.00 178.15 176.61 2ayz h ASN 836 N 0.20 0.00 -0.13 2.16 -0.73 -1.62 -2.80 115.58 112.66 2ayz h ASN 836 Ca 0.07 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.24 2ayz h ASN 836 Cb 0.29 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 2ayz h ASN 836 CO 0.00 0.30 0.08 -0.09 -0.37 0.00 0.00 177.43 177.36 2ayz h ARG 837 N 0.00 0.18 0.00 6.67 2.43 -0.63 0.34 114.38 123.37 2ayz h ARG 837 Ca -0.03 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 2ayz h ARG 837 Cb 1.26 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 2ayz h ARG 837 CO 0.03 0.15 -0.40 0.07 -1.51 0.00 0.00 179.97 178.32 2ayz h ARG 838 N 0.15 0.00 0.11 0.20 -0.00 -1.00 -0.27 114.38 113.57 2ayz h ARG 838 Ca 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 60.02 2ayz h ARG 838 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.99 2ayz h ARG 838 CO -0.01 0.40 -0.05 -0.07 -0.00 0.00 0.00 179.97 180.24 2ayz h LEU 839 N 0.00 -0.13 -1.11 0.08 3.38 -1.17 -0.07 115.31 116.30 2ayz h LEU 839 Ca -0.00 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 2ayz h LEU 839 Cb 0.75 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 2ayz h LEU 839 CO 0.05 0.05 0.17 0.25 0.09 0.00 0.00 178.44 179.06 2ayz h LEU 840 N -0.30 0.74 -1.50 1.67 5.85 -0.74 -1.55 115.31 119.48 2ayz h LEU 840 Ca -0.02 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 2ayz h LEU 840 Cb 0.25 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 2ayz h LEU 840 CO 0.02 0.70 -0.26 0.00 -0.34 0.00 0.00 178.44 178.57 2ayz h ALA 841 N 1.40 1.40 -0.13 1.25 0.00 -0.89 -0.00 119.26 122.29 2ayz h ALA 841 Ca 0.18 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 2ayz h ALA 841 Cb 0.22 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.98 2ayz h ALA 841 CO -0.01 0.32 -0.64 0.22 0.00 0.00 0.00 179.25 179.14 2ayz h ASP 842 N 0.00 0.79 -0.71 0.00 3.58 -0.04 -0.07 116.42 119.98 2ayz h ASP 842 Ca -0.00 -0.63 -0.03 0.00 0.42 0.00 0.00 57.03 56.78 2ayz h ASP 842 Cb 0.51 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.29 2ayz h ASP 842 CO 0.03 1.30 0.33 1.56 -2.88 0.00 0.00 179.24 179.58 2ayz h GLN 843 N 0.34 1.05 -0.68 0.28 7.50 -1.05 -0.76 115.11 121.77 2ayz h GLN 843 Ca -0.04 -0.15 -0.02 0.00 0.50 0.00 0.00 58.65 58.94 2ayz h GLN 843 Cb 1.28 -0.19 -0.03 0.00 0.05 0.00 0.00 27.48 28.58 2ayz h GLN 843 CO 0.13 0.82 0.35 1.25 -1.50 0.00 0.00 178.83 179.88 2ayz h LEU 844 N 1.04 0.86 -1.46 1.46 7.12 -0.89 -1.47 115.31 121.95 2ayz h LEU 844 Ca 0.25 -0.08 -0.03 0.00 0.13 0.00 0.00 57.88 58.15 2ayz h LEU 844 Cb 0.13 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.03 2ayz h LEU 844 CO -0.03 0.71 0.05 1.23 -0.13 0.00 0.00 178.44 180.26 2ayz h GLY 845 N 1.02 0.42 2.00 3.75 0.00 0.35 -0.30 103.07 110.31 2ayz h GLY 845 Ca 0.24 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.27 2ayz h GLY 845 CO -0.04 0.20 -0.40 1.76 0.00 0.00 0.00 176.54 178.07 2ayz h SER 846 N 0.39 0.00 -0.15 0.19 0.02 -0.17 -2.78 113.55 111.05 2ayz h SER 846 Ca 0.09 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.95 2ayz h SER 846 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 2ayz h SER 846 CO -0.00 0.40 -0.28 0.25 -1.14 0.00 0.00 176.83 176.06 2ayz h LEU 847 N 0.00 0.50 0.00 5.07 6.46 -0.76 -3.48 115.31 123.11 2ayz h LEU 847 Ca -0.00 -0.55 0.00 0.00 -0.12 0.00 0.00 57.88 57.21 2ayz h LEU 847 Cb 0.71 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.50 2ayz h LEU 847 CO 0.05 0.96 0.00 0.61 -0.62 0.00 0.00 178.44 179.44 2ayz n GLY 848 N 0.40 1.00 3.98 3.75 0.00 -0.22 -5.09 105.19 109.01 2ayz n GLY 848 Ca -0.06 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 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 1.94 0.03 1.61 1.51 -1.24 -5.05 117.35 114.15 2ayz s TYR 849 Ca 0.00 -0.65 -0.30 0.00 -1.01 0.00 0.00 57.07 55.11 2ayz s TYR 849 Cb 0.00 -2.17 -0.07 0.00 -0.11 0.00 