#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 -0.11 1.61 7.64 -1.26 -4.98 113.62 116.52 1in1 n SER 836 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 1in1 n SER 836 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 -0.04 -0.17 -0.36 -0.43 0.00 -1.26 0.18 120.51 118.42 1in1 n ALA 837 Ca 0.00 0.23 0.29 0.00 0.00 0.00 0.00 53.44 53.96 1in1 n ALA 837 Cb 0.00 0.29 0.55 0.00 0.00 0.00 0.00 19.45 20.29 1in1 n ALA 837 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1in1 h ASP 838 N 0.00 0.40 0.86 0.00 5.19 -1.94 3.16 116.42 124.08 1in1 h ASP 838 Ca 0.04 0.18 -0.13 0.00 -0.62 0.00 0.00 57.03 56.50 1in1 h ASP 838 Cb 0.11 0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.75 1in1 h ASP 838 CO -0.25 -0.20 -0.63 -0.33 -3.12 0.00 0.00 179.24 174.72 1in1 h GLU 839 N 0.20 0.00 0.00 3.56 4.39 0.14 -2.08 114.58 120.79 1in1 h GLU 839 Ca 0.77 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 60.31 1in1 h GLU 839 Cb 2.03 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.66 1in1 h GLU 839 CO -0.57 0.63 -0.92 1.15 -1.16 0.00 0.00 179.01 178.14 1in1 h THR 840 N 0.00 1.06 0.00 1.13 2.02 1.16 -3.32 112.91 114.96 1in1 h THR 840 Ca -0.01 -2.14 0.00 0.00 0.77 0.00 0.00 66.41 65.03 1in1 h THR 840 Cb 1.22 2.35 0.00 0.00 -1.74 0.00 0.00 68.15 69.98 1in1 h THR 840 CO 0.08 0.36 0.00 0.18 0.37 0.00 0.00 175.52 176.51 1in1 n LEU 841 N -4.49 0.00 0.00 2.58 4.77 0.85 -2.86 117.00 117.86 1in1 n LEU 841 Ca -0.25 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1in1 n LEU 841 Cb 0.61 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1in1 n LEU 841 CO 0.22 -0.14 0.47 0.00 -1.33 0.00 0.00 177.39 176.61 1in1 n GLN 843 N -1.33 2.50 0.00 0.00 1.13 -1.14 -4.95 117.38 113.59 1in1 n GLN 843 Ca 0.00 -4.56 0.00 0.00 -1.94 0.00 0.00 57.00 50.50 1in1 n GLN 843 Cb 0.12 -2.33 0.00 0.00 0.11 0.00 0.00 30.24 28.14 1in1 n GLN 843 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 1in1 n THR 844 N 1.59 0.00 -1.76 5.09 5.66 -1.13 0.16 114.28 123.89 1in1 n THR 844 Ca 0.24 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.24 1in1 n THR 844 Cb 0.37 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.15 1in1 n THR 844 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1in1 n LYS 845 N 0.00 0.00 -1.42 1.09 4.01 -1.26 -4.97 118.16 115.61 1in1 n LYS 845 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1in1 n LYS 845 Cb 0.00 -0.09 0.00 0.00 -0.51 0.00 0.00 35.03 34.43 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 0.00 0.00 -2.98 -0.18 0.24 0.12 -4.79 118.33 110.75 1in1 n VAL 846 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.15 1in1 n VAL 846 Cb 0.24 -0.25 -0.01 0.00 -1.47 0.00 0.00 33.84 32.34 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 