#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 -0.80 -0.14 3.14 0.00 -1.26 -5.13 121.76 117.57 2ayz s ALA 818 Ca 0.00 -1.03 -0.22 0.00 0.00 0.00 0.00 51.96 50.72 2ayz s ALA 818 Cb 0.00 -2.26 0.05 0.00 0.00 0.00 0.00 23.12 20.91 2ayz s ALA 818 CO 0.00 -2.15 0.55 0.54 0.00 0.00 0.00 175.76 174.71 2ayz s VAL 819 N 0.91 0.01 -0.08 0.00 0.11 -1.26 -5.16 120.40 114.93 2ayz s VAL 819 Ca 0.26 -0.08 0.02 0.00 -2.93 0.00 0.00 61.98 59.26 2ayz s VAL 819 Cb -0.03 -0.81 -0.02 0.00 -1.53 0.00 0.00 36.38 33.98 2ayz s VAL 819 CO -0.08 -0.04 -0.13 -0.44 -3.33 0.00 0.00 175.10 171.07 2ayz s SER 820 N -0.30 4.06 -0.04 3.54 0.01 -1.26 -5.13 113.70 114.59 2ayz s SER 820 Ca -0.05 -0.23 0.03 0.00 1.31 0.00 0.00 55.95 57.01 2ayz s SER 820 Cb -0.03 -1.12 0.01 0.00 0.21 0.00 0.00 66.02 65.09 2ayz s SER 820 CO 0.03 0.29 -0.10 -0.62 0.41 0.00 0.00 173.24 173.25 2ayz s ASP 821 N -0.38 1.43 -0.45 2.44 2.15 -1.26 -5.07 116.67 115.53 2ayz s ASP 821 Ca 0.04 -0.23 0.02 0.00 0.43 0.00 0.00 52.55 52.81 2ayz s ASP 821 Cb -0.12 -0.46 0.20 0.00 -0.30 0.00 0.00 42.92 42.23 2ayz s ASP 821 CO 0.02 0.06 0.86 0.21 -0.17 0.00 0.00 175.17 176.15 2ayz s ASN 822 N 0.31 -1.03 -0.58 -0.34 3.04 -1.26 -5.00 114.94 110.08 2ayz s ASN 822 Ca -0.06 -1.15 -0.05 0.00 0.04 0.00 0.00 52.86 51.64 2ayz s ASN 822 Cb -0.11 1.34 0.02 0.00 -1.54 0.00 0.00 41.25 40.97 2ayz s ASN 822 CO 0.01 -0.04 2.83 -0.90 -3.04 0.00 0.00 177.10 175.95 2ayz n ASP 823 N 2.95 6.65 -3.44 -4.21 5.75 -1.26 -4.83 116.55 118.16 2ayz n ASP 823 Ca 0.15 -3.08 -0.40 0.00 -0.01 0.00 0.00 54.79 51.45 2ayz n ASP 823 Cb 0.59 -1.29 -0.02 0.00 -1.03 0.00 0.00 41.12 39.38 2ayz n ASP 823 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2ayz n ASP 824 N 1.31 7.95 -4.55 -1.12 2.03 -1.26 -4.88 116.55 116.03 2ayz n ASP 824 Ca 0.51 -2.84 -0.39 0.00 0.52 0.00 0.00 54.79 52.59 2ayz n ASP 824 Cb 0.54 -1.49 -0.03 0.00 -0.72 0.00 0.00 41.12 39.42 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 0.87 3.23 -0.21 -0.67 1.75 -1.26 -4.97 119.30 118.03 2ayz s MET 825 Ca 0.61 -0.49 -0.26 0.00 -1.25 0.00 0.00 55.69 54.30 2ayz s MET 825 Cb 0.17 -4.72 -0.01 0.00 2.84 0.00 0.00 34.83 33.11 2ayz s MET 825 CO -0.07 -2.34 0.88 0.00 -0.65 0.00 0.00 175.02 172.84 2ayz s MET 826 N 5.70 4.25 0.02 4.11 0.23 -1.26 -1.93 119.30 130.42 2ayz s MET 826 Ca 0.46 1.07 0.08 0.00 -1.03 0.00 0.00 55.69 56.27 2ayz s MET 826 Cb -0.05 -3.61 -0.03 0.00 -1.53 0.00 0.00 34.83 29.60 2ayz s MET 826 CO 0.05 -0.46 -0.23 0.42 -2.03 0.00 0.00 175.02 172.76 2ayz s ILE 827 N 2.63 2.36 -0.49 3.16 -1.09 0.01 -2.26 121.20 125.52 2ayz s ILE 827 Ca 0.38 -1.24 -0.16 0.00 -2.23 0.00 0.00 60.65 57.41 2ayz s ILE 827 Cb -0.16 -1.92 0.09 0.00 -1.58 0.00 0.00 42.46 38.89 2ayz s ILE 827 CO 0.09 0.42 0.44 -0.22 -1.23 0.00 0.00 174.94 174.44 2ayz s LEU 828 N -1.14 5.72 -0.79 2.97 0.20 0.13 -0.95 118.68 124.82 2ayz s LEU 828 Ca 0.12 -1.42 -0.21 0.00 0.69 0.00 0.00 54.13 53.31 2ayz s LEU 828 Cb -0.10 -2.21 0.10 0.00 -0.43 0.00 0.00 46.19 43.55 2ayz s LEU 828 CO 0.02 -0.73 1.05 0.68 -0.29 0.00 0.00 176.35 177.08 2ayz s VAL 829 N 1.72 4.49 -0.16 1.68 -7.23 0.29 -2.15 120.40 119.04 2ayz s VAL 829 Ca 0.05 -0.92 -0.05 0.00 -1.81 0.00 0.00 61.98 59.24 2ayz s VAL 829 Cb -0.25 -4.74 -0.03 0.00 0.56 0.00 0.00 36.38 31.92 2ayz s VAL 829 CO 0.06 -1.49 0.01 -0.69 -0.31 0.00 0.00 175.10 172.67 2ayz s VAL 830 N 3.47 4.29 -0.24 1.32 1.01 -0.90 -2.44 120.40 126.91 2ayz s VAL 830 Ca 0.27 -0.22 -0.18 0.00 0.00 0.00 0.00 61.98 61.86 2ayz s VAL 830 Cb -0.11 -2.89 0.07 0.00 0.00 0.00 0.00 36.38 33.44 2ayz s VAL 830 CO 0.01 0.50 0.60 -0.62 0.00 0.00 0.00 175.10 175.59 2ayz s ASP 831 N 0.19 -0.72 0.00 3.32 2.15 -0.56 -0.38 116.67 120.68 2ayz s ASP 831 Ca 0.01 1.27 0.27 0.00 0.43 0.00 0.00 52.55 54.53 2ayz s ASP 831 Cb -0.13 1.22 0.95 0.00 -0.30 0.00 0.00 42.92 44.66 2ayz s ASP 831 CO 0.02 -0.22 1.69 -0.90 -0.17 0.00 0.00 175.17 175.59 2ayz n ASP 832 N 3.47 0.89 -3.95 -0.34 5.75 -0.91 -4.11 116.55 117.35 2ayz n ASP 832 Ca -0.17 -0.86 -0.30 0.00 -0.01 0.00 0.00 54.79 53.45 2ayz n ASP 832 Cb 0.57 0.05 -0.12 0.00 -1.03 0.00 0.00 41.12 40.59 2ayz n ASP 832 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 2ayz s HIS 833 N -2.43 3.41 0.03 2.11 2.46 -1.26 -4.90 115.29 114.71 2ayz s HIS 833 Ca 0.28 -3.21 -0.01 0.00 0.47 0.00 0.00 55.06 52.59 2ayz s HIS 833 Cb 0.20 -2.83 0.06 0.00 -0.13 0.00 0.00 32.58 29.88 2ayz s HIS 833 CO 0.48 -0.66 0.19 -2.30 -2.47 