#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 -0.46 -0.28 3.14 0.00 -1.26 -5.16 121.76 117.74 2ayz s ALA 818 Ca 0.00 -0.15 -0.19 0.00 0.00 0.00 0.00 51.96 51.62 2ayz s ALA 818 Cb 0.00 0.24 0.10 0.00 0.00 0.00 0.00 23.12 23.47 2ayz s ALA 818 CO 0.00 -0.34 0.83 0.54 0.00 0.00 0.00 175.76 176.79 2ayz s VAL 819 N -2.29 0.00 0.13 0.00 0.11 -1.26 -5.17 120.40 111.93 2ayz s VAL 819 Ca -0.07 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.00 2ayz s VAL 819 Cb -0.02 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 2ayz s VAL 819 CO -0.02 0.00 0.24 -0.44 -3.33 0.00 0.00 175.10 171.55 2ayz s SER 820 N 1.11 6.20 0.00 3.54 0.01 -1.26 -5.12 113.70 118.19 2ayz s SER 820 Ca -0.06 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.34 2ayz s SER 820 Cb -0.05 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.35 2ayz s SER 820 CO -0.13 0.08 0.00 0.47 0.41 0.00 0.00 173.24 174.07 2ayz n ASP 821 N -0.35 1.68 -1.81 2.44 8.00 -1.26 -5.06 116.55 120.19 2ayz n ASP 821 Ca -0.07 -0.76 -0.01 0.00 0.71 0.00 0.00 54.79 54.67 2ayz n ASP 821 Cb 0.54 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.63 2ayz n ASP 821 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2ayz n ASN 822 N -1.00 -2.81 -3.50 -2.24 5.03 -1.26 -4.88 115.26 104.60 2ayz n ASN 822 Ca 0.00 0.37 -0.40 0.00 0.87 0.00 0.00 54.58 55.42 2ayz n ASN 822 Cb 0.00 -2.14 -0.01 0.00 -1.02 0.00 0.00 39.78 36.61 2ayz n ASN 822 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 2ayz n ASP 823 N 0.29 7.08 -3.26 6.41 5.75 -1.26 -4.86 116.55 126.70 2ayz n ASP 823 Ca -0.04 -2.81 -0.35 0.00 -0.01 0.00 0.00 54.79 51.57 2ayz n ASP 823 Cb 0.07 -1.53 -0.03 0.00 -1.03 0.00 0.00 41.12 38.59 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 3.81 8.05 -4.57 -1.12 2.03 -1.26 -4.79 116.55 118.70 2ayz n ASP 824 Ca 0.65 -2.52 -0.42 0.00 0.52 0.00 0.00 54.79 53.02 2ayz n ASP 824 Cb 0.29 -1.48 -0.03 0.00 -0.72 0.00 0.00 41.12 39.18 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 2.35 3.43 -0.36 -0.67 1.75 -1.26 -4.97 119.30 119.58 2ayz s MET 825 Ca 0.65 0.19 -0.19 0.00 -1.25 0.00 0.00 55.69 55.09 2ayz s MET 825 Cb 0.17 -4.06 0.00 0.00 2.84 0.00 0.00 34.83 33.78 2ayz s MET 825 CO -0.05 -1.80 0.54 1.41 -0.65 0.00 0.00 175.02 174.47 2ayz s MET 826 N 5.17 3.59 -0.13 4.11 1.75 -1.26 -1.04 119.30 131.49 2ayz s MET 826 Ca 0.43 -0.16 -0.01 0.00 -1.25 0.00 0.00 55.69 54.70 2ayz s MET 826 Cb -0.08 -3.82 -0.02 0.00 2.84 0.00 0.00 34.83 33.75 2ayz s MET 826 CO 0.24 -0.69 -0.10 0.42 -0.65 0.00 0.00 175.02 174.23 2ayz s ILE 827 N 2.47 3.34 -0.29 10.11 -1.09 0.18 -0.72 121.20 135.20 2ayz s ILE 827 Ca 0.20 -0.57 -0.10 0.00 -2.23 0.00 0.00 60.65 57.95 2ayz s ILE 827 Cb -0.15 -2.41 -0.03 0.00 -1.58 0.00 0.00 42.46 38.28 2ayz s ILE 827 CO 0.14 0.52 0.16 -0.22 -1.23 0.00 0.00 174.94 174.32 2ayz s LEU 828 N 0.22 3.99 -0.25 2.97 2.96 0.12 -1.66 118.68 127.02 2ayz s LEU 828 Ca -0.06 -0.22 -0.04 0.00 -0.22 0.00 0.00 54.13 53.59 2ayz s LEU 828 Cb -0.15 -2.06 0.01 0.00 0.50 0.00 0.00 46.19 44.49 2ayz s LEU 828 CO 0.04 -0.10 -0.02 0.54 -1.32 0.00 0.00 176.35 175.48 2ayz s VAL 829 N 1.69 3.29 -0.01 1.68 0.11 0.24 -0.92 120.40 126.49 2ayz s VAL 829 Ca 0.06 -0.75 0.07 0.00 -2.93 0.00 0.00 61.98 58.43 2ayz s VAL 829 Cb -0.16 -2.61 -0.02 0.00 -1.53 0.00 0.00 36.38 32.06 2ayz s VAL 829 CO 0.08 0.26 -0.22 0.68 -3.33 0.00 0.00 175.10 172.57 2ayz s VAL 830 N 1.42 1.75 -0.07 2.04 -7.23 -0.69 -0.86 120.40 116.76 2ayz s VAL 830 Ca 0.03 -1.00 -0.04 0.00 -1.81 0.00 0.00 61.98 59.17 2ayz s VAL 830 Cb -0.16 -1.46 0.04 0.00 0.56 0.00 0.00 36.38 35.35 2ayz s VAL 830 CO -0.03 0.45 0.16 -0.62 -0.31 0.00 0.00 175.10 174.75 2ayz s ASP 831 N -0.64 -0.14 0.00 4.85 2.15 -0.98 -0.69 116.67 121.22 2ayz s ASP 831 Ca 0.09 0.33 0.00 0.00 0.43 0.00 0.00 52.55 53.39 2ayz s ASP 831 Cb -0.09 0.23 0.00 0.00 -0.30 0.00 0.00 42.92 42.77 2ayz s ASP 831 CO -0.00 -0.13 0.41 -0.67 -0.17 0.00 0.00 175.17 174.60 2ayz n ASP 832 N 4.00 0.90 -4.08 -0.34 2.03 -1.10 -4.40 116.55 113.56 2ayz n ASP 832 Ca -0.24 -1.49 -0.08 0.00 0.52 0.00 0.00 54.79 53.50 2ayz n ASP 832 Cb 0.53 -0.37 -0.10 0.00 -0.72 0.00 0.00 41.12 40.46 2ayz n ASP 832 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2ayz s HIS 833 N -0.87 0.59 -0.01 -0.67 0.09 -1.26 -5.02 115.29 108.14 2ayz s HIS 833 Ca 0.00 -1.07 0.11 0.00 -0.00 0.00 0.00 55.06 54.10 2ayz s HIS 833 Cb 0.00 -0.38 -0.11 0.00 -0.00 0.00 0.00 32.58 32.09 2ayz s HIS 833 CO 0.00 -0.45 1.24 -1.35 -0.00 0.00 0.00 174.74 174.18 2ayz h PRO 834 N 3.00 0.00 -0.03 8.40 0.11 -1.99 -3.20 132.00 138.28 2ayz h PRO 834 Ca -0.34 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.75 2ayz h PRO 834 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2ayz h PRO 834 CO 0.62 0.72 -0.06 0.97 -0.21 0.00 0.00 178.00 180.04 2ayz h ILE 835 N 0.00 1.42 0.00 4.15 6.09 -1.97 -2.44 117.51 124.77 2ayz h ILE 835 Ca -0.05 -1.35 -0.15 0.00 -1.37 0.00 0.00 64.86 61.94 2ayz h ILE 835 Cb 1.64 2.25 -0.02 0.00 0.47 0.00 0.00 36.82 41.16 2ayz h ILE 835 CO 0.10 0.36 -0.95 -1.13 -3.07 0.00 0.00 178.15 173.45 2ayz h ASN 836 N -0.41 0.00 -0.47 2.19 -1.24 -1.96 -2.57 115.58 111.12 2ayz h ASN 836 Ca 0.00 0.00 0.08 0.00 0.71 0.00 0.00 56.30 57.09 2ayz h ASN 836 Cb 0.62 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.60 2ayz h ASN 836 CO 0.01 0.64 0.08 -0.09 -1.29 0.00 0.00 177.43 176.78 2ayz h ARG 837 N 0.00 0.21 -0.00 6.67 2.43 -1.60 0.13 114.38 122.21 2ayz h ARG 837 Ca -0.07 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2ayz h ARG 837 Cb 1.55 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 31.05 2ayz h ARG 837 CO 0.07 0.14 0.00 -0.09 -1.51 0.00 0.00 179.97 178.58 2ayz h ARG 838 N 0.21 0.00 -0.36 0.20 1.12 -1.37 -2.68 114.38 111.51 2ayz h ARG 838 Ca 0.23 -0.00 -0.15 0.00 -1.11 0.00 0.00 59.98 58.95 2ayz h ARG 838 Cb 0.31 -0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.27 2ayz h ARG 838 CO -0.32 0.20 -0.38 1.25 -3.11 0.00 0.00 179.97 177.61 2ayz h LEU 839 N -0.19 0.95 -0.52 3.80 6.46 -1.10 0.77 115.31 125.48 2ayz h LEU 839 Ca 0.00 -0.47 -0.16 0.00 -0.12 0.00 0.00 57.88 57.13 2ayz h LEU 839 Cb 0.19 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.85 2ayz h LEU 839 CO -0.00 1.23 -0.54 0.25 -0.62 0.00 0.00 178.44 178.76 2ayz h LEU 840 N 0.70 0.62 -0.86 2.25 5.85 -0.85 -0.54 115.31 122.47 2ayz h LEU 840 Ca 0.06 -0.33 -0.12 0.00 0.84 0.00 0.00 57.88 58.33 2ayz h LEU 840 Cb 0.97 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 2ayz h LEU 840 CO 0.09 1.04 -0.43 0.00 -0.34 0.00 0.00 178.44 178.80 2ayz h ALA 841 N 0.97 1.03 0.61 1.25 0.00 -1.30 -0.49 119.26 121.33 2ayz h ALA 841 Ca 0.01 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 2ayz h ALA 841 Cb 1.09 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.79 2ayz h ALA 841 CO 0.10 0.62 -0.29 0.22 0.00 0.00 0.00 179.25 179.90 2ayz h ASP 842 N 0.24 -0.69 -0.64 0.00 1.82 -0.44 0.15 116.42 116.87 2ayz h ASP 842 Ca 0.02 0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.63 2ayz h ASP 842 Cb 0.87 0.18 -0.03 0.00 0.68 0.00 0.00 39.33 41.03 2ayz h ASP 842 CO 0.07 -0.47 0.26 1.56 -1.61 0.00 0.00 179.24 179.05 2ayz h GLN 843 N -0.86 0.98 -0.26 0.28 7.50 -1.05 -1.33 115.11 120.36 2ayz h GLN 843 Ca -0.08 -0.16 -0.07 0.00 0.50 0.00 0.00 58.65 58.84 2ayz h GLN 843 Cb 0.64 -0.17 -0.02 0.00 0.05 0.00 0.00 27.48 27.99 2ayz h GLN 843 CO 0.14 0.80 -0.13 1.25 -1.50 0.00 0.00 178.83 179.39 2ayz h LEU 844 N 0.96 0.43 -0.78 1.46 5.85 -1.03 -1.59 115.31 120.60 2ayz h LEU 844 Ca 0.22 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 2ayz h LEU 844 Cb 0.19 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2ayz h LEU 844 CO -0.02 0.59 0.02 1.23 -0.34 0.00 0.00 178.44 179.92 2ayz h GLY 845 N 0.90 1.02 2.00 3.75 0.00 0.12 -2.48 103.07 108.38 2ayz h GLY 845 Ca 0.08 -0.70 -0.09 0.00 0.00 0.00 0.00 47.33 46.61 2ayz h GLY 845 CO 0.03 0.65 -0.44 1.76 0.00 0.00 0.00 176.54 178.54 2ayz h SER 846 N 0.87 0.00 0.11 0.19 0.02 -0.89 -2.51 113.55 111.35 2ayz h SER 846 Ca 0.16 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 2ayz h SER 846 Cb 0.49 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 2ayz h SER 846 CO 0.02 0.44 -0.14 -0.07 -1.14 0.00 0.00 176.83 175.94 2ayz h LEU 847 N 0.00 0.07 -0.13 5.07 -0.00 -0.84 -3.47 115.31 116.01 2ayz h LEU 847 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 2ayz h LEU 847 Cb 0.81 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.45 2ayz h LEU 847 CO 0.06 0.23 0.00 0.61 -0.00 0.00 0.00 178.44 179.34 2ayz n GLY 848 N -1.02 0.96 3.68 0.83 0.00 -0.94 -5.08 105.19 103.62 2ayz n GLY 848 Ca -0.02 -0.54 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.13 2.63 -0.10 1.61 2.02 -1.23 -4.97 117.35 115.18 2ayz s TYR 849 Ca 0.00 -0.41 -0.29 0.00 -0.37 0.00 0.00 57.07 56.00 2ayz s TYR 849 Cb 0.00 -1.56 -0.05 0.00 -0.40 0.00 0.00 41.96 39.95 2ayz s TYR 849 CO 0.00 0.41 1.69 -0.65 -1.57 0.00 0.00 175.55 175.43 2ayz s