#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kck s GLN 843 N 0.00 3.62 -0.29 1.09 -1.52 -1.26 -4.92 119.66 116.38 3kck s GLN 843 Ca 0.00 -0.07 -0.06 0.00 -1.95 0.00 0.00 55.36 53.28 3kck s GLN 843 Cb 0.00 -2.93 0.02 0.00 -0.22 0.00 0.00 33.01 29.88 3kck s GLN 843 CO 0.00 0.53 0.06 -0.06 -0.25 0.00 0.00 175.29 175.56 3kck s PHE 844 N -1.54 3.15 -0.10 0.91 0.40 -1.26 -5.09 117.98 114.45 3kck s PHE 844 Ca 0.37 -1.15 -0.16 0.00 -0.60 0.00 0.00 56.93 55.39 3kck s PHE 844 Cb -0.13 -2.22 -0.05 0.00 0.51 0.00 0.00 43.02 41.14 3kck s PHE 844 CO 0.22 -0.63 0.40 -1.21 0.70 0.00 0.00 175.22 174.70 3kck s GLU 845 N 1.45 4.18 0.39 0.44 2.02 -1.26 -4.35 118.70 121.57 3kck s GLU 845 Ca 0.01 0.32 0.05 0.00 0.02 0.00 0.00 54.97 55.38 3kck s GLU 845 Cb -0.17 -3.37 0.77 0.00 0.10 0.00 0.00 34.13 31.46 3kck s GLU 845 CO 0.01 0.35 2.04 1.49 0.02 0.00 0.00 175.26 179.17 3kck h GLU 846 N 6.09 0.66 0.00 1.61 4.22 -1.96 -2.35 114.58 122.85 3kck h GLU 846 Ca -0.44 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.96 3kck h GLU 846 Cb 1.19 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3kck h GLU 846 CO 0.71 0.44 0.00 0.07 -2.18 0.00 0.00 179.01 178.05 3kck h ARG 847 N 0.68 0.00 -0.01 1.92 0.11 -1.99 -2.40 114.38 112.69 3kck h ARG 847 Ca 0.19 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.27 3kck h ARG 847 Cb -0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.01 3kck h ARG 847 CO -0.04 0.00 -0.57 0.72 0.10 0.00 0.00 179.97 180.18 3kck n HIS 848 N -2.34 0.00 -2.92 4.08 8.25 -0.88 -4.85 115.22 116.56 3kck n HIS 848 Ca 0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 3kck n HIS 848 Cb 0.16 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.23 3kck n HIS 848 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3kck s LEU 849 N -2.54 4.36 -0.20 2.41 1.43 -0.91 -1.16 118.68 122.07 3kck s LEU 849 Ca 0.15 -0.60 -0.19 0.00 -1.03 0.00 0.00 54.13 52.46 3kck s LEU 849 Cb 0.17 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.69 3kck s LEU 849 CO 0.61 -1.19 0.53 -0.54 0.23 0.00 0.00 176.35 175.99 3kck s LYS 850 N 3.66 4.19 0.33 1.70 1.02 -0.46 -4.91 119.74 125.27 3kck s LYS 850 Ca 0.25 0.43 -0.29 0.00 0.02 0.00 0.00 55.97 56.38 3kck s LYS 850 Cb -0.15 -3.56 -0.11 0.00 -0.52 0.00 0.00 37.83 33.49 3kck s LYS 850 CO 0.16 -0.16 1.52 0.12 -0.92 0.00 0.00 175.35 176.07 3kck s PHE 851 N 1.66 2.71 0.00 3.18 5.36 -1.26 -0.93 117.98 128.71 3kck s PHE 851 Ca 0.24 1.00 0.00 0.00 -0.96 0.00 0.00 56.93 57.22 3kck s PHE 851 Cb -0.15 -4.01 0.00 0.00 -0.34 0.00 0.00 43.02 38.51 3kck s PHE 851 CO 0.10 -3.17 0.00 1.28 -1.46 0.00 0.00 175.22 171.96 3kck n LEU 852 N 1.34 1.00 -3.60 6.12 4.77 -0.41 -4.83 117.00 121.39 3kck n LEU 852 Ca 0.04 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.91 3kck n LEU 852 Cb 0.39 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.41 3kck n LEU 852 CO 0.63 0.15 0.65 -1.58 -1.33 0.00 0.00 177.39 175.91 3kck s GLN 853 N -1.98 0.67 0.19 3.23 0.74 -1.01 -5.00 119.66 116.50 3kck s GLN 853 Ca 0.00 0.50 -0.30 0.00 0.05 0.00 0.00 55.36 55.61 3kck s GLN 853 Cb 0.00 0.32 -0.08 0.00 1.10 0.00 0.00 33.01 34.35 3kck s GLN 853 CO 0.00 -0.14 1.07 -1.14 -0.55 0.00 0.00 175.29 174.53 3kck s GLN 854 N -0.31 4.63 -0.08 1.67 0.74 -1.26 0.37 119.66 125.43 3kck s GLN 854 Ca -0.01 1.68 0.05 0.00 0.05 0.00 0.00 55.36 57.14 3kck s GLN 854 Cb -0.03 -3.28 -0.09 0.00 1.10 0.00 0.00 33.01 30.72 3kck s GLN 854 CO -0.01 0.15 0.00 1.28 -0.55 0.00 0.00 175.29 176.16 3kck n LEU 855 N 2.17 0.68 -3.64 3.68 4.77 0.97 -4.84 117.00 120.78 3kck n LEU 855 Ca 0.02 -0.01 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 3kck n LEU 855 Cb 0.46 0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.57 3kck n LEU 855 CO 0.53 0.30 1.15 -0.83 -1.33 0.00 0.00 177.39 177.22 3kck s GLY 856 N -4.18 0.21 0.11 -0.72 0.00 -1.09 -4.99 107.32 96.66 3kck s GLY 856 Ca -0.06 3.14 0.09 0.00 0.00 0.00 0.00 44.72 47.89 3kck s GLY 856 CO 0.30 1.48 -0.22 0.54 0.00 0.00 0.00 173.10 175.20 3kck s LYS 857 N -0.55 1.19 0.00 2.90 -0.14 -1.26 -0.32 119.74 121.56 3kck s LYS 857 Ca 0.08 -1.22 0.00 0.00 -1.36 0.00 0.00 55.97 53.47 3kck s LYS 857 Cb -0.03 -1.50 0.00 0.00 -1.68 0.00 0.00 37.83 34.62 3kck s LYS 857 CO -0.11 0.35 0.00 0.41 -0.76 0.00 0.00 175.35 175.24 3kck n GLY 858 N 1.00 -0.91 0.00 -3.33 0.00 -1.26 -4.97 105.19 95.72 3kck n GLY 858 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3kck n GLY 858 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kck n GLY 861 N 1.15 0.00 3.23 -0.02 0.00 -1.26 -5.22 105.19 103.07 3kck n GLY 861 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3kck n GLY 861 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kck s SER 862 N -1.06 -0.34 -0.13 1.61 1.04 -0.58 -4.81 113.70 109.42 3kck s SER 862 Ca 0.00 0.63 -0.01 0.00 0.48 0.00 0.00 55.95 57.06 3kck s SER 862 Cb 0.00 0.66 -0.02 0.00 0.10 0.00 0.00 66.02 66.76 3kck s SER 862 CO 0.00 -0.14 -0.12 -0.69 0.98 0.00 0.00 173.24 173.27 3kck s VAL 863 N 0.07 3.17 0.09 5.02 1.01 0.57 -2.10 120.40 128.23 3kck s VAL 863 Ca -0.01 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.42 3kck s VAL 863 Cb -0.03 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 3kck s VAL 863 CO 0.01 0.52 -0.18 -1.61 0.00 0.00 0.00 175.10 173.84 3kck s GLU 864 N 0.33 1.01 -0.19 2.72 2.02 -0.14 -0.02 118.70 124.43 3kck s GLU 864 Ca -0.10 -1.10 -0.22 0.00 0.02 0.00 0.00 54.97 53.58 3kck s GLU 864 Cb -0.16 -1.15 -0.02 0.00 0.10 0.00 0.00 34.13 32.90 3kck s GLU 864 CO 0.05 0.26 0.67 1.41 0.02 0.00 0.00 175.26 177.67 3kck s MET 865 N -1.92 4.23 0.23 1.61 -2.45 0.16 -0.27 119.30 120.89 3kck s MET 865 Ca 0.04 0.69 0.07 0.00 -1.25 0.00 0.00 55.69 55.24 3kck s MET 865 Cb -0.10 -3.58 -0.05 0.00 1.25 0.00 0.00 34.83 32.36 3kck s MET 865 CO 0.04 -0.26 -0.11 0.00 1.05 0.00 0.00 175.02 175.74 3kck s ARG 867 N -3.68 3.87 -0.57 0.00 3.52 -0.10 0.18 118.95 122.17 3kck s ARG 867 Ca 0.25 -0.37 -0.26 0.00 -0.13 0.00 0.00 55.73 55.23 3kck s ARG 867 Cb 0.01 -3.51 0.04 0.00 -1.56 0.00 0.00 34.95 29.93 3kck s ARG 867 CO 0.09 -0.12 1.06 -0.47 -0.81 0.00 0.00 175.30 175.05 3kck s TYR 868 N 1.53 2.70 -0.54 5.12 5.04 0.23 -1.35 117.35 130.08 3kck s TYR 868 Ca 0.07 0.19 0.07 0.00 -2.44 0.00 0.00 57.07 54.95 3kck s TYR 868 Cb -0.15 -4.28 0.26 0.00 0.35 0.00 0.00 41.96 38.14 3kck s TYR 868 CO 0.07 -1.47 0.70 -3.47 -1.34 0.00 0.00 175.55 170.04 3kck n ASP 869 N 7.93 2.59 0.24 4.32 2.03 -0.31 -2.76 116.55 130.59 3kck n ASP 869 Ca 0.05 -3.22 0.12 0.00 0.52 0.00 0.00 54.79 52.26 3kck n ASP 869 Cb 0.48 -0.65 0.54 0.00 -0.72 0.00 0.00 41.12 40.78 3kck n ASP 869 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3kck h PRO 870 N 3.94 0.00 0.00 -0.67 0.13 -1.92 -2.14 132.00 131.34 3kck h PRO 870 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3kck h PRO 870 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 3kck h PRO 870 CO 0.70 0.17 0.00 -0.07 -0.23 0.00 0.00 178.00 178.57 3kck h LEU 871 N 0.00 0.00 0.46 1.56 -0.00 -1.97 -3.47 115.31 111.89 3kck h LEU 871 Ca -0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.68 3kck h LEU 871 Cb 0.64 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.22 3kck h LEU 871 CO 0.02 0.00 -0.18 0.00 -0.00 0.00 0.00 178.44 178.28 3kck n GLN 872 N -2.56 -0.76 -0.08 1.13 6.02 -0.81 -4.86 117.38 115.46 3kck n GLN 872 Ca 0.03 0.82 0.07 0.00 -0.01 0.00 0.00 57.00 57.91 3kck n GLN 872 Cb 0.37 -4.74 0.11 0.00 1.02 0.00 0.00 30.24 27.00 3kck n GLN 872 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3kck n ASP 873 N 0.22 2.39 -1.69 1.08 5.75 -1.26 -5.01 116.55 118.04 3kck n ASP 873 Ca -0.10 -2.72 -0.17 0.00 -0.01 0.00 0.00 54.79 51.79 3kck n ASP 873 Cb 0.34 -0.30 -0.04 0.00 -1.03 0.00 0.00 41.12 40.09 3kck n ASP 873 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3kck n ASN 874 N -1.01 -5.11 -0.90 -1.12 3.02 -1.26 -4.89 115.26 104.00 3kck n ASN 874 Ca 0.11 0.19 0.10 0.00 -0.03 0.00 0.00 54.58 54.95 3kck n ASN 874 Cb 0.54 -4.17 0.16 0.00 -0.61 0.00 0.00 39.78 35.70 3kck n ASN 874 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3kck n THR 875 N -3.32 0.42 -1.67 3.41 -2.24 -1.26 -5.03 114.28 104.59 3kck n THR 875 Ca -0.19 -0.71 -0.30 0.00 -2.27 0.00 0.00 64.05 60.58 3kck n THR 875 Cb 0.62 1.02 0.07 0.00 -2.10 0.00 0.00 70.33 69.94 3kck n THR 875 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3kck s GLY 876 N -1.34 1.63 0.30 3.38 0.00 -1.26 -5.00 107.32 105.02 3kck s GLY 876 Ca 0.30 -0.23 -0.29 0.00 0.00 0.00 0.00 44.72 44.49 3kck s GLY 876 CO 0.25 0.17 1.45 1.85 0.00 0.00 0.00 173.10 176.82 3kck s GLU 877 N -5.22 4.23 -0.12 2.90 2.12 -1.11 -4.61 118.70 116.88 3kck s GLU 877 Ca 0.60 2.39 -0.24 0.00 0.36 0.00 0.00 54.97 58.08 3kck s GLU 877 Cb -0.13 -3.05 -0.03 0.00 0.26 0.00 0.00 34.13 31.18 3kck s GLU 877 CO 0.53 -0.43 0.76 0.08 -0.54 0.00 0.00 175.26 175.66 3kck s VAL 878 N -0.51 4.97 0.14 3.70 1.01 -1.26 0.75 120.40 129.20 3kck s VAL 878 Ca 0.56 1.51 0.05 0.00 0.00 0.00 0.00 61.98 64.10 3kck s VAL 878 Cb -0.43 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 3kck s VAL 878 CO 0.51 0.14 -0.11 0.68 0.00 0.00 0.00 175.10 176.31 3kck s VAL 879 N 1.51 1.24 -0.07 2.92 -7.23 0.13 -4.14 120.40 114.76 3kck s VAL 879 Ca 0.37 -1.97 -0.07 0.00 -1.81 0.00 0.00 61.98 58.50 3kck s VAL 879 Cb -0.17 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 3kck s VAL 879 CO 0.15 -0.65 0.19 0.00 -0.31 0.00 0.00 175.10 174.49 3kck s ALA 880 N -2.98 3.87 -0.06 1.32 0.00 -0.59 -0.25 121.76 123.08 3kck s ALA 880 Ca 0.15 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.50 3kck s ALA 880 Cb 0.00 -2.01 0.02 0.00 0.00 0.00 0.00 23.12 21.14 3kck s ALA 880 CO 0.02 0.64 -0.05 0.08 0.00 0.00 0.00 175.76 176.45 3kck s VAL 881 N -1.14 0.59 -0.07 0.00 1.01 0.63 -0.91 120.40 120.53 3kck s VAL 881 Ca 0.20 