0.99 -1.68 -4.93 1.34 7.99 -1.26 -4.95 117.00 114.49 1in1 n LEU 847 Ca 0.00 -3.83 -0.29 0.00 -0.01 0.00 0.00 56.01 51.87 1in1 n LEU 847 Cb 0.00 0.72 0.16 0.00 -0.11 0.00 0.00 43.42 44.20 1in1 n LEU 847 CO 0.00 1.99 0.83 -0.76 -1.51 0.00 0.00 177.39 177.95 1in1 s LEU 848 N -0.51 2.70 -0.13 2.23 1.43 -1.26 -4.75 118.68 118.39 1in1 s LEU 848 Ca 0.33 0.32 -0.06 0.00 -1.03 0.00 0.00 54.13 53.69 1in1 s LEU 848 Cb 0.15 -2.48 -0.23 0.00 0.03 0.00 0.00 46.19 43.66 1in1 s LEU 848 CO -0.17 -2.50 3.31 0.47 0.23 0.00 0.00 176.35 177.70 1in1 n ASP 849 N -3.60 5.06 0.00 2.29 9.92 -1.26 -4.67 116.55 124.29 1in1 n ASP 849 Ca 0.14 -2.41 0.00 0.00 -0.53 0.00 0.00 54.79 51.99 1in1 n ASP 849 Cb 0.60 -1.31 0.00 0.00 -0.64 0.00 0.00 41.12 39.77 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 2.64 0.00 -0.03 0.53 2.08 -1.26 -4.03 119.36 119.29 1in1 n ILE 850 Ca 0.42 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.73 1in1 n ILE 850 Cb 0.79 -0.26 0.00 0.00 -0.75 0.00 0.00 39.64 39.42 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 -1.56 1.39 3.72 -1.26 -3.46 117.46 116.28 1in1 n PHE 851 Ca 0.00 -0.04 -0.53 0.00 -0.05 0.00 0.00 57.45 56.84 1in1 n PHE 851 Cb 0.00 -0.31 -0.07 0.00 -0.94 0.00 0.00 39.48 38.17 1in1 n PHE 851 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1in1 n THR 852 N 2.53 0.29 -1.37 4.37 -2.24 -1.26 0.28 114.28 116.89 1in1 n THR 852 Ca 0.00 -0.16 -0.10 0.00 -2.27 0.00 0.00 64.05 61.51 1in1 n THR 852 Cb 0.00 -1.54 -0.04 0.00 -2.10 0.00 0.00 70.33 66.65 1in1 n THR 852 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1in1 n GLY 853 N 5.48 0.91 3.78 3.38 0.00 -1.14 -4.89 105.19 112.71 1in1 n GLY 853 Ca 0.34 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.92 3.46 -0.49 1.61 1.01 0.14 -4.79 120.40 119.42 1in1 s VAL 854 Ca 0.00 0.72 0.05 0.00 0.00 0.00 0.00 61.98 62.75 1in1 s VAL 854 Cb 0.00 -3.24 0.39 0.00 0.00 0.00 0.00 36.38 33.53 1in1 s VAL 854 CO 0.00 -0.38 1.04 0.54 0.00 0.00 0.00 175.10 176.30 1in1 n ARG 855 N -2.07 3.28 -2.52 2.72 1.74 -1.26 -1.14 116.66 117.41 1in1 n ARG 855 Ca 0.10 -4.61 -0.43 0.00 -0.77 0.00 0.00 57.85 52.14 1in1 n ARG 855 Cb 0.52 -2.22 -0.02 0.00 -1.02 0.00 0.00 32.46 29.72 1in1 n ARG 855 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1in1 s LEU 856 N -3.49 3.92 -0.67 0.55 1.98 -1.22 1.55 118.68 121.30 1in1 s LEU 856 Ca 0.48 1.17 -0.27 0.00 -2.89 0.00 0.00 54.13 52.61 1in1 s LEU 856 Cb 0.35 -3.54 0.01 0.00 0.66 0.00 0.00 46.19 43.67 1in1 s LEU 856 CO -0.16 -0.97 1.52 -0.47 -1.89 0.00 0.00 176.35 174.38 1in1 s TYR 857 N 3.98 2.04 -0.46 5.38 5.04 0.77 -4.48 117.35 129.62 1in1 s TYR 857 Ca 0.51 0.32 -0.29 0.00 -2.44 0.00 0.00 57.07 55.18 1in1 s TYR 857 Cb -0.15 -4.40 0.03 