#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 -4.12 -0.33 1.61 7.64 -1.26 -4.85 113.62 112.32 1in1 n SER 836 Ca 0.00 0.08 0.12 0.00 1.01 0.00 0.00 58.87 60.08 1in1 n SER 836 Cb 0.00 -1.91 0.34 0.00 -1.01 0.00 0.00 64.21 61.63 1in1 n SER 836 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1in1 h ALA 837 N 0.00 1.74 -0.34 -0.43 0.00 -1.99 0.96 119.26 119.20 1in1 h ALA 837 Ca -0.07 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1in1 h ALA 837 Cb 0.46 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1in1 h ALA 837 CO 0.10 -0.04 0.00 -0.40 0.00 0.00 0.00 179.25 178.91 1in1 n ASP 838 N -4.65 2.06 -0.00 0.00 5.75 -1.26 -2.31 116.55 116.13 1in1 n ASP 838 Ca 0.21 -1.93 0.09 0.00 -0.01 0.00 0.00 54.79 53.15 1in1 n ASP 838 Cb 0.52 -0.23 -0.13 0.00 -1.03 0.00 0.00 41.12 40.25 1in1 n ASP 838 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1in1 n GLU 839 N 0.61 0.71 0.00 0.11 1.02 0.33 -4.32 120.64 119.09 1in1 n GLU 839 Ca 0.14 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1in1 n GLU 839 Cb 0.34 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 1in1 n GLU 839 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1in1 n THR 840 N -1.77 0.00 0.22 2.62 5.66 -0.86 -4.79 114.28 115.35 1in1 n THR 840 Ca 0.00 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.13 1in1 n THR 840 Cb 0.39 -0.40 0.68 0.00 -1.55 0.00 0.00 70.33 69.44 1in1 n THR 840 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1in1 h LEU 841 N 0.00 0.00 -0.28 1.09 7.12 -1.74 -2.06 115.31 119.44 1in1 h LEU 841 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1in1 h LEU 841 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1in1 h LEU 841 CO 0.00 0.00 0.34 0.00 -0.13 0.00 0.00 178.44 178.65 1in1 n GLN 843 N -1.55 4.57 0.00 0.00 1.13 -0.78 -4.92 117.38 115.85 1in1 n GLN 843 Ca -0.00 -4.32 0.00 0.00 -1.94 0.00 0.00 57.00 50.74 1in1 n GLN 843 Cb 0.34 -2.40 0.00 0.00 0.11 0.00 0.00 30.24 28.29 1in1 n GLN 843 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1in1 n THR 844 N -0.21 0.00 -0.27 5.09 -1.04 -0.63 -2.17 114.28 115.05 1in1 n THR 844 Ca 0.49 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.50 1in1 n THR 844 Cb 0.26 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 1in1 n THR 844 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1in1 n LYS 845 N 0.00 1.40 0.00 -2.82 3.00 -1.24 -4.98 118.16 113.53 1in1 n LYS 845 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1in1 n LYS 845 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 35.03 34.91 1in1 n LYS 845 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1in1 n VAL 846 N 0.00 0.00 0.00 3.15 0.24 -0.92 -4.60 118.33 116.20 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 -0.67 1.34 7.99 -1.26 -4.90 117.00 119.50 1in1 n LEU 847 