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.09 3kck s VAL 881 Cb -0.13 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 3kck s VAL 881 CO 0.10 0.25 -0.14 -0.75 0.00 0.00 0.00 175.10 174.56 3kck s LYS 882 N 1.14 2.67 0.12 2.72 2.20 -0.28 -0.96 119.74 127.35 3kck s LYS 882 Ca -0.07 -0.69 -0.01 0.00 -0.36 0.00 0.00 55.97 54.83 3kck s LYS 882 Cb -0.14 -2.43 -0.04 0.00 -1.51 0.00 0.00 37.83 33.71 3kck s LYS 882 CO -0.01 0.54 0.04 -1.59 -0.36 0.00 0.00 175.35 173.97 3kck s LYS 883 N -0.52 0.90 0.34 4.03 -2.85 -0.89 -0.47 119.74 120.28 3kck s LYS 883 Ca 0.07 -1.42 -0.26 0.00 -1.00 0.00 0.00 55.97 53.37 3kck s LYS 883 Cb -0.12 0.18 -0.10 0.00 -2.06 0.00 0.00 37.83 35.74 3kck s LYS 883 CO 0.02 -0.22 0.97 -0.51 0.10 0.00 0.00 175.35 175.70 3kck s LEU 884 N -3.04 4.30 -0.09 2.77 1.43 -1.26 -1.53 118.68 121.25 3kck s LEU 884 Ca 0.21 1.87 -0.08 0.00 -1.03 0.00 0.00 54.13 55.11 3kck s LEU 884 Cb 0.07 -4.06 -0.06 0.00 0.03 0.00 0.00 46.19 42.18 3kck s LEU 884 CO 0.00 -0.15 0.29 1.56 0.23 0.00 0.00 176.35 178.28 3kck h GLN 885 N 3.03 -0.14 -5.06 1.70 4.20 -1.95 -3.46 115.11 113.43 3kck h GLN 885 Ca -0.47 0.01 -0.67 0.00 0.06 0.00 0.00 58.65 57.58 3kck h GLN 885 Cb 1.19 0.03 -0.35 0.00 0.30 0.00 0.00 27.48 28.66 3kck h GLN 885 CO 0.64 0.03 -0.86 -1.01 -0.67 0.00 0.00 178.83 176.97 3kck s HIS 886 N -2.18 2.78 -0.67 2.96 0.09 -1.26 -5.06 115.29 111.95 3kck s HIS 886 Ca -0.05 -1.64 -0.02 0.00 -0.00 0.00 0.00 55.06 53.35 3kck s HIS 886 Cb -0.00 -1.92 0.29 0.00 -0.00 0.00 0.00 32.58 30.95 3kck s HIS 886 CO 0.16 -0.80 2.21 -1.13 -0.00 0.00 0.00 174.74 175.18 3kck n SER 887 N 4.62 7.23 -4.72 1.40 3.41 -1.26 -4.87 113.62 119.43 3kck n SER 887 Ca -0.21 -3.61 -0.33 0.00 -0.26 0.00 0.00 58.87 54.46 3kck n SER 887 Cb 0.50 -1.09 0.11 0.00 -0.26 0.00 0.00 64.21 63.47 3kck n SER 887 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3kck s THR 888 N -4.12 2.44 0.52 6.66 -4.23 -1.26 -4.81 115.64 110.84 3kck s THR 888 Ca 0.54 0.18 0.17 0.00 -1.18 0.00 0.00 61.69 61.41 3kck s THR 888 Cb 0.42 -2.59 0.29 0.00 1.34 0.00 0.00 72.50 71.96 3kck s THR 888 CO -0.26 -0.14 2.13 1.05 -0.54 0.00 0.00 174.62 176.86 3kck h GLU 889 N -0.80 0.01 -0.04 3.99 4.11 -1.99 -1.82 114.58 118.04 3kck h GLU 889 Ca -0.46 -0.00 -0.23 0.00 0.07 0.00 0.00 59.36 58.74 3kck h GLU 889 Cb 1.28 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.54 3kck h GLU 889 CO 0.48 0.01 -0.87 1.49 0.07 0.00 0.00 179.01 180.18 3kck h GLU 890 N 0.01 0.66 -0.36 1.06 4.81 -1.98 -1.78 114.58 117.00 3kck h GLU 890 Ca 0.04 -0.66 -0.10 0.00 -0.13 0.00 0.00 59.36 58.50 3kck h GLU 890 Cb 0.13 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 3kck h GLU 890 CO -0.00 1.26 -0.20 0.45 -0.73 0.00 0.00 179.01 179.78 3kck h HIS 891 N 0.32 0.78 -0.52 0.92 3.86 -1.84 -1.97 115.15 116.70 3kck h HIS 891 Ca -0.10 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 58.94 3kck h HIS 891 Cb 1.53 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 29.79 3kck h HIS 891 CO 0.11 0.84 0.28 -0.07 0.86 0.00 0.00 177.93 179.95 3kck h LEU 892 N 0.61 0.65 -1.10 2.43 3.38 -1.37 -0.51 115.31 119.41 3kck h LEU 892 Ca 0.09 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3kck h LEU 892 Cb 0.68 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3kck h LEU 892 CO 0.05 0.56 0.33 -0.09 0.09 0.00 0.00 178.44 179.38 3kck h ARG 893 N 0.69 0.96 -0.20 1.13 2.43 -1.20 0.52 114.38 118.72 3kck h ARG 893 Ca 0.18 -0.13 -0.18 0.00 -0.81 0.00 0.00 59.98 59.05 3kck h ARG 893 Cb 0.05 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.42 3kck h ARG 893 CO -0.03 0.74 -0.59 -0.44 -1.51 0.00 0.00 179.97 178.14 3kck h ASP 894 N 0.96 0.73 -0.46 -3.80 3.32 -1.06 -2.43 116.42 113.68 3kck h ASP 894 Ca 0.24 -0.41 -0.08 0.00 0.02 0.00 0.00 57.03 56.80 3kck h ASP 894 Cb 0.09 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3kck h ASP 894 CO -0.03 1.15 -0.03 0.15 -1.72 0.00 0.00 179.24 178.76 3kck h PHE 895 N 0.48 0.91 -0.42 4.55 3.57 -0.76 0.03 116.94 125.30 3kck h PHE 895 Ca -0.00 -0.17 -0.08 0.00 3.53 0.00 0.00 57.97 61.25 3kck h PHE 895 Cb 1.16 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 3kck h PHE 895 CO 0.06 0.89 -0.07 1.49 -2.23 0.00 0.00 178.31 178.44 3kck h GLU 896 N 0.67 0.72 -0.26 1.11 4.57 -0.95 0.97 114.58 121.41 3kck h GLU 896 Ca 0.13 -0.21 -0.10 0.00 -1.18 0.00 0.00 59.36 58.00 3kck h GLU 896 Cb 0.54 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.06 3kck h GLU 896 CO 0.03 0.78 -0.22 0.00 -1.18 0.00 0.00 179.01 178.41 3kck h ARG 897 N 0.66 0.60 -0.50 1.92 3.08 -1.08 -2.08 114.38 117.00 3kck h ARG 897 Ca 0.12 -0.31 0.08 0.00 0.07 0.00 0.00 59.98 59.94 3kck h ARG 897 Cb 0.51 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.50 3kck h ARG 897 CO 0.03 0.90 0.14 1.49 -1.07 0.00 0.00 179.97 181.46 3kck h GLU 898 N 0.32 0.28 0.01 0.04 4.81 -0.61 -0.63 114.58 118.81 3kck h GLU 898 Ca 0.04 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3kck h GLU 898 Cb 0.78 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.07 3kck h GLU 898 CO 0.06 0.19 -0.13 0.82 -0.73 0.00 0.00 179.01 179.22 3kck h ILE 899 N 0.29 0.68 -0.82 2.32 2.04 -0.62 -1.72 117.51 119.68 3kck h ILE 899 Ca 0.25 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.21 3kck h ILE 899 Cb 0.30 0.68 -0.08 0.00 -0.74 0.00 0.00 36.82 36.99 3kck h ILE 899 CO -0.29 0.00 0.46 -0.33 0.00 0.00 0.00 178.15 177.99 3kck h GLU 900 N -0.22 0.73 0.04 2.37 4.39 -0.92 -1.63 114.58 119.35 3kck h GLU 900 Ca 0.04 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kck h GLU 900 Cb 0.27 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3kck h GLU 900 CO -0.12 0.48 -0.02 0.82 -1.16 0.00 0.00 179.01 179.01 3kck h ILE 901 N 0.75 1.05 -0.76 3.13 2.04 -0.89 -2.19 117.51 120.64 3kck h ILE 901 Ca 0.40 -0.30 -0.05 0.00 1.00 0.00 0.00 64.86 65.92 3kck h ILE 901 Cb 0.41 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 3kck h ILE 901 CO -0.27 0.07 0.27 0.25 0.00 0.00 0.00 178.15 178.48 3kck h LEU 902 N -0.19 1.08 -1.78 1.44 5.85 -1.20 -2.24 115.31 118.28 3kck h LEU 902 Ca -0.01 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 3kck h LEU 902 Cb 0.17 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 3kck h LEU 902 CO 0.01 0.98 -0.10 0.50 -0.34 0.00 0.00 178.44 179.50 3kck h LYS 903 N 1.12 0.02 -0.01 1.25 3.64 -1.25 -2.37 116.57 118.97 3kck h LYS 903 Ca 0.25 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3kck h LYS 903 Cb 0.27 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3kck h LYS 903 CO -0.01 0.12 -0.02 -1.13 -2.27 0.00 0.00 179.45 176.13 3kck n SER 904 N -4.41 0.67 -4.46 4.20 3.41 -0.83 -4.84 113.62 107.36 3kck n SER 904 Ca -0.03 -1.12 -0.35 0.00 -0.26 0.00 0.00 58.87 57.12 3kck n SER 904 Cb 0.18 -0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 63.99 3kck n SER 904 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3kck s LEU 905 N -2.09 3.28 -0.31 1.04 1.43 -0.89 -5.05 118.68 116.09 3kck s LEU 905 Ca 0.41 -0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 53.30 3kck s LEU 905 Cb 0.21 -1.83 0.10 0.00 0.03 0.00 0.00 46.19 44.71 3kck s LEU 905 CO 0.38 0.08 0.12 0.00 0.23 0.00 0.00 176.35 177.16 3kck s GLN 906 N 0.91 0.50 -0.03 1.70 0.00 -1.26 -4.82 119.66 116.66 3kck s GLN 906 Ca 0.01 -0.88 -0.07 0.00 -0.00 0.00 0.00 55.36 54.41 3kck s GLN 906 Cb -0.14 -1.60 0.01 0.00 0.00 0.00 0.00 33.01 31.27 3kck s GLN 906 CO 0.02 -1.02 0.17 -1.58 0.00 0.00 0.00 175.29 172.88 3kck s HIS 907 N 1.76 -0.07 0.53 9.60 2.46 -1.26 -5.05 115.29 123.26 3kck s HIS 907 Ca 0.10 0.15 0.26 0.00 0.47 0.00 0.00 55.06 56.05 3kck s HIS 907 Cb -0.17 0.01 1.42 0.00 -0.13 0.00 0.00 32.58 33.70 3kck s HIS 907 CO -0.28 -0.22 1.98 -0.44 -2.47 0.00 0.00 174.74 173.31 3kck h ASP 908 N 4.90 0.00 -0.78 9.88 3.45 -1.98 -2.62 116.42 129.26 3kck h ASP 908 Ca -0.28 0.00 -0.53 0.00 0.43 0.00 0.00 57.03 56.65 3kck h ASP 908 Cb 1.19 0.00 -0.31 0.00 -0.56 0.00 0.00 39.33 39.65 3kck h ASP 908 CO 0.40 0.00 0.03 0.59 -1.57 0.00 0.00 179.24 178.69 3kck n ASN 909 N -4.34 5.44 -3.84 6.45 4.13 -1.26 -4.82 115.26 117.02 3kck n ASN 909 Ca 0.11 -3.77 -0.17 0.00 1.68 0.00 0.00 54.58 52.43 3kck n ASN 909 Cb 0.67 -0.66 -0.16 0.00 -1.54 0.00 0.00 39.78 38.09 3kck n ASN 909 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3kck s ILE 910 N -4.37 0.24 0.30 2.41 1.01 -0.99 -1.41 121.20 118.40 3kck s ILE 910 Ca 0.55 0.03 -0.30 0.00 0.00 0.00 0.00 60.65 60.94 3kck s ILE 910 Cb 0.45 -0.31 -0.12 0.00 0.01 0.00 0.00 42.46 42.49 3kck s ILE 910 CO 0.02 0.15 1.47 0.55 0.00 0.00 0.00 174.94 177.13 3kck n VAL 911 N 4.02 1.34 -2.71 2.92 3.14 -0.63 -4.61 118.33 121.80 3kck n VAL 911 Ca -0.26 -0.33 -0.42 0.00 -2.96 0.00 0.00 64.34 60.37 3kck n VAL 911 Cb 0.51 -1.77 -0.03 0.00 -1.06 0.00 0.00 33.84 31.49 3kck n VAL 911 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3kck s LYS 912 N -0.99 4.46 0.21 1.45 1.02 -1.26 -5.00 119.74 119.64 3kck s LYS 912 Ca 0.62 1.38 -0.30 0.00 0.02 0.00 0.00 55.97 57.68 3kck s LYS 912 Cb -0.55 -3.51 -0.09 0.00 -0.52 0.00 0.00 37.83 33.16 3kck s LYS 912 CO 0.54 -0.22 1.30 -0.47 -0.92 0.00 0.00 175.35 175.57 3kck s TYR 913 N 1.66 3.26 -0.12 3.18 5.04 -1.26 -2.22 117.35 126.89 3kck s TYR 913 Ca 0.49 1.26 0.01 0.00 -2.44 0.00 0.00 57.07 56.39 3kck s TYR 913 Cb -0.19 -3.59 -0.08 0.00 0.35 0.00 0.00 41.96 38.45 3kck s TYR 913 CO 0.21 -1.79 -0.11 1.63 -1.34 0.00 0.00 175.55 174.15 3kck n LYS 914 N 2.46 0.33 -3.40 4.97 5.02 -0.19 -4.86 118.16 122.49 3kck n LYS 914 Ca 0.05 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3kck n LYS 914 Cb 0.43 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 3kck n LYS 914 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kck n GLY 915 N 2.90 -1.14 3.02 0.72 0.00 -0.96 -5.00 105.19 104.73 3kck n GLY 915 Ca -0.22 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.66 3kck n GLY 915 