#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 1.50 -3.05 7.82 0.00 -1.26 -5.15 120.51 120.38 2ayz n ALA 818 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2ayz n ALA 818 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2ayz n ALA 818 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ayz s VAL 819 N 0.00 0.09 0.17 0.00 0.11 -1.26 -5.17 120.40 114.36 2ayz s VAL 819 Ca 0.00 -0.78 0.09 0.00 -2.93 0.00 0.00 61.98 58.36 2ayz s VAL 819 Cb 0.00 -0.41 -0.04 0.00 -1.53 0.00 0.00 36.38 34.40 2ayz s VAL 819 CO 0.00 -0.43 -0.12 -0.94 -3.33 0.00 0.00 175.10 170.28 2ayz s SER 820 N -1.46 4.12 -0.21 3.54 1.04 -1.26 -5.12 113.70 114.36 2ayz s SER 820 Ca -0.15 -0.61 -0.03 0.00 0.48 0.00 0.00 55.95 55.65 2ayz s SER 820 Cb -0.08 -0.65 -0.00 0.00 0.10 0.00 0.00 66.02 65.39 2ayz s SER 820 CO 0.00 0.11 -0.07 -0.62 0.98 0.00 0.00 173.24 173.64 2ayz s ASP 821 N -2.74 4.07 0.04 7.02 -1.08 -1.26 -4.98 116.67 117.74 2ayz s ASP 821 Ca 0.24 -0.44 -0.15 0.00 -0.52 0.00 0.00 52.55 51.68 2ayz s ASP 821 Cb -0.09 -1.69 -0.34 0.00 -1.46 0.00 0.00 42.92 39.35 2ayz s ASP 821 CO 0.14 -0.01 1.03 0.78 0.52 0.00 0.00 175.17 177.63 2ayz h ASN 822 N 8.03 0.83 -5.61 -0.34 4.21 -2.09 -3.49 115.58 117.12 2ayz h ASN 822 Ca -0.42 -0.86 -0.02 0.00 1.21 0.00 0.00 56.30 56.21 2ayz h ASN 822 Cb 1.16 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 38.09 2ayz h ASN 822 CO 0.61 1.67 -0.96 -0.67 -1.29 0.00 0.00 177.43 176.78 2ayz n ASP 823 N -3.72 -7.46 -3.76 5.81 2.03 -1.26 -4.80 116.55 103.39 2ayz n ASP 823 Ca -0.16 0.95 -0.42 0.00 0.52 0.00 0.00 54.79 55.68 2ayz n ASP 823 Cb 1.08 -4.02 0.00 0.00 -0.72 0.00 0.00 41.12 37.46 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 0.73 4.05 -4.56 1.67 2.03 -1.26 -4.88 116.55 114.33 2ayz n ASP 824 Ca 0.01 -2.88 -0.36 0.00 0.52 0.00 0.00 54.79 52.08 2ayz n ASP 824 Cb 0.24 -1.64 -0.04 0.00 -0.72 0.00 0.00 41.12 38.96 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 2.81 3.11 -0.43 -0.67 1.75 -1.26 -4.89 119.30 119.72 2ayz s MET 825 Ca 0.46 -0.62 -0.21 0.00 -1.25 0.00 0.00 55.69 54.07 2ayz s MET 825 Cb 0.13 -5.08 0.02 0.00 2.84 0.00 0.00 34.83 32.74 2ayz s MET 825 CO -0.07 -2.67 0.65 0.00 -0.65 0.00 0.00 175.02 172.28 2ayz s MET 826 N 5.92 3.33 -0.21 4.11 0.23 -1.26 -1.38 119.30 130.04 2ayz s MET 826 Ca 0.55 -0.31 -0.11 0.00 -1.03 0.00 0.00 55.69 54.79 2ayz s MET 826 Cb -0.04 -3.94 -0.05 0.00 -1.53 0.00 0.00 34.83 29.28 2ayz s MET 826 CO -0.02 -0.99 0.19 0.42 -2.03 0.00 0.00 175.02 172.59 2ayz s ILE 827 N 2.85 5.36 -0.53 3.16 -1.09 0.07 -0.68 121.20 130.34 2ayz s ILE 827 Ca 0.23 0.30 -0.19 0.00 -2.23 0.00 0.00 60.65 58.77 2ayz s ILE 827 Cb -0.14 -3.53 0.07 0.00 -1.58 0.00 0.00 42.46 37.28 2ayz s ILE 827 CO 0.19 0.38 0.65 -0.22 -1.23 0.00 0.00 174.94 174.71 2ayz s LEU 828 N 0.69 5.10 -0.59 2.97 2.96 -0.07 -1.60 118.68 128.14 2ayz s LEU 828 Ca 0.10 -1.08 -0.20 0.00 -0.22 0.00 0.00 54.13 52.74 2ayz s LEU 828 Cb -0.12 -2.40 0.09 0.00 0.50 0.00 0.00 46.19 44.25 2ayz s LEU 828 CO 0.02 -0.96 0.77 0.68 -1.32 0.00 0.00 176.35 175.54 2ayz s VAL 829 N 2.64 4.69 -0.12 1.68 -7.23 0.44 -0.86 120.40 121.64 2ayz s VAL 829 Ca 0.14 -0.71 -0.06 0.00 -1.81 0.00 0.00 61.98 59.53 2ayz s VAL 829 Cb -0.21 -4.51 -0.04 0.00 0.56 0.00 0.00 36.38 32.18 2ayz s VAL 829 CO 0.10 -1.16 0.11 -0.69 -0.31 0.00 0.00 175.10 173.15 2ayz s VAL 830 N 3.06 5.27 -0.19 1.32 1.01 0.17 -2.29 120.40 128.75 2ayz s VAL 830 Ca 0.15 0.12 -0.13 0.00 0.00 0.00 0.00 61.98 62.12 2ayz s VAL 830 Cb -0.21 -3.29 0.06 0.00 0.00 0.00 0.00 36.38 32.93 2ayz s VAL 830 CO 0.09 0.60 0.48 -0.62 0.00 0.00 0.00 175.10 175.64 2ayz s ASP 831 N -0.88 -0.57 0.39 3.32 -1.08 -0.19 -0.85 116.67 116.80 2ayz s ASP 831 Ca 0.14 1.01 0.07 0.00 -0.52 0.00 0.00 52.55 53.25 2ayz s ASP 831 Cb -0.12 0.94 0.82 0.00 -1.46 0.00 0.00 42.92 43.10 2ayz s ASP 831 CO 0.03 -0.19 1.99 -0.78 0.52 0.00 0.00 175.17 176.75 2ayz h ASP 832 N 6.41 0.56 -3.41 -0.34 3.58 -1.72 -3.36 116.42 118.13 2ayz h ASP 832 Ca -0.32 -0.00 -0.67 0.00 0.42 0.00 0.00 57.03 56.45 2ayz h ASP 832 Cb 1.19 -0.12 -0.33 0.00 1.72 0.00 0.00 39.33 41.78 2ayz h ASP 832 CO 0.24 0.38 -0.88 -1.00 -2.88 0.00 0.00 179.24 175.10 2ayz s HIS 833 N -5.58 2.51 0.41 0.28 3.76 -1.26 -4.90 115.29 110.51 2ayz s HIS 833 Ca -0.09 -1.00 0.18 0.00 -0.15 0.00 0.00 55.06 54.01 2ayz s HIS 833 Cb 0.19 -1.67 1.10 0.00 1.11 0.00 0.00 32.58 33.30 2ayz s HIS 833 CO 0.76 -0.39 1.81 -1.35 -0.85 0.00 0.00 174.74 174.72 2ayz