0.00 41.96 39.60 2ayz s TYR 849 CO 0.00 -0.70 1.59 -0.65 -1.11 0.00 0.00 175.55 174.69 2ayz s GLN 850 N -4.43 4.21 -0.29 -0.62 -1.52 -0.88 -4.84 119.66 111.29 2ayz s GLN 850 Ca 0.52 2.22 -0.04 0.00 -1.95 0.00 0.00 55.36 56.12 2ayz s GLN 850 Cb -0.05 -3.67 0.03 0.00 -0.22 0.00 0.00 33.01 29.09 2ayz s GLN 850 CO 0.32 -0.72 0.01 0.00 -0.25 0.00 0.00 175.29 174.66 2ayz s LYS 852 N 1.35 3.49 -0.14 0.00 3.01 -0.36 -5.00 119.74 122.10 2ayz s LYS 852 Ca -0.01 -0.61 -0.04 0.00 -1.01 0.00 0.00 55.97 54.30 2ayz s LYS 852 Cb -0.18 -2.84 -0.03 0.00 -1.01 0.00 0.00 37.83 33.77 2ayz s LYS 852 CO -0.01 0.12 0.01 0.95 0.51 0.00 0.00 175.35 176.94 2ayz s THR 853 N 0.64 4.37 0.09 2.17 -4.23 -1.26 -0.85 115.64 116.57 2ayz s THR 853 Ca -0.04 -0.20 -0.03 0.00 -1.18 0.00 0.00 61.69 60.24 2ayz s THR 853 Cb -0.15 -2.91 0.01 0.00 1.34 0.00 0.00 72.50 70.80 2ayz s THR 853 CO 0.03 0.53 0.17 0.00 -0.54 0.00 0.00 174.62 174.80 2ayz n ALA 854 N 2.99 -0.36 -2.85 3.99 0.00 -0.64 -4.99 120.51 118.66 2ayz n ALA 854 Ca -0.18 -0.31 -0.09 0.00 0.00 0.00 0.00 53.44 52.86 2ayz n ALA 854 Cb 0.53 0.25 0.01 0.00 0.00 0.00 0.00 19.45 20.23 2ayz n ALA 854 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2ayz n ASN 855 N -1.28 -2.68 0.00 0.00 6.94 -1.26 -1.55 115.26 115.43 2ayz n ASN 855 Ca -0.02 -3.00 0.00 0.00 -0.02 0.00 0.00 54.58 51.54 2ayz n ASN 855 Cb 0.14 1.38 0.00 0.00 -2.36 0.00 0.00 39.78 38.94 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 2.30 0.00 0.09 0.53 -0.08 -1.26 -4.62 116.55 113.51 2ayz n ASP 856 Ca 0.16 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.27 2ayz n ASP 856 Cb 0.58 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.89 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 0.33 1.91 0.27 0.00 -1.90 -1.26 103.07 102.42 2ayz h GLY 857 Ca 0.00 -0.85 -0.15 0.00 0.00 0.00 0.00 47.33 46.33 2ayz h GLY 857 CO 0.00 0.74 -0.68 -0.39 0.00 0.00 0.00 176.54 176.22 2ayz h VAL 858 N 0.08 1.45 0.00 4.60 -1.51 -1.95 -2.45 116.25 116.48 2ayz h VAL 858 Ca -0.20 -2.24 -0.08 0.00 -1.23 0.00 0.00 66.70 62.95 2ayz h VAL 858 Cb 2.01 2.20 -0.01 0.00 -2.13 0.00 0.00 31.29 33.36 2ayz h VAL 858 CO 0.19 0.65 -0.36 -0.78 -1.23 0.00 0.00 177.57 176.03 2ayz h ASP 859 N 0.06 0.00 -0.18 4.19 3.58 -1.88 -1.98 116.42 120.21 2ayz h ASP 859 Ca -0.01 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 2ayz h ASP 859 Cb 1.20 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.24 2ayz h ASP 859 CO 0.09 0.36 0.03 0.00 -2.88 0.00 0.00 179.24 176.85 2ayz h ALA 860 N 1.64 0.24 0.00 -0.78 0.00 -0.82 0.22 119.26 119.75 2ayz h ALA 860 Ca -0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 2ayz h ALA 860 Cb 1.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2ayz h ALA 860 CO 0.05 -0.09 -0.47 1.37 0.00 0.00 0.00 179.25 180.11 2ayz h LEU 861 N 0.09 0.00 0.42 0.00 8.10 -1.43 -0.01 115.31 122.48 2ayz h LEU 861 Ca 0.05 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.02 2ayz h LEU 861 Cb 0.31 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.54 2ayz h LEU 861 CO 0.00 0.47 -0.20 -1.13 -4.11 0.00 0.00 178.44 173.47 2ayz h ASN 862 N 0.00 -0.48 0.19 0.17 -1.24 -1.17 -0.25 115.58 112.80 2ayz h ASN 862 Ca -0.00 -0.09 -0.06 0.00 0.71 0.00 0.00 56.30 56.85 2ayz h ASN 862 Cb 1.04 0.12 -0.01 0.00 0.73 0.00 0.00 38.32 40.21 2ayz h ASN 862 CO 0.06 -0.17 -0.24 1.62 -1.29 0.00 0.00 177.43 177.41 2ayz h VAL 863 N -0.82 1.21 -0.13 2.57 3.04 -0.94 -1.81 116.25 119.36 2ayz h VAL 863 Ca -0.06 -0.97 -0.09 0.00 -1.01 0.00 0.00 66.70 64.58 2ayz h VAL 863 Cb 0.55 1.43 -0.01 0.00 -2.01 0.00 0.00 31.29 31.25 2ayz h VAL 863 CO 0.10 0.28 -0.30 0.25 -1.01 0.00 0.00 177.57 176.89 2ayz h LEU 864 N 0.10 0.26 -1.06 3.16 6.46 -0.91 0.12 115.31 123.44 2ayz h LEU 864 Ca 0.02 -0.09 -0.08 0.00 -0.12 0.00 0.00 57.88 57.61 2ayz h LEU 864 Cb 0.49 