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kck s VAL 916 N -3.00 0.85 -0.24 1.61 1.01 -1.26 0.14 120.40 119.51 3kck s VAL 916 Ca 0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 3kck s VAL 916 Cb 0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 3kck s VAL 916 CO 0.00 0.26 0.09 0.00 0.00 0.00 0.00 175.10 175.45 3kck s TYR 918 N 1.35 2.63 -0.14 0.00 2.02 -1.26 -1.67 117.35 120.28 3kck s TYR 918 Ca 0.05 -0.34 -0.06 0.00 -0.37 0.00 0.00 57.07 56.35 3kck s TYR 918 Cb -0.15 -2.47 0.06 0.00 -0.40 0.00 0.00 41.96 39.00 3kck s TYR 918 CO 0.04 -0.65 0.31 0.45 -1.57 0.00 0.00 175.55 174.14 3kck s SER 919 N -4.41 -0.21 0.50 2.29 0.15 -1.26 -4.76 113.70 105.99 3kck s SER 919 Ca 0.57 0.69 -0.20 0.00 0.70 0.00 0.00 55.95 57.71 3kck s SER 919 Cb -0.09 0.66 -0.11 0.00 -1.71 0.00 0.00 66.02 64.77 3kck s SER 919 CO 0.35 -0.20 0.46 0.00 1.20 0.00 0.00 173.24 175.06 3kck n ALA 920 N 4.58 -1.49 0.00 5.45 0.00 -1.26 -1.09 120.51 126.70 3kck n ALA 920 Ca -0.19 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3kck n ALA 920 Cb 0.53 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.22 3kck n ALA 920 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kck n GLY 921 N 1.86 0.20 0.10 0.00 0.00 -1.26 -3.97 105.19 102.13 3kck n GLY 921 Ca 0.11 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 3kck n GLY 921 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kck n ARG 922 N 0.00 0.78 -3.32 1.61 1.85 -1.26 -5.02 116.66 111.30 3kck n ARG 922 Ca 0.00 0.02 -0.10 0.00 -1.00 0.00 0.00 57.85 56.76 3kck n ARG 922 Cb 0.00 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 29.92 3kck n ARG 922 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3kck n ARG 923 N -2.81 -1.43 -3.24 2.89 0.63 -0.25 -4.92 116.66 107.54 3kck n ARG 923 Ca -0.34 1.16 -0.45 0.00 -0.92 0.00 0.00 57.85 57.31 3kck n ARG 923 Cb 1.11 -4.71 0.00 0.00 0.45 0.00 0.00 32.46 29.30 3kck n ARG 923 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 3kck n ASN 924 N -2.18 5.50 -4.34 6.15 2.85 -1.26 -4.92 115.26 117.06 3kck n ASN 924 Ca -0.10 -3.04 -0.37 0.00 -0.11 0.00 0.00 54.58 50.95 3kck n ASN 924 Cb 0.57 -1.41 0.04 0.00 1.24 0.00 0.00 39.78 40.21 3kck n ASN 924 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3kck n LEU 925 N 3.20 -1.41 -4.24 1.20 4.77 -1.26 -4.79 117.00 114.47 3kck n LEU 925 Ca 0.27 0.60 -0.32 0.00 -0.03 0.00 0.00 56.01 56.53 3kck n LEU 925 Cb 0.39 -1.04 -0.17 0.00 -2.33 0.00 0.00 43.42 40.28 3kck n LEU 925 CO 0.52 -3.98 -0.56 -0.54 -1.33 0.00 0.00 177.39 171.50 3kck s LYS 926 N -1.97 2.89 -0.20 3.23 1.02 -0.67 -4.55 119.74 119.49 3kck s LYS 926 Ca 0.60 -0.89 -0.27 0.00 0.02 0.00 0.00 55.97 55.44 3kck s LYS 926 Cb -0.40 -2.26 -0.01 0.00 -0.52 0.00 0.00 37.83 34.65 3kck s LYS 926 CO 0.63 0.25 0.91 -1.17 -0.92 0.00 0.00 175.35 175.04 3kck s LEU 927 N 0.17 4.14 -0.16 3.17 2.96 0.38 -1.10 118.68 128.24 3kck s LEU 927 Ca -0.14 1.23 -0.07 0.00 -0.22 0.00 0.00 54.13 54.93 3kck s LEU 927 Cb -0.17 -3.34 -0.04 0.00 0.50 0.00 0.00 46.19 43.14 3kck s LEU 927 CO 0.07 -0.51 0.08 -0.63 -1.32 0.00 0.00 176.35 174.04 3kck s ILE 928 N 2.61 4.93 0.21 6.68 1.01 0.12 -1.12 121.20 135.64 3kck s ILE 928 Ca 0.40 0.01 -0.00 0.00 0.00 0.00 0.00 60.65 61.06 3kck s ILE 928 Cb -0.16 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 3kck s ILE 928 CO 0.10 0.50 0.10 -0.04 0.00 0.00 0.00 174.94 175.60 3kck s MET 929 N 0.00 1.24 0.37 2.79 -1.94 -0.08 -1.03 119.30 120.66 3kck s MET 929 Ca 0.07 -1.65 -0.28 0.00 -1.71 0.00 0.00 55.69 52.11 3kck s MET 929 Cb -0.12 0.04 -0.11 0.00 2.01 0.00 0.00 34.83 36.66 3kck s MET 929 CO 0.01 -0.33 1.45 -1.83 -0.01 0.00 0.00 175.02 174.31 3kck s GLU 930 N -4.09 4.13 -0.24 2.03 -1.05 -0.94 -1.54 118.70 116.99 3kck s GLU 930 Ca 0.36 2.50 -0.20 0.00 -0.15 0.00 0.00 54.97 57.48 3kck s GLU 930 Cb 0.07 -2.97 -0.02 0.00 -0.44 0.00 0.00 34.13 30.77 3kck s GLU 930 CO 0.11 -0.49 0.61 -0.47 0.95 0.00 0.00 175.26 175.97 3kck s TYR 931 N -1.13 3.30 -0.37 4.83 5.04 -1.26 -4.29 117.35 123.47 3kck s TYR 931 Ca 0.52 0.81 -0.14 0.00 -2.44 0.00 0.00 57.07 55.82 3kck s TYR 931 Cb -0.45 -2.81 -0.00 0.00 0.35 0.00 0.00 41.96 39.05 3kck s TYR 931 CO 0.61 -0.28 0.27 -0.51 -1.34 0.00 0.00 175.55 174.30 3kck s LEU 932 N 2.33 4.73 0.00 6.97 1.43 -1.26 -4.97 118.68 127.91 3kck s LEU 932 Ca 0.26 -0.58 0.29 0.00 -1.03 0.00 0.00 54.13 53.07 3kck s LEU 932 Cb -0.16 -2.17 1.20 0.00 0.03 0.00 0.00 46.19 45.10 3kck s LEU 932 CO 0.09 -0.32 1.84 -0.81 0.23 0.00 0.00 176.35 177.38 3kck n PRO 933 N 5.16 0.76 0.00 1.29 -0.04 -1.24 -2.70 135.00 138.23 3kck n PRO 933 Ca -0.12 -0.28 0.12 0.00 -0.04 0.00 0.00 63.50 63.18 3kck n PRO 933 Cb 0.49 -1.49 0.11 0.00 -0.04 0.00 0.00 33.50 32.56 3kck n PRO 933 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3kck n TYR 934 N -0.87 0.00 -4.19 0.54 4.01 -1.11 -5.06 117.16 110.48 3kck n TYR 934 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 3kck n TYR 934 Cb 0.28 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 3kck n TYR 934 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kck n GLY 935 N 1.38 -0.19 3.76 2.72 0.00 -1.10 -4.62 105.19 107.14 3kck n GLY 935 Ca 0.11 -1.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.70 3kck n GLY 935 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kck s SER 936 N -4.00 7.38 0.34 1.61 1.04 -1.26 0.11 113.70 118.93 3kck s SER 936 Ca 0.00 2.17 0.02 0.00 0.48 0.00 0.00 55.95 58.62 3kck s SER 936 Cb 0.00 -2.62 0.62 0.00 0.10 0.00 0.00 66.02 64.12 3kck s SER 936 CO 0.00 -0.06 2.00 0.25 0.98 0.00 0.00 173.24 176.42 3kck h LEU 937 N 3.97 0.75 0.01 2.42 5.85 -0.59 0.17 115.31 127.89 3kck h LEU 937 Ca -0.46 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.27 3kck h LEU 937 Cb 1.21 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 3kck h LEU 937 CO 0.67 0.54 -0.21 -0.09 -0.34 0.00 0.00 178.44 179.01 3kck h ARG 938 N 0.89 -0.33 -0.21 1.25 2.43 -1.75 0.99 114.38 117.64 3kck h ARG 938 Ca 0.25 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.34 3kck h ARG 938 Cb -0.08 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 3kck h ARG 938 CO -0.06 -0.22 -0.31 -0.44 -1.51 0.00 0.00 179.97 177.43 3kck h ASP 939 N -0.35 0.43 -0.11 -3.80 3.32 -1.74 -1.46 116.42 112.70 3kck h ASP 939 Ca 0.06 -0.16 -0.15 0.00 0.02 0.00 0.00 57.03 56.79 3kck h ASP 939 Cb 0.42 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3kck h ASP 939 CO -0.19 0.73 -0.47 0.22 -1.72 0.00 0.00 179.24 177.81 3kck h TYR 940 N 0.36 0.82 0.03 4.55 3.20 -0.50 -2.63 116.97 122.80 3kck h TYR 940 Ca 0.05 -0.26 -0.25 0.00 3.14 0.00 0.00 58.73 61.40 3kck h TYR 940 Cb 0.73 -0.17 0.01 0.00 1.54 0.00 0.00 36.73 38.85 3kck h TYR 940 CO 0.02 1.01 -1.04 1.25 -1.64 0.00 0.00 178.16 177.77 3kck h LEU 941 N 0.54 0.65 -0.45 2.82 6.46 -0.62 -2.70 115.31 122.00 3kck h LEU 941 Ca 0.03 -0.55 0.09 0.00 -0.12 0.00 0.00 57.88 57.33 3kck h LEU 941 Cb 1.02 -0.20 -0.07 0.00 -0.73 0.00 0.00 40.66 40.67 3kck h LEU 941 CO 0.10 1.36 0.01 1.56 -0.62 0.00 0.00 178.44 180.84 3kck h GLN 942 N 0.26 0.11 -0.61 1.25 4.20 -1.26 0.19 115.11 119.25 3kck h GLN 942 Ca -0.11 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 3kck h GLN 942 Cb 1.69 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 29.42 3kck h GLN 942 CO 0.19 0.08 0.29 0.87 -0.67 0.00 0.00 178.83 179.58 3kck h LYS 943 N 0.12 0.89 -0.02 1.46 1.57 -1.42 -3.22 116.57 115.95 3kck h LYS 943 Ca 0.23 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3kck h LYS 943 Cb 0.33 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3kck h LYS 943 CO -0.37 0.72 -0.30 0.72 -0.57 0.00 0.00 179.45 179.65 3kck n HIS 944 N -4.50 0.00 0.00 -1.35 8.25 -1.02 -5.02 115.22 111.58 3kck n HIS 944 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3kck n HIS 944 Cb 0.13 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.22 3kck n HIS 944 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3kck n LYS 945 N 0.20 0.00 0.00 -0.41 4.76 0.66 -1.50 118.16 121.87 3kck n LYS 945 Ca 0.12 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.59 3kck n LYS 945 Cb 0.47 0.00 0.19 0.00 -1.84 0.00 0.00 35.03 33.86 3kck n LYS 945 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3kck n GLU 946 N 0.00 0.25 -0.11 1.97 1.02 -1.26 -1.90 120.64 120.60 3kck n GLU 946 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 3kck n GLU 946 Cb 0.00 -1.41 0.17 0.00 -0.02 0.00 0.00 31.44 30.18 3kck n GLU 946 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3kck n ARG 947 N -0.91 1.56 -4.02 3.49 1.74 -0.56 -4.20 116.66 113.76 3kck n ARG 947 Ca 0.05 -0.87 -0.31 0.00 -0.77 0.00 0.00 57.85 55.95 3kck n ARG 947 Cb 0.02 -1.22 -0.15 0.00 -1.02 0.00 0.00 32.46 30.08 3kck n ARG 947 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3kck s ILE 948 N -1.70 1.85 0.96 0.55 1.01 -0.80 -5.08 121.20 117.99 3kck s ILE 948 Ca 0.19 -1.29 -0.15 0.00 0.00 0.00 0.00 60.65 59.40 3kck s ILE 948 Cb 0.10 -1.96 0.21 0.00 0.01 0.00 0.00 42.46 40.82 3kck s ILE 948 CO 0.14 0.07 1.31 1.51 0.00 0.00 0.00 174.94 177.97 3kck s ASP 949 N 1.27 3.04 0.32 3.58 3.84 -1.26 -4.82 116.67 122.65 3kck s ASP 949 Ca -0.05 0.13 0.03 0.00 -0.00 0.00 0.00 52.55 52.66 3kck s ASP 949 Cb -0.18 -0.14 0.56 0.00 -1.38 0.00 0.00 42.92 41.78 3kck s ASP 949 CO -0.07 -2.77 1.87 0.45 -0.00 0.00 0.00 175.17 174.65 3kck h HIS 950 N -1.62 0.63 -0.33 2.11 3.86 -1.99 -1.60 115.15 116.20 3kck h HIS 950 Ca -0.43 -0.06 0.02 0.00 -1.16 0.00 0.00 60.37 58.74 3kck h HIS 950 Cb 1.22 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 29.49 3kck h HIS 950 CO -1.26 0.58 0.19 0.82 0.86 0.00 0.00 177.93 179.11 3kck h ILE 951 N 0.59 1.02 -0.68 2.45 2.04 -1.99 -1.46 117.51 119.47 3kck h ILE 951 Ca 0.13 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 3kck h ILE 951 Cb 0.31 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3kck h ILE 