h PRO 834 N 6.65 0.39 -0.19 8.40 0.11 -1.98 -1.34 132.00 144.04 2ayz h PRO 834 Ca -0.21 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.87 2ayz h PRO 834 Cb 1.23 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2ayz h PRO 834 CO 0.47 0.26 0.10 0.97 -0.21 0.00 0.00 178.00 179.59 2ayz h ILE 835 N 0.40 1.12 0.00 4.15 6.09 -1.96 0.22 117.51 127.53 2ayz h ILE 835 Ca 0.53 -0.34 -0.18 0.00 -1.37 0.00 0.00 64.86 63.51 2ayz h ILE 835 Cb 1.35 0.99 -0.03 0.00 0.47 0.00 0.00 36.82 39.61 2ayz h ILE 835 CO -0.23 0.11 -0.85 -1.13 -3.07 0.00 0.00 178.15 172.98 2ayz h ASN 836 N 0.19 0.00 -0.22 2.19 -0.73 -1.84 -2.84 115.58 112.34 2ayz h ASN 836 Ca 0.07 0.00 0.05 0.00 1.87 0.00 0.00 56.30 58.29 2ayz h ASN 836 Cb 0.10 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.63 2ayz h ASN 836 CO -0.01 0.85 -0.12 -0.09 -0.37 0.00 0.00 177.43 177.69 2ayz h ARG 837 N 0.00 -0.10 -0.57 6.67 9.65 -1.00 0.08 114.38 129.11 2ayz h ARG 837 Ca -0.01 0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 2ayz h ARG 837 Cb 1.60 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 30.17 2ayz h ARG 837 CO 0.11 -0.07 0.19 0.07 2.80 0.00 0.00 179.97 183.07 2ayz h ARG 838 N -0.11 0.85 0.21 0.20 -0.00 -0.85 0.21 114.38 114.89 2ayz h ARG 838 Ca 0.12 -0.15 -0.01 0.00 -0.00 0.00 0.00 59.98 59.94 2ayz h ARG 838 Cb 0.29 -0.14 0.00 0.00 -0.00 0.00 0.00 29.97 30.12 2ayz h ARG 838 CO -0.29 0.72 -0.10 1.25 -0.00 0.00 0.00 179.97 181.56 2ayz h LEU 839 N 0.83 -0.24 -1.29 0.08 5.85 -1.21 -0.46 115.31 118.86 2ayz h LEU 839 Ca 0.19 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 2ayz h LEU 839 Cb 0.22 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2ayz h LEU 839 CO -0.01 0.12 0.02 0.25 -0.34 0.00 0.00 178.44 178.48 2ayz h LEU 840 N -0.63 0.46 -0.73 2.25 5.85 -0.87 -1.21 115.31 120.44 2ayz h LEU 840 Ca -0.03 -0.08 -0.14 0.00 0.84 0.00 0.00 57.88 58.48 2ayz h LEU 840 Cb 0.45 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2ayz h LEU 840 CO 0.05 0.51 -0.57 0.00 -0.34 0.00 0.00 178.44 178.09 2ayz h ALA 841 N 1.55 0.92 -0.22 1.25 0.00 -0.92 -2.47 119.26 119.37 2ayz h ALA 841 Ca 0.11 -0.52 -0.16 0.00 0.00 0.00 0.00 54.91 54.34 2ayz h ALA 841 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2ayz h ALA 841 CO 0.01 0.71 -0.52 0.22 0.00 0.00 0.00 179.25 179.66 2ayz h ASP 842 N 0.16 0.68 -0.68 0.00 3.58 -0.08 -0.16 116.42 119.93 2ayz h ASP 842 Ca -0.00 -0.35 0.01 0.00 0.42 0.00 0.00 57.03 57.11 2ayz h ASP 842 Cb 1.05 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 41.87 2ayz h ASP 842 CO 0.09 1.08 0.44 1.56 -2.88 0.00 0.00 179.24 179.52 2ayz h GLN 843 N 0.48 0.87 -0.19 0.28 7.50 -1.16 -1.80 115.11 121.08 2ayz h GLN 843 Ca 0.02 -0.05 -0.07 0.00 0.50 0.00 0.00 58.65 59.05 2ayz h GLN 843 Cb 1.07 -0.20 -0.01 0.00 0.05 0.00 0.00 27.48 28.39 2ayz h GLN 843 CO 0.10 0.57 -0.17 1.25 -1.50 0.00 0.00 178.83 179.08 2ayz h LEU 844 N 0.89 0.31 -1.26 1.46 5.85 -1.10 -1.91 115.31 119.55 2ayz h LEU 844 Ca 0.26 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2ayz h LEU 844 Cb -0.07 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 2ayz h LEU 844 CO -0.07 0.51 0.45 1.23 -0.34 0.00 0.00 178.44 180.22 2ayz h GLY 845 N 0.88 1.02 2.00 3.75 0.00 -0.21 -0.68 103.07 109.83 2ayz h GLY 845 Ca 0.05 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 2ayz h GLY 845 CO 0.03 0.39 -0.12 1.76 0.00 0.00 0.00 176.54 178.59 2ayz h SER 846 N 0.97 0.00 0.58 0.19 0.02 -0.75 -2.66 113.55 111.91 2ayz h SER 846 Ca 0.26 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.05 2ayz h SER 846 Cb -0.08 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 2ayz h SER 846 CO -0.05 0.12 -0.71 -0.07 -1.14 0.00 0.00 176.83 174.98 2ayz h LEU 847 N 0.00 0.13 0.00 5.07 3.38 -0.59 -3.48 115.31 119.83 2ayz h LEU 847 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2ayz h LEU 847 Cb 0.82 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2ayz h LEU 847 CO 0.02 0.80 0.00 0.61 0.09 0.00 0.00 178.44 179.96 2ayz n GLY 848 N 0.51 0.66 4.00 0.83 0.00 -0.50 -5.06 105.19 105.63 2ayz n GLY 848 Ca -0.02 -0.26 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 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 2.38 0.18 1.61 2.02 -1.23 -5.05 117.35 115.25 2ayz s TYR 849 Ca 0.00 -0.29 -0.30 0.00 -0.37 0.00 0.00 57.07 56.10 2ayz s TYR 849 Cb 0.00 -2.59 -0.08 0.00 -0.40 0.00 0.00 41.96 38.89 2ayz s TYR 849 CO 0.00 -0.93 1.31 -1.14 -1.57 0.00 0.00 175.55 173.22 