0.00 0.35 0.00 0.00 41.96 37.79 1in1 s TYR 857 CO 0.19 -2.16 1.12 -1.17 -1.34 0.00 0.00 175.55 172.19 1in1 s LEU 858 N 7.07 3.68 0.48 6.97 2.96 -1.26 0.33 118.68 138.91 1in1 s LEU 858 Ca 0.49 0.52 -0.21 0.00 -0.22 0.00 0.00 54.13 54.71 1in1 s LEU 858 Cb -0.10 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 42.98 1in1 s LEU 858 CO 0.18 -1.21 1.09 -2.16 -1.32 0.00 0.00 176.35 172.94 1in1 s PRO 859 N 4.34 3.71 0.51 0.98 0.04 -1.26 -4.89 135.00 138.43 1in1 s PRO 859 Ca 0.47 1.55 0.31 0.00 0.04 0.00 0.00 61.00 63.37 1in1 s PRO 859 Cb -0.08 -2.20 1.13 0.00 0.04 0.00 0.00 34.50 33.39 1in1 s PRO 859 CO 0.30 -0.54 1.89 -1.00 0.04 0.00 0.00 177.00 177.69 1in1 h PRO 860 N 1.70 0.00 0.00 0.56 0.13 -1.98 -2.43 132.00 129.97 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 -0.25 0.77 -0.23 0.00 0.00 178.00 178.89 1in1 h SER 861 N 0.00 0.00 -3.77 1.44 0.02 -2.01 -3.46 113.55 105.77 1in1 h SER 861 Ca 0.00 -0.06 -0.52 0.00 -0.84 0.00 0.00 61.79 60.37 1in1 h SER 861 Cb 0.61 0.00 0.06 0.00 0.14 0.00 0.00 62.40 63.20 1in1 h SER 861 CO 0.00 0.03 0.64 -0.89 -1.14 0.00 0.00 176.83 175.47 1in1 s THR 862 N -3.16 2.84 0.55 -2.27 2.01 -0.92 -4.99 115.64 109.70 1in1 s THR 862 Ca 0.08 0.81 -0.18 0.00 0.31 0.00 0.00 61.69 62.71 1in1 s THR 862 Cb 0.11 -3.52 -0.06 0.00 0.01 0.00 0.00 72.50 69.05 1in1 s THR 862 CO 0.66 0.18 1.08 -2.16 -0.69 0.00 0.00 174.62 173.69 1in1 s PRO 863 N -1.42 3.43 0.00 4.92 0.04 -1.26 -2.93 135.00 137.78 1in1 s PRO 863 Ca 0.50 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1in1 s PRO 863 Cb -0.39 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1in1 s PRO 863 CO 0.49 -0.75 0.00 -0.25 0.04 0.00 0.00 177.00 176.53 1in1 n ASP 864 N -1.46 -3.24 -0.33 6.66 8.00 -1.26 -4.86 116.55 120.06 1in1 n ASP 864 Ca 0.10 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.66 1in1 n ASP 864 Cb 0.52 -1.79 0.14 0.00 -0.02 0.00 0.00 41.12 39.97 1in1 n ASP 864 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1in1 n PHE 865 N -2.36 0.36 0.00 1.24 7.35 -1.15 -0.38 117.46 122.52 1in1 n PHE 865 Ca 0.00 1.11 0.00 0.00 -0.76 0.00 0.00 57.45 57.80 1in1 n PHE 865 Cb 0.18 -1.05 0.00 0.00 0.35 0.00 0.00 39.48 38.96 1in1 n PHE 865 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1in1 n SER 866 N -5.47 0.00 -0.07 -2.13 7.64 -1.26 0.10 113.62 112.43 1in1 n SER 866 Ca 0.15 0.21 -0.15 0.00 1.01 0.00 0.00 58.87 60.10 1in1 n SER 866 Cb 0.48 -0.03 -0.05 0.00 -1.01 0.00 0.00 64.21 63.60 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 0.75 -0.75 1.43 3.08 -1.81 -3.22 114.38 113.86 1in1 h ARG 867 Ca 0.00 -0.49 0.16 0.00 0.07 0.00 0.00 59.98 59.73 1in1 h ARG 867 Cb 0.00 0.06 -0.14 0.00 0.08 0.00 0.00 29.97 29.97 1in1 h ARG 867 CO 0.00 1.11 -0.14 1.28 -1.07 0.00 0.00 179.97 181.15 1in1 n LEU 868 N -4.13 -0.23 0.00 3.04 4.77 0.49 0.23 117.00 121.18 1in1 n LEU 868 Ca -0.05 1.29 0.00 0.00 -0.03 0.00 0.00 56.01 57.22 1in1 n LEU 868 Cb 0.59 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1in1 n LEU 868 CO 0.48 -1.25 0.10 -1.14 -1.33 0.00 0.00 177.39 174.25 1in1 n ARG 869 N -5.18 0.00 -0.39 3.23 0.63 0.11 -1.87 116.66 113.19 1in1 n ARG 869 Ca 0.13 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.99 1in1 n ARG 869 Cb 0.43 -0.64 -0.05 0.00 0.45 0.00 0.00 32.46 32.64 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 -0.35 -0.35 -0.24 -0.14 3.00 -0.97 -0.60 116.66 117.01 1in1 n ARG 870 Ca 0.00 1.44 -0.08 0.00 -0.00 0.00 0.00 57.85 59.21 1in1 n ARG 870 Cb 0.00 -2.13 -0.07 0.00 0.00 0.00 0.00 32.46 30.26 1in1 n ARG 870 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.63 176.71 1in1 h TYR 871 N 0.00 -1.30 0.00 -0.14 3.20 0.28 1.21 116.97 120.22 1in1 h TYR 871 Ca 0.21 0.08 0.00 0.00 3.14 0.00 0.00 58.73 62.16 1in1 h TYR 871 Cb 0.45 0.64 0.00 0.00 1.54 0.00 0.00 36.73 39.36 1in1 h TYR 871 CO -0.93 -0.29 0.00 0.34 -1.64 0.00 0.00 178.16 175.64 1in1 n PHE 872 N -4.59 0.00 -0.18 -3.82 -0.00 0.23 -0.50 117.46 108.61 1in1 n PHE 872 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 57.45 57.62 1in1 n PHE 872 Cb 0.20 0.00 0.29 0.00 -0.00 0.00 0.00 39.48 39.97 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 0.24 -2.13 3.14 -0.95 0.25 118.33 118.73 1in1 n VAL 873 Ca 0.00 0.88 -0.16 0.00 -2.96 0.00 0.00 64.34 62.10 1in1 n VAL 873 Cb 0.00 -1.44 -0.08 0.00 -1.06 0.00 0.00 33.84 31.26 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 0.83 -0.85 -0.73 1.55 0.00 0.20 -2.28 119.26 117.98 1in1 h ALA 874 Ca 0.40 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.32 1in1 h ALA 874 Cb 1.15 0.56 -0.14 0.00 0.00 0.00 0.00 17.79 19.36 1in1 h ALA 874 CO -0.29 -1.01 -0.16 1.19 0.00 0.00 0.00 179.25 178.97 1in1 n PHE 875 N -5.49 0.29 0.00 0.00 3.01 0.71 -4.60 117.46 111.38 1in1 n PHE 875 Ca -0.10 0.89 0.00 0.00 1.01 0.00 0.00 57.45 59.25 1in1 n PHE 875 Cb 0.39 -0.94 0.00 0.00 -0.01 0.00 0.00 39.48 38.92 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 -5.17 0.00 0.00 4.37 8.00 -0.88 -4.78 116.55 118.09 1in1 n ASP 876 Ca 0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1in1 n ASP 876 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 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 1.95 3.49 0.44 0.00 -1.09 -2.88 105.19 107.09 1in1 n GLY 877 Ca 0.00 -1.84 -0.16 0.00 0.00 0.00 0.00 46.02 44.02 1in1 n GLY 877 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1in1 s ASP 878 N -0.97 -0.62 -0.14 1.61 2.15 -0.29 -4.61 116.67 113.80 1in1 s ASP 878 Ca 0.00 0.46 0.00 0.00 0.43 