#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aze s ARG 830 N 0.00 0.43 -0.16 1.43 3.52 -1.26 -5.14 118.95 117.77 2aze s ARG 830 Ca 0.00 0.20 -0.02 0.00 -0.13 0.00 0.00 55.73 55.78 2aze s ARG 830 Cb 0.00 -0.24 -0.01 0.00 -1.56 0.00 0.00 34.95 33.13 2aze s ARG 830 CO 0.00 -1.01 -0.09 0.42 -0.81 0.00 0.00 175.30 173.80 2aze s ILE 831 N 2.58 3.23 -0.09 4.11 -1.09 -1.26 -5.11 121.20 123.57 2aze s ILE 831 Ca 0.10 -0.58 0.01 0.00 -2.23 0.00 0.00 60.65 57.96 2aze s ILE 831 Cb -0.12 -2.40 -0.02 0.00 -1.58 0.00 0.00 42.46 38.33 2aze s ILE 831 CO -0.29 0.49 -0.13 -0.22 -1.23 0.00 0.00 174.94 173.56 2aze s LEU 832 N 0.74 2.77 0.06 2.97 2.96 -1.26 -5.10 118.68 121.82 2aze s LEU 832 Ca -0.04 -0.24 -0.05 0.00 -0.22 0.00 0.00 54.13 53.58 2aze s LEU 832 Cb -0.15 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 44.93 2aze s LEU 832 CO 0.02 0.26 0.08 0.68 -1.32 0.00 0.00 176.35 176.07 2aze s VAL 833 N -0.20 0.16 -0.15 1.68 -7.23 -1.26 -5.13 120.40 108.27 2aze s VAL 833 Ca 0.01 -1.34 -0.07 0.00 -1.81 0.00 0.00 61.98 58.77 2aze s VAL 833 Cb -0.13 -1.21 -0.04 0.00 0.56 0.00 0.00 36.38 35.56 2aze s VAL 833 CO 0.03 -0.74 0.09 -0.44 -0.31 0.00 0.00 175.10 173.73 2aze s SER 834 N -2.58 5.94 -1.16 4.85 0.01 -1.26 -5.02 113.70 114.48 2aze s SER 834 Ca 0.01 0.25 -0.21 0.00 1.31 0.00 0.00 55.95 57.32 2aze s SER 834 Cb 0.03 -1.95 0.04 0.00 0.21 0.00 0.00 66.02 64.35 2aze s SER 834 CO -0.08 0.29 1.68 -0.63 0.41 0.00 0.00 173.24 174.91 2aze s ILE 835 N -0.30 3.94 0.00 1.44 -1.09 -1.26 -3.43 121.20 120.49 2aze s ILE 835 Ca 0.10 -1.30 0.00 0.00 -2.23 0.00 0.00 60.65 57.22 2aze s ILE 835 Cb -0.12 -4.99 0.00 0.00 -1.58 0.00 0.00 42.46 35.77 2aze s ILE 835 CO 0.01 -1.80 0.00 0.61 -1.23 0.00 0.00 174.94 172.53 2aze n GLY 836 N 6.06 0.00 2.75 6.18 0.00 -1.26 -5.12 105.19 113.79 2aze n GLY 836 Ca 0.42 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 2aze n GLY 836 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2aze s GLU 837 N 0.00 0.78 0.00 1.61 2.56 -1.22 -4.99 118.70 117.43 2aze s GLU 837 Ca 0.00 -0.91 0.11 0.00 0.00 0.00 0.00 54.97 54.17 2aze s GLU 837 Cb 0.00 -2.07 0.49 0.00 2.00 0.00 0.00 34.13 34.55 2aze s GLU 837 CO 0.00 -0.87 1.37 0.43 -0.56 0.00 0.00 175.26 175.63 2aze n SER 838 N 4.88 0.00 -4.38 -1.70 7.64 -1.26 -4.21 113.62 114.59 2aze n SER 838 Ca -0.05 0.50 -0.29 0.00 1.01 0.00 0.00 58.87 60.04 2aze n SER 838 Cb 0.43 -0.50 -0.13 0.00 -1.01 0.00 0.00 64.21 63.00 2aze n SER 838 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2aze s PHE 839 N -3.00 2.31 0.00 1.43 0.40 -1.26 -4.85 117.98 113.01 2aze s PHE 839 Ca 0.06 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.00 2aze s PHE 839 Cb 0.08 -1.29 0.00 0.00 0.51 0.00 0.00 43.02 42.32 2aze s PHE 839 CO 0.21 0.28 0.00 0.41 0.70 0.00 0.00 175.22 176.82 2aze n GLY 840 N 1.14 2.00 0.40 4.36 0.00 -1.26 -4.84 105.19 106.99 2aze