#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1in1 n SER 836 N 0.00 0.00 -0.26 1.61 7.64 -1.26 -4.91 113.62 116.45 1in1 n SER 836 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 1in1 n SER 836 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1in1 n SER 836 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1in1 n ALA 837 N -3.00 -0.39 -0.33 -0.43 0.00 -1.26 0.18 120.51 115.28 1in1 n ALA 837 Ca 0.00 0.52 0.27 0.00 0.00 0.00 0.00 53.44 54.23 1in1 n ALA 837 Cb 0.00 0.07 0.51 0.00 0.00 0.00 0.00 19.45 20.03 1in1 n ALA 837 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1in1 h ASP 838 N 0.00 0.45 0.59 0.00 2.03 -1.94 4.66 116.42 122.21 1in1 h ASP 838 Ca 0.10 0.21 -0.21 0.00 -0.73 0.00 0.00 57.03 56.40 1in1 h ASP 838 Cb 0.25 0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 38.92 1in1 h ASP 838 CO -0.58 -0.23 -0.92 -0.33 -1.03 0.00 0.00 179.24 176.16 1in1 h GLU 839 N 0.22 0.21 0.00 4.15 4.39 0.16 -2.47 114.58 121.24 1in1 h GLU 839 Ca 0.77 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 60.23 1in1 h GLU 839 Cb 1.86 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.59 1in1 h GLU 839 CO -0.65 0.99 -0.23 2.41 -1.16 0.00 0.00 179.01 180.37 1in1 n THR 840 N -3.64 0.61 0.00 1.13 -1.04 0.54 -4.09 114.28 107.80 1in1 n THR 840 Ca -0.04 0.38 0.00 0.00 -2.04 0.00 0.00 64.05 62.35 1in1 n THR 840 Cb 0.83 -1.89 0.00 0.00 -1.82 0.00 0.00 70.33 67.46 1in1 n THR 840 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1in1 n LEU 841 N -3.28 0.00 0.00 -4.42 -0.00 1.41 -2.32 117.00 108.39 1in1 n LEU 841 Ca -0.03 0.25 0.00 0.00 -0.00 0.00 0.00 56.01 56.23 1in1 n LEU 841 Cb 0.12 -0.25 0.00 0.00 -0.00 0.00 0.00 43.42 43.29 1in1 n LEU 841 CO 0.05 -0.25 0.49 0.00 -0.00 0.00 0.00 177.39 177.67 1in1 n GLN 843 N -1.27 3.34 -3.08 0.00 6.02 -0.98 -5.00 117.38 116.41 1in1 n GLN 843 Ca 0.00 -4.11 -0.00 0.00 -0.01 0.00 0.00 57.00 52.88 1in1 n GLN 843 Cb 0.20 -2.27 -0.00 0.00 1.02 0.00 0.00 30.24 29.19 1in1 n GLN 843 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1in1 n THR 844 N -0.64 -3.69 -0.10 5.09 -1.04 0.10 0.49 114.28 114.49 1in1 n THR 844 Ca 0.46 0.70 0.00 0.00 -2.04 0.00 0.00 64.05 63.17 1in1 n THR 844 Cb 0.74 -3.62 0.00 0.00 -1.82 0.00 0.00 70.33 65.64 1in1 n THR 844 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1in1 n LYS 845 N 1.43 0.00 0.00 -2.82 4.01 -1.24 -4.43 118.16 115.11 1in1 n LYS 845 Ca -0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.78 1in1 n LYS 845 Cb 0.35 -1.89 0.00 0.00 -0.51 0.00 0.00 35.03 32.98 1in1 n LYS 845 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 1in1 n VAL 846 N -0.38 0.00 0.00 -0.18 0.24 0.18 -4.62 118.33 113.57 1in1 n VAL 846 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1in1 n VAL 846 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1in1 n VAL 846 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1in1 n LEU 847 N 0.00 0.00 0.00 1.34 7.99 -1.26 -5.03 117.00 120.04 