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.34 2ayz h LEU 864 CO 0.03 0.56 -0.22 0.28 -0.62 0.00 0.00 178.44 178.48 2ayz h SER 865 N 0.23 0.40 0.19 1.25 0.02 -0.16 -3.10 113.55 112.38 2ayz h SER 865 Ca 0.03 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 2ayz h SER 865 Cb 0.66 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.09 2ayz h SER 865 CO 0.05 0.63 -0.09 0.11 -1.14 0.00 0.00 176.83 176.38 2ayz h LYS 866 N 0.37 -0.25 -4.75 3.45 1.79 -1.18 -3.45 116.57 112.55 2ayz h LYS 866 Ca 0.06 0.02 -0.60 0.00 -2.18 0.00 0.00 60.65 57.95 2ayz h LYS 866 Cb 0.59 0.06 -0.35 0.00 -1.58 0.00 0.00 32.23 30.95 2ayz h LYS 866 CO 0.04 0.04 -0.84 1.21 -1.08 0.00 0.00 179.45 178.82 2ayz s ASN 867 N -5.36 2.56 -0.94 0.86 3.04 0.37 -5.06 114.94 110.41 2ayz s ASN 867 Ca -0.09 -0.46 -0.24 0.00 0.04 0.00 0.00 52.86 52.11 2ayz s ASN 867 Cb 0.00 -1.14 -0.03 0.00 -1.54 0.00 0.00 41.25 38.54 2ayz s ASN 867 CO 0.31 -0.00 1.87 -2.28 -3.04 0.00 0.00 177.10 173.95 2ayz s HIS 868 N 1.14 1.94 0.46 0.43 5.65 -1.18 -3.81 115.29 119.92 2ayz s HIS 868 Ca -0.03 0.37 -0.23 0.00 0.25 0.00 0.00 55.06 55.42 2ayz s HIS 868 Cb -0.14 -4.15 -0.07 0.00 -1.18 0.00 0.00 32.58 27.04 2ayz s HIS 868 CO -0.05 -1.74 1.21 0.42 -0.65 0.00 0.00 174.74 173.93 2ayz s ILE 869 N 9.31 2.89 -0.01 0.89 1.09 -1.26 -4.90 121.20 129.20 2ayz s ILE 869 Ca 0.66 0.69 -0.01 0.00 -1.10 0.00 0.00 60.65 60.90 2ayz s ILE 869 Cb -0.05 -3.36 -0.00 0.00 -1.06 0.00 0.00 42.46 37.98 2ayz s ILE 869 CO -0.01 0.01 -0.01 -0.78 -0.10 0.00 0.00 174.94 174.05 2ayz h ASP 870 N 2.10 0.00 -3.22 3.58 3.58 -1.54 -3.47 116.42 117.44 2ayz h ASP 870 Ca -0.50 0.00 -0.60 0.00 0.42 0.00 0.00 57.03 56.35 2ayz h ASP 870 Cb 1.25 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 42.19 2ayz h ASP 870 CO 0.60 0.07 -0.48 -0.63 -2.88 0.00 0.00 179.24 175.93 2ayz s ILE 871 N -1.11 5.41 -0.10 2.25 1.01 -1.00 -4.02 121.20 123.64 2ayz s ILE 871 Ca -0.01 0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.88 2ayz s ILE 871 Cb 0.00 -3.48 -0.01 0.00 0.01 0.00 0.00 42.46 38.99 2ayz s ILE 871 CO 0.02 0.45 -0.19 -0.69 0.00 0.00 0.00 174.94 174.53 2ayz s VAL 872 N 0.26 2.55 -0.39 2.92 1.01 -1.10 -1.44 120.40 124.21 2ayz s VAL 872 Ca 0.09 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.22 2ayz s VAL 872 Cb -0.11 -2.02 0.11 0.00 0.00 0.00 0.00 36.38 34.36 2ayz s VAL 872 CO -0.01 0.55 0.15 -0.76 0.00 0.00 0.00 175.10 175.02 2ayz s LEU 873 N 0.22 5.03 -0.64 3.92 1.43 -0.22 -0.84 118.68 127.57 2ayz s LEU 873 Ca -0.12 -2.14 -0.24 0.00 -1.03 0.00 0.00 54.13 50.60 2ayz s LEU 873 Cb -0.16 -1.74 0.05 0.00 0.03 0.00 0.00 46.19 44.37 2ayz s LEU 873 CO 0.06 -0.46 1.04 -0.94 0.23 0.00 0.00 176.35 176.29 2ayz s SER 874 N 1.34 6.23 -0.22 2.29 1.04 -0.81 -1.68 113.70 121.90 2ayz s SER 874 Ca 0.10 -0.62 -0.07 0.00 0.48 0.00 0.00 55.95 55.83 2ayz s SER 874 Cb -0.21 -2.46 -0.03 0.00 0.10 0.00 0.00 66.02 63.41 2ayz s SER 874 CO -0.06 -1.47 0.07 -0.62 0.98 0.00 0.00 173.24 172.14 2ayz s ASP 875 N 3.41 5.36 -0.12 7.02 -1.08 0.25 -0.63 116.67 130.87 2ayz s ASP 875 Ca 0.29 -0.08 0.01 0.00 -0.52 0.00 0.00 52.55 52.24 2ayz s ASP 875 Cb -0.13 -1.94 0.02 0.00 -1.46 0.00 0.00 42.92 39.41 2ayz s ASP 875 CO 0.15 0.06 -0.13 0.68 0.52 0.00 0.00 175.17 176.44 2ayz s VAL 876 N 1.07 1.43 -0.65 1.11 -7.23 -0.69 -2.50 120.40 112.94 2ayz s VAL 876 Ca 0.04 -0.57 0.24 0.00 -1.81 0.00 0.00 61.98 59.88 2ayz s VAL 876 Cb -0.14 -1.34 0.06 0.00 0.56 0.00 0.00 36.38 35.51 2ayz s VAL 876 CO 0.03 0.43 1.34 -3.20 -0.31 0.00 0.00 175.10 173.39 2ayz n ASN 877 N 4.54 0.70 -4.63 4.85 2.85 -1.26 -3.90 115.26 118.40 2ayz n ASN 877 Ca -0.17 0.13 -0.42 0.00 -0.11 0.00 0.00 54.58 54.00 2ayz n ASN 877 Cb 0.51 0.13 -0.04 0.00 1.24 0.00 0.00 39.78 41.62 2ayz n ASN 877 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 2ayz s MET 878 N -3.16 4.08 0.69 1.20 1.75 -1.26 -4.92 