951 CO 0.01 0.07 0.25 0.50 0.00 0.00 0.00 178.15 178.97 3kck h LYS 952 N 0.38 1.03 -0.34 2.37 1.63 -1.70 -1.93 116.57 118.01 3kck h LYS 952 Ca 0.13 -0.20 -0.00 0.00 -0.85 0.00 0.00 60.65 59.73 3kck h LYS 952 Cb 0.02 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.47 3kck h LYS 952 CO -0.07 0.87 0.21 -0.07 -3.45 0.00 0.00 179.45 176.94 3kck h LEU 953 N 0.98 0.40 -0.17 5.20 3.38 -1.03 -1.48 115.31 122.58 3kck h LEU 953 Ca 0.22 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.97 3kck h LEU 953 Cb 0.25 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3kck h LEU 953 CO -0.01 0.31 -0.95 -0.07 0.09 0.00 0.00 178.44 177.80 3kck h LEU 954 N 0.47 0.19 -0.78 1.67 3.38 -0.91 -1.45 115.31 117.87 3kck h LEU 954 Ca 0.12 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.97 3kck h LEU 954 Cb -0.02 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 3kck h LEU 954 CO -0.02 1.03 0.48 -0.61 0.09 0.00 0.00 178.44 179.41 3kck h GLN 955 N 0.06 0.87 -0.41 1.13 4.15 -0.51 0.70 115.11 121.11 3kck h GLN 955 Ca -0.05 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.20 3kck h GLN 955 Cb 1.62 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 29.11 3kck h GLN 955 CO 0.14 0.58 -0.21 1.88 -1.93 0.00 0.00 178.83 179.28 3kck h TYR 956 N 0.90 1.00 0.23 3.99 0.05 -1.33 -2.34 116.97 119.46 3kck h TYR 956 Ca 0.33 -0.25 0.00 0.00 0.05 0.00 0.00 58.73 58.86 3kck h TYR 956 Cb 0.12 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.62 3kck h TYR 956 CO -0.04 1.03 -0.20 1.15 -1.05 0.00 0.00 178.16 179.05 3kck h THR 957 N 0.68 0.56 -0.72 -2.88 2.02 -1.08 0.11 112.91 111.60 3kck h THR 957 Ca 0.09 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.41 3kck h THR 957 Cb 0.78 0.56 -0.14 0.00 -1.74 0.00 0.00 68.15 67.62 3kck h THR 957 CO 0.06 0.00 -0.24 -1.28 0.37 0.00 0.00 175.52 174.43 3kck h SER 958 N -0.45 -0.87 0.16 4.18 0.87 -0.81 -1.52 113.55 115.10 3kck h SER 958 Ca -0.01 0.23 -0.13 0.00 -1.23 0.00 0.00 61.79 60.65 3kck h SER 958 Cb 0.41 0.51 -0.01 0.00 -0.44 0.00 0.00 62.40 62.88 3kck h SER 958 CO -0.03 -0.27 -0.49 1.56 -0.53 0.00 0.00 176.83 177.07 3kck h GLN 959 N -0.05 0.38 0.16 2.24 4.20 -1.23 -0.09 115.11 120.72 3kck h GLN 959 Ca 0.33 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 3kck h GLN 959 Cb 0.55 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.35 3kck h GLN 959 CO -0.76 0.79 -0.07 0.82 -0.67 0.00 0.00 178.83 178.93 3kck h ILE 960 N 0.31 0.86 -0.86 2.54 2.04 -0.48 -1.61 117.51 120.30 3kck h ILE 960 Ca 0.02 -0.07 0.09 0.00 1.00 0.00 0.00 64.86 65.90 3kck h ILE 960 Cb 0.97 0.90 -0.07 0.00 -0.74 0.00 0.00 36.82 37.88 3kck h ILE 960 CO 0.08 0.02 0.52 0.00 0.00 0.00 0.00 178.15 178.76 3kck h LYS 962 N 0.88 1.17 -0.01 0.00 1.57 -0.90 0.11 116.57 119.39 3kck h LYS 962 Ca 0.40 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3kck h LYS 962 Cb 0.32 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 3kck h LYS 962 CO -0.23 0.87 -0.01 0.78 -0.57 0.00 0.00 179.45 180.29 3kck h GLY 963 N 1.16 0.02 0.43 3.86 0.00 -0.79 -2.16 103.07 105.60 3kck h GLY 963 Ca 0.29 -0.02 0.10 0.00 0.00 0.00 0.00 47.33 47.70 3kck h GLY 963 CO -0.04 0.02 0.40 -0.33 0.00 0.00 0.00 176.54 176.59 3kck h MET 964 N -0.45 0.64 -0.73 4.80 2.86 -1.17 -1.47 114.93 119.40 3kck h MET 964 Ca 0.00 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3kck h MET 964 Cb 0.49 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.96 3kck h MET 964 CO 0.00 0.42 0.47 1.49 1.06 0.00 0.00 176.91 180.35 3kck h GLU 965 N 0.66 0.89 -0.42 1.72 4.22 -0.72 0.12 114.58 121.04 3kck h GLU 965 Ca 0.38 -0.05 -0.05 0.00 0.08 0.00 0.00 59.36 59.72 3kck h GLU 965 Cb 0.42 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3kck h GLU 965 CO -0.28 0.59 0.06 -0.92 -2.18 0.00 0.00 179.01 176.28 3kck h TYR 966 N 0.91 0.75 -0.94 0.92 3.20 -0.86 -1.72 116.97 119.23 3kck h TYR 966 Ca 0.29 -0.11 0.21 0.00 3.14 0.00 0.00 58.73 62.27 3kck h TYR 966 Cb 0.01 -0.20 -0.12 0.00 1.54 0.00 0.00 36.73 37.95 3kck h TYR 966 CO -0.04 0.72 0.49 1.25 -1.64 0.00 0.00 178.16 178.95 3kck h LEU 967 N 0.55 0.53 -0.78 2.82 5.85 -0.89 -1.73 115.31 121.67 3kck h LEU 967 Ca 0.13 0.13 -0.12 0.00 0.84 0.00 0.00 57.88 58.85 3kck h LEU 967 Cb 0.38 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3kck h LEU 967 CO 0.01 0.11 -0.42 1.23 -0.34 0.00 0.00 178.44 179.02 3kck h GLY 968 N 0.54 0.45 2.00 3.75 0.00 0.10 -2.71 103.07 107.21 3kck h GLY 968 Ca 0.57 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3kck h GLY 968 CO -0.46 0.41 0.00 -1.30 0.00 0.00 0.00 176.54 175.18 3kck n THR 969 N -4.02 1.07 0.93 4.70 -2.24 -0.65 -1.00 114.28 113.07 3kck n THR 969 Ca -0.02 0.50 0.11 0.00 -2.27 0.00 0.00 64.05 62.37 3kck n THR 969 Cb 0.51 -1.46 0.06 0.00 -2.10 0.00 0.00 70.33 67.35 3kck n THR 969 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kck n LYS 970 N -2.12 1.87 -2.69 -0.78 4.76 -1.06 -4.98 118.16 113.16 3kck n LYS 970 Ca 0.00 -1.57 -0.11 0.00 -2.87 0.00 0.00 58.31 53.76 3kck n LYS 970 Cb 0.11 -1.43 0.02 0.00 -1.84 0.00 0.00 35.03 31.89 3kck n LYS 970 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3kck n ARG 971 N 0.87 -2.67 -4.09 1.97 1.74 -0.17 -4.92 116.66 109.40 3kck n ARG 971 Ca 0.12 0.46 -0.36 0.00 -0.77 0.00 0.00 57.85 57.30 3kck n ARG 971 Cb 0.52 -4.38 -0.08 0.00 -1.02 0.00 0.00 32.46 27.50 3kck n ARG 971 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3kck s TYR 972 N -2.89 3.38 -0.24 -1.55 2.02 -1.05 -1.40 117.35 115.63 3kck s TYR 972 Ca 0.17 0.35 -0.05 0.00 -0.37 0.00 0.00 57.07 57.17 3kck s TYR 972 Cb -0.07 -1.89 -0.01 0.00 -0.40 0.00 0.00 41.96 39.59 3kck s TYR 972 CO 0.21 0.57 -0.00 0.42 -1.57 0.00 0.00 175.55 175.18 3kck s ILE 973 N -0.83 3.60 0.08 2.71 -1.09 0.12 -4.41 121.20 121.38 3kck s ILE 973 Ca 0.13 -0.53 -0.18 0.00 -2.23 0.00 0.00 60.65 57.85 3kck s ILE 973 Cb -0.12 -2.71 -0.09 0.00 -1.58 0.00 0.00 42.46 37.96 3kck s ILE 973 CO 0.03 0.32 1.46 -0.74 -1.23 0.00 0.00 174.94 174.77 3kck h HIS 974 N 8.15 0.59 0.00 3.97 2.76 -1.89 0.27 115.15 129.00 3kck h HIS 974 Ca -0.38 -0.14 0.00 0.00 -2.20 0.00 0.00 60.37 57.65 3kck h HIS 974 Cb 1.15 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.97 3kck h HIS 974 CO 0.61 0.76 0.00 0.54 -1.30 0.00 0.00 177.93 178.54 3kck n ARG 975 N -4.50 0.00 -1.62 5.26 1.74 -1.26 -3.52 116.66 112.76 3kck n ARG 975 Ca -0.04 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.05 3kck n ARG 975 Cb 0.33 -2.23 0.07 0.00 -1.02 0.00 0.00 32.46 29.62 3kck n ARG 975 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3kck n ASP 976 N 0.00 1.64 -4.64 0.55 2.03 -1.26 -4.94 116.55 109.93 3kck n ASP 976 Ca 0.00 -2.59 -0.42 0.00 0.52 0.00 0.00 54.79 52.29 3kck n ASP 976 Cb 0.00 -0.39 -0.03 0.00 -0.72 0.00 0.00 41.12 39.98 3kck n ASP 976 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3kck s LEU 977 N -1.83 4.10 0.19 -2.67 1.43 -1.26 -4.81 118.68 113.82 3kck s LEU 977 Ca 0.35 2.20 -0.17 0.00 -1.03 0.00 0.00 54.13 55.47 3kck s LEU 977 Cb 0.37 -3.53 0.03 0.00 0.03 0.00 0.00 46.19 43.09 3kck s LEU 977 CO -0.10 -1.25 0.51 0.00 0.23 0.00 0.00 176.35 175.74 3kck s ALA 978 N 5.30 -0.93 0.47 4.21 0.00 -1.26 -4.76 121.76 124.79 3kck s ALA 978 Ca 0.84 -0.21 0.18 0.00 0.00 0.00 0.00 51.96 52.77 3kck s ALA 978 Cb -0.35 0.85 1.18 0.00 0.00 0.00 0.00 23.12 24.80 3kck s ALA 978 CO 0.35 -0.79 2.05 1.79 0.00 0.00 0.00 175.76 179.16 3kck h THR 979 N 2.21 0.97 0.00 0.00 1.35 -1.92 -1.13 112.91 114.38 3kck h THR 979 Ca -0.29 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 3kck h THR 979 Cb 1.26 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 3kck h THR 979 CO 0.38 0.13 0.00 -2.11 -0.25 0.00 0.00 175.52 173.67 3kck n ARG 980 N -4.21 0.09 -0.23 4.72 1.85 -1.26 -2.28 116.66 115.35 3kck n ARG 980 Ca -0.02 0.33 0.11 0.00 -1.00 0.00 0.00 57.85 57.26 3kck n ARG 980 Cb 0.20 -1.68 0.23 0.00 -1.05 0.00 0.00 32.46 30.16 3kck n ARG 980 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3kck n ASN 981 N -1.86 3.44 -4.67 2.89 3.02 -0.43 -4.78 115.26 112.87 3kck n ASN 981 Ca 0.03 -1.96 -0.33 0.00 -0.03 0.00 0.00 54.58 52.28 3kck n ASN 981 Cb 0.20 -0.30 -0.09 0.00 -0.61 0.00 0.00 39.78 38.97 3kck n ASN 981 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kck s ILE 982 N -1.23 4.15 0.12 2.41 1.01 -0.96 -1.59 121.20 125.10 3kck s ILE 982 Ca 0.38 -0.49 0.10 0.00 0.00 0.00 0.00 60.65 60.64 3kck s ILE 982 Cb 0.21 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 3kck s ILE 982 CO 0.29 0.47 -0.24 -0.76 0.00 0.00 0.00 174.94 174.70 3kck s LEU 983 N -1.29 2.45 -0.20 2.97 1.43 -0.25 -0.13 118.68 123.68 3kck s LEU 983 Ca 0.17 -0.66 -0.07 0.00 -1.03 0.00 0.00 54.13 52.54 3kck s LEU 983 Cb -0.11 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 3kck s LEU 983 CO 0.07 0.19 0.05 -0.69 0.23 0.00 0.00 176.35 176.20 3kck s VAL 984 N -1.07 4.56 -0.18 -1.59 1.01 0.31 -0.38 120.40 123.06 3kck s VAL 984 Ca 0.15 -0.11 -0.10 0.00 0.00 0.00 0.00 61.98 61.93 3kck s VAL 984 Cb -0.10 -3.07 -0.22 0.00 0.00 0.00 0.00 36.38 32.99 3kck s VAL 984 CO 0.07 0.43 0.16 1.21 0.00 0.00 0.00 175.10 176.97 3kck n GLU 985 N 3.91 0.68 -3.84 2.72 2.13 0.45 -2.75 120.64 123.93 3kck n GLU 985 Ca -0.16 0.32 -0.10 0.00 0.66 0.00 0.00 57.16 57.88 3kck n GLU 985 Cb 0.52 -1.67 0.02 0.00 0.27 0.00 0.00 31.44 30.58 3kck n GLU 985 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 3kck n ASN 986 N -3.76 -2.19 -0.33 4.31 0.23 -1.14 -4.21 115.26 108.17 3kck n ASN 986 Ca -0.37 -2.66 0.21 0.00 -0.53 0.00 0.00 54.58 51.23 3kck n ASN 986 Cb 0.93 3.69 0.46 0.00 -2.08 0.00 0.00 39.78 42.79 3kck n ASN 986 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3kck h GLU 987 N 0.00 0.45 -0.22 -3.83 5.08 -2.03 -2.67 114.58 111.36 3kck h GLU 987 Ca -0.33 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3kck h GLU 987 Cb 1.25 