#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dtw h ARG 819 N 0.00 0.00 -6.88 5.31 3.08 -2.01 -3.46 114.38 110.42 3dtw h ARG 819 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 3dtw h ARG 819 Cb 0.00 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.11 3dtw h ARG 819 CO 0.00 0.00 0.59 -0.51 -1.07 0.00 0.00 179.97 178.98 3dtw s LEU 820 N -5.74 4.40 0.70 3.04 1.43 -1.26 -5.02 118.68 116.23 3dtw s LEU 820 Ca 0.03 2.56 -0.11 0.00 -1.03 0.00 0.00 54.13 55.58 3dtw s LEU 820 Cb 0.07 -3.72 0.01 0.00 0.03 0.00 0.00 46.19 42.59 3dtw s LEU 820 CO 0.73 -0.50 1.06 -2.16 0.23 0.00 0.00 176.35 175.71 3dtw s PRO 821 N -1.83 2.93 -0.31 1.29 0.04 -1.26 -5.01 135.00 130.86 3dtw s PRO 821 Ca 0.50 0.87 0.03 0.00 0.04 0.00 0.00 61.00 62.43 3dtw s PRO 821 Cb -0.37 -2.00 0.09 0.00 0.04 0.00 0.00 34.50 32.26 3dtw s PRO 821 CO 0.48 -1.08 0.01 -0.47 0.04 0.00 0.00 177.00 175.98 3dtw s TYR 822 N -3.09 3.24 -1.05 0.56 5.04 -1.26 -4.98 117.35 115.80 3dtw s TYR 822 Ca 0.58 -2.55 -0.22 0.00 -2.44 0.00 0.00 57.07 52.43 3dtw s TYR 822 Cb -0.13 -2.40 0.02 0.00 0.35 0.00 0.00 41.96 39.80 3dtw s TYR 822 CO 0.55 -0.90 1.65 0.34 -1.34 0.00 0.00 175.55 175.84 3dtw s ASP 823 N 1.09 6.13 0.48 4.32 -1.08 -1.26 -4.84 116.67 121.52 3dtw s ASP 823 Ca 0.04 -1.46 0.14 0.00 -0.52 0.00 0.00 52.55 50.76 3dtw s ASP 823 Cb -0.19 -2.57 1.14 0.00 -1.46 0.00 0.00 42.92 39.84 3dtw s ASP 823 CO -0.09 -1.86 2.09 0.00 0.52 0.00 0.00 175.17 175.83 3dtw h ALA 824 N 9.76 1.87 0.00 3.66 0.00 -1.97 -1.74 119.26 130.84 3dtw h ALA 824 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3dtw h ALA 824 Cb 0.98 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3dtw h ALA 824 CO 1.37 0.10 0.00 0.77 0.00 0.00 0.00 179.25 181.49 3dtw h SER 825 N 0.07 0.00 0.00 0.00 0.02 -1.95 -2.21 113.55 109.48 3dtw h SER 825 Ca 0.02 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.60 3dtw h SER 825 Cb 0.08 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.56 3dtw h SER 825 CO 0.00 0.00 -2.36 1.17 -1.14 0.00 0.00 176.83 174.50 3dtw n LYS 826 N -2.50 0.58 -0.00 3.45 4.81 -0.69 -4.78 118.16 119.03 3dtw n LYS 826 Ca 0.01 0.16 0.09 0.00 -0.87 0.00 0.00 58.31 57.69 3dtw n LYS 826 Cb 0.20 -1.46 -0.11 0.00 0.02 0.00 0.00 35.03 33.68 3dtw n LYS 826 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 3dtw n TRP 827 N -3.38 0.00 -2.12 5.64 7.02 -1.01 -5.01 117.44 118.58 3dtw n TRP 827 Ca -0.43 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 55.62 3dtw n TRP 827 Cb 0.93 -0.09 -0.03 0.00 -2.42 0.00 0.00 31.31 29.69 3dtw n TRP 827 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 3dtw s GLU 828 N -2.82 4.28 -0.03 -0.99 2.56 -0.83 -1.27 118.70 119.60 3dtw s GLU 828 Ca 0.04 2.12 0.07 0.00 0.00 0.00 0.00 54.97 57.20 3dtw s GLU 828 Cb 0.13 -3.38 -0.02 0.00 2.00 0.00 0.00 34.13 32.86 3dtw s GLU 828 CO 0.74 -0.54 -0.24 0.12 -0.56 0.00 0.00 175.26 174.78 3dtw s PHE 829 N 1.71 2.23 0.12 5.30 5.36 -0.63 -4.87 117.98 127.21 3dtw s PHE 829 Ca 0.66 -0.47 -0.31 0.00 -0.96 0.00 0.00 56.93 55.85 3dtw s PHE 829 Cb -0.37 -1.44 -0.08 0.00 -0.34 0.00 0.00 43.02 40.79 3dtw s PHE 829 CO 0.30 -0.07 1.42 -2.14 -1.46 0.00 0.00 175.22 173.26 3dtw s PRO 830 N -0.48 4.30 0.24 10.12 0.02 -1.26 -4.39 135.00 143.55 3dtw s PRO 830 Ca 0.07 2.12 -0.06 0.00 0.02 0.00 0.00 61.00 63.15 3dtw s PRO 830 Cb -0.10 -3.23 0.32 0.00 0.02 0.00 0.00 34.50 31.50 3dtw s PRO 830 CO -0.00 -0.46 1.85 0.00 -0.33 0.00 0.00 177.00 178.06 3dtw h ARG 831 N 6.78 0.91 -0.24 5.54 3.08 -1.97 -1.65 114.38 126.83 3dtw h ARG 831 Ca -0.42 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.57 3dtw h ARG 831 Cb 1.21 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.05 3dtw h ARG 831 CO 0.87 0.60 0.00 -0.40 -1.07 0.00 0.00 179.97 179.97 3dtw n ASP 832 N -4.64 0.24 -0.89 7.04 3.85 -1.26 -1.94 116.55 118.95 3dtw n ASP 832 Ca 0.12 -1.55 0.07 0.00 -0.71 0.00 0.00 54.79 52.72 3dtw n ASP 832 Cb 0.17 -0.12 0.23 0.00 -1.35 0.00 0.00 41.12 40.05 3dtw n ASP 832 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3dtw n ARG 833 N -0.31 3.04 -4.61 0.11 5.12 -0.62 -4.92 116.66 114.47 3dtw n ARG 833 Ca 0.00 -2.47 -0.24 0.00 -1.93 0.00 0.00 57.85 53.21 3dtw n ARG 833 Cb 0.06 -1.57 -0.16 0.00 -1.16 0.00 0.00 32.46 29.63 3dtw n ARG 833 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3dtw s LEU 834 N -1.75 1.71 -0.33 0.55 1.43 -0.82 -1.05 118.68 118.43 3dtw s LEU 834 Ca 0.35 -0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 53.12 3dtw s LEU 834 Cb 0.23 -0.82 0.06 0.00 0.03 0.00 0.00 46.19 45.69 3dtw s LEU 834 CO 0.15 0.06 0.06 -0.75 0.23 0.00 0.00 176.35 176.10 3dtw s LYS 835 N 0.51 2.43 0.16 1.70 2.20 -0.07 -4.95 119.74 121.71 3dtw s LYS 835 Ca -0.12 -1.32 -0.30 0.00 -0.36 0.00 0.00 55.97 53.87 3dtw s LYS 835 Cb -0.14 -3.33 -0.07 0.00 -1.51 0.00 0.00 37.83 32.77 3dtw s LYS 835 CO 0.03 -0.70 1.13 -0.51 -0.36 0.00 0.00 175.35 174.94 3dtw s LEU 836 N 1.28 4.46 0.00 5.43 1.43 -1.26 -1.25 118.68 128.78 3dtw s LEU 836 Ca -0.02 2.11 0.00 0.00 -1.03 0.00 0.00 54.13 55.19 3dtw s LEU 836 Cb -0.20 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.42 3dtw s LEU 836 CO -0.00 -0.28 0.00 0.61 0.23 0.00 0.00 176.35 176.90 3dtw n GLY 837 N 2.21 4.13 3.74 -3.19 0.00 0.11 -4.97 105.19 107.22 3dtw n GLY 837 Ca 0.04 -1.85 -0.39 0.00 0.00 0.00 0.00 46.02 43.82 3dtw n GLY 837 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3dtw n LYS 838 N 0.00 1.74 -2.23 1.61 2.85 -1.26 -4.52 118.16 116.35 3dtw n LYS 838 Ca 0.00 0.64 -0.33 0.00 -1.05 0.00 0.00 58.31 57.57 3dtw n LYS 838 Cb 0.00 -2.58 -0.01 0.00 -0.65 0.00 0.00 35.03 31.79 3dtw n LYS 838 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 3dtw s PRO 839 N -2.85 3.49 -0.05 -1.58 0.02 -1.26 -1.67 135.00 131.11 3dtw s PRO 839 Ca 0.71 1.27 -0.06 0.00 0.02 0.00 0.00 61.00 62.94 3dtw s PRO 839 Cb -0.42 -2.05 -0.02 0.00 0.02 0.00 0.00 34.50 32.03 3dtw s PRO 839 CO 0.50 -0.68 -0.11 1.28 -0.33 0.00 0.00 177.00 177.66 3dtw n LEU 840 N -1.64 0.72 -4.28 -5.54 4.77 0.33 -4.81 117.00 106.55 3dtw n LEU 840 Ca 0.09 0.12 -0.15 0.00 -0.03 0.00 0.00 56.01 56.03 3dtw n LEU 840 Cb 0.53 -0.48 -0.10 0.00 -2.33 0.00 0.00 43.42 41.03 3dtw n LEU 840 CO 0.44 -0.46 -0.33 -0.83 -1.33 0.00 0.00 177.39 174.89 3dtw s GLY 841 N -3.70 1.39 0.02 -0.72 0.00 -1.17 -5.00 107.32 98.14 3dtw s GLY 841 Ca -0.09 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 42.95 3dtw s GLY 841 CO 0.13 -1.59 -0.03 -1.60 0.00 0.00 0.00 173.10 170.01 3dtw s ARG 842 N -3.90 0.26 0.13 2.90 3.52 -1.26 -1.14 118.95 119.46 3dtw s ARG 842 Ca 0.27 -0.43 0.00 0.00 -0.13 0.00 0.00 55.73 55.43 3dtw s ARG 842 Cb 0.06 -0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.43 3dtw s ARG 842 CO 0.07 -0.01 0.00 0.41 -0.81 0.00 0.00 175.30 174.95 3dtw n GLY 843 N 2.08 -0.97 0.00 8.12 0.00 -1.26 -5.01 105.19 108.15 3dtw n GLY 843 Ca -0.20 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3dtw n GLY 843 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dtw n GLY 846 N -1.40 0.00 2.92 -0.02 0.00 -1.26 -5.11 105.19 100.31 3dtw n GLY 846 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3dtw n GLY 846 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dtw s GLN 847 N 0.00 0.19 -0.03 1.61 -2.07 -0.93 -5.01 119.66 113.42 3dtw s GLN 847 Ca 0.00 -0.14 -0.09 0.00 -1.82 0.00 0.00 55.36 53.31 3dtw s GLN 847 Cb 0.00 -0.15 -0.05 0.00 -1.09 0.00 0.00 33.01 31.73 3dtw s GLN 847 CO 0.00 0.04 0.27 0.08 -1.32 0.00 0.00 175.29 174.36 3dtw s VAL 848 N -0.20 5.29 0.03 3.63 1.01 -0.29 -2.20 120.40 127.66 3dtw s VAL 848 Ca -0.01 0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.35 3dtw s VAL 848 Cb -0.02 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 3dtw s VAL 848 CO -0.00 0.50 -0.06 -0.63 0.00 0.00 0.00 175.10 174.90 3dtw s ILE 849 N -1.16 0.40 0.43 2.22 1.01 0.72 -0.52 121.20 124.31 3dtw s ILE 849 Ca 0.23 -0.96 -0.16 0.00 0.00 0.00 0.00 60.65 59.76 3dtw s ILE 849 Cb -0.14 -0.48 -0.08 0.00 0.01 0.00 0.00 42.46 41.76 3dtw s ILE 849 CO 0.12 -0.38 0.88 -0.70 0.00 0.00 0.00 174.94 174.86 3dtw s GLU 850 N -1.43 3.98 0.20 2.79 2.12 -0.67 0.48 118.70 126.18 3dtw s GLU 850 Ca -0.11 0.83 -0.23 0.00 0.36 0.00 0.00 54.97 55.82 3dtw s GLU 850 Cb -0.09 -2.26 0.05 0.00 0.26 0.00 0.00 34.13 32.08 3dtw s GLU 850 CO -0.00 -0.08 0.88 0.00 -0.54 0.00 0.00 175.26 175.52 3dtw s ALA 851 N -2.34 -1.48 -0.16 6.30 0.00 0.54 0.05 121.76 124.67 3dtw s ALA 851 Ca 0.57 -0.07 -0.02 0.00 0.00 0.00 0.00 51.96 52.44 3dtw s ALA 851 Cb -0.10 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.72 3dtw s ALA 851 CO 0.24 -1.04 -0.09 -0.51 0.00 0.00 0.00 175.76 174.36 3dtw s ASP 852 N -2.96 4.22 -0.15 0.00 1.01 -0.38 -0.06 116.67 118.35 3dtw s ASP 852 Ca 0.12 -0.31 -0.00 0.00 0.71 0.00 0.00 52.55 53.07 3dtw s ASP 852 Cb -0.03 -1.67 -0.01 0.00 1.01 0.00 0.00 42.92 42.22 3dtw s ASP 852 CO 0.04 0.12 -0.13 0.00 0.21 0.00 0.00 175.17 175.41 3dtw s ALA 853 N 0.62 2.58 -0.32 5.23 0.00 0.43 -0.89 121.76 129.41 3dtw s ALA 853 Ca -0.06 -0.99 -0.10 0.00 0.00 0.00 0.00 51.96 50.81 3dtw s ALA 853 Cb -0.15 -1.28 -0.01 0.00 0.00 0.00 0.00 23.12 21.69 3dtw s ALA 853 CO 0.03 0.04 0.16 -0.06 0.00 0.00 0.00 175.76 175.93 3dtw s PHE 854 N 0.70 3.19 0.00 0.00 0.40 -0.21 -1.05 117.98 121.00 3dtw s PHE 854 Ca -0.06 -0.55 0.00 0.00 -0.60 0.00 0.00 56.93 55.71 3dtw s PHE 854 Cb -0.15 -2.37 0.00 0.00 0.51 0.00 0.00 43.02 41.01 3dtw s PHE 854 CO 0.02 -0.45 0.00 0.41 0.70 0.00 0.00 175.22 175.89 3dtw n GLY 855 N 4.99 0.39 0.05 4.36 0.00 0.15 -4.92 105.19 110.21 3dtw n GLY 855 Ca -0.14 -1.05 0.10 0.00 0.00 0.00 0.00 46.02 44.93 3dtw n GLY 855 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3dtw n ILE 856 N -3.00 0.80 -3.50 -0.61 3.06 -1.26 -4.47 119.36 110.38 3dtw n ILE 856 Ca 0.00 0.18 -0.23 0.00 -2.50 0.00 0.00 62.75 60.20 3dtw n ILE 856 Cb 0.00 -0.97 -0.13 0.00 