#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ayz n ALA 818 N 0.00 -0.20 -1.74 0.58 0.00 -1.26 -5.11 120.51 112.79 2ayz n ALA 818 Ca 0.00 -0.89 -0.42 0.00 0.00 0.00 0.00 53.44 52.13 2ayz n ALA 818 Cb 0.00 0.72 -0.03 0.00 0.00 0.00 0.00 19.45 20.14 2ayz n ALA 818 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ayz s VAL 819 N -2.64 3.04 0.00 0.00 1.01 -1.26 -4.93 120.40 115.62 2ayz s VAL 819 Ca 0.16 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2ayz s VAL 819 Cb -0.01 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.28 2ayz s VAL 819 CO 0.11 -0.01 0.00 -1.20 0.00 0.00 0.00 175.10 174.00 2ayz n SER 820 N 7.16 0.00 -4.68 3.32 7.64 -1.26 -5.06 113.62 120.73 2ayz n SER 820 Ca 0.19 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.72 2ayz n SER 820 Cb 0.41 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.52 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 -1.00 5.41 -0.13 6.43 2.15 -1.26 -5.08 116.67 123.18 2ayz s ASP 821 Ca 0.00 0.15 -0.06 0.00 0.43 0.00 0.00 52.55 53.07 2ayz s ASP 821 Cb 0.00 -1.65 0.06 0.00 -0.30 0.00 0.00 42.92 41.02 2ayz s ASP 821 CO 0.00 0.33 0.29 0.54 -0.17 0.00 0.00 175.17 176.17 2ayz s ASN 822 N -0.60 -0.18 -0.46 -0.34 2.20 -1.26 -5.10 114.94 109.20 2ayz s ASN 822 Ca 0.10 0.64 0.03 0.00 -0.94 0.00 0.00 52.86 52.69 2ayz s ASN 822 Cb -0.12 0.60 0.14 0.00 -2.00 0.00 0.00 41.25 39.87 2ayz s ASN 822 CO 0.02 -0.19 0.27 -0.62 -2.94 0.00 0.00 177.10 173.64 2ayz s ASP 823 N 1.62 3.60 -1.50 3.54 -1.08 -1.26 -5.00 116.67 116.59 2ayz s ASP 823 Ca -0.07 -2.77 -0.11 0.00 -0.52 0.00 0.00 52.55 49.09 2ayz s ASP 823 Cb -0.10 -1.05 0.00 0.00 -1.46 0.00 0.00 42.92 40.30 2ayz s ASP 823 CO -0.10 -0.24 2.54 -0.67 0.52 0.00 0.00 175.17 177.22 2ayz n ASP 824 N 3.36 6.57 -4.67 -0.34 -0.08 -1.26 -4.83 116.55 115.29 2ayz n ASP 824 Ca 0.11 -2.78 -0.43 0.00 -1.51 0.00 0.00 54.79 50.18 2ayz n ASP 824 Cb 0.35 -1.57 -0.02 0.00 2.34 0.00 0.00 41.12 42.22 2ayz n ASP 824 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 2ayz s MET 825 N 2.03 4.26 -0.29 -0.67 -1.94 -1.26 -4.77 119.30 116.66 2ayz s MET 825 Ca 0.57 1.75 -0.23 0.00 -1.71 0.00 0.00 55.69 56.07 2ayz s MET 825 Cb 0.16 -3.71 -0.00 0.00 2.01 0.00 0.00 34.83 33.28 2ayz s MET 825 CO -0.07 -0.64 0.75 -1.64 -0.01 0.00 0.00 175.02 173.41 2ayz s MET 826 N 3.10 4.01 -0.11 2.03 1.00 -1.26 -0.87 119.30 127.19 2ayz s MET 826 Ca 0.58 0.59 0.03 0.00 0.00 0.00 0.00 55.69 56.89 2ayz s MET 826 Cb -0.25 -3.71 -0.00 0.00 0.00 0.00 0.00 34.83 30.88 2ayz s MET 826 CO 0.19 -0.60 -0.21 0.42 0.00 0.00 0.00 175.02 174.82 2ayz s ILE 827 N 2.83 2.31 -0.32 2.53 -1.09 0.32 -0.56 121.20 127.21 2ayz s ILE 827 Ca 0.31 -0.93 -0.17 0.00 -2.23 0.00 0.00 60.65 57.63 2ayz s ILE 827 Cb -0.15 -1.91 -0.01 0.00 -1.58 0.00 0.00 42.46 38.81 2ayz s ILE 827 CO 0.11 0.55 0.45 -0.22 -1.23 0.00 0.00 174.94 174.60 2ayz s LEU 828 N 0.38 4.28 -0.73 2.97 0.20 -0.08 -1.44 118.68 124.27 2ayz s LEU 828 Ca -0.16 0.04 -0.17 0.00 0.69 0.00 0.00 54.13 54.52 2ayz s LEU 828 Cb -0.17 -2.50 0.14 0.00 -0.43 0.00 0.00 46.19 43.23 2ayz s LEU 828 CO 0.07 -0.37 0.80 0.68 -0.29 0.00 0.00 176.35 177.25 2ayz s VAL 829 N 2.23 5.03 -0.91 1.68 -7.23 -0.02 -0.98 120.40 120.21 2ayz s VAL 829 Ca 0.16 -1.54 -0.06 0.00 -1.81 0.00 0.00 61.98 58.73 2ayz s VAL 829 Cb -0.16 -4.54 0.23 0.00 0.56 0.00 0.00 36.38 32.47 2ayz s VAL 829 CO 0.12 -1.17 0.82 -0.69 -0.31 0.00 0.00 175.10 173.87 2ayz s VAL 830 N 1.95 4.90 0.17 1.32 1.01 -0.37 -2.10 120.40 127.29 2ayz s VAL 830 Ca 0.17 -3.42 0.09 0.00 0.00 0.00 0.00 61.98 58.82 2ayz s VAL 830 Cb -0.17 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 2ayz s VAL 830 CO -0.01 -1.08 -0.10 -0.62 0.00 0.00 0.00 175.10 173.29 2ayz s ASP 831 N 0.71 4.24 0.17 3.32 -1.08 -0.76 -0.32 116.67 122.94 2ayz s ASP 831 Ca 0.25 -0.56 0.23 0.00 -0.52 0.00 0.00 52.55 51.95 2ayz s ASP 831 Cb -0.10 -0.72 -0.02 0.00 -1.46 0.00 0.00 42.92 40.61 2ayz s ASP 831 CO -0.09 0.12 0.99 -0.90 0.52 0.00 0.00 175.17 175.80 2ayz n ASP 832 N 0.16 0.74 -4.26 -0.34 5.68 -0.86 -4.13 116.55 113.54 2ayz n ASP 832 Ca -0.11 0.26 -0.40 0.00 -0.50 0.00 0.00 54.79 54.04 2ayz n ASP 832 Cb 0.55 0.62 -0.10 0.00 -1.14 0.00 0.00 41.12 41.05 2ayz n ASP 832 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 2ayz s HIS 833 N -3.37 3.34 0.35 2.11 3.76 -1.26 -4.98 115.29 115.24 2ayz s HIS 833 Ca -0.01 -1.56 0.18 0.00 -0.15 0.00 0.00 55.06 53.51 2ayz s HIS 833 Cb 0.10 -2.88 1.21 0.00 1.11 