0.00 0.00 52.55 53.44 1in1 s ASP 878 Cb 0.00 0.56 0.02 0.00 -0.30 0.00 0.00 42.92 43.20 1in1 s ASP 878 CO 0.00 -0.73 -0.13 -0.76 -0.17 0.00 0.00 175.17 173.38 1in1 s LEU 879 N -1.75 1.59 -0.10 -1.34 1.43 -1.26 -3.40 118.68 113.84 1in1 s LEU 879 Ca -0.07 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.47 1in1 s LEU 879 Cb -0.00 -1.11 -0.05 0.00 0.03 0.00 0.00 46.19 45.05 1in1 s LEU 879 CO 0.02 -0.07 0.25 -0.69 0.23 0.00 0.00 176.35 176.09 1in1 s VAL 880 N 1.52 5.32 0.23 -1.59 1.01 -1.26 -4.96 120.40 120.67 1in1 s VAL 880 Ca 0.05 0.45 -0.31 0.00 0.00 0.00 0.00 61.98 62.17 1in1 s VAL 880 Cb -0.13 -3.54 -0.11 0.00 0.00 0.00 0.00 36.38 32.60 1in1 s VAL 880 CO -0.10 0.54 1.65 -1.10 0.00 0.00 0.00 175.10 176.09 1in1 s GLN 881 N -0.58 4.14 0.01 2.72 -0.21 -0.72 -4.57 119.66 120.45 1in1 s GLN 881 Ca 0.17 2.55 -0.01 0.00 0.02 0.00 0.00 55.36 58.08 1in1 s GLN 881 Cb -0.13 -3.07 -0.00 0.00 1.00 0.00 0.00 33.01 30.80 1in1 s GLN 881 CO 0.06 -0.68 0.39 -1.91 -2.12 0.00 0.00 175.29 171.03 1in1 n GLU 882 N 3.40 -0.02 0.00 2.91 2.13 -1.26 0.83 120.64 128.63 1in1 n GLU 882 Ca 0.13 0.39 0.00 0.00 0.66 0.00 0.00 57.16 58.34 1in1 n GLU 882 Cb 0.37 -0.58 0.00 0.00 0.27 0.00 0.00 31.44 31.49 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 -2.59 0.00 -3.44 4.31 -1.74 -1.26 -3.88 117.46 108.87 1in1 n PHE 883 Ca 0.00 0.00 -0.25 0.00 -0.56 0.00 0.00 57.45 56.64 1in1 n PHE 883 Cb 0.01 -0.01 -0.11 0.00 1.52 0.00 0.00 39.48 40.89 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 -1.45 2.44 0.00 5.98 1.01 4.58 -4.91 116.67 124.32 1in1 s ASP 884 Ca 0.00 -1.86 0.00 0.00 0.71 0.00 0.00 52.55 51.40 1in1 s ASP 884 Cb 0.00 -0.07 0.00 0.00 1.01 0.00 0.00 42.92 43.86 1in1 s ASP 884 CO 0.00 -0.31 0.00 1.15 0.21 0.00 0.00 175.17 176.22 1in1 n MET 885 N 4.28 0.00 0.00 8.23 0.00 -1.23 -1.75 117.12 126.65 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 0.40 -0.38 0.00 0.00 0.00 0.00 0.00 33.22 33.25 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 -0.92 0.00 0.68 3.17 -2.24 -1.26 1.26 114.28 114.97 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 0.04 0.00 -2.10 0.00 0.00 70.33 68.27 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 -2.60 0.64 -2.64 3.42 7.64 -1.26 -4.93 113.62 113.89 1in1 n SER 887 Ca 0.00 -0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.57 1in1 n SER 887 Cb 0.00 0.75 0.00 0.00 -1.01 0.00 0.00 64.21 63.95 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 -1.74 0.00 0.00 -0.43 0.00 10.91 -5.01 120.51 124.24 1in1 n ALA 888 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1in1 n ALA 888 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.41 0.00 -4.39 0.00 5.66 -1.23 -4.83 114.28 109.07 1in1 n THR 889 Ca 0.00 