2ayz s GLN 850 N -4.69 4.39 -0.31 -0.62 2.00 -0.48 -4.80 119.66 115.15 2ayz s GLN 850 Ca 0.59 2.03 -0.06 0.00 -2.00 0.00 0.00 55.36 55.91 2ayz s GLN 850 Cb -0.09 -3.21 0.02 0.00 0.80 0.00 0.00 33.01 30.53 2ayz s GLN 850 CO 0.38 -0.27 0.08 0.00 -0.50 0.00 0.00 175.29 174.98 2ayz s LYS 852 N 1.45 2.59 0.06 0.00 -0.14 -0.63 -4.99 119.74 118.08 2ayz s LYS 852 Ca 0.01 -1.15 -0.10 0.00 -1.36 0.00 0.00 55.97 53.36 2ayz s LYS 852 Cb -0.18 -3.08 -0.06 0.00 -1.68 0.00 0.00 37.83 32.83 2ayz s LYS 852 CO 0.02 -0.52 0.40 0.95 -0.76 0.00 0.00 175.35 175.43 2ayz s THR 853 N 1.27 5.09 0.26 2.17 -4.23 -1.26 -0.42 115.64 118.52 2ayz s THR 853 Ca -0.03 0.50 -0.11 0.00 -1.18 0.00 0.00 61.69 60.86 2ayz s THR 853 Cb -0.18 -3.65 -0.00 0.00 1.34 0.00 0.00 72.50 70.00 2ayz s THR 853 CO -0.03 0.34 0.48 0.00 -0.54 0.00 0.00 174.62 174.87 2ayz s ALA 854 N -1.34 -0.11 -0.40 3.99 0.00 -0.97 -4.95 121.76 117.97 2ayz s ALA 854 Ca 0.31 -0.97 0.07 0.00 0.00 0.00 0.00 51.96 51.38 2ayz s ALA 854 Cb -0.14 1.08 0.24 0.00 0.00 0.00 0.00 23.12 24.29 2ayz s ALA 854 CO 0.17 -0.84 0.52 0.27 0.00 0.00 0.00 175.76 175.88 2ayz n ASN 855 N -0.51 -0.18 0.00 0.00 6.94 -1.26 -1.03 115.26 119.22 2ayz n ASN 855 Ca -0.01 -2.68 0.00 0.00 -0.02 0.00 0.00 54.58 51.86 2ayz n ASN 855 Cb 0.62 -0.43 0.00 0.00 -2.36 0.00 0.00 39.78 37.61 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 1.66 0.00 -0.05 0.53 -0.08 -1.26 -4.68 116.55 112.67 2ayz n ASP 856 Ca 0.22 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 53.34 2ayz n ASP 856 Cb 0.53 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.93 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 0.83 1.93 0.27 0.00 -1.96 -1.97 103.07 102.17 2ayz h GLY 857 Ca 0.00 -1.05 -0.15 0.00 0.00 0.00 0.00 47.33 46.13 2ayz h GLY 857 CO 0.00 0.94 -0.70 -0.39 0.00 0.00 0.00 176.54 176.39 2ayz h VAL 858 N 0.48 1.48 -0.23 4.60 -1.51 -1.95 -2.89 116.25 116.23 2ayz h VAL 858 Ca -0.01 -2.33 -0.03 0.00 -1.23 0.00 0.00 66.70 63.10 2ayz h VAL 858 Cb 1.19 2.25 -0.01 0.00 -2.13 0.00 0.00 31.29 32.58 2ayz h VAL 858 CO 0.12 0.67 0.01 -0.78 -1.23 0.00 0.00 177.57 176.36 2ayz h ASP 859 N 0.05 0.30 0.10 4.19 3.58 -1.85 -1.18 116.42 121.61 2ayz h ASP 859 Ca -0.01 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 2ayz h ASP 859 Cb 1.24 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.21 2ayz h ASP 859 CO 0.10 0.35 -0.05 0.00 -2.88 0.00 0.00 179.24 176.76 2ayz h ALA 860 N 1.69 -0.14 0.00 -0.78 0.00 -1.14 -0.52 119.26 118.38 2ayz h ALA 860 Ca 0.08 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2ayz h ALA 860 Cb 0.21 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2ayz h ALA 860 CO 0.00 -0.51 -0.37 1.37 0.00 0.00 0.00 179.25 179.74 2ayz h LEU 861 N -0.27 0.00 0.15 0.00 8.10 -1.49 -0.04 115.31 121.76 2ayz h LEU 861 Ca -0.01 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.97 2ayz h LEU 861 Cb 0.22 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.44 2ayz h LEU 861 CO 0.02 0.37 -0.07 -1.13 -4.11 0.00 0.00 178.44 173.52 2ayz h ASN 862 N 0.00 -0.17 -0.13 0.17 -1.24 -0.95 -0.12 115.58 113.14 2ayz h ASN 862 Ca -0.00 -0.10 -0.03 0.00 0.71 0.00 0.00 56.30 56.88 2ayz h ASN 862 Cb 0.76 0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.84 2ayz h ASN 862 CO 0.05 -0.01 0.01 1.62 -1.29 0.00 0.00 177.43 177.81 2ayz h VAL 863 N -0.33 1.14 -0.17 2.57 3.04 -0.79 -1.64 116.25 120.07 2ayz h VAL 863 Ca -0.02 -0.54 -0.07 0.00 -1.01 0.00 0.00 66.70 65.06 2ayz h VAL 863 Cb 0.26 0.96 -0.01 0.00 -2.01 0.00 0.00 31.29 30.49 2ayz h VAL 863 CO 0.03 0.18 -0.19 -0.07 -1.01 0.00 0.00 177.57 176.52 2ayz h LEU 864 N 0.33 0.28 -0.72 3.16 3.38 -0.63 0.13 115.31 121.24 2ayz h LEU 864 Ca 0.08 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2ayz h LEU 864 Cb 0.21 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2ayz h LEU 864 CO 0.00 0.49 -0.59 0.28 0.09 0.00 0.00 178.44 178.72 2ayz h SER 865 N 0.27 0.00 0.96 -0.43 0.02 -0.06 -3.14 113.55 111.17 2ayz h SER 865 Ca 0.05 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 2ayz h SER 865 Cb 0.50 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 2ayz h SER 865 CO 0.03 0.59 -1.09 0.50 -1.14 0.00 0.00 176.83 175.72 2ayz h LYS 866 N 0.00 0.00 -2.88 3.45 3.11 -1.05 -3.47 116.57 115.73 2ayz h LYS 866 Ca -0.01 0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 57.70 2ayz h LYS 866 Cb 1.11 0.00 -0.24 0.00 -1.00 0.00 0.00 32.23 32.10 2ayz h LYS 866 CO 0.08 0.16 -0.29 