0.00 0.00 32.58 32.12 2ayz s HIS 833 CO 0.80 -0.84 1.62 -1.00 -0.85 0.00 0.00 174.74 174.48 2ayz h PRO 834 N 8.36 0.16 -0.74 8.40 0.13 -2.00 0.72 132.00 147.04 2ayz h PRO 834 Ca -0.22 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.86 2ayz h PRO 834 Cb 1.08 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.14 2ayz h PRO 834 CO 0.73 0.11 0.32 0.97 -0.23 0.00 0.00 178.00 179.89 2ayz h ILE 835 N 0.16 1.25 -0.02 -3.56 2.10 -2.00 -2.39 117.51 113.05 2ayz h ILE 835 Ca 0.79 -0.75 -0.17 0.00 1.08 0.00 0.00 64.86 65.81 2ayz h ILE 835 Cb 1.95 0.36 -0.01 0.00 -1.09 0.00 0.00 36.82 38.03 2ayz h ILE 835 CO -0.69 0.31 -0.75 -1.13 -1.08 0.00 0.00 178.15 174.80 2ayz h ASN 836 N 1.05 0.21 -0.70 2.19 -1.24 -0.00 -2.66 115.58 114.44 2ayz h ASN 836 Ca 0.25 -0.15 0.06 0.00 0.71 0.00 0.00 56.30 57.17 2ayz h ASN 836 Cb 0.18 -0.06 -0.06 0.00 0.73 0.00 0.00 38.32 39.11 2ayz h ASN 836 CO -0.02 0.89 0.39 -0.09 -1.29 0.00 0.00 177.43 177.31 2ayz h ARG 837 N 0.11 0.69 -0.01 6.67 2.43 -1.03 0.18 114.38 123.42 2ayz h ARG 837 Ca -0.02 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2ayz h ARG 837 Cb 1.33 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 2ayz h ARG 837 CO 0.11 0.46 -0.07 -0.09 -1.51 0.00 0.00 179.97 178.87 2ayz h ARG 838 N 0.71 -0.12 -0.02 0.20 1.12 -1.11 -0.93 114.38 114.23 2ayz h ARG 838 Ca 0.32 0.01 -0.18 0.00 -1.11 0.00 0.00 59.98 59.02 2ayz h ARG 838 Cb 0.21 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.19 2ayz h ARG 838 CO -0.19 -0.08 -0.78 1.25 -3.11 0.00 0.00 179.97 177.05 2ayz h LEU 839 N -0.12 0.27 -0.12 3.80 6.46 -1.14 -0.23 115.31 124.23 2ayz h LEU 839 Ca 0.03 -0.19 -0.16 0.00 -0.12 0.00 0.00 57.88 57.44 2ayz h LEU 839 Cb 0.17 -0.08 0.01 0.00 -0.73 0.00 0.00 40.66 40.02 2ayz h LEU 839 CO -0.08 0.95 -0.55 0.25 -0.62 0.00 0.00 178.44 178.38 2ayz h LEU 840 N 0.14 0.69 -1.30 2.25 5.85 -0.61 -1.24 115.31 121.08 2ayz h LEU 840 Ca -0.03 -0.63 -0.05 0.00 0.84 0.00 0.00 57.88 58.01 2ayz h LEU 840 Cb 1.37 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 2ayz h LEU 840 CO 0.12 1.21 -0.22 0.00 -0.34 0.00 0.00 178.44 179.21 2ayz h ALA 841 N 0.50 1.09 -0.02 1.25 0.00 -1.14 -0.88 119.26 120.06 2ayz h ALA 841 Ca -0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2ayz h ALA 841 Cb 1.19 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2ayz h ALA 841 CO 0.11 0.28 0.00 0.22 0.00 0.00 0.00 179.25 179.86 2ayz h ASP 842 N 0.00 0.03 -0.68 0.00 1.82 -0.78 -0.16 116.42 116.64 2ayz h ASP 842 Ca -0.00 -0.30 -0.01 0.00 -0.39 0.00 0.00 57.03 56.33 2ayz h ASP 842 Cb 0.66 -0.01 -0.03 0.00 0.68 0.00 0.00 39.33 40.63 2ayz h ASP 842 CO 0.03 0.32 0.40 1.56 -1.61 0.00 0.00 179.24 179.94 2ayz h GLN 843 N -0.27 0.94 -0.74 0.28 7.50 -0.98 -0.91 115.11 120.92 2ayz h GLN 843 Ca 0.00 -0.09 0.01 0.00 0.50 0.00 0.00 58.65 59.08 2ayz h GLN 843 Cb 0.31 -0.20 -0.04 0.00 0.05 0.00 0.00 27.48 27.60 2ayz h GLN 843 CO 0.00 0.67 0.49 1.25 -1.50 0.00 0.00 178.83 179.73 2ayz h LEU 844 N 0.95 0.83 -1.21 1.46 7.12 -0.98 -1.88 115.31 121.60 2ayz h LEU 844 Ca 0.25 -0.02 -0.08 0.00 0.13 0.00 0.00 57.88 58.16 2ayz h LEU 844 Cb -0.02 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 39.90 2ayz h LEU 844 CO -0.04 0.60 -0.35 1.23 -0.13 0.00 0.00 178.44 179.74 2ayz h GLY 845 N 0.98 0.09 1.02 3.75 0.00 -0.07 -2.46 103.07 106.38 2ayz h GLY 845 Ca 0.28 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 2ayz h GLY 845 CO -0.07 0.07 0.43 1.76 0.00 0.00 0.00 176.54 178.73 2ayz h SER 846 N 0.07 1.04 -0.57 0.19 0.02 -0.39 -2.03 113.55 111.88 2ayz h SER 846 Ca 0.01 -0.11 -0.11 0.00 -0.84 0.00 0.00 61.79 60.74 2ayz h SER 846 Cb 0.65 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 2ayz h SER 846 CO 0.05 0.85 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.46 2ayz h LEU 847 N 1.15 1.05 -0.06 5.07 3.38 -1.24 -3.48 115.31 121.17 2ayz h LEU 847 Ca 0.29 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2ayz h LEU 847 Cb 0.06 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.52 2ayz h LEU 847 CO -0.04 1.12 0.00 0.61 0.09 0.00 0.00 178.44 180.22 2ayz n GLY 848 N -0.35 1.12 2.45 0.83 0.00 -0.76 -5.12 105.19 103.36 2ayz n GLY 848 Ca 0.02 -0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 2ayz n GLY 848 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2ayz n TYR 849 N -0.33 -0.34 -2.80 1.61 4.01 -1.21 -4.93 117.16 113.16 2ayz n TYR 849 Ca 0.00 -1.56 -0.43 0.00 -0.16 0.00 0.00 57.90 55.75 2ayz n