0.54 0.00 0.00 39.64 39.08 3dtw n ILE 856 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 3dtw s ASP 857 N -3.54 2.36 0.00 9.51 -4.77 -1.26 -4.98 116.67 113.99 3dtw s ASP 857 Ca 0.07 -0.80 0.00 0.00 -3.30 0.00 0.00 52.55 48.52 3dtw s ASP 857 Cb 0.11 0.07 0.00 0.00 -1.09 0.00 0.00 42.92 42.01 3dtw s ASP 857 CO 0.36 -0.39 0.00 0.29 0.70 0.00 0.00 175.17 176.13 3dtw n LYS 858 N 5.29 0.00 -0.02 2.11 5.02 -1.26 -5.04 118.16 124.26 3dtw n LYS 858 Ca -0.05 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.21 3dtw n LYS 858 Cb 0.46 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.45 3dtw n LYS 858 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3dtw n THR 861 N 0.00 0.21 -5.27 -0.18 -1.04 -1.26 -5.02 114.28 101.71 3dtw n THR 861 Ca 0.00 -0.07 -0.31 0.00 -2.04 0.00 0.00 64.05 61.63 3dtw n THR 861 Cb 0.00 -0.87 -0.16 0.00 -1.82 0.00 0.00 70.33 67.48 3dtw n THR 861 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dtw s ARG 863 N -0.62 0.52 -0.00 0.00 3.52 -0.22 -4.98 118.95 117.17 3dtw s ARG 863 Ca 0.10 -0.61 -0.18 0.00 -0.13 0.00 0.00 55.73 54.91 3dtw s ARG 863 Cb -0.10 0.21 -0.06 0.00 -1.56 0.00 0.00 34.95 33.44 3dtw s ARG 863 CO -0.01 -0.13 0.52 0.99 -0.81 0.00 0.00 175.30 175.87 3dtw s THR 864 N -2.03 4.94 0.27 4.11 2.01 -1.26 -0.43 115.64 123.25 3dtw s THR 864 Ca -0.10 1.08 0.02 0.00 0.31 0.00 0.00 61.69 63.00 3dtw s THR 864 Cb -0.05 -3.85 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 3dtw s THR 864 CO -0.02 0.48 0.24 0.68 -0.69 0.00 0.00 174.62 175.31 3dtw s VAL 865 N -0.51 0.00 -0.12 3.82 -7.23 0.92 -3.89 120.40 113.38 3dtw s VAL 865 Ca 0.28 -1.93 0.03 0.00 -1.81 0.00 0.00 61.98 58.54 3dtw s VAL 865 Cb -0.18 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.27 3dtw s VAL 865 CO 0.15 0.00 -0.22 0.00 -0.31 0.00 0.00 175.10 174.73 3dtw s ALA 866 N -3.76 2.26 -0.14 1.32 0.00 -0.59 -0.34 121.76 120.51 3dtw s ALA 866 Ca 0.38 -1.02 -0.00 0.00 0.00 0.00 0.00 51.96 51.32 3dtw s ALA 866 Cb 0.04 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.20 3dtw s ALA 866 CO 0.19 0.13 -0.14 0.08 0.00 0.00 0.00 175.76 176.02 3dtw s VAL 867 N 0.58 2.88 -0.30 0.00 1.01 0.18 -1.63 120.40 123.13 3dtw s VAL 867 Ca -0.12 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 3dtw s VAL 867 Cb -0.17 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 3dtw s VAL 867 CO 0.04 0.52 0.14 -0.75 0.00 0.00 0.00 175.10 175.04 3dtw s LYS 868 N 0.58 3.45 0.04 2.72 2.20 -0.49 -0.20 119.74 128.05 3dtw s LYS 868 Ca -0.08 -0.64 0.02 0.00 -0.36 0.00 0.00 55.97 54.90 3dtw s LYS 868 Cb -0.16 -3.52 -0.03 0.00 -1.51 0.00 0.00 37.83 32.62 3dtw s LYS 868 CO 0.03 -0.35 -0.07 0.00 -0.36 0.00 0.00 175.35 174.61 3dtw s MET 869 N 1.62 0.52 0.99 4.03 0.23 -0.94 -1.46 119.30 124.30 3dtw s MET 869 Ca 0.05 -0.81 -0.17 0.00 -1.03 0.00 0.00 55.69 53.73 3dtw s MET 869 Cb -0.17 -0.18 0.21 0.00 -1.53 0.00 0.00 34.83 33.17 3dtw s MET 869 CO 0.06 0.02 1.32 -0.51 -2.03 0.00 0.00 175.02 173.88 3dtw s LEU 870 N -1.78 2.60 0.00 0.18 1.43 -1.24 -2.20 118.68 117.67 3dtw s LEU 870 Ca -0.08 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 3dtw s LEU 870 Cb -0.07 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 43.90 3dtw s LEU 870 CO -0.01 -2.88 0.00 0.29 0.23 0.00 0.00 176.35 173.98 3dtw n LYS 871 N -3.86 2.46 -3.22 1.70 5.02 -1.26 -4.89 118.16 114.11 3dtw n LYS 871 Ca 0.16 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 56.07 3dtw n LYS 871 Cb 0.59 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.54 3dtw n LYS 871 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3dtw s GLU 872 N 2.16 4.22 -0.46 1.97 8.01 -1.26 -4.34 118.70 129.01 3dtw s GLU 872 Ca 0.00 0.77 0.00 0.00 0.01 0.00 0.00 54.97 55.75 3dtw s GLU 872 Cb 0.00 -3.13 0.00 0.00 -4.31 0.00 0.00 34.13 26.69 3dtw s GLU 872 CO 0.00 0.57 0.00 0.41 0.01 0.00 0.00 175.26 176.25 3dtw n GLY 873 N 1.39 0.41 3.49 -1.39 0.00 -1.26 -4.96 105.19 102.87 3dtw n GLY 873 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 3dtw n GLY 873 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dtw n ALA 874 N 0.67 -2.25 -1.73 4.61 0.00 -1.26 -4.87 120.51 115.68 3dtw n ALA 874 Ca -0.04 -0.77 -0.42 0.00 0.00 0.00 0.00 53.44 52.20 3dtw n ALA 874 Cb 0.38 -1.93 -0.03 0.00 0.00 0.00 0.00 19.45 17.87 3dtw n ALA 874 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3dtw s THR 875 N -2.46 2.90 0.41 0.00 2.01 -1.26 -4.82 115.64 112.42 3dtw s THR 875 Ca 0.62 0.12 0.34 0.00 0.31 0.00 0.00 61.69 63.08 3dtw s THR 875 Cb -0.21 -3.08 0.52 0.00 0.01 0.00 0.00 72.50 69.74 3dtw s THR 875 CO 0.64 -0.01 1.31 1.57 -0.69 0.00 0.00 174.62 177.44 3dtw n HIS 876 N 6.76 0.32 0.25 4.92 -0.00 -1.26 0.18 115.22 126.38 3dtw n HIS 876 Ca 0.19 0.32 -0.16 0.00 0.46 0.00 0.00 57.72 58.53 3dtw n HIS 876 Cb 0.40 -0.74 -0.08 0.00 -0.12 0.00 0.00 29.99 29.46 3dtw n HIS 876 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 3dtw h SER 877 N 0.00 -0.58 -0.98 0.26 0.02 -1.99 -1.03 113.55 109.26 3dtw h SER 877 Ca 0.76 0.03 0.24 0.00 -0.84 0.00 0.00 61.79 61.99 3dtw h SER 877 Cb 2.76 0.16 -0.07 0.00 0.14 0.00 0.00 62.40 65.39 3dtw h SER 877 CO -0.21 -0.38 0.65 -0.33 -1.14 0.00 0.00 176.83 175.41 3dtw h GLU 878 N -0.62 0.33 0.43 3.45 5.08 0.15 0.56 114.58 123.97 3dtw h GLU 878 Ca -0.05 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3dtw h GLU 878 Cb 0.49 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3dtw h GLU 878 CO 0.07 0.22 -0.21 1.25 -1.00 0.00 0.00 179.01 179.34 3dtw h HIS 879 N 0.34 -0.54 -0.91 4.33 2.76 -1.23 0.34 115.15 120.25 3dtw h HIS 879 Ca 0.52 -0.01 0.19 0.00 -2.20 0.00 0.00 60.37 58.87 3dtw h HIS 879 Cb 1.42 0.18 -0.11 0.00 1.55 0.00 0.00 27.41 30.45 3dtw h HIS 879 CO -0.00 -0.23 0.48 0.00 -1.30 0.00 0.00 177.93 176.87 3dtw h ARG 880 N -0.81 0.57 -0.09 5.26 2.47 0.96 0.07 114.38 122.80 3dtw h ARG 880 Ca -0.06 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.62 3dtw h ARG 880 Cb 0.55 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.74 3dtw h ARG 880 CO 0.10 0.38 0.01 0.00 0.56 0.00 0.00 179.97 181.02 3dtw h ALA 881 N 1.64 0.12 -0.97 0.04 0.00 0.10 -1.96 119.26 118.23 3dtw h ALA 881 Ca 0.53 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.31 3dtw h ALA 881 Cb 0.88 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 3dtw h ALA 881 CO -0.43 -0.22 0.64 1.25 0.00 0.00 0.00 179.25 180.49 3dtw h LEU 882 N -0.09 1.09 -0.05 0.00 5.85 0.17 -0.51 115.31 121.77 3dtw h LEU 882 Ca 0.03 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3dtw h LEU 882 Cb 0.29 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 3dtw h LEU 882 CO 0.00 0.78 0.03 0.24 -0.34 0.00 0.00 178.44 179.15 3dtw h MET 883 N 1.28 0.07 0.00 1.25 2.86 -0.89 -1.99 114.93 117.53 3dtw h MET 883 Ca 0.36 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.95 3dtw h MET 883 Cb -0.11 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 3dtw h MET 883 CO -0.09 0.14 -0.22 0.66 1.06 0.00 0.00 176.91 178.47 3dtw h SER 884 N -0.01 0.00 -0.48 1.22 4.64 -0.99 -0.04 113.55 117.89 3dtw h SER 884 Ca 0.02 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.25 3dtw h SER 884 Cb 0.09 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 3dtw h SER 884 CO -0.00 0.22 -0.05 -0.08 -0.87 0.00 0.00 176.83 176.05 3dtw h GLU 885 N 0.00 0.88 -0.18 4.77 4.81 -0.82 -1.47 114.58 122.58 3dtw h GLU 885 Ca -0.00 -0.31 -0.01 0.00 -0.13 0.00 0.00 59.36 58.91 3dtw h GLU 885 Cb 0.41 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 3dtw h GLU 885 CO 0.03 0.95 0.06 1.25 -0.73 0.00 0.00 179.01 180.57 3dtw h LEU 886 N 0.74 0.26 -1.42 1.64 5.85 -0.53 -2.36 115.31 119.48 3dtw h LEU 886 Ca 0.13 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 3dtw h LEU 886 Cb 0.58 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 3dtw h LEU 886 CO 0.03 0.38 0.05 0.11 -0.34 0.00 0.00 178.44 178.67 3dtw h LYS 887 N 0.12 0.43 -0.38 1.25 1.57 -0.97 -1.51 116.57 117.08 3dtw h LYS 887 Ca 0.06 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3dtw h LYS 887 Cb 0.21 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3dtw h LYS 887 CO -0.00 0.42 0.16 0.82 -0.57 0.00 0.00 179.45 180.28 3dtw h ILE 888 N 0.42 1.19 -0.56 1.86 2.04 -1.01 0.91 117.51 122.37 3dtw h ILE 888 Ca 0.10 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 3dtw h ILE 888 Cb 0.20 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 3dtw h ILE 888 CO -0.00 0.20 0.28 -0.07 0.00 0.00 0.00 178.15 178.57 3dtw h LEU 889 N 0.47 0.69 -0.68 1.44 3.38 -0.89 0.18 115.31 119.90 3dtw h LEU 889 Ca 0.13 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 3dtw h LEU 889 Cb 0.16 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3dtw h LEU 889 CO -0.01 0.58 -0.36 0.40 0.09 0.00 0.00 178.44 179.14 3dtw h ILE 890 N 0.78 1.29 0.00 1.22 2.04 -0.72 -2.92 117.51 119.20 3dtw h ILE 890 Ca 0.20 -1.50 -0.00 0.00 1.00 0.00 0.00 64.86 64.55 3dtw h ILE 890 Cb 0.06 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 3dtw h ILE 890 CO -0.03 0.48 -0.00 -0.74 0.00 0.00 0.00 178.15 177.86 3dtw h HIS 891 N 0.52 -0.00 -0.48 1.37 2.76 0.08 -3.27 115.15 116.12 3dtw h HIS 891 Ca 0.05 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.32 3dtw h HIS 891 Cb 0.86 0.00 -0.09 0.00 1.55 0.00 0.00 27.41 29.73 3dtw h HIS 891 CO 0.04 0.45 -0.11 0.82 -1.30 0.00 0.00 177.93 177.83 3dtw h ILE 892 N -0.46 0.53 0.00 6.26 2.04 -0.67 -3.48 117.51 121.72 3dtw h ILE 892 Ca -0.00 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3dtw h ILE 892 Cb 0.45 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 3dtw h ILE 892 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.76 3dtw n GLY 893 N -1.35 -1.70 3.82 5.37 0.00 -1.11 -4.98 105.19 105.26 3dtw n GLY 893 Ca 0.04 -2.03 -0.37 0.00 0.00 0.00 0.00 46.02 43.67 3dtw n GLY 893 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3dtw s HIS 894 N 0.00 