1in1 n LEU 847 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1in1 n LEU 847 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1in1 n LEU 847 CO 0.00 0.00 0.00 0.18 -1.51 0.00 0.00 177.39 176.06 1in1 n LEU 848 N 0.00 0.00 -2.34 2.23 4.77 -1.26 -4.50 117.00 115.90 1in1 n LEU 848 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1in1 n LEU 848 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 1in1 n LEU 848 CO 0.00 0.00 1.43 0.47 -1.33 0.00 0.00 177.39 177.96 1in1 n ASP 849 N -0.81 3.72 0.00 -1.43 9.92 -1.23 -4.49 116.55 122.22 1in1 n ASP 849 Ca 0.00 -2.17 0.00 0.00 -0.53 0.00 0.00 54.79 52.09 1in1 n ASP 849 Cb 0.00 -0.95 0.00 0.00 -0.64 0.00 0.00 41.12 39.53 1in1 n ASP 849 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1in1 n ILE 850 N 2.90 0.00 -0.15 0.53 -0.00 -0.92 0.85 119.36 122.56 1in1 n ILE 850 Ca 0.31 0.50 -0.08 0.00 -0.00 0.00 0.00 62.75 63.48 1in1 n ILE 850 Cb 0.52 -1.03 0.04 0.00 -0.00 0.00 0.00 39.64 39.17 1in1 n ILE 850 CO 0.00 0.00 0.00 0.49 -0.00 0.00 0.00 176.55 177.04 1in1 n PHE 851 N -0.78 0.89 -0.60 1.39 3.01 -1.26 0.55 117.46 120.67 1in1 n PHE 851 Ca 0.00 -1.21 -0.28 0.00 1.01 0.00 0.00 57.45 56.97 1in1 n PHE 851 Cb 0.00 -0.60 -0.06 0.00 -0.01 0.00 0.00 39.48 38.81 1in1 n PHE 851 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1in1 n THR 852 N 0.40 0.00 -3.48 4.37 5.66 -1.25 -0.26 114.28 119.72 1in1 n THR 852 Ca 0.17 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.98 1in1 n THR 852 Cb 0.70 -0.24 0.01 0.00 -1.55 0.00 0.00 70.33 69.25 1in1 n THR 852 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1in1 n GLY 853 N 3.50 -1.05 3.29 1.09 0.00 -1.24 -4.83 105.19 105.96 1in1 n GLY 853 Ca 0.26 0.73 -0.25 0.00 0.00 0.00 0.00 46.02 46.76 1in1 n GLY 853 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1in1 s VAL 854 N -2.70 1.75 -0.72 1.61 1.01 0.64 -4.95 120.40 117.05 1in1 s VAL 854 Ca 0.09 -1.50 0.01 0.00 0.00 0.00 0.00 61.98 60.57 1in1 s VAL 854 Cb -0.01 -1.58 0.37 0.00 0.00 0.00 0.00 36.38 35.16 1in1 s VAL 854 CO 0.85 0.00 1.68 0.54 0.00 0.00 0.00 175.10 178.17 1in1 n ARG 855 N 1.21 3.15 -2.55 2.72 5.12 -1.26 -0.97 116.66 124.08 1in1 n ARG 855 Ca -0.19 -3.95 -0.43 0.00 -1.93 0.00 0.00 57.85 51.35 1in1 n ARG 855 Cb 0.53 -2.27 -0.02 0.00 -1.16 0.00 0.00 32.46 29.54 1in1 n ARG 855 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1in1 s LEU 856 N -3.90 3.90 -0.96 0.55 2.96 -1.20 1.80 118.68 121.82 1in1 s LEU 856 Ca 0.50 1.08 -0.23 0.00 -0.22 0.00 0.00 54.13 55.25 1in1 s LEU 856 Cb 0.41 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.61 1in1 s LEU 856 CO -0.32 -0.98 1.39 -0.47 -1.32 0.00 0.00 176.35 174.66 1in1 s TYR 857 N 3.97 2.52 -0.37 5.38 5.04 0.90 -4.41 117.35 130.38 1in1 s TYR 857 Ca 0.50 -0.73 -0.29 0.00 -2.44 0.00 0.00 57.07 54.11 1in1 s TYR 857 Cb -0.14 -4.66 0.00 0.00 0.35 0.00 0.00 41.96 37.52 1in1 s TYR 857 CO 0.19 -1.93 1.51 -1.17 -1.34 0.00 0.00 175.55 172.81 1in1 s LEU 858 N 