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.72 1in1 n THR 889 Cb 0.00 -0.00 -0.12 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 -1.08 2.34 -0.10 1.09 3.76 17.03 -0.41 115.29 137.91 1in1 s HIS 890 Ca 0.00 -0.36 -0.04 0.00 -0.15 0.00 0.00 55.06 54.51 1in1 s HIS 890 Cb 0.00 -1.23 0.05 0.00 1.11 0.00 0.00 32.58 32.51 1in1 s HIS 890 CO 0.00 0.39 0.21 0.14 -0.85 0.00 0.00 174.74 174.63 1in1 s VAL 891 N -1.22 -0.20 -0.17 -0.90 -7.23 0.62 0.27 120.40 111.56 1in1 s VAL 891 Ca 0.16 0.24 -0.29 0.00 -1.81 0.00 0.00 61.98 60.28 1in1 s VAL 891 Cb -0.10 -0.36 -0.00 0.00 0.56 0.00 0.00 36.38 36.49 1in1 s VAL 891 CO 0.07 0.10 1.10 -0.22 -0.31 0.00 0.00 175.10 175.84 1in1 s LEU 892 N 1.83 4.17 0.08 1.32 0.20 0.99 -1.69 118.68 125.57 1in1 s LEU 892 Ca -0.03 1.52 0.00 0.00 0.69 0.00 0.00 54.13 56.31 1in1 s LEU 892 Cb -0.11 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.10 1in1 s LEU 892 CO -0.07 -0.63 0.00 0.61 -0.29 0.00 0.00 176.35 175.96 1in1 n GLY 893 N 3.34 -3.65 0.01 7.98 0.00 0.69 -4.53 105.19 109.03 1in1 n GLY 893 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 1.86 -0.04 0.00 1.61 7.64 -1.26 -4.99 113.62 118.43 1in1 n SER 894 Ca 0.00 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1in1 n SER 894 Cb 0.00 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 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 -2.40 0.00 0.00 1.43 1.85 -1.26 -4.47 116.66 111.81 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 -0.77 0.00 -0.32 2.89 2.03 -1.26 0.70 116.55 119.82 1in1 n ASP 896 Ca 0.00 0.00 0.26 0.00 0.52 0.00 0.00 54.79 55.57 1in1 n ASP 896 Cb 0.00 0.00 0.43 0.00 -0.72 0.00 0.00 41.12 40.83 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 -0.69 -0.02 -3.17 -0.67 -0.00 -1.26 -3.17 118.16 109.19 1in1 n LYS 897 Ca 0.00 0.74 0.02 0.00 -0.00 0.00 0.00 58.31 59.07 1in1 n LYS 897 Cb 0.00 -1.50 -0.01 0.00 -0.00 0.00 0.00 35.03 33.52 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 -4.29 -1.49 0.03 -5.58 2.47 3.37 -4.36 114.94 105.08 1in1 s ASN 898 Ca -0.04 -0.08 0.19 0.00 0.42 0.00 0.00 52.86 53.34 1in1 s ASN 898 Cb 0.18 1.97 0.79 0.00 -1.45 0.00 0.00 41.25 42.74 1in1 s ASN 898 CO 0.51 -0.27 1.59 -0.81 -3.72 0.00 0.00 177.10 174.40 1in1 n PRO 899 N 5.17 0.03 0.00 0.43 -0.04 -1.07 -1.93 135.00 137.58 1in1 n PRO 899 Ca 0.06 0.21 0.13 0.00 -0.04 0.00 0.00 63.50 63.87 1in1 n PRO 899 Cb 0.54 -1.54 0.45 0.00 -0.04 0.00 0.00 33.50 32.91 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 -1.53 2.93 -1.53 0.55 0.00 -1.26 -4.87 120.51 114.80 1in1 n ALA 900 Ca 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1in1 n ALA 900 Cb 0.22 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 -0.55 0.00 -3.17 0.00 0.00 -0.81 -4.68 