#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 0.00 1.61 3.41 -1.26 -4.38 113.62 113.01 1in1 n SER 836 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1in1 n SER 836 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1in1 n SER 836 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1in1 n ALA 837 N -3.00 0.00 -0.30 7.33 0.00 -1.26 0.90 120.51 124.19 1in1 n ALA 837 Ca 0.00 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.70 1in1 n ALA 837 Cb 0.00 0.00 0.48 0.00 0.00 0.00 0.00 19.45 19.93 1in1 n ALA 837 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1in1 n ASP 838 N 0.00 0.23 0.10 0.00 2.03 -1.26 0.40 116.55 118.06 1in1 n ASP 838 Ca 0.00 1.52 -0.04 0.00 0.52 0.00 0.00 54.79 56.79 1in1 n ASP 838 Cb 0.00 -0.70 0.10 0.00 -0.72 0.00 0.00 41.12 39.80 1in1 n ASP 838 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1in1 h GLU 839 N 0.00 0.13 0.00 -0.67 4.39 0.32 -2.15 114.58 116.60 1in1 h GLU 839 Ca 0.73 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 60.26 1in1 h GLU 839 Cb 1.87 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.53 1in1 h GLU 839 CO -0.73 0.76 -0.38 1.15 -1.16 0.00 0.00 179.01 178.65 1in1 h THR 840 N 0.09 1.00 0.00 1.13 2.02 0.77 -3.28 112.91 114.64 1in1 h THR 840 Ca -0.01 -1.88 0.00 0.00 0.77 0.00 0.00 66.41 65.29 1in1 h THR 840 Cb 1.21 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 69.64 1in1 h THR 840 CO 0.10 0.34 0.00 0.18 0.37 0.00 0.00 175.52 176.51 1in1 n LEU 841 N -4.60 0.00 0.01 2.58 4.77 0.72 -2.71 117.00 117.76 1in1 n LEU 841 Ca -0.13 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1in1 n LEU 841 Cb 0.41 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1in1 n LEU 841 CO 0.21 -0.18 0.51 0.00 -1.33 0.00 0.00 177.39 176.59 1in1 n GLN 843 N -1.36 2.57 0.00 0.00 1.13 -1.10 -4.95 117.38 113.67 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 0.17 -2.33 0.00 0.00 0.11 0.00 0.00 30.24 28.18 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 -1.68 5.09 5.66 -1.10 0.22 114.28 124.06 1in1 n THR 844 Ca 0.25 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.25 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 -1.46 1.09 4.01 -1.26 -4.96 118.16 115.58 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 -0.11 0.00 0.00 -0.51 0.00 0.00 35.03 34.41 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 -3.15 -0.18 0.24 0.13 -4.79 118.33 110.58 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 0.23 -0.38 -0.05 0.00 -1.47 0.00 0.00 33.84 32.17 1in1 n VAL 846 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1in1 s LEU 847 N -0.21 -0.13 0.65 1.34 2.01 -1.26 -4.96 118.68 116.12 1in1 s LEU 847 Ca 0.00 -2.11 0.02 0.00 0.01 0.00 0.00 54.13 