1.21 -2.81 0.00 0.00 179.45 177.79 2ayz s ASN 867 N -5.66 -0.35 0.05 4.20 3.84 0.39 -5.09 114.94 112.31 2ayz s ASN 867 Ca -0.01 0.65 -0.14 0.00 0.21 0.00 0.00 52.86 53.57 2ayz s ASN 867 Cb 0.09 0.69 -0.05 0.00 -0.55 0.00 0.00 41.25 41.42 2ayz s ASN 867 CO 0.79 -0.16 1.23 -0.74 -2.79 0.00 0.00 177.10 175.43 2ayz h HIS 868 N 5.38 -0.67 -2.62 0.43 -0.00 -1.84 -3.35 115.15 112.48 2ayz h HIS 868 Ca -0.27 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.17 2ayz h HIS 868 Cb 1.18 0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 28.87 2ayz h HIS 868 CO 0.41 -0.23 -0.72 -0.89 -0.00 0.00 0.00 177.93 176.50 2ayz n ILE 869 N -3.74 -1.83 -0.09 6.26 -0.00 -1.26 -4.89 119.36 113.81 2ayz n ILE 869 Ca -0.03 0.97 -0.15 0.00 -0.00 0.00 0.00 62.75 63.55 2ayz n ILE 869 Cb 0.16 -1.60 -0.05 0.00 -0.00 0.00 0.00 39.64 38.14 2ayz n ILE 869 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 2ayz n ASP 870 N -2.52 1.69 -4.17 4.38 2.03 0.15 -4.96 116.55 113.15 2ayz n ASP 870 Ca -0.01 0.28 -0.28 0.00 0.52 0.00 0.00 54.79 55.30 2ayz n ASP 870 Cb 0.37 -0.66 -0.16 0.00 -0.72 0.00 0.00 41.12 39.94 2ayz n ASP 870 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ayz s ILE 871 N -2.58 1.66 -0.20 5.18 -1.09 -1.19 -4.30 121.20 118.69 2ayz s ILE 871 Ca -0.27 -0.83 -0.07 0.00 -2.23 0.00 0.00 60.65 57.26 2ayz s ILE 871 Cb 0.07 -1.44 -0.04 0.00 -1.58 0.00 0.00 42.46 39.48 2ayz s ILE 871 CO 0.37 0.47 0.05 -0.69 -1.23 0.00 0.00 174.94 173.91 2ayz s VAL 872 N 0.16 4.50 -0.37 2.92 1.01 -1.11 -0.89 120.40 126.63 2ayz s VAL 872 Ca -0.09 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 61.79 2ayz s VAL 872 Cb -0.14 -3.04 0.10 0.00 0.00 0.00 0.00 36.38 33.30 2ayz s VAL 872 CO 0.04 0.43 0.09 -0.76 0.00 0.00 0.00 175.10 174.91 2ayz s LEU 873 N 0.72 4.80 -0.69 3.92 1.43 -0.04 -0.69 118.68 128.13 2ayz s LEU 873 Ca 0.02 -2.23 -0.18 0.00 -1.03 0.00 0.00 54.13 50.71 2ayz s LEU 873 Cb -0.14 -1.66 0.12 0.00 0.03 0.00 0.00 46.19 44.55 2ayz s LEU 873 CO 0.02 -0.39 0.80 -0.94 0.23 0.00 0.00 176.35 176.07 2ayz s SER 874 N 0.91 6.35 -0.17 2.29 1.04 -0.07 -0.65 113.70 123.40 2ayz s SER 874 Ca 0.11 -1.72 -0.12 0.00 0.48 0.00 0.00 55.95 54.70 2ayz s SER 874 Cb -0.20 -2.31 -0.05 0.00 0.10 0.00 0.00 66.02 63.56 2ayz s SER 874 CO -0.07 -1.04 0.24 -1.81 0.98 0.00 0.00 173.24 171.54 2ayz s ASP 875 N 3.41 6.37 -0.21 7.02 1.11 -0.03 -1.99 116.67 132.34 2ayz s ASP 875 Ca 0.16 0.42 0.01 0.00 0.18 0.00 0.00 52.55 53.33 2ayz s ASP 875 Cb -0.18 -2.15 0.05 0.00 1.07 0.00 0.00 42.92 41.71 2ayz s ASP 875 CO 0.01 0.14 -0.09 0.68 1.18 0.00 0.00 175.17 177.10 2ayz s VAL 876 N 0.34 1.61 -1.54 -1.27 -7.23 -0.50 -2.23 120.40 109.58 2ayz s VAL 876 Ca 0.14 -1.09 0.18 0.00 -1.81 0.00 0.00 61.98 59.39 2ayz s VAL 876 Cb -0.12 -1.76 0.61 0.00 0.56 0.00 0.00 36.38 35.67 2ayz s VAL 876 CO 0.02 0.07 1.51 -3.20 -0.31 0.00 0.00 175.10 173.19 2ayz n ASN 877 N 4.67 3.93 -4.16 4.85 5.15 -1.26 -2.93 115.26 125.51 2ayz n ASN 877 Ca -0.14 -2.22 -0.31 0.00 -0.60 0.00 0.00 54.58 51.31 2ayz n ASN 877 Cb 0.46 -0.50 -0.17 0.00 -0.53 0.00 0.00 39.78 39.04 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 -1.52 2.84 -0.94 1.20 1.75 -1.26 -4.98 119.30 116.39 2ayz s MET 878 Ca 0.44 -0.79 -0.17 0.00 -1.25 0.00 0.00 55.69 53.92 2ayz s MET 878 Cb 0.26 -2.26 -0.10 0.00 2.84 0.00 0.00 34.83 35.57 2ayz s MET 878 CO 0.25 0.03 2.05 -2.30 -0.65 0.00 0.00 175.02 174.40 2ayz n PRO 879 N 3.93 1.91 -1.55 4.11 -0.02 -1.26 -4.89 135.00 137.22 2ayz n PRO 879 Ca -0.20 -1.91 -0.30 0.00 -2.02 0.00 0.00 63.50 59.07 2ayz n PRO 879 Cb 0.52 -2.89 0.08 0.00 -0.02 0.00 0.00 33.50 31.20 2ayz n PRO 879 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2ayz s ASN 880 N 4.31 4.61 0.13 2.55 2.47 -1.26 -4.99 114.94 122.77 2ayz s ASN 880 Ca 0.53 1.35 -0.07 0.00 0.42 0.00 0.00 52.86 55.09 2ayz s ASN 880 Cb 0.14 -2.11 -0.07 0.00 -1.45 0.00 0.00 41.25 37.76 2ayz s ASN 880 CO 0.05 -1.90 1.35 -0.03 -3.72 0.00 0.00 177.10 172.85 2ayz h MET 881 N -1.04 0.56 -4.84 0.43 1.85 -2.06 -3.42 114.93 106.41 2ayz h MET 881 Ca -0.47 -0.50 -0.70 0.00 -0.61 0.00 0.00 59.70 57.43 2ayz h MET 881 Cb 1.26 0.12 -0.19 0.00 0.43 0.00 0.00 31.60 33.22 2ayz h MET 881 CO 0.59 1.12 -0.22 0.34 -0.40 0.00 0.00 176.91 178.34 2ayz s ASP 882 N -7.07 6.19 -0.12 1.39 2.15 -1.26 -4.85 116.67 113.10 2ayz s ASP 882 Ca -0.08 -0.69 0.14 0.00 0.43 0.00 0.00 52.55 52.36 2ayz s ASP 882 Cb 0.09 -2.22 0.28 0.00 -0.30 0.00 0.00 42.92 40.77 2ayz s ASP 