TYR 849 Cb 0.04 -0.27 -0.04 0.00 -0.31 0.00 0.00 39.34 38.76 2ayz n TYR 849 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 2ayz s GLN 850 N -3.38 3.47 -0.32 -0.72 2.00 -0.05 -4.73 119.66 115.93 2ayz s GLN 850 Ca 0.13 0.03 -0.21 0.00 -2.00 0.00 0.00 55.36 53.32 2ayz s GLN 850 Cb -0.01 -3.98 -0.00 0.00 0.80 0.00 0.00 33.01 29.82 2ayz s GLN 850 CO 0.09 -1.35 0.66 0.00 -0.50 0.00 0.00 175.29 174.18 2ayz s LYS 852 N 2.71 3.31 -0.08 0.00 3.01 -0.52 -4.99 119.74 123.18 2ayz s LYS 852 Ca 0.26 -0.62 -0.11 0.00 -1.01 0.00 0.00 55.97 54.50 2ayz s LYS 852 Cb -0.15 -2.69 -0.05 0.00 -1.01 0.00 0.00 37.83 33.94 2ayz s LYS 852 CO 0.13 0.32 0.26 0.99 0.51 0.00 0.00 175.35 177.56 2ayz s THR 853 N 0.10 5.30 0.20 2.17 2.01 -1.26 -0.84 115.64 123.32 2ayz s THR 853 Ca -0.04 0.48 -0.21 0.00 0.31 0.00 0.00 61.69 62.24 2ayz s THR 853 Cb -0.14 -3.54 0.04 0.00 0.01 0.00 0.00 72.50 68.87 2ayz s THR 853 CO 0.04 0.58 0.61 0.00 -0.69 0.00 0.00 174.62 175.15 2ayz s ALA 854 N -0.88 -1.31 -0.45 7.40 0.00 -0.89 -4.95 121.76 120.69 2ayz s ALA 854 Ca 0.18 0.08 0.07 0.00 0.00 0.00 0.00 51.96 52.29 2ayz s ALA 854 Cb -0.14 0.86 0.23 0.00 0.00 0.00 0.00 23.12 24.07 2ayz s ALA 854 CO 0.07 -0.85 0.66 0.27 0.00 0.00 0.00 175.76 175.92 2ayz n ASN 855 N -0.39 -1.49 0.00 0.00 6.94 -1.26 -1.83 115.26 117.23 2ayz n ASN 855 Ca -0.12 -2.92 0.00 0.00 -0.02 0.00 0.00 54.58 51.53 2ayz n ASN 855 Cb 0.63 0.59 0.00 0.00 -2.36 0.00 0.00 39.78 38.64 2ayz n ASN 855 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 2ayz n ASP 856 N 1.84 0.00 -0.19 0.53 5.68 -1.26 -4.83 116.55 118.32 2ayz n ASP 856 Ca 0.17 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.38 2ayz n ASP 856 Cb 0.57 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.56 2ayz n ASP 856 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2ayz h GLY 857 N 0.00 0.87 1.90 6.12 0.00 -1.96 -2.55 103.07 107.45 2ayz h GLY 857 Ca 0.00 -0.47 -0.16 0.00 0.00 0.00 0.00 47.33 46.70 2ayz h GLY 857 CO 0.00 0.44 -0.71 -0.39 0.00 0.00 0.00 176.54 175.88 2ayz h VAL 858 N 0.73 1.47 -0.93 4.60 -1.51 -1.96 -2.84 116.25 115.82 2ayz h VAL 858 Ca 0.18 -2.35 0.02 0.00 -1.23 0.00 0.00 66.70 63.32 2ayz h VAL 858 Cb 0.20 2.26 -0.05 0.00 -2.13 0.00 0.00 31.29 31.57 2ayz h VAL 858 CO -0.01 0.68 0.61 -0.78 -1.23 0.00 0.00 177.57 176.84 2ayz h ASP 859 N 0.06 1.04 0.05 4.19 3.58 -1.87 -0.25 116.42 123.22 2ayz h ASP 859 Ca -0.01 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2ayz h ASP 859 Cb 1.26 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 42.05 2ayz h ASP 859 CO 0.10 0.74 -0.06 0.00 -2.88 0.00 0.00 179.24 177.14 2ayz h ALA 860 N 1.43 -0.10 -0.10 -0.78 0.00 -1.21 0.00 119.26 118.51 2ayz h ALA 860 Ca 0.35 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.08 2ayz h ALA 860 Cb -0.08 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2ayz h ALA 860 CO -0.09 -0.57 -0.67 1.37 0.00 0.00 0.00 179.25 179.30 2ayz h LEU 861 N -0.12 0.49 -0.14 0.00 8.10 -1.49 -1.49 115.31 120.65 2ayz h LEU 861 Ca 0.01 -0.30 -0.01 0.00 0.11 0.00 0.00 57.88 57.69 2ayz h LEU 861 Cb 0.13 -0.14 -0.01 0.00 -0.44 0.00 0.00 40.66 40.20 2ayz h LEU 861 CO -0.02 1.02 0.04 -1.13 -4.11 0.00 0.00 178.44 174.23 2ayz h ASN 862 N 0.30 0.21 0.45 0.17 -0.73 -0.87 -1.68 115.58 113.42 2ayz h ASN 862 Ca -0.02 -0.22 -0.12 0.00 1.87 0.00 0.00 56.30 57.82 2ayz h ASN 862 Cb 1.22 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 39.75 2ayz h ASN 862 CO 0.12 0.37 -0.54 1.62 -0.37 0.00 0.00 177.43 178.63 2ayz h VAL 863 N 0.03 1.38 -0.34 2.57 3.04 -1.02 -2.86 116.25 119.05 2ayz h VAL 863 Ca 0.04 -1.84 -0.09 0.00 -1.01 0.00 0.00 66.70 63.81 2ayz h VAL 863 Cb 0.24 1.95 -0.02 0.00 -2.01 0.00 0.00 31.29 31.46 2ayz h VAL 863 CO -0.00 0.53 -0.16 0.25 -1.01 0.00 0.00 177.57 177.19 2ayz h LEU 864 N 0.07 0.61 -0.22 3.16 7.12 -1.00 0.13 115.31 125.18 2ayz h LEU 864 Ca -0.00 -0.18 -0.21 0.00 0.13 0.00 0.00 57.88 57.61 2ayz h LEU 864 Cb 0.97 -0.16 0.01 0.00 -0.53 0.00 0.00 40.66 40.95 2ayz h LEU 864 CO 0.08 0.78 -0.74 0.77 -0.13 0.00 0.00 178.44 179.20 2ayz h SER 865 N 0.56 0.88 -0.02 1.25 4.64 -1.22 -3.23 113.55 116.41 2ayz h SER 865 Ca 0.09 -0.56 -0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2ayz h SER 865 Cb 0.59 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2ayz h SER 865 CO 0.04 1.35 -0.00 0.50 -0.87 0.00 0.00 176.83 177.85 2ayz h LYS 866 N 0.52 0.03 -4.19 4.77 1.63 -1.30 -3.43 116.57 114.61 2ayz h LYS 866 Ca -0.04 -0.01 -0.45 0.00 -0.85 0.00 0.00 60.65 59.30 2ayz h LYS 866 Cb 1.35 -0.00 -0.34 0.00 -0.60 0.00 0.00 32.23 32.64 2ayz h LYS 866 CO 0.15 0.38 -0.79 1.21 -3.45 0.00 0.00 179.45 176.96 2ayz s ASN 867 N -5.60 1.35 0.20 4.20 2.47 0.44 -5.11 114.94 112.88 2ayz s ASN 867 Ca -0.15 -0.19 -0.27 0.00 0.42 0.00 0.00 52.86 52.66 2ayz s ASN 867 Cb 0.03 -0.60 -0.08 0.00 -1.45 0.00 0.00 41.25 39.15 2ayz s ASN 867 CO 0.68 -0.04 0.85 -1.00 -3.72 0.00 0.00 177.10 173.87 2ayz s HIS 868 N 0.96 3.94 0.16 0.43 3.76 -1.22 -3.82 115.29 119.50 2ayz s HIS 868 Ca -0.10 1.76 0.08 0.00 -0.15 0.00 0.00 55.06 56.66 2ayz s HIS 868 Cb -0.15 -2.87 -0.04 0.00 1.11 0.00 0.00 32.58 30.63 2ayz s HIS 868 CO 0.00 0.48 -0.18 0.42 -0.85 0.00 0.00 174.74 174.61 2ayz s ILE 869 N -1.13 1.80 -0.12 0.60 1.01 -1.26 -4.97 121.20 117.13 2ayz s ILE 869 Ca 0.38 -1.90 -0.18 0.00 0.00 0.00 0.00 60.65 58.95 2ayz s ILE 869 Cb -0.24 -1.83 -0.16 0.00 0.01 0.00 0.00 42.46 40.24 2ayz s ILE 869 CO 0.29 -0.31 0.51 0.44 0.00 0.00 0.00 174.94 175.87 2ayz h ASP 870 N 3.28 -0.01 -3.99 3.58 3.32 -1.20 -3.47 116.42 117.92 2ayz h ASP 870 Ca -0.42 -0.60 -0.42 0.00 0.02 0.00 0.00 57.03 55.61 2ayz h ASP 870 Cb 1.21 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.46 2ayz h ASP 870 CO 0.51 0.78 -0.79 -0.63 -1.72 0.00 0.00 179.24 177.39 2ayz s ILE 871 N -2.09 0.79 -0.07 0.35 -1.09 -0.70 -4.43 121.20 113.97 2ayz s ILE 871 Ca -0.12 -0.41 0.04 0.00 -2.23 0.00 0.00 60.65 57.93 2ayz s ILE 871 Cb -0.02 -0.68 -0.02 0.00 -1.58 0.00 0.00 42.46 40.17 2ayz s ILE 871 CO 0.43 0.23 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.49 2ayz s VAL 872 N -0.10 2.58 -0.25 2.92 1.01 -1.10 -0.90 120.40 124.56 2ayz s VAL 872 Ca 0.02 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.14 2ayz s VAL 872 Cb -0.05 -2.00 0.07 0.00 0.00 0.00 0.00 36.38 34.39 2ayz s VAL 872 CO -0.00 0.56 -0.04 -0.76 0.00 0.00 0.00 175.10 174.86 2ayz s LEU 873 N -0.18 2.83 -0.63 3.92 1.43 -0.15 -0.59 118.68 125.30 2ayz s LEU 873 Ca -0.02 -1.31 -0.21 0.00 -1.03 0.00 0.00 54.13 51.56 2ayz s LEU 873 Cb -0.13 -1.24 0.09 0.00 0.03 0.00 0.00 46.19 44.94 2ayz s LEU 873 CO 0.03 -0.25 0.84 -0.94 0.23 0.00 0.00 176.35 176.26 2ayz s SER 874 N 1.33 6.19 -0.53 2.29 1.04 -0.66 -1.23 113.70 122.13 2ayz s SER 874 Ca -0.04 -1.24 -0.22 0.00 0.48 0.00 0.00 55.95 54.94 2ayz s SER 874 Cb -0.19 -2.36 0.05 0.00 0.10 0.00 0.00 66.02 63.62 2ayz s SER 874 CO -0.07 -1.27 0.79 -0.62 0.98 0.00 0.00 173.24 173.05 2ayz s ASP 875 N 3.65 6.28 -0.12 7.02 2.15 0.56 -1.02 116.67 135.20 2ayz s ASP 875 Ca 0.17 -0.62 -0.00 0.00 0.43 0.00 0.00 52.55 52.53 2ayz s ASP 875 Cb -0.20 -2.37 0.03 0.00 -0.30 0.00 0.00 42.92 40.08 2ayz s ASP 875 CO 0.08 -1.07 -0.08 0.68 -0.17 0.00 0.00 175.17 174.61 2ayz s VAL 876 N 3.33 1.08 -0.37 1.11 -7.23 0.38 -2.03 120.40 116.67 2ayz s VAL 876 Ca 0.23 -0.35 0.11 0.00 -1.81 0.00 0.00 61.98 60.16 2ayz s VAL 876 Cb -0.16 -1.11 -0.14 0.00 0.56 0.00 0.00 36.38 35.54 2ayz s VAL 876 CO 0.16 0.35 0.40 -0.46 -0.31 0.00 0.00 175.10 175.24 2ayz n ASN 877 N 4.92 1.09 -4.62 4.85 6.94 -1.26 -0.94 115.26 126.24 2ayz n ASN 877 Ca -0.13 -0.53 -0.43 0.00 -0.02 0.00 0.00 54.58 53.48 2ayz n ASN 877 Cb 0.50 1.16 -0.03 0.00 -2.36 0.00 0.00 39.78 39.05 2ayz n ASN 877 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 2ayz s MET 878 N -2.28 3.63 -1.33 -3.83 1.75 -1.26 -4.84 119.30 111.13 2ayz s MET 878 Ca 0.02 1.55 -0.16 0.00 -1.25 0.00 0.00 55.69 55.84 2ayz s MET 878 Cb 0.08 -4.09 0.07 0.00 2.84 0.00 0.00 34.83 33.73 2ayz s MET 878 CO 0.46 -1.50 1.85 -0.35 -0.65 0.00 0.00 175.02 174.84 2ayz n PRO 879 N 7.95 3.13 -2.26 4.11 -0.04 -1.26 -4.96 135.00 141.68 2ayz n PRO 879 Ca 0.20 -3.15 -0.24 0.00 -0.04 0.00 0.00 63.50 60.27 2ayz n PRO 879 Cb 0.46 -3.39 0.14 0.00 -0.04 0.00 0.00 33.50 30.67 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 7.46 0.88 -0.07 3.54 5.15 -1.26 -4.96 115.26 126.00 2ayz n ASN 880 Ca 0.49 -1.88 0.12 0.00 -0.60 0.00 0.00 54.58 52.71 2ayz n ASN 880 Cb 0.44 -0.74 0.67 0.00 -0.53 0.00 0.00 39.78 39.61 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 -3.10 1.10 0.00 1.20 1.56 -1.26 -4.74 117.12 111.88 2ayz n MET 881 Ca 0.16 -0.14 0.00 0.00 -0.27 0.00 0.00 57.70 57.45 2ayz n MET 881 Cb 0.56 -1.38 0.00 0.00 2.15 0.00 0.00 33.22 34.56 2ayz n MET 881 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2ayz n ASP 882 N -0.71 0.00 0.00 6.12 -0.08 -1.26 -4.96 116.55 115.65 2ayz n ASP 882 Ca 0.18 