52.05 1in1 s LEU 847 Cb 0.00 0.77 0.10 0.00 0.01 0.00 0.00 46.19 47.06 1in1 s LEU 847 CO 0.00 -0.15 0.89 -0.76 1.01 0.00 0.00 176.35 177.35 1in1 s LEU 848 N 0.78 3.08 0.00 1.79 1.43 -1.26 -4.83 118.68 119.67 1in1 s LEU 848 Ca 0.27 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1in1 s LEU 848 Cb -0.03 -2.08 -0.06 0.00 0.03 0.00 0.00 46.19 44.05 1in1 s LEU 848 CO -0.10 -1.58 2.05 -0.90 0.23 0.00 0.00 176.35 176.05 1in1 n ASP 849 N -2.58 4.42 0.00 2.29 5.75 -1.26 -4.54 116.55 120.62 1in1 n ASP 849 Ca 0.14 -2.21 0.00 0.00 -0.01 0.00 0.00 54.79 52.71 1in1 n ASP 849 Cb 0.61 -1.00 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 1in1 n ASP 849 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1in1 n ILE 850 N 1.85 0.00 0.07 2.12 2.08 -1.24 -3.35 119.36 120.90 1in1 n ILE 850 Ca 0.10 0.36 0.00 0.00 0.56 0.00 0.00 62.75 63.76 1in1 n ILE 850 Cb 0.51 -1.02 0.00 0.00 -0.75 0.00 0.00 39.64 38.38 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 -0.04 0.00 -1.44 1.39 3.72 -1.26 -0.90 117.46 118.94 1in1 n PHE 851 Ca 0.00 -0.05 -0.46 0.00 -0.05 0.00 0.00 57.45 56.89 1in1 n PHE 851 Cb 0.00 -0.14 -0.14 0.00 -0.94 0.00 0.00 39.48 38.26 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 1.10 0.00 -0.84 4.37 5.66 -1.21 0.52 114.28 123.88 1in1 n THR 852 Ca 0.00 -0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1in1 n THR 852 Cb 0.05 -0.51 0.00 0.00 -1.55 0.00 0.00 70.33 68.32 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 6.75 0.53 3.61 1.09 0.00 -1.23 -4.90 105.19 111.05 1in1 n GLY 853 Ca 0.63 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.53 3.96 -1.10 1.61 1.01 2.00 -4.77 120.40 120.57 1in1 s VAL 854 Ca 0.00 1.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.92 1in1 s VAL 854 Cb 0.00 -4.13 0.28 0.00 0.00 0.00 0.00 36.38 32.53 1in1 s VAL 854 CO 0.00 -0.61 1.11 -2.11 0.00 0.00 0.00 175.10 173.49 1in1 n ARG 855 N 7.79 3.51 -3.43 2.72 1.85 -1.26 -3.31 116.66 124.53 1in1 n ARG 855 Ca 0.16 -4.47 -0.38 0.00 -1.00 0.00 0.00 57.85 52.17 1in1 n ARG 855 Cb 0.47 -2.54 -0.08 0.00 -1.05 0.00 0.00 32.46 29.27 1in1 n ARG 855 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1in1 s LEU 856 N -1.37 4.17 -0.29 2.89 1.98 -1.19 1.57 118.68 126.44 1in1 s LEU 856 Ca 0.31 0.49 -0.28 0.00 -2.89 0.00 0.00 54.13 51.75 1in1 s LEU 856 Cb -0.09 -2.47 -0.03 0.00 0.66 0.00 0.00 46.19 44.26 1in1 s LEU 856 CO -0.08 -0.04 1.98 -0.47 -1.89 0.00 0.00 176.35 175.86 1in1 s TYR 857 N 1.17 1.53 -0.42 5.38 5.04 0.91 -4.55 117.35 126.42 1in1 s TYR 857 Ca 0.18 0.61 -0.20 0.00 -2.44 0.00 0.00 57.07 55.22 1in1 s TYR 857 Cb -0.14 -4.03 0.02 0.00 0.35 0.00 0.00 41.96 38.15 1in1 s TYR 857 CO 0.07 -3.39 0.63 -1.17 -1.34 0.00 0.00 175.55 