n GLY 840 Ca -0.18 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.46 2aze n GLY 840 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2aze n THR 841 N 0.00 -0.62 -0.17 2.61 -1.04 -1.26 0.95 114.28 114.75 2aze n THR 841 Ca 0.00 2.31 -0.05 0.00 -2.04 0.00 0.00 64.05 64.27 2aze n THR 841 Cb 0.00 -2.90 0.04 0.00 -1.82 0.00 0.00 70.33 65.65 2aze n THR 841 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2aze h SER 842 N 0.00 0.47 -0.05 8.00 0.02 -1.89 1.40 113.55 121.51 2aze h SER 842 Ca 0.19 0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 61.01 2aze h SER 842 Cb 0.44 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 2aze h SER 842 CO -0.92 0.33 -0.44 -0.33 -1.14 0.00 0.00 176.83 174.34 2aze h GLU 843 N 0.59 0.58 0.00 3.45 5.08 -1.51 0.17 114.58 122.95 2aze h GLU 843 Ca 0.21 -0.31 -0.19 0.00 -1.00 0.00 0.00 59.36 58.07 2aze h GLU 843 Cb 0.05 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2aze h GLU 843 CO -0.11 0.91 -0.85 0.87 -1.00 0.00 0.00 179.01 178.83 2aze h LYS 844 N 0.47 0.11 -0.83 2.33 1.57 0.10 0.13 116.57 120.46 2aze h LYS 844 Ca 0.03 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2aze h LYS 844 Cb 0.96 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.26 2aze h LYS 844 CO 0.09 0.89 0.44 0.74 -0.57 0.00 0.00 179.45 181.04 2aze h PHE 845 N 0.06 1.15 -0.02 -1.35 0.05 0.21 0.17 116.94 117.21 2aze h PHE 845 Ca -0.03 -0.04 -0.13 0.00 3.82 0.00 0.00 57.97 61.60 2aze h PHE 845 Cb 1.48 -0.36 -0.02 0.00 2.00 0.00 0.00 35.95 39.05 2aze h PHE 845 CO 0.02 0.81 -0.59 0.37 -0.18 0.00 0.00 178.31 178.73 2aze h GLN 846 N 1.16 0.06 -0.38 1.51 5.75 -0.36 0.56 115.11 123.41 2aze h GLN 846 Ca 0.29 -0.04 -0.16 0.00 -0.15 0.00 0.00 58.65 58.59 2aze h GLN 846 Cb 0.05 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 2aze h GLN 846 CO -0.04 0.63 -0.39 0.87 -2.65 0.00 0.00 178.83 177.25 2aze h LYS 847 N 0.04 0.93 -0.41 1.69 1.57 -0.56 -0.08 116.57 119.75 2aze h LYS 847 Ca -0.01 -0.49 0.04 0.00 -1.87 0.00 0.00 60.65 58.32 2aze h LYS 847 Cb 1.06 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.35 2aze h LYS 847 CO 0.08 1.15 0.18 0.82 -0.57 0.00 0.00 179.45 181.10 2aze h ILE 848 N 0.76 0.93 -0.25 1.86 2.04 -0.24 0.24 117.51 122.84 2aze h ILE 848 Ca 0.06 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 2aze h ILE 848 Cb 0.99 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2aze h ILE 848 CO 0.10 0.07 0.02 0.78 0.00 0.00 0.00 178.15 179.11 2aze h ASN 849 N 0.36 0.33 0.02 1.72 2.35 0.23 -1.87 115.58 118.73 2aze h ASN 849 Ca 0.18 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2aze h ASN 849 Cb 0.13 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.41 2aze h ASN 849 CO -0.16 0.38 -0.01 -0.61 -1.65 0.00 0.00 177.43 175.38 2aze h GLN 850 N 0.36 -0.02 -0.19 0.81 5.75 -0.31 -1.80 115.11 119.71 2aze h GLN 850 Ca 0.08 