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3kck h GLU 987 CO 0.42 0.30 0.00 0.09 -1.00 0.00 0.00 179.01 178.82 3kck n ASN 988 N -4.72 3.20 -3.67 1.42 3.02 -1.26 -4.95 115.26 108.30 3kck n ASN 988 Ca 0.26 -1.99 -0.09 0.00 -0.03 0.00 0.00 54.58 52.73 3kck n ASN 988 Cb 0.83 -0.13 -0.10 0.00 -0.61 0.00 0.00 39.78 39.77 3kck n ASN 988 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3kck s ARG 989 N -1.74 0.35 0.22 3.52 3.52 -1.01 -5.01 118.95 118.80 3kck s ARG 989 Ca 0.34 0.92 0.08 0.00 -0.13 0.00 0.00 55.73 56.95 3kck s ARG 989 Cb 0.21 0.17 -0.04 0.00 -1.56 0.00 0.00 34.95 33.73 3kck s ARG 989 CO 0.31 -0.21 -0.01 0.14 -0.81 0.00 0.00 175.30 174.72 3kck s VAL 990 N 2.10 3.56 0.01 7.11 -7.23 -1.26 -0.42 120.40 124.28 3kck s VAL 990 Ca -0.05 -1.66 0.04 0.00 -1.81 0.00 0.00 61.98 58.50 3kck s VAL 990 Cb -0.10 -2.84 -0.01 0.00 0.56 0.00 0.00 36.38 33.98 3kck s VAL 990 CO -0.13 -0.23 -0.12 -0.54 -0.31 0.00 0.00 175.10 173.77 3kck s LYS 991 N -3.27 0.88 0.19 4.82 1.02 0.48 -4.53 119.74 119.33 3kck s LYS 991 Ca 0.29 -0.55 -0.30 0.00 0.02 0.00 0.00 55.97 55.43 3kck s LYS 991 Cb -0.08 -0.85 -0.08 0.00 -0.52 0.00 0.00 37.83 36.30 3kck s LYS 991 CO 0.19 0.22 1.21 0.42 -0.92 0.00 0.00 175.35 176.47 3kck s ILE 992 N -0.55 3.52 0.00 2.17 1.01 -0.50 -1.09 121.20 125.77 3kck s ILE 992 Ca 0.02 1.29 0.00 0.00 0.00 0.00 0.00 60.65 61.96 3kck s ILE 992 Cb -0.06 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.59 3kck s ILE 992 CO 0.00 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.76 3kck n GLY 993 N 2.17 5.20 2.32 6.18 0.00 -0.62 -1.60 105.19 118.83 3kck n GLY 993 Ca 0.04 -1.74 -0.17 0.00 0.00 0.00 0.00 46.02 44.15 3kck n GLY 993 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kck n ASP 994 N 0.00 -2.42 -0.82 1.61 2.03 -1.26 -4.92 116.55 110.77 3kck n ASP 994 Ca 0.00 -0.15 0.12 0.00 0.52 0.00 0.00 54.79 55.29 3kck n ASP 994 Cb 0.00 -0.72 0.28 0.00 -0.72 0.00 0.00 41.12 39.96 3kck n ASP 994 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3kck n PHE 995 N -0.34 0.18 0.28 -0.67 3.72 -1.26 -4.31 117.46 115.06 3kck n PHE 995 Ca -0.06 -0.09 0.10 0.00 -0.05 0.00 0.00 57.45 57.35 3kck n PHE 995 Cb 0.31 0.00 0.54 0.00 -0.94 0.00 0.00 39.48 39.39 3kck n PHE 995 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3kck h GLY 996 N 4.77 0.00 -0.78 1.37 0.00 -1.93 -1.79 103.07 104.71 3kck h GLY 996 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kck h GLY 996 CO 0.00 0.00 -0.03 1.04 0.00 0.00 0.00 176.54 177.55 3kck n LEU 997 N -2.54 1.77 -4.77 3.11 4.77 -1.26 -4.94 117.00 113.13 3kck n LEU 997 Ca -0.01 -0.96 -0.41 0.00 -0.03 0.00 0.00 56.01 54.59 3kck n LEU 997 Cb 0.46 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 3kck n LEU 997 CO 0.09 0.34 1.02 -0.89 -1.33 0.00 0.00 177.39 176.62 3kck s THR 998 N -0.94 2.61 0.15 -5.08 2.01 -0.67 -4.69 115.64 109.02 3kck s THR 998 Ca 0.12 0.60 0.10 0.00 0.31 0.00 0.00 61.69 62.81 3kck s THR 998 Cb 0.09 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 3kck s THR 998 CO 0.15 0.14 -0.22 -0.54 -0.69 0.00 0.00 174.62 173.45 3kck s LYS 999 N -1.65 1.33 -0.13 4.92 -0.14 0.08 -4.94 119.74 119.22 3kck s LYS 999 Ca 0.51 -1.37 -0.12 0.00 -1.36 0.00 0.00 55.97 53.63 3kck s LYS 999 Cb -0.41 -1.61 -0.05 0.00 -1.68 0.00 0.00 37.83 34.09 3kck s LYS 999 CO 0.53 0.36 0.27 0.08 -0.76 0.00 0.00 175.35 175.83 3kck s VAL 1000N -1.52 5.31 0.63 3.17 1.01 -1.26 0.12 120.40 127.85 3kck s VAL 1000Ca 0.14 0.50 -0.18 0.00 0.00 0.00 0.00 61.98 62.44 3kck s VAL 1000Cb -0.08 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 3kck s VAL 1000CO 0.07 0.48 1.26 0.18 0.00 0.00 0.00 175.10 177.08 3kck n LEU 1001N 2.91 5.68 -4.75 3.92 4.77 -0.49 -4.96 117.00 124.09 3kck n LEU 1001Ca -0.14 0.84 -0.30 0.00 -0.03 0.00 0.00 56.01 56.37 3kck n LEU 1001Cb 0.53 -1.54 0.11 0.00 -2.33 0.00 0.00 43.42 40.19 3kck n LEU 1001CO 0.37 -1.07 0.69 -2.16 -1.33 0.00 0.00 177.39 173.89 3kck s PRO 1002N -3.24 1.81 0.50 3.23 0.05 -1.26 -4.93 135.00 131.17 3kck s PRO 1002Ca 0.81 0.99 0.15 0.00 0.05 0.00 0.00 61.00 63.00 3kck s PRO 1002Cb -0.39 -1.86 1.22 0.00 0.05 0.00 0.00 34.50 33.52 3kck s PRO 1002CO 0.42 -1.90 2.13 0.37 0.05 0.00 0.00 177.00 178.06 3kck h GLN 1003N -1.31 0.08 -0.29 4.56 4.15 -2.02 -3.08 115.11 117.20 3kck h GLN 1003Ca -0.46 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.95 3kck h GLN 1003Cb 1.26 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.93 3kck h GLN 1003CO 0.53 0.05 0.00 -0.40 -1.93 0.00 0.00 178.83 177.08 3kck n ASP 1004N -4.52 2.80 -4.09 -0.69 3.85 -1.26 -5.01 116.55 107.62 3kck n ASP 1004Ca -0.01 -1.87 -0.13 0.00 -0.71 0.00 0.00 54.79 52.07 3kck n ASP 1004Cb 0.12 -0.19 -0.11 0.00 -1.35 0.00 0.00 41.12 39.58 3kck n ASP 1004CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3kck s LYS 1005N -1.03 0.61 -0.28 0.11 1.02 -1.16 -5.28 119.74 113.73 3kck s LYS 1005Ca 0.24 -0.87 0.12 0.00 0.02 0.00 0.00 55.97 55.48 3kck s LYS 1005Cb 0.13 -0.35 0.74 0.00 -0.52 0.00 0.00 37.83 37.84 3kck s LYS 1005CO 0.18 0.06 1.74 0.39 -0.92 0.00 0.00 175.35 176.79 3kck n GLU 1006N 1.22 4.01 -3.56 1.68 -0.58 -1.26 -4.41 120.64 117.73 3kck n GLU 1006Ca -0.21 -3.10 -0.01 0.00 -0.42 0.00 0.00 57.16 53.42 3kck n GLU 1006Cb 0.55 -2.18 -0.04 0.00 -0.57 0.00 0.00 31.44 29.20 3kck n GLU 1006CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3kck s LYS 1009N -2.91 0.48 -0.35 3.49 2.20 -1.26 -4.47 119.74 116.92 3kck s LYS 1009Ca 0.53 1.13 -0.24 0.00 -0.36 0.00 0.00 55.97 57.02 3kck s LYS 1009Cb 0.42 0.60 0.01 0.00 -1.51 0.00 0.00 37.83 37.35 3kck s LYS 1009CO 0.13 -0.15 0.85 0.08 -0.36 0.00 0.00 175.35 175.90 3kck s VAL 1010N 2.52 4.68 0.04 4.02 1.01 -0.40 -4.96 120.40 127.31 3kck s VAL 1010Ca -0.05 1.10 -0.21 0.00 0.00 0.00 0.00 61.98 62.82 3kck s VAL 1010Cb -0.09 -4.25 -0.15 0.00 0.00 0.00 0.00 36.38 31.90 3kck s VAL 1010CO -0.18 -0.43 1.35 0.11 0.00 0.00 0.00 175.10 175.95 3kck h LYS 1011N 8.38 0.31 -3.03 2.72 1.79 -1.96 -3.41 116.57 121.37 3kck h LYS 1011Ca -0.24 -0.15 -0.62 0.00 -2.18 0.00 0.00 60.65 57.46 3kck h LYS 1011Cb 1.09 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 31.33 3kck h LYS 1011CO 0.94 0.68 -0.66 -1.21 -1.08 0.00 0.00 179.45 178.12 3kck s GLU 1012N -4.39 1.97 0.30 3.15 2.02 -1.26 -5.09 118.70 115.40 3kck s GLU 1012Ca -0.14 -2.83 -0.30 0.00 0.02 0.00 0.00 54.97 51.73 3kck s GLU 1012Cb 0.05 -2.96 -0.11 0.00 0.10 0.00 0.00 34.13 31.21 3kck s GLU 1012CO 0.74 -1.24 1.51 -2.14 0.02 0.00 0.00 175.26 174.15 3kck s PRO 1013N -0.73 4.18 0.00 0.39 0.02 -1.26 -5.01 135.00 132.58 3kck s PRO 1013Ca 0.23 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.72 3kck s PRO 1013Cb -0.11 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.37 3kck s PRO 1013CO -0.11 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 176.45 3kck n GLY 1014N 1.81 0.71 3.67 0.52 0.00 -1.26 -5.01 105.19 105.62 3kck n GLY 1014Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3kck n GLY 1014CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kck s GLU 1015N 1.85 4.18 -0.08 1.61 -1.05 -1.26 -5.03 118.70 118.92 3kck s GLU 1015Ca 0.00 2.30 0.02 0.00 -0.15 0.00 0.00 54.97 57.14 3kck s GLU 1015Cb 0.00 -3.88 0.02 0.00 -0.44 0.00 0.00 34.13 29.82 3kck s GLU 1015CO 0.00 -0.82 -0.11 -1.12 0.95 0.00 0.00 175.26 174.16 3kck s SER 1016N 3.20 1.84 -1.30 0.83 0.01 -1.26 -5.06 113.70 111.95 3kck s SER 1016Ca 0.76 -0.29 -0.15 0.00 1.31 0.00 0.00 55.95 57.57 3kck s SER 1016Cb -0.37 -0.82 0.10 0.00 0.21 0.00 0.00 66.02 65.15 3kck s SER 1016CO 0.32 -0.01 1.75 -0.81 0.41 0.00 0.00 173.24 174.91 3kck n PRO 1017N 4.10 3.23 0.23 12.44 -0.04 -1.26 -4.80 135.00 148.89 3kck n PRO 1017Ca -0.21 -3.34 0.11 0.00 -0.04 0.00 0.00 63.50 60.02 3kck n PRO 1017Cb 0.51 -3.30 0.69 0.00 -0.04 0.00 0.00 33.50 31.37 3kck n PRO 1017CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 3kck h ILE 1018N 4.92 0.88 0.00 0.52 3.07 -1.97 -1.15 117.51 123.78 3kck h ILE 1018Ca 0.43 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.84 3kck h ILE 1018Cb 0.81 0.96 0.00 0.00 -0.27 0.00 0.00 36.82 38.32 3kck h ILE 1018CO 1.49 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 179.08 3kck n PHE 1019N -4.39 0.00 0.18 0.16 3.01 -1.26 -2.14 117.46 113.02 3kck n PHE 1019Ca -0.01 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.47 3kck n PHE 1019Cb 0.17 -0.06 -0.00 0.00 -0.01 0.00 0.00 39.48 39.58 3kck n PHE 1019CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 3kck n TRP 1020N -1.06 0.00 -2.96 1.38 8.01 -0.44 -4.85 117.44 117.51 3kck n TRP 1020Ca 0.18 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.98 3kck n TRP 1020Cb 0.11 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.35 3kck n TRP 1020CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 3kck s TYR 1021N -0.85 3.82 0.61 -5.99 1.51 -0.91 -3.94 117.35 111.60 3kck s TYR 1021Ca 0.03 1.62 -0.18 0.00 -1.01 0.00 0.00 57.07 57.54 3kck s TYR 1021Cb 0.03 -2.77 -0.03 0.00 -0.11 0.00 0.00 41.96 39.08 3kck s TYR 1021CO 0.10 0.42 1.17 0.00 -1.11 0.00 0.00 175.55 176.14 3kck s ALA 1022N -1.31 2.52 0.27 3.71 0.00 -1.26 -4.86 121.76 120.83 3kck s ALA 1022Ca 0.40 0.86 -0.00 0.00 0.00 0.00 0.00 51.96 53.22 3kck s ALA 1022Cb -0.21 -3.40 0.51 0.00 0.00 0.00 0.00 23.12 20.02 3kck s ALA 1022CO 0.25 -1.16 1.83 -1.35 0.00 0.00 0.00 175.76 175.33 3kck h PRO 1023N 0.68 0.94 0.00 0.00 0.11 -1.95 -0.23 132.00 131.55 3kck h PRO 1023Ca -0.49 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.51 3kck h PRO 1023Cb 1.28 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3kck h PRO 1023CO 0.55 0.62 -0.23 1.05 -0.21 0.00 0.00 178.00 179.78 3kck h GLU 1024N 0.97 0.00 -0.20 1.05 9.09 -1.92 0.35 114.58 123.92 3kck h GLU 1024Ca 0.47 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.67 3kck h GLU 1024Cb 0.44 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.55 3kck h GLU 1024CO -0.26 0.23 -0.70 0.77 0.05 0.00 0.00 179.01 179.11 3kck h SER 1025N 0.00 0.96 -0.38 3.06 0.02 -1.07 0.87 113.55 117.01 3kck h SER 1025Ca -0.00 -0.60 -0.03 0.00 -0.84 0.00 0.00 61.79 60.32 3kck h SER 1025Cb 0.84 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 3kck h SER 1025CO 0.03 1.39 0.12 -0.07 -1.14 0.00 0.00 176.83 177.16 3kck h LEU 1026N 0.58 0.56 0.10 5.07 3.38 -0.50 -0.85 115.31 123.64 3kck h LEU 1026Ca -0.03 -0.20 -0.31 0.00 0.09 0.00 0.00 57.88 57.43 3kck h LEU 1026Cb 1.32 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 3kck h LEU 1026CO 0.15 0.61 -1.59 0.71 0.09 0.00 0.00 178.44 178.40 3kck h THR 1027N 0.47 1.06 0.00 0.22 1.35 -0.35 -3.40 112.91 112.27 3kck h THR 1027Ca 0.12 -2.75 0.00 0.00 -0.55 0.00 0.00 66.41 63.24 3kck h THR 1027Cb 0.25 2.