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.46 2ayz n ASP 882 Cb 0.12 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.58 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 5.00 0.88 1.70 0.27 0.00 -1.26 -4.90 105.19 106.88 2ayz n GLY 883 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.68 -1.11 0.24 1.61 4.11 -1.26 -4.79 117.16 114.28 2ayz n TYR 884 Ca 0.00 0.20 0.15 0.00 -0.00 0.00 0.00 57.90 58.25 2ayz n TYR 884 Cb 0.00 0.39 0.83 0.00 -0.00 0.00 0.00 39.34 40.56 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 0.00 0.00 -0.30 -3.48 1.12 -1.92 0.02 114.38 109.82 2ayz h ARG 885 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 59.98 58.79 2ayz h ARG 885 Cb 0.12 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.07 2ayz h ARG 885 CO 0.00 0.00 -0.15 1.37 -3.11 0.00 0.00 179.97 178.08 2ayz h LEU 886 N 0.00 0.51 -0.03 3.80 8.10 -1.94 -0.32 115.31 125.43 2ayz h LEU 886 Ca 0.05 -0.14 -0.15 0.00 0.11 0.00 0.00 57.88 57.75 2ayz h LEU 886 Cb 0.24 -0.14 -0.02 0.00 -0.44 0.00 0.00 40.66 40.31 2ayz h LEU 886 CO -0.00 0.69 -0.70 0.74 -4.11 0.00 0.00 178.44 175.06 2ayz h THR 887 N 0.48 1.22 -0.62 0.15 2.02 -1.33 -2.75 112.91 112.07 2ayz h THR 887 Ca 0.08 -2.70 -0.01 0.00 0.77 0.00 0.00 66.41 64.56 2ayz h THR 887 Cb 0.54 2.59 -0.03 0.00 -1.74 0.00 0.00 68.15 69.51 2ayz h THR 887 CO 0.03 0.69 0.37 -0.61 0.37 0.00 0.00 175.52 176.37 2ayz h GLN 888 N 0.00 0.85 -0.89 6.66 4.15 -0.91 0.97 115.11 125.95 2ayz h GLN 888 Ca -0.01 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.33 2ayz h GLN 888 Cb 1.53 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 29.00 2ayz h GLN 888 CO 0.09 0.62 0.57 -0.09 -1.93 0.00 0.00 178.83 178.09 2ayz h ARG 889 N 0.85 1.19 -0.20 1.69 9.65 -1.21 0.11 114.38 126.45 2ayz h ARG 889 Ca 0.22 -0.09 0.04 0.00 -1.10 0.00 0.00 59.98 59.05 2ayz h ARG 889 Cb -0.00 -0.26 -0.03 0.00 -1.39 0.00 0.00 29.97 28.28 2ayz h ARG 889 CO -0.04 0.80 -0.01 0.82 2.80 0.00 0.00 179.97 184.34 2ayz h ILE 890 N 1.21 0.84 -0.75 1.20 2.04 -1.00 -0.75 117.51 120.30 2ayz h ILE 890 Ca 0.32 -0.02 -0.05 0.00 1.00 0.00 0.00 64.86 66.12 2ayz h ILE 890 Cb -0.10 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 2ayz h ILE 890 CO -0.07 0.01 0.29 -0.09 0.00 0.00 0.00 178.15 178.29 2ayz h ARG 891 N 0.05 1.13 -0.45 2.37 2.43 -0.44 -2.18 114.38 117.28 2ayz h ARG 891 Ca 0.10 -0.21 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 2ayz h ARG 891 Cb 0.13 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 2ayz h ARG 891 CO -0.18 0.93 0.17 0.37 -1.51 0.00 0.00 179.97 179.75 2ayz h GLN 892 N 1.09 0.65 0.00 0.20 5.75 -0.64 -1.45 115.11 120.71 2ayz h GLN 892 Ca 0.25 -0.09 -0.07 0.00 -0.15 0.00 0.00 58.65 58.59 2ayz h GLN 892 Cb 0.23 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 2ayz h GLN 892 CO -0.02 0.55 -0.31 1.25 -2.65 0.00 0.00 178.83 177.65 2ayz h LEU 893 N 0.64 0.00 -2.72 -2.39 5.85 -0.54 -3.48 115.31 112.68 2ayz h LEU 893 Ca 0.16 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.76 2ayz h LEU 893 Cb 0.15 0.00 0.09 0.00 0.37 0.00 0.00 40.66 41.27 2ayz h LEU 893 CO -0.01 0.31 -0.39 0.61 -0.34 0.00 0.00 178.44 178.62 2ayz n GLY 894 N -0.02 -0.21 3.84 3.75 0.00 -0.55 -5.02 105.19 106.99 2ayz n GLY 894 Ca -0.01 0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 2ayz n GLY 894 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ayz s LEU 895 N -4.09 4.30 -1.06 0.99 0.20 -1.24 -5.01 118.68 112.77 2ayz s LEU 895 Ca 0.21 1.11 -0.03 0.00 0.69 0.00 0.00 54.13 56.11 2ayz s LEU 895 Cb -0.03 -3.41 0.31 0.00 -0.43 0.00 0.00 46.19 42.63 2ayz s LEU 895 CO 0.38 0.05 1.52 0.35 -0.29 0.00 0.00 176.35 178.36 2ayz n THR 896 N 0.59 5.41 -3.58 3.68 -2.24 -1.26 -4.94 114.28 111.94 2ayz n THR 896 Ca -0.04 -5.94 -0.13 0.00 -2.27 0.00 0.00 64.05 55.67 2ayz n THR 896 Cb 0.52 -1.99 -0.06 0.00 -2.10 0.00 0.00 70.33 66.70 2ayz n THR 896 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2ayz s LEU 897 N -3.04 -0.53 0.07 3.22 0.20 -1.26 -5.04 118.68 112.30 2ayz s LEU 897 Ca 0.32 0.76 -0.28 0.00 0.69 0.00 0.00 54.13 55.62 2ayz s LEU 897 Cb 0.07 2.16 -0.05 0.00 -0.43 0.00 0.00 46.19 47.94 2ayz s LEU 897 CO 0.07 -0.36 0.89 -2.16 -0.29 0.00 0.00 176.35 174.49 2ayz s PRO 898 N -0.61 4.61 -0.28 0.98 0.04 -1.26 -5.01 135.00 133.47 2ayz s PRO 898 Ca -0.03 1.30 -0.05 0.00 0.04 0.00 0.00 61.00 62.26 2ayz s PRO 898 Cb -0.02 -3.38 0.02 0.00 0.04 0.00 0.00 34.50 31.15 2ayz s PRO 898 CO 0.02 0.21 0.04 