3.56 -0.16 1.61 2.46 -1.26 -4.97 115.29 116.53 3dtw s HIS 894 Ca 0.00 0.57 -0.15 0.00 0.47 0.00 0.00 55.06 55.96 3dtw s HIS 894 Cb 0.00 -2.10 0.04 0.00 -0.13 0.00 0.00 32.58 30.40 3dtw s HIS 894 CO 0.00 0.56 0.43 -1.58 -2.47 0.00 0.00 174.74 171.68 3dtw s HIS 895 N -0.55 -0.48 0.51 3.88 5.04 -1.26 -5.04 115.29 117.39 3dtw s HIS 895 Ca 0.15 1.16 0.20 0.00 -1.54 0.00 0.00 55.06 55.03 3dtw s HIS 895 Cb -0.13 0.17 1.29 0.00 0.04 0.00 0.00 32.58 33.95 3dtw s HIS 895 CO 0.04 -0.23 2.04 1.25 -2.34 0.00 0.00 174.74 175.50 3dtw h LEU 896 N 5.54 0.07 -2.89 8.88 5.85 -1.97 -2.55 115.31 128.24 3dtw h LEU 896 Ca -0.27 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3dtw h LEU 896 Cb 1.18 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3dtw h LEU 896 CO 0.24 0.04 0.00 0.59 -0.34 0.00 0.00 178.44 178.97 3dtw n ASN 897 N -4.44 4.44 -4.03 1.25 5.03 -1.26 -4.80 115.26 111.45 3dtw n ASN 897 Ca 0.06 -2.44 -0.28 0.00 0.87 0.00 0.00 54.58 52.79 3dtw n ASN 897 Cb 0.42 -0.56 -0.17 0.00 -1.02 0.00 0.00 39.78 38.45 3dtw n ASN 897 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3dtw s VAL 898 N -1.89 1.41 0.03 2.41 1.01 -0.96 -0.69 120.40 121.72 3dtw s VAL 898 Ca 0.47 -0.58 -0.31 0.00 0.00 0.00 0.00 61.98 61.56 3dtw s VAL 898 Cb 0.31 -1.30 -0.16 0.00 0.00 0.00 0.00 36.38 35.22 3dtw s VAL 898 CO 0.22 0.42 0.79 0.55 0.00 0.00 0.00 175.10 177.08 3dtw n VAL 899 N 4.30 0.29 -3.17 2.92 3.14 -0.36 -4.63 118.33 120.83 3dtw n VAL 899 Ca -0.19 -0.07 -0.39 0.00 -2.96 0.00 0.00 64.34 60.73 3dtw n VAL 899 Cb 0.51 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.23 3dtw n VAL 899 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 3dtw s ASN 900 N -0.14 6.72 -0.17 6.55 0.02 -1.26 -4.96 114.94 121.69 3dtw s ASN 900 Ca 0.70 0.87 -0.29 0.00 -1.02 0.00 0.00 52.86 53.11 3dtw s ASN 900 Cb -0.98 -2.34 -0.00 0.00 0.02 0.00 0.00 41.25 37.95 3dtw s ASN 900 CO 0.46 -0.17 1.09 -0.22 0.02 0.00 0.00 177.10 178.28 3dtw s LEU 901 N 1.39 4.16 -0.18 0.60 2.96 -1.26 0.14 118.68 126.50 3dtw s LEU 901 Ca 0.29 1.52 0.15 0.00 -0.22 0.00 0.00 54.13 55.87 3dtw s LEU 901 Cb -0.16 -3.54 -0.22 0.00 0.50 0.00 0.00 46.19 42.77 3dtw s LEU 901 CO 0.12 -0.63 0.04 0.18 -1.32 0.00 0.00 176.35 174.74 3dtw n LEU 902 N 5.99 0.19 0.00 -0.68 4.77 0.14 -4.91 117.00 122.51 3dtw n LEU 902 Ca 0.12 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3dtw n LEU 902 Cb 0.46 0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 3dtw n LEU 902 CO 0.53 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 3dtw n GLY 903 N 1.92 1.07 3.64 -0.72 0.00 -0.73 -4.96 105.19 105.41 3dtw n GLY 903 Ca -0.30 -0.75 -0.05 0.00 0.00 0.00 0.00 46.02 44.92 3dtw n GLY 903 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dtw s ALA 904 N -1.00 -2.12 -0.34 4.61 0.00 -0.40 -1.41 121.76 121.12 3dtw s ALA 904 Ca 0.00 1.75 -0.06 0.00 0.00 0.00 0.00 51.96 53.65 3dtw s ALA 904 Cb 0.00 -1.56 0.04 0.00 0.00 0.00 0.00 23.12 21.60 3dtw s ALA 904 CO 0.00 -0.17 0.10 0.00 0.00 0.00 0.00 175.76 175.68 3dtw n THR 906 N 4.81 0.18 -1.42 0.00 -2.24 -1.26 -1.93 114.28 112.42 3dtw n THR 906 Ca -0.13 -0.11 -0.34 0.00 -2.27 0.00 0.00 64.05 61.21 3dtw n THR 906 Cb 0.45 -0.90 0.09 0.00 -2.10 0.00 0.00 70.33 67.87 3dtw n THR 906 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3dtw s LYS 907 N -2.06 2.14 0.76 -0.78 1.02 -1.26 -4.94 119.74 114.62 3dtw s LYS 907 Ca -0.02 1.70 -0.15 0.00 0.02 0.00 0.00 55.97 57.53 3dtw s LYS 907 Cb 0.01 -1.84 0.02 0.00 -0.52 0.00 0.00 37.83 35.50 3dtw s LYS 907 CO 0.10 -1.82 0.92 -2.30 -0.92 0.00 0.00 175.35 171.33 3dtw n PRO 908 N -2.79 0.34 0.00 -1.68 -0.02 -1.26 -4.27 135.00 125.32 3dtw n PRO 908 Ca 0.13 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 3dtw n PRO 908 Cb 0.51 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3dtw n PRO 908 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dtw n GLY 909 N 1.07 2.10 1.33 -1.23 0.00 -1.26 -5.08 105.19 102.12 3dtw n GLY 909 Ca 0.12 -0.42 -0.06 0.00 0.00 0.00 0.00 46.02 45.67 3dtw n GLY 909 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dtw n GLY 910 N 0.00 2.73 3.82 -0.02 0.00 -1.26 -5.16 105.19 105.30 3dtw n GLY 910 Ca 0.00 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.24 3dtw n GLY 910 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dtw s PRO 911 N -2.31 2.87 -0.00 1.61 0.04 -1.26 -4.99 135.00 130.95 3dtw s PRO 911 Ca 0.11 0.89 -0.30 0.00 0.04 0.00 0.00 61.00 61.74 3dtw s PRO 911 Cb -0.00 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 3dtw s PRO 911 CO 0.08 -1.13 1.18 -1.17 0.04 0.00 0.00 177.00 176.00 3dtw s LEU 912 N -5.55 4.33 -0.02 -3.56 2.96 -1.26 -4.83 118.68 110.74 3dtw s LEU 912 Ca 0.58 1.88 0.02 0.00 -0.22 0.00 0.00 54.13 56.39 3dtw s LEU 912 Cb -0.14 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.99 3dtw s LEU 912 CO 0.55 -0.50 -0.07 -0.04 -1.32 0.00 0.00 176.35 174.97 3dtw s MET 913 N 1.62 0.70 -0.22 1.98 -1.94 -0.81 -3.73 119.30 116.90 3dtw s MET 913 Ca 0.57 -0.21 -0.03 0.00 -1.71 0.00 0.00 55.69 54.30 3dtw s MET 913 Cb -0.26 -0.69 -0.00 0.00 2.01 0.00 0.00 34.83 35.89 3dtw s MET 913 CO 0.25 0.08 -0.05 0.08 -0.01 0.00 0.00 175.02 175.37 3dtw s VAL 914 N 0.21 3.26 -0.24 -6.03 1.01 -0.54 -1.10 120.40 116.98 3dtw s VAL 914 Ca -0.03 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 3dtw s VAL 914 Cb -0.07 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 3dtw s VAL 914 CO -0.00 0.42 0.09 -0.63 0.00 0.00 0.00 175.10 174.98 3dtw s ILE 915 N 1.46 4.64 0.35 2.22 1.01 -0.50 -1.39 121.20 129.00 3dtw s ILE 915 Ca 0.05 -0.06 0.08 0.00 0.00 0.00 0.00 60.65 60.71 3dtw s ILE 915 Cb -0.14 -3.16 -0.07 0.00 0.01 0.00 0.00 42.46 39.10 3dtw s ILE 915 CO -0.04 0.35 -0.04 0.42 0.00 0.00 0.00 174.94 175.63 3dtw s THR 916 N 1.36 1.94 1.00 2.92 -4.23 -0.64 0.28 115.64 118.26 3dtw s THR 916 Ca 0.06 -2.10 -0.12 0.00 -1.18 0.00 0.00 61.69 58.35 3dtw s THR 916 Cb -0.15 -2.75 0.15 0.00 1.34 0.00 0.00 72.50 71.10 3dtw s THR 916 CO 0.05 -0.13 0.86 -1.84 -0.54 0.00 0.00 174.62 173.02 3dtw n GLU 917 N -0.80 -0.93 -4.37 3.99 0.28 0.12 -1.55 120.64 117.39 3dtw n GLU 917 Ca -0.05 -0.22 -0.35 0.00 -0.16 0.00 0.00 57.16 56.38 3dtw n GLU 917 Cb 0.65 -2.16 -0.10 0.00 1.43 0.00 0.00 31.44 31.26 3dtw n GLU 917 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3dtw s PHE 918 N -2.51 3.13 -0.27 -1.84 5.36 -1.25 -4.12 117.98 116.48 3dtw s PHE 918 Ca 0.64 0.10 -0.00 0.00 -0.96 0.00 0.00 56.93 56.71 3dtw s PHE 918 Cb -0.22 -1.83 0.05 0.00 -0.34 0.00 0.00 43.02 40.67 3dtw s PHE 918 CO 0.62 0.37 -0.05 0.00 -1.46 0.00 0.00 175.22 174.70 3dtw h LYS 920 N 7.94 0.95 0.00 0.00 2.10 -1.94 -3.26 116.57 122.35 3dtw h LYS 920 Ca -0.24 -0.29 0.00 0.00 -2.00 0.00 0.00 60.65 58.12 3dtw h LYS 920 Cb 1.07 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.30 3dtw h LYS 920 CO 0.53 0.94 0.00 1.19 -2.00 0.00 0.00 179.45 180.11 3dtw n PHE 921 N -4.29 0.00 -4.10 0.07 3.01 -1.04 -5.01 117.46 106.10 3dtw n PHE 921 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 3dtw n PHE 921 Cb 0.31 -0.39 0.00 0.00 -0.01 0.00 0.00 39.48 39.39 3dtw n PHE 921 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dtw n GLY 922 N -0.02 -1.85 3.76 1.37 0.00 -1.23 -4.70 105.19 102.51 3dtw n GLY 922 Ca 0.05 -1.36 -0.38 0.00 0.00 0.00 0.00 46.02 44.33 3dtw n GLY 922 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dtw s ASN 923 N -4.00 5.52 0.38 1.61 2.20 -1.26 -1.80 114.94 117.60 3dtw s ASN 923 Ca 0.00 2.64 0.05 0.00 -0.94 0.00 0.00 52.86 54.61 3dtw s ASN 923 Cb 0.00 -2.63 0.76 0.00 -2.00 0.00 0.00 41.25 37.39 3dtw s ASN 923 CO 0.00 -1.39 2.02 0.25 -2.94 0.00 0.00 177.10 175.04 3dtw h LEU 924 N 1.62 0.53 -0.05 3.54 5.85 -0.02 -2.90 115.31 123.88 3dtw h LEU 924 Ca -0.50 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.19 3dtw h LEU 924 Cb 1.29 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 3dtw h LEU 924 CO 0.58 0.42 0.03 -1.28 -0.34 0.00 0.00 178.44 177.86 3dtw h SER 925 N 0.62 0.07 -0.48 1.25 0.87 -1.84 -1.30 113.55 112.73 3dtw h SER 925 Ca 0.16 -0.06 -0.12 0.00 -1.23 0.00 0.00 61.79 60.54 3dtw h SER 925 Cb -0.00 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 3dtw h SER 925 CO -0.03 0.10 -0.16 0.74 -0.53 0.00 0.00 176.83 176.95 3dtw h THR 926 N 0.02 1.27 -0.75 2.23 2.02 -1.89 0.71 112.91 116.52 3dtw h THR 926 Ca 0.02 -1.32 0.06 0.00 0.77 0.00 0.00 66.41 65.94 3dtw h THR 926 Cb 0.05 1.10 -0.06 0.00 -1.74 0.00 0.00 68.15 67.51 3dtw h THR 926 CO -0.00 0.46 0.45 0.22 0.37 0.00 0.00 175.52 177.01 3dtw h TYR 927 N 0.82 0.83 -0.17 3.16 3.20 -1.37 -0.64 116.97 122.80 3dtw h TYR 927 Ca 0.12 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 3dtw h TYR 927 Cb 0.73 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.74 3dtw h TYR 927 CO 0.05 0.41 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.76 3dtw h LEU 928 N 0.83 0.43 -1.82 2.82 3.38 -1.04 -2.90 115.31 117.00 3dtw h LEU 928 Ca 0.33 -0.47 0.22 0.00 0.09 0.00 0.00 57.88 58.05 3dtw h LEU 928 Cb 0.17 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3dtw h LEU 928 CO -0.17 0.81 0.59 -0.09 0.09 0.00 0.00 178.44 179.67 3dtw h ARG 929 N 0.05 0.14 -0.00 1.13 2.43 -0.19 0.39 114.38 118.33 3dtw h ARG 929 Ca 0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3dtw h ARG 929 Cb 0.69 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 3dtw h ARG 929 CO 0.04 0.09 -0.26 -1.13 -1.51 0.00 0.00 179.97 177.20 3dtw n SER 930 N -4.37 0.54 -1.23 -3.80 3.41 -0.31 -3.89 113.62 103.96 3dtw n SER 930 Ca 0.17 -0.37 0.09 0.00 -0.26 0.00 0.00 58.87 58.50 3dtw n SER 930 Cb 0.81 0.02 0.29 0.00 -0.26 0.00 0.00 64.21 65.08 3dtw n SER 930 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3dtw n LYS 931 N -1.16 3.29 0.21 4.33 4.76 0.13 -4.53 118.16 125.19 3dtw n LYS 931 Ca 0.10 -2.66 0.15 0.00 -2.87 0.00 0.00 58.31 53.03 3dtw n LYS 931 Cb 0.32 -1.69 0.76 0.00 -1.84 0.00 0.00 35.03 32.58 3dtw n LYS 931 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3dtw h ARG 932 N 3.30 0.00 -0.39 1.97 3.08 -1.67 0.26 114.38 120.93 3dtw h ARG 932 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dtw h ARG 932 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3dtw h ARG 932 CO 0.14 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 179.13 3dtw n ASN 933 N -2.52 3.84 -2.83 7.04 5.03 -1.26 -4.49 115.26 120.06 3dtw n ASN 933 Ca -0.01 -2.54 -0.12 0.00 0.87 0.00 0.00 54.58 52.78 3dtw n ASN 933 Cb 0.08 -0.45 0.02 0.00 -1.02 0.00 0.00 39.78 38.40 3dtw n ASN 933 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3dtw n GLU 934 N 0.26 1.09 -4.55 3.52 1.02 0.90 -5.10 120.64 117.78 3dtw n GLU 934 Ca 0.19 -3.19 -0.22 0.00 -0.02 0.00 0.00 57.16 53.92 3dtw n GLU 934 Cb 0.75 -1.32 -0.15 0.00 -0.02 0.00 0.00 31.44 30.69 3dtw n GLU 934 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3dtw s PHE 935 N -2.67 1.17 -0.09 -0.32 2.19 -1.22 -0.24 117.98 116.80 3dtw s PHE 935 Ca 0.31 -0.28 -0.05 0.00 0.33 0.00 0.00 56.93 57.23 3dtw s PHE 935 Cb 0.42 -0.79 0.04 0.00 -1.31 0.00 0.00 43.02 41.37 3dtw s PHE 935 CO -0.01 -0.08 0.21 0.14 1.83 0.00 0.00 175.22 177.32 3dtw s VAL 936 N -0.02 -0.03 0.45 3.12 -7.23 -0.75 -4.97 120.40 110.98 3dtw s VAL 936 Ca -0.00 0.10 0.26 0.00 -1.81 0.00 0.00 61.98 60.53 3dtw s VAL 936 Cb -0.08 -0.32 0.46 0.00 0.56 0.00 0.00 36.38 37.00 3dtw s VAL 936 CO 0.00 0.04 1.76 1.55 -0.31 0.00 0.00 175.10 178.14 3dtw h PRO 937 N 6.74 0.21 -2.01 4.82 0.13 -1.95 -3.36 132.00 136.58 3dtw h PRO 937 Ca -0.36 -0.01 0.24 0.00 -0.87 0.00 0.00 66.00 64.99 3dtw h PRO 937 Cb 1.17 -0.05 -0.09 0.00 0.13 0.00 0.00 31.00 32.16 3dtw h PRO 937 CO 0.39 0.14 0.63 1.52 -0.23 0.00 0.00 178.00 180.44 3dtw s TYR 938 N -5.28 -0.08 0.18 1.56 -0.85 -1.26 -2.79 117.35 108.83 3dtw s TYR 938 Ca -0.07 -0.15 0.09 0.00 -0.52 0.00 0.00 57.07 56.42 3dtw s TYR 938 Cb 0.25 0.61 -0.04 0.00 0.38 0.00 0.00 41.96 43.16 3dtw s TYR 938 CO 0.81 -0.62 -0.11 0.15 -1.52 0.00 0.00 175.55 174.25 3dtw s LYS 939 N -2.87 2.00 0.21 -3.49 1.02 -1.26 -5.09 119.74 110.26 3dtw s LYS 939 Ca 0.14 -1.31 -0.10 0.00 0.02 0.00 0.00 55.97 54.72 3dtw s LYS 939 Cb 0.01 -2.12 -0.01 0.00 -0.52 0.00 0.00 37.83 35.19 3dtw s LYS 939 CO 0.00 0.43 0.36 0.14 -0.92 0.00 0.00 175.35 175.36 3dtw s VAL 990 N -1.72 0.02 0.21 3.17 -7.23 -1.26 -4.45 120.40 109.14 3dtw s VAL 990 Ca 0.25 -1.47 -0.31 0.00 -1.81 0.00 0.00 61.98 58.64 3dtw s VAL 990 Cb -0.09 -2.11 -0.10 0.00 0.56 0.00 0.00 36.38 34.64 3dtw s VAL 990 CO 0.15 -0.10 1.48 0.00 -0.31 0.00 0.00 175.10 176.31 3dtw s ALA 991 N -4.02 3.67 -0.85 1.32 0.00 -1.24 -1.01 121.76 119.63 3dtw s ALA 991 Ca 0.23 1.32 -0.21 0.00 0.00 0.00 0.00 51.96 53.30 3dtw s ALA 991 Cb 0.02 -3.58 0.09 0.00 0.00 0.00 0.00 23.12 19.65 3dtw s ALA 991 CO 0.06 -0.74 1.16 -1.25 0.00 0.00 0.00 175.76 174.99 3dtw s PRO 992 N 0.23 3.41 0.00 0.00 0.04 -1.26 -5.05 135.00 132.38 3dtw s PRO 992 Ca 0.63 -1.22 0.00 0.00 0.04 0.00 0.00 61.00 60.45 3dtw s PRO 992 Cb -0.42 -4.74 0.00 0.00 0.04 0.00 0.00 34.50 29.38 3dtw s PRO 992 CO 0.38 -1.91 0.29 -0.85 0.04 0.00 0.00 177.00 174.95 3dtw n GLU 993 N 7.63 0.00 -0.01 4.56 0.28 -0.18 -2.26 120.64 130.66 3dtw n GLU 993 Ca 0.16 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.28 3dtw n GLU 993 Cb 0.48 -1.38 0.64 0.00 1.43 0.00 0.00 31.44 32.61 3dtw n GLU 993 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3dtw n ASP 994 N -0.76 0.38 0.00 -1.84 5.68 -1.26 -2.63 116.55 116.12 3dtw n ASP 994 Ca 0.00 -1.34 0.11 0.00 -0.50 0.00 0.00 54.79 53.06 3dtw n ASP 994 Cb 0.00 -0.02 0.09 0.00 -1.14 0.00 0.00 41.12 40.05 3dtw n ASP 994 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 3dtw n LEU 995 N -0.60 0.69 -1.23 -2.12 7.94 -0.96 -3.99 117.00 116.73 3dtw n LEU 995 Ca 0.18 -0.18 -0.07 0.00 -1.11 0.00 0.00 56.01 54.83 3dtw n LEU 995 Cb 0.14 -0.14 0.17 0.00 0.53 0.00 0.00 43.42 44.13 3dtw n LEU 995 CO 0.14 0.16 0.60 -1.22 -1.11 0.00 0.00 177.39 175.96 3dtw n TYR 996 N -1.56 1.21 -1.82 1.96 4.01 -1.08 -5.04 117.16 114.84 3dtw n TYR 996 Ca 0.04 -1.74 -0.42 0.00 -0.16 0.00 0.00 57.90 55.63 3dtw n TYR 996 Cb 0.35 -0.48 -0.02 0.00 -0.31 0.00 0.00 39.34 38.88 3dtw n TYR 996 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3dtw s LYS 997 N -3.33 4.15 -1.39 -0.72 2.20 -1.26 -2.28 119.74 117.12 3dtw s LYS 997 Ca 0.45 2.52 -0.07 0.00 -0.36 0.00 0.00 55.97 58.51 3dtw s LYS 997 Cb 0.41 -3.06 0.04 0.00 -1.51 0.00 0.00 37.83 33.70 3dtw s LYS 997 CO -0.01 -0.62 0.97 -0.25 -0.36 0.00 0.00 175.35 175.07 3dtw n ASP 998 N 2.72 -3.96 -4.62 1.43 8.00 -1.26 -4.98 116.55 113.89 3dtw n ASP 998 Ca 0.10 -0.71 -0.33 0.00 0.71 0.00 0.00 54.79 54.56 3dtw n ASP 998 Cb 0.37 -4.37 -0.10 0.00 -0.02 0.00 0.00 41.12 37.00 3dtw n ASP 998 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dtw s PHE 999 N -3.40 2.95 0.21 1.24 0.40 -0.97 -4.98 117.98 113.43 3dtw s PHE 999 Ca 0.40 0.01 -0.21 0.00 -0.60 0.00 0.00 56.93 56.52 3dtw s PHE 999 Cb -0.19 -1.64 -0.08 0.00 0.51 0.00 0.00 43.02 41.61 3dtw s PHE 999 CO 0.79 0.39 0.74 -0.51 0.70 0.00 0.00 175.22 177.33 3dtw s LEU 1000N -1.33 4.39 0.29 -0.37 1.43 0.67 -4.94 118.68 118.81 3dtw s LEU 1000Ca 0.17 1.48 0.03 0.00 -1.03 0.00 0.00 54.13 54.78 3dtw s LEU 1000Cb -0.11 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 3dtw s LEU 1000CO 0.07 0.06 0.18 0.42 0.23 0.00 0.00 176.35 177.32 3dtw s THR 1001N -1.45 0.17 0.26 5.49 -4.23 -1.26 -1.80 115.64 112.81 3dtw s THR 1001Ca 0.42 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.90 3dtw s THR 1001Cb -0.18 -2.50 0.24 0.00 1.34 0.00 0.00 72.50 71.40 3dtw s THR 1001CO 0.22 0.00 1.84 -0.07 -0.54 0.00 0.00 174.62 176.06 3dtw h LEU 1002N 2.28 0.82 -0.85 4.79 3.38 -1.66 -1.33 115.31 122.74 3dtw h LEU 1002Ca -0.32 0.04 0.09 0.00 0.09 0.00 0.00 57.88 57.78 3dtw h LEU 1002Cb 1.25 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.79 3dtw h LEU 1002CO 0.48 0.48 0.50 -0.08 0.09 0.00 0.00 178.44 179.92 3dtw h GLU 1003N 0.94 0.83 -0.08 1.13 4.81 -1.93 0.12 114.58 120.39 3dtw h GLU 1003Ca 0.42 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.60 3dtw h GLU 1003Cb 0.32 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 3dtw h GLU 1003CO -0.23 0.55 0.04 0.45 -0.73 0.00 0.00 179.01 179.09 3dtw h HIS 1004N 0.85 0.11 -0.57 0.92 3.86 -1.66 0.14 115.15 118.81 3dtw h HIS 1004Ca 0.40 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.62 3dtw h HIS 1004Cb 0.33 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.73 3dtw h HIS 1004CO -0.05 0.18 0.36 -0.07 0.86 0.00 0.00 177.93 179.22 3dtw h LEU 1005N 0.01 0.61 -0.63 2.43 3.38 -0.79 -0.05 115.31 120.28 3dtw h LEU 1005Ca 0.03 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 3dtw h LEU 1005Cb 0.11 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3dtw h LEU 1005CO -0.00 0.44 -0.65 0.40 0.09 0.00 0.00 178.44 178.71 3dtw h ILE 1006N 0.73 1.43 -0.29 1.22 2.04 -0.73 -2.53 117.51 119.38 3dtw h ILE 1006Ca 0.22 -2.14 -0.04 0.00 1.00 0.00 0.00 64.86 63.90 3dtw h ILE 1006Cb -0.04 2.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 3dtw h ILE 1006CO -0.07 0.62 0.03 0.00 0.00 0.00 0.00 178.15 178.74 3dtw h TYR 1008N 0.30 1.03 -0.18 0.00 0.05 -0.99 -0.98 116.97 116.20 3dtw h TYR 1008Ca 0.09 -0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.72 3dtw h TYR 1008Cb 0.36 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 3dtw h TYR 1008CO 0.03 0.74 -0.36 0.77 -1.05 0.00 0.00 178.16 178.28 3dtw h SER 1009N 1.05 0.39 0.03 3.88 0.02 -1.15 -2.11 113.55 115.66 3dtw h SER 1009Ca 0.26 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3dtw h SER 1009Cb 0.07 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.50 3dtw h SER 1009CO -0.04 0.73 -0.01 0.15 -1.14 0.00 0.00 176.83 176.52 3dtw h PHE 1010N 0.32 -0.04 -0.48 3.45 3.57 -0.15 -2.71 116.94 120.91 3dtw h PHE 1010Ca 0.04 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.57 3dtw h PHE 1010Cb 0.79 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.50 3dtw h PHE 1010CO 0.02 0.34 0.24 1.96 -2.23 0.00 0.00 178.31 178.64 3dtw h GLN 1011N -0.42 0.47 -0.40 1.11 4.20 -1.15 -0.66 115.11 118.26 3dtw h GLN 1011Ca -0.00 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3dtw h GLN 1011Cb 0.39 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 3dtw h GLN 1011CO 0.01 0.31 0.17 0.28 -0.67 0.00 0.00 178.83 178.93 3dtw h VAL 1012N 0.48 1.15 -0.32 -0.54 2.07 -1.43 -0.45 116.25 117.21 3dtw h VAL 1012Ca 0.21 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 67.18 3dtw h VAL 1012Cb 0.10 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3dtw h VAL 1012CO -0.14 0.18 -0.17 0.00 0.02 0.00 0.00 177.57 177.46 3dtw h ALA 1013N 1.63 0.46 -0.58 1.67 0.00 -0.99 -1.76 119.26 119.69 3dtw h ALA 1013Ca 0.14 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3dtw h ALA 1013Cb 0.10 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3dtw h ALA 1013CO -0.02 0.37 0.20 0.87 0.00 0.00 0.00 179.25 180.68 3dtw h LYS 1014N 0.45 0.86 0.00 0.00 1.57 -0.40 0.84 116.57 119.89 3dtw h LYS 1014Ca 0.07 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 3dtw h LYS 1014Cb 0.70 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 3dtw h LYS 1014CO 0.05 0.73 -0.33 0.78 -0.57 0.00 0.00 179.45 180.11 3dtw h GLY 1015N 0.97 0.00 1.58 3.86 0.00 -0.92 -1.22 103.07 107.35 3dtw h GLY 1015Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.26 3dtw h GLY 1015CO -0.01 0.00 -1.29 -0.33 0.00 0.00 0.00 176.54 174.91 3dtw h MET 1016N 0.00 0.14 -0.61 4.80 2.86 -0.53 -1.91 114.93 119.68 3dtw h MET 1016Ca -0.00 -0.24 -0.07 0.00 -2.06 0.00 0.00 59.70 57.32 3dtw h MET 1016Cb 0.75 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.47 3dtw h MET 1016CO 0.04 1.03 0.10 1.49 1.06 0.00 0.00 176.91 180.64 3dtw h GLU 1017N 0.04 