170.35 1in1 s LEU 858 N 7.62 4.45 0.45 6.97 2.96 -1.26 0.63 118.68 140.50 1in1 s LEU 858 Ca 0.88 -0.23 -0.22 0.00 -0.22 0.00 0.00 54.13 54.33 1in1 s LEU 858 Cb -0.26 -2.72 -0.08 0.00 0.50 0.00 0.00 46.19 43.63 1in1 s LEU 858 CO 0.34 -0.72 1.10 -2.16 -1.32 0.00 0.00 176.35 173.59 1in1 s PRO 859 N 2.76 3.85 0.50 0.98 0.04 -1.26 -4.87 135.00 137.00 1in1 s PRO 859 Ca 0.22 1.60 0.31 0.00 0.04 0.00 0.00 61.00 63.17 1in1 s PRO 859 Cb -0.14 -2.35 1.13 0.00 0.04 0.00 0.00 34.50 33.17 1in1 s PRO 859 CO 0.18 -0.43 1.89 -1.00 0.04 0.00 0.00 177.00 177.67 1in1 h PRO 860 N 2.02 0.00 0.00 0.56 0.13 -1.97 -2.44 132.00 130.29 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 0.00 -0.30 0.77 -0.23 0.00 0.00 178.00 178.84 1in1 h SER 861 N 0.00 0.00 -3.95 1.44 0.02 -2.01 -3.46 113.55 105.59 1in1 h SER 861 Ca 0.00 -0.06 -0.53 0.00 -0.84 0.00 0.00 61.79 60.35 1in1 h SER 861 Cb 0.60 0.00 0.10 0.00 0.14 0.00 0.00 62.40 63.24 1in1 h SER 861 CO 0.00 0.03 0.70 -0.89 -1.14 0.00 0.00 176.83 175.53 1in1 s THR 862 N -3.17 2.28 0.33 -2.27 2.01 -0.92 -4.96 115.64 108.93 1in1 s THR 862 Ca 0.07 0.27 -0.28 0.00 0.31 0.00 0.00 61.69 62.06 1in1 s THR 862 Cb 0.11 -3.16 -0.09 0.00 0.01 0.00 0.00 72.50 69.36 1in1 s THR 862 CO 0.67 0.05 1.14 -2.16 -0.69 0.00 0.00 174.62 173.63 1in1 s PRO 863 N -2.20 4.42 -0.25 4.92 0.04 -1.26 -2.72 135.00 137.95 1in1 s PRO 863 Ca 0.56 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1in1 s PRO 863 Cb -0.43 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1in1 s PRO 863 CO 0.56 -0.00 0.00 -0.25 0.04 0.00 0.00 177.00 177.35 1in1 n ASP 864 N 0.75 -4.01 -0.30 6.66 8.00 -1.26 -4.89 116.55 121.50 1in1 n ASP 864 Ca 0.01 0.06 0.03 0.00 0.71 0.00 0.00 54.79 55.60 1in1 n ASP 864 Cb 0.45 -1.73 0.11 0.00 -0.02 0.00 0.00 41.12 39.94 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 -0.45 0.00 1.24 3.57 -1.85 0.13 116.94 119.58 1in1 h PHE 865 Ca -0.05 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1in1 h PHE 865 Cb 0.40 0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.47 1in1 h PHE 865 CO 0.22 -0.37 0.00 0.45 -2.23 0.00 0.00 178.31 176.38 1in1 n SER 866 N -5.55 0.00 -0.16 0.41 2.88 -1.26 0.07 113.62 110.01 1in1 n SER 866 Ca 0.13 0.20 -0.11 0.00 -1.33 0.00 0.00 58.87 57.75 1in1 n SER 866 Cb 0.43 -0.01 -0.00 0.00 -0.75 0.00 0.00 64.21 63.88 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 0.89 -0.79 -1.46 3.08 -1.90 -3.10 114.38 111.10 1in1 h ARG 867 Ca 0.00 -0.34 0.17 0.00 0.07 0.00 0.00 59.98 59.88 1in1 h ARG 867 Cb 0.00 -0.05 -0.15 0.00 0.08 0.00 0.00 29.97 29.85 1in1 h ARG 867 CO 0.00 0.99 -0.14 1.28 -1.07 0.00 0.00 179.97 181.03 1in1 n LEU 868 N -4.25 -0.23 0.00 3.04 4.77 0.66 0.24 117.00 121.24 