0.08 0.04 0.00 0.00 177.00 177.39 2ayz s VAL 899 N 0.10 3.61 -0.46 -0.36 1.01 -1.06 -2.73 120.40 120.52 2ayz s VAL 899 Ca 0.44 -0.81 -0.16 0.00 0.00 0.00 0.00 61.98 61.45 2ayz s VAL 899 Cb -0.22 -2.86 0.05 0.00 0.00 0.00 0.00 36.38 33.35 2ayz s VAL 899 CO 0.27 0.11 0.42 -0.63 0.00 0.00 0.00 175.10 175.27 2ayz s ILE 900 N 1.44 5.16 -0.61 2.22 1.01 0.24 -2.36 121.20 128.30 2ayz s ILE 900 Ca 0.02 -0.78 -0.25 0.00 0.00 0.00 0.00 60.65 59.63 2ayz s ILE 900 Cb -0.17 -4.10 0.04 0.00 0.01 0.00 0.00 42.46 38.24 2ayz s ILE 900 CO 0.00 -0.54 1.07 -0.83 0.00 0.00 0.00 174.94 174.64 2ayz s GLY 901 N 2.31 1.24 -0.89 6.18 0.00 -0.03 -1.66 107.32 114.47 2ayz s GLY 901 Ca 0.07 -1.26 -0.24 0.00 0.00 0.00 0.00 44.72 43.29 2ayz s GLY 901 CO 0.09 2.27 1.33 0.14 0.00 0.00 0.00 173.10 176.93 2ayz s VAL 902 N 4.54 3.95 0.12 1.40 1.01 -0.19 -0.70 120.40 130.53 2ayz s VAL 902 Ca 0.33 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.94 2ayz s VAL 902 Cb -0.11 -4.96 -0.04 0.00 0.00 0.00 0.00 36.38 31.27 2ayz s VAL 902 CO 0.18 -1.84 0.19 0.42 0.00 0.00 0.00 175.10 174.06 2ayz s THR 903 N 4.98 5.01 -0.27 3.92 -4.23 -0.02 -0.47 115.64 124.56 2ayz s THR 903 Ca 0.39 -0.71 -0.03 0.00 -1.18 0.00 0.00 61.69 60.17 2ayz s THR 903 Cb -0.04 -3.51 0.09 0.00 1.34 0.00 0.00 72.50 70.37 2ayz s THR 903 CO 0.00 0.01 0.09 0.00 -0.54 0.00 0.00 174.62 174.18 2ayz s ALA 904 N -1.62 1.04 -0.73 3.99 0.00 -0.12 -1.03 121.76 123.30 2ayz s ALA 904 Ca 0.33 -1.16 -0.08 0.00 0.00 0.00 0.00 51.96 51.05 2ayz s ALA 904 Cb -0.12 -1.40 0.01 0.00 0.00 0.00 0.00 23.12 21.62 2ayz s ALA 904 CO 0.26 -1.51 0.63 -1.71 0.00 0.00 0.00 175.76 173.43 2ayz n ASN 905 N 5.05 -5.60 -1.76 0.00 4.05 -1.26 -4.51 115.26 111.23 2ayz n ASN 905 Ca -0.05 -0.60 -0.13 0.00 0.45 0.00 0.00 54.58 54.24 2ayz n ASN 905 Cb 0.44 -2.44 0.21 0.00 1.23 0.00 0.00 39.78 39.21 2ayz n ASN 905 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2ayz n ALA 906 N -1.93 4.91 0.00 5.20 0.00 -1.26 -4.72 120.51 122.70 2ayz n ALA 906 Ca -0.21 -2.89 0.00 0.00 0.00 0.00 0.00 53.44 50.34 2ayz n ALA 906 Cb 0.65 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.99 0.00 -3.21 0.00 4.77 -1.26 -4.07 117.00 112.25 2ayz n LEU 907 Ca 0.46 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 56.21 2ayz n LEU 907 Cb 1.38 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 42.41 2ayz n LEU 907 CO 0.42 0.00 -0.24 0.00 -1.33 0.00 0.00 177.39 176.24 2ayz n ALA 908 N 0.00 2.58 0.00 -1.18 0.00 -1.26 -4.97 120.51 115.68 2ayz n ALA 908 Ca 0.00 -3.58 -0.11 0.00 0.00 0.00 0.00 53.44 49.76 2ayz n ALA 908 Cb 0.00 -0.84 -0.05 0.00 0.00 0.00 0.00 19.45 18.56 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 3.80 0.05 0.00 0.00 3.07 -1.96 -1.62 114.58 117.92 2ayz h GLU 909 Ca 0.09 -0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.91 2ayz h GLU 909 Cb 0.86 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.76 2ayz h GLU 909 CO 0.52 0.03 -0.19 0.93 -1.40 0.00 0.00 179.01 178.90 2ayz h GLU 910 N 0.05 0.00 -0.09 2.33 3.07 -1.96 0.64 114.58 118.63 2ayz h GLU 910 Ca 0.04 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.72 2ayz h GLU 910 Cb 0.04 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.94 2ayz h GLU 910 CO -0.06 0.19 -0.71 -0.22 -1.40 0.00 0.00 179.01 176.81 2ayz h LYS 911 N 0.00 0.43 -0.06 2.33 3.64 -1.81 -2.60 116.57 118.50 2ayz h LYS 911 Ca -0.00 -0.34 -0.22 0.00 -1.27 0.00 0.00 60.65 58.82 2ayz h LYS 911 Cb 0.43 0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2ayz h LYS 911 CO 0.02 0.97 -0.85 1.96 -2.27 0.00 0.00 179.45 179.29 2ayz h GLN 912 N 0.30 0.56 -0.98 1.90 4.20 -0.35 -2.02 115.11 118.71 2ayz h GLN 912 Ca -0.03 -0.51 0.15 0.00 0.06 0.00 0.00 58.65 58.32 2ayz h GLN 912 Cb 1.28 0.13 -0.10 0.00 0.30 0.00 0.00 27.48 29.09 2ayz h GLN 912 CO 0.12 1.14 0.60 -0.09 -0.67 0.00 0.00 178.83 179.93 2ayz h ARG 913 N 0.35 0.82 0.00 1.46 1.12 -0.82 0.30 114.38 117.61 2ayz h ARG 913 Ca -0.07 -0.05 -0.17 0.00 -1.11 0.00 0.00 59.98 58.59 2ayz h ARG 913 Cb 1.47 -0.19 -0.02 0.00 -0.01 0.00 0.00 29.97 31.22 2ayz h ARG 913 CO 0.16 0.54 -0.80 0.00 -3.11 0.00 0.00 179.97 176.76 2ayz h LEU 915 N 0.00 -0.12 0.11 0.00 4.07 0.21 -3.29 115.31 116.28 2ayz h LEU 915 Ca -0.01 -0.40 -0.29 0.00 0.08 0.00 0.00 57.88 57.26 2ayz h LEU 915 Cb 1.47 0.03 0.02 0.00 1.08 0.00 0.00 40.66 43.27 2ayz h LEU 915 CO 0.10 0.37 -1.25 1.05 -1.08 0.00 0.00 178.44 177.63 2ayz h GLU 916 N -0.66 0.51 -6.16 1.13 -0.00 -0.88 -3.48 114.58 105.05 2ayz h GLU 916 Ca -0.01 -0.73 -0.43 0.00 -0.00 0.00 0.00 59.36 58.18 2ayz h GLU 916 Cb 0.51 0.25 0.04 0.00 -0.00 0.00 0.00 28.75 29.55 2ayz h GLU 916 CO 0.02 1.33 -0.85 0.43 -0.00 0.00 0.00 179.01 179.94 2ayz n SER 917 N -3.72 -1.23 0.00 3.06 7.64 -0.15 -4.15 113.62 115.07 2ayz n SER 917 Ca -0.12 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 58.89 2ayz n SER 917 Cb 1.00 -3.85 0.00 0.00 -1.01 0.00 0.00 64.21 60.35 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 -1.65 0.56 0.00 0.23 0.00 -1.26 -4.78 105.19 98.29 2ayz n GLY 918 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.27 0.00 0.00 1.61 2.81 -1.26 -4.53 117.12 115.48 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 0.05 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.56 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 -4.84 7.83 2.03 -1.15 -2.58 116.55 117.84 2ayz n ASP 920 Ca 0.00 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.06 2ayz n ASP 920 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 2ayz n ASP 920 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2ayz s SER 921 N 0.00 5.72 -0.12 1.67 1.04 -0.99 -5.03 113.70 115.99 2ayz s SER 921 Ca 0.00 -0.09 -0.09 0.00 0.48 0.00 0.00 55.95 56.25 2ayz s SER 921 Cb 0.00 -1.55 0.04 0.00 0.10 0.00 0.00 66.02 64.61 2ayz s SER 921 CO 0.00 0.03 0.30 0.00 0.98 0.00 0.00 173.24 174.55 2ayz n LEU 923 N 3.58 0.00 -4.64 0.00 4.77 0.12 -4.91 117.00 115.92 2ayz n LEU 923 Ca -0.19 -1.74 -0.34 0.00 -0.03 0.00 0.00 56.01 53.71 2ayz n LEU 923 Cb 0.56 0.66 -0.10 0.00 -2.33 0.00 0.00 43.42 42.20 2ayz n LEU 923 CO 0.14 -0.27 -0.34 -0.44 -1.33 0.00 0.00 177.39 175.15 2ayz s SER 924 N -2.37 4.95 0.24 -1.43 0.01 -1.26 -0.85 113.70 112.99 2ayz s SER 924 Ca 0.14 0.06 -0.09 0.00 1.31 0.00 0.00 55.95 57.37 2ayz s SER 924 Cb 0.01 -1.32 0.38 0.00 0.21 0.00 0.00 66.02 65.29 2ayz s SER 924 CO 0.10 0.37 1.63 0.50 0.41 0.00 0.00 173.24 176.25 2ayz h LYS 925 N 5.16 0.07 -4.45 12.44 3.64 -1.29 -3.06 116.57 129.07 2ayz h LYS 925 Ca -0.50 -0.00 -0.64 0.00 -1.27 0.00 0.00 60.65 58.24 2ayz h LYS 925 Cb 1.18 -0.02 0.05 0.00 -0.41 0.00 0.00 32.23 33.04 2ayz h LYS 925 CO 0.53 0.04 2.27 -0.35 -2.27 0.00 0.00 179.45 179.68 2ayz n PRO 926 N -5.38 1.45 -2.33 1.90 -0.04 -1.26 -4.91 135.00 124.44 2ayz n PRO 926 Ca 0.12 -1.78 -0.25 0.00 -0.04 0.00 0.00 63.50 61.55 2ayz n PRO 926 Cb 0.43 -2.87 0.06 0.00 -0.04 0.00 0.00 33.50 31.07 2ayz n PRO 926 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2ayz s VAL 927 N 5.02 2.44 0.35 0.52 -7.23 -1.16 -5.12 120.40 115.21 2ayz s VAL 927 Ca 0.57 -0.36 0.03 0.00 -1.81 0.00 0.00 61.98 60.41 2ayz s VAL 927 Cb 0.14 -3.02 -0.05 0.00 0.56 0.00 0.00 36.38 34.01 2ayz s VAL 927 CO 0.12 -0.02 0.09 0.42 -0.31 0.00 0.00 175.10 175.40 2ayz s THR 928 N -3.11 0.90 0.13 5.32 -4.23 -1.26 -5.01 115.64 108.38 2ayz s THR 928 Ca 0.59 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.92 2ayz s THR 928 Cb -0.11 -2.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.08 2ayz s THR 928 CO 0.43 0.00 1.74 0.25 -0.54 0.00 0.00 174.62 176.50 2ayz h LEU 929 N 2.03 0.36 -0.43 4.79 7.12 -1.98 0.30 115.31 127.50 2ayz h LEU 929 Ca -0.39 -0.07 -0.17 0.00 0.13 0.00 0.00 57.88 57.38 2ayz h LEU 929 Cb 1.26 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 41.27 2ayz h LEU 929 CO 0.64 0.33 -0.79 0.44 -0.13 0.00 0.00 178.44 178.93 2ayz h ASP 930 N 0.36 0.04 -0.29 1.25 3.32 -1.97 -0.30 116.42 118.83 2ayz h ASP 930 Ca 0.10 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 2ayz h ASP 930 Cb 0.04 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2ayz h ASP 930 CO -0.02 0.81 -0.04 0.58 -1.72 0.00 0.00 179.24 178.84 2ayz h VAL 931 N 0.02 1.27 0.00 -1.35 2.07 -1.90 -0.60 116.25 115.76 2ayz h VAL 931 Ca -0.01 -1.04 -0.05 0.00 0.82 0.00 0.00 66.70 66.42 2ayz h VAL 931 Cb 1.38 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 2ayz h VAL 931 CO 0.10 0.33 -0.22 -0.29 0.02 0.00 0.00 177.57 177.51 2ayz h ILE 932 N 0.31 0.60 -0.05 4.57 2.10 -0.88 -2.40 117.51 121.77 2ayz h ILE 932 Ca 0.08 -1.04 -0.03 0.00 1.08 0.00 0.00 64.86 64.94 2ayz h ILE 932 Cb 0.51 1.69 0.00 0.00 -1.09 0.00 0.00 36.82 37.93 2ayz h ILE 932 CO 0.02 0.22 -0.11 0.50 -1.08 0.00 0.00 178.15 177.70 2ayz h LYS 933 N 0.00 0.16 -0.35 2.19 3.64 -0.53 0.42 116.57 122.09 2ayz h LYS 933 Ca -0.00 -0.10 -0.10 0.00 -1.27 0.00 0.00 60.65 59.17 2ayz h LYS 933 Cb 0.67 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 