119.30 117.68 2ayz s MET 878 Ca 0.06 0.87 -0.11 0.00 -1.25 0.00 0.00 55.69 55.26 2ayz s MET 878 Cb 0.13 -3.69 0.00 0.00 2.84 0.00 0.00 34.83 34.11 2ayz s MET 878 CO 0.72 -0.66 1.08 -1.25 -0.65 0.00 0.00 175.02 174.25 2ayz s PRO 879 N 3.07 3.01 0.00 4.11 0.04 -1.26 -3.84 135.00 140.13 2ayz s PRO 879 Ca 0.37 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.96 2ayz s PRO 879 Cb -0.14 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2ayz s PRO 879 CO 0.11 -0.95 0.00 -1.71 0.04 0.00 0.00 177.00 174.49 2ayz n ASN 880 N -2.97 0.00 -4.08 6.66 5.15 -1.26 -4.57 115.26 114.19 2ayz n ASN 880 Ca 0.07 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.63 2ayz n ASN 880 Cb 0.56 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.81 2ayz n ASN 880 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 2ayz n MET 881 N 0.00 3.88 0.00 1.20 1.56 -1.26 -5.02 117.12 117.48 2ayz n MET 881 Ca 0.00 -4.53 0.00 0.00 -0.27 0.00 0.00 57.70 52.90 2ayz n MET 881 Cb 0.00 -2.50 0.00 0.00 2.15 0.00 0.00 33.22 32.87 2ayz n MET 881 CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 175.97 174.84 2ayz n ASP 882 N 1.80 0.00 -1.46 6.12 5.75 -1.25 -4.74 116.55 122.77 2ayz n ASP 882 Ca 0.25 0.00 0.10 0.00 -0.01 0.00 0.00 54.79 55.14 2ayz n ASP 882 Cb 0.36 0.00 0.34 0.00 -1.03 0.00 0.00 41.12 40.79 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 5.00 2.52 0.23 6.12 0.00 -1.26 -4.52 105.19 113.28 2ayz n GLY 883 Ca 0.00 -0.81 -0.08 0.00 0.00 0.00 0.00 46.02 45.13 2ayz n GLY 883 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2ayz h TYR 884 N 4.15 -0.68 -0.04 1.61 -0.00 -1.93 -3.03 116.97 117.04 2ayz h TYR 884 Ca 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 58.73 58.73 2ayz h TYR 884 Cb 1.20 0.27 -0.00 0.00 -0.00 0.00 0.00 36.73 38.20 2ayz h TYR 884 CO 0.63 -0.30 -0.01 -0.09 -0.00 0.00 0.00 178.16 178.38 2ayz h ARG 885 N -0.43 0.06 0.00 0.10 1.12 -1.89 0.75 114.38 114.08 2ayz h ARG 885 Ca -0.02 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.84 2ayz h ARG 885 Cb 0.39 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.34 2ayz h ARG 885 CO -0.06 0.08 0.00 1.37 -3.11 0.00 0.00 179.97 178.25 2ayz h LEU 886 N 0.06 0.00 -0.64 3.80 8.10 -1.85 0.14 115.31 124.91 2ayz h LEU 886 Ca 0.02 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.86 2ayz h LEU 886 Cb 0.07 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.28 2ayz h LEU 886 CO 0.00 0.00 -0.45 0.74 -4.11 0.00 0.00 178.44 174.62 2ayz h THR 887 N 0.00 1.31 -0.68 0.15 2.02 -0.72 -2.02 112.91 112.97 2ayz h THR 887 Ca 0.00 -1.65 -0.06 0.00 0.77 0.00 0.00 66.41 65.47 2ayz h THR 887 Cb 0.79 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.81 2ayz h THR 887 CO 0.00 0.52 0.19 -0.61 0.37 0.00 0.00 175.52 175.98 2ayz h GLN 888 N 0.43 1.06 -0.46 6.66 4.15 -0.85 -2.11 115.11 124.00 2ayz h GLN 888 Ca 0.03 -0.23 -0.07 0.00 0.77 0.00 0.00 58.65 59.14 2ayz h GLN 888 Cb 0.96 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.48 2ayz h GLN 888 CO 0.09 0.93 -0.00 -0.09 -1.93 0.00 0.00 178.83 177.82 2ayz h ARG 889 N 1.02 0.77 -0.38 1.69 1.12 -1.03 0.09 114.38 117.66 2ayz h ARG 889 Ca 0.22 -0.20 -0.07 0.00 -1.11 0.00 0.00 59.98 58.82 2ayz h ARG 889 Cb 0.33 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 30.18 2ayz h ARG 889 CO -0.00 0.78 -0.04 0.82 -3.11 0.00 0.00 179.97 178.42 2ayz h ILE 890 N 0.72 1.23 -0.41 1.20 5.03 -1.14 -0.47 117.51 123.66 2ayz h ILE 890 Ca 0.14 -0.94 -0.05 0.00 -0.12 0.00 0.00 64.86 63.89 2ayz h ILE 890 Cb 0.45 0.98 -0.02 0.00 -3.03 0.00 0.00 36.82 35.20 2ayz h ILE 890 CO 0.02 0.32 0.07 -0.09 -0.68 0.00 0.00 178.15 177.79 2ayz h ARG 891 N 0.58 0.68 -0.38 2.37 2.43 -0.63 -2.55 114.38 116.89 2ayz h ARG 891 Ca 0.12 -0.18 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 2ayz h ARG 891 Cb 0.43 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 