1in1 n LEU 868 Ca -0.00 1.35 0.00 0.00 -0.03 0.00 0.00 56.01 57.33 1in1 n LEU 868 Cb 0.39 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1in1 n LEU 868 CO 0.44 -1.32 0.17 -1.14 -1.33 0.00 0.00 177.39 174.21 1in1 n ARG 869 N -5.24 0.00 -0.26 3.23 3.00 0.11 -1.68 116.66 115.82 1in1 n ARG 869 Ca 0.14 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.87 1in1 n ARG 869 Cb 0.45 -0.83 -0.10 0.00 0.00 0.00 0.00 32.46 31.99 1in1 n ARG 869 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 1in1 h ARG 870 N 0.00 -0.21 -0.53 -0.14 2.43 -1.48 -1.26 114.38 113.19 1in1 h ARG 870 Ca 0.00 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1in1 h ARG 870 Cb 0.00 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.53 1in1 h ARG 870 CO 0.00 -0.14 -0.31 0.98 -1.51 0.00 0.00 179.97 178.99 1in1 n TYR 871 N -5.32 -0.23 0.00 2.20 9.36 0.66 0.20 117.16 124.03 1in1 n TYR 871 Ca -0.01 0.66 0.00 0.00 3.32 0.00 0.00 57.90 61.87 1in1 n TYR 871 Cb 0.31 -0.53 0.00 0.00 -0.63 0.00 0.00 39.34 38.49 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 -4.19 0.00 -0.26 2.98 -0.00 -0.52 -0.47 117.46 115.00 1in1 n PHE 872 Ca 0.01 0.00 0.22 0.00 -0.00 0.00 0.00 57.45 57.68 1in1 n PHE 872 Cb 0.14 0.00 0.36 0.00 -0.00 0.00 0.00 39.48 39.98 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 -0.11 0.26 -2.13 3.14 -0.94 0.26 118.33 118.81 1in1 n VAL 873 Ca 0.00 0.90 -0.16 0.00 -2.96 0.00 0.00 64.34 62.12 1in1 n VAL 873 Cb 0.00 -1.48 -0.08 0.00 -1.06 0.00 0.00 33.84 31.22 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 0.77 -0.74 -0.94 1.55 0.00 0.30 -2.19 119.26 118.01 1in1 h ALA 874 Ca 0.46 -0.14 0.32 0.00 0.00 0.00 0.00 54.91 55.55 1in1 h ALA 874 Cb 1.53 0.40 -0.17 0.00 0.00 0.00 0.00 17.79 19.55 1in1 h ALA 874 CO -0.20 -0.94 0.24 1.19 0.00 0.00 0.00 179.25 179.54 1in1 n PHE 875 N -5.44 0.82 0.00 0.00 3.01 0.72 -4.63 117.46 111.95 1in1 n PHE 875 Ca -0.11 1.12 0.00 0.00 1.01 0.00 0.00 57.45 59.47 1in1 n PHE 875 Cb 0.34 -1.34 0.00 0.00 -0.01 0.00 0.00 39.48 38.46 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 -5.26 0.00 -0.07 4.37 8.00 -0.84 -4.78 116.55 117.97 1in1 n ASP 876 Ca 0.28 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.78 1in1 n ASP 876 Cb 0.94 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.04 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 1.80 3.46 0.44 0.00 -1.14 -3.52 105.19 106.23 1in1 n GLY 877 Ca 0.00 -1.74 -0.11 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.52 -0.08 1.61 1.01 -1.21 -4.63 116.67 111.85 1in1 s ASP 878 Ca 0.00 -0.03 -0.01 0.00 0.71 0.00 0.00 52.55 53.22 1in1 s ASP 878 Cb 0.00 0.57 0.03 0.00 1.01 0.00 0.00 42.92 44.53 1in1 s ASP 878 CO 0.00 -0.94 -0.04 -0.76 0.21 0.00 