0.98 0.57 1.72 4.81 -0.60 0.27 114.58 122.38 3dtw h GLU 1017Ca -0.14 -0.25 -0.03 0.00 -0.13 0.00 0.00 59.36 58.82 3dtw h GLU 1017Cb 1.92 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 31.18 3dtw h GLU 1017CO 0.15 0.91 -0.28 0.35 -0.73 0.00 0.00 179.01 179.41 3dtw h PHE 1018N 0.93 -0.72 -0.99 0.92 3.57 -1.21 -0.60 116.94 118.84 3dtw h PHE 1018Ca 0.19 -0.02 0.21 0.00 3.53 0.00 0.00 57.97 61.88 3dtw h PHE 1018Cb 0.40 0.24 -0.10 0.00 2.79 0.00 0.00 35.95 39.29 3dtw h PHE 1018CO 0.03 -0.45 0.62 -0.07 -2.23 0.00 0.00 178.31 176.21 3dtw h LEU 1019N -0.77 0.63 -0.75 0.59 3.38 -1.24 0.58 115.31 117.73 3dtw h LEU 1019Ca -0.08 0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 3dtw h LEU 1019Cb 0.59 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3dtw h LEU 1019CO 0.13 0.21 0.00 0.00 0.09 0.00 0.00 178.44 178.87 3dtw h ALA 1020N 1.64 0.95 0.00 1.53 0.00 -0.32 -1.33 119.26 121.72 3dtw h ALA 1020Ca 0.56 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3dtw h ALA 1020Cb 1.10 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3dtw h ALA 1020CO -0.32 0.63 0.00 -1.13 0.00 0.00 0.00 179.25 178.44 3dtw n SER 1021N -4.19 0.03 -0.58 0.00 3.41 0.17 -1.89 113.62 110.57 3dtw n SER 1021Ca 0.03 0.51 0.08 0.00 -0.26 0.00 0.00 58.87 59.23 3dtw n SER 1021Cb 0.33 -0.51 0.20 0.00 -0.26 0.00 0.00 64.21 63.97 3dtw n SER 1021CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3dtw n ARG 1022N -1.54 2.40 -1.12 4.33 1.74 -0.83 -4.96 116.66 116.68 3dtw n ARG 1022Ca 0.02 -2.65 -0.04 0.00 -0.77 0.00 0.00 57.85 54.41 3dtw n ARG 1022Cb 0.11 -1.66 -0.02 0.00 -1.02 0.00 0.00 32.46 29.87 3dtw n ARG 1022CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3dtw n LYS 1023N -0.73 -1.02 -2.03 5.56 5.02 -0.79 -5.00 118.16 119.16 3dtw n LYS 1023Ca 0.18 0.51 -0.30 0.00 -2.02 0.00 0.00 58.31 56.68 3dtw n LYS 1023Cb 0.75 -4.41 0.02 0.00 -0.02 0.00 0.00 35.03 31.37 3dtw n LYS 1023CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dtw s ILE 1025N -3.14 -0.47 0.13 0.00 1.01 -1.26 -4.44 121.20 113.03 3dtw s ILE 1025Ca 0.55 -0.18 -0.24 0.00 0.00 0.00 0.00 60.65 60.77 3dtw s ILE 1025Cb -0.11 -0.82 -0.02 0.00 0.01 0.00 0.00 42.46 41.52 3dtw s ILE 1025CO 0.51 -0.23 1.63 -0.74 0.00 0.00 0.00 174.94 176.12 3dtw h HIS 1026N 8.24 -0.68 0.00 3.97 2.76 -1.96 -3.46 115.15 124.02 3dtw h HIS 1026Ca -0.17 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.03 3dtw h HIS 1026Cb 1.14 0.31 0.00 0.00 1.55 0.00 0.00 27.41 30.41 3dtw h HIS 1026CO 0.17 -0.34 0.00 0.54 -1.30 0.00 0.00 177.93 177.00 3dtw n ARG 1027N -5.37 0.00 -2.72 5.26 1.74 -1.26 -4.74 116.66 109.57 3dtw n ARG 1027Ca -0.03 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.96 3dtw n ARG 1027Cb 0.29 -1.41 0.09 0.00 -1.02 0.00 0.00 32.46 30.41 3dtw n ARG 1027CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3dtw n ASP 1028N 0.00 -1.13 -4.63 0.55 2.03 -1.26 -5.05 116.55 107.05 3dtw n ASP 1028Ca 0.00 -2.71 -0.43 0.00 0.52 0.00 0.00 54.79 52.17 3dtw n ASP 1028Cb 0.00 0.74 -0.02 0.00 -0.72 0.00 0.00 41.12 41.12 3dtw n ASP 1028CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3dtw s LEU 1029N -3.02 3.89 0.27 -2.67 2.96 -1.26 -4.85 118.68 114.00 3dtw s LEU 1029Ca 0.24 0.96 -0.14 0.00 -0.22 0.00 0.00 54.13 54.98 3dtw s LEU 1029Cb 0.40 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.55 3dtw s LEU 1029CO -0.06 -0.94 0.54 0.00 -1.32 0.00 0.00 176.35 174.58 3dtw s ALA 1030N 3.77 -0.37 0.36 5.97 0.00 -1.26 -4.64 121.76 125.60 3dtw s ALA 1030Ca 0.46 -0.82 0.19 0.00 0.00 0.00 0.00 51.96 51.79 3dtw s ALA 1030Cb -0.11 1.01 1.01 0.00 0.00 0.00 0.00 23.12 25.02 3dtw s ALA 1030CO 0.18 -0.89 1.92 0.00 0.00 0.00 0.00 175.76 176.97 3dtw h ALA 1031N 2.18 1.34 0.00 0.00 0.00 -1.93 -1.86 119.26 118.99 3dtw h ALA 1031Ca -0.25 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3dtw h ALA 1031Cb 1.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3dtw h ALA 1031CO 0.34 0.32 0.00 2.89 0.00 0.00 0.00 179.25 182.80 3dtw n ARG 1032N -3.89 0.11 -0.74 0.00 1.85 -1.26 -2.42 116.66 110.31 3dtw n ARG 1032Ca -0.02 0.41 -0.02 0.00 -1.00 0.00 0.00 57.85 57.22 3dtw n ARG 1032Cb 0.34 -1.74 0.22 0.00 -1.05 0.00 0.00 32.46 30.22 3dtw n ARG 1032CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3dtw n ASN 1033N -1.96 3.09 -4.14 2.89 3.02 -0.70 -4.82 115.26 112.64 3dtw n ASN 1033Ca 0.02 -3.52 -0.32 0.00 -0.03 0.00 0.00 54.58 50.73 3dtw n ASN 1033Cb 0.16 -0.63 -0.16 0.00 -0.61 0.00 0.00 39.78 38.53 3dtw n ASN 1033CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3dtw s ILE 1034N -3.12 1.95 0.09 2.41 -1.09 -1.02 -1.37 121.20 119.06 3dtw s ILE 1034Ca 0.45 -0.91 0.01 0.00 -2.23 0.00 0.00 60.65 57.98 3dtw s ILE 1034Cb 0.39 -1.74 -0.04 0.00 -1.58 0.00 0.00 42.46 39.50 3dtw s ILE 1034CO 0.04 0.53 0.21 -0.76 -1.23 0.00 0.00 174.94 173.72 3dtw s LEU 1035N 0.93 4.25 -0.13 2.97 1.43 0.12 0.40 118.68 128.65 3dtw s LEU 1035Ca -0.05 0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.26 3dtw s LEU 1035Cb -0.15 -2.85 0.00 0.00 0.03 0.00 0.00 46.19 43.22 3dtw s LEU 1035CO -0.04 0.13 -0.20 -0.22 0.23 0.00 0.00 176.35 176.26 3dtw s LEU 1036N -2.71 2.27 0.00 1.79 2.96 -0.74 -0.40 118.68 121.85 3dtw s LEU 1036Ca 0.34 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.72 3dtw s LEU 1036Cb -0.12 -1.48 0.00 0.00 0.50 0.00 0.00 46.19 45.08 3dtw s LEU 1036CO 0.27 0.11 0.00 -1.20 -1.32 0.00 0.00 176.35 174.21 3dtw n SER 1037N 3.85 0.84 -4.75 3.68 7.64 -0.31 -2.51 113.62 122.07 3dtw n SER 1037Ca -0.19 -0.33 -0.34 0.00 1.01 0.00 0.00 58.87 59.02 3dtw n SER 1037Cb 0.52 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.79 3dtw n SER 1037CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3dtw s GLU 1038N 0.79 2.48 -1.55 1.43 0.41 -1.26 -3.82 118.70 117.18 3dtw s GLU 1038Ca 0.00 1.55 -0.09 0.00 -0.41 0.00 0.00 54.97 56.02 3dtw s GLU 1038Cb 0.00 -1.90 0.08 0.00 -1.78 0.00 0.00 34.13 30.53 3dtw s GLU 1038CO 0.00 -1.53 0.63 1.63 -0.49 0.00 0.00 175.26 175.49 3dtw n LYS 1039N -2.58 -3.42 -3.94 1.61 5.02 -1.26 -2.92 118.16 110.67 3dtw n LYS 1039Ca 0.12 0.40 -0.26 0.00 -2.02 0.00 0.00 58.31 56.55 3dtw n LYS 1039Cb 0.51 -4.85 -0.01 0.00 -0.02 0.00 0.00 35.03 30.66 3dtw n LYS 1039CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3dtw n ASN 1040N -2.83 -1.13 -4.34 4.39 4.13 -1.25 -4.98 115.26 109.26 3dtw n ASN 1040Ca -0.11 -0.96 -0.36 0.00 1.68 0.00 0.00 54.58 54.83 3dtw n ASN 1040Cb 0.59 -3.25 -0.13 0.00 -1.54 0.00 0.00 39.78 35.45 3dtw n ASN 1040CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3dtw s VAL 1041N -3.79 3.69 0.16 2.41 1.01 -1.15 -4.89 120.40 117.85 3dtw s VAL 1041Ca 0.14 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.58 3dtw s VAL 1041Cb -0.07 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 3dtw s VAL 1041CO 0.88 0.27 0.32 0.68 0.00 0.00 0.00 175.10 177.25 3dtw s VAL 1042N 1.50 5.28 -0.00 2.92 -7.23 -1.26 -1.16 120.40 120.45 3dtw s VAL 1042Ca 0.04 -0.53 0.01 0.00 -1.81 0.00 0.00 61.98 59.69 3dtw s VAL 1042Cb -0.16 -3.73 -0.00 0.00 0.56 0.00 0.00 36.38 33.06 3dtw s VAL 1042CO -0.00 -0.10 -0.03 -0.54 -0.31 0.00 0.00 175.10 174.12 3dtw s LYS 1043N -3.19 0.22 -0.13 4.82 1.02 0.47 -4.53 119.74 118.42 3dtw s LYS 1043Ca 0.36 -0.09 -0.27 0.00 0.02 0.00 0.00 55.97 56.00 3dtw s LYS 1043Cb -0.11 -0.23 -0.02 0.00 -0.52 0.00 0.00 37.83 36.96 3dtw s LYS 1043CO 0.29 0.05 0.89 0.42 -0.92 0.00 0.00 175.35 176.08 3dtw s ILE 1044N -0.00 4.86 0.04 2.17 1.01 0.13 0.15 121.20 129.57 3dtw s ILE 1044Ca 0.00 1.79 0.00 0.00 0.00 0.00 0.00 60.65 62.45 3dtw s ILE 1044Cb -0.02 -4.20 -0.00 0.00 0.01 0.00 0.00 42.46 38.25 3dtw s ILE 1044CO -0.00 0.05 0.01 0.00 0.00 0.00 0.00 174.94 175.00 3dtw s ASP 1046N -1.25 -0.03 0.00 0.00 -1.08 -1.26 -4.77 116.67 108.28 3dtw s ASP 1046Ca 0.02 -0.06 0.00 0.00 -0.52 0.00 0.00 52.55 51.98 3dtw s ASP 1046Cb 0.00 1.30 0.00 0.00 -1.46 0.00 0.00 42.92 42.76 3dtw s ASP 1046CO 0.01 -0.33 0.00 0.49 0.52 0.00 0.00 175.17 175.87 3dtw n PHE 1047N 5.37 0.00 -2.40 -5.34 3.01 -1.26 -5.17 117.46 111.67 3dtw n PHE 1047Ca -0.00 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.03 3dtw n PHE 1047Cb 0.50 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.95 3dtw n PHE 1047CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 3dtw s LEU 1067N -0.94 3.83 0.66 4.37 2.96 -1.26 -5.07 118.68 123.22 3dtw s LEU 1067Ca 0.00 1.15 0.15 0.00 -0.22 0.00 0.00 54.13 55.20 3dtw s LEU 1067Cb 0.00 -3.54 0.79 0.00 0.50 0.00 0.00 46.19 43.94 3dtw s LEU 1067CO 0.00 -1.15 1.44 1.55 -1.32 0.00 0.00 176.35 176.87 3dtw h PRO 1068N 9.58 0.00 -0.92 0.98 0.13 -2.03 -1.97 132.00 137.77 3dtw h PRO 1068Ca -0.27 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.94 3dtw h PRO 1068Cb 1.10 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.17 3dtw h PRO 1068CO 1.04 0.00 0.60 -0.07 -0.23 0.00 0.00 178.00 179.34 3dtw h LEU 1069N 0.00 0.91 0.00 1.56 3.38 -2.01 -1.55 115.31 117.61 3dtw h LEU 1069Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3dtw h LEU 1069Cb 1.39 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3dtw h LEU 1069CO -0.00 0.57 0.00 0.29 0.09 0.00 0.00 178.44 179.39 3dtw n LYS 1070N -4.50 0.01 0.00 1.13 5.02 -0.74 -1.70 118.16 117.37 3dtw n LYS 1070Ca 0.14 0.38 0.02 0.00 -2.02 0.00 0.00 58.31 56.84 3dtw n LYS 1070Cb 0.22 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 3dtw n LYS 1070CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3dtw n TRP 1071N -1.40 0.00 -2.89 2.13 8.01 -0.59 -4.99 117.44 117.72 3dtw n TRP 1071Ca 0.00 0.00 -0.36 0.00 -1.31 0.00 0.00 57.50 55.84 3dtw n TRP 1071Cb 0.01 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.25 3dtw n TRP 1071CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3dtw s MET 1072N -1.45 4.39 0.48 -0.99 -1.94 -0.69 -4.08 119.30 115.02 3dtw s MET 1072Ca 0.02 1.13 -0.10 0.00 -1.71 0.00 0.00 55.69 55.03 3dtw