0.00 0.00 174.74 169.98 2ayz n PRO 834 N 2.60 -0.01 -0.22 2.88 -0.02 -1.26 -0.05 135.00 138.92 2ayz n PRO 834 Ca 0.12 0.19 0.08 0.00 -2.02 0.00 0.00 63.50 61.87 2ayz n PRO 834 Cb 0.34 -0.28 0.35 0.00 -0.02 0.00 0.00 33.50 33.89 2ayz n PRO 834 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 2ayz h ILE 835 N 0.00 0.96 -0.10 4.25 -0.00 -1.96 0.36 117.51 121.03 2ayz h ILE 835 Ca 0.06 -0.26 -0.12 0.00 -0.00 0.00 0.00 64.86 64.54 2ayz h ILE 835 Cb 0.10 0.15 0.00 0.00 -0.00 0.00 0.00 36.82 37.07 2ayz h ILE 835 CO -0.12 0.14 -0.41 -1.13 -0.00 0.00 0.00 178.15 176.62 2ayz h ASN 836 N 0.75 0.54 -0.95 2.16 -1.24 -0.87 -2.82 115.58 113.15 2ayz h ASN 836 Ca 0.36 -0.63 0.13 0.00 0.71 0.00 0.00 56.30 56.87 2ayz h ASN 836 Cb 0.41 -0.16 -0.09 0.00 0.73 0.00 0.00 38.32 39.21 2ayz h ASN 836 CO -0.14 1.07 0.57 -0.09 -1.29 0.00 0.00 177.43 177.56 2ayz h ARG 837 N 0.03 0.85 -0.04 6.67 2.43 -1.44 0.28 114.38 123.15 2ayz h ARG 837 Ca -0.02 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2ayz h ARG 837 Cb 1.05 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.38 2ayz h ARG 837 CO 0.09 0.56 -0.10 -0.09 -1.51 0.00 0.00 179.97 178.92 2ayz h ARG 838 N 0.88 -0.15 0.00 0.20 1.12 -0.83 0.09 114.38 115.69 2ayz h ARG 838 Ca 0.48 0.01 -0.10 0.00 -1.11 0.00 0.00 59.98 59.26 2ayz h ARG 838 Cb 0.54 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.52 2ayz h ARG 838 CO -0.29 -0.10 -0.49 1.25 -3.11 0.00 0.00 179.97 177.23 2ayz h LEU 839 N -0.15 0.00 -0.18 3.80 6.46 -1.11 -0.34 115.31 123.80 2ayz h LEU 839 Ca 0.05 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.69 2ayz h LEU 839 Cb 0.23 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.16 2ayz h LEU 839 CO -0.14 0.49 -0.39 0.25 -0.62 0.00 0.00 178.44 178.04 2ayz h LEU 840 N 0.00 0.65 -0.76 2.25 5.85 -0.28 0.11 115.31 123.12 2ayz h LEU 840 Ca -0.00 -0.56 -0.13 0.00 0.84 0.00 0.00 57.88 58.02 2ayz h LEU 840 Cb 1.28 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2ayz h LEU 840 CO 0.06 1.09 -0.53 0.00 -0.34 0.00 0.00 178.44 178.72 2ayz h ALA 841 N 0.57 0.95 -0.16 1.25 0.00 -0.92 -1.84 119.26 119.11 2ayz h ALA 841 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2ayz h ALA 841 Cb 0.99 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2ayz h ALA 841 CO 0.09 0.68 0.10 0.22 0.00 0.00 0.00 179.25 180.33 2ayz h ASP 842 N 0.18 0.16 -0.26 0.00 1.82 -0.92 0.48 116.42 117.89 2ayz h ASP 842 Ca 0.00 -0.00 0.02 0.00 -0.39 0.00 0.00 57.03 56.66 2ayz h ASP 842 Cb 1.00 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.95 2ayz h ASP 842 CO 0.08 0.12 0.12 1.56 -1.61 0.00 0.00 179.24 179.51 2ayz h GLN 843 N 0.20 0.26 -0.68 0.28 4.20 -0.80 -1.85 115.11 116.71 2ayz h GLN 843 Ca 0.06 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 2ayz h GLN 843 Cb -0.02 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 2ayz h GLN 843 CO -0.02 0.17 0.34 1.25 -0.67 0.00 0.00 178.83 179.90 2ayz h LEU 844 N 0.26 0.86 -1.62 1.46 5.85 -1.13 -1.07 115.31 119.91 2ayz h LEU 844 Ca 0.11 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 2ayz h LEU 844 Cb 0.03 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 2ayz h LEU 844 CO -0.07 0.72 -0.21 1.23 -0.34 0.00 0.00 178.44 179.76 2ayz h GLY 845 N 1.02 0.00 2.00 3.75 0.00 -0.44 -1.01 103.07 108.39 2ayz h GLY 845 Ca 0.24 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.48 2ayz h GLY 845 CO -0.03 0.00 -0.43 1.76 0.00 0.00 0.00 176.54 177.83 2ayz h SER 846 N 0.00 0.00 1.39 0.19 0.02 -0.40 -2.98 113.55 111.76 2ayz h SER 846 Ca -0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 2ayz h SER 846 Cb 0.46 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 2ayz h SER 846 CO 0.03 0.43 -0.39 -0.07 -1.14 0.00 0.00 176.83 175.69 2ayz h LEU 847 N 0.00 0.00 0.00 5.07 3.38 -0.52 -3.48 115.31 119.76 2ayz h LEU 847 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ayz h LEU 847 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2ayz h LEU 847 CO 0.06 0.39 0.00 0.61 0.09 0.00 0.00 178.44 179.58 2ayz n GLY 848 N 0.94 0.69 3.91 0.83 0.00 -0.62 -5.07 105.19 105.86 2ayz n GLY 848 Ca 0.02 -0.63 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 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 2.57 -0.23 1.61 2.02 -1.14 -4.98 117.35 115.21 2ayz s TYR 849 Ca 0.00 -0.51 -0.29 0.00 -0.37 0.00 0.00 57.07 55.89 2ayz s TYR 849 Cb 0.00 -2.20 0.00 0.00 -0.40 0.00 0.00 41.96 39.37 2ayz s TYR 849 CO 0.00 -0.26 1.17 -1.14 -1.57 0.00 0.00 175.55 173.74 2ayz s GLN 850 N -4.21 4.17 -0.59 -0.62 0.74 -0.81 -4.58 119.66 113.75 2ayz s GLN 850 Ca 0.49 1.41 -0.18 0.00 0.05 0.00 0.00 55.36 57.12 2ayz s GLN 850 Cb -0.04 -3.74 0.11 0.00 1.10 0.00 0.00 33.01 30.44 2ayz s GLN 850 CO 0.29 -0.78 0.68 0.00 -0.55 0.00 0.00 175.29 174.93 2ayz s LYS 852 N 2.50 4.18 0.02 0.00 3.01 -0.13 -4.89 119.74 124.44 2ayz s LYS 852 Ca 0.10 0.62 -0.18 0.00 -1.01 0.00 0.00 55.97 55.50 2ayz s LYS 852 Cb -0.25 -3.60 -0.06 0.00 -1.01 0.00 0.00 37.83 32.91 2ayz s LYS 852 CO 0.05 -0.30 0.52 0.95 0.51 0.00 0.00 175.35 177.09 2ayz s THR 853 N 2.12 4.90 0.24 2.17 -4.23 -1.26 -0.55 115.64 119.03 2ayz s THR 853 Ca 0.28 1.10 -0.17 0.00 -1.18 0.00 0.00 61.69 61.73 2ayz s THR 853 Cb -0.16 -3.85 0.01 0.00 1.34 0.00 0.00 72.50 69.85 2ayz s THR 853 CO 0.10 0.50 0.57 0.00 -0.54 0.00 0.00 174.62 175.25 2ayz s ALA 854 N -0.70 -0.78 -0.46 3.99 0.00 -1.02 -4.97 121.76 117.83 2ayz s ALA 854 Ca 0.28 -0.49 0.06 0.00 0.00 0.00 0.00 51.96 51.82 2ayz s ALA 854 Cb -0.18 0.93 0.22 0.00 0.00 0.00 0.00 23.12 24.10 2ayz s ALA 854 CO 0.16 -0.90 0.68 0.27 0.00 0.00 0.00 175.76 175.97 2ayz n ASN 855 N -0.39 -1.79 0.00 0.00 6.94 -1.26 -1.50 115.26 117.26 2ayz n ASN 855 Ca -0.05 -2.93 0.00 0.00 -0.02 0.00 0.00 54.58 51.58 2ayz n ASN 855 Cb 0.61 0.78 0.00 0.00 -2.36 0.00 0.00 39.78 38.81 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 1.98 0.00 0.01 0.53 2.03 -1.26 -4.51 116.55 115.32 2ayz n ASP 856 Ca 0.17 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.35 2ayz n ASP 856 Cb 0.57 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.88 2ayz n ASP 856 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2ayz h GLY 857 N 0.00 -0.01 2.00 0.27 0.00 -1.95 -2.67 103.07 100.72 2ayz h GLY 857 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 2ayz h GLY 857 CO 0.00 -0.00 -0.60 -2.08 0.00 0.00 0.00 176.54 173.86 2ayz h VAL 858 N -0.28 1.28 -0.61 4.60 2.07 -1.96 -2.91 116.25 118.44 2ayz h VAL 858 Ca -0.00 -2.15 0.08 0.00 0.82 0.00 0.00 66.70 65.45 2ayz h VAL 858 Cb 0.28 2.21 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 2ayz h VAL 858 CO 0.00 0.58 0.40 -0.78 0.02 0.00 0.00 177.57 177.80 2ayz h ASP 859 N 0.00 0.46 -0.45 0.57 3.58 -1.88 0.21 116.42 118.91 2ayz h ASP 859 Ca -0.01 0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.49 2ayz h ASP 859 Cb 1.16 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 42.09 2ayz h ASP 859 CO 0.08 0.29 0.30 0.00 -2.88 0.00 0.00 179.24 177.02 2ayz h ALA 860 N 1.68 1.84 -0.27 -0.78 0.00 -1.26 -1.24 119.26 119.22 2ayz h ALA 860 Ca 0.27 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 2ayz h ALA 860 Cb 0.40 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2ayz h ALA 860 CO -0.08 0.11 -0.47 -0.07 0.00 0.00 0.00 179.25 178.74 2ayz h LEU 861 N 0.47 0.89 0.18 0.00 4.07 -1.09 -1.11 115.31 118.71 2ayz h LEU 861 Ca 0.18 -0.53 -0.01 0.00 0.08 0.00 0.00 57.88 57.61 2ayz h LEU 861 Cb 0.15 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 41.64 2ayz h LEU 861 CO -0.05 1.24 -0.10 -1.13 -1.08 0.00 0.00 178.44 177.33 2ayz h ASN 862 N 0.56 -0.24 0.26 -0.43 -1.24 -0.87 -0.27 115.58 113.36 2ayz h ASN 862 Ca 0.02 0.01 -0.11 0.00 0.71 0.00 0.00 56.30 56.93 2ayz h ASN 862 Cb 1.07 0.07 -0.01 0.00 0.73 0.00 0.00 38.32 40.18 2ayz h ASN 862 CO 0.11 -0.16 -0.44 1.62 -1.29 0.00 0.00 177.43 177.26 2ayz h VAL 863 N -0.26 1.32 -0.60 2.57 3.04 -1.32 -2.38 116.25 118.62 2ayz h VAL 863 Ca -0.02 -1.59 -0.06 0.00 -1.01 0.00 0.00 66.70 64.03 2ayz h VAL 863 Cb 0.21 1.74 -0.03 0.00 -2.01 0.00 0.00 31.29 31.20 2ayz h VAL 863 CO 0.03 0.47 0.15 0.25 -1.01 0.00 0.00 177.57 177.46 2ayz h LEU 864 N 0.19 0.88 -0.71 3.16 7.12 -0.87 0.81 115.31 125.88 2ayz h LEU 864 Ca 0.01 -0.17 -0.14 0.00 0.13 0.00 0.00 57.88 57.72 2ayz h LEU 864 Cb 0.86 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 40.74 2ayz h LEU 864 CO 0.07 0.86 -0.63 0.28 -0.13 0.00 0.00 178.44 178.88 2ayz h SER 865 N 0.90 0.05 0.20 1.25 0.02 -0.79 -3.20 113.55 111.98 2ayz h SER 865 Ca 0.19 -0.03 -0.29 0.00 -0.84 0.00 0.00 61.79 60.83 2ayz h SER 865 Cb 0.32 -0.01 0.02 0.00 0.14 0.00 0.00 62.40 62.87 2ayz h SER 865 CO -0.00 0.67 -1.19 0.50 -1.14 0.00 0.00 176.83 175.67 2ayz h LYS 866 N 0.03 0.57 -3.12 3.45 1.63 -0.97 -3.45 116.57 114.70 2ayz h LYS 866 Ca -0.01 -0.74 -0.21 0.00 -0.85 0.00 0.00 60.65 58.84 2ayz h LYS 866 Cb 1.13 0.24 -0.30 0.00 -0.60 0.00 0.00 32.23 32.69 2ayz h