882 CO 0.87 -0.58 1.14 0.61 -0.17 0.00 0.00 175.17 177.05 2ayz n GLY 883 N 5.11 3.92 1.95 2.66 0.00 -1.26 -4.84 105.19 112.72 2ayz n GLY 883 Ca -0.07 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2ayz n GLY 883 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2ayz n TYR 884 N -0.99 -1.34 0.24 1.61 4.11 -1.26 -4.73 117.16 114.79 2ayz n TYR 884 Ca 0.13 0.24 0.17 0.00 -0.00 0.00 0.00 57.90 58.44 2ayz n TYR 884 Cb 0.70 0.52 0.88 0.00 -0.00 0.00 0.00 39.34 41.44 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 -0.28 -3.48 1.12 -1.88 0.26 114.38 110.12 2ayz h ARG 885 Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 59.98 58.78 2ayz h ARG 885 Cb 0.03 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 29.97 2ayz h ARG 885 CO 0.00 0.00 -0.21 1.37 -3.11 0.00 0.00 179.97 178.02 2ayz h LEU 886 N 0.00 0.51 0.00 3.80 -0.00 -1.91 -0.43 115.31 117.28 2ayz h LEU 886 Ca 0.06 -0.16 -0.16 0.00 -0.00 0.00 0.00 57.88 57.62 2ayz h LEU 886 Cb 0.37 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 40.87 2ayz h LEU 886 CO -0.00 0.72 -0.78 0.74 -0.00 0.00 0.00 178.44 179.12 2ayz h THR 887 N 0.46 1.23 -0.52 0.15 2.02 -1.29 -2.69 112.91 112.27 2ayz h THR 887 Ca 0.07 -2.76 0.04 0.00 0.77 0.00 0.00 66.41 64.54 2ayz h THR 887 Cb 0.62 2.60 -0.04 0.00 -1.74 0.00 0.00 68.15 69.58 2ayz h THR 887 CO 0.04 0.70 0.28 -0.61 0.37 0.00 0.00 175.52 176.30 2ayz h GLN 888 N 0.00 0.52 -0.95 6.66 4.15 -0.92 0.17 115.11 124.74 2ayz h GLN 888 Ca -0.02 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 2ayz h GLN 888 Cb 1.58 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 29.10 2ayz h GLN 888 CO 0.09 0.34 0.58 -0.09 -1.93 0.00 0.00 178.83 177.82 2ayz h ARG 889 N 0.54 1.28 -0.36 1.69 1.12 -1.12 -1.49 114.38 116.05 2ayz h ARG 889 Ca 0.23 -0.11 -0.04 0.00 -1.11 0.00 0.00 59.98 58.95 2ayz h ARG 889 Cb 0.12 -0.27 -0.02 0.00 -0.01 0.00 0.00 29.97 29.79 2ayz h ARG 889 CO -0.15 0.89 0.07 0.82 -3.11 0.00 0.00 179.97 178.49 2ayz h ILE 890 N 1.31 1.18 -0.27 1.20 2.04 -0.93 -0.34 117.51 121.68 2ayz h ILE 890 Ca 0.34 -0.64 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 2ayz h ILE 890 Cb -0.06 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2ayz h ILE 890 CO -0.06 0.23 -0.04 -0.09 0.00 0.00 0.00 178.15 178.18 2ayz h ARG 891 N 0.51 0.51 0.00 2.37 2.43 0.06 -2.56 114.38 117.71 2ayz h ARG 891 Ca 0.12 -0.19 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 2ayz h ARG 891 Cb 0.23 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2ayz h ARG 891 CO -0.00 0.70 -0.15 1.96 -1.51 0.00 0.00 179.97 180.98 2ayz h GLN 892 N 0.28 0.00 0.00 0.20 4.20 -0.96 -2.00 115.11 116.82 2ayz h GLN 892 Ca 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 2ayz h GLN 892 Cb 0.50 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 2ayz h GLN 892 CO 0.02 0.15 -0.03 1.25 -0.67 0.00 0.00 178.83 179.55 2ayz h LEU 893 N 0.00 0.00 -1.58 1.46 5.85 -0.65 -3.47 115.31 116.92 2ayz h LEU 893 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2ayz h LEU 893 Cb 0.46 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.49 2ayz h LEU 893 CO 0.02 0.03 0.00 0.61 -0.34 0.00 0.00 178.44 178.76 2ayz n GLY 894 N 0.04 0.47 3.72 3.75 0.00 -0.75 -5.03 105.19 107.39 2ayz n GLY 894 Ca 0.00 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.79 5.03 -1.56 0.99 -0.00 -1.17 -4.95 117.00 114.56 2ayz n LEU 895 Ca 0.00 0.97 0.02 0.00 -0.00 0.00 0.00 56.01 57.00 2ayz n LEU 895 Cb 0.39 -1.54 0.07 0.00 -0.00 0.00 0.00 43.42 42.34 2ayz n LEU 895 CO 0.00 -0.78 0.12 0.41 -0.00 0.00 0.00 177.39 177.14 2ayz n THR 896 N -1.02 0.88 -3.72 1.47 -1.04 -1.26 -5.08 114.28 104.52 2ayz n THR 896 Ca 0.10 -2.05 -0.10 0.00 -2.04 0.00 0.00 64.05 59.96 2ayz n THR 896 Cb 0.44 0.62 -0.06 0.00 -1.82 0.00 0.00 70.33 69.52 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 -1.61 0.76 0.21 -4.42 2.34 -1.26 -5.15 118.68 109.55 2ayz s LEU 897 Ca 0.35 -0.36 -0.30 0.00 0.06 0.00 0.00 54.13 53.88 2ayz s LEU 897 Cb 0.38 1.53 -0.08 0.00 -0.56 0.00 0.00 46.19 47.45 2ayz s LEU 897 CO -0.11 -0.76 0.99 -2.84 -1.06 0.00 0.00 176.35 172.57 2ayz s PRO 898 N -3.48 4.75 -0.06 1.48 0.02 -1.26 -4.99 135.00 131.46 2ayz s PRO 898 Ca 0.01 1.57 0.05 0.00 0.02 0.00 0.00 61.00 62.65 2ayz s PRO 898 Cb 0.02 -3.28 -0.01 0.00 0.02 0.00 0.00 34.50 31.24 2ayz s PRO 898 CO -0.09 0.34 -0.22 0.08 -0.33 0.00 0.00 177.00 176.78 2ayz s VAL 899 N -0.80 2.33 -0.10 3.83 1.01 -1.09 -2.73 120.40 122.86 2ayz s