s MET 1072Cb 0.04 -2.66 -0.06 0.00 2.01 0.00 0.00 34.83 34.16 3dtw s MET 1072CO 0.20 0.23 0.85 0.00 -0.01 0.00 0.00 175.02 176.29 3dtw s ALA 1073N -1.74 3.28 0.22 3.03 0.00 -1.26 -4.88 121.76 120.40 3dtw s ALA 1073Ca 0.51 -0.20 -0.14 0.00 0.00 0.00 0.00 51.96 52.13 3dtw s ALA 1073Cb -0.16 -2.80 0.25 0.00 0.00 0.00 0.00 23.12 20.41 3dtw s ALA 1073CO 0.20 -0.24 1.61 -1.35 0.00 0.00 0.00 175.76 175.98 3dtw h PRO 1074N 0.69 -0.03 -0.51 0.00 0.11 -1.94 -0.31 132.00 130.00 3dtw h PRO 1074Ca -0.47 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 3dtw h PRO 1074Cb 1.19 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3dtw h PRO 1074CO 0.63 -0.02 0.07 1.05 -0.21 0.00 0.00 178.00 179.51 3dtw h GLU 1075N -0.03 0.81 -0.12 1.05 9.09 -1.92 -0.19 114.58 123.28 3dtw h GLU 1075Ca 0.32 -0.19 -0.07 0.00 0.05 0.00 0.00 59.36 59.47 3dtw h GLU 1075Cb 0.52 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 27.50 3dtw h GLU 1075CO -0.71 0.78 -0.23 1.15 0.05 0.00 0.00 179.01 180.04 3dtw h THR 1076N 0.77 1.22 0.19 -1.06 2.02 -1.16 0.19 112.91 115.09 3dtw h THR 1076Ca 0.16 -1.02 -0.34 0.00 0.77 0.00 0.00 66.41 65.99 3dtw h THR 1076Cb 0.37 1.39 0.01 0.00 -1.74 0.00 0.00 68.15 68.19 3dtw h THR 1076CO 0.01 0.31 -1.62 0.40 0.37 0.00 0.00 175.52 174.99 3dtw h ILE 1077N 0.18 1.09 0.00 3.11 2.04 -0.82 -3.04 117.51 120.08 3dtw h ILE 1077Ca 0.03 -2.64 -0.31 0.00 1.00 0.00 0.00 64.86 62.94 3dtw h ILE 1077Cb 0.52 2.85 -0.06 0.00 -0.74 0.00 0.00 36.82 39.39 3dtw h ILE 1077CO 0.04 0.84 -1.96 0.49 0.00 0.00 0.00 178.15 177.55 3dtw n PHE 1078N -3.60 0.58 0.30 1.37 3.72 -0.12 -4.40 117.46 115.32 3dtw n PHE 1078Ca -0.20 0.21 0.03 0.00 -0.05 0.00 0.00 57.45 57.44 3dtw n PHE 1078Cb 1.08 -1.09 -0.04 0.00 -0.94 0.00 0.00 39.48 38.48 3dtw n PHE 1078CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3dtw n ASP 1079N -2.90 0.64 -1.16 4.37 8.00 0.59 -5.01 116.55 121.09 3dtw n ASP 1079Ca -0.22 -0.60 -0.09 0.00 0.71 0.00 0.00 54.79 54.59 3dtw n ASP 1079Cb 1.07 1.03 0.01 0.00 -0.02 0.00 0.00 41.12 43.21 3dtw n ASP 1079CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3dtw n ARG 1080N -1.23 -1.37 -3.61 -1.24 1.74 -0.65 -4.98 116.66 105.33 3dtw n ARG 1080Ca 0.01 0.38 -0.38 0.00 -0.77 0.00 0.00 57.85 57.09 3dtw n ARG 1080Cb 0.12 -4.20 -0.11 0.00 -1.02 0.00 0.00 32.46 27.25 3dtw n ARG 1080CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3dtw s VAL 1081N -2.62 5.32 -0.26 1.55 1.01 -1.14 -4.94 120.40 119.31 3dtw s VAL 1081Ca 0.07 0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.17 3dtw s VAL 1081Cb -0.03 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.83 3dtw s VAL 1081CO 0.08 0.27 0.02 -0.31 0.00 0.00 0.00 175.10 175.17 3dtw s TYR 1082N 1.59 3.08 0.17 5.22 1.51 -1.26 -3.55 117.35 124.11 3dtw s TYR 1082Ca 0.07 -1.01 -0.00 0.00 -1.01 0.00 0.00 57.07 55.12 3dtw s TYR 1082Cb -0.15 -2.18 -0.04 0.00 -0.11 0.00 0.00 41.96 39.47 3dtw s TYR 1082CO 0.09 -0.57 0.08 0.95 -1.11 0.00 0.00 175.55 174.99 3dtw s THR 1083N 1.48 0.17 0.43 -0.71 -4.23 -1.26 -5.02 115.64 106.50 3dtw s THR 1083Ca 0.03 -1.96 0.17 0.00 -1.18 0.00 0.00 61.69 58.75 3dtw s THR 1083Cb -0.16 -2.25 0.36 0.00 1.34 0.00 0.00 72.50 71.79 3dtw s THR 1083CO -0.00 -0.27 1.91 0.40 -0.54 0.00 0.00 174.62 176.12 3dtw h ILE 1084N 2.72 0.77 -0.56 2.99 2.04 -1.98 -0.09 117.51 123.40 3dtw h ILE 1084Ca -0.36 -0.13 -0.10 0.00 1.00 0.00 0.00 64.86 65.26 3dtw h ILE 1084Cb 1.22 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 3dtw h ILE 1084CO 0.58 0.07 -0.06 1.56 0.00 0.00 0.00 178.15 180.30 3dtw h GLN 1085N 0.39 1.01 0.00 2.37 7.50 -1.95 -2.40 115.11 122.03 3dtw h GLN 1085Ca 0.38 -0.34 -0.02 0.00 0.50 0.00 0.00 58.65 59.17 3dtw h GLN 1085Cb 0.93 -0.08 -0.00 0.00 0.05 0.00 0.00 27.48 28.37 3dtw h GLN 1085CO -0.12 1.02 -0.11 0.66 -1.50 0.00 0.00 178.83 178.78 3dtw h SER 1086N 0.91 0.00 0.94 1.46 4.64 -1.37 0.30 113.55 120.42 3dtw h SER 1086Ca 0.15 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.36 3dtw h SER 1086Cb 0.61 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 3dtw h SER 1086CO 0.04 0.11 -0.52 0.44 -0.87 0.00 0.00 176.83 176.03 3dtw h ASP 1087N 0.00 0.00 0.20 4.97 3.32 -1.19 -2.45 116.42 121.27 3dtw h ASP 1087Ca -0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 3dtw h ASP 1087Cb 0.34 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3dtw h ASP 1087CO 0.01 0.52 -0.60 0.58 -1.72 0.00 0.00 179.24 178.03 3dtw h VAL 1088N 0.00 1.35 0.31 -1.35 2.07 -0.70 0.22 116.25 118.17 3dtw h VAL 1088Ca -0.01 -1.92 0.00 0.00 0.82 0.00 0.00 66.70 65.59 3dtw h VAL 1088Cb 1.13 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.79 3dtw h VAL 1088CO 0.07 0.58 -0.36 -0.25 0.02 0.00 0.00 177.57 177.63 3dtw h TRP 1089N 0.30 -0.98 -0.91 1.57 2.91 -1.05 -1.33 115.95 116.46 3dtw h TRP 1089Ca -0.00 0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.10 3dtw h TRP 1089Cb 1.13 0.39 -0.07 0.00 -0.51 0.00 0.00 29.16 30.10 3dtw h TRP 1089CO 0.04 -0.50 0.57 0.77 -1.03 0.00 0.00 178.44 178.29 3dtw h SER 1090N -0.71 0.88 -0.81 2.65 0.02 -1.16 0.93 113.55 115.34 3dtw h SER 1090Ca -0.02 0.03 0.13 0.00 -0.84 0.00 0.00 61.79 61.09 3dtw h SER 1090Cb 0.66 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.99 3dtw h SER 1090CO -0.09 0.54 0.53 0.15 -1.14 0.00 0.00 176.83 176.82 3dtw h PHE 1091N 1.00 0.69 -0.65 3.45 3.57 -0.09 0.40 116.94 125.30 3dtw h PHE 1091Ca 0.41 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.88 3dtw h PHE 1091Cb 0.25 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 3dtw h PHE 1091CO -0.02 0.28 0.20 0.78 -2.23 0.00 0.00 178.31 177.32 3dtw h GLY 1092N 0.61 1.08 1.45 2.40 0.00 0.32 0.13 103.07 109.06 3dtw h GLY 1092Ca 0.39 -0.64 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 3dtw h GLY 1092CO -0.15 0.60 -0.15 -2.08 0.00 0.00 0.00 176.54 174.75 3dtw h VAL 1093N 0.94 1.25 -0.48 4.60 2.07 -0.11 -2.29 116.25 122.24 3dtw h VAL 1093Ca 0.21 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 3dtw h VAL 1093Cb 0.29 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3dtw h VAL 1093CO -0.01 0.39 0.25 0.25 0.02 0.00 0.00 177.57 178.48 3dtw h LEU 1094N 0.59 0.61 -0.45 2.57 5.85 0.13 -1.92 115.31 122.69 3dtw h LEU 1094Ca 0.10 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.78 3dtw h LEU 1094Cb 0.60 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 3dtw h LEU 1094CO 0.04 0.54 0.10 -0.07 -0.34 0.00 0.00 178.44 178.71 3dtw h LEU 1095N 0.63 0.03 -0.91 2.25 3.38 -0.32 -1.20 115.31 119.18 3dtw h LEU 1095Ca 0.17 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.22 3dtw h LEU 1095Cb 0.07 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 3dtw h LEU 1095CO -0.03 0.05 0.60 -0.25 0.09 0.00 0.00 178.44 178.91 3dtw h TRP 1096N 0.24 1.14 -0.36 1.13 7.01 -1.17 -1.65 115.95 122.29 3dtw h TRP 1096Ca 0.22 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.25 3dtw h TRP 1096Cb 0.27 -0.38 -0.02 0.00 -2.10 0.00 0.00 29.16 26.93 3dtw h TRP 1096CO -0.20 0.71 0.23 0.93 -2.79 0.00 0.00 178.44 177.31 3dtw h GLU 1097N 1.22 0.48 0.52 2.65 5.08 -0.47 -2.60 114.58 121.46 3dtw h GLU 1097Ca 0.34 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.63 3dtw h GLU 1097Cb -0.13 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.02 3dtw h GLU 1097CO -0.08 0.34 -0.25 0.82 -1.00 0.00 0.00 179.01 178.85 3dtw h ILE 1098N 0.47 0.49 0.00 3.13 2.04 -0.88 -1.08 117.51 121.68 3dtw h ILE 1098Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.99 3dtw h ILE 1098Cb -0.02 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 3dtw h ILE 1098CO -0.03 0.00 0.00 0.49 0.00 0.00 0.00 178.15 178.61 3dtw n PHE 1099N -5.39 0.00 -1.46 1.37 3.72 -0.65 -1.18 117.46 113.86 3dtw n PHE 1099Ca -0.12 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.31 3dtw n PHE 1099Cb 0.29 -0.09 0.04 0.00 -0.94 0.00 0.00 39.48 38.78 3dtw n PHE 1099CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3dtw n SER 1100N 0.01 0.79 -4.03 4.37 3.41 -0.98 -1.09 113.62 116.10 3dtw n SER 1100Ca 0.00 -2.16 -0.42 0.00 -0.26 0.00 0.00 58.87 56.03 3dtw n SER 1100Cb 0.22 -0.22 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 3dtw n SER 1100CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3dtw n LEU 1101N -0.43 -0.24 0.00 1.04 4.77 -0.33 -1.91 117.00 119.90 3dtw n LEU 1101Ca 0.04 -1.17 0.00 0.00 -0.03 0.00 0.00 56.01 54.85 3dtw n LEU 1101Cb 0.62 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.27 3dtw n LEU 1101CO 0.00 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 3dtw n GLY 1102N -1.97 0.61 3.74 -0.72 0.00 -0.43 -3.17 105.19 103.25 3dtw n GLY 1102Ca -0.12 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 3dtw n GLY 1102CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dtw s ALA 1103N -2.00 2.00 -0.11 4.61 0.00 -0.80 -4.80 121.76 120.65 3dtw s ALA 1103Ca 0.00 0.40 -0.18 0.00 0.00 0.00 0.00 51.96 52.18 3dtw s ALA 1103Cb 0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 3dtw s ALA 1103CO 0.00 -2.09 0.47 0.45 0.00 0.00 0.00 175.76 174.60 3dtw s SER 1104N -3.09 6.69 0.53 0.00 0.15 -1.26 -4.77 113.70 111.94 3dtw s SER 1104Ca 0.64 0.82 -0.22 0.00 0.70 0.00 0.00 55.95 57.88 3dtw s SER 1104Cb -0.19 -2.28 -0.05 0.00 -1.71 0.00 0.00 66.02 61.78 3dtw s SER 1104CO 0.56 0.01 1.32 -2.16 1.20 0.00 0.00 173.24 174.17 3dtw s PRO 1105N 0.56 3.27 -1.24 5.44 0.04 -1.26 -3.64 135.00 138.16 3dtw s PRO 1105Ca 0.26 2.15 -0.03 0.00 0.04 0.00 0.00 61.00 63.42 3dtw s PRO 1105Cb -0.15 -2.29 -0.01 0.00 0.04 0.00 0.00 34.50 32.09 3dtw s PRO 1105CO 0.10 -1.06 0.78 0.66 0.04 0.00 0.00 177.00 177.52 3dtw n TYR 1106N -0.91 -2.01 -1.63 0.56 4.01 -1.26 -4.88 117.16 111.04 3dtw n TYR 1106Ca 0.10 0.81 -0.46 0.00 -0.16 0.00 0.00 57.90 58.19 3dtw n TYR 1106Cb 0.45 -4.35 -0.03 0.00 -0.31 0.00 0.00 39.34 35.10 3dtw n TYR 1106CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3dtw n PRO 