LYS 866 CO 0.09 1.32 -0.53 1.21 -3.45 0.00 0.00 179.45 178.09 2ayz s ASN 867 N -7.35 -0.20 -1.17 4.20 3.84 0.24 -5.09 114.94 109.42 2ayz s ASN 867 Ca -0.08 0.43 -0.19 0.00 0.21 0.00 0.00 52.86 53.22 2ayz s ASN 867 Cb 0.06 0.32 0.08 0.00 -0.55 0.00 0.00 41.25 41.16 2ayz s ASN 867 CO 0.92 -0.16 1.55 -1.00 -2.79 0.00 0.00 177.10 175.63 2ayz s HIS 868 N 1.18 2.82 0.50 0.43 3.76 -1.24 -4.05 115.29 118.69 2ayz s HIS 868 Ca -0.09 -1.42 -0.22 0.00 -0.15 0.00 0.00 55.06 53.18 2ayz s HIS 868 Cb -0.10 -4.64 -0.06 0.00 1.11 0.00 0.00 32.58 28.88 2ayz s HIS 868 CO -0.07 -1.77 1.18 0.42 -0.85 0.00 0.00 174.74 173.64 2ayz s ILE 869 N 4.00 3.00 -0.16 0.60 1.09 -1.26 -5.00 121.20 123.46 2ayz s ILE 869 Ca 0.48 0.71 -0.19 0.00 -1.10 0.00 0.00 60.65 60.54 2ayz s ILE 869 Cb 0.01 -3.33 -0.17 0.00 -1.06 0.00 0.00 42.46 37.91 2ayz s ILE 869 CO -0.00 -0.05 0.33 -0.78 -0.10 0.00 0.00 174.94 174.34 2ayz h ASP 870 N 1.69 0.00 -3.51 3.58 3.58 -1.83 -3.45 116.42 116.48 2ayz h ASP 870 Ca -0.50 -0.54 -0.65 0.00 0.42 0.00 0.00 57.03 55.76 2ayz h ASP 870 Cb 1.26 0.00 -0.24 0.00 1.72 0.00 0.00 39.33 42.07 2ayz h ASP 870 CO 0.59 1.07 -0.66 -0.63 -2.88 0.00 0.00 179.24 176.72 2ayz s ILE 871 N -2.18 3.94 -0.13 2.25 -1.09 -1.16 -4.20 121.20 118.63 2ayz s ILE 871 Ca -0.19 -0.30 -0.02 0.00 -2.23 0.00 0.00 60.65 57.90 2ayz s ILE 871 Cb 0.01 -2.81 -0.03 0.00 -1.58 0.00 0.00 42.46 38.06 2ayz s ILE 871 CO 0.49 0.39 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.84 2ayz s VAL 872 N 1.38 3.72 -0.20 2.92 1.01 -1.12 -0.69 120.40 127.42 2ayz s VAL 872 Ca 0.05 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 2ayz s VAL 872 Cb -0.15 -2.59 0.06 0.00 0.00 0.00 0.00 36.38 33.69 2ayz s VAL 872 CO 0.01 0.53 -0.01 -1.48 0.00 0.00 0.00 175.10 174.14 2ayz s LEU 873 N 0.06 1.76 -0.48 3.92 2.34 -0.91 -0.43 118.68 124.92 2ayz s LEU 873 Ca -0.01 -0.91 -0.13 0.00 0.06 0.00 0.00 54.13 53.14 2ayz s LEU 873 Cb -0.14 -0.86 0.10 0.00 -0.56 0.00 0.00 46.19 44.73 2ayz s LEU 873 CO 0.03 -0.26 0.39 -0.94 -1.06 0.00 0.00 176.35 174.52 2ayz s SER 874 N 1.65 5.98 -0.24 1.48 1.04 -0.62 -2.13 113.70 120.87 2ayz s SER 874 Ca -0.02 -1.60 -0.21 0.00 0.48 0.00 0.00 55.95 54.59 2ayz s SER 874 Cb -0.17 -2.12 -0.02 0.00 0.10 0.00 0.00 66.02 63.80 2ayz s SER 874 CO -0.07 -0.70 0.65 -0.62 0.98 0.00 0.00 173.24 173.48 2ayz s ASP 875 N 2.82 6.63 -0.12 7.02 -1.08 0.49 -0.96 116.67 131.47 2ayz s ASP 875 Ca 0.04 0.77 0.02 0.00 -0.52 0.00 0.00 52.55 52.86 2ayz s ASP 875 Cb -0.26 -2.35 0.01 0.00 -1.46 0.00 0.00 42.92 38.86 2ayz s ASP 875 CO 0.03 -0.36 -0.20 0.68 0.52 0.00 0.00 175.17 175.85 2ayz s VAL 876 N 2.39 1.83 -0.15 1.11 -7.23 0.01 -2.15 120.40 116.20 2ayz s VAL 876 Ca 0.27 -0.85 0.13 0.00 -1.81 0.00 0.00 61.98 59.72 2ayz s VAL 876 Cb -0.16 -1.63 -0.18 0.00 0.56 0.00 0.00 36.38 34.97 2ayz s VAL 876 CO 0.09 0.51 0.04 -3.20 -0.31 0.00 0.00 175.10 172.23 2ayz n ASN 877 N 4.04 1.38 -3.94 4.85 5.15 -1.26 -2.11 115.26 123.37 2ayz n ASN 877 Ca -0.20 -0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.48 2ayz n ASN 877 Cb 0.52 0.83 -0.12 0.00 -0.53 0.00 0.00 39.78 40.48 2ayz n ASN 877 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 2ayz s MET 878 N -2.36 2.44 0.00 1.20 1.75 -1.26 -4.90 119.30 116.16 2ayz s MET 878 Ca -0.08 -3.13 0.00 0.00 -1.25 0.00 0.00 55.69 51.23 2ayz s MET 878 Cb 0.04 -3.47 0.00 0.00 2.84 0.00 0.00 34.83 34.24 2ayz s MET 878 CO 0.60 -1.23 0.00 -0.35 -0.65 0.00 0.00 175.02 173.39 2ayz n PRO 879 N 2.36 0.00 0.00 4.11 -0.05 -1.26 -5.02 135.00 135.14 2ayz n PRO 879 Ca 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.61 2ayz n PRO 879 Cb 0.35 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.80 2ayz n PRO 879 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 175.50 173.74 2ayz n ASN 880 N 0.00 0.00 -4.43 3.54 5.15 -1.26 -5.03 115.26 113.23 2ayz n ASN 880 Ca 0.00 0.00 -0.44 0.00 -0.60 0.00 0.00 54.58 53.54 2ayz n ASN 880 Cb 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.23 2ayz n ASN 880 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2ayz s MET 881 N 0.98 3.59 0.00 1.20 -1.94 -1.26 -4.65 119.30 117.22 2ayz s MET 881 Ca 0.00 -1.87 0.00 0.00 -1.71 0.00 0.00 55.69 52.11 2ayz s MET 881 Cb 0.00 -4.82 0.00 0.00 2.01 0.00 0.00 34.83 32.02 2ayz s MET 881 CO 0.00 -1.69 0.00 -0.25 -0.01 0.00 0.00 175.02 173.07 2ayz n ASP 882 N 6.11 0.00 0.00 3.03 8.00 -1.26 -3.94 116.55 128.49 2ayz n ASP 882 Ca 0.22 