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 56.01 56.08 1in1 n LEU 847 Cb 0.00 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.27 1in1 n LEU 847 CO 0.00 0.00 -0.25 0.18 -1.51 0.00 0.00 177.39 175.81 1in1 n LEU 848 N 0.00 -0.44 -2.76 2.23 4.77 -1.26 -4.21 117.00 115.33 1in1 n LEU 848 Ca 0.00 1.01 -0.27 0.00 -0.03 0.00 0.00 56.01 56.72 1in1 n LEU 848 Cb 0.00 -1.86 -0.09 0.00 -2.33 0.00 0.00 43.42 39.14 1in1 n LEU 848 CO 0.00 -1.23 2.64 0.47 -1.33 0.00 0.00 177.39 177.94 1in1 n ASP 849 N -3.24 7.23 0.00 -1.43 9.92 -1.26 -4.64 116.55 123.12 1in1 n ASP 849 Ca -0.03 -2.53 0.00 0.00 -0.53 0.00 0.00 54.79 51.71 1in1 n ASP 849 Cb 0.31 -1.49 0.00 0.00 -0.64 0.00 0.00 41.12 39.30 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 3.13 0.00 0.00 0.53 2.08 -1.26 -3.40 119.36 120.44 1in1 n ILE 850 Ca 0.63 0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.96 1in1 n ILE 850 Cb 0.52 -0.08 0.00 0.00 -0.75 0.00 0.00 39.64 39.33 1in1 n ILE 850 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 1in1 n PHE 851 N 0.00 0.00 -1.39 1.39 3.72 -1.26 -2.27 117.46 117.65 1in1 n PHE 851 Ca 0.00 0.00 -0.50 0.00 -0.05 0.00 0.00 57.45 56.90 1in1 n PHE 851 Cb 0.00 -0.21 -0.13 0.00 -0.94 0.00 0.00 39.48 38.20 1in1 n PHE 851 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1in1 n THR 852 N 1.73 0.01 -1.07 4.37 5.66 -1.26 0.41 114.28 124.13 1in1 n THR 852 Ca 0.00 -0.04 -0.02 0.00 -3.05 0.00 0.00 64.05 60.93 1in1 n THR 852 Cb 0.00 -0.64 -0.01 0.00 -1.55 0.00 0.00 70.33 68.13 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 6.93 0.31 3.54 1.09 0.00 -1.22 -4.91 105.19 110.94 1in1 n GLY 853 Ca 0.59 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.37 4.03 -0.91 1.61 1.01 1.34 -4.83 120.40 121.27 1in1 s VAL 854 Ca 0.00 0.44 -0.18 0.00 0.00 0.00 0.00 61.98 62.24 1in1 s VAL 854 Cb 0.00 -4.75 0.14 0.00 0.00 0.00 0.00 36.38 31.77 1in1 s VAL 854 CO 0.00 -1.49 1.07 0.00 0.00 0.00 0.00 175.10 174.68 1in1 s ARG 855 N 4.90 3.60 -0.12 2.72 1.70 -1.26 -3.82 118.95 126.66 1in1 s ARG 855 Ca 0.35 -1.86 -0.05 0.00 -0.47 0.00 0.00 55.73 53.71 1in1 s ARG 855 Cb -0.10 -4.84 -0.04 0.00 -0.57 0.00 0.00 34.95 29.40 1in1 s ARG 855 CO 0.19 -1.70 0.05 -0.48 -1.08 0.00 0.00 175.30 172.27 1in1 s LEU 856 N 2.33 3.82 -0.63 -1.89 0.05 -1.11 2.14 118.68 123.39 1in1 s LEU 856 Ca 0.30 0.20 -0.27 0.00 0.05 0.00 0.00 54.13 54.41 1in1 s LEU 856 Cb -0.06 -1.91 0.01 0.00 -2.05 0.00 0.00 46.19 42.18 1in1 s LEU 856 CO -0.09 0.33 1.49 -0.47 -0.55 0.00 0.00 176.35 177.05 1in1 s TYR 857 N -0.55 2.13 -0.43 3.48 5.04 1.41 -4.32 117.35 124.11 1in1 s TYR 857 Ca 0.10 0.39 -0.28 0.00 -2.44 0.00 0.00 57.07 54.84 1in1 s TYR 857 Cb -0.12 -4.39 0.02 0.00 0.35 0.00 0.00 41.96 37.83 1in1 s TYR 857 CO 0.02 -2.10 1.04 -1.17 -1.34 0.00 0.00 175.55 172.00 1in1 s