1107N -4.12 1.70 0.00 -0.72 -0.04 -1.24 -2.30 135.00 128.29 3dtw n PRO 1107Ca -0.25 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 3dtw n PRO 1107Cb 0.66 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 3dtw n PRO 1107CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dtw n GLY 1108N 2.11 2.37 3.81 0.55 0.00 -1.26 -5.00 105.19 107.77 3dtw n GLY 1108Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3dtw n GLY 1108CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dtw s VAL 1109N -2.50 4.51 0.23 1.61 1.01 -0.97 -5.05 120.40 119.23 3dtw s VAL 1109Ca 0.00 1.39 -0.11 0.00 0.00 0.00 0.00 61.98 63.26 3dtw s VAL 1109Cb 0.00 -3.90 -0.07 0.00 0.00 0.00 0.00 36.38 32.40 3dtw s VAL 1109CO 0.00 0.23 0.58 -0.75 0.00 0.00 0.00 175.10 175.16 3dtw s LYS 1110N -1.90 3.87 -1.14 2.72 2.20 -1.26 -4.99 119.74 119.24 3dtw s LYS 1110Ca 0.43 0.37 -0.07 0.00 -0.36 0.00 0.00 55.97 56.34 3dtw s LYS 1110Cb -0.18 -2.67 0.27 0.00 -1.51 0.00 0.00 37.83 33.74 3dtw s LYS 1110CO 0.22 0.33 1.44 -0.89 -0.36 0.00 0.00 175.35 176.08 3dtw n ILE 1111N 0.01 4.87 -3.50 5.43 2.08 -1.26 -4.57 119.36 122.43 3dtw n ILE 1111Ca -0.00 -5.43 0.00 0.00 0.56 0.00 0.00 62.75 57.88 3dtw n ILE 1111Cb 0.52 -2.30 0.00 0.00 -0.75 0.00 0.00 39.64 37.11 3dtw n ILE 1111CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 3dtw n ASP 1112N 2.52 1.78 -0.32 4.38 3.85 -1.26 -5.00 116.55 122.49 3dtw n ASP 1112Ca 0.29 -0.61 0.04 0.00 -0.71 0.00 0.00 54.79 53.80 3dtw n ASP 1112Cb 0.36 0.00 0.23 0.00 -1.35 0.00 0.00 41.12 40.36 3dtw n ASP 1112CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 3dtw h GLU 1113N 0.00 1.03 -0.77 0.11 5.08 -2.00 -2.35 114.58 115.68 3dtw h GLU 1113Ca 0.00 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3dtw h GLU 1113Cb 0.00 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 28.98 3dtw h GLU 1113CO 0.00 0.68 0.38 0.93 -1.00 0.00 0.00 179.01 179.99 3dtw h GLU 1114N 1.06 1.09 0.27 2.33 4.39 -1.96 -1.50 114.58 120.26 3dtw h GLU 1114Ca 0.41 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.96 3dtw h GLU 1114Cb 0.22 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 3dtw h GLU 1114CO -0.16 0.83 -0.34 0.35 -1.16 0.00 0.00 179.01 178.54 3dtw h PHE 1115N 1.09 -0.92 -0.90 4.33 3.57 -1.67 -1.16 116.94 121.28 3dtw h PHE 1115Ca 0.27 0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.94 3dtw h PHE 1115Cb 0.10 0.37 -0.07 0.00 2.79 0.00 0.00 35.95 39.13 3dtw h PHE 1115CO 0.01 -0.47 0.58 0.00 -2.23 0.00 0.00 178.31 176.20 3dtw h ARG 1117N 0.63 0.46 -0.26 0.00 2.43 -0.70 -2.37 114.38 114.57 3dtw h ARG 1117Ca 0.46 -0.29 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 3dtw h ARG 1117Cb 0.83 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 3dtw h ARG 1117CO -0.21 0.89 -0.16 0.00 -1.51 0.00 0.00 179.97 178.98 3dtw h ARG 1118N 0.08 0.45 -0.45 0.20 3.08 -0.67 0.36 114.38 117.43 3dtw h ARG 1118Ca 0.01 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 3dtw h ARG 1118Cb 0.87 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 3dtw h ARG 1118CO 0.06 0.60 0.12 1.25 -1.07 0.00 0.00 179.97 180.93 3dtw h LEU 1119N 0.41 0.68 -1.14 3.04 5.85 -1.22 -0.30 115.31 122.63 3dtw h LEU 1119Ca 0.07 -0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.48 3dtw h LEU 1119Cb 0.52 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3dtw h LEU 1119CO 0.03 0.73 -0.43 0.50 -0.34 0.00 0.00 178.44 178.93 3dtw h LYS 1120N 0.60 0.00 -0.01 1.25 3.64 -0.87 -3.08 116.57 118.11 3dtw h LYS 1120Ca 0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3dtw h LYS 1120Cb 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3dtw h LYS 1120CO 0.00 0.43 -0.14 0.39 -2.27 0.00 0.00 179.45 177.86 3dtw n GLU 1121N -4.01 0.77 0.00 1.90 1.02 0.07 -4.92 120.64 115.46 3dtw n GLU 1121Ca -0.02 -0.32 0.00 0.00 -0.02 0.00 0.00 57.16 56.80 3dtw n GLU 1121Cb 0.46 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 3dtw n GLU 1121CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dtw n GLY 1122N 1.29 0.98 3.75 0.62 0.00 -1.01 -5.07 105.19 105.74 3dtw n GLY 1122Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3dtw n GLY 1122CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dtw s THR 1123N -2.00 3.40 0.13 2.61 2.01 -0.16 -5.03 115.64 116.60 3dtw s THR 1123Ca 0.00 1.24 0.03 0.00 0.31 0.00 0.00 61.69 63.27 3dtw s THR 1123Cb 0.00 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 3dtw s THR 1123CO 0.00 0.23 -0.05 -0.13 -0.69 0.00 0.00 174.62 173.97 3dtw s ARG 1124N -0.66 0.98 0.68 4.92 1.81 -1.26 -4.57 118.95 120.86 3dtw s ARG 1124Ca 0.51 -1.43 -0.16 0.00 -1.72 0.00 0.00 55.73 52.94 3dtw s ARG 1124Cb -0.34 -0.34 0.01 0.00 -0.45 0.00 0.00 34.95 33.83 3dtw s ARG 1124CO 0.40 -0.03 1.17 -1.64 -0.68 0.00 0.00 175.30 174.52 3dtw s MET 1125N -3.83 2.51 0.69 3.54 -1.94 -1.26 -5.03 119.30 113.98 3dtw s MET 1125Ca 0.17 1.65 -0.08 0.00 -1.71 0.00 0.00 55.69 55.71 3dtw s MET 1125Cb 0.05 -1.89 0.04 0.00 2.01 0.00 0.00 34.83 35.04 3dtw s MET 1125CO -0.01 -1.53 1.03 1.03 -0.01 0.00 0.00 175.02 175.54 3dtw s ARG 1126N -3.86 2.48 0.26 2.03 0.52 -1.26 -5.00 118.95 114.12 3dtw s ARG 1126Ca 0.72 0.03 -0.30 0.00 -0.52 0.00 0.00 55.73 55.66 3dtw s ARG 1126Cb -0.26 -2.12 -0.10 0.00 0.52 0.00 0.00 34.95 32.98 3dtw s ARG 1126CO 0.42 -1.12 1.46 0.00 0.02 0.00 0.00 175.30 176.08 3dtw s ALA 1127N -3.27 3.64 0.85 2.13 0.00 -1.26 -5.00 121.76 118.86 3dtw s ALA 1127Ca 0.58 1.37 -0.12 0.00 0.00 0.00 0.00 51.96 53.80 3dtw s ALA 1127Cb -0.11 -3.57 0.10 0.00 0.00 0.00 0.00 23.12 19.54 3dtw s ALA 1127CO 0.47 -0.78 1.10 -1.25 0.00 0.00 0.00 175.76 175.30 3dtw s PRO 1128N -0.47 1.67 0.50 0.00 0.04 -1.26 -4.97 135.00 130.51 3dtw s PRO 1128Ca 0.59 0.65 0.23 0.00 0.04 0.00 0.00 61.00 62.51 3dtw s PRO 1128Cb -0.43 -1.87 1.33 0.00 0.04 0.00 0.00 34.50 33.57 3dtw s PRO 1128CO 0.45 -1.91 2.06 -0.44 0.04 0.00 0.00 177.00 177.20 3dtw h ASP 1129N -1.30 0.00 -0.30 6.66 5.19 -1.93 -3.02 116.42 121.72 3dtw h ASP 1129Ca -0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 3dtw h ASP 1129Cb 1.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.79 3dtw h ASP 1129CO 0.58 0.13 0.00 -1.22 -3.12 0.00 0.00 179.24 175.61 3dtw n TYR 1130N -3.91 0.74 -1.78 4.55 4.02 -0.25 -5.02 117.16 115.52 3dtw n TYR 1130Ca -0.02 -0.71 -0.31 0.00 -0.01 0.00 0.00 57.90 56.85 3dtw n TYR 1130Cb 0.22 -0.19 0.04 0.00 -0.02 0.00 0.00 39.34 39.39 3dtw n TYR 1130CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 3dtw s THR 1131N -2.02 3.97 0.37 -0.72 -1.32 -1.14 -4.91 115.64 109.86 3dtw s THR 1131Ca 0.34 0.64 0.08 0.00 -1.21 0.00 0.00 61.69 61.54 3dtw s THR 1131Cb 0.24 -3.55 -0.03 0.00 -1.51 0.00 0.00 72.50 67.65 3dtw s THR 1131CO 0.12 -0.84 0.25 0.42 -2.21 0.00 0.00 174.62 172.36 3dtw s THR 1132N -3.21 2.98 0.10 5.08 -4.23 -1.26 -4.99 115.64 110.11 3dtw s THR 1132Ca 0.57 -1.51 -0.20 0.00 -1.18 0.00 0.00 61.69 59.37 3dtw s THR 1132Cb -0.12 -3.04 -0.08 0.00 1.34 0.00 0.00 72.50 70.59 3dtw s THR 1132CO 0.53 -0.11 1.65 -0.65 -0.54 0.00 0.00 174.62 175.50 3dtw h PRO 1133N 1.31 0.31 -0.65 3.99 0.11 -2.00 -1.95 132.00 133.12 3dtw h PRO 1133Ca -0.43 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3dtw h PRO 1133Cb 1.26 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3dtw h PRO 1133CO 0.61 0.36 0.39 0.93 -0.21 0.00 0.00 178.00 180.07 3dtw h GLU 1134N 0.19 0.88 -0.09 1.05 3.07 -1.99 -2.26 114.58 115.44 3dtw h GLU 1134Ca 0.07 -0.08 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3dtw h GLU 1134Cb 0.16 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 27.88 3dtw h GLU 1134CO -0.01 0.64 0.06 1.98 -1.40 0.00 0.00 179.01 180.27 3dtw h MET 1135N 0.88 0.13 -0.59 2.33 4.05 -1.95 -1.58 114.93 118.20 3dtw h MET 1135Ca 0.23 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.65 3dtw h MET 1135Cb -0.02 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.73 3dtw h MET 1135CO -0.04 0.14 0.39 -0.92 0.23 0.00 0.00 176.91 176.71 3dtw h TYR 1136N 0.08 0.72 -0.66 1.39 3.20 -1.18 -0.63 116.97 119.90 3dtw h TYR 1136Ca 0.03 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.85 3dtw h TYR 1136Cb 0.04 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 3dtw h TYR 1136CO -0.05 0.45 0.13 0.37 -1.64 0.00 0.00 178.16 177.41 3dtw h GLN 1137N 0.77 1.07 -0.23 1.82 5.75 -1.01 -1.16 115.11 122.12 3dtw h GLN 1137Ca 0.22 -0.27 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 3dtw h GLN 1137Cb -0.04 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.36 3dtw h GLN 1137CO -0.05 0.97 0.04 1.15 -2.65 0.00 0.00 178.83 178.29 3dtw h THR 1138N 1.01 1.12 -0.69 2.39 2.02 -0.15 -0.28 112.91 118.33 3dtw h THR 1138Ca 0.20 -0.45 -0.05 0.00 0.77 0.00 0.00 66.41 66.88 3dtw h THR 1138Cb 0.41 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 3dtw h THR 1138CO 0.01 0.16 0.23 0.24 0.37 0.00 0.00 175.52 176.52 3dtw h MET 1139N 0.33 1.06 -0.59 6.66 2.86 -0.30 -2.25 114.93 122.71 3dtw h MET 1139Ca 0.08 -0.22 -0.09 0.00 -2.06 0.00 0.00 59.70 57.41 3dtw h MET 1139Cb 0.16 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 3dtw h MET 1139CO -0.00 0.91 0.03 -0.07 1.06 0.00 0.00 176.91 178.84 3dtw h LEU 1140N 1.00 0.99 -0.94 1.22 3.38 -0.24 -2.72 115.31 117.99 3dtw h LEU 1140Ca 0.22 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3dtw h LEU 1140Cb 0.28 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3dtw h LEU 1140CO -0.01 1.03 0.30 0.44 0.09 0.00 0.00 178.44 180.29 3dtw h ASP 1141N 0.91 0.97 0.63 -0.43 3.32 -0.93 -1.87 116.42 119.03 3dtw h ASP 1141Ca 0.17 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 3dtw h ASP 1141Cb 0.51 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3dtw h ASP 1141CO 0.02 0.86 -0.25 0.00 -1.72 0.00 0.00 179.24 178.16 3dtw n TRP 1143N -3.61 2.49 -2.28 0.00 8.01 -0.71 -3.76 117.44 117.58 3dtw n TRP 1143Ca -0.01 -1.62 -0.41 0.00 -1.31 0.00 0.00 57.50 54.15 3dtw n TRP 