2ayz h ARG 891 CO 0.02 0.72 -0.13 1.96 -1.51 0.00 0.00 179.97 181.03 2ayz h GLN 892 N 0.54 0.67 0.00 0.20 1.08 -0.60 -2.60 115.11 114.40 2ayz h GLN 892 Ca 0.13 -0.22 -0.04 0.00 -1.45 0.00 0.00 58.65 57.07 2ayz h GLN 892 Cb 0.36 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 2ayz h GLN 892 CO 0.01 0.77 -0.17 1.25 -0.95 0.00 0.00 178.83 179.74 2ayz h LEU 893 N 0.61 0.00 -0.20 1.46 5.85 -0.98 -3.47 115.31 118.58 2ayz h LEU 893 Ca 0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2ayz h LEU 893 Cb 0.57 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.60 2ayz h LEU 893 CO 0.04 0.17 0.00 0.61 -0.34 0.00 0.00 178.44 178.92 2ayz n GLY 894 N 0.14 0.32 3.70 3.75 0.00 -0.98 -5.05 105.19 107.08 2ayz n GLY 894 Ca 0.00 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.05 4.34 0.00 0.99 2.34 -1.03 -4.86 118.68 120.41 2ayz s LEU 895 Ca 0.00 1.67 0.09 0.00 0.06 0.00 0.00 54.13 55.95 2ayz s LEU 895 Cb 0.00 -3.57 0.19 0.00 -0.56 0.00 0.00 46.19 42.25 2ayz s LEU 895 CO 0.00 -0.33 1.06 0.35 -1.06 0.00 0.00 176.35 176.37 2ayz n THR 896 N 4.06 0.64 -4.17 5.48 -2.24 -1.26 -5.03 114.28 111.76 2ayz n THR 896 Ca 0.07 -0.82 -0.34 0.00 -2.27 0.00 0.00 64.05 60.69 2ayz n THR 896 Cb 0.50 0.75 -0.11 0.00 -2.10 0.00 0.00 70.33 69.37 2ayz n THR 896 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2ayz s LEU 897 N -0.92 3.60 -0.50 3.22 2.01 -1.26 -5.05 118.68 119.77 2ayz s LEU 897 Ca 0.16 0.01 -0.28 0.00 0.01 0.00 0.00 54.13 54.03 2ayz s LEU 897 Cb 0.09 -1.89 0.01 0.00 0.01 0.00 0.00 46.19 44.41 2ayz s LEU 897 CO 0.13 0.18 1.45 -2.84 1.01 0.00 0.00 176.35 176.28 2ayz s PRO 898 N 0.29 3.36 -0.24 1.29 0.02 -1.26 -4.86 135.00 133.61 2ayz s PRO 898 Ca 0.01 0.67 -0.09 0.00 0.02 0.00 0.00 61.00 61.61 2ayz s PRO 898 Cb -0.13 -4.11 -0.04 0.00 0.02 0.00 0.00 34.50 30.24 2ayz s PRO 898 CO 0.01 -1.85 0.12 0.08 -0.33 0.00 0.00 177.00 175.03 2ayz s VAL 899 N 6.04 4.92 -0.35 3.83 1.01 -1.10 -2.70 120.40 132.05 2ayz s VAL 899 Ca 0.57 0.03 -0.10 0.00 0.00 0.00 0.00 61.98 62.48 2ayz s VAL 899 Cb -0.12 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 32.98 2ayz s VAL 899 CO 0.28 0.35 0.18 -0.63 0.00 0.00 0.00 175.10 175.28 2ayz s ILE 900 N 1.19 4.55 -0.24 2.22 1.01 -0.02 -0.83 121.20 129.08 2ayz s ILE 900 Ca 0.06 -0.69 -0.18 0.00 0.00 0.00 0.00 60.65 59.84 2ayz s ILE 900 Cb -0.14 -3.45 -0.03 0.00 0.01 0.00 0.00 42.46 38.85 2ayz s ILE 900 CO 0.05 -0.11 0.53 -0.83 0.00 0.00 0.00 174.94 174.58 2ayz s GLY 901 N 1.57 1.92 -0.71 6.18 0.00 -0.63 -1.92 107.32 113.74 2ayz s GLY 901 Ca 0.03 -0.51 -0.15 0.00 0.00 0.00 0.00 44.72 44.09 2ayz s GLY 901 CO 0.06 1.20 0.68 0.14 0.00 0.00 0.00 173.10 175.18 2ayz s VAL 902 N 2.09 5.37 0.35 1.40 1.01 0.20 -0.56 120.40 130.26 2ayz s VAL 902 Ca 0.23 -1.96 0.03 0.00 0.00 0.00 0.00 61.98 60.28 2ayz s VAL 902 Cb -0.16 -4.44 -0.02 0.00 0.00 0.00 0.00 36.38 31.77 2ayz s VAL 902 CO 0.09 -1.00 0.52 0.42 0.00 0.00 0.00 175.10 175.14 2ayz s THR 903 N 1.00 4.47 -0.30 3.92 -4.23 -0.27 -1.70 115.64 118.53 2ayz s THR 903 Ca 0.12 -0.74 0.03 0.00 -1.18 0.00 0.00 61.69 59.92 2ayz s THR 903 Cb -0.18 -3.60 0.08 0.00 1.34 0.00 0.00 72.50 70.14 2ayz s THR 903 CO -0.03 -0.32 -0.01 0.00 -0.54 0.00 0.00 174.62 173.72 2ayz s ALA 904 N -2.28 2.57 -1.22 3.99 0.00 -1.25 -0.39 121.76 123.19 2ayz s ALA 904 Ca 0.43 -2.09 -0.35 0.00 0.00 0.00 0.00 51.96 49.95 2ayz s ALA 904 Cb -0.10 -1.76 0.05 0.00 0.00 0.00 0.00 23.12 21.31 2ayz s ALA 904 CO 0.34 -1.48 0.69 -1.71 0.00 0.00 0.00 175.76 173.59 2ayz n ASN 905 N 4.40 -4.16 -4.00 0.00 5.15 -1.26 -4.25 115.26 111.15 2ayz n ASN 905 Ca -0.04 -1.30 -0.32 0.00 -0.60 0.00 0.00 54.58 52.32 2ayz n ASN 905 Cb 0.42 -1.69 -0.13 0.00 -0.53 0.00 0.00 39.78 37.85 2ayz n ASN 905 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ayz s ALA 906 N -3.53 3.29 -0.14 5.20 0.00 -1.26 -4.52 