LEU 858 N 6.70 3.83 0.45 6.97 2.96 -1.26 0.20 118.68 138.53 1in1 s LEU 858 Ca 0.51 0.48 -0.23 0.00 -0.22 0.00 0.00 54.13 54.68 1in1 s LEU 858 Cb -0.11 -3.41 -0.08 0.00 0.50 0.00 0.00 46.19 43.10 1in1 s LEU 858 CO 0.21 -1.08 1.10 -2.16 -1.32 0.00 0.00 176.35 173.10 1in1 s PRO 859 N 4.00 3.87 0.42 0.98 0.04 -1.26 -4.87 135.00 138.17 1in1 s PRO 859 Ca 0.43 1.61 0.23 0.00 0.04 0.00 0.00 61.00 63.31 1in1 s PRO 859 Cb -0.09 -2.37 0.82 0.00 0.04 0.00 0.00 34.50 32.89 1in1 s PRO 859 CO 0.26 -0.42 1.78 -1.00 0.04 0.00 0.00 177.00 177.66 1in1 h PRO 860 N 2.05 0.00 0.00 0.56 0.13 -1.99 -2.50 132.00 130.26 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 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1in1 h PRO 860 CO 0.60 0.25 0.00 0.43 -0.23 0.00 0.00 178.00 179.06 1in1 n SER 861 N -3.38 0.76 -4.77 1.44 7.64 -1.26 -4.82 113.62 109.23 1in1 n SER 861 Ca 0.00 0.59 -0.39 0.00 1.01 0.00 0.00 58.87 60.08 1in1 n SER 861 Cb 0.46 -0.79 -0.01 0.00 -1.01 0.00 0.00 64.21 62.87 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 -3.13 2.75 0.45 0.44 2.01 -0.94 -4.99 115.64 112.23 1in1 s THR 862 Ca 0.10 0.67 -0.23 0.00 0.31 0.00 0.00 61.69 62.54 1in1 s THR 862 Cb 0.12 -3.40 -0.08 0.00 0.01 0.00 0.00 72.50 69.16 1in1 s THR 862 CO 0.56 0.10 1.10 -2.16 -0.69 0.00 0.00 174.62 173.53 1in1 s PRO 863 N -2.20 3.87 -0.56 4.92 0.04 -1.26 -2.79 135.00 137.02 1in1 s PRO 863 Ca 0.56 1.61 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1in1 s PRO 863 Cb -0.37 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 31.80 1in1 s PRO 863 CO 0.47 -0.42 0.00 -3.47 0.04 0.00 0.00 177.00 173.62 1in1 n ASP 864 N -0.48 -5.09 -0.33 6.66 -0.08 -1.26 -4.86 116.55 111.10 1in1 n ASP 864 Ca 0.07 0.13 -0.02 0.00 -1.51 0.00 0.00 54.79 53.46 1in1 n ASP 864 Cb 0.49 -3.06 0.03 0.00 2.34 0.00 0.00 41.12 40.93 1in1 n ASP 864 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1in1 h PHE 865 N 0.00 -1.05 -0.12 -0.67 3.57 -1.85 0.20 116.94 117.02 1in1 h PHE 865 Ca -0.11 0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1in1 h PHE 865 Cb 0.83 0.59 -0.01 0.00 2.79 0.00 0.00 35.95 40.14 1in1 h PHE 865 CO 0.45 -0.40 -0.07 0.45 -2.23 0.00 0.00 178.31 176.51 1in1 n SER 866 N -5.46 -0.13 0.01 0.41 2.88 -1.26 0.01 113.62 110.07 1in1 n SER 866 Ca 0.08 0.58 -0.13 0.00 -1.33 0.00 0.00 58.87 58.08 1in1 n SER 866 Cb 0.39 -0.21 -0.10 0.00 -0.75 0.00 0.00 64.21 63.54 1in1 n SER 866 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1in1 h ARG 867 N 0.00 -0.04 -0.66 -1.46 2.47 -1.65 -3.18 114.38 109.86 1in1 h ARG 867 Ca 0.02 0.00 0.16 0.00 -1.26 0.00 0.00 59.98 58.90 1in1 h ARG 867 Cb 0.05 0.01 -0.12 0.00 -1.65 0.00 0.00 29.97 28.25 1in1 h ARG 867 CO -0.11 0.40 -0.08 1.28 0.56 0.00 0.00 179.97 182.02 1in1 n LEU 868 N -4.89 -0.16 0.00 3.04 4.77 0.63 0.16 