0.00 175.17 173.65 1in1 s LEU 879 N -2.72 0.94 -0.13 1.23 1.43 -1.26 -3.14 118.68 115.03 1in1 s LEU 879 Ca 0.02 -0.17 -0.05 0.00 -1.03 0.00 0.00 54.13 52.89 1in1 s LEU 879 Cb -0.01 -0.59 -0.04 0.00 0.03 0.00 0.00 46.19 45.58 1in1 s LEU 879 CO -0.11 -0.14 0.07 -0.69 0.23 0.00 0.00 176.35 175.71 1in1 s VAL 880 N 1.67 4.93 0.22 -1.59 1.01 -1.26 -4.96 120.40 120.42 1in1 s VAL 880 Ca 0.02 -0.00 -0.31 0.00 0.00 0.00 0.00 61.98 61.69 1in1 s VAL 880 Cb -0.13 -3.15 -0.11 0.00 0.00 0.00 0.00 36.38 33.00 1in1 s VAL 880 CO -0.05 0.57 1.55 -1.10 0.00 0.00 0.00 175.10 176.07 1in1 s GLN 881 N -0.59 4.20 0.00 2.72 -0.21 -0.66 -4.38 119.66 120.75 1in1 s GLN 881 Ca 0.11 2.41 0.00 0.00 0.02 0.00 0.00 55.36 57.91 1in1 s GLN 881 Cb -0.12 -3.11 0.00 0.00 1.00 0.00 0.00 33.01 30.79 1in1 s GLN 881 CO 0.02 -0.57 0.37 -1.91 -2.12 0.00 0.00 175.29 171.08 1in1 n GLU 882 N 3.11 0.00 0.00 2.91 2.13 -1.26 0.82 120.64 128.34 1in1 n GLU 882 Ca 0.11 0.37 0.00 0.00 0.66 0.00 0.00 57.16 58.30 1in1 n GLU 882 Cb 0.38 -0.56 0.02 0.00 0.27 0.00 0.00 31.44 31.55 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 -2.22 0.00 -3.54 4.31 1.16 -1.26 -3.85 117.46 112.06 1in1 n PHE 883 Ca 0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.29 1in1 n PHE 883 Cb 0.00 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 37.73 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 -1.93 3.41 0.00 5.98 1.01 4.50 -4.90 116.67 124.74 1in1 s ASP 884 Ca 0.01 -1.61 0.00 0.00 0.71 0.00 0.00 52.55 51.66 1in1 s ASP 884 Cb 0.00 -0.42 0.00 0.00 1.01 0.00 0.00 42.92 43.52 1in1 s ASP 884 CO 0.01 -0.40 0.00 1.15 0.21 0.00 0.00 175.17 176.14 1in1 n MET 885 N 4.83 0.00 0.00 8.23 0.00 -1.23 -1.65 117.12 127.30 1in1 n MET 885 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1in1 n MET 885 Cb 0.40 -0.28 0.00 0.00 0.00 0.00 0.00 33.22 33.34 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 -1.04 0.00 0.55 3.17 -2.24 -1.26 1.28 114.28 114.74 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 -2.39 0.63 -3.33 3.42 7.64 -1.26 -4.93 113.62 113.41 1in1 n SER 887 Ca 0.00 -0.10 -0.10 0.00 1.01 0.00 0.00 58.87 59.68 1in1 n SER 887 Cb 0.00 0.62 0.10 0.00 -1.01 0.00 0.00 64.21 63.92 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 -1.84 -1.76 0.00 -0.43 0.00 11.30 -5.00 120.51 122.78 1in1 n ALA 888 Ca 0.02 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1in1 n ALA 888 Cb 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 -3.78 0.00 -4.47 0.00 5.66 -1.18 -4.74 114.28 105.77 1in1 n THR 889 Ca 0.05 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.81 1in1 n THR 889 Cb 0.20 -0.33 -0.10 0.00 -1.55 0.00 0.00 70.33 68.55 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 -1.49 2.22 -0.12 1.09 3.76 17.60 -1.45 115.29 136.91 1in1 s HIS 890 Ca 0.00 -0.42 -0.07 0.00 -0.15 0.00 0.00 55.06 54.43 1in1 s HIS 890 Cb 0.00 -1.06 0.05 0.00 1.11 0.00 0.00 32.58 32.68 1in1 s HIS 890 CO 0.00 0.62 0.28 0.14 -0.85 0.00 0.00 174.74 174.93 1in1 s VAL 891 N -2.62 -0.03 -0.22 -0.90 -7.23 0.80 0.31 120.40 110.51 1in1 s VAL 891 Ca 0.30 0.12 -0.19 0.00 -1.81 0.00 0.00 61.98 60.39 1in1 s VAL 891 Cb -0.02 -0.43 -0.03 0.00 0.56 0.00 0.00 36.38 36.46 1in1 s VAL 891 CO 0.14 0.05 0.55 -0.22 -0.31 0.00 0.00 175.10 175.31 1in1 s LEU 892 N 1.13 4.11 0.00 1.32 0.20 2.77 -0.79 118.68 127.43 1in1 s LEU 892 Ca -0.08 0.67 0.00 0.00 0.69 0.00 0.00 54.13 55.41 1in1 s LEU 892 Cb -0.09 -2.74 0.00 0.00 -0.43 0.00 0.00 46.19 42.93 1in1 s LEU 892 CO -0.08 -0.24 0.00 0.61 -0.29 0.00 0.00 176.35 176.35 1in1 n GLY 893 N 4.02 2.09 0.00 7.98 0.00 -0.58 -4.40 105.19 114.30 1in1 n GLY 893 Ca -0.04 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 2.30 0.10 0.00 1.61 7.64 -1.26 -4.81 113.62 119.20 1in1 n SER 894 Ca 0.00 -0.48 0.00 0.00 1.01 0.00 0.00 58.87 59.40 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 0.00 1.87 0.00 1.43 1.85 -1.26 -4.36 116.66 116.19 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 -0.85 0.00 0.00 -1.05 0.00 0.00 32.46 30.56 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 -1.75 0.00 -0.36 2.89 2.03 -1.26 0.76 116.55 118.86 1in1 n ASP 896 Ca 0.00 0.00 0.28 0.00 0.52 0.00 0.00 54.79 55.59 1in1 n ASP 896 Cb 0.35 0.00 0.45 0.00 -0.72 0.00 0.00 41.12 41.20 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 -0.27 -0.01 -3.20 -0.67 -0.00 -1.26 -3.04 118.16 109.71 1in1 n LYS 897 Ca 0.00 0.69 -0.00 0.00 -0.00 0.00 0.00 58.31 59.00 1in1 n LYS 897 Cb 0.00 -1.49 -0.02 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 -4.14 -1.06 0.00 -5.58 2.47 3.93 -4.54 114.94 106.02 1in1 s ASN 898 Ca -0.04 -0.13 0.18 0.00 0.42 0.00 0.00 52.86 53.30 1in1 s ASN 898 Cb 0.17 1.76 0.88 0.00 -1.45 0.00 0.00 41.25 42.61 1in1 s ASN 898 CO 0.51 -0.29 1.57 -0.81 -3.72 0.00 0.00 177.10 174.36 1in1 n PRO 899 N 5.24 0.17 0.00 0.43 -0.04 -0.95 -1.92 135.00 137.92 1in1 n PRO 899 Ca 0.05 0.14 0.13 0.00 -0.04 0.00 0.00 63.50 63.78 1in1 n PRO 899 Cb 0.53 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.90 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 -1.36 2.76 -2.02 0.55 0.00 -1.26 -4.89 120.51 114.29 1in1 n ALA 900 Ca 0.07 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1in1 n ALA 900 Cb 0.17 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 0.05 0.00 -3.17 0.00 0.00 -0.81 -4.71 120.51 111.88 1in1 n ALA 901 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.32 1in1 n ALA 901 Cb 0.39 