GLN 850 N -3.78 4.02 -0.30 -0.62 -0.21 -0.20 -4.74 119.66 113.83 2ayz s GLN 850 Ca 0.36 2.05 -0.11 0.00 0.02 0.00 0.00 55.36 57.68 2ayz s GLN 850 Cb -0.01 -4.03 -0.04 0.00 1.00 0.00 0.00 33.01 29.93 2ayz s GLN 850 CO 0.21 -1.04 0.20 0.00 -2.12 0.00 0.00 175.29 172.54 2ayz s LYS 852 N 1.73 2.19 -0.02 0.00 3.01 -0.67 -5.01 119.74 120.98 2ayz s LYS 852 Ca 0.07 -1.24 -0.09 0.00 -1.01 0.00 0.00 55.97 53.70 2ayz s LYS 852 Cb -0.16 -2.80 -0.05 0.00 -1.01 0.00 0.00 37.83 33.81 2ayz s LYS 852 CO 0.10 -0.54 0.29 0.99 0.51 0.00 0.00 175.35 176.70 2ayz s THR 853 N 1.17 5.25 0.00 2.17 2.01 -1.26 -0.59 115.64 124.39 2ayz s THR 853 Ca -0.07 0.41 0.00 0.00 0.31 0.00 0.00 61.69 62.34 2ayz s THR 853 Cb -0.19 -3.58 0.00 0.00 0.01 0.00 0.00 72.50 68.74 2ayz s THR 853 CO -0.06 0.48 0.00 0.00 -0.69 0.00 0.00 174.62 174.36 2ayz n ALA 854 N 1.52 0.00 -2.83 7.40 0.00 -0.04 -4.95 120.51 121.61 2ayz n ALA 854 Ca -0.14 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.21 2ayz n ALA 854 Cb 0.53 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.00 2ayz n ALA 854 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2ayz n ASN 855 N -1.66 -2.67 0.00 0.00 6.94 -1.26 -2.33 115.26 114.28 2ayz n ASN 855 Ca 0.00 -3.08 0.00 0.00 -0.02 0.00 0.00 54.58 51.48 2ayz n ASN 855 Cb 0.00 1.45 0.00 0.00 -2.36 0.00 0.00 39.78 38.87 2ayz n ASN 855 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2ayz n ASP 856 N 2.09 0.00 -0.00 0.53 2.03 -1.26 -4.66 116.55 115.28 2ayz n ASP 856 Ca 0.14 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.30 2ayz n ASP 856 Cb 0.59 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.96 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 0.75 1.86 0.27 0.00 -1.95 -1.89 103.07 102.11 2ayz h GLY 857 Ca 0.00 -1.04 -0.16 0.00 0.00 0.00 0.00 47.33 46.13 2ayz h GLY 857 CO 0.00 0.93 -0.72 -2.08 0.00 0.00 0.00 176.54 174.66 2ayz h VAL 858 N 0.47 1.46 0.00 4.60 2.07 -1.96 -2.72 116.25 120.17 2ayz h VAL 858 Ca -0.04 -2.33 -0.06 0.00 0.82 0.00 0.00 66.70 65.09 2ayz h VAL 858 Cb 1.35 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 33.37 2ayz h VAL 858 CO 0.15 0.68 -0.27 0.44 0.02 0.00 0.00 177.57 178.58 2ayz h ASP 859 N 0.09 0.00 0.24 0.57 3.32 -1.90 0.12 116.42 118.85 2ayz h ASP 859 Ca -0.02 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 2ayz h ASP 859 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2ayz h ASP 859 CO 0.10 0.27 -0.11 0.00 -1.72 0.00 0.00 179.24 177.79 2ayz h ALA 860 N 1.73 -0.32 0.00 3.45 0.00 -1.02 0.72 119.26 123.82 2ayz h ALA 860 Ca -0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 2ayz h ALA 860 Cb 0.57 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2ayz h ALA 860 CO 0.04 -0.63 -0.51 1.37 0.00 0.00 0.00 179.25 179.52 2ayz h LEU 861 N -0.42 0.00 -0.48 0.00 8.10 -1.41 -1.55 115.31 119.56 2ayz h LEU 861 Ca -0.03 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.94 2ayz h LEU 861 Cb 0.32 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.51 2ayz h LEU 861 CO 0.05 0.51 0.24 -1.13 -4.11 0.00 0.00 178.44 174.01 2ayz h ASN 862 N 0.00 0.62 -0.02 0.17 -1.24 -0.85 -1.55 115.58 112.70 2ayz h ASN 862 Ca -0.01 -0.12 -0.06 0.00 0.71 0.00 0.00 56.30 56.83 2ayz h ASN 862 Cb 1.03 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.91 2ayz h ASN 862 CO 0.07 0.57 -0.13 0.58 -1.29 0.00 0.00 177.43 177.22 2ayz h VAL 863 N 0.64 1.20 -0.58 2.57 2.07 -0.47 0.14 116.25 121.81 2ayz h VAL 863 Ca 0.17 -0.87 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 2ayz h VAL 863 Cb 0.10 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 2ayz h VAL 863 CO -0.02 0.27 0.16 0.25 0.02 0.00 0.00 177.57 178.25 2ayz h LEU 864 N 0.30 0.82 0.00 2.57 7.12 -0.73 0.43 115.31 125.82 2ayz h LEU 864 Ca 0.06 -0.15 0.00 0.00 0.13 0.00 0.00 57.88 57.92 2ayz h LEU 864 Cb 0.41 -0.22 0.00 0.00 -0.53 0.00 0.00 40.66 40.33 2ayz h LEU 864 CO 0.02 0.80 -0.09 0.28 -0.13 0.00 0.00 178.44 179.32 2ayz h SER 865 N 0.85 0.00 0.02 1.25 0.02 -0.50 -3.30 113.55 111.90 2ayz h SER 865 Ca 0.19 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 2ayz h SER 865 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2ayz h SER 865 CO -0.00 0.00 -0.20 0.50 -1.14 0.00 0.00 176.83 175.98 2ayz h LYS 866 N 0.00 0.10 0.00 3.45 1.63 -0.31 -3.48 116.57 117.96 2ayz h LYS 866 Ca 0.00 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 2ayz h LYS 866 Cb 0.96 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.63 2ayz h LYS 866 