117.00 120.55 1in1 n LEU 868 Ca -0.08 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.03 1in1 n LEU 868 Cb 0.24 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1in1 n LEU 868 CO 0.33 -1.11 0.03 -1.14 -1.33 0.00 0.00 177.39 174.16 1in1 n ARG 869 N -4.99 0.00 -0.35 3.23 3.00 0.10 -1.26 116.66 116.39 1in1 n ARG 869 Ca 0.13 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.90 1in1 n ARG 869 Cb 0.41 -0.44 -0.06 0.00 0.00 0.00 0.00 32.46 32.37 1in1 n ARG 869 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1in1 n ARG 870 N -0.07 -0.34 0.00 -0.14 3.00 -0.98 -1.33 116.66 116.80 1in1 n ARG 870 Ca 0.00 1.30 0.00 0.00 -0.00 0.00 0.00 57.85 59.15 1in1 n ARG 870 Cb 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 32.46 30.55 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 -5.11 0.00 0.00 -0.14 9.36 0.43 0.14 117.16 121.84 1in1 n TYR 871 Ca 0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.25 1in1 n TYR 871 Cb 0.25 -0.36 0.00 0.00 -0.63 0.00 0.00 39.34 38.60 1in1 n TYR 871 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1in1 n PHE 872 N -2.31 0.00 -0.21 2.98 -0.00 -0.39 -0.02 117.46 117.52 1in1 n PHE 872 Ca 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 57.45 57.64 1in1 n PHE 872 Cb 0.00 0.00 0.32 0.00 -0.00 0.00 0.00 39.48 39.80 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 0.00 -0.16 -0.21 -2.13 3.14 -0.90 0.47 118.33 118.54 1in1 n VAL 873 Ca 0.00 0.95 -0.06 0.00 -2.96 0.00 0.00 64.34 62.27 1in1 n VAL 873 Cb 0.00 -1.55 0.04 0.00 -1.06 0.00 0.00 33.84 31.27 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 0.87 0.77 -0.89 1.55 0.00 0.37 -2.16 119.26 119.77 1in1 h ALA 874 Ca 0.44 -0.05 0.24 0.00 0.00 0.00 0.00 54.91 55.53 1in1 h ALA 874 Cb 1.31 -0.25 -0.14 0.00 0.00 0.00 0.00 17.79 18.72 1in1 h ALA 874 CO -0.29 0.22 0.32 0.74 0.00 0.00 0.00 179.25 180.24 1in1 h PHE 875 N 0.82 0.51 0.00 0.00 -1.00 1.44 -3.43 116.94 115.28 1in1 h PHE 875 Ca 0.22 0.05 0.00 0.00 2.81 0.00 0.00 57.97 61.05 1in1 h PHE 875 Cb -0.08 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 39.40 1in1 h PHE 875 CO -0.03 -0.15 0.00 -0.25 -1.61 0.00 0.00 178.31 176.27 1in1 n ASP 876 N -5.15 0.00 0.00 2.17 8.00 -0.83 -4.81 116.55 115.94 1in1 n ASP 876 Ca 0.23 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1in1 n ASP 876 Cb 0.71 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.81 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 2.85 3.37 0.44 0.00 -1.11 -3.42 105.19 107.32 1in1 n GLY 877 Ca 0.00 -1.