VAL 899 Ca 0.44 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.49 2ayz s VAL 899 Cb -0.27 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 2ayz s VAL 899 CO 0.33 0.57 -0.21 -0.63 0.00 0.00 0.00 175.10 175.17 2ayz s ILE 900 N -0.21 2.37 -0.28 2.22 1.01 0.13 -1.82 121.20 124.61 2ayz s ILE 900 Ca -0.01 -0.92 -0.00 0.00 0.00 0.00 0.00 60.65 59.72 2ayz s ILE 900 Cb -0.13 -1.93 0.05 0.00 0.01 0.00 0.00 42.46 40.46 2ayz s ILE 900 CO 0.03 0.55 -0.04 -0.83 0.00 0.00 0.00 174.94 174.65 2ayz s GLY 901 N 0.23 1.71 -0.37 6.18 0.00 -0.02 -0.89 107.32 114.16 2ayz s GLY 901 Ca -0.13 -1.74 -0.15 0.00 0.00 0.00 0.00 44.72 42.70 2ayz s GLY 901 CO 0.07 0.65 0.32 0.14 0.00 0.00 0.00 173.10 174.28 2ayz s VAL 902 N 1.21 5.21 0.21 1.40 1.01 -0.84 -1.09 120.40 127.51 2ayz s VAL 902 Ca -0.06 -0.23 0.09 0.00 0.00 0.00 0.00 61.98 61.77 2ayz s VAL 902 Cb -0.20 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 2ayz s VAL 902 CO -0.03 -0.15 -0.06 0.42 0.00 0.00 0.00 175.10 175.28 2ayz s THR 903 N 1.87 3.30 -0.39 3.92 -4.23 -0.48 -1.42 115.64 118.22 2ayz s THR 903 Ca 0.09 -1.72 -0.06 0.00 -1.18 0.00 0.00 61.69 58.81 2ayz s THR 903 Cb -0.17 -2.68 0.08 0.00 1.34 0.00 0.00 72.50 71.07 2ayz s THR 903 CO 0.11 -0.19 0.20 0.00 -0.54 0.00 0.00 174.62 174.20 2ayz s ALA 904 N -1.90 3.17 -1.39 3.99 0.00 -1.15 -0.10 121.76 124.39 2ayz s ALA 904 Ca 0.27 -2.15 -0.08 0.00 0.00 0.00 0.00 51.96 50.00 2ayz s ALA 904 Cb -0.08 -2.46 0.04 0.00 0.00 0.00 0.00 23.12 20.61 2ayz s ALA 904 CO 0.17 -1.60 0.99 -1.71 0.00 0.00 0.00 175.76 173.60 2ayz n ASN 905 N 4.79 -4.14 -4.44 0.00 2.85 -1.26 -4.72 115.26 108.35 2ayz n ASN 905 Ca -0.09 -0.70 -0.44 0.00 -0.11 0.00 0.00 54.58 53.24 2ayz n ASN 905 Cb 0.43 -4.41 -0.02 0.00 1.24 0.00 0.00 39.78 37.01 2ayz n ASN 905 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ayz s ALA 906 N -3.39 3.48 0.00 5.20 0.00 -1.26 -4.99 121.76 120.80 2ayz s ALA 906 Ca 0.42 -2.86 -0.32 0.00 0.00 0.00 0.00 51.96 49.20 2ayz s ALA 906 Cb -0.20 -3.99 -0.10 0.00 0.00 0.00 0.00 23.12 18.82 2ayz s ALA 906 CO 0.78 -2.89 1.91 1.28 0.00 0.00 0.00 175.76 176.84 2ayz n LEU 907 N 6.20 3.85 -1.20 0.00 4.32 -1.26 -1.81 117.00 127.10 2ayz n LEU 907 Ca 0.23 0.95 -0.12 0.00 -0.02 0.00 0.00 56.01 57.05 2ayz n LEU 907 Cb 0.49 -1.47 -0.02 0.00 -1.62 0.00 0.00 43.42 40.80 2ayz n LEU 907 CO 0.49 0.09 -0.14 0.00 -1.22 0.00 0.00 177.39 176.61 2ayz n ALA 908 N 6.82 -0.29 0.22 -1.18 0.00 -1.26 -4.89 120.51 119.92 2ayz n ALA 908 Ca 0.21 0.12 0.06 0.00 0.00 0.00 0.00 53.44 53.83 2ayz n ALA 908 Cb 0.36 -1.42 0.51 0.00 0.00 0.00 0.00 19.45 18.89 2ayz n ALA 908 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2ayz h GLU 909 N 0.00 0.00 -0.72 0.00 9.09 -1.75 -1.65 114.58 119.55 2ayz h GLU 909 Ca -0.26 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.16 2ayz h GLU 909 Cb 1.08 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.14 2ayz h GLU 909 CO 0.33 0.24 0.48 0.93 0.05 0.00 0.00 179.01 181.04 2ayz h GLU 910 N 0.00 0.94 -0.08 1.06 5.08 -1.90 0.11 114.58 119.78 2ayz h GLU 910 Ca -0.00 -0.06 -0.20 0.00 -1.00 0.00 0.00 59.36 58.10 2ayz h GLU 910 Cb 0.47 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 2ayz h GLU 910 CO 0.03 0.62 -0.78 -0.22 -1.00 0.00 0.00 179.01 177.66 2ayz h LYS 911 N 0.96 0.49 0.00 2.33 3.64 -1.70 -2.54 116.57 119.75 2ayz h LYS 911 Ca 0.27 -0.42 -0.11 0.00 -1.27 0.00 0.00 60.65 59.12 2ayz h LYS 911 Cb -0.09 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 2ayz h LYS 911 CO -0.06 1.06 -0.51 1.96 -2.27 0.00 0.00 179.45 179.62 2ayz h GLN 912 N 0.32 0.00 -0.41 1.90 7.50 -1.07 -1.79 115.11 121.56 2ayz h GLN 912 Ca -0.04 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.06 2ayz h GLN 912 Cb 1.38 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.89 2ayz h GLN 912 CO 0.14 0.51 0.08 -0.09 -1.50 0.00 0.00 178.83 177.97 2ayz h ARG 913 N 0.00 0.62 0.00 1.46 1.12 -0.65 0.09 114.38 117.02 2ayz h ARG 913 Ca -0.01 -0.12 -0.06 0.00 -1.11 0.00 0.00 59.98 58.68 2ayz h ARG 913 Cb 0.95 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.80 2ayz h ARG 913 CO 0.07 0.59 -0.31 0.00 -3.11 0.00 0.00 179.97 177.21 2ayz h LEU 915 N 0.00 -0.07 0.09 0.00 6.46 -0.24 -3.36 115.31 118.19 2ayz h LEU 915 Ca -0.00 -0.50 -0.22 0.00 -0.12 0.00 0.00 57.88 57.04 2ayz h LEU 915 Cb 0.71 0.02 0.02 0.00 -0.73 0.00 0.00 40.66 40.68 2ayz h LEU 915 CO 0.04 0.49 -0.91 1.05 -0.62 0.00 0.00 178.44 178.49 2ayz h GLU 916 N -0.68 0.46 -6.20 