CO 0.00 0.97 0.00 -1.71 -3.45 0.00 0.00 179.45 175.26 2ayz n ASN 867 N -4.52 0.00 -3.64 4.20 5.15 0.08 -5.08 115.26 111.44 2ayz n ASN 867 Ca -0.10 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 53.85 2ayz n ASN 867 Cb 0.52 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.72 2ayz n ASN 867 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 2ayz s HIS 868 N 1.48 -0.07 -0.04 1.20 2.46 -1.25 -4.87 115.29 114.20 2ayz s HIS 868 Ca 0.00 0.14 -0.16 0.00 0.47 0.00 0.00 55.06 55.51 2ayz s HIS 868 Cb 0.00 0.48 0.03 0.00 -0.13 0.00 0.00 32.58 32.97 2ayz s HIS 868 CO 0.00 -0.05 0.36 0.42 -2.47 0.00 0.00 174.74 173.01 2ayz s ILE 869 N -0.48 0.04 -0.19 0.89 1.09 -1.26 -4.98 121.20 116.32 2ayz s ILE 869 Ca 0.08 -0.34 -0.15 0.00 -1.10 0.00 0.00 60.65 59.13 2ayz s ILE 869 Cb -0.03 -0.64 -0.21 0.00 -1.06 0.00 0.00 42.46 40.52 2ayz s ILE 869 CO -0.11 -0.19 0.20 0.47 -0.10 0.00 0.00 174.94 175.20 2ayz n ASP 870 N 1.51 1.96 -4.17 3.58 8.00 0.10 -4.89 116.55 122.65 2ayz n ASP 870 Ca -0.20 0.32 -0.32 0.00 0.71 0.00 0.00 54.79 55.31 2ayz n ASP 870 Cb 0.56 -0.90 -0.17 0.00 -0.02 0.00 0.00 41.12 40.60 2ayz n ASP 870 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ayz s ILE 871 N -2.45 2.00 -0.13 0.53 -1.09 -0.96 -4.48 121.20 114.63 2ayz s ILE 871 Ca -0.28 -0.95 -0.03 0.00 -2.23 0.00 0.00 60.65 57.16 2ayz s ILE 871 Cb 0.07 -1.76 -0.03 0.00 -1.58 0.00 0.00 42.46 39.16 2ayz s ILE 871 CO 0.64 0.54 -0.03 -0.69 -1.23 0.00 0.00 174.94 174.18 2ayz s VAL 872 N 0.75 4.03 -0.19 2.92 1.01 -1.07 -0.71 120.40 127.13 2ayz s VAL 872 Ca -0.09 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.57 2ayz s VAL 872 Cb -0.16 -2.74 0.05 0.00 0.00 0.00 0.00 36.38 33.53 2ayz s VAL 872 CO 0.00 0.52 -0.06 -0.76 0.00 0.00 0.00 175.10 174.80 2ayz s LEU 873 N -0.00 1.97 -0.45 3.92 1.43 -0.09 -0.63 118.68 124.84 2ayz s LEU 873 Ca 0.01 -0.83 -0.08 0.00 -1.03 0.00 0.00 54.13 52.20 2ayz s LEU 873 Cb -0.13 -1.05 0.10 0.00 0.03 0.00 0.00 46.19 45.15 2ayz s LEU 873 CO 0.02 -0.19 0.30 -0.94 0.23 0.00 0.00 176.35 175.77 2ayz s SER 874 N 1.53 5.62 -0.51 2.29 1.04 -0.92 -1.71 113.70 121.05 2ayz s SER 874 Ca -0.01 -1.79 -0.28 0.00 0.48 0.00 0.00 55.95 54.35 2ayz s SER 874 Cb -0.16 -1.98 0.03 0.00 0.10 0.00 0.00 66.02 64.01 2ayz s SER 874 CO -0.08 -0.62 1.09 -0.62 0.98 0.00 0.00 173.24 173.99 2ayz s ASP 875 N 2.39 6.53 -0.16 7.02 -1.08 0.13 -0.75 116.67 130.75 2ayz s ASP 875 Ca 0.05 0.23 0.02 0.00 -0.52 0.00 0.00 52.55 52.33 2ayz s ASP 875 Cb -0.25 -2.52 0.01 0.00 -1.46 0.00 0.00 42.92 38.71 2ayz s ASP 875 CO -0.00 -1.27 -0.21 0.68 0.52 0.00 0.00 175.17 174.89 2ayz s VAL 876 N 4.39 2.04 -0.28 1.11 -7.23 0.02 -2.72 120.40 117.74 2ayz s VAL 876 Ca 0.43 -0.95 -0.01 0.00 -1.81 0.00 0.00 61.98 59.64 2ayz s VAL 876 Cb -0.08 -1.82 0.13 0.00 0.56 0.00 0.00 36.38 35.16 2ayz s VAL 876 CO 0.28 0.54 0.29 0.21 -0.31 0.00 0.00 175.10 176.11 2ayz s ASN 877 N 1.01 1.60 -0.14 4.85 3.84 -1.26 -2.44 114.94 122.40 2ayz s ASN 877 Ca -0.02 -0.65 -0.12 0.00 0.21 0.00 0.00 52.86 52.28 2ayz s ASN 877 Cb -0.14 0.51 0.04 0.00 -0.55 0.00 0.00 41.25 41.10 2ayz s ASN 877 CO -0.06 -0.38 0.36 -0.32 -2.79 0.00 0.00 177.10 173.91 2ayz s MET 878 N 2.36 0.42 0.20 0.43 1.75 -1.26 -4.99 119.30 118.21 2ayz s MET 878 Ca 0.09 0.52 -0.20 0.00 -1.25 0.00 0.00 55.69 54.85 2ayz s MET 878 Cb -0.14 0.19 0.15 0.00 2.84 0.00 0.00 34.83 37.87 2ayz s MET 878 CO -0.30 -0.06 1.58 -1.35 -0.65 0.00 0.00 175.02 174.24 2ayz h PRO 879 N 5.68 -0.11 -6.16 4.11 0.11 -1.99 -2.97 132.00 130.66 2ayz h PRO 879 Ca -0.27 0.01 -0.59 0.00 0.11 0.00 0.00 66.00 65.26 2ayz h PRO 879 Cb 1.18 0.03 -0.10 0.00 0.11 0.00 0.00 31.00 32.22 2ayz h PRO 879 CO 0.28 -0.08 1.37 1.21 -0.21 0.00 0.00 178.00 180.58 2ayz s ASN 880 N -5.22 6.41 -1.17 -2.05 3.84 -1.26 -4.91 114.94 110.58 2ayz s ASN 880 Ca -0.14 -1.19 -0.18 0.00 0.21 0.00 0.00 52.86 51.56 2ayz s ASN 880 Cb 0.17 -2.56 -0.04 0.00 -0.55 0.00 0.00 41.25 38.26 2ayz s ASN 880 CO 0.70 -1.59 2.08 0.80 -2.79 0.00 0.00 177.10 176.30 2ayz n MET 881 N 8.99 2.29 -0.83 0.43 1.56 -1.12 -4.54 117.12 123.90 2ayz n MET 881 Ca 0.25 -2.31 -0.01 0.00 -0.27 0.00 0.00 57.70 55.35 2ayz n MET 881 Cb 0.50 -3.16 0.28 0.00 2.15 0.00 0.00 33.22 33.00 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 6.93 4.57 -0.06 6.12 2.03 -1.26 -4.50 116.55 130.38 2ayz n ASP 882 Ca 0.51 -2.93 0.03 0.00 0.52 0.00 0.00 54.79 52.92 2ayz n ASP 882 Cb 0.40 -0.69 0.37 0.00 -0.72 0.00 0.00 41.12 40.48 2ayz n