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.42 -0.40 -0.08 1.61 1.01 -1.25 -4.67 116.67 112.47 1in1 s ASP 878 Ca 0.00 -0.12 0.00 0.00 0.71 0.00 0.00 52.55 53.14 1in1 s ASP 878 Cb 0.00 0.53 0.02 0.00 1.01 0.00 0.00 42.92 44.48 1in1 s ASP 878 CO 0.00 -0.88 -0.06 -0.76 0.21 0.00 0.00 175.17 173.68 1in1 s LEU 879 N -2.67 1.13 -0.11 1.23 1.43 -1.26 -2.75 118.68 115.69 1in1 s LEU 879 Ca 0.01 -0.22 -0.03 0.00 -1.03 0.00 0.00 54.13 52.86 1in1 s LEU 879 Cb 0.00 -0.67 -0.03 0.00 0.03 0.00 0.00 46.19 45.52 1in1 s LEU 879 CO -0.11 -0.10 0.03 -0.69 0.23 0.00 0.00 176.35 175.71 1in1 s VAL 880 N 1.48 4.54 0.19 -1.59 1.01 -1.26 -4.97 120.40 119.80 1in1 s VAL 880 Ca -0.01 -0.15 -0.31 0.00 0.00 0.00 0.00 61.98 61.51 1in1 s VAL 880 Cb -0.13 -2.94 -0.10 0.00 0.00 0.00 0.00 36.38 33.20 1in1 s VAL 880 CO -0.04 0.58 1.52 -1.10 0.00 0.00 0.00 175.10 176.06 1in1 s GLN 881 N -0.67 4.23 0.00 2.72 -0.21 -0.71 -4.40 119.66 120.62 1in1 s GLN 881 Ca 0.11 2.34 0.00 0.00 0.02 0.00 0.00 55.36 57.83 1in1 s GLN 881 Cb -0.12 -3.14 0.00 0.00 1.00 0.00 0.00 33.01 30.75 1in1 s GLN 881 CO 0.02 -0.54 0.28 -1.91 -2.12 0.00 0.00 175.29 171.02 1in1 n GLU 882 N 3.37 0.00 0.00 2.91 2.13 -1.26 0.76 120.64 128.55 1in1 n GLU 882 Ca 0.11 0.28 0.00 0.00 0.66 0.00 0.00 57.16 58.21 1in1 n GLU 882 Cb 0.39 -0.43 0.00 0.00 0.27 0.00 0.00 31.44 31.68 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 -2.02 0.00 -3.32 4.31 1.16 -1.26 -3.89 117.46 112.43 1in1 n PHE 883 Ca 0.00 -0.01 -0.12 0.00 -1.87 0.00 0.00 57.45 55.45 1in1 n PHE 883 Cb 0.00 -0.03 -0.06 0.00 -1.61 0.00 0.00 39.48 37.77 1in1 n PHE 883 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1in1 s ASP 884 N -0.62 0.56 0.18 5.98 1.01 3.90 -4.98 116.67 122.70 1in1 s ASP 884 Ca 0.00 -1.21 0.00 0.00 0.71 0.00 0.00 52.55 52.05 1in1 s ASP 884 Cb 0.00 0.91 0.00 0.00 1.01 0.00 0.00 42.92 44.84 1in1 s ASP 884 CO 0.00 -0.26 0.00 1.15 0.21 0.00 0.00 175.17 176.27 1in1 n MET 885 N 4.50 0.00 0.00 8.23 0.00 -1.24 -1.75 117.12 126.86 1in1 n MET 885 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.79 1in1 n MET 885 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.70 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 -2.99 0.00 0.72 3.17 -2.24 -1.26 1.31 114.28 113.00 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 0.06 0.00 -2.10 0.00 0.00 70.33 68.29 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 0.00 0.64 -3.69 3.42 7.64 -1.26 -4.86 113.62 115.52 1in1 n SER 887 Ca 0.00 -0.31 -0.15 0.00 1.01 0.00 0.00 58.87 59.42 1in1 n SER 887 Cb 0.00 0.67 0.10 0.00 -1.01 0.00 0.00 64.21 63.97 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 -1.71 0.37 0.00 -0.43 0.00 11.89 -4.99 120.51 125.65 1in1 n ALA 888 Ca 0.03 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1in1 n ALA 888 Cb 0.40 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 -3.95 0.00 -4.35 0.00 5.66 -0.97 -4.63 114.28 106.04 1in1 n THR 889 Ca 0.04 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.85 1in1 n THR 889 Cb 0.29 -0.59 -0.10 0.00 -1.55 0.00 0.00 70.33 68.38 