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.72 2ayz n ASP 882 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 2ayz n ASP 882 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ayz n GLY 883 N 0.00 1.06 0.27 0.44 0.00 -1.26 -4.72 105.19 100.97 2ayz n GLY 883 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 0.58 0.00 1.61 -0.00 -1.90 -3.33 116.97 113.93 2ayz h TYR 884 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 58.73 58.63 2ayz h TYR 884 Cb 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 36.73 36.56 2ayz h TYR 884 CO 0.00 0.60 -0.11 -0.09 -0.00 0.00 0.00 178.16 178.56 2ayz h ARG 885 N 0.52 0.00 -0.04 0.10 1.12 -1.93 -1.67 114.38 112.48 2ayz h ARG 885 Ca 0.10 0.00 -0.11 0.00 -1.11 0.00 0.00 59.98 58.86 2ayz h ARG 885 Cb 0.42 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.36 2ayz h ARG 885 CO 0.02 0.11 -0.50 1.37 -3.11 0.00 0.00 179.97 177.86 2ayz h LEU 886 N 0.00 0.10 -0.09 3.80 8.10 -1.96 -0.03 115.31 125.23 2ayz h LEU 886 Ca -0.00 -0.05 -0.14 0.00 0.11 0.00 0.00 57.88 57.80 2ayz h LEU 886 Cb 0.26 -0.03 -0.02 0.00 -0.44 0.00 0.00 40.66 40.43 2ayz h LEU 886 CO 0.01 0.58 -0.66 0.74 -4.11 0.00 0.00 178.44 175.01 2ayz h THR 887 N 0.08 1.16 -0.40 0.15 2.02 -1.56 -2.88 112.91 111.46 2ayz h THR 887 Ca 0.00 -2.56 -0.00 0.00 0.77 0.00 0.00 66.41 64.62 2ayz h THR 887 Cb 0.91 2.52 -0.02 0.00 -1.74 0.00 0.00 68.15 69.82 2ayz h THR 887 CO 0.07 0.64 0.24 -0.61 0.37 0.00 0.00 175.52 176.24 2ayz h GLN 888 N 0.00 0.54 -0.92 6.66 -0.00 -0.89 0.12 115.11 120.63 2ayz h GLN 888 Ca -0.01 -0.05 0.02 0.00 -0.00 0.00 0.00 58.65 58.61 2ayz h GLN 888 Cb 1.47 -0.11 -0.05 0.00 0.00 0.00 0.00 27.48 28.79 2ayz h GLN 888 CO 0.09 0.40 0.61 -0.09 0.00 0.00 0.00 178.83 179.83 2ayz h ARG 889 N 0.53 1.18 -0.70 1.69 1.12 -1.37 -0.66 114.38 116.17 2ayz h ARG 889 Ca 0.14 -0.07 0.01 0.00 -1.11 0.00 0.00 59.98 58.95 2ayz h ARG 889 Cb -0.01 -0.27 -0.04 0.00 -0.01 0.00 0.00 29.97 29.65 2ayz h ARG 889 CO -0.03 0.78 0.46 0.82 -3.11 0.00 0.00 179.97 178.90 2ayz h ILE 890 N 1.22 1.17 -0.52 1.20 2.04 -1.10 -1.36 117.51 120.16 2ayz h ILE 890 Ca 0.34 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 2ayz h ILE 890 Cb -0.11 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.10 2ayz h ILE 890 CO -0.08 0.17 0.26 -0.09 0.00 0.00 0.00 178.15 178.41 2ayz h ARG 891 N 0.94 0.75 -0.56 2.37 2.43 0.03 -2.35 114.38 117.98 2ayz h ARG 891 Ca 0.26 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 2ayz h ARG 891 Cb -0.10 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.29 2ayz h ARG 891 CO -0.06 0.61 0.29 1.96 -1.51 0.00 0.00 179.97 181.27 2ayz h GLN 892 N 0.70 0.78 -0.87 0.20 1.08 -0.87 -1.61 115.11 114.51 2ayz h GLN 892 Ca 0.18 -0.08 0.03 0.00 -1.45 0.00 0.00 58.65 57.33 2ayz h GLN 892 Cb 0.11 -0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 27.33 2ayz h GLN 892 CO -0.02 0.58 0.57 1.25 -0.95 0.00 0.00 178.83 180.26 2ayz h LEU 893 N 0.78 0.95 -1.60 1.46 7.12 -0.73 -3.47 115.31 119.82 2ayz h LEU 893 Ca 0.20 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.20 2ayz h LEU 893 Cb 0.04 -0.22 0.00 0.00 -0.53 0.00 0.00 40.66 39.95 2ayz h LEU 893 CO -0.03 0.66 0.00 0.61 -0.13 0.00 0.00 178.44 179.55 2ayz n GLY 894 N -1.40 0.74 3.52 3.75 0.00 -0.61 -5.01 105.19 106.19 2ayz n GLY 894 Ca 0.11 -0.41 -0.51 0.00 0.00 0.00 0.00 46.02 45.21 2ayz n GLY 894 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2ayz n LEU 895 N -0.80 0.63 -0.83 0.99 -0.00 -1.20 -4.90 117.00 110.89 2ayz n LEU 895 Ca 0.00 1.14 0.05 0.00 -0.00 0.00 0.00 56.01 57.21 2ayz n LEU 895 Cb 0.31 -1.10 0.22 0.00 -0.00 0.00 0.00 43.42 42.85 2ayz n LEU 895 CO 0.00 -1.79 0.68 0.41 -0.00 0.00 0.00 177.39 176.68 2ayz n THR 896 N 1.11 2.30 -3.52 1.47 -1.04 -1.26 -5.01 114.28 108.33 2ayz n THR 896 Ca 0.16 -2.22 -0.14 0.00 -2.04 0.00 0.00 64.05 59.82 2ayz n THR 896 Cb 0.22 -0.27 -0.04 0.00 -1.82 0.00 0.00 70.33 68.41 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 -2.97 -0.29 0.23 -4.42 2.34 -1.26 -5.11 118.68 107.20 2ayz s LEU 897 Ca 0.41 0.16 -0.30 0.00 0.06 0.00 0.00 54.13 54.46 2ayz s LEU 897 Cb 0.35 2.33 -0.09 0.00 -0.56 0.00 0.00 46.19 48.22 2ayz s LEU 897 CO 0.05 -0.80 1.07 -2.84 -1.06 0.00 0.00 176.35 172.77 2ayz s PRO 898 N -2.81 4.66 -0.15 1.48 0.02 -1.26 -4.97 135.00 131.97 2ayz s PRO 898 Ca -0.03 1.71 0.00 0.00 0.02 0.00 0.00 61.00 62.70 2ayz s PRO 898 Cb -0.00 -3.24 -0.00 0.00 0.02 0.00 0.00 34.50 31.27 2ayz s PRO 898 CO -0.05 