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.64 2aze h GLN 850 Cb 0.21 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.76 2aze h GLN 850 CO 0.00 0.41 0.15 1.98 -2.65 0.00 0.00 178.83 178.72 2aze h MET 851 N -0.47 0.00 -0.01 1.69 4.05 -0.37 -3.12 114.93 116.71 2aze h MET 851 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2aze h MET 851 Cb 0.44 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 2aze h MET 851 CO 0.00 0.00 -0.31 1.55 0.23 0.00 0.00 176.91 178.38 2aze n VAL 852 N -4.32 0.00 0.10 -5.77 3.14 -0.72 -4.57 118.33 106.19 2aze n VAL 852 Ca 0.02 -0.34 -0.20 0.00 -2.96 0.00 0.00 64.34 60.85 2aze n VAL 852 Cb 0.29 1.16 -0.12 0.00 -1.06 0.00 0.00 33.84 34.10 2aze n VAL 852 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2aze s ASN 854 N -7.34 6.85 -0.43 0.00 2.47 -1.26 -4.95 114.94 110.28 2aze s ASN 854 Ca -0.08 0.89 0.09 0.00 0.42 0.00 0.00 52.86 54.18 2aze s ASN 854 Cb 0.06 -2.54 0.41 0.00 -1.45 0.00 0.00 41.25 37.74 2aze s ASN 854 CO 0.91 -0.94 1.02 -1.54 -3.72 0.00 0.00 177.10 172.83 2aze n SER 855 N 7.03 3.61 -0.02 -4.21 3.41 -1.26 -4.86 113.62 117.32 2aze n SER 855 Ca 0.11 -3.43 -0.13 0.00 -0.26 0.00 0.00 58.87 55.17 2aze n SER 855 Cb 0.48 -0.51 -0.10 0.00 -0.26 0.00 0.00 64.21 63.81 2aze n SER 855 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2aze h ASP 856 N 2.78 0.00 -1.87 4.04 3.32 -2.00 -3.35 116.42 119.35 2aze h ASP 856 Ca 0.16 -0.58 -0.74 0.00 0.02 0.00 0.00 57.03 55.89 2aze h ASP 856 Cb 0.91 -0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.20 2aze h ASP 856 CO 0.74 0.58 1.00 -2.11 -1.72 0.00 0.00 179.24 177.73 2aze n ARG 857 N -4.81 2.71 -4.49 3.56 -4.01 -1.26 -4.94 116.66 103.42 2aze n ARG 857 Ca -0.09 -3.40 -0.34 0.00 -1.04 0.00 0.00 57.85 52.99 2aze n ARG 857 Cb 0.29 -2.26 -0.13 0.00 -3.04 0.00 0.00 32.46 27.32 2aze n ARG 857 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 2aze s VAL 858 N -4.80 3.51 0.01 8.89 1.01 -1.26 -5.10 120.40 122.66 2aze s VAL 858 Ca 0.53 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 2aze s VAL 858 Cb 0.44 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 2aze s VAL 858 CO -0.38 0.50 1.01 -0.76 0.00 0.00 0.00 175.10 175.46 2aze s LEU 859 N 0.49 4.37 0.25 3.92 1.43 -1.26 -5.03 118.68 122.86 2aze s LEU 859 Ca -0.06 1.71 -0.30 0.00 -1.03 0.00 0.00 54.13 54.46 2aze s LEU 859 Cb -0.15 -3.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.41 2aze s LEU 859 CO 0.03 -0.29 0.97 -0.54 0.23 0.00 0.00 176.35 176.76 2aze s LYS 860 N 1.01 4.80 0.25 1.70 1.02 -1.26 -5.03 119.74 122.23 2aze s LYS 860 Ca 0.53 1.54 -0.30 0.00 0.02 0.00 0.00 55.97 57.76 2aze s LYS 860 Cb -0.22 -3.23 -0.09 0.00 -0.52 0.00 0.00 37.83 33.77 2aze s LYS 860 CO 0.28 0.44 1.10 1.03 -0.92 0.00 0.00 175.35 177.28 2aze s ARG 861 N -1.29 4.63 -0.11 1.68 1.81 -1.26 -5.05 118.95 119.36 2aze s ARG 861 Ca 0.42 1.77 0.01 0.00 -1.72 0.00 