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 -1.78 1.70 -0.15 1.09 3.76 36.23 -1.63 115.29 154.50 1in1 s HIS 890 Ca 0.00 -0.63 -0.06 0.00 -0.15 0.00 0.00 55.06 54.22 1in1 s HIS 890 Cb 0.00 -0.84 0.07 0.00 1.11 0.00 0.00 32.58 32.92 1in1 s HIS 890 CO 0.00 0.30 0.32 0.14 -0.85 0.00 0.00 174.74 174.65 1in1 s VAL 891 N -3.04 -0.37 -0.16 -0.90 -7.23 0.78 0.42 120.40 109.90 1in1 s VAL 891 Ca 0.23 0.21 -0.29 0.00 -1.81 0.00 0.00 61.98 60.32 1in1 s VAL 891 Cb 0.01 -0.51 -0.02 0.00 0.56 0.00 0.00 36.38 36.42 1in1 s VAL 891 CO 0.07 0.09 1.31 -0.22 -0.31 0.00 0.00 175.10 176.04 1in1 s LEU 892 N 2.16 4.18 0.12 1.32 0.20 0.54 -1.91 118.68 125.29 1in1 s LEU 892 Ca -0.03 1.72 0.00 0.00 0.69 0.00 0.00 54.13 56.51 1in1 s LEU 892 Cb -0.11 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.11 1in1 s LEU 892 CO -0.10 -0.80 0.00 0.61 -0.29 0.00 0.00 176.35 175.77 1in1 n GLY 893 N 3.71 -4.14 0.17 7.98 0.00 0.16 -4.57 105.19 108.50 1in1 n GLY 893 Ca 0.14 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 46.11 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 1.88 -0.98 0.00 1.61 7.64 -1.26 -4.98 113.62 117.52 1in1 n SER 894 Ca 0.00 0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1in1 n SER 894 Cb 0.00 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 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 -2.64 0.00 0.00 1.43 1.85 -1.26 -4.44 116.66 111.60 1in1 n ARG 895 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.84 1in1 n ARG 895 Cb 0.08 -0.35 0.00 0.00 -1.05 0.00 0.00 32.46 31.13 1in1 n ARG 895 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1in1 n ASP 896 N -0.56 0.00 -0.35 2.89 5.75 -1.26 0.70 116.55 123.71 1in1 n ASP 896 Ca 0.00 0.00 0.28 0.00 -0.01 0.00 0.00 54.79 55.06 1in1 n ASP 896 Cb 0.00 0.00 0.45 0.00 -1.03 0.00 0.00 41.12 40.54 1in1 n ASP 896 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1in1 n LYS 897 N -0.82 -0.01 -3.15 0.11 -0.00 -1.26 -3.21 118.16 109.82 1in1 n LYS 897 Ca 0.00 0.72 0.04 0.00 -0.00 0.00 0.00 58.31 59.07 1in1 n LYS 897 Cb 0.00 -1.52 -0.00 0.00 -0.00 0.00 0.00 35.03 33.51 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 -4.19 -1.48 0.07 -5.58 2.47 3.34 -4.06 114.94 105.52 1in1 s ASN 898 Ca -0.04 0.01 0.20 0.00 0.42 0.00 0.00 52.86 53.45 1in1 s ASN 898 Cb 0.18 1.92 0.82 0.00 -1.45 0.00 0.00 41.25 42.72 1in1 s ASN 898 CO 0.52 -0.25 1.62 -0.81 -3.72 0.00 0.00 177.10 174.46 1in1 n PRO 899 N 5.20 0.06 0.00 0.43 -0.04 -1.06 -2.00 135.00 137.59 1in1 n PRO 899 Ca 0.06 0.24 0.14 0.00 -0.04 0.00 0.00 63.50 63.91 1in1 n PRO 899 Cb 0.55 -1.61 0.63 0.00 -0.04 0.00 0.00 33.50 33.04 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 -1.58 2.62 -1.80 0.55 0.00 -1.26 -4.85 120.51 114.18 1in1 n ALA 900 Ca 0.04 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1in1 