4.97 3.60 0.49 6.97 2.96 -1.26 0.11 118.68 136.51 1in1 s LEU 858 Ca 0.43 1.01 -0.21 0.00 -0.22 0.00 0.00 54.13 55.14 1in1 s LEU 858 Cb -0.02 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.06 1in1 s LEU 858 CO -0.05 -1.47 1.09 -2.16 -1.32 0.00 0.00 176.35 172.44 1in1 s PRO 859 N 5.05 3.70 0.50 0.98 0.04 -1.26 -4.90 135.00 139.11 1in1 s PRO 859 Ca 0.66 1.54 0.31 0.00 0.04 0.00 0.00 61.00 63.55 1in1 s PRO 859 Cb -0.17 -2.18 1.13 0.00 0.04 0.00 0.00 34.50 33.32 1in1 s PRO 859 CO 0.32 -0.55 1.89 -1.00 0.04 0.00 0.00 177.00 177.70 1in1 h PRO 860 N 1.66 0.00 0.00 0.56 0.13 -1.99 -2.35 132.00 130.01 1in1 h PRO 860 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1in1 h PRO 860 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1in1 h PRO 860 CO 0.59 0.00 -0.12 0.43 -0.23 0.00 0.00 178.00 178.67 1in1 n SER 861 N -3.01 0.27 -4.76 1.44 7.64 -1.26 -4.83 113.62 109.10 1in1 n SER 861 Ca 0.01 0.36 -0.39 0.00 1.01 0.00 0.00 58.87 59.87 1in1 n SER 861 Cb 0.35 -0.38 -0.05 0.00 -1.01 0.00 0.00 64.21 63.11 1in1 n SER 861 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1in1 s THR 862 N -3.03 3.71 0.71 0.44 2.01 -0.89 -5.03 115.64 113.57 1in1 s THR 862 Ca 0.12 1.61 -0.12 0.00 0.31 0.00 0.00 61.69 63.61 1in1 s THR 862 Cb 0.17 -3.98 0.02 0.00 0.01 0.00 0.00 72.50 68.73 1in1 s THR 862 CO 0.58 0.29 1.08 -2.16 -0.69 0.00 0.00 174.62 173.72 1in1 s PRO 863 N -1.67 2.71 -0.14 4.92 0.04 -1.26 -3.06 135.00 136.55 1in1 s PRO 863 Ca 0.47 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1in1 s PRO 863 Cb -0.28 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1in1 s PRO 863 CO 0.35 -1.29 0.00 -0.25 0.04 0.00 0.00 177.00 175.85 1in1 n ASP 864 N -3.06 -5.91 -0.31 6.66 8.00 -1.26 -4.82 116.55 115.84 1in1 n ASP 864 Ca 0.09 0.03 -0.03 0.00 0.71 0.00 0.00 54.79 55.59 1in1 n ASP 864 Cb 0.53 -3.53 0.03 0.00 -0.02 0.00 0.00 41.12 38.13 1in1 n ASP 864 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1in1 h PHE 865 N 0.00 -1.00 -0.32 1.24 3.57 -1.88 0.29 116.94 118.84 1in1 h PHE 865 Ca -0.03 0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.59 1in1 h PHE 865 Cb 1.01 0.56 -0.04 0.00 2.79 0.00 0.00 35.95 40.27 1in1 h PHE 865 CO 0.62 -0.39 -0.19 0.43 -2.23 0.00 0.00 178.31 176.54 1in1 n SER 866 N -5.46 -0.34 -0.04 0.41 7.64 -1.26 -0.02 113.62 114.55 1in1 n SER 866 Ca 0.08 0.67 -0.06 0.00 1.01 0.00 0.00 58.87 60.57 1in1 n SER 866 Cb 0.38 -0.12 -0.05 0.00 -1.01 0.00 0.00 64.21 63.41 1in1 n SER 866 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1in1 h ARG 867 N 0.00 -0.04 -0.40 1.43 -0.00 -1.56 -3.10 114.38 110.71 1in1 h ARG 867 Ca 0.05 0.00 0.10 0.00 -0.50 0.00 0.00 59.98 59.63 1in1 h ARG 867 Cb 0.13 0.01 -0.08 0.00 0.00 0.00 0.00 29.97 30.04 1in1 h ARG 867 CO -0.30 0.32 -0.04 1.28 0.00 0.00 0.00 179.97 181.22 1in1 n LEU 868 N -4.75 -0.09 0.00 3.04 4.77 0.88 0.24 117.00 121.09 1in1 n LEU 868 Ca -0.04 0.69 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 