0.00 55.73 56.22 2aze s ARG 861 Cb -0.27 -3.22 -0.02 0.00 -0.45 0.00 0.00 34.95 31.00 2aze s ARG 861 CO 0.33 0.18 -0.14 0.45 -0.68 0.00 0.00 175.30 175.44 2aze s SER 862 N -0.66 3.92 0.28 0.23 0.15 -1.26 -5.02 113.70 111.35 2aze s SER 862 Ca 0.46 -0.32 0.03 0.00 0.70 0.00 0.00 55.95 56.81 2aze s SER 862 Cb -0.31 -1.41 0.41 0.00 -1.71 0.00 0.00 66.02 63.00 2aze s SER 862 CO 0.39 0.21 1.72 0.00 1.20 0.00 0.00 173.24 176.75 2aze h ALA 863 N 6.39 1.10 -2.93 5.45 0.00 -1.96 -3.38 119.26 123.92 2aze h ALA 863 Ca -0.30 -0.35 -0.59 0.00 0.00 0.00 0.00 54.91 53.68 2aze h ALA 863 Cb 1.20 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 2aze h ALA 863 CO 0.54 0.56 -0.21 -1.83 0.00 0.00 0.00 179.25 178.31 2aze s GLU 864 N -4.46 4.24 0.00 0.00 1.03 -1.26 -3.59 118.70 114.66 2aze s GLU 864 Ca -0.07 0.33 0.00 0.00 0.03 0.00 0.00 54.97 55.26 2aze s GLU 864 Cb 0.14 -3.40 0.00 0.00 -0.80 0.00 0.00 34.13 30.07 2aze s GLU 864 CO 0.79 0.28 0.00 0.41 -1.33 0.00 0.00 175.26 175.40 2aze n GLY 865 N 3.05 0.47 3.38 -3.83 0.00 -1.26 -5.07 105.19 101.93 2aze n GLY 865 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2aze n GLY 865 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2aze s SER 866 N -2.78 3.30 -0.44 1.61 1.04 -1.24 -5.11 113.70 110.08 2aze s SER 866 Ca 0.00 -0.67 -0.08 0.00 0.48 0.00 0.00 55.95 55.68 2aze s SER 866 Cb 0.00 -0.27 0.10 0.00 0.10 0.00 0.00 66.02 65.95 2aze s SER 866 CO 0.00 0.21 0.29 0.21 0.98 0.00 0.00 173.24 174.93 2aze s ASN 867 N -1.72 5.60 0.43 7.02 3.04 -1.26 -5.01 114.94 123.04 2aze s ASN 867 Ca 0.13 -1.77 -0.26 0.00 0.04 0.00 0.00 52.86 51.00 2aze s ASN 867 Cb -0.10 -1.97 -0.09 0.00 -1.54 0.00 0.00 41.25 37.56 2aze s ASN 867 CO 0.05 -0.61 1.39 -2.16 -3.04 0.00 0.00 177.10 172.72 2aze s PRO 868 N 1.35 3.81 0.71 0.43 0.04 -1.26 -4.98 135.00 135.10 2aze s PRO 868 Ca 0.05 2.33 -0.16 0.00 0.04 0.00 0.00 61.00 63.26 2aze s PRO 868 Cb -0.24 -2.71 0.03 0.00 0.04 0.00 0.00 34.50 31.62 2aze s PRO 868 CO -0.00 -0.69 1.25 -1.25 0.04 0.00 0.00 177.00 176.35 2aze s PRO 869 N -2.36 2.19 -0.17 0.56 0.04 -1.26 -4.94 135.00 129.06 2aze s PRO 869 Ca 0.59 1.91 -0.29 0.00 0.04 0.00 0.00 61.00 63.24 2aze s PRO 869 Cb -0.42 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 2aze s PRO 869 CO 0.54 -1.84 1.49 -1.59 0.04 0.00 0.00 177.00 175.64 2aze s LYS 870 N -3.72 4.04 -0.32 4.56 -2.85 -1.26 -4.96 119.74 115.23 2aze s LYS 870 Ca 0.78 1.76 -0.29 0.00 -1.00 0.00 0.00 55.97 57.22 2aze s LYS 870 Cb -0.33 -3.93 -0.01 0.00 -2.06 0.00 0.00 37.83 31.51 2aze s LYS 870 CO 0.44 -0.98 1.53 -2.14 0.10 0.00 0.00 175.35 174.29 2aze s PRO 871 N 4.10 3.65 0.00 1.78 0.02 -1.26 -5.36 135.00 137.93 2aze s PRO 871 Ca 0.65 1.29 0.27 0.00 0.02 0.00 0.00 61.00 63.23 2aze s PRO 871 Cb -0.25 -4.04 0.82 0.00 0.02 0.00 0.00 34.50 31.05 2aze s PRO 871 CO 0.24 -1.47 1.62 1.28 -0.33 0.00 0.00 177.00 178.34