n ALA 900 Cb 0.23 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 -0.18 0.00 -3.02 0.00 0.00 -0.85 -4.69 120.51 111.77 1in1 n ALA 901 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.36 1in1 n ALA 901 Cb 0.29 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.58 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 2.65 2.09 -1.33 0.00 -1.52 -0.65 -4.77 119.66 116.14 1in1 s GLN 902 Ca 0.00 -0.67 -0.07 0.00 -1.95 0.00 0.00 55.36 52.68 1in1 s GLN 902 Cb 0.00 -1.74 0.12 0.00 -0.22 0.00 0.00 33.01 31.17 1in1 s GLN 902 CO 0.00 0.22 2.27 1.04 -0.25 0.00 0.00 175.29 178.57 1in1 n GLN 903 N 3.29 4.26 -2.08 2.91 6.02 -1.22 0.28 117.38 130.82 1in1 n GLN 903 Ca -0.19 -3.40 -0.27 0.00 -0.01 0.00 0.00 57.00 53.13 1in1 n GLN 903 Cb 0.53 -2.73 0.10 0.00 1.02 0.00 0.00 30.24 29.16 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 -0.49 2.12 0.00 5.09 -7.23 -0.80 -3.40 120.40 115.70 1in1 s VAL 904 Ca 0.51 -0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.52 1in1 s VAL 904 Cb 0.16 -2.97 0.00 0.00 0.56 0.00 0.00 36.38 34.13 1in1 s VAL 904 CO -0.06 0.00 0.00 -0.24 -0.31 0.00 0.00 175.10 174.49 1in1 n SER 905 N -3.21 1.09 0.20 4.85 2.88 -1.26 0.35 113.62 118.53 1in1 n SER 905 Ca 0.10 -0.77 0.08 0.00 -1.33 0.00 0.00 58.87 56.95 1in1 n SER 905 Cb 0.60 0.00 0.39 0.00 -0.75 0.00 0.00 64.21 64.45 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 -2.83 132.00 125.85 1in1 h PRO 906 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.98 1in1 h PRO 906 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1in1 h PRO 906 CO 0.00 0.29 -0.72 0.93 -0.23 0.00 0.00 178.00 178.27 1in1 h GLU 907 N 0.00 0.00 -0.23 0.86 5.08 -1.96 -3.17 114.58 115.17 1in1 h GLU 907 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1in1 h GLU 907 Cb 0.84 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1in1 h GLU 907 CO 0.04 0.72 -0.02 2.35 -1.00 0.00 0.00 179.01 181.10 1in1 h TRP 908 N 0.00 0.46 -0.12 4.33 7.01 -1.85 0.29 115.95 126.07 1in1 h TRP 908 Ca -0.01 -0.09 0.04 0.00 2.11 0.00 0.00 58.89 60.95 1in1 h TRP 908 Cb 1.34 -0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 28.23 1in1 h TRP 908 CO 0.00 0.61 -0.21 0.82 -2.79 0.00 0.00 178.44 176.87 1in1 h ILE 909 N 0.17 0.48 0.59 2.65 2.04 -1.57 1.07 117.51 122.95 1in1 h ILE 909 Ca 0.06 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 1in1 h ILE 909 Cb 0.44 0.48 0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1in1 h ILE 909 CO 0.02 0.00 -0.28 -0.50 0.00 0.00 0.00 178.15 177.38 1in1 h TRP 910 N -0.27 -0.73 -1.08 1.37 -0.00 -1.52 0.56 115.95 114.28 1in1 h TRP 910 Ca 0.10 -0.02 0.29 0.00 -0.00 0.00 0.00 58.89 59.26 1in1 h TRP 910 Cb 0.41 0.24 -0.10 0.00 -0.00 0.00 0.00 29.16 29.72 1in1 h TRP 910 CO -0.31 -0.46 0.70 0.00 -0.00 0.00 0.00 178.44 178.37 1in1 