ASP 882 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2ayz h GLY 883 N 3.44 0.71 0.98 0.27 0.00 -1.95 -1.47 103.07 105.06 2ayz h GLY 883 Ca 0.15 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 2ayz h GLY 883 CO 0.55 0.26 0.23 0.10 0.00 0.00 0.00 176.54 177.69 2ayz h TYR 884 N 0.69 0.53 -0.22 5.60 -0.00 -1.92 -2.68 116.97 118.97 2ayz h TYR 884 Ca 0.19 -0.00 0.06 0.00 -0.00 0.00 0.00 58.73 58.98 2ayz h TYR 884 Cb -0.08 -0.17 -0.01 0.00 -0.00 0.00 0.00 36.73 36.47 2ayz h TYR 884 CO 0.00 0.39 0.29 -0.09 -0.00 0.00 0.00 178.16 178.74 2ayz h ARG 885 N 0.52 0.00 -0.48 0.10 1.12 -1.60 0.34 114.38 114.38 2ayz h ARG 885 Ca 0.14 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.98 2ayz h ARG 885 Cb 0.02 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 29.95 2ayz h ARG 885 CO -0.03 0.00 0.16 -0.07 -3.11 0.00 0.00 179.97 176.92 2ayz h LEU 886 N 0.00 0.64 -0.43 3.80 4.07 -1.39 0.57 115.31 122.56 2ayz h LEU 886 Ca 0.11 -0.08 -0.12 0.00 0.08 0.00 0.00 57.88 57.86 2ayz h LEU 886 Cb 0.68 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.24 2ayz h LEU 886 CO -0.00 0.60 -0.57 0.74 -1.08 0.00 0.00 178.44 178.13 2ayz h THR 887 N 0.69 1.11 -0.68 0.22 2.02 -0.45 -2.49 112.91 113.33 2ayz h THR 887 Ca 0.16 -2.20 0.03 0.00 0.77 0.00 0.00 66.41 65.18 2ayz h THR 887 Cb 0.19 2.30 -0.04 0.00 -1.74 0.00 0.00 68.15 68.86 2ayz h THR 887 CO -0.01 0.56 0.45 -0.61 0.37 0.00 0.00 175.52 176.28 2ayz h GLN 888 N 0.00 0.80 -0.50 6.66 5.75 -0.74 0.73 115.11 127.80 2ayz h GLN 888 Ca -0.01 -0.05 -0.11 0.00 -0.15 0.00 0.00 58.65 58.34 2ayz h GLN 888 Cb 1.25 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 29.60 2ayz h GLN 888 CO 0.07 0.53 -0.11 -0.09 -2.65 0.00 0.00 178.83 176.58 2ayz h ARG 889 N 0.83 0.93 -0.36 1.69 1.12 -1.07 0.00 114.38 117.52 2ayz h ARG 889 Ca 0.27 -0.33 0.06 0.00 -1.11 0.00 0.00 59.98 58.87 2ayz h ARG 889 Cb 0.06 -0.07 -0.05 0.00 -0.01 0.00 0.00 29.97 29.90 2ayz h ARG 889 CO -0.07 0.99 0.05 0.82 -3.11 0.00 0.00 179.97 178.64 2ayz h ILE 890 N 0.83 0.79 -0.59 1.20 2.04 -0.79 -0.55 117.51 120.44 2ayz h ILE 890 Ca 0.13 -0.05 -0.08 0.00 1.00 0.00 0.00 64.86 65.86 2ayz h ILE 890 Cb 0.65 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2ayz h ILE 890 CO 0.04 0.03 0.04 -0.09 0.00 0.00 0.00 178.15 178.18 2ayz h ARG 891 N 0.16 0.99 -0.79 2.37 2.43 -0.77 -0.30 114.38 118.47 2ayz h ARG 891 Ca 0.17 -0.28 0.07 0.00 -0.81 0.00 0.00 59.98 59.13 2ayz h ARG 891 Cb 0.21 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.59 2ayz h ARG 891 CO -0.25 0.95 0.47 0.37 -1.51 0.00 0.00 179.97 180.01 2ayz h GLN 892 N 0.92 0.82 -0.06 0.20 5.75 -0.33 -2.47 115.11 119.94 2ayz h GLN 892 Ca 0.18 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.58 2ayz h GLN 892 Cb 0.48 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.84 2ayz h GLN 892 CO 0.02 0.54 -0.13 1.25 -2.65 0.00 0.00 178.83 177.86 2ayz h LEU 893 N 0.85 0.23 0.00 -2.39 6.46 -0.86 -3.48 115.31 116.11 2ayz h LEU 893 Ca 0.35 -0.57 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 2ayz h LEU 893 Cb 0.21 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.08 2ayz h LEU 893 CO -0.19 0.75 0.00 0.61 -0.62 0.00 0.00 178.44 178.99 2ayz n GLY 894 N 0.45 1.65 3.65 3.75 0.00 -0.21 -5.11 105.19 109.37 2ayz n GLY 894 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2ayz n GLY 894 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ayz s LEU 895 N 0.00 4.11 0.00 0.99 1.43 -0.66 -4.89 118.68 119.66 2ayz s LEU 895 Ca 0.00 1.15 0.05 0.00 -1.03 0.00 0.00 54.13 54.30 2ayz s LEU 895 Cb 0.00 -3.28 0.14 0.00 0.03 0.00 0.00 46.19 43.08 2ayz s LEU 895 CO 0.00 -0.52 1.11 1.07 0.23 0.00 0.00 176.35 178.24 2ayz n THR 896 N 5.15 0.97 -1.53 5.49 5.66 -1.26 -4.51 114.28 124.25 2ayz n THR 896 Ca 0.07 -0.99 -0.31 0.00 -3.05 0.00 0.00 64.05 59.77 2ayz n THR 896 Cb 0.47 0.52 0.06 0.00 -1.55 0.00 0.00 70.33 69.83 2ayz n THR 896 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 2ayz s LEU 897 N -0.98 3.16 -0.36 1.09 2.34 -1.26 -4.89 118.68 117.77 2ayz s LEU 897 Ca 0.11 1.74 -0.27 0.00 0.06 0.00 0.00 54.13 55.77 2ayz s LEU 897 Cb 0.06 -4.51 -0.06 0.00 -0.56 0.00 0.00 46.19 41.11 2ayz s LEU 897 CO 0.08 -1.64 2.33 -0.81 -1.06 0.00 0.00 176.35 175.25 2ayz n PRO 898 N -3.09 1.47 -3.68 1.48 -0.04 -1.26 -4.84 135.00 125.04 2ayz n PRO 898 Ca 0.08 0.25 -0.38 0.00 -0.04 0.00 0.00 63.50 63.41 2ayz n PRO 898 Cb 0.53 -3.34 -0.12 0.00 -0.04 0.00 0.00 33.50 30.54 2ayz n PRO 898 