1143Cb 0.38 -0.83 -0.03 0.00 -2.01 0.00 0.00 31.31 28.82 3dtw n TRP 1143CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.69 175.10 3dtw s HIS 1144N -2.68 3.30 0.11 -5.99 2.46 -1.05 -4.94 115.29 106.51 3dtw s HIS 1144Ca 0.46 1.51 -0.19 0.00 0.47 0.00 0.00 55.06 57.32 3dtw s HIS 1144Cb 0.39 -3.50 -0.06 0.00 -0.13 0.00 0.00 32.58 29.27 3dtw s HIS 1144CO 0.09 -1.30 1.67 0.78 -2.47 0.00 0.00 174.74 173.51 3dtw h GLY 1145N 3.83 0.39 -7.10 1.59 0.00 -1.92 -3.39 103.07 96.46 3dtw h GLY 1145Ca -0.47 -0.20 -0.54 0.00 0.00 0.00 0.00 47.33 46.11 3dtw h GLY 1145CO 0.68 0.19 1.11 -0.54 0.00 0.00 0.00 176.54 177.97 3dtw s GLU 1146N -5.66 3.28 0.32 4.80 0.41 -1.26 -4.91 118.70 115.67 3dtw s GLU 1146Ca -0.13 0.44 0.09 0.00 -0.41 0.00 0.00 54.97 54.96 3dtw s GLU 1146Cb 0.08 -4.13 0.88 0.00 -1.78 0.00 0.00 34.13 29.18 3dtw s GLU 1146CO 0.72 -1.97 1.72 -1.35 -0.49 0.00 0.00 175.26 173.89 3dtw h PRO 1147N 11.15 0.51 0.00 0.39 0.11 -1.98 0.31 132.00 142.49 3dtw h PRO 1147Ca -0.27 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.76 3dtw h PRO 1147Cb 1.09 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 3dtw h PRO 1147CO 1.18 0.34 -0.23 0.66 -0.21 0.00 0.00 178.00 179.74 3dtw h SER 1148N 0.53 0.00 -0.10 -2.05 4.64 -1.95 -2.62 113.55 112.00 3dtw h SER 1148Ca 0.64 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.96 3dtw h SER 1148Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3dtw h SER 1148CO -0.50 0.23 0.00 0.00 -0.87 0.00 0.00 176.83 175.69 3dtw n GLN 1149N -3.63 1.39 -3.14 4.77 1.13 0.11 -4.85 117.38 113.16 3dtw n GLN 1149Ca -0.01 -0.58 -0.34 0.00 -1.94 0.00 0.00 57.00 54.13 3dtw n GLN 1149Cb 0.36 -1.31 -0.06 0.00 0.11 0.00 0.00 30.24 29.33 3dtw n GLN 1149CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3dtw s ARG 1150N -1.87 4.07 1.01 -1.09 0.52 -0.99 -4.92 118.95 115.68 3dtw s ARG 1150Ca 0.27 0.72 -0.17 0.00 -0.52 0.00 0.00 55.73 56.03 3dtw s ARG 1150Cb 0.14 -2.57 0.26 0.00 0.52 0.00 0.00 34.95 33.29 3dtw s ARG 1150CO 0.22 0.23 0.72 -0.35 0.02 0.00 0.00 175.30 176.14 3dtw n PRO 1151N -0.03 -3.43 -4.05 3.54 -0.04 -1.26 -5.04 135.00 124.69 3dtw n PRO 1151Ca 0.02 -1.19 -0.24 0.00 -0.04 0.00 0.00 63.50 62.05 3dtw n PRO 1151Cb 0.52 -1.32 -0.07 0.00 -0.04 0.00 0.00 33.50 32.60 3dtw n PRO 1151CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3dtw s THR 1152N -2.13 2.38 0.30 0.52 -4.23 -1.26 -4.99 115.64 106.23 3dtw s THR 1152Ca 0.51 -1.65 0.28 0.00 -1.18 0.00 0.00 61.69 59.65 3dtw s THR 1152Cb -0.07 -3.00 0.29 0.00 1.34 0.00 0.00 72.50 71.06 3dtw s THR 1152CO 0.41 -0.01 1.99 -0.26 -0.54 0.00 0.00 174.62 176.22 3dtw h PHE 1153N 1.38 0.00 -0.06 3.99 0.04 -1.93 0.31 116.94 120.66 3dtw h PHE 1153Ca -0.43 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.11 3dtw h PHE 1153Cb 1.25 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.42 3dtw h PHE 1153CO 0.61 0.14 -0.91 0.77 -0.60 0.00 0.00 178.31 178.32 3dtw h SER 1154N 0.00 0.82 -0.11 2.17 0.02 -1.94 -0.48 113.55 114.03 3dtw h SER 1154Ca -0.00 -0.61 -0.10 0.00 -0.84 0.00 0.00 61.79 60.25 3dtw h SER 1154Cb 0.48 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 3dtw h SER 1154CO 0.02 1.40 -0.23 -0.33 -1.14 0.00 0.00 176.83 176.55 3dtw h GLU 1155N 0.41 0.54 -0.33 3.45 5.08 -1.83 -1.54 114.58 120.37 3dtw h GLU 1155Ca -0.09 -0.20 -0.16 0.00 -1.00 0.00 0.00 59.36 57.92 3dtw h GLU 1155Cb 1.55 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 3dtw h GLU 1155CO 0.18 0.73 -0.42 -0.07 -1.00 0.00 0.00 179.01 178.43 3dtw h LEU 1156N 0.48 0.87 -0.19 1.33 3.38 -0.80 0.74 115.31 121.12 3dtw h LEU 1156Ca 0.07 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 3dtw h LEU 1156Cb 0.66 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3dtw h LEU 1156CO 0.05 1.17 0.03 0.58 0.09 0.00 0.00 178.44 180.36 3dtw h VAL 1157N 0.66 1.22 -0.58 1.22 2.07 -0.86 0.37 116.25 120.35 3dtw h VAL 1157Ca 0.05 -0.73 0.07 0.00 0.82 0.00 0.00 66.70 66.91 3dtw h VAL 1157Cb 0.98 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 32.05 3dtw h VAL 1157CO 0.09 0.22 0.26 -0.08 0.02 0.00 0.00 177.57 178.09 3dtw h GLU 1158N 0.10 0.46 -0.17 1.57 4.57 -1.17 -0.37 114.58 119.56 3dtw h GLU 1158Ca 0.06 -0.03 -0.12 0.00 -1.18 0.00 0.00 59.36 58.09 3dtw h GLU 1158Cb 0.31 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 3dtw h GLU 1158CO 0.00 0.31 -0.37 1.25 -1.18 0.00 0.00 179.01 179.02 3dtw h HIS 1159N 0.48 0.71 -0.18 0.92 2.76 -0.54 -3.08 115.15 116.21 3dtw h HIS 1159Ca 0.28 -0.26 -0.14 0.00 -2.20 0.00 0.00 60.37 58.05 3dtw h HIS 1159Cb 0.27 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 3dtw h HIS 1159CO -0.13 1.00 -0.49 -0.07 -1.30 0.00 0.00 177.93 176.94 3dtw h LEU 1160N 0.21 0.52 -0.45 0.26 3.38 -0.79 -1.69 115.31 116.74 3dtw h LEU 1160Ca 0.00 -0.26 0.07 0.00 0.09 0.00 0.00 57.88 57.79 3dtw h LEU 1160Cb 0.97 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 3dtw h LEU 1160CO 0.08 0.92 0.09 1.23 0.09 0.00 0.00 178.44 180.85 3dtw h GLY 1161N 1.14 0.53 0.92 0.83 0.00 -1.12 0.27 103.07 105.64 3dtw h GLY 1161Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3dtw h GLY 1161CO 0.09 -0.05 -0.08 3.43 0.00 0.00 0.00 176.54 179.93 3dtw h ASN 1162N 0.22 -0.18 -0.95 0.19 -0.26 -1.41 -0.71 115.58 112.48 3dtw h ASN 1162Ca 0.22 -0.06 0.15 0.00 -0.56 0.00 0.00 56.30 56.05 3dtw h ASN 1162Cb 0.28 0.05 -0.08 0.00 -1.06 0.00 0.00 38.32 37.50 3dtw h ASN 1162CO -0.29 -0.05 0.60 -0.07 -1.06 0.00 0.00 177.43 176.57 3dtw h LEU 1163N -0.29 0.75 -0.33 1.61 3.38 -0.65 -0.10 115.31 119.67 3dtw h LEU 1163Ca -0.02 0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 3dtw h LEU 1163Cb 0.23 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3dtw h LEU 1163CO 0.04 0.35 -0.13 0.25 0.09 0.00 0.00 178.44 179.04 3dtw h LEU 1164N 0.78 0.68 -1.50 1.67 5.85 -0.15 -2.03 115.31 120.61 3dtw h LEU 1164Ca 0.50 -0.39 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 3dtw h LEU 1164Cb 0.73 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3dtw h LEU 1164CO -0.26 0.92 -0.21 1.56 -0.34 0.00 0.00 178.44 180.10 3dtw h GLN 1165N 0.44 0.05 0.02 1.25 1.08 0.46 -1.04 115.11 117.36 3dtw h GLN 1165Ca 0.08 -0.01 -0.19 0.00 -1.45 0.00 0.00 58.65 57.08 3dtw h GLN 1165Cb 0.65 -0.01 0.02 0.00 -0.05 0.00 0.00 27.48 28.09 3dtw h GLN 1165CO 0.04 0.27 -0.73 0.00 -0.95 0.00 0.00 178.83 177.45 3dtw h ALA 1166N 1.74 0.07 -0.82 3.87 0.00 -1.05 -2.17 119.26 120.90 3dtw h ALA 1166Ca 0.01 -0.61 0.02 0.00 0.00 0.00 0.00 54.91 54.33 3dtw h ALA 1166Cb 0.41 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 3dtw h ALA 1166CO 0.03 0.43 0.53 -0.97 0.00 0.00 0.00 179.25 179.27 3dtw h ASN 1167N -0.01 0.90 -0.21 0.00 -1.24 -1.12 0.11 115.58 114.01 3dtw h ASN 1167Ca -0.10 -0.01 0.03 0.00 0.71 0.00 0.00 56.30 56.93 3dtw h ASN 1167Cb 1.44 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 40.26 3dtw h ASN 1167CO 0.14 0.63 0.05 0.00 -1.29 0.00 0.00 177.43 176.96 3dtw h ALA 1168N 1.33 0.22 -0.11 1.57 0.00 -1.17 0.21 119.26 121.30 3dtw h ALA 1168Ca 0.32 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 3dtw h ALA 1168Cb -0.04 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3dtw h ALA 1168CO -0.10 -0.38 0.06 0.37 0.00 0.00 0.00 179.25 179.21 3dtw h GLN 1169N 0.13 0.15 -0.29 0.00 4.15 -0.62 0.47 115.11 119.10 3dtw h GLN 1169Ca 0.09 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.53 3dtw h GLN 1169Cb 0.09 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.71 3dtw h GLN 1169CO -0.12 0.16 0.09 1.96 -1.93 0.00 0.00 178.83 178.99 3dtw h GLN 1170N 0.10 0.21 -0.65 1.69 4.20 -0.76 -0.61 115.11 119.28 3dtw h GLN 1170Ca 0.04 -0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.84 3dtw h GLN 1170Cb 0.05 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 3dtw h GLN 1170CO -0.01 0.14 0.44 -0.44 -0.67 0.00 0.00 178.83 178.29 3dtw h ASP 1171N 0.21 0.44 -0.39 1.46 3.32 -0.19 0.38 116.42 121.65 3dtw h ASP 1171Ca 0.13 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 3dtw h ASP 1171Cb 0.11 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3dtw h ASP 1171CO -0.15 0.26 -0.08 0.03 -1.72 0.00 0.00 179.24 177.58 3dtw h ARG 1172N 0.49 0.75 -0.23 3.56 3.08 0.55 -1.27 114.38 121.31 3dtw h ARG 1172Ca 0.30 -0.28 -0.13 0.00 0.07 0.00 0.00 59.98 59.94 3dtw h ARG 1172Cb 0.54 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 3dtw h ARG 1172CO -0.09 0.88 -0.42 0.45 -1.07 0.00 0.00 179.97 179.72 3dtw h HIS 1173N 0.56 0.66 -0.50 3.04 3.86 0.23 -0.48 115.15 122.51 3dtw h HIS 1173Ca 0.10 -0.19 -0.02 0.00 -1.16 0.00 0.00 60.37 59.10 3dtw h HIS 1173Cb 0.60 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.91 3dtw h HIS 1173CO 0.05 0.88 0.24 0.45 0.86 0.00 0.00 177.93 180.41 3dtw h HIS 1174N 0.45 0.71 -0.21 2.45 3.86 -0.21 -2.46 115.15 119.74 3dtw h HIS 1174Ca 0.04 -0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.09 3dtw h HIS 1174Cb 0.92 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 29.16 3dtw h HIS 1174CO 0.04 0.56 -0.37 1.25 0.86 0.00 0.00 177.93 180.27 3dtw h HIS 1175N 0.66 0.54 -0.14 2.45 6.17 -1.07 -3.11 115.15 120.65 3dtw h HIS 1175Ca 0.17 -0.14 -0.09 0.00 0.71 0.00 0.00 60.37 61.02 3dtw h HIS 1175Cb 0.11 -0.12 -0.00 0.00 2.52 0.00 0.00 27.41 29.92 3dtw h HIS 1175CO -0.01 0.77 -0.24 1.25 0.71 0.00 0.00 177.93 180.41 3dtw h HIS 1176N 0.39 0.52 -0.28 5.26 6.17 -0.84 -3.34 115.15 123.04 3dtw h HIS 1176Ca 0.04 -0.18 -0.07 0.00 0.71 0.00 0.00 60.37 60.87 3dtw h HIS 1176Cb 0.83 -0.10 -0.01 0.00 2.52 0.00 0.00 27.41 30.65 3dtw h HIS 1176CO 0.03 0.87 -0.09 0.45 0.71 0.00 0.00 177.93 179.90 3dtw h HIS 1177N 0.03 0.62 -0.03 5.26 3.86 -1.51 -3.51 115.15 119.87 3dtw h HIS 1177Ca 0.01 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 3dtw h HIS 1177Cb 0.82 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.14 3dtw h HIS 1177CO 0.10 0.77 0.00 0.72 0.86 0.00 0.00 177.93 180.37