121.76 120.80 2ayz s ALA 906 Ca 0.50 -3.12 -0.42 0.00 0.00 0.00 0.00 51.96 48.92 2ayz s ALA 906 Cb -0.27 -2.24 -0.19 0.00 0.00 0.00 0.00 23.12 20.42 2ayz s ALA 906 CO 0.97 -1.97 1.28 1.28 0.00 0.00 0.00 175.76 177.32 2ayz n LEU 907 N 3.43 0.64 -1.96 0.00 7.99 -1.26 -1.32 117.00 124.53 2ayz n LEU 907 Ca 0.05 1.16 -0.09 0.00 -0.01 0.00 0.00 56.01 57.12 2ayz n LEU 907 Cb 0.35 -0.95 0.04 0.00 -0.11 0.00 0.00 43.42 42.75 2ayz n LEU 907 CO 0.32 -1.44 0.08 0.00 -1.51 0.00 0.00 177.39 174.84 2ayz n ALA 908 N 2.52 -0.73 -0.27 -1.18 0.00 -1.26 -4.95 120.51 114.64 2ayz n ALA 908 Ca 0.23 0.07 -0.02 0.00 0.00 0.00 0.00 53.44 53.72 2ayz n ALA 908 Cb 0.06 -2.01 0.09 0.00 0.00 0.00 0.00 19.45 17.59 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 -1.00 0.90 0.00 0.00 5.08 -1.65 -1.30 114.58 116.61 2ayz h GLU 909 Ca -0.25 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 2ayz h GLU 909 Cb 1.15 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 2ayz h GLU 909 CO 0.23 0.60 -0.08 1.05 -1.00 0.00 0.00 179.01 179.81 2ayz h GLU 910 N 0.93 0.00 0.02 2.33 9.09 -1.92 -0.56 114.58 124.47 2ayz h GLU 910 Ca 0.31 0.00 -0.24 0.00 0.05 0.00 0.00 59.36 59.48 2ayz h GLU 910 Cb 0.04 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.14 2ayz h GLU 910 CO -0.12 0.08 -1.01 -0.22 0.05 0.00 0.00 179.01 177.79 2ayz h LYS 911 N 0.00 0.44 -0.14 1.06 3.64 -1.64 -2.45 116.57 117.47 2ayz h LYS 911 Ca -0.00 -0.50 -0.17 0.00 -1.27 0.00 0.00 60.65 58.71 2ayz h LYS 911 Cb 0.14 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2ayz h LYS 911 CO 0.01 1.16 -0.61 1.96 -2.27 0.00 0.00 179.45 179.70 2ayz h GLN 912 N 0.23 0.48 -0.93 1.90 7.50 -0.65 -1.47 115.11 122.16 2ayz h GLN 912 Ca -0.10 -0.33 0.02 0.00 0.50 0.00 0.00 58.65 58.74 2ayz h GLN 912 Cb 1.66 0.05 -0.05 0.00 0.05 0.00 0.00 27.48 29.19 2ayz h GLN 912 CO 0.18 0.94 0.61 -0.09 -1.50 0.00 0.00 178.83 178.97 2ayz h ARG 913 N 0.36 1.19 -0.28 1.46 2.43 -1.14 -1.22 114.38 117.19 2ayz h ARG 913 Ca -0.01 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 58.98 2ayz h ARG 913 Cb 1.16 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 2ayz h ARG 913 CO 0.11 0.79 -0.28 0.00 -1.51 0.00 0.00 179.97 179.08 2ayz h LEU 915 N 0.48 0.18 -0.28 0.00 4.07 -0.71 -3.23 115.31 115.83 2ayz h LEU 915 Ca 0.06 -0.52 -0.06 0.00 0.08 0.00 0.00 57.88 57.44 2ayz h LEU 915 Cb 0.73 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.41 2ayz h LEU 915 CO 0.06 0.66 -0.30 -0.33 -1.08 0.00 0.00 178.44 177.44 2ayz h GLU 916 N -0.31 0.00 -6.17 1.13 4.39 -1.27 -3.48 114.58 108.88 2ayz h GLU 916 Ca 0.01 0.00 -0.43 0.00 0.34 0.00 0.00 59.36 59.28 2ayz h GLU 916 Cb 0.62 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 29.32 2ayz h GLU 916 CO 0.02 0.30 -0.87 0.43 -1.16 0.00 0.00 179.01 177.73 2ayz n SER 917 N -3.22 -2.29 -0.92 1.42 7.64 -0.07 -3.35 113.62 112.82 2ayz n SER 917 Ca 0.02 -0.90 -0.00 0.00 1.01 0.00 0.00 58.87 59.00 2ayz n SER 917 Cb 0.61 -3.75 -0.01 0.00 -1.01 0.00 0.00 64.21 60.05 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 -1.67 0.75 0.00 0.23 0.00 -1.23 -4.64 105.19 98.63 2ayz n GLY 918 Ca -0.24 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 0.16 0.00 0.00 1.61 1.56 -1.26 -4.58 117.12 114.61 2ayz n MET 919 Ca -0.03 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.40 2ayz n MET 919 Cb 0.81 0.00 0.00 0.00 2.15 0.00 0.00 33.22 36.18 2ayz n MET 919 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2ayz n ASP 920 N 0.00 0.00 -3.97 6.12 2.03 -0.01 -2.71 116.55 118.02 2ayz n ASP 920 Ca 0.00 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 2ayz n ASP 920 Cb 0.00 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.29 2ayz n ASP 920 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2ayz s SER 921 N 0.00 0.22 -0.07 1.67 0.01 -1.08 -5.03 113.70 109.42 2ayz s SER 921 Ca 0.00 -0.47 0.03 0.00 1.31 0.00 0.00 55.95 56.82 2ayz s SER 921 Cb 0.00 0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.31 2ayz s SER 921 CO 0.00 -0.30 -0.14 0.00 0.41 0.00 0.00 173.24 173.21 2ayz n LEU 923 N 2.71 0.00 -4.29 0.00 4.77 0.28 -4.95 117.00 115.52 2ayz n LEU 923 Ca -0.17 -1.77 -0.17 0.00 -0.03 0.00 0.00 56.01 53.86 2ayz n LEU 923 Cb 0.52 0.92 -0.10 0.00 -2.33 0.00 0.00 43.42 42.43 2ayz n LEU 923 CO 0.27 -0.29 -0.44 -0.44 -1.33 0.00 0.00 177.39 175.16 2ayz s SER 924 N -2.31 2.22 0.30 -1.43 0.01 -1.26 -1.11 113.70 110.12 2ayz s SER 924 Ca 0.22 -0.95 0.05 0.00 1.31 0.00 0.00 55.95 56.57 2ayz s SER 924 Cb 0.01 -0.09 0.79 0.00 0.21 0.00 0.00 66.02 66.94 2ayz s SER 924 CO 0.15 -0.20 1.65 0.50 0.41 0.00 0.00 173.24 175.76 2ayz h LYS 925 N 2.91 0.24 -4.52 12.44 1.63 -0.95 -3.24 116.57 125.08 2ayz h LYS 925 Ca -0.38 -0.01 -0.55 0.00 -0.85 0.00 0.00 60.65 58.86 2ayz h LYS 925 Cb 1.21 -0.05 0.08 0.00 -0.60 0.00 0.00 32.23 32.86 2ayz h LYS 925 CO 0.59 0.16 1.88 -0.35 -3.45 0.00 0.00 179.45 178.28 2ayz n PRO 926 N -5.18 0.89 -2.74 1.90 -0.04 -1.26 -4.88 135.00 123.69 2ayz n PRO 926 Ca 0.24 -1.38 -0.22 0.00 -0.04 0.00 0.00 63.50 62.09 2ayz n PRO 926 Cb 0.74 -2.64 0.09 0.00 -0.04 0.00 0.00 33.50 31.65 2ayz n PRO 926 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ayz s VAL 927 N 5.56 2.21 0.18 0.52 1.01 -1.22 -5.14 120.40 123.52 2ayz s VAL 927 Ca 0.55 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.72 2ayz s VAL 927 Cb 0.13 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 2ayz s VAL 927 CO 0.18 0.00 0.27 0.42 0.00 0.00 0.00 175.10 175.97 2ayz s THR 928 N -2.95 0.04 0.19 3.92 -4.23 -1.26 -5.04 115.64 106.31 2ayz s THR 928 Ca 0.64 -1.57 -0.12 0.00 -1.18 0.00 0.00 61.69 59.46 2ayz s THR 928 Cb -0.06 -2.07 0.10 0.00 1.34 0.00 0.00 72.50 71.82 2ayz s THR 928 CO 0.42 -0.20 1.74 0.25 -0.54 0.00 0.00 174.62 176.29 2ayz h LEU 929 N 2.53 0.12 -0.18 4.79 7.12 -1.99 0.52 115.31 128.22 2ayz h LEU 929 Ca -0.32 0.07 -0.05 0.00 0.13 0.00 0.00 57.88 57.71 2ayz h LEU 929 Cb 1.23 0.07 -0.00 0.00 -0.53 0.00 0.00 40.66 41.43 2ayz h LEU 929 CO 0.48 0.09 -0.09 -0.78 -0.13 0.00 0.00 178.44 178.01 2ayz h ASP 930 N 0.31 0.39 -0.94 1.25 3.58 -1.99 -1.15 116.42 117.87 2ayz h ASP 930 Ca 0.25 -0.41 -0.00 0.00 0.42 0.00 0.00 57.03 57.29 2ayz h ASP 930 Cb 0.30 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 41.20 2ayz h ASP 930 CO -0.28 0.71 0.59 0.58 -2.88 0.00 0.00 179.24 177.96 2ayz h VAL 931 N 0.06 1.25 -0.24 2.25 2.07 -1.91 0.30 116.25 120.04 2ayz h VAL 931 Ca 0.04 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 2ayz h VAL 931 Cb 0.57 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 2ayz h VAL 931 CO 0.03 0.26 0.12 0.40 0.02 0.00 0.00 177.57 178.40 2ayz h ILE 932 N 1.29 1.13 -0.62 4.57 2.04 -0.71 -1.84 117.51 123.37 2ayz h ILE 932 Ca 0.34 -0.36 -0.09 0.00 1.00 0.00 0.00 64.86 65.76 2ayz h ILE 932 Cb -0.09 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2ayz h ILE 932 CO -0.07 0.13 0.05 0.50 0.00 0.00 0.00 178.15 178.75 2ayz h LYS 933 N 0.26 1.06 0.38 2.37 3.11 -0.72 0.39 116.57 123.43 2ayz h LYS 933 Ca 0.08 -0.31 -0.02 0.00 -2.81 0.00 0.00 60.65 57.59 2ayz h LYS 933 Cb 0.09 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.21 2ayz h LYS 933 CO -0.01 1.01 -0.20 1.96 -2.81 0.00 0.00 179.45 179.40 2ayz h GLN 934 N 0.97 -0.52 -0.47 1.90 4.20 -0.83 -0.22 115.11 120.13 2ayz h GLN 934 Ca 0.18 0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.87 2ayz h GLN 934 Cb 0.50 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 2ayz h GLN 934 CO 0.02 -0.35 0.05 1.15 -0.67 0.00 0.00 178.83 179.04 2ayz h THR 935 N -0.54 1.25 -0.51 -0.54 2.02 -1.26 -1.68 112.91 111.66 2ayz h THR 935 Ca -0.05 -0.96 -0.04 0.00 0.77 0.00 0.00 66.41 66.13 2ayz h THR 935 Cb 0.43 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 