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.67 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 2.29 2.22 -1.34 0.00 -1.52 -0.53 -4.81 119.66 115.97 1in1 s GLN 902 Ca 0.00 -0.66 -0.11 0.00 -1.95 0.00 0.00 55.36 52.64 1in1 s GLN 902 Cb 0.00 -1.79 0.13 0.00 -0.22 0.00 0.00 33.01 31.12 1in1 s GLN 902 CO 0.00 0.17 1.99 1.04 -0.25 0.00 0.00 175.29 178.23 1in1 n GLN 903 N 3.46 3.37 -2.39 2.91 3.00 -1.22 0.28 117.38 126.79 1in1 n GLN 903 Ca -0.20 -3.23 -0.24 0.00 -0.01 0.00 0.00 57.00 53.32 1in1 n GLN 903 Cb 0.52 -3.05 0.07 0.00 0.00 0.00 0.00 30.24 27.79 1in1 n GLN 903 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 1in1 s VAL 904 N 1.32 2.37 0.02 5.09 -7.23 0.03 -3.40 120.40 118.60 1in1 s VAL 904 Ca 0.42 -0.44 0.00 0.00 -1.81 0.00 0.00 61.98 60.16 1in1 s VAL 904 Cb 0.11 -2.93 -0.00 0.00 0.56 0.00 0.00 36.38 34.12 1in1 s VAL 904 CO -0.03 0.00 0.01 -0.24 -0.31 0.00 0.00 175.10 174.53 1in1 n SER 905 N -2.76 1.22 0.17 4.85 2.88 -1.26 -1.52 113.62 117.20 1in1 n SER 905 Ca 0.09 -1.11 0.03 0.00 -1.33 0.00 0.00 58.87 56.55 1in1 n SER 905 Cb 0.60 0.04 0.27 0.00 -0.75 0.00 0.00 64.21 64.37 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 -0.03 -1.46 0.13 -1.98 -2.89 132.00 125.76 1in1 h PRO 906 Ca -0.02 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.99 1in1 h PRO 906 Cb 0.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.18 1in1 h PRO 906 CO 0.03 0.47 -0.55 0.93 -0.23 0.00 0.00 178.00 178.65 1in1 h GLU 907 N 0.00 0.10 -0.17 0.86 3.07 -1.97 -2.86 114.58 113.61 1in1 h GLU 907 Ca -0.00 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 58.76 1in1 h GLU 907 Cb 0.99 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.90 1in1 h GLU 907 CO 0.06 0.62 -0.04 2.35 -1.40 0.00 0.00 179.01 180.60 1in1 h TRP 908 N 0.07 0.37 -0.20 4.33 7.01 -1.85 -0.60 115.95 125.08 1in1 h TRP 908 Ca -0.00 -0.08 0.05 0.00 2.11 0.00 0.00 58.89 60.96 1in1 h TRP 908 Cb 0.99 -0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 27.91 1in1 h TRP 908 CO 0.01 0.60 -0.09 0.82 -2.79 0.00 0.00 178.44 176.99 1in1 h ILE 909 N 0.04 0.71 0.76 2.65 2.04 -1.50 1.07 117.51 123.28 1in1 h ILE 909 Ca 0.04 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.87 1in1 h ILE 909 Cb 0.48 0.71 0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1in1 h ILE 909 CO 0.02 0.00 -0.37 -0.50 0.00 0.00 0.00 178.15 177.30 1in1 h TRP 910 N -0.06 -0.95 -0.79 1.37 -0.00 -1.47 0.31 115.95 114.36 1in1 h TRP 910 Ca 0.11 -0.02 0.20 0.00 -0.00 0.00 0.00 58.89 59.17 1in1 h TRP 910 Cb 0.22 0.31 -0.04 0.00 -0.00 0.00 0.00 29.16 29.65 1in1 h TRP 910 CO -0.25 -0.59 0.55 0.00 -0.00 0.00 0.00 178.44 178.14 1in1 h ALA 911 N -1.52 2.45 -2.21 1.49 0.00 -0.97 0.41 119.26 