h ALA 911 N -1.57 2.33 -1.49 1.49 0.00 -0.83 0.68 119.26 119.87 1in1 h ALA 911 Ca -0.08 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1in1 h ALA 911 Cb 0.61 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1in1 h ALA 911 CO 0.13 -0.76 0.00 0.00 0.00 0.00 0.00 179.25 178.62 1in1 h ILE 913 N 0.00 0.11 0.03 0.00 2.10 0.39 2.34 117.51 122.48 1in1 h ILE 913 Ca 0.00 0.00 -0.26 0.00 1.08 0.00 0.00 64.86 65.68 1in1 h ILE 913 Cb 0.00 0.12 0.02 0.00 -1.09 0.00 0.00 36.82 35.86 1in1 h ILE 913 CO 0.00 0.00 -1.06 -0.09 -1.08 0.00 0.00 178.15 175.92 1in1 h ARG 914 N 0.00 0.57 -0.00 2.19 2.43 0.32 -3.07 114.38 116.83 1in1 h ARG 914 Ca 0.81 -0.66 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1in1 h ARG 914 Cb 3.33 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 33.07 1in1 h ARG 914 CO -0.01 1.26 -0.04 1.63 -1.51 0.00 0.00 179.97 181.30 1in1 n LYS 915 N -3.79 0.26 -0.65 0.20 4.76 0.75 -4.87 118.16 114.82 1in1 n LYS 915 Ca -0.10 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 1in1 n LYS 915 Cb 0.90 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.59 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 -1.35 -0.16 -3.67 1.97 3.00 0.11 -4.88 116.66 111.69 1in1 n ARG 916 Ca 0.11 0.04 -0.14 0.00 -0.01 0.00 0.00 57.85 57.85 1in1 n ARG 916 Cb 0.29 -4.10 -0.14 0.00 0.00 0.00 0.00 32.46 28.51 1in1 n ARG 916 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 1in1 s ARG 917 N -0.85 0.12 -0.12 5.56 3.03 -1.22 -4.03 118.95 121.44 1in1 s ARG 917 Ca 0.00 0.71 -0.31 0.00 2.03 0.00 0.00 55.73 58.16 1in1 s ARG 917 Cb 0.00 -0.08 -0.14 0.00 -1.03 0.00 0.00 34.95 33.69 1in1 s ARG 917 CO 0.00 -0.29 0.90 1.28 -1.13 0.00 0.00 175.30 176.06 1in1 n LEU 918 N 5.32 0.29 0.00 -1.89 7.99 -0.96 -4.76 117.00 122.99 1in1 n LEU 918 Ca -0.06 0.84 0.00 0.00 -0.01 0.00 0.00 56.01 56.78 1in1 n LEU 918 Cb 0.50 -0.65 0.00 0.00 -0.11 0.00 0.00 43.42 43.15 1in1 n LEU 918 CO 0.03 -1.12 0.00 1.33 -1.51 0.00 0.00 177.39 176.13 1in1 n VAL 919 N 1.69 0.00 -2.19 4.08 0.24 -1.26 -5.02 118.33 115.87 1in1 n VAL 919 Ca 0.17 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.04 1in1 n VAL 919 Cb 0.02 -0.94 -0.02 0.00 -1.47 0.00 0.00 33.84 31.43 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 3.18 0.07 2.33 0.00 -1.26 -4.97 121.76 119.11 1in1 s ALA 920 Ca 0.00 0.25 -0.31 0.00 0.00 0.00 0.00 51.96 51.90 1in1 s ALA 920 Cb 0.00 -3.88 -0.06 0.00 0.00 0.00 0.00 23.12 19.18 1in1 s ALA 920 CO 0.00 -2.12 1.27 -1.25 0.00 0.00 0.00 175.76 173.67 1in1 s PRO 921 N 4.80 4.38 0.00 0.00 0.04 -1.26 -4.91 135.00 138.06 1in1 s PRO 921 Ca 0.68 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.60 1in1 s PRO 921 Cb -0.21 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1in1 s PRO 921 CO 0.29 -0.34 0.00 0.00 0.04 0.00 0.00 177.00 176.99