120.51 111.29 1in1 n ALA 901 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.32 1in1 n ALA 901 Cb 0.34 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.62 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 1.81 1.85 -1.33 0.00 -1.52 0.45 -4.77 119.66 116.15 1in1 s GLN 902 Ca 0.00 -0.55 -0.09 0.00 -1.95 0.00 0.00 55.36 52.78 1in1 s GLN 902 Cb 0.00 -1.54 0.13 0.00 -0.22 0.00 0.00 33.01 31.38 1in1 s GLN 902 CO 0.00 0.14 2.10 1.04 -0.25 0.00 0.00 175.29 178.33 1in1 n GLN 903 N 3.46 3.83 -2.28 2.91 6.02 -1.22 0.23 117.38 130.33 1in1 n GLN 903 Ca -0.20 -3.36 -0.25 0.00 -0.01 0.00 0.00 57.00 53.18 1in1 n GLN 903 Cb 0.53 -2.87 0.07 0.00 1.02 0.00 0.00 30.24 28.99 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 0.29 2.31 0.00 5.09 -7.23 -0.68 -3.40 120.40 116.77 1in1 s VAL 904 Ca 0.46 -0.34 0.00 0.00 -1.81 0.00 0.00 61.98 60.29 1in1 s VAL 904 Cb 0.13 -2.97 0.00 0.00 0.56 0.00 0.00 36.38 34.10 1in1 s VAL 904 CO -0.03 0.00 0.00 -0.24 -0.31 0.00 0.00 175.10 174.52 1in1 n SER 905 N -2.87 1.11 0.16 4.85 2.88 -1.26 -0.22 113.62 118.27 1in1 n SER 905 Ca 0.09 -0.89 0.02 0.00 -1.33 0.00 0.00 58.87 56.76 1in1 n SER 905 Cb 0.60 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 64.31 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 -0.02 -1.46 0.13 -1.99 -2.89 132.00 125.77 1in1 h PRO 906 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 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 0.50 -0.56 0.93 -0.23 0.00 0.00 178.00 178.64 1in1 h GLU 907 N 0.00 0.07 -0.23 0.86 5.08 -1.99 -2.90 114.58 115.47 1in1 h GLU 907 Ca -0.00 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1in1 h GLU 907 Cb 1.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1in1 h GLU 907 CO 0.06 0.61 -0.08 2.35 -1.00 0.00 0.00 179.01 180.95 1in1 h TRP 908 N 0.05 0.53 -0.19 4.33 7.01 -1.86 -0.24 115.95 125.59 1in1 h TRP 908 Ca -0.00 -0.12 0.04 0.00 2.11 0.00 0.00 58.89 60.91 1in1 h TRP 908 Cb 1.01 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.90 1in1 h TRP 908 CO 0.01 0.72 -0.07 0.82 -2.79 0.00 0.00 178.44 177.12 1in1 h ILE 909 N 0.19 0.76 0.81 2.65 2.04 -1.49 1.22 117.51 123.69 1in1 h ILE 909 Ca 0.06 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.88 1in1 h ILE 909 Cb 0.56 0.76 0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1in1 h ILE 909 CO 0.03 0.00 -0.39 -0.50 0.00 0.00 0.00 178.15 177.29 1in1 h TRP 910 N -0.03 -1.00 -0.63 1.37 -0.00 -1.47 0.29 115.95 114.47 1in1 h TRP 910 Ca 0.10 -0.02 0.13 0.00 -0.00 0.00 0.00 58.89 59.09 1in1 h TRP 910 Cb 0.18 0.33 -0.04 0.00 -0.00 0.00 0.00 29.16 29.64 1in1 h TRP 910 CO -0.23 -0.61 0.43 0.00 -0.00 0.00 0.00 178.44 178.03 1in1 h ALA 911 N -1.04 2.19 -1.68 1.49 0.00 -0.87 0.49 119.26 119.84 