1.25 -0.00 -1.12 -3.48 114.58 104.81 2ayz h GLU 916 Ca -0.01 -0.62 -0.44 0.00 -0.00 0.00 0.00 59.36 58.30 2ayz h GLU 916 Cb 0.57 0.20 0.03 0.00 -0.00 0.00 0.00 28.75 29.55 2ayz h GLU 916 CO 0.01 1.25 -0.85 0.43 -0.00 0.00 0.00 179.01 179.86 2ayz n SER 917 N -4.03 -1.11 0.00 3.06 7.64 -0.01 -4.41 113.62 114.76 2ayz n SER 917 Ca -0.13 -0.88 0.00 0.00 1.01 0.00 0.00 58.87 58.87 2ayz n SER 917 Cb 0.84 -3.76 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 -1.69 0.77 0.00 0.23 0.00 -1.26 -4.88 105.19 98.36 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 -0.13 0.00 0.00 0.00 173.32 173.19 2ayz n MET 919 N -0.45 0.00 0.00 1.61 1.56 -1.26 -4.40 117.12 114.18 2ayz n MET 919 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 2ayz n MET 919 Cb 0.02 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.39 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 -4.06 6.12 2.03 -0.76 -2.67 116.55 117.21 2ayz n ASP 920 Ca 0.00 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.11 2ayz n ASP 920 Cb 0.00 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.25 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 1.31 -0.08 1.67 0.01 -1.10 -5.06 113.70 110.44 2ayz s SER 921 Ca 0.00 -0.23 0.04 0.00 1.31 0.00 0.00 55.95 57.07 2ayz s SER 921 Cb 0.00 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.10 2ayz s SER 921 CO 0.00 0.12 -0.20 0.00 0.41 0.00 0.00 173.24 173.57 2ayz s LEU 923 N 0.39 2.35 -0.08 0.00 1.43 -0.25 -4.96 118.68 117.56 2ayz s LEU 923 Ca -0.16 -1.61 -0.10 0.00 -1.03 0.00 0.00 54.13 51.23 2ayz s LEU 923 Cb -0.17 -0.71 -0.05 0.00 0.03 0.00 0.00 46.19 45.30 2ayz s LEU 923 CO 0.07 -0.80 0.23 -0.94 0.23 0.00 0.00 176.35 175.14 2ayz s SER 924 N -3.83 6.53 0.32 2.29 1.04 -1.26 -1.38 113.70 117.41 2ayz s SER 924 Ca 0.11 0.63 0.09 0.00 0.48 0.00 0.00 55.95 57.27 2ayz s SER 924 Cb 0.03 -2.13 0.87 0.00 0.10 0.00 0.00 66.02 64.88 2ayz s SER 924 CO 0.06 0.37 1.75 0.50 0.98 0.00 0.00 173.24 176.90 2ayz h LYS 925 N 4.95 0.60 -3.49 4.02 1.63 -0.78 -2.79 116.57 120.70 2ayz h LYS 925 Ca -0.53 -0.04 -0.31 0.00 -0.85 0.00 0.00 60.65 58.92 2ayz h LYS 925 Cb 1.22 -0.14 0.01 0.00 -0.60 0.00 0.00 32.23 32.73 2ayz h LYS 925 CO 0.60 0.40 2.26 -0.35 -3.45 0.00 0.00 179.45 178.90 2ayz n PRO 926 N -4.82 1.71 -1.95 1.90 -0.04 -1.26 -4.91 135.00 125.62 2ayz n PRO 926 Ca 0.26 -1.27 -0.29 0.00 -0.04 0.00 0.00 63.50 62.16 2ayz n PRO 926 Cb 0.71 -2.35 0.06 0.00 -0.04 0.00 0.00 33.50 31.88 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 3.60 2.94 0.27 0.52 -7.23 -1.06 -5.11 120.40 114.35 2ayz s VAL 927 Ca 0.33 0.24 0.02 0.00 -1.81 0.00 0.00 61.98 60.75 2ayz s VAL 927 Cb 0.09 -3.29 -0.04 0.00 0.56 0.00 0.00 36.38 33.69 2ayz s VAL 927 CO -0.03 -0.37 0.13 0.42 -0.31 0.00 0.00 175.10 174.94 2ayz s THR 928 N -3.39 0.40 0.15 5.32 -4.23 -1.26 -5.03 115.64 107.60 2ayz s THR 928 Ca 0.59 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.93 2ayz s THR 928 Cb -0.11 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.16 2ayz s THR 928 CO 0.50 0.00 1.80 0.25 -0.54 0.00 0.00 174.62 176.63 2ayz h LEU 929 N 2.33 0.43 -0.42 4.79 7.12 -1.99 -0.24 115.31 127.34 2ayz h LEU 929 Ca -0.36 -0.02 -0.11 0.00 0.13 0.00 0.00 57.88 57.52 2ayz h LEU 929 Cb 1.25 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 41.26 2ayz h LEU 929 CO 0.56 0.32 -0.18 -0.78 -0.13 0.00 0.00 178.44 178.23 2ayz h ASP 930 N 0.50 0.88 -0.19 1.25 3.58 -1.98 0.11 116.42 120.58 2ayz h ASP 930 Ca 0.14 -0.40 -0.00 0.00 0.42 0.00 0.00 57.03 57.19 2ayz h ASP 930 Cb -0.05 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.75 2ayz h ASP 930 CO -0.03 1.08 0.12 0.58 -2.88 0.00 0.00 179.24 178.11 2ayz h VAL 931 N 0.68 1.08 0.00 2.25 2.07 -1.92 -1.12 116.25 119.28 2ayz h VAL 931 Ca 0.10 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 2ayz h VAL 931 Cb 0.74 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 2ayz h VAL 931 CO 0.06 0.07 -0.17 -0.29 0.02 0.00 0.00 177.57 177.26 2ayz h ILE 932 N 0.24 0.58 -0.43 4.57 2.10 -0.96 -2.46 117.51 121.14 2ayz h ILE 932 Ca 0.07 -0.77 -0.14 0.00 1.08 0.00 0.00 64.86 65.10 2ayz h ILE 932 Cb 0.02 1.50 -0.01 0.00 -1.09 0.00 0.00 36.82 37.24 2ayz h ILE 932 CO -0.01 0.16 -0.29 0.50 -1.08 0.00 0.00 178.15 177.43 2ayz h LYS 933 N 0.00 0.96 -0.03 2.19 3.11 0.07 0.53 116.57 123.40 2ayz h LYS 933 Ca -0.00 -0.45 -0.00 0.00 -2.81 0.00 0.00 60.65 57.39 2ayz h LYS 933 Cb 0.49 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.71 