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.36 3kck h THR 1027CO -0.00 0.79 0.00 -0.62 -0.25 0.00 0.00 175.52 175.43 3kck n GLU 1028N -3.40 1.17 -2.45 4.72 1.02 0.20 -5.00 120.64 116.90 3kck n GLU 1028Ca -0.18 -0.16 -0.12 0.00 -0.02 0.00 0.00 57.16 56.68 3kck n GLU 1028Cb 1.04 -0.57 0.01 0.00 -0.02 0.00 0.00 31.44 31.90 3kck n GLU 1028CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3kck n SER 1029N -0.21 -4.00 -4.73 1.62 2.88 -0.32 -4.76 113.62 104.09 3kck n SER 1029Ca 0.00 -0.09 -0.36 0.00 -1.33 0.00 0.00 58.87 57.09 3kck n SER 1029Cb 0.07 -3.06 -0.07 0.00 -0.75 0.00 0.00 64.21 60.40 3kck n SER 1029CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3kck s LYS 1030N -4.89 4.24 -0.02 -1.46 1.02 -1.08 -1.28 119.74 116.28 3kck s LYS 1030Ca 0.08 0.09 0.06 0.00 0.02 0.00 0.00 55.97 56.22 3kck s LYS 1030Cb -0.04 -3.42 -0.01 0.00 -0.52 0.00 0.00 37.83 33.84 3kck s LYS 1030CO 0.10 0.26 -0.19 -0.06 -0.92 0.00 0.00 175.35 174.54 3kck s PHE 1031N 0.42 1.68 0.39 3.18 0.40 -1.26 -3.30 117.98 119.49 3kck s PHE 1031Ca 0.16 -0.33 -0.14 0.00 -0.60 0.00 0.00 56.93 56.02 3kck s PHE 1031Cb -0.13 -1.09 0.05 0.00 0.51 0.00 0.00 43.02 42.37 3kck s PHE 1031CO 0.04 -0.04 0.76 -1.54 0.70 0.00 0.00 175.22 175.14 3kck s SER 1032N -0.40 0.11 0.27 1.36 1.04 -1.26 -4.75 113.70 110.07 3kck s SER 1032Ca 0.06 -1.20 0.01 0.00 0.48 0.00 0.00 55.95 55.30 3kck s SER 1032Cb -0.08 0.84 0.62 0.00 0.10 0.00 0.00 66.02 67.50 3kck s SER 1032CO -0.00 -1.67 1.73 0.58 0.98 0.00 0.00 173.24 174.86 3kck h VAL 1033N 2.01 0.62 -0.47 5.02 2.07 -1.91 -1.56 116.25 122.03 3kck h VAL 1033Ca -0.32 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 66.93 3kck h VAL 1033Cb 1.25 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3kck h VAL 1033CO 0.41 0.10 -0.08 0.00 0.02 0.00 0.00 177.57 178.01 3kck h ALA 1034N 1.62 0.97 -0.49 1.67 0.00 -1.92 0.12 119.26 121.24 3kck h ALA 1034Ca 0.50 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 3kck h ALA 1034Cb 0.83 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3kck h ALA 1034CO -0.44 0.61 -0.11 0.66 0.00 0.00 0.00 179.25 179.98 3kck h SER 1035N 0.76 0.89 -0.55 0.00 4.64 -1.81 -0.70 113.55 116.79 3kck h SER 1035Ca 0.13 -0.28 0.03 0.00 -0.47 0.00 0.00 61.79 61.20 3kck h SER 1035Cb 0.58 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.38 3kck h SER 1035CO 0.04 1.01 0.31 0.44 -0.87 0.00 0.00 176.83 177.76 3kck h ASP 1036N 0.80 0.49 -0.67 4.97 3.32 -0.82 -1.84 116.42 122.67 3kck h ASP 1036Ca 0.13 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.22 3kck h ASP 1036Cb 0.63 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.05 3kck h ASP 1036CO 0.04 0.34 0.42 0.58 -1.72 0.00 0.00 179.24 178.90 3kck h VAL 1037N 0.61 1.09 -0.31 -1.35 2.07 -0.54 0.87 116.25 118.69 3kck h VAL 1037Ca 0.23 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 67.51 3kck h VAL 1037Cb 0.07 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 29.99 3kck h VAL 1037CO -0.12 0.15 0.05 -0.25 0.02 0.00 0.00 177.57 177.42 3kck h TRP 1038N 0.82 0.09 -0.89 1.57 2.91 -0.71 -0.90 115.95 118.84 3kck h TRP 1038Ca 0.27 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.32 3kck h TRP 1038Cb 0.02 0.01 -0.04 0.00 -0.51 0.00 0.00 29.16 28.63 3kck h TRP 1038CO -0.05 0.01 0.57 0.77 -1.03 0.00 0.00 178.44 178.72 3kck h SER 1039N 0.16 1.03 -0.86 2.65 0.02 -1.12 -1.43 113.55 114.00 3kck h SER 1039Ca 0.14 -0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.12 3kck h SER 1039Cb 0.16 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 62.38 3kck h SER 1039CO -0.20 0.76 0.53 0.15 -1.14 0.00 0.00 176.83 176.94 3kck h PHE 1040N 1.21 0.99 -0.94 3.45 3.57 -0.03 -0.04 116.94 125.14 3kck h PHE 1040Ca 0.32 0.03 0.22 0.00 3.53 0.00 0.00 57.97 62.07 3kck h PHE 1040Cb -0.12 -0.32 -0.12 0.00 2.79 0.00 0.00 35.95 38.18 3kck h PHE 1040CO -0.01 0.50 0.49 0.78 -2.23 0.00 0.00 178.31 177.84 3kck h GLY 1041N 0.97 1.68 1.00 2.40 0.00 -0.08 -1.28 103.07 107.76 3kck h GLY 1041Ca 0.37 -0.24 -0.13 0.00 0.00 0.00 0.00 47.33 47.33 3kck h GLY 1041CO -0.17 -0.23 -0.33 -2.08 0.00 0.00 0.00 176.54 173.73 3kck h VAL 1042N 0.51 1.30 -0.65 4.60 2.07 -0.84 -2.12 116.25 121.12 3kck h VAL 1042Ca 0.59 -1.51 0.11 0.00 0.82 0.00 0.00 66.70 66.71 3kck h VAL 1042Cb 1.08 1.60 -0.08 0.00 -1.52 0.00 0.00 31.29 32.37 3kck h VAL 1042CO -0.49 0.48 0.22 0.58 0.02 0.00 0.00 177.57 178.39 3kck h VAL 1043N 0.48 0.69 -0.50 2.57 2.07 -0.38 0.50 116.25 121.67 3kck h VAL 1043Ca 0.04 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 3kck h VAL 1043Cb 0.91 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3kck h VAL 1043CO 0.08 0.07 0.13 0.25 0.02 0.00 0.00 177.57 178.12 3kck h LEU 1044N 0.37 0.75 -0.14 2.57 5.85 -1.11 -0.54 115.31 123.08 3kck h LEU 1044Ca 0.34 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.86 3kck h LEU 1044Cb 0.48 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 3kck h LEU 1044CO -0.37 0.78 -0.45 0.22 -0.34 0.00 0.00 178.44 178.29 3kck h TYR 1045N 0.69 -1.34 -0.92 1.25 3.20 -1.03 -1.86 116.97 116.96 3kck h TYR 1045Ca 0.16 0.05 0.20 0.00 3.14 0.00 0.00 58.73 62.28 3kck h TYR 1045Cb 0.32 0.60 -0.17 0.00 1.54 0.00 0.00 36.73 39.02 3kck h TYR 1045CO 0.02 -0.44 -0.18 0.93 -1.64 0.00 0.00 178.16 176.85 3kck h GLU 1046N -0.46 0.01 -0.44 1.82 5.08 -0.60 0.97 114.58 120.96 3kck h GLU 1046Ca 0.03 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3kck h GLU 1046Cb 0.55 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 3kck h GLU 1046CO -0.37 0.00 0.29 -0.07 -1.00 0.00 0.00 179.01 177.86 3kck h LEU 1047N 0.01 0.51 -0.01 1.33 3.38 -0.88 -2.58 115.31 117.07 3kck h LEU 1047Ca 0.46 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.42 3kck h LEU 1047Cb 0.76 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3kck h LEU 1047CO -0.93 0.37 -0.02 0.49 0.09 0.00 0.00 178.44 178.43 3kck n PHE 1048N -4.78 0.00 1.25 1.13 3.01 0.18 -2.02 117.46 116.24 3kck n PHE 1048Ca 0.01 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.60 3kck n PHE 1048Cb 0.02 -0.41 0.32 0.00 -0.01 0.00 0.00 39.48 39.40 3kck n PHE 1048CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3kck n THR 1049N -1.41 0.00 -2.23 4.37 -2.24 -0.26 -4.71 114.28 107.80 3kck n THR 1049Ca 0.10 -0.30 -0.15 0.00 -2.27 0.00 0.00 64.05 61.43 3kck n THR 1049Cb 0.31 0.85 -0.02 0.00 -2.10 0.00 0.00 70.33 69.37 3kck n THR 1049CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3kck n TYR 1050N 0.33 -1.10 -2.43 4.78 4.02 -0.85 -1.72 117.16 120.19 3kck n TYR 1050Ca 0.15 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.84 3kck n TYR 1050Cb 0.44 -3.04 -0.01 0.00 -0.02 0.00 0.00 39.34 36.71 3kck n TYR 1050CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3kck n ILE 1051N -3.25 -1.01 -1.67 -0.72 5.41 -1.15 -4.43 119.36 112.54 3kck n ILE 1051Ca -0.17 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.15 3kck n ILE 1051Cb 0.60 -2.94 -0.03 0.00 -0.71 0.00 0.00 39.64 36.57 3kck n ILE 1051CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3kck n GLU 1052N -3.05 2.77 -0.21 0.38 2.13 -0.70 -4.89 120.64 117.08 3kck n GLU 1052Ca -0.24 1.01 -0.02 0.00 0.66 0.00 0.00 57.16 58.58 3kck n GLU 1052Cb 0.68 -2.93 0.09 0.00 0.27 0.00 0.00 31.44 29.55 3kck n GLU 1052CO 0.00 0.00 0.00 1.57 -0.41 0.00 0.00 177.13 178.29 3kck h LYS 1053N 9.70 0.53 0.00 5.31 2.10 -1.93 -0.31 116.57 131.97 3kck h LYS 1053Ca -0.49 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 3kck h LYS 1053Cb 1.24 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 3kck h LYS 1053CO 0.94 0.35 0.00 -1.13 -2.00 0.00 0.00 179.45 177.61 3kck n SER 1054N -4.88 0.00 -0.72 7.07 3.41 -1.26 -1.95 113.62 115.29 3kck n SER 1054Ca 0.08 0.23 0.09 0.00 -0.26 0.00 0.00 58.87 59.01 3kck n SER 1054Cb 0.20 -0.38 0.07 0.00 -0.26 0.00 0.00 64.21 63.84 3kck n SER 1054CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kck n LYS 1055N -1.38 1.64 -0.98 4.33 4.76 -0.15 -4.50 118.16 121.90 3kck n LYS 1055Ca 0.07 -1.54 -0.30 0.00 -2.87 0.00 0.00 58.31 53.67 3kck n LYS 1055Cb 0.17 -1.36 0.15 0.00 -1.84 0.00 0.00 35.03 32.14 3kck n LYS 1055CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3kck s SER 1056N -1.66 3.20 0.11 4.39 1.04 -0.82 -4.72 113.70 115.23 3kck s SER 1056Ca 0.21 1.77 -0.24 0.00 0.48 0.00 0.00 55.95 58.18 3kck s SER 1056Cb 0.16 -2.39 -0.07 0.00 0.10 0.00 0.00 66.02 63.82 3kck s SER 1056CO 0.27 -2.86 1.68 -0.65 0.98 0.00 0.00 173.24 172.66 3kck h PRO 1057N -1.70 -0.22 -0.67 4.02 0.11 -1.92 -1.89 132.00 129.73 3kck h PRO 1057Ca -0.48 0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.76 3kck h PRO 1057Cb 1.27 0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.35 3kck h PRO 1057CO 0.49 -0.14 0.25 -1.35 -0.21 0.00 0.00 178.00 177.04 3kck h PRO 1058N -0.22 0.40 0.40 1.05 0.11 -1.93 -1.38 132.00 130.43 3kck h PRO 1058Ca 0.05 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 3kck h PRO 1058Cb 0.29 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 3kck h PRO 1058CO -0.14 0.26 -0.42 0.00 -0.21 0.00 0.00 178.00 177.49 