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ayz s VAL 899 N 10.36 4.47 -0.36 0.52 1.01 -1.08 -2.61 120.40 132.70 2ayz s VAL 899 Ca 1.00 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 62.43 2ayz s VAL 899 Cb -0.26 -3.27 0.03 0.00 0.00 0.00 0.00 36.38 32.88 2ayz s VAL 899 CO 0.31 0.08 0.17 -0.63 0.00 0.00 0.00 175.10 175.03 2ayz s ILE 900 N 1.59 4.27 -0.21 2.22 1.01 0.20 -1.25 121.20 129.04 2ayz s ILE 900 Ca 0.04 -0.95 -0.21 0.00 0.00 0.00 0.00 60.65 59.53 2ayz s ILE 900 Cb -0.17 -3.39 -0.02 0.00 0.01 0.00 0.00 42.46 38.89 2ayz s ILE 900 CO 0.05 -0.20 0.67 -0.83 0.00 0.00 0.00 174.94 174.63 2ayz s GLY 901 N 1.50 1.97 -0.88 6.18 0.00 -0.38 -2.15 107.32 113.55 2ayz s GLY 901 Ca 0.01 -0.27 -0.23 0.00 0.00 0.00 0.00 44.72 44.22 2ayz s GLY 901 CO 0.05 1.42 1.29 0.14 0.00 0.00 0.00 173.10 176.00 2ayz s VAL 902 N 2.16 4.05 -0.23 1.40 1.01 0.07 -0.77 120.40 128.08 2ayz s VAL 902 Ca 0.30 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 61.66 2ayz s VAL 902 Cb -0.16 -4.93 -0.04 0.00 0.00 0.00 0.00 36.38 31.25 2ayz s VAL 902 CO 0.10 -1.79 0.13 0.42 0.00 0.00 0.00 175.10 173.96 2ayz s THR 903 N 4.70 5.04 -0.44 3.92 -4.23 0.16 -0.80 115.64 123.99 2ayz s THR 903 Ca 0.38 0.07 -0.12 0.00 -1.18 0.00 0.00 61.69 60.84 2ayz s THR 903 Cb -0.05 -3.34 0.07 0.00 1.34 0.00 0.00 72.50 70.52 2ayz s THR 903 CO -0.00 0.36 0.31 0.00 -0.54 0.00 0.00 174.62 174.74 2ayz s ALA 904 N 1.11 3.40 -0.75 3.99 0.00 -1.02 -3.21 121.76 125.27 2ayz s ALA 904 Ca 0.06 -2.11 -0.00 0.00 0.00 0.00 0.00 51.96 49.91 2ayz s ALA 904 Cb -0.14 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.17 2ayz s ALA 904 CO 0.04 -1.66 0.68 -1.71 0.00 0.00 0.00 175.76 173.11 2ayz n ASN 905 N 5.03 -7.34 -1.79 0.00 2.85 -1.26 -4.74 115.26 108.01 2ayz n ASN 905 Ca -0.11 -0.21 -0.12 0.00 -0.11 0.00 0.00 54.58 54.03 2ayz n ASN 905 Cb 0.43 -4.74 0.22 0.00 1.24 0.00 0.00 39.78 36.93 2ayz n ASN 905 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ayz n ALA 906 N -1.90 4.84 -0.88 5.20 0.00 -1.26 -4.96 120.51 121.55 2ayz n ALA 906 Ca -0.05 -2.81 0.00 0.00 0.00 0.00 0.00 53.44 50.58 2ayz n ALA 906 Cb 0.53 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 -0.88 0.00 -4.29 0.00 4.77 -1.26 -3.66 117.00 111.69 2ayz n LEU 907 Ca 0.46 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.98 2ayz n LEU 907 Cb 1.38 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 42.43 2ayz n LEU 907 CO 0.42 0.00 0.30 0.00 -1.33 0.00 0.00 177.39 176.78 2ayz s ALA 908 N -1.00 3.90 0.29 -1.18 0.00 -1.26 -4.93 121.76 117.58 2ayz s ALA 908 Ca 0.00 -3.12 -0.03 0.00 0.00 0.00 0.00 51.96 48.82 2ayz s ALA 908 Cb 0.00 -3.32 0.40 0.00 0.00 0.00 0.00 23.12 20.19 2ayz s ALA 908 CO 0.00 -2.18 1.95 1.05 0.00 0.00 0.00 175.76 176.58 2ayz h GLU 909 N 7.95 1.13 -0.66 0.00 -0.00 -2.00 -1.06 114.58 119.94 2ayz h GLU 909 Ca -0.01 -0.08 0.03 0.00 -0.00 0.00 0.00 59.36 59.30 2ayz h GLU 909 Cb 1.04 -0.25 -0.04 0.00 -0.00 0.00 0.00 28.75 29.51 2ayz h GLU 909 CO 0.81 0.76 0.44 1.05 -0.00 0.00 0.00 179.01 182.07 2ayz h GLU 910 N 1.16 0.80 -0.26 1.06 9.09 -1.92 0.13 114.58 124.64 2ayz h GLU 910 Ca 0.31 -0.05 -0.19 0.00 0.05 0.00 0.00 59.36 59.48 2ayz h GLU 910 Cb -0.11 -0.18 0.00 0.00 -1.65 0.00 0.00 28.75 26.81 2ayz h GLU 910 CO -0.07 0.53 -0.58 -0.22 0.05 0.00 0.00 179.01 178.72 2ayz h LYS 911 N 0.82 0.84 0.00 1.06 3.64 -1.62 -2.13 116.57 119.18 2ayz h LYS 911 Ca 0.26 -0.55 -0.10 0.00 -1.27 0.00 0.00 60.65 58.99 2ayz h LYS 911 Cb 0.02 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2ayz h LYS 911 CO -0.07 1.18 -0.47 1.96 -2.27 0.00 0.00 179.45 179.78 2ayz h GLN 912 N 0.63 0.00 0.00 1.90 7.50 -0.71 -1.58 115.11 122.86 2ayz h GLN 912 Ca 0.01 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 59.10 2ayz h GLN 912 Cb 1.19 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.71 2ayz h GLN 912 CO 0.13 0.47 -0.27 0.00 -1.50 0.00 0.00 178.83 177.67 2ayz h ARG 913 N 0.00 0.00 0.00 1.46 3.08 -0.54 0.66 114.38 119.04 2ayz h ARG 913 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 2ayz h ARG 913 Cb 0.86 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.89 2ayz h ARG 913 CO 0.06 0.27 -0.59 0.00 -1.07 0.00 0.00 179.97 178.64 2ayz h LEU 915 N 0.00 -0.17 0.13 0.00 3.38 -0.45 -3.38 115.31 114.83 2ayz h LEU 915 Ca -0.01 -0.37 -0.20 0.00 0.09 0.00 0.00 57.88 57.39 2ayz h LEU 915 Cb 1.10 0.04 0.02 0.00 0.09 0.00 0.00 40.66 41.92 2ayz h LEU 915 CO 0.08 0.39 -0.86 1.05 0.09 0.00 0.00 178.44 179.19 