1in1 n LEU 868 Cb 0.18 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1in1 n LEU 868 CO 0.14 -0.68 0.01 -1.14 -1.33 0.00 0.00 177.39 174.38 1in1 n ARG 869 N -4.52 0.00 -0.17 3.23 0.63 0.96 -1.21 116.66 115.59 1in1 n ARG 869 Ca 0.08 0.00 0.15 0.00 -0.92 0.00 0.00 57.85 57.16 1in1 n ARG 869 Cb 0.26 -0.14 0.28 0.00 0.45 0.00 0.00 32.46 33.31 1in1 n ARG 869 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1in1 n ARG 870 N -0.08 -0.03 0.00 -0.14 3.00 -0.98 0.17 116.66 118.60 1in1 n ARG 870 Ca 0.00 0.72 0.00 0.00 -0.00 0.00 0.00 57.85 58.57 1in1 n ARG 870 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 32.46 31.19 1in1 n ARG 870 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.63 178.61 1in1 n TYR 871 N -4.22 0.00 0.00 -0.14 4.19 0.66 -2.09 117.16 115.57 1in1 n TYR 871 Ca 0.19 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.40 1in1 n TYR 871 Cb 0.63 -0.47 0.00 0.00 0.49 0.00 0.00 39.34 39.99 1in1 n TYR 871 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1in1 n PHE 872 N -1.90 0.00 -0.43 2.98 -0.00 0.13 0.12 117.46 118.36 1in1 n PHE 872 Ca 0.00 0.00 0.34 0.00 -0.00 0.00 0.00 57.45 57.79 1in1 n PHE 872 Cb 0.00 0.00 0.55 0.00 -0.00 0.00 0.00 39.48 40.03 1in1 n PHE 872 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.76 178.31 1in1 n VAL 873 N -0.39 -0.11 0.20 -2.13 3.14 -0.99 0.51 118.33 118.56 1in1 n VAL 873 Ca 0.00 1.27 -0.08 0.00 -2.96 0.00 0.00 64.34 62.57 1in1 n VAL 873 Cb 0.00 -2.09 -0.04 0.00 -1.06 0.00 0.00 33.84 30.65 1in1 n VAL 873 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1in1 h ALA 874 N 1.02 -1.03 -0.18 1.55 0.00 0.15 -2.98 119.26 117.79 1in1 h ALA 874 Ca 0.68 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.53 1in1 h ALA 874 Cb 2.43 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 20.38 1in1 h ALA 874 CO -0.22 -0.99 0.00 1.19 0.00 0.00 0.00 179.25 179.23 1in1 n PHE 875 N -3.52 0.11 0.00 0.00 3.01 0.18 -4.39 117.46 112.85 1in1 n PHE 875 Ca -0.06 0.22 0.00 0.00 1.01 0.00 0.00 57.45 58.61 1in1 n PHE 875 Cb 0.20 -0.63 0.00 0.00 -0.01 0.00 0.00 39.48 39.04 1in1 n PHE 875 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1in1 n ASP 876 N -4.00 0.00 -0.48 4.37 8.00 -1.13 -4.79 116.55 118.51 1in1 n ASP 876 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1in1 n ASP 876 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1in1 n ASP 876 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1in1 n GLY 877 N 0.00 1.45 3.52 0.44 0.00 -1.18 -3.70 105.19 105.72 1in1 n GLY 877 Ca 0.00 -1.62 -0.15 0.00 0.00 0.00 0.00 46.02 44.26 1in1 n GLY 877 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1in1 s ASP 878 N -1.00 -0.55 -0.08 1.61 1.01 -0.14 -4.67 116.67 112.84 1in1 s ASP 878 Ca 0.00 0.48 0.02 0.00 0.71 0.00 0.00 52.55 53.76 1in1 s ASP 878 Cb 0.00 0.48 0.02 0.00 1.01 0.00 0.00 42.92 44.43 1in1 s ASP 878 CO 0.00 -0.60 -0.12 -0.76 0.21 0.00 0.00 175.17 173.90 1in1 s LEU 879 N -1.50 1.58 -0.12 