0.22 -0.15 0.08 -0.33 0.00 0.00 177.00 176.77 2ayz s VAL 899 N -0.80 2.70 -0.41 3.83 1.01 -1.09 -2.81 120.40 122.83 2ayz s VAL 899 Ca 0.46 -0.76 -0.12 0.00 0.00 0.00 0.00 61.98 61.56 2ayz s VAL 899 Cb -0.30 -2.14 0.05 0.00 0.00 0.00 0.00 36.38 33.99 2ayz s VAL 899 CO 0.37 0.51 0.26 -0.63 0.00 0.00 0.00 175.10 175.62 2ayz s ILE 900 N 0.78 4.71 -0.46 2.22 1.01 0.42 -1.65 121.20 128.23 2ayz s ILE 900 Ca -0.06 -0.99 -0.24 0.00 0.00 0.00 0.00 60.65 59.36 2ayz s ILE 900 Cb -0.15 -3.72 0.03 0.00 0.01 0.00 0.00 42.46 38.63 2ayz s ILE 900 CO 0.00 -0.37 0.85 -0.83 0.00 0.00 0.00 174.94 174.60 2ayz s GLY 901 N 1.88 1.53 -0.78 6.18 0.00 -0.12 -1.59 107.32 114.42 2ayz s GLY 901 Ca 0.03 -0.93 -0.20 0.00 0.00 0.00 0.00 44.72 43.62 2ayz s GLY 901 CO 0.06 1.90 0.99 0.14 0.00 0.00 0.00 173.10 176.20 2ayz s VAL 902 N 3.52 4.65 -0.12 1.40 1.01 -0.14 -0.70 120.40 130.02 2ayz s VAL 902 Ca 0.33 -1.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.12 2ayz s VAL 902 Cb -0.11 -4.69 -0.04 0.00 0.00 0.00 0.00 36.38 31.54 2ayz s VAL 902 CO 0.24 -1.41 0.09 0.42 0.00 0.00 0.00 175.10 174.44 2ayz s THR 903 N 3.02 5.11 -0.56 3.92 -4.23 -0.27 -0.81 115.64 121.83 2ayz s THR 903 Ca 0.25 0.06 -0.22 0.00 -1.18 0.00 0.00 61.69 60.61 2ayz s THR 903 Cb -0.12 -3.22 0.06 0.00 1.34 0.00 0.00 72.50 70.55 2ayz s THR 903 CO -0.01 0.59 0.83 0.00 -0.54 0.00 0.00 174.62 175.50 2ayz s ALA 904 N -0.79 3.24 -1.30 3.99 0.00 -0.89 -2.52 121.76 123.49 2ayz s ALA 904 Ca 0.13 -1.57 -0.01 0.00 0.00 0.00 0.00 51.96 50.51 2ayz s ALA 904 Cb -0.12 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.38 2ayz s ALA 904 CO 0.03 -2.34 0.77 -1.71 0.00 0.00 0.00 175.76 172.52 2ayz n ASN 905 N 7.03 -1.55 -4.43 0.00 5.15 -1.26 -4.91 115.26 115.28 2ayz n ASN 905 Ca -0.03 -0.78 -0.44 0.00 -0.60 0.00 0.00 54.58 52.73 2ayz n ASN 905 Cb 0.46 -4.26 -0.01 0.00 -0.53 0.00 0.00 39.78 35.44 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 -3.59 3.97 0.16 5.20 0.00 -1.26 -5.01 121.76 121.22 2ayz s ALA 906 Ca 0.04 -3.28 -0.34 0.00 0.00 0.00 0.00 51.96 48.38 2ayz s ALA 906 Cb -0.02 -3.96 -0.15 0.00 0.00 0.00 0.00 23.12 18.99 2ayz s ALA 906 CO 0.80 -2.69 1.35 -0.11 0.00 0.00 0.00 175.76 175.11 2ayz n LEU 907 N 5.24 2.18 -3.13 0.00 0.00 -1.26 -2.21 117.00 117.82 2ayz n LEU 907 Ca 0.29 1.12 -0.14 0.00 0.00 0.00 0.00 56.01 57.28 2ayz n LEU 907 Cb 0.44 -1.29 0.07 0.00 0.00 0.00 0.00 43.42 42.64 2ayz n LEU 907 CO 0.54 -0.86 0.05 0.00 0.00 0.00 0.00 177.39 177.12 2ayz n ALA 908 N 2.27 -2.14 -0.27 1.96 0.00 -1.26 -4.86 120.51 116.21 2ayz n ALA 908 Ca 0.16 0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.69 2ayz n ALA 908 Cb 0.25 -4.26 0.24 0.00 0.00 0.00 0.00 19.45 15.69 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 -1.24 0.99 -0.08 0.00 5.08 -1.88 -0.15 114.58 117.30 2ayz h GLU 909 Ca -0.55 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 57.73 2ayz h GLU 909 Cb 1.29 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2ayz h GLU 909 CO 0.42 0.66 -0.06 1.05 -1.00 0.00 0.00 179.01 180.08 2ayz h GLU 910 N 1.02 0.12 0.01 2.33 9.09 -1.91 -0.08 114.58 125.17 2ayz h GLU 910 Ca 0.34 -0.02 -0.19 0.00 0.05 0.00 0.00 59.36 59.54 2ayz h GLU 910 Cb 0.08 -0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 27.13 2ayz h GLU 910 CO -0.11 0.19 -0.91 -0.22 0.05 0.00 0.00 179.01 178.01 2ayz h LYS 911 N 0.12 0.05 -0.54 1.06 3.64 -1.40 -1.83 116.57 117.66 2ayz h LYS 911 Ca 0.03 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 2ayz h LYS 911 Cb 0.18 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 2ayz h LYS 911 CO 0.01 0.92 -0.06 1.96 -2.27 0.00 0.00 179.45 180.01 2ayz h GLN 912 N 0.02 1.00 -0.20 1.90 7.50 -0.70 -2.51 115.11 122.14 2ayz h GLN 912 Ca -0.02 -0.35 0.05 0.00 0.50 0.00 0.00 58.65 58.83 2ayz h GLN 912 Cb 1.59 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 29.04 2ayz h GLN 912 CO 0.12 1.03 0.14 -0.09 -1.50 0.00 0.00 178.83 178.54 2ayz h ARG 913 N 0.88 0.03 -0.47 1.46 2.43 -0.77 0.30 114.38 118.24 2ayz h ARG 913 Ca 0.15 -0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.18 2ayz h ARG 913 Cb 0.62 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 2ayz h ARG 913 CO 0.04 0.02 -0.24 0.00 -1.51 0.00 0.00 179.97 178.28 2ayz h LEU 915 N 0.84 -0.18 0.10 0.00 7.12 -0.14 -3.38 115.31 119.66 2ayz h LEU 915 Ca 0.10 -0.35 -0.13 0.00 0.13 0.00 0.00 57.88 57.63 2ayz h LEU 915 Cb 0.81 0.05 0.02 0.00 -0.53 0.00 0.00 40.66 41.01 2ayz