2ayz h GLU 916 N -0.86 0.35 -6.26 1.13 -0.00 -1.05 -3.47 114.58 104.43 2ayz h GLU 916 Ca -0.02 -0.55 -0.45 0.00 -0.00 0.00 0.00 59.36 58.34 2ayz h GLU 916 Cb 0.53 0.20 0.02 0.00 -0.00 0.00 0.00 28.75 29.50 2ayz h GLU 916 CO 0.03 1.25 -0.87 0.43 -0.00 0.00 0.00 179.01 179.85 2ayz n SER 917 N -4.09 -1.65 -0.09 3.06 7.64 0.17 -4.12 113.62 114.54 2ayz n SER 917 Ca -0.14 -0.93 0.00 0.00 1.01 0.00 0.00 58.87 58.82 2ayz n SER 917 Cb 0.83 -3.57 0.00 0.00 -1.01 0.00 0.00 64.21 60.46 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 -1.75 -1.34 0.00 0.23 0.00 -1.26 -4.78 105.19 96.30 2ayz n GLY 918 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 0.00 0.00 1.61 2.81 -1.26 -4.57 117.12 115.71 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 0.53 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.04 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 -3.79 7.83 -0.08 -0.38 -2.65 116.55 117.48 2ayz n ASP 920 Ca 0.00 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.18 2ayz n ASP 920 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 2ayz n ASP 920 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2ayz s SER 921 N 0.00 -0.03 -0.05 1.67 0.01 -1.08 -5.00 113.70 109.22 2ayz s SER 921 Ca 0.00 -0.36 0.04 0.00 1.31 0.00 0.00 55.95 56.94 2ayz s SER 921 Cb 0.00 0.34 -0.00 0.00 0.21 0.00 0.00 66.02 66.57 2ayz s SER 921 CO 0.00 -0.65 -0.17 0.00 0.41 0.00 0.00 173.24 172.83 2ayz n LEU 923 N 3.23 0.00 -4.79 0.00 4.77 0.05 -4.95 117.00 115.31 2ayz n LEU 923 Ca -0.19 -2.69 -0.26 0.00 -0.03 0.00 0.00 56.01 52.84 2ayz n LEU 923 Cb 0.53 0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 41.81 2ayz n LEU 923 CO 0.25 -0.41 -0.22 -0.44 -1.33 0.00 0.00 177.39 175.23 2ayz s SER 924 N -3.46 5.46 0.18 -1.43 0.01 -1.26 -0.67 113.70 112.53 2ayz s SER 924 Ca 0.04 -0.16 -0.13 0.00 1.31 0.00 0.00 55.95 57.01 2ayz s SER 924 Cb -0.00 -1.40 0.18 0.00 0.21 0.00 0.00 66.02 65.01 2ayz s SER 924 CO 0.03 0.06 1.70 0.50 0.41 0.00 0.00 173.24 175.95 2ayz h LYS 925 N 2.37 0.18 -3.98 12.44 3.64 -1.81 -3.19 116.57 126.22 2ayz h LYS 925 Ca -0.48 -0.01 -0.57 0.00 -1.27 0.00 0.00 60.65 58.32 2ayz h LYS 925 Cb 1.20 -0.04 0.03 0.00 -0.41 0.00 0.00 32.23 33.01 2ayz h LYS 925 CO 0.63 0.12 2.61 -0.35 -2.27 0.00 0.00 179.45 180.19 2ayz n PRO 926 N -5.15 2.01 -2.59 1.90 -0.04 -1.26 -4.91 135.00 124.95 2ayz n PRO 926 Ca 0.05 -1.84 -0.43 0.00 -0.04 0.00 0.00 63.50 61.24 2ayz n PRO 926 Cb 0.25 -2.81 -0.02 0.00 -0.04 0.00 0.00 33.50 30.88 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 4.07 4.44 0.66 0.52 -7.23 -1.21 -5.03 120.40 116.62 2ayz s VAL 927 Ca 0.51 1.66 -0.08 0.00 -1.81 0.00 0.00 61.98 62.26 2ayz s VAL 927 Cb 0.13 -4.35 0.03 0.00 0.56 0.00 0.00 36.38 32.75 2ayz s VAL 927 CO 0.03 -0.45 0.99 0.42 -0.31 0.00 0.00 175.10 175.78 2ayz s THR 928 N 3.75 3.22 0.32 5.32 -4.23 -1.26 -4.86 115.64 117.90 2ayz s THR 928 Ca 0.48 0.07 0.01 0.00 -1.18 0.00 0.00 61.69 61.07 2ayz s THR 928 Cb -0.14 -3.34 0.27 0.00 1.34 0.00 0.00 72.50 70.64 2ayz s THR 928 CO 0.16 -0.38 1.95 0.25 -0.54 0.00 0.00 174.62 176.06 2ayz h LEU 929 N -0.44 0.86 0.68 4.79 7.12 -1.98 0.80 115.31 127.14 2ayz h LEU 929 Ca -0.45 -0.01 -0.03 0.00 0.13 0.00 0.00 57.88 57.52 2ayz h LEU 929 Cb 1.27 -0.20 0.01 0.00 -0.53 0.00 0.00 40.66 41.21 2ayz h LEU 929 CO 0.62 0.59 -0.33 -0.78 -0.13 0.00 0.00 178.44 178.40 2ayz h ASP 930 N 0.99 -0.78 -0.36 1.25 1.82 -2.00 -0.20 116.42 117.14 2ayz h ASP 930 Ca 0.33 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.98 2ayz h ASP 930 Cb 0.06 0.20 -0.02 0.00 0.68 0.00 0.00 39.33 40.25 2ayz h ASP 930 CO -0.10 -0.53 0.22 0.58 -1.61 0.00 0.00 179.24 177.80 2ayz h VAL 931 N -0.96 1.12 -0.68 2.25 2.07 -1.90 -2.64 116.25 115.51 2ayz h VAL 931 Ca -0.09 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 67.19 2ayz h VAL 931 Cb 0.72 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 2ayz h VAL 931 CO 0.15 0.12 0.41 0.40 0.02 0.00 0.00 177.57 178.67 2ayz h ILE 932 N 0.47 1.03 -0.10 4.57 2.04 -0.74 -1.72 117.51 123.06 2ayz h ILE 932 Ca 0.13 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 2ayz h ILE 932 Cb 0.01 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.27 2ayz h ILE 932 CO -0.02 0.14 -0.01 0.50 0.00 0.00 0.00 178.15 178.76 2ayz h LYS 933 N 0.78 0.19 -0.48 2.37 3.11 -0.82 0.38 116.57 122.09 2ayz h LYS 933 Ca 0.29 -0.06 -0.08 0.00 -2.81 0.00 0.00 60.65 57.98 2ayz h LYS 933 Cb 0.10 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.30 2ayz h LYS 933 CO -0.14 0.46 -0.02 -0.56 -2.81 0.00 0.00 179.45 176.37 2ayz h GLN 934 N -0.10 0.86 -0.15 1.90 -0.00 -1.30 -1.30 115.11 115.02 2ayz h GLN 934 Ca 0.03 -0.29 -0.17 0.00 -0.00 0.00 0.00 58.65 58.22 2ayz h GLN 934 Cb 0.38 -0.07 0.01 0.00 -0.00 0.00 0.00 27.48 27.79 2ayz h GLN 934 CO 0.01 0.92 -0.58 1.15 -0.00 0.00 0.00 178.83 180.33 2ayz h THR 935 N 0.72 1.32 -0.05 1.86 2.02 -1.32 -2.26 112.91 115.19 2ayz h THR 935 Ca 0.13 -1.83 -0.01 0.00 0.77 0.00 0.00 66.41 65.47 2ayz h THR 935 Cb 0.55 2.