2ayz h THR 935 CO 0.07 0.34 0.15 -0.07 0.37 0.00 0.00 175.52 176.38 2ayz h LEU 936 N 0.65 0.76 -1.04 2.58 -0.00 -0.84 -1.08 115.31 116.33 2ayz h LEU 936 Ca 0.14 -0.21 -0.10 0.00 -0.00 0.00 0.00 57.88 57.71 2ayz h LEU 936 Cb 0.42 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 40.87 2ayz h LEU 936 CO 0.01 0.77 -0.39 0.74 -0.00 0.00 0.00 178.44 179.57 2ayz h THR 937 N 0.70 1.30 -0.47 0.22 2.02 -0.97 0.17 112.91 115.88 2ayz h THR 937 Ca 0.16 -1.45 -0.05 0.00 0.77 0.00 0.00 66.41 65.85 2ayz h THR 937 Cb 0.29 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 2ayz h THR 937 CO -0.00 0.43 0.10 0.25 0.37 0.00 0.00 175.52 176.66 2ayz h LEU 938 N 0.14 0.73 -0.42 2.58 5.85 -0.82 -2.17 115.31 121.20 2ayz h LEU 938 Ca 0.01 -0.25 -0.16 0.00 0.84 0.00 0.00 57.88 58.33 2ayz h LEU 938 Cb 0.76 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2ayz h LEU 938 CO 0.06 0.79 -0.41 1.88 -0.34 0.00 0.00 178.44 180.41 2ayz h TYR 939 N 0.64 1.05 -0.93 1.25 -1.99 -0.87 -2.43 116.97 113.69 2ayz h TYR 939 Ca 0.15 -0.32 0.00 0.00 2.00 0.00 0.00 58.73 60.55 2ayz h TYR 939 Cb 0.36 -0.22 -0.05 0.00 2.00 0.00 0.00 36.73 38.82 2ayz h TYR 939 CO 0.02 1.13 0.59 0.00 -0.00 0.00 0.00 178.16 179.90 2ayz h ALA 940 N 0.81 1.18 -0.21 3.88 0.00 -0.87 -1.54 119.26 122.51 2ayz h ALA 940 Ca 0.05 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 2ayz h ALA 940 Cb 1.00 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2ayz h ALA 940 CO 0.10 0.61 -0.45 1.05 0.00 0.00 0.00 179.25 180.55 2ayz h GLU 941 N 1.26 0.53 -0.12 0.00 4.11 -1.34 -2.22 114.58 116.81 2ayz h GLU 941 Ca 0.34 -0.29 -0.00 0.00 0.07 0.00 0.00 59.36 59.47 2ayz h GLU 941 Cb -0.10 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2ayz h GLU 941 CO -0.07 0.88 0.07 0.00 0.07 0.00 0.00 179.01 179.96 2ayz h ARG 942 N 0.43 0.16 -0.03 1.06 3.08 -0.83 -0.83 114.38 117.42 2ayz h ARG 942 Ca 0.03 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 2ayz h ARG 942 Cb 0.96 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.96 2ayz h ARG 942 CO 0.09 0.16 -0.64 -0.39 -1.07 0.00 0.00 179.97 178.12 2ayz h VAL 943 N 0.12 1.43 -0.00 2.04 -1.51 -1.33 -1.10 116.25 115.91 2ayz h VAL 943 Ca 0.04 -2.12 -0.00 0.00 -1.23 0.00 0.00 66.70 63.39 2ayz h VAL 943 Cb 0.04 2.12 -0.00 0.00 -2.13 0.00 0.00 31.29 31.32 2ayz h VAL 943 CO -0.01 0.61 0.00 -0.09 -1.23 0.00 0.00 177.57 176.86 2ayz h ARG 944 N 0.07 0.00 0.00 5.19 9.65 -1.08 -0.97 114.38 127.24 2ayz h ARG 944 Ca -0.01 -0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.72 2ayz h ARG 944 Cb 1.14 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.70 2ayz h ARG 944 CO 0.09 0.22 -0.73 1.57 2.80 0.00 0.00 179.97 183.92 2ayz h LYS 945 N -0.22 0.00 -0.04 0.20 2.10 -1.13 -0.26 116.57 117.22 2ayz h LYS 945 Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 2ayz h LYS 945 Cb 0.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 2ayz h LYS 945 CO 0.00 0.73 -0.16 0.77 -2.00 0.00 0.00 179.45 178.79 2ayz h SER 946 N 0.00 0.22 1.89 7.07 0.02 -1.17 -3.25 113.55 118.33 2ayz h SER 946 Ca -0.01 -0.64 -0.02 0.00 -0.84 0.00 0.00 61.79 60.29 2ayz h SER 946 Cb 1.34 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.81 2ayz h SER 946 CO 0.10 0.82 -0.08 -0.09 -1.14 0.00 0.00 176.83 176.44 2ayz h ARG 947 N -0.37 0.00 0.00 3.45 2.43 -1.24 -3.47 114.38 115.17 2ayz h ARG 947 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2ayz h ARG 947 Cb 0.81 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 2ayz h ARG 947 CO 0.03 0.08 0.00 -3.47 -1.51 0.00 0.00 179.97 175.10 2ayz n ASP 948 N -3.12 0.00 0.00 -3.80 2.03 -0.11 -5.08 116.55 106.47 2ayz n ASP 948 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 2ayz n ASP 948 Cb 0.55 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 2ayz n ASP 948 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08