h LEU 915 CO 0.07 0.37 -0.58 1.05 -0.13 0.00 0.00 178.44 179.22 2ayz h GLU 916 N -0.87 0.22 -6.22 1.25 -0.00 -0.89 -3.47 114.58 104.60 2ayz h GLU 916 Ca -0.02 -0.37 -0.44 0.00 -0.00 0.00 0.00 59.36 58.53 2ayz h GLU 916 Cb 0.52 0.14 0.03 0.00 -0.00 0.00 0.00 28.75 29.44 2ayz h GLU 916 CO 0.04 1.17 -0.87 0.43 -0.00 0.00 0.00 179.01 179.78 2ayz n SER 917 N -4.26 -1.82 -0.91 3.06 7.64 -0.36 -4.22 113.62 112.76 2ayz n SER 917 Ca -0.13 -0.91 0.01 0.00 1.01 0.00 0.00 58.87 58.85 2ayz n SER 917 Cb 0.72 -3.65 0.00 0.00 -1.01 0.00 0.00 64.21 60.28 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 -1.72 0.73 0.00 0.23 0.00 -1.26 -4.69 105.19 98.48 2ayz n GLY 918 Ca -0.26 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 0.19 0.00 0.00 1.61 0.00 -1.26 -4.62 117.12 113.04 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 0.85 0.00 0.00 0.00 0.00 0.00 0.00 33.22 34.07 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 -4.10 6.12 2.03 -0.66 -2.67 116.55 117.28 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 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 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 0.72 0.03 1.67 0.01 -1.08 -5.03 113.70 110.02 2ayz s SER 921 Ca 0.00 -0.86 0.06 0.00 1.31 0.00 0.00 55.95 56.45 2ayz s SER 921 Cb 0.00 0.13 -0.02 0.00 0.21 0.00 0.00 66.02 66.34 2ayz s SER 921 CO 0.00 -0.46 -0.17 0.00 0.41 0.00 0.00 173.24 173.03 2ayz n LEU 923 N 2.04 0.00 -4.46 0.00 4.77 0.13 -4.93 117.00 114.54 2ayz n LEU 923 Ca -0.17 -1.80 -0.23 0.00 -0.03 0.00 0.00 56.01 53.78 2ayz n LEU 923 Cb 0.54 0.84 -0.10 0.00 -2.33 0.00 0.00 43.42 42.37 2ayz n LEU 923 CO 0.23 -0.29 -0.47 -0.44 -1.33 0.00 0.00 177.39 175.09 2ayz s SER 924 N -2.36 3.48 0.26 -1.43 0.01 -1.26 -1.11 113.70 111.30 2ayz s SER 924 Ca 0.19 -1.04 -0.05 0.00 1.31 0.00 0.00 55.95 56.37 2ayz s SER 924 Cb 0.01 -0.28 0.52 0.00 0.21 0.00 0.00 66.02 66.47 2ayz s SER 924 CO 0.14 0.00 1.62 0.50 0.41 0.00 0.00 173.24 175.91 2ayz h LYS 925 N 2.29 0.09 -4.82 12.44 3.64 -1.75 -3.20 116.57 125.25 2ayz h LYS 925 Ca -0.40 -0.01 -0.53 0.00 -1.27 0.00 0.00 60.65 58.44 2ayz h LYS 925 Cb 1.26 -0.02 0.06 0.00 -0.41 0.00 0.00 32.23 33.11 2ayz h LYS 925 CO 0.61 0.06 1.69 -2.30 -2.27 0.00 0.00 179.45 177.23 2ayz n PRO 926 N -5.37 1.03 -3.19 1.90 -0.02 -1.26 -4.92 135.00 123.17 2ayz n PRO 926 Ca 0.16 -1.72 -0.28 0.00 -2.02 0.00 0.00 63.50 59.63 2ayz n PRO 926 Cb 0.54 -3.02 -0.03 0.00 -0.02 0.00 0.00 33.50 30.97 2ayz n PRO 926 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2ayz s VAL 927 N 7.46 4.97 0.26 -1.45 0.11 -1.21 -5.11 120.40 125.42 2ayz s VAL 927 Ca 0.64 0.15 0.01 0.00 -2.93 0.00 0.00 61.98 59.85 2ayz s VAL 927 Cb 0.11 -3.75 -0.05 0.00 -1.53 0.00 0.00 36.38 31.16 2ayz s VAL 927 CO 0.19 -0.42 0.12 -0.89 -3.33 0.00 0.00 175.10 170.77 2ayz s THR 928 N -2.21 0.36 0.16 5.04 2.01 -1.26 -5.03 115.64 114.71 2ayz s THR 928 Ca 0.45 -2.00 -0.16 0.00 0.31 0.00 0.00 61.69 60.30 2ayz s THR 928 Cb -0.10 -2.57 0.02 0.00 0.01 0.00 0.00 72.50 69.85 2ayz s THR 928 CO 0.32 0.00 1.77 0.25 -0.69 0.00 0.00 174.62 176.27 2ayz h LEU 929 N 2.40 0.27 -0.41 4.42 7.12 -1.98 0.39 115.31 127.52 2ayz h LEU 929 Ca -0.36 0.02 -0.12 0.00 0.13 0.00 0.00 57.88 57.54 2ayz h LEU 929 Cb 1.25 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 41.34 2ayz h LEU 929 CO 0.57 0.20 -0.23 -0.78 -0.13 0.00 0.00 178.44 178.06 2ayz h ASP 930 N 0.38 0.91 -0.41 1.25 3.58 -1.98 -0.27 116.42 119.88 2ayz h ASP 930 Ca 0.16 -0.42 -0.02 0.00 0.42 0.00 0.00 57.03 57.18 2ayz h ASP 930 Cb 0.08 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.86 2ayz h ASP 930 CO -0.12 1.12 0.17 0.58 -2.88 0.00 0.00 179.24 178.11 2ayz h VAL 931 N 0.69 1.19 -0.12 2.25 2.07 -1.90 -0.83 116.25 119.61 2ayz h VAL 931 Ca 0.09 -0.59 -0.08 0.00 0.82 0.00 0.00 66.70 66.94 2ayz h VAL 931 Cb 0.80 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2ayz h VAL 931 CO 0.07 0.21 -0.30 -0.29 0.02 0.00 0.00 177.57 177.28 2ayz h ILE 932 N 0.51 1.26 -0.56 4.57 2.10 -0.82 -2.26 117.51 122.31 2ayz h ILE 932 Ca 0.14 -1.24 -0.08 0.00 1.08 0.00 0.00 64.86 64.76 2ayz h ILE 932 Cb 0.18 1.51 -0.02 0.00 -1.09 0.00 0.00 36.82 37.40 2ayz h ILE 932 CO -0.01 0.37 0.02 0.50 -1.08 0.00 0.00 178.15 177.95 2ayz h LYS 933 N 0.20 0.97 -0.46 2.19 3.11 -0.54 0.86 116.57 122.88 2ayz h LYS 933 Ca 0.03 -0.30 -0.00 0.00 -2.81 0.00 0.00 60.65 57.57 2ayz h LYS 933 Cb 0.64 -0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 