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.97 2ayz h THR 935 CO 0.03 0.57 -0.01 0.25 0.37 0.00 0.00 175.52 176.73 2ayz h LEU 936 N 0.34 0.10 -0.94 2.58 5.85 -0.87 -2.17 115.31 120.21 2ayz h LEU 936 Ca -0.03 -0.35 -0.08 0.00 0.84 0.00 0.00 57.88 58.26 2ayz h LEU 936 Cb 1.21 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 2ayz h LEU 936 CO 0.12 0.43 -0.05 0.74 -0.34 0.00 0.00 178.44 179.34 2ayz h THR 937 N -0.23 1.24 -0.64 1.05 2.02 -1.33 0.85 112.91 115.87 2ayz h THR 937 Ca 0.01 -1.04 -0.04 0.00 0.77 0.00 0.00 66.41 66.11 2ayz h THR 937 Cb 0.38 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 2ayz h THR 937 CO 0.00 0.36 0.23 0.25 0.37 0.00 0.00 175.52 176.74 2ayz h LEU 938 N 0.67 0.91 0.00 2.58 5.85 -1.31 0.33 115.31 124.34 2ayz h LEU 938 Ca 0.12 -0.19 -0.20 0.00 0.84 0.00 0.00 57.88 58.46 2ayz h LEU 938 Cb 0.49 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 2ayz h LEU 938 CO 0.03 0.85 -1.08 1.88 -0.34 0.00 0.00 178.44 179.78 2ayz h TYR 939 N 0.91 0.00 -0.40 1.25 0.05 -1.14 -0.47 116.97 117.17 2ayz h TYR 939 Ca 0.21 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.91 2ayz h TYR 939 Cb 0.24 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 2ayz h TYR 939 CO 0.02 0.86 -0.06 0.00 -1.05 0.00 0.00 178.16 177.93 2ayz h ALA 940 N 1.14 0.54 -0.24 3.88 0.00 -0.69 -1.49 119.26 122.40 2ayz h ALA 940 Ca -0.08 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 2ayz h ALA 940 Cb 1.73 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 2ayz h ALA 940 CO 0.10 0.37 -0.20 1.49 0.00 0.00 0.00 179.25 181.02 2ayz h GLU 941 N 0.55 0.43 -0.26 0.00 4.81 -0.94 -1.65 114.58 117.52 2ayz h GLU 941 Ca 0.11 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2ayz h GLU 941 Cb 0.56 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 2ayz h GLU 941 CO 0.03 0.61 0.16 -0.09 -0.73 0.00 0.00 179.01 178.99 2ayz h ARG 942 N 0.39 0.31 -0.02 1.92 2.43 -0.54 0.15 114.38 119.02 2ayz h ARG 942 Ca 0.07 -0.02 -0.19 0.00 -0.81 0.00 0.00 59.98 59.03 2ayz h ARG 942 Cb 0.57 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2ayz h ARG 942 CO 0.04 0.21 -0.81 -0.39 -1.51 0.00 0.00 179.97 177.50 2ayz h VAL 943 N 0.32 1.44 -0.76 0.20 -1.51 -1.22 -1.21 116.25 113.51 2ayz h VAL 943 Ca 0.10 -2.39 -0.03 0.00 -1.23 0.00 0.00 66.70 63.14 2ayz h VAL 943 Cb -0.01 2.31 -0.03 0.00 -2.13 0.00 0.00 31.29 31.43 2ayz h VAL 943 CO -0.04 0.71 0.34 -0.09 -1.23 0.00 0.00 177.57 177.26 2ayz h ARG 944 N 0.17 1.11 0.00 5.19 9.65 -0.86 -2.39 114.38 127.25 2ayz h ARG 944 Ca -0.04 -0.18 0.00 0.00 -1.10 0.00 0.00 59.98 58.66 2ayz h ARG 944 Cb 1.41 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 2ayz h ARG 944 CO 0.13 0.88 -0.31 1.57 2.80 0.00 0.00 179.97 185.04 2ayz h LYS 945 N 1.08 0.00 -0.22 0.20 2.10 -0.69 0.14 116.57 119.19 2ayz h LYS 945 Ca 0.26 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.84 2ayz h LYS 945 Cb 0.15 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.47 2ayz h LYS 945 CO -0.03 0.00 -0.17 0.77 -2.00 0.00 0.00 179.45 178.02 2ayz h SER 946 N 0.00 0.36 0.07 7.07 0.02 -0.73 -3.09 113.55 117.25 2ayz h SER 946 Ca 0.00 -0.10 -0.27 0.00 -0.84 0.00 0.00 61.79 60.59 2ayz h SER 946 Cb 0.94 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.36 2ayz h SER 946 CO 0.00 0.56 -1.43 0.03 -1.14 0.00 0.00 176.83 174.85 2ayz h ARG 947 N 0.34 0.15 0.00 3.45 2.47 -1.43 -3.49 114.38 115.87 2ayz h ARG 947 Ca 0.06 -0.25 0.00 0.00 -1.26 0.00 0.00 59.98 58.53 2ayz h ARG 947 Cb 0.51 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.92 2ayz h ARG 947 CO 0.03 1.12 0.00 -3.47 0.56 0.00 0.00 179.97 178.21 2ayz n ASP 948 N -4.05 0.00 0.00 7.04 -0.08 0.48 -5.12 116.55 114.82 2ayz n ASP 948 Ca -0.29 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 52.99 2ayz n ASP 948 Cb 0.83 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.29 2ayz n ASP 948 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12