1in1 h ALA 911 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1in1 h ALA 911 Cb 0.84 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1in1 h ALA 911 CO 0.18 -0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.08 1in1 h ILE 913 N 0.00 0.29 0.00 0.00 2.10 -0.37 2.40 117.51 121.93 1in1 h ILE 913 Ca 0.00 -0.10 -0.06 0.00 1.08 0.00 0.00 64.86 65.78 1in1 h ILE 913 Cb 0.00 -0.03 -0.01 0.00 -1.09 0.00 0.00 36.82 35.69 1in1 h ILE 913 CO 0.00 0.05 -0.29 -0.09 -1.08 0.00 0.00 178.15 176.74 1in1 h ARG 914 N 0.30 0.00 -0.04 2.19 2.43 -0.10 -1.63 114.38 117.53 1in1 h ARG 914 Ca 0.71 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.88 1in1 h ARG 914 Cb 1.59 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.14 1in1 h ARG 914 CO -0.62 0.29 0.00 1.63 -1.51 0.00 0.00 179.97 179.76 1in1 n LYS 915 N -3.83 1.92 -0.57 0.20 4.76 0.77 -4.90 118.16 116.52 1in1 n LYS 915 Ca -0.01 -1.34 0.00 0.00 -2.87 0.00 0.00 58.31 54.09 1in1 n LYS 915 Cb 0.38 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.10 1in1 n LYS 915 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1in1 n ARG 916 N 0.62 -1.28 -3.67 1.97 0.00 0.11 -4.82 116.66 109.58 1in1 n ARG 916 Ca 0.17 0.22 -0.11 0.00 -0.00 0.00 0.00 57.85 58.13 1in1 n ARG 916 Cb 0.44 -3.94 -0.12 0.00 0.00 0.00 0.00 32.46 28.85 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 -1.13 0.23 -0.41 -0.14 1.04 -1.18 -4.28 118.95 113.08 1in1 s ARG 917 Ca 0.00 0.82 -0.44 0.00 -1.04 0.00 0.00 55.73 55.07 1in1 s ARG 917 Cb 0.00 0.08 -0.18 0.00 -2.04 0.00 0.00 34.95 32.80 1in1 s ARG 917 CO 0.00 -0.25 1.65 1.28 -0.04 0.00 0.00 175.30 177.94 1in1 n LEU 918 N 5.14 1.64 0.00 -1.89 7.99 -1.22 -4.66 117.00 123.99 1in1 n LEU 918 Ca -0.11 1.15 0.00 0.00 -0.01 0.00 0.00 56.01 57.04 1in1 n LEU 918 Cb 0.50 -0.98 0.00 0.00 -0.11 0.00 0.00 43.42 42.83 1in1 n LEU 918 CO 0.03 -0.70 0.00 1.33 -1.51 0.00 0.00 177.39 176.54 1in1 n VAL 919 N 4.18 0.00 -2.13 4.08 0.24 -1.26 -4.99 118.33 118.45 1in1 n VAL 919 Ca 0.29 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.16 1in1 n VAL 919 Cb 0.01 -1.34 -0.02 0.00 -1.47 0.00 0.00 33.84 31.02 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 -2.68 3.23 0.09 2.33 0.00 -1.26 -4.96 121.76 118.50 1in1 s ALA 920 Ca 0.00 0.41 -0.31 0.00 0.00 0.00 0.00 51.96 52.06 1in1 s ALA 920 Cb 0.00 -3.87 -0.07 0.00 0.00 0.00 0.00 23.12 19.19 1in1 s ALA 920 CO 0.00 -2.02 1.26 -1.25 0.00 0.00 0.00 175.76 173.74 1in1 s PRO 921 N 4.76 4.40 0.00 0.00 0.04 -1.26 -4.90 135.00 138.04 1in1 s PRO 921 Ca 0.71 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.63 1in1 s PRO 921 Cb -0.24 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1in1 s PRO 921 CO 0.29 -0.30 0.00 0.00 0.04 0.00 0.00 177.00 177.04