2ayz h LYS 933 CO 0.03 0.70 -0.21 -0.56 -2.27 0.00 0.00 179.45 177.14 2ayz h GLN 934 N -0.36 0.68 -0.03 1.90 -0.00 -1.08 -0.11 115.11 116.11 2ayz h GLN 934 Ca 0.00 -0.26 -0.00 0.00 -0.00 0.00 0.00 58.65 58.39 2ayz h GLN 934 Cb 0.70 -0.04 -0.00 0.00 -0.00 0.00 0.00 27.48 28.13 2ayz h GLN 934 CO 0.02 0.84 0.00 1.15 -0.00 0.00 0.00 178.83 180.84 2ayz h THR 935 N 0.60 1.22 -0.11 1.86 2.02 -1.44 -0.02 112.91 117.04 2ayz h THR 935 Ca 0.09 -0.67 0.02 0.00 0.77 0.00 0.00 66.41 66.62 2ayz h THR 935 Cb 0.68 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.69 2ayz h THR 935 CO 0.05 0.18 0.00 -0.07 0.37 0.00 0.00 175.52 176.05 2ayz h LEU 936 N -0.22 -0.03 -0.53 2.58 -0.00 -0.79 -2.04 115.31 114.29 2ayz h LEU 936 Ca 0.01 0.02 -0.07 0.00 -0.00 0.00 0.00 57.88 57.84 2ayz h LEU 936 Cb 0.28 0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 40.96 2ayz h LEU 936 CO 0.00 0.00 0.05 0.74 -0.00 0.00 0.00 178.44 179.23 2ayz h THR 937 N 0.04 1.26 -0.27 0.22 2.02 -1.01 0.04 112.91 115.21 2ayz h THR 937 Ca 0.05 -1.01 -0.00 0.00 0.77 0.00 0.00 66.41 66.21 2ayz h THR 937 Cb 0.06 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 2ayz h THR 937 CO -0.08 0.36 0.16 -0.07 0.37 0.00 0.00 175.52 176.26 2ayz h LEU 938 N 0.78 0.33 -0.68 2.58 3.38 -0.85 -1.58 115.31 119.27 2ayz h LEU 938 Ca 0.16 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 2ayz h LEU 938 Cb 0.46 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2ayz h LEU 938 CO 0.02 0.30 -0.66 1.88 0.09 0.00 0.00 178.44 180.06 2ayz h TYR 939 N 0.34 0.00 -0.39 1.13 0.05 -1.28 -2.32 116.97 114.49 2ayz h TYR 939 Ca 0.10 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 2ayz h TYR 939 Cb 0.03 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.75 2ayz h TYR 939 CO -0.04 0.66 0.22 0.00 -1.05 0.00 0.00 178.16 177.95 2ayz h ALA 940 N 1.34 0.50 -0.48 3.88 0.00 -0.63 -0.17 119.26 123.70 2ayz h ALA 940 Ca -0.01 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 2ayz h ALA 940 Cb 1.17 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2ayz h ALA 940 CO 0.09 0.02 0.03 1.05 0.00 0.00 0.00 179.25 180.44 2ayz h GLU 941 N 0.51 0.77 -0.15 0.00 -0.00 -1.19 -1.17 114.58 113.34 2ayz h GLU 941 Ca 0.14 -0.19 -0.01 0.00 -0.00 0.00 0.00 59.36 59.30 2ayz h GLU 941 Cb 0.03 -0.10 -0.01 0.00 -0.00 0.00 0.00 28.75 28.68 2ayz h GLU 941 CO -0.02 0.76 0.06 -0.09 -0.00 0.00 0.00 179.01 179.71 2ayz h ARG 942 N 0.73 0.23 -0.00 1.06 2.43 -0.82 0.32 114.38 118.32 2ayz h ARG 942 Ca 0.15 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 59.10 2ayz h ARG 942 Cb 0.39 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 2ayz h ARG 942 CO 0.01 0.33 -0.80 -0.39 -1.51 0.00 0.00 179.97 177.61 2ayz h VAL 943 N 0.08 1.51 -0.01 0.20 -1.51 -0.99 -2.50 116.25 113.03 2ayz h VAL 943 Ca 0.05 -2.57 -0.24 0.00 -1.23 0.00 0.00 66.70 62.71 2ayz h VAL 943 Cb 0.19 2.40 0.01 0.00 -2.13 0.00 0.00 31.29 31.76 2ayz h VAL 943 CO -0.00 0.74 -0.96 0.03 -1.23 0.00 0.00 177.57 176.15 2ayz h ARG 944 N 0.06 0.52 -0.01 5.19 3.08 -1.05 -0.15 114.38 122.04 2ayz h ARG 944 Ca -0.02 -0.55 -0.14 0.00 0.07 0.00 0.00 59.98 59.33 2ayz h ARG 944 Cb 1.40 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.59 2ayz h ARG 944 CO 0.11 1.18 -0.67 1.57 -1.07 0.00 0.00 179.97 181.09 2ayz h LYS 945 N 0.30 0.04 0.00 0.04 2.10 -0.98 0.60 116.57 118.67 2ayz h LYS 945 Ca -0.09 -0.04 -0.03 0.00 -2.00 0.00 0.00 60.65 58.49 2ayz h LYS 945 Cb 1.60 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.93 2ayz h LYS 945 CO 0.18 0.70 -0.14 0.77 -2.00 0.00 0.00 179.45 178.96 2ayz h SER 946 N 0.03 0.00 0.00 7.07 0.02 -1.39 -3.36 113.55 115.93 2ayz h SER 946 Ca -0.01 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2ayz h SER 946 Cb 1.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 2ayz h SER 946 CO 0.09 0.14 -0.51 -0.09 -1.14 0.00 0.00 176.83 175.32 2ayz h ARG 947 N 0.00 0.00 -6.09 3.45 9.65 -0.76 -3.45 114.38 117.19 2ayz h ARG 947 Ca -0.00 0.00 -0.61 0.00 -1.10 0.00 0.00 59.98 58.27 2ayz h ARG 947 Cb 1.06 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 29.53 2ayz h ARG 947 CO 0.02 0.36 0.55 0.34 2.80 0.00 0.00 179.97 184.04 2ayz s ASP 948 N -6.02 6.48 0.00 -3.80 2.15 0.18 -5.08 116.67 110.58 2ayz s ASP 948 Ca -0.15 0.06 0.23 0.00 0.43 0.00 0.00 52.55 53.12 2ayz s ASP 948 Cb 0.02 -2.44 0.18 0.00 -0.30 0.00 0.00 42.92 40.38 2ayz s ASP 948 CO 0.32 -1.04 1.24 -1.20 -0.17 0.00 0.00 175.17 174.31