3kck h ALA 1059N 1.48 -0.91 0.17 -0.75 0.00 -1.76 0.30 119.26 117.78 3kck h ALA 1059Ca 0.35 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3kck h ALA 1059Cb 0.49 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 3kck h ALA 1059CO -0.36 -1.05 -0.26 0.93 0.00 0.00 0.00 179.25 178.51 3kck h GLU 1060N -0.84 -0.48 -0.98 0.00 4.39 -1.22 -1.09 114.58 114.36 3kck h GLU 1060Ca -0.04 0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.73 3kck h GLU 1060Cb 0.75 0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 29.45 3kck h GLU 1060CO -0.08 -0.32 0.64 0.74 -1.16 0.00 0.00 179.01 178.84 3kck h PHE 1061N -0.49 1.20 -0.35 4.33 0.04 -1.25 0.16 116.94 120.57 3kck h PHE 1061Ca 0.02 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 3kck h PHE 1061Cb 0.50 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 3kck h PHE 1061CO -0.21 0.70 0.08 0.52 -0.60 0.00 0.00 178.31 178.79 3kck h MET 1062N 1.24 0.57 -0.72 1.51 2.86 -0.59 0.44 114.93 120.25 3kck h MET 1062Ca 0.39 -0.14 0.11 0.00 -2.06 0.00 0.00 59.70 57.99 3kck h MET 1062Cb -0.00 -0.07 -0.08 0.00 0.06 0.00 0.00 31.60 31.51 3kck h MET 1062CO -0.12 0.63 0.34 -0.09 1.06 0.00 0.00 176.91 178.73 3kck h ARG 1063N 0.42 0.55 -0.49 1.72 2.43 -0.83 0.19 114.38 118.36 3kck h ARG 1063Ca 0.11 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 3kck h ARG 1063Cb 0.32 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 3kck h ARG 1063CO 0.00 0.36 0.06 0.52 -1.51 0.00 0.00 179.97 179.40 3kck h MET 1064N 0.56 0.83 0.00 0.20 2.86 -0.20 -2.88 114.93 116.31 3kck h MET 1064Ca 0.37 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3kck h MET 1064Cb 0.43 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.00 3kck h MET 1064CO -0.30 0.84 -0.06 0.44 1.06 0.00 0.00 176.91 178.89 3kck n ILE 1065N -4.39 0.43 -0.05 -1.22 -5.35 0.15 -5.03 119.36 103.91 3kck n ILE 1065Ca 0.01 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 3kck n ILE 1065Cb 0.27 -0.51 0.00 0.00 -1.74 0.00 0.00 39.64 37.66 3kck n ILE 1065CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kck n GLY 1066N 1.36 0.48 0.00 3.28 0.00 0.64 -4.82 105.19 106.12 3kck n GLY 1066Ca 0.06 -1.22 0.05 0.00 0.00 0.00 0.00 46.02 44.92 3kck n GLY 1066CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kck n ASN 1067N -0.06 0.00 -0.05 1.61 4.13 -1.17 -2.33 115.26 117.39 3kck n ASN 1067Ca 0.00 0.25 0.13 0.00 1.68 0.00 0.00 54.58 56.63 3kck n ASN 1067Cb 0.00 -0.35 0.39 0.00 -1.54 0.00 0.00 39.78 38.27 3kck n ASN 1067CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3kck n ASP 1068N -1.35 0.48 -4.73 6.41 5.75 -1.26 -4.86 116.55 116.98 3kck n ASP 1068Ca 0.04 -0.24 -0.41 0.00 -0.01 0.00 0.00 54.79 54.17 3kck n ASP 1068Cb 0.10 0.05 -0.03 0.00 -1.03 0.00 0.00 41.12 40.20 3kck n ASP 1068CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3kck s LYS 1069N -2.86 4.47 0.09 0.11 -0.14 -0.98 -5.05 119.74 115.38 3kck s LYS 1069Ca 0.16 1.85 0.05 0.00 -1.36 0.00 0.00 55.97 56.66 3kck s LYS 1069Cb 0.18 -3.28 -0.03 0.00 -1.68 0.00 0.00 37.83 33.02 3kck s LYS 1069CO 0.61 -0.15 -0.12 -0.65 -0.76 0.00 0.00 175.35 174.28 3kck s GLN 1070N 0.24 0.88 3.37 1.68 -0.21 -1.26 -4.74 119.66 119.61 3kck s GLN 1070Ca 0.55 -1.11 0.00 0.00 0.02 0.00 0.00 55.36 54.83 3kck s GLN 1070Cb -0.32 -0.72 0.00 0.00 1.00 0.00 0.00 33.01 32.98 3kck s GLN 1070CO 0.34 0.14 0.00 0.41 -2.12 0.00 0.00 175.29 174.05 3kck n GLY 1071N 0.80 2.55 0.33 3.09 0.00 -1.26 -2.31 105.19 108.38 3kck n GLY 1071Ca -0.18 -0.19 0.16 0.00 0.00 0.00 0.00 46.02 45.81 3kck n GLY 1071CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3kck h GLN 1072N 0.00 0.00 0.00 1.61 3.07 -2.02 -0.86 115.11 116.91 3kck h GLN 1072Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 3kck h GLN 1072Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.56 3kck h GLN 1072CO 0.00 0.00 -0.10 0.52 0.09 0.00 0.00 178.83 179.34 3kck h MET 1073N 0.00 0.00 -0.13 0.06 2.86 -1.86 -1.91 114.93 113.95 3kck h MET 1073Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3kck h MET 1073Cb 0.41 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 3kck h MET 1073CO -0.00 0.10 0.08 0.82 1.06 0.00 0.00 176.91 178.96 3kck h ILE 1074N 0.00 1.05 -0.51 -1.22 2.04 -1.24 -1.95 117.51 115.69 3kck h ILE 1074Ca -0.00 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.76 3kck h ILE 1074Cb 0.28 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 3kck h ILE 1074CO 0.01 0.05 0.32 0.58 0.00 0.00 0.00 178.15 179.11 3kck h VAL 1075N 0.15 1.10 -0.69 1.67 2.07 -1.48 0.18 116.25 119.25 3kck h VAL 1075Ca 0.05 -0.22 0.07 0.00 0.82 0.00 0.00 66.70 67.41 3kck h VAL 1075Cb 0.01 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 30.11 3kck h VAL 1075CO -0.01 0.12 0.37 0.15 0.02 0.00 0.00 177.57 178.22 3kck h PHE 1076N 0.65 0.67 0.07 1.57 3.04 -1.40 -1.16 116.94 120.39 3kck h PHE 1076Ca 0.19 0.03 -0.19 0.00 3.98 0.00 0.00 57.97 61.98 3kck h PHE 1076Cb -0.04 -0.20 0.02 0.00 2.56 0.00 0.00 35.95 38.29 3kck h PHE 1076CO -0.05 0.30 -0.79 0.45 -2.02 0.00 0.00 178.31 176.19 3kck h HIS 1077N 0.67 0.66 -0.68 0.41 3.86 -0.68 -3.01 115.15 116.37 3kck h HIS 1077Ca 0.32 -0.41 0.12 0.00 -1.16 0.00 0.00 60.37 59.24 3kck h HIS 1077Cb 0.25 -0.05 -0.09 0.00 1.06 0.00 0.00 27.41 28.58 3kck h HIS 1077CO -0.09 1.27 0.23 1.25 0.86 0.00 0.00 177.93 181.45 3kck h LEU 1078N -0.14 0.19 0.07 2.43 5.85 -0.64 -0.42 115.31 122.65 3kck h LEU 1078Ca -0.12 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3kck h LEU 1078Cb 1.54 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.66 3kck h LEU 1078CO 0.15 0.09 -0.07 0.40 -0.34 0.00 0.00 178.44 178.67 3kck h ILE 1079N 0.38 0.84 -0.85 4.05 2.04 -1.19 -0.51 117.51 122.27 3kck h ILE 1079Ca 0.36 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.20 3kck h ILE 1079Cb 0.52 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 3kck h ILE 1079CO -0.38 0.00 0.45 -0.33 0.00 0.00 0.00 178.15 177.89 3kck h GLU 1080N -0.15 1.19 0.46 2.37 4.39 -1.39 0.15 114.58 121.60 3kck h GLU 1080Ca 0.01 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.54 3kck h GLU 1080Cb 0.15 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 3kck h GLU 1080CO -0.02 0.88 -0.24 1.25 -1.16 0.00 0.00 179.01 179.72 3kck h LEU 1081N 1.19 -0.58 -0.51 1.33 5.85 -0.81 -2.12 115.31 119.67 3kck h LEU 1081Ca 0.30 0.02 0.09 0.00 0.84 0.00 0.00 57.88 59.13 3kck h LEU 1081Cb 0.05 0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 3kck h LEU 1081CO -0.05 -0.40 0.10 -0.07 -0.34 0.00 0.00 178.44 177.69 3kck h LEU 1082N -0.65 0.00 -1.69 2.25 3.38 -0.94 -0.77 115.31 116.90 3kck h LEU 1082Ca -0.06 0.09 0.19 0.00 0.09 0.00 0.00 57.88 58.19 3kck h LEU 1082Cb 0.51 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 3kck h LEU 1082CO 0.09 0.03 0.54 0.11 0.09 0.00 0.00 178.44 179.30 3kck h LYS 1083N 0.24 0.27 -0.60 1.13 1.57 -0.80 -2.23 116.57 116.15 3kck h LYS 1083Ca 0.26 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3kck h LYS 1083Cb 0.35 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3kck h LYS 1083CO -0.33 0.18 0.00 0.09 -0.57 0.00 0.00 179.45 178.82 3kck n ASN 1084N -4.44 4.47 -0.44 0.86 4.13 -0.67 -4.95 115.26 114.23 3kck n ASN 1084Ca 0.16 -2.42 -0.05 0.00 1.68 0.00 0.00 54.58 53.96 3kck n ASN 1084Cb 0.67 -0.54 -0.01 0.00 -1.54 0.00 0.00 39.78 38.36 3kck n ASN 1084CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3kck n ASN 1085N 0.98 -3.01 -4.76 6.41 5.03 -0.72 -5.03 115.26 114.16 3kck n ASN 1085Ca 0.24 0.07 -0.41 0.00 0.87 0.00 0.00 54.58 55.35 3kck n ASN 1085Cb 0.83 -1.51 -0.02 0.00 -1.02 0.00 0.00 39.78 38.06 3kck n ASN 1085CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3kck s GLY 1086N -2.88 2.82 0.14 7.41 0.00 -0.38 -5.00 107.32 109.43 3kck s GLY 1086Ca 0.00 1.32 -0.07 0.00 0.00 0.00 0.00 44.72 45.97 3kck s GLY 1086CO 0.00 2.05 0.22 0.50 0.00 0.00 0.00 173.10 175.87 3kck s ARG 1087N -1.47 1.04 0.44 2.90 1.81 -1.26 -4.39 118.95 118.02 3kck s ARG 1087Ca 0.52 -1.17 -0.25 0.00 -1.72 0.00 0.00 55.73 53.11 3kck s ARG 1087Cb -0.41 0.34 -0.08 0.00 -0.45 0.00 0.00 34.95 34.35 3kck s ARG 1087CO 0.52 -0.36 1.30 -0.51 -0.68 0.00 0.00 175.30 175.57 3kck s LEU 1088N -2.96 4.12 0.89 2.53 1.43 -1.26 -5.03 118.68 118.41 3kck s LEU 1088Ca 0.15 2.64 -0.13 0.00 -1.03 0.00 0.00 54.13 55.76 3kck s LEU 1088Cb 0.04 -4.01 0.13 0.00 0.03 0.00 0.00 46.19 42.38 3kck s LEU 1088CO -0.02 -0.99 1.17 -2.16 0.23 0.00 0.00 176.35 174.58 3kck s PRO 1089N -2.42 1.31 -0.04 1.29 0.04 -1.26 -4.99 135.00 128.93 3kck s PRO 1089Ca 0.60 0.12 -0.30 0.00 0.04 0.00 0.00 61.00 61.47 3kck s PRO 1089Cb -0.37 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 3kck s PRO 1089CO 0.47 -2.05 1.30 0.50 0.04 0.00 0.00 177.00 177.27 3kck s ARG 1090N -5.47 4.31 0.60 4.56 3.52 -1.26 -5.00 118.95 120.20 3kck s ARG 1090Ca 0.65 1.81 -0.17 0.00 -0.13 0.00 0.00 55.73 57.89 3kck s ARG 1090Cb -0.12 -3.59 -0.03 0.00 -1.56 0.00 0.00 34.95 29.65 3kck s ARG 1090CO 0.52 -0.54 1.10 -2.14 -0.81 0.00 0.00 175.30 173.43 3kck s PRO 1091N 2.46 3.16 0.05 5.12 0.02 -1.26 -4.90 135.00 139.64 3kck s PRO 1091Ca 0.60 1.42 -0.35 0.00 0.02 0.00 0.00 61.00 62.69 3kck s PRO 1091Cb -0.27 -2.00 -0.14 0.00 0.02 0.00 0.00 34.50 32.11 3kck s PRO 1091CO 0.23 -0.97 1.58 -3.47 -0.33 0.00 0.00 177.00 174.04 3kck n ASP 1092N -1.87 2.67 0.00 2.53 2.03 -1.26 -1.28 116.55 119.36 3kck n ASP 1092Ca 0.10 1.07 0.00 0.00 0.52 0.00 0.00 54.79 56.49 3kck n ASP 1092Cb 0.52 -1.32 0.00 0.00 -0.72 0.00 0.00 41.12 39.60 3kck n ASP 1092CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kck n GLY 1093N 3.41 1.71 3.69 0.27 0.00 -1.26 -4.94 105.19 108.07 3kck n GLY 1093Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3kck n GLY 1093CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kck n PRO 1095N 5.21 1.34 0.20 0.00 -0.02 -1.26 -4.85 135.00 135.62 3kck n PRO 1095Ca 0.13 