1.23 1.43 -1.26 -3.33 118.68 116.71 1in1 s LEU 879 Ca -0.06 -0.33 -0.06 0.00 -1.03 0.00 0.00 54.13 52.65 1in1 s LEU 879 Cb -0.00 -0.90 -0.04 0.00 0.03 0.00 0.00 46.19 45.28 1in1 s LEU 879 CO 0.03 0.00 0.09 -0.69 0.23 0.00 0.00 176.35 176.02 1in1 s VAL 880 N 0.93 5.11 0.19 -1.59 1.01 -1.26 -4.99 120.40 119.80 1in1 s VAL 880 Ca -0.09 0.06 -0.31 0.00 0.00 0.00 0.00 61.98 61.64 1in1 s VAL 880 Cb -0.15 -3.21 -0.10 0.00 0.00 0.00 0.00 36.38 32.92 1in1 s VAL 880 CO 0.00 0.60 1.50 -1.10 0.00 0.00 0.00 175.10 176.11 1in1 s GLN 881 N -0.84 4.24 0.00 2.72 -0.21 -0.71 -4.57 119.66 120.30 1in1 s GLN 881 Ca 0.13 2.31 -0.01 0.00 0.02 0.00 0.00 55.36 57.82 1in1 s GLN 881 Cb -0.12 -3.15 -0.00 0.00 1.00 0.00 0.00 33.01 30.74 1in1 s GLN 881 CO 0.03 -0.52 0.35 -1.91 -2.12 0.00 0.00 175.29 171.11 1in1 n GLU 882 N 3.37 -0.01 0.00 2.91 2.13 -1.26 0.80 120.64 128.57 1in1 n GLU 882 Ca 0.11 0.34 0.00 0.00 0.66 0.00 0.00 57.16 58.27 1in1 n GLU 882 Cb 0.39 -0.52 0.00 0.00 0.27 0.00 0.00 31.44 31.59 1in1 n GLU 882 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 1in1 n PHE 883 N -2.48 0.00 -3.35 4.31 -1.74 -1.26 -3.99 117.46 108.95 1in1 n PHE 883 Ca 0.00 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.75 1in1 n PHE 883 Cb 0.01 -0.02 -0.08 0.00 1.52 0.00 0.00 39.48 40.91 1in1 n PHE 883 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1in1 s ASP 884 N -0.99 1.07 0.00 5.98 1.01 4.26 -4.95 116.67 123.04 1in1 s ASP 884 Ca 0.00 -0.84 0.00 0.00 0.71 0.00 0.00 52.55 52.42 1in1 s ASP 884 Cb 0.00 0.75 0.00 0.00 1.01 0.00 0.00 42.92 44.68 1in1 s ASP 884 CO 0.00 -0.34 0.00 1.15 0.21 0.00 0.00 175.17 176.19 1in1 n MET 885 N 5.04 0.00 0.00 8.23 0.00 -1.24 -1.73 117.12 127.42 1in1 n MET 885 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.72 1in1 n MET 885 Cb 0.47 -0.28 0.00 0.00 0.00 0.00 0.00 33.22 33.41 1in1 n MET 885 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1in1 n THR 886 N -1.07 0.00 0.86 3.17 -2.24 -1.26 1.35 114.28 115.09 1in1 n THR 886 Ca 0.00 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 1in1 n THR 886 Cb 0.00 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.32 1in1 n THR 886 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1in1 n SER 887 N -2.46 0.66 -2.04 3.42 7.64 -1.26 -4.90 113.62 114.69 1in1 n SER 887 Ca 0.00 -0.42 0.00 0.00 1.01 0.00 0.00 58.87 59.46 1in1 n SER 887 Cb 0.00 0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1in1 n SER 887 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1in1 n ALA 888 N -1.60 0.00 0.00 -0.43 0.00 12.55 -5.02 120.51 126.01 1in1 n ALA 888 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1in1 n ALA 888 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1in1 n ALA 888 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1in1 n THR 889 N -0.00 0.00 -4.66 0.00 5.66 -1.23 -4.87 114.28 109.17 1in1 n THR 889 Ca 0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 1in1 n THR 889 Cb 0.00 