2ayz h LYS 933 CO 0.02 1.12 0.02 1.96 -2.81 0.00 0.00 179.45 179.75 2ayz h GLN 934 N 0.79 0.04 -0.36 1.90 4.20 -0.78 0.27 115.11 121.17 2ayz h GLN 934 Ca 0.09 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 2ayz h GLN 934 Cb 0.87 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.63 2ayz h GLN 934 CO 0.08 0.09 0.17 1.15 -0.67 0.00 0.00 178.83 179.65 2ayz h THR 935 N -0.03 1.17 -0.06 -0.54 2.02 -1.43 -1.53 112.91 112.52 2ayz h THR 935 Ca 0.01 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 2ayz h THR 935 Cb 0.06 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 67.30 2ayz h THR 935 CO -0.00 0.18 0.02 -0.07 0.37 0.00 0.00 175.52 176.02 2ayz h LEU 936 N 0.45 0.09 -0.70 2.58 -0.00 -0.80 -0.91 115.31 116.02 2ayz h LEU 936 Ca 0.12 -0.21 -0.08 0.00 -0.00 0.00 0.00 57.88 57.71 2ayz h LEU 936 Cb 0.13 -0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 40.74 2ayz h LEU 936 CO -0.01 0.28 0.10 0.74 -0.00 0.00 0.00 178.44 179.55 2ayz h THR 937 N -0.11 1.26 -0.27 0.22 2.02 -0.90 0.15 112.91 115.28 2ayz h THR 937 Ca 0.02 -1.04 -0.17 0.00 0.77 0.00 0.00 66.41 65.99 2ayz h THR 937 Cb 0.22 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 2ayz h THR 937 CO -0.00 0.39 -0.49 0.25 0.37 0.00 0.00 175.52 176.04 2ayz h LEU 938 N 1.03 0.83 -0.48 2.58 5.85 -1.24 -2.21 115.31 121.68 2ayz h LEU 938 Ca 0.20 -0.42 -0.17 0.00 0.84 0.00 0.00 57.88 58.34 2ayz h LEU 938 Cb 0.45 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 2ayz h LEU 938 CO 0.01 1.18 -0.58 1.88 -0.34 0.00 0.00 178.44 180.59 2ayz h TYR 939 N 0.59 0.71 -0.43 1.25 -1.99 -0.92 -2.41 116.97 113.78 2ayz h TYR 939 Ca 0.03 -0.26 -0.05 0.00 2.00 0.00 0.00 58.73 60.45 2ayz h TYR 939 Cb 1.06 -0.13 -0.02 0.00 2.00 0.00 0.00 36.73 39.64 2ayz h TYR 939 CO 0.06 1.01 0.07 0.00 -0.00 0.00 0.00 178.16 179.30 2ayz h ALA 940 N 0.93 1.33 -0.12 3.88 0.00 -0.62 -1.10 119.26 123.56 2ayz h ALA 940 Ca 0.00 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 2ayz h ALA 940 Cb 1.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2ayz h ALA 940 CO 0.11 0.47 -0.54 1.05 0.00 0.00 0.00 179.25 180.34 2ayz h GLU 941 N 0.63 0.36 -0.17 0.00 4.11 -1.24 0.30 114.58 118.56 2ayz h GLU 941 Ca 0.14 -0.22 -0.03 0.00 0.07 0.00 0.00 59.36 59.32 2ayz h GLU 941 Cb 0.29 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2ayz h GLU 941 CO 0.00 0.81 0.01 -0.09 0.07 0.00 0.00 179.01 179.81 2ayz h ARG 942 N 0.28 0.30 -0.00 1.06 9.65 -0.86 0.34 114.38 125.14 2ayz h ARG 942 Ca 0.00 -0.09 -0.12 0.00 -1.10 0.00 0.00 59.98 58.67 2ayz h ARG 942 Cb 1.04 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.58 2ayz h ARG 942 CO 0.09 0.50 -0.58 -0.39 2.80 0.00 0.00 179.97 182.39 2ayz h VAL 943 N 0.05 1.42 0.04 0.20 -1.51 -1.22 -1.89 116.25 113.35 2ayz h VAL 943 Ca 0.05 -1.99 -0.00 0.00 -1.23 0.00 0.00 66.70 63.52 2ayz h VAL 943 Cb 0.36 2.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.60 2ayz h VAL 943 CO 0.01 0.57 -0.02 -0.09 -1.23 0.00 0.00 177.57 176.81 2ayz h ARG 944 N 0.00 -0.06 -0.65 5.19 9.65 -0.65 -0.15 114.38 127.72 2ayz h ARG 944 Ca -0.01 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.80 2ayz h ARG 944 Cb 1.03 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.60 2ayz h ARG 944 CO 0.08 0.10 0.10 0.87 2.80 0.00 0.00 179.97 183.91 2ayz h LYS 945 N -0.20 1.06 0.00 0.20 1.57 -0.87 0.60 116.57 118.92 2ayz h LYS 945 Ca -0.01 -0.28 -0.07 0.00 -1.87 0.00 0.00 60.65 58.43 2ayz h LYS 945 Cb 0.18 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2ayz h LYS 945 CO 0.01 0.98 -0.32 0.77 -0.57 0.00 0.00 179.45 180.31 2ayz h SER 946 N 1.00 0.00 0.00 0.86 0.02 -1.24 -3.33 113.55 110.86 2ayz h SER 946 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2ayz h SER 946 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2ayz h SER 946 CO 0.01 0.32 -0.29 -0.09 -1.14 0.00 0.00 176.83 175.65 2ayz h ARG 947 N 0.00 0.00 0.00 3.45 9.65 -0.69 -3.51 114.38 123.28 2ayz h ARG 947 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2ayz h ARG 947 Cb 0.87 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.45 2ayz h ARG 947 CO 0.04 0.00 0.00 -3.47 2.80 0.00 0.00 179.97 179.34 2ayz n ASP 948 N -4.21 0.00 0.00 -3.80 2.03 0.17 -5.09 116.55 105.65 2ayz n ASP 948 Ca -0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 2ayz n ASP 948 Cb 0.15 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 2ayz n ASP 948 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08