118.91 1in1 h ALA 911 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1in1 h ALA 911 Cb 0.79 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1in1 h ALA 911 CO 0.17 -0.68 0.00 0.00 0.00 0.00 0.00 179.25 178.74 1in1 h ILE 913 N 0.00 0.17 0.00 0.00 2.10 -0.28 2.97 117.51 122.47 1in1 h ILE 913 Ca 0.00 -0.06 -0.09 0.00 1.08 0.00 0.00 64.86 65.79 1in1 h ILE 913 Cb 0.00 -0.02 -0.01 0.00 -1.09 0.00 0.00 36.82 35.69 1in1 h ILE 913 CO 0.00 0.03 -0.42 -0.09 -1.08 0.00 0.00 178.15 176.59 1in1 h ARG 914 N 0.17 0.00 0.00 2.19 2.43 -0.27 -2.18 114.38 116.72 1in1 h ARG 914 Ca 0.77 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.94 1in1 h ARG 914 Cb 1.88 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.43 1in1 h ARG 914 CO -0.69 0.42 -0.45 1.63 -1.51 0.00 0.00 179.97 179.38 1in1 n LYS 915 N -3.98 0.09 -0.52 0.20 4.76 0.94 -4.90 118.16 114.75 1in1 n LYS 915 Ca -0.02 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1in1 n LYS 915 Cb 0.46 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 32.09 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 -1.69 0.00 -3.63 1.97 3.00 0.19 -4.88 116.66 111.62 1in1 n ARG 916 Ca 0.05 0.00 -0.19 0.00 -0.01 0.00 0.00 57.85 57.70 1in1 n ARG 916 Cb 0.37 -3.64 -0.16 0.00 0.00 0.00 0.00 32.46 29.03 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 -0.50 0.05 -0.24 5.56 3.03 -1.22 -3.70 118.95 121.94 1in1 s ARG 917 Ca 0.00 0.39 -0.33 0.00 2.03 0.00 0.00 55.73 57.82 1in1 s ARG 917 Cb 0.00 -0.68 -0.15 0.00 -1.03 0.00 0.00 34.95 33.09 1in1 s ARG 917 CO 0.00 -0.42 1.05 1.28 -1.13 0.00 0.00 175.30 176.08 1in1 n LEU 918 N 5.32 0.57 0.00 -1.89 7.99 -0.08 -4.74 117.00 124.17 1in1 n LEU 918 Ca -0.05 0.88 0.00 0.00 -0.01 0.00 0.00 56.01 56.83 1in1 n LEU 918 Cb 0.50 -0.67 0.00 0.00 -0.11 0.00 0.00 43.42 43.14 1in1 n LEU 918 CO 0.06 -0.92 0.00 1.33 -1.51 0.00 0.00 177.39 176.35 1in1 n VAL 919 N 2.32 0.00 -2.01 4.08 0.24 -1.26 -5.00 118.33 116.70 1in1 n VAL 919 Ca 0.20 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.07 1in1 n VAL 919 Cb -0.01 -1.18 -0.03 0.00 -1.47 0.00 0.00 33.84 31.16 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 -2.36 3.19 0.09 2.33 0.00 -1.26 -4.95 121.76 118.79 1in1 s ALA 920 Ca 0.00 0.55 -0.31 0.00 0.00 0.00 0.00 51.96 52.20 1in1 s ALA 920 Cb 0.00 -3.90 -0.07 0.00 0.00 0.00 0.00 23.12 19.16 1in1 s ALA 920 CO 0.00 -2.09 1.26 -1.25 0.00 0.00 0.00 175.76 173.68 1in1 s PRO 921 N 4.96 4.40 0.00 0.00 0.04 -1.26 -4.89 135.00 138.25 1in1 s PRO 921 Ca 0.77 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.69 1in1 s PRO 921 Cb -0.27 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 30.97 1in1 s PRO 921 CO 0.32 -0.30 0.00 0.00 0.04 0.00 0.00 177.00 177.05