31.76 2ayz h LYS 933 CO 0.05 0.96 0.28 1.96 -2.81 0.00 0.00 179.45 179.88 2ayz h GLN 934 N 0.85 0.63 -0.25 1.90 1.08 -0.70 0.10 115.11 118.73 2ayz h GLN 934 Ca 0.16 -0.06 -0.07 0.00 -1.45 0.00 0.00 58.65 57.24 2ayz h GLN 934 Cb 0.51 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 2ayz h GLN 934 CO 0.02 0.47 -0.10 1.79 -0.95 0.00 0.00 178.83 180.06 2ayz h THR 935 N 0.62 1.29 0.14 -0.54 1.35 -1.27 -2.20 112.91 112.31 2ayz h THR 935 Ca 0.17 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 2ayz h THR 935 Cb 0.00 1.52 -0.01 0.00 -1.73 0.00 0.00 68.15 67.93 2ayz h THR 935 CO -0.03 0.36 -0.13 -0.07 -0.25 0.00 0.00 175.52 175.40 2ayz h LEU 936 N 0.25 -0.33 -0.59 3.87 -0.00 -0.61 0.41 115.31 118.31 2ayz h LEU 936 Ca 0.06 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.96 2ayz h LEU 936 Cb 0.59 0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 41.34 2ayz h LEU 936 CO 0.03 -0.20 0.32 0.74 -0.00 0.00 0.00 178.44 179.33 2ayz h THR 937 N -0.29 1.19 -0.36 0.22 2.02 -1.03 0.47 112.91 115.14 2ayz h THR 937 Ca -0.00 -0.49 -0.03 0.00 0.77 0.00 0.00 66.41 66.66 2ayz h THR 937 Cb 0.27 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 2ayz h THR 937 CO -0.02 0.21 0.10 0.25 0.37 0.00 0.00 175.52 176.42 2ayz h LEU 938 N 0.79 0.53 0.16 2.58 6.46 -1.18 -2.04 115.31 122.62 2ayz h LEU 938 Ca 0.21 -0.22 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 2ayz h LEU 938 Cb 0.05 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 39.84 2ayz h LEU 938 CO -0.03 0.61 -0.08 1.88 -0.62 0.00 0.00 178.44 180.20 2ayz h TYR 939 N 0.42 -0.20 -0.85 1.25 -1.99 -0.72 -1.96 116.97 112.92 2ayz h TYR 939 Ca 0.11 -0.00 0.07 0.00 2.00 0.00 0.00 58.73 60.91 2ayz h TYR 939 Cb 0.28 0.07 -0.06 0.00 2.00 0.00 0.00 36.73 39.02 2ayz h TYR 939 CO 0.01 0.21 0.52 0.00 -0.00 0.00 0.00 178.16 178.90 2ayz h ALA 940 N -0.02 1.18 -0.12 3.88 0.00 -0.96 -1.01 119.26 122.20 2ayz h ALA 940 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2ayz h ALA 940 Cb 0.50 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2ayz h ALA 940 CO 0.04 0.23 0.04 1.49 0.00 0.00 0.00 179.25 181.04 2ayz h GLU 941 N 0.92 0.18 -0.43 0.00 4.57 -1.39 -1.59 114.58 116.84 2ayz h GLU 941 Ca 0.38 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.44 2ayz h GLU 941 Cb 0.22 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 2ayz h GLU 941 CO -0.19 0.33 -0.04 0.07 -1.18 0.00 0.00 179.01 177.99 2ayz h ARG 942 N 0.01 0.72 0.01 1.92 0.11 -0.60 0.51 114.38 117.06 2ayz h ARG 942 Ca 0.04 -0.20 -0.20 0.00 0.10 0.00 0.00 59.98 59.72 2ayz h ARG 942 Cb 0.22 -0.08 -0.02 0.00 1.11 0.00 0.00 29.97 31.20 2ayz h ARG 942 CO -0.00 0.77 -0.91 -0.39 0.10 0.00 0.00 179.97 179.54 2ayz h VAL 943 N 0.67 1.56 -0.01 0.08 -1.51 -1.22 -2.59 116.25 113.23 2ayz h VAL 943 Ca 0.13 -2.83 -0.00 0.00 -1.23 0.00 0.00 66.70 62.77 2ayz h VAL 943 Cb 0.48 2.57 -0.00 0.00 -2.13 0.00 0.00 31.29 32.21 2ayz h VAL 943 CO 0.02 0.82 -0.00 -0.09 -1.23 0.00 0.00 177.57 177.09 2ayz h ARG 944 N 0.06 0.02 -0.08 5.19 2.43 -0.65 -0.90 114.38 120.44 2ayz h ARG 944 Ca -0.04 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.01 2ayz h ARG 944 Cb 1.56 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.10 2ayz h ARG 944 CO 0.13 0.41 -0.47 1.57 -1.51 0.00 0.00 179.97 180.11 2ayz h LYS 945 N -0.37 0.20 0.03 0.20 5.09 -0.99 -0.28 116.57 120.46 2ayz h LYS 945 Ca 0.00 -0.10 -0.00 0.00 0.09 0.00 0.00 60.65 60.64 2ayz h LYS 945 Cb 0.40 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.74 2ayz h LYS 945 CO 0.00 0.63 -0.02 0.77 -2.09 0.00 0.00 179.45 178.74 2ayz h SER 946 N 0.16 -0.04 -0.44 7.07 0.02 -1.48 -3.24 113.55 115.60 2ayz h SER 946 Ca 0.01 -0.67 -0.06 0.00 -0.84 0.00 0.00 61.79 60.23 2ayz h SER 946 Cb 0.89 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.42 2ayz h SER 946 CO 0.07 0.71 0.04 -0.09 -1.14 0.00 0.00 176.83 176.42 2ayz h ARG 947 N -0.85 0.75 -2.80 3.45 2.43 -1.16 -3.28 114.38 112.93 2ayz h ARG 947 Ca -0.00 -0.22 -0.72 0.00 -0.81 0.00 0.00 59.98 58.23 2ayz h ARG 947 Cb 0.71 -0.08 -0.34 0.00 -0.42 0.00 0.00 29.97 29.83 2ayz h ARG 947 CO 0.01 0.80 0.11 -3.47 -1.51 0.00 0.00 179.97 175.91 2ayz n ASP 948 N -4.43 4.99 0.00 -3.80 -0.08 -0.12 -5.09 116.55 108.02 2ayz n ASP 948 Ca 0.00 -3.34 0.13 0.00 -1.51 0.00 0.00 54.79 50.06 2ayz n ASP 948 Cb 0.27 -1.03 0.75 0.00 2.34 0.00 0.00 41.12 43.45 2ayz n ASP 948 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12