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.65 1in1 n THR 889 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1in1 s HIS 890 N -0.95 2.45 -0.11 1.09 3.76 24.01 0.24 115.29 145.79 1in1 s HIS 890 Ca 0.00 -0.32 -0.04 0.00 -0.15 0.00 0.00 55.06 54.55 1in1 s HIS 890 Cb 0.00 -1.40 0.05 0.00 1.11 0.00 0.00 32.58 32.34 1in1 s HIS 890 CO 0.00 0.24 0.21 0.14 -0.85 0.00 0.00 174.74 174.48 1in1 s VAL 891 N -0.93 -0.30 -0.11 -0.90 -7.23 0.58 0.31 120.40 111.82 1in1 s VAL 891 Ca 0.14 0.30 -0.30 0.00 -1.81 0.00 0.00 61.98 60.31 1in1 s VAL 891 Cb -0.10 -0.37 -0.03 0.00 0.56 0.00 0.00 36.38 36.45 1in1 s VAL 891 CO 0.05 0.12 1.25 -0.22 -0.31 0.00 0.00 175.10 175.99 1in1 s LEU 892 N 2.20 4.23 0.05 1.32 0.20 0.29 -2.02 118.68 124.96 1in1 s LEU 892 Ca 0.00 1.78 0.00 0.00 0.69 0.00 0.00 54.13 56.60 1in1 s LEU 892 Cb -0.12 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.09 1in1 s LEU 892 CO -0.07 -0.68 0.00 0.61 -0.29 0.00 0.00 176.35 175.91 1in1 n GLY 893 N 3.52 -2.52 0.00 7.98 0.00 0.21 -4.58 105.19 109.80 1in1 n GLY 893 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1in1 n GLY 893 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1in1 n SER 894 N 1.84 0.00 0.00 1.61 7.64 -1.26 -5.00 113.62 118.45 1in1 n SER 894 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1in1 n SER 894 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1in1 n SER 894 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1in1 n ARG 895 N -1.02 0.00 0.00 1.43 1.85 -1.26 -4.60 116.66 113.05 1in1 n ARG 895 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1in1 n ARG 895 Cb 0.00 -0.39 0.00 0.00 -1.05 0.00 0.00 32.46 31.02 1in1 n ARG 895 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1in1 n ASP 896 N -0.72 0.00 -0.37 2.89 2.03 -1.26 0.72 116.55 119.85 1in1 n ASP 896 Ca 0.00 0.00 0.30 0.00 0.52 0.00 0.00 54.79 55.61 1in1 n ASP 896 Cb 0.00 0.00 0.48 0.00 -0.72 0.00 0.00 41.12 40.88 1in1 n ASP 896 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1in1 n LYS 897 N -0.76 -0.01 -3.18 -0.67 -0.00 -1.26 -3.18 118.16 109.10 1in1 n LYS 897 Ca 0.00 0.78 0.02 0.00 -0.00 0.00 0.00 58.31 59.11 1in1 n LYS 897 Cb 0.00 -1.62 -0.01 0.00 -0.00 0.00 0.00 35.03 33.40 1in1 n LYS 897 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1in1 s ASN 898 N -4.21 -1.49 0.00 -5.58 2.47 3.57 -4.35 114.94 105.35 1in1 s ASN 898 Ca -0.04 -0.13 0.18 0.00 0.42 0.00 0.00 52.86 53.29 1in1 s ASN 898 Cb 0.19 1.96 0.77 0.00 -1.45 0.00 0.00 41.25 42.73 1in1 s ASN 898 CO 0.55 -0.27 1.58 -0.81 -3.72 0.00 0.00 177.10 174.43 1in1 n PRO 899 N 5.13 0.00 0.00 0.43 -0.04 -1.04 -1.91 135.00 137.57 1in1 n PRO 899 Ca 0.07 0.19 0.13 0.00 -0.04 0.00 0.00 63.50 63.84 1in1 n PRO 899 Cb 0.55 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.89 1in1 n PRO 899 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1in1 n ALA 900 N -1.50 3.05 -2.30 0.55 0.00 -1.26 -4.90 120.51 114.15 1in1 n ALA 900 Ca 0.04 -0.41 -0.08 0.00 0.00 0.00 0.00 53.44 52.99 1in1 n ALA 900 Cb 0.21 -1.13 0.04 0.00 0.00 0.00 0.00 19.45 18.57 1in1 n ALA 900 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1in1 n ALA 901 N -0.57 0.03 -2.80 0.00 0.00 -0.80 -4.69 120.51 111.67 1in1 n ALA 901 Ca 0.13 -0.67 -0.35 0.00 0.00 0.00 0.00 53.44 52.55 1in1 n ALA 901 Cb 0.35 0.10 -0.09 0.00 0.00 0.00 0.00 19.45 19.81 1in1 n ALA 901 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1in1 s GLN 902 N -3.36 3.59 -1.21 0.00 -1.52 0.65 -4.79 119.66 113.02 1in1 s GLN 902 Ca 0.23 -0.31 -0.08 0.00 -1.95 0.00 0.00 55.36 53.25 1in1 s GLN 902 Cb -0.01 -3.09 0.21 0.00 -0.22 0.00 0.00 33.01 29.90 1in1 s GLN 902 CO 0.15 0.50 1.74 1.04 -0.25 0.00 0.00 175.29 178.48 1in1 n GLN 903 N 2.81 3.91 -2.32 2.91 6.02 -1.24 0.22 117.38 129.69 1in1 n GLN 903 Ca -0.18 -3.87 -0.25 0.00 -0.01 0.00 0.00 57.00 52.69 1in1 n GLN 903 Cb 0.53 -2.79 0.08 0.00 1.02 0.00 0.00 30.24 29.08 1in1 n GLN 903 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1in1 s VAL 904 N -0.67 2.30 0.04 5.09 -7.23 -0.86 -3.24 120.40 115.84 1in1 s VAL 904 Ca 0.37 -0.37 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 1in1 s VAL 904 Cb 0.08 -2.93 -0.00 0.00 0.56 0.00 0.00 36.38 34.09 1in1 s VAL 904 CO 0.04 0.00 0.00 -0.24 -0.31 0.00 0.00 175.10 174.59 1in1 n SER 905 N -2.88 1.72 0.15 4.85 2.88 -1.26 0.65 113.62 119.73 1in1 n SER 905 Ca 0.10 -1.21 0.00 0.00 -1.33 0.00 0.00 58.87 56.43 1in1 n SER 905 Cb 0.60 0.06 0.20 0.00 -0.75 0.00 0.00 64.21 64.32 1in1 n SER 905 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1in1 h PRO 906 N 0.00 0.00 0.00 -1.46 0.13 -1.99 -2.79 132.00 125.89 1in1 h PRO 906 Ca -0.04 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.04 1in1 h PRO 906 Cb 0.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.24 1in1 h PRO 906 CO 0.06 0.57 -0.25 0.93 -0.23 0.00 0.00 178.00 179.08 1in1 h GLU 907 N 0.00 0.00 0.52 0.86 5.08 -1.97 -3.24 114.58 115.83 1in1 h GLU 907 Ca -0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1in1 h GLU 907 Cb 1.05 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.31 1in1 h GLU 907 CO 0.07 0.25 -0.25 2.35 -1.00 0.00 0.00 179.01 180.43 1in1 h TRP 908 N 0.00 -0.65 -0.44 4.33 7.01 -1.83 -1.82 115.95 122.54 1in1 h TRP 908 Ca -0.00 -0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.05 1in1 h TRP 908 Cb 0.87 0.21 -0.09 0.00 -2.10 0.00 0.00 29.16 28.06 1in1 h TRP 908 CO 0.00 -0.34 -0.50 0.82 -2.79 0.00 0.00 178.44 175.64 1in1 h ILE 909 N -0.86 0.05 -0.05 2.65 2.04 -1.63 1.34 117.51 121.05 1in1 h ILE 909 Ca -0.07 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.80 1in1 h ILE 909 Cb 0.60 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 1in1 h ILE 909 CO 0.12 0.00 -0.22 -0.50 0.00 0.00 0.00 178.15 177.54 1in1 h TRP 910 N -0.34 -0.67 -0.60 1.37 -0.00 -1.60 8.72 115.95 122.83 1in1 h TRP 910 Ca 0.11 0.02 0.12 0.00 -0.00 0.00 0.00 58.89 59.15 1in1 h TRP 910 Cb 0.59 0.30 -0.10 0.00 -0.00 