0.47 0.04 0.00 -2.02 0.00 0.00 63.50 62.13 3kck n PRO 1095Cb 0.44 -1.93 0.43 0.00 -0.02 0.00 0.00 33.50 32.41 3kck n PRO 1095CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 3kck h ASP 1096N 2.85 0.00 0.85 2.55 2.03 -2.00 -2.15 116.42 120.55 3kck h ASP 1096Ca -0.42 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.87 3kck h ASP 1096Cb 1.33 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.83 3kck h ASP 1096CO 0.66 0.31 -0.09 1.05 -1.03 0.00 0.00 179.24 180.14 3kck h GLU 1097N 0.00 0.00 0.21 4.15 9.09 -2.00 -1.88 114.58 124.15 3kck h GLU 1097Ca -0.00 0.00 -0.31 0.00 0.05 0.00 0.00 59.36 59.10 3kck h GLU 1097Cb 0.57 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.70 3kck h GLU 1097CO 0.04 0.09 -1.41 0.82 0.05 0.00 0.00 179.01 178.60 3kck h ILE 1098N 0.00 1.24 -0.87 -1.06 2.04 -1.77 -3.17 117.51 113.92 3kck h ILE 1098Ca -0.00 -2.61 0.12 0.00 1.00 0.00 0.00 64.86 63.36 3kck h ILE 1098Cb 0.54 3.00 -0.08 0.00 -0.74 0.00 0.00 36.82 39.53 3kck h ILE 1098CO 0.01 0.79 0.49 0.22 0.00 0.00 0.00 178.15 179.67 3kck h TYR 1099N 0.01 0.89 -0.43 1.37 3.20 -1.35 -2.05 116.97 118.61 3kck h TYR 1099Ca -0.26 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.71 3kck h TYR 1099Cb 2.03 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 39.98 3kck h TYR 1099CO 0.14 0.32 0.11 0.52 -1.64 0.00 0.00 178.16 177.60 3kck h MET 1100N 0.78 0.24 -0.33 1.82 2.86 -1.36 -1.68 114.93 117.27 3kck h MET 1100Ca 0.44 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 58.12 3kck h MET 1100Cb 0.48 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.03 3kck h MET 1100CO -0.29 0.16 0.02 0.82 1.06 0.00 0.00 176.91 178.68 3kck h ILE 1101N 0.25 0.78 -0.21 -1.22 2.04 -1.36 -0.56 117.51 117.23 3kck h ILE 1101Ca 0.21 -0.04 0.04 0.00 1.00 0.00 0.00 64.86 66.06 3kck h ILE 1101Cb 0.24 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 3kck h ILE 1101CO -0.25 0.02 -0.54 0.24 0.00 0.00 0.00 178.15 177.62 3kck h MET 1102N 0.12 -0.51 0.00 2.37 2.86 -1.04 0.24 114.93 118.97 3kck h MET 1102Ca 0.16 0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 3kck h MET 1102Cb 0.20 0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 3kck h MET 1102CO -0.25 -0.34 -0.06 1.79 1.06 0.00 0.00 176.91 179.11 3kck h THR 1103N -0.53 1.01 0.04 2.22 1.35 -0.87 -0.84 112.91 115.28 3kck h THR 1103Ca 0.05 -0.21 -0.23 0.00 -0.55 0.00 0.00 66.41 65.47 3kck h THR 1103Cb 0.66 1.12 -0.00 0.00 -1.73 0.00 0.00 68.15 68.19 3kck h THR 1103CO -0.48 0.06 -1.01 -0.08 -0.25 0.00 0.00 175.52 173.76 3kck h GLU 1104N 0.00 0.28 -0.69 4.72 4.81 -0.16 -2.95 114.58 120.59 3kck h GLU 1104Ca -0.00 -0.35 -0.03 0.00 -0.13 0.00 0.00 59.36 58.85 3kck h GLU 1104Cb 0.11 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 3kck h GLU 1104CO 0.01 1.08 0.31 0.00 -0.73 0.00 0.00 179.01 179.69 3kck n TRP 1106N -4.33 0.72 -2.88 0.00 8.01 -0.42 -4.23 117.44 114.30 3kck n TRP 1106Ca 0.06 -1.31 -0.41 0.00 -1.31 0.00 0.00 57.50 54.53 3kck n TRP 1106Cb 0.15 -0.65 -0.04 0.00 -2.01 0.00 0.00 31.31 28.76 3kck n TRP 1106CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.69 177.89 3kck s ASN 1107N 1.00 7.16 0.53 -0.99 3.84 -1.23 -4.95 114.94 120.31 3kck s ASN 1107Ca 0.14 1.41 0.20 0.00 0.21 0.00 0.00 52.86 54.82 3kck s ASN 1107Cb 0.11 -2.49 1.34 0.00 -0.55 0.00 0.00 41.25 39.66 3kck s ASN 1107CO 0.00 -0.21 2.09 0.78 -2.79 0.00 0.00 177.10 176.97 3kck h ASN 1108N 6.82 0.00 -2.98 -4.21 -0.26 -1.94 -3.38 115.58 109.64 3kck h ASN 1108Ca -0.40 0.00 -0.62 0.00 -0.56 0.00 0.00 56.30 54.72 3kck h ASN 1108Cb 1.20 0.00 -0.13 0.00 -1.06 0.00 0.00 38.32 38.33 3kck h ASN 1108CO 0.76 0.00 0.53 0.21 -1.06 0.00 0.00 177.43 177.87 3kck s ASN 1109N -6.68 6.26 0.27 5.81 3.84 -1.26 -4.92 114.94 118.26 3kck s ASN 1109Ca -0.05 -0.63 -0.01 0.00 0.21 0.00 0.00 52.86 52.38 3kck s ASN 1109Cb 0.18 -2.42 0.50 0.00 -0.55 0.00 0.00 41.25 38.96 3kck s ASN 1109CO 0.69 -1.30 1.82 -0.37 -2.79 0.00 0.00 177.10 175.15 3kck h VAL 1110N 5.99 0.89 0.00 -5.21 -1.51 -1.99 -0.64 116.25 113.78 3kck h VAL 1110Ca -0.27 -0.31 -0.02 0.00 -1.23 0.00 0.00 66.70 64.88 3kck h VAL 1110Cb 1.07 -0.07 -0.00 0.00 -2.13 0.00 0.00 31.29 30.16 3kck h VAL 1110CO 1.12 0.16 -0.07 0.78 -1.23 0.00 0.00 177.57 178.33 3kck h ASN 1111N 0.89 0.00 0.00 4.19 2.35 -1.94 -2.28 115.58 118.80 3kck h ASN 1111Ca 0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.21 3kck h ASN 1111Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 3kck h ASN 1111CO -0.27 0.07 -0.00 0.00 -1.65 0.00 0.00 177.43 175.58 3kck n GLN 1112N -3.52 1.30 -2.63 0.81 6.02 -0.25 -4.90 117.38 114.22 3kck n GLN 1112Ca -0.02 -0.45 -0.38 0.00 -0.01 0.00 0.00 57.00 56.14 3kck n GLN 1112Cb 0.20 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.92 3kck n GLN 1112CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3kck s ARG 1113N -2.01 4.56 1.05 -1.09 0.52 -0.86 -4.96 118.95 116.15 3kck s ARG 1113Ca 0.43 1.54 -0.14 0.00 -0.52 0.00 0.00 55.73 57.04 3kck s ARG 1113Cb 0.22 -2.95 0.21 0.00 0.52 0.00 0.00 34.95 32.95 3kck s ARG 1113CO 0.36 0.21 1.10 -1.25 0.02 0.00 0.00 175.30 175.73 3kck s PRO 1114N -1.80 0.04 0.38 3.54 0.04 -1.26 -5.04 135.00 130.90 3kck s PRO 1114Ca 0.48 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.90 3kck s PRO 1114Cb -0.25 -1.70 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 3kck s PRO 1114CO 0.31 -2.96 0.59 -1.54 0.04 0.00 0.00 177.00 173.44 3kck s SER 1115N -3.55 6.15 0.39 6.66 1.04 -1.26 -4.95 113.70 118.19 3kck s SER 1115Ca 0.67 0.40 0.18 0.00 0.48 0.00 0.00 55.95 57.67 3kck s SER 1115Cb -0.17 -1.87 0.80 0.00 0.10 0.00 0.00 66.02 64.88 3kck s SER 1115CO 0.57 -0.43 1.81 -0.26 0.98 0.00 0.00 173.24 175.91 3kck h PHE 1116N 0.63 0.00 -0.69 5.02 -1.00 -1.96 -1.58 116.94 117.36 3kck h PHE 1116Ca -0.48 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.23 3kck h PHE 1116Cb 1.23 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.76 3kck h PHE 1116CO 0.49 0.35 0.19 -0.09 -1.61 0.00 0.00 178.31 177.64 3kck h ARG 1117N 0.00 1.10 -0.12 1.51 2.43 -1.94 -1.46 114.38 115.89 3kck h ARG 1117Ca -0.00 -0.25 -0.19 0.00 -0.81 0.00 0.00 59.98 58.73 3kck h ARG 1117Cb 0.75 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3kck h ARG 1117CO 0.05 0.96 -0.70 -0.44 -1.51 0.00 0.00 179.97 178.33 3kck h ASP 1118N 1.03 0.63 -0.59 -3.80 3.45 -1.88 -2.48 116.42 112.78 3kck h ASP 1118Ca 0.22 -0.39 0.01 0.00 0.43 0.00 0.00 57.03 57.30 3kck h ASP 1118Cb 0.34 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 38.90 3kck h ASP 1118CO -0.00 1.14 0.38 -0.07 -1.57 0.00 0.00 179.24 179.12 3kck h LEU 1119N 0.38 0.66 -0.26 1.55 3.38 -1.09 0.15 115.31 120.07 3kck h LEU 1119Ca -0.03 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3kck h LEU 1119Cb 1.28 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 3kck h LEU 1119CO 0.13 0.47 -0.07 0.00 0.09 0.00 0.00 178.44 179.06 3kck h ALA 1120N 1.22 0.36 -0.65 1.53 0.00 -1.23 0.28 119.26 120.77 3kck h ALA 1120Ca 0.22 -0.28 0.13 0.00 0.00 0.00 0.00 54.91 54.99 3kck h ALA 1120Cb -0.07 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 17.52 3kck h ALA 1120CO -0.06 0.17 0.07 -0.07 0.00 0.00 0.00 179.25 179.37 3kck h LEU 1121N 0.26 -0.14 -0.43 0.00 3.38 -1.06 -0.34 115.31 116.97 3kck h LEU 1121Ca 0.07 0.14 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 3kck h LEU 1121Cb 0.54 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3kck h LEU 1121CO 0.03 -0.07 -0.07 0.03 0.09 0.00 0.00 178.44 178.45 3kck h ARG 1122N 0.18 0.81 -0.37 1.13 3.08 -0.32 -1.74 114.38 117.16 3kck h ARG 1122Ca 0.35 -0.30 -0.12 0.00 0.07 0.00 0.00 59.98 59.98 3kck h ARG 1122Cb 0.57 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 3kck h ARG 1122CO -0.50 0.91 -0.23 0.28 -1.07 0.00 0.00 179.97 179.37 3kck h VAL 1123N 0.64 1.28 -0.54 2.04 2.07 -0.71 -0.59 116.25 120.45 3kck h VAL 1123Ca 0.11 -1.37 -0.06 0.00 0.82 0.00 0.00 66.70 66.20 3kck h VAL 1123Cb 0.59 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 3kck h VAL 1123CO 0.04 0.45 0.09 0.44 0.02 0.00 0.00 177.57 178.61 3kck h ASP 1124N 0.61 0.80 -0.27 0.57 3.32 -1.02 -1.66 116.42 118.78 3kck h ASP 1124Ca 0.08 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3kck h ASP 1124Cb 0.79 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 3kck h ASP 1124CO 0.06 0.82 0.17 -0.61 -1.72 0.00 0.00 179.24 177.96 3kck h GLN 1125N 0.81 0.36 -0.96 3.56 5.75 -0.81 -0.83 115.11 123.00 3kck h GLN 1125Ca 0.17 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.69 3kck h GLN 1125Cb 0.36 -0.08 -0.06 0.00 1.07 0.00 0.00 27.48 28.77 3kck h GLN 1125CO 0.01 0.27 0.62 0.82 -2.65 0.00 0.00 178.83 177.89 3kck h ILE 1126N 0.35 1.12 -0.16 2.39 2.04 -0.83 -1.71 117.51 120.70 3kck h ILE 1126Ca 0.10 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.57 3kck h ILE 1126Cb -0.01 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 35.92 3kck h ILE 1126CO -0.02 0.21 0.07 0.03 0.00 0.00 0.00 178.15 178.44 3kck h ARG 1127N 1.16 0.15 -0.82 2.37 3.08 -0.97 -2.40 114.38 116.95 3kck h ARG 1127Ca 0.40 -0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.58 3kck h ARG 1127Cb 0.08 -0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.00 3kck h ARG 1127CO -0.15 0.10 0.40 0.22 -1.07 0.00 0.00 179.97 179.47 3kck h ASP 1128N 0.16 0.45 -0.25 7.04 1.82 -0.65 -2.78 116.42 122.21 3kck h ASP 1128Ca 0.07 0.10 -0.04 0.00 -0.39 0.00 0.00 57.03 56.77 3kck h ASP 1128Cb 0.03 0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.06 3kck h ASP 1128CO -0.06 0.18 0.02 0.78 -1.61 0.00 0.00 179.24 178.55 3kck h ASN 1129N 0.57 0.43 0.00 2.28 -0.26 -0.90 -3.51 115.58 114.18 3kck h ASN 1129Ca 0.45 -0.29 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 3kck h ASN 1129Cb 0.65 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.80 3kck h ASN 1129CO -0.38 0.61 0.00 0.23 -1.06 0.00 0.00 177.43 176.84