0.00 0.00 29.16 29.94 1in1 h TRP 910 CO -0.69 -0.23 0.00 0.00 -0.00 0.00 0.00 178.44 177.52 1in1 h ALA 911 N -0.97 0.59 -0.02 1.49 0.00 -0.75 0.32 119.26 119.91 1in1 h ALA 911 Ca 0.01 0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1in1 h ALA 911 Cb 0.28 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1in1 h ALA 911 CO -0.18 -0.39 -0.55 0.00 0.00 0.00 0.00 179.25 178.14 1in1 h ILE 913 N 0.05 0.04 -0.26 0.00 2.04 2.25 -2.44 117.51 119.18 1in1 h ILE 913 Ca -0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 1in1 h ILE 913 Cb 0.98 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1in1 h ILE 913 CO 0.07 0.00 -0.05 -0.09 0.00 0.00 0.00 178.15 178.09 1in1 h ARG 914 N -1.17 0.48 0.00 2.37 1.12 -1.15 -2.37 114.38 113.67 1in1 h ARG 914 Ca -0.10 -0.18 0.00 0.00 -1.11 0.00 0.00 59.98 58.59 1in1 h ARG 914 Cb 0.94 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.87 1in1 h ARG 914 CO 0.09 0.69 0.39 1.63 -3.11 0.00 0.00 179.97 179.67 1in1 n LYS 915 N -4.56 0.05 -0.82 0.20 4.76 -0.17 -4.67 118.16 112.95 1in1 n LYS 915 Ca -0.04 0.44 0.00 0.00 -2.87 0.00 0.00 58.31 55.85 1in1 n LYS 915 Cb 0.29 -2.05 0.00 0.00 -1.84 0.00 0.00 35.03 31.43 1in1 n LYS 915 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1in1 n ARG 916 N -1.74 -0.62 -1.32 1.97 5.12 -0.89 -4.86 116.66 114.31 1in1 n ARG 916 Ca -0.00 0.15 0.00 0.00 -1.93 0.00 0.00 57.85 56.07 1in1 n ARG 916 Cb 0.40 -4.09 0.00 0.00 -1.16 0.00 0.00 32.46 27.62 1in1 n ARG 916 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1in1 n ARG 917 N -1.22 0.00 -3.35 5.56 0.00 0.25 -2.17 116.66 115.73 1in1 n ARG 917 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.47 1in1 n ARG 917 Cb 0.15 0.00 -0.06 0.00 -0.00 0.00 0.00 32.46 32.55 1in1 n ARG 917 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1in1 s LEU 918 N 0.00 4.34 0.00 2.89 2.01 0.19 -4.03 118.68 124.07 1in1 s LEU 918 Ca 0.00 0.87 0.00 0.00 0.01 0.00 0.00 54.13 55.01 1in1 s LEU 918 Cb 0.00 -2.68 0.00 0.00 0.01 0.00 0.00 46.19 43.52 1in1 s LEU 918 CO 0.00 0.09 0.00 1.33 1.01 0.00 0.00 176.35 178.78 1in1 n VAL 919 N 3.14 0.00 -2.17 -1.59 0.24 -1.26 -5.02 118.33 111.67 1in1 n VAL 919 Ca -0.09 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.78 1in1 n VAL 919 Cb 0.52 -0.52 -0.02 0.00 -1.47 0.00 0.00 33.84 32.34 1in1 n VAL 919 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1in1 s ALA 920 N -2.00 3.16 0.07 2.33 0.00 -1.26 -4.96 121.76 119.09 1in1 s ALA 920 Ca 0.00 0.27 -0.31 0.00 0.00 0.00 0.00 51.96 51.92 1in1 s ALA 920 Cb 0.00 -3.89 -0.06 0.00 0.00 0.00 0.00 23.12 19.16 1in1 s ALA 920 CO 0.00 -2.15 1.27 -1.25 0.00 0.00 0.00 175.76 173.63 1in1 s PRO 921 N 4.87 4.38 0.00 0.00 0.04 -1.26 -4.87 135.00 138.16 1in1 s PRO 921 Ca 0.70 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.61 1in1 s PRO 921 Cb -0.21 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 30.99 1in1 s PRO 921 CO 0.30 -0.34 0.00 0.00 0.04 0.00 0.00 177.00 177.00