#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ux6 h LEU 814 N 0.00 -0.38 -4.93 0.00 3.38 -1.99 -1.70 115.31 109.69 1ux6 h LEU 814 Ca 0.00 -0.15 -0.54 0.00 0.09 0.00 0.00 57.88 57.28 1ux6 h LEU 814 Cb 0.00 0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.86 1ux6 h LEU 814 CO 0.00 -0.03 2.98 0.00 0.09 0.00 0.00 178.44 181.49 1ux6 n ALA 815 N -2.47 6.81 0.03 1.53 0.00 -1.26 -1.72 120.51 123.43 1ux6 n ALA 815 Ca -0.10 -2.96 0.00 0.00 0.00 0.00 0.00 53.44 50.38 1ux6 n ALA 815 Cb 0.27 -3.14 0.00 0.00 0.00 0.00 0.00 19.45 16.57 1ux6 n ALA 815 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ux6 n ASP 816 N 3.53 -0.59 -0.07 0.00 -0.08 -1.17 -4.98 116.55 113.19 1ux6 n ASP 816 Ca 0.67 0.15 -0.05 0.00 -1.51 0.00 0.00 54.79 54.04 1ux6 n ASP 816 Cb 0.31 0.88 -0.14 0.00 2.34 0.00 0.00 41.12 44.50 1ux6 n ASP 816 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1ux6 n ASN 817 N -2.55 0.56 0.02 1.67 2.85 -0.65 -4.58 115.26 112.59 1ux6 n ASN 817 Ca 0.00 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.35 1ux6 n ASN 817 Cb 0.00 1.13 -0.07 0.00 1.24 0.00 0.00 39.78 42.07 1ux6 n ASN 817 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ux6 s PRO 819 N -5.74 4.16 0.59 0.00 0.02 -1.26 -0.90 135.00 131.86 1ux6 s PRO 819 Ca -0.14 2.51 0.29 0.00 0.02 0.00 0.00 61.00 63.69 1ux6 s PRO 819 Cb 0.05 -3.65 1.76 0.00 0.02 0.00 0.00 34.50 32.68 1ux6 s PRO 819 CO 0.67 -0.82 2.19 -0.07 -0.33 0.00 0.00 177.00 178.63 1ux6 h LEU 820 N 8.81 0.00 -1.12 -5.54 -0.00 -0.98 0.21 115.31 116.68 1ux6 h LEU 820 Ca -0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.42 1ux6 h LEU 820 Cb 1.21 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.87 1ux6 h LEU 820 CO 0.94 0.00 -0.04 -0.33 -0.00 0.00 0.00 178.44 179.01 1ux6 h GLU 821 N 0.00 0.00 0.00 1.13 3.07 -1.89 -1.05 114.58 115.84 1ux6 h GLU 821 Ca 0.04 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.58 1ux6 h GLU 821 Cb 0.23 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.08 1ux6 h GLU 821 CO -0.00 0.04 -1.94 0.72 -1.40 0.00 0.00 179.01 176.43 1ux6 n HIS 822 N -3.14 0.68 -3.29 4.33 8.25 0.63 -4.80 115.22 117.89 1ux6 n HIS 822 Ca 0.01 0.24 -0.09 0.00 -0.26 0.00 0.00 57.72 57.63 1ux6 n HIS 822 Cb 0.37 -1.13 -0.05 0.00 1.12 0.00 0.00 29.99 30.31 1ux6 n HIS 822 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1ux6 s ASN 823 N -5.94 0.01 0.11 0.41 2.47 -0.59 -4.99 114.94 106.43 1ux6 s ASN 823 Ca -0.07 -1.01 0.18 0.00 0.42 0.00 0.00 52.86 52.38 1ux6 s ASN 823 Cb 0.07 1.19 0.75 0.00 -1.45 0.00 0.00 41.25 41.81 1ux6 s ASN 823 CO 0.82 -0.25 1.54 -2.65 -3.72 0.00 0.00 177.10 172.84 1ux6 n PRO 824 N 4.57 0.08 -1.51 0.43 -0.02 -0.41 -4.18 135.00 133.96 1ux6 n PRO 824 Ca 0.09 0.34 -0.37 0.00 -2.02 0.00 0.00 63.50 61.54 1ux6 n PRO 824 Cb 0.50 -1.66 -0.03 0.00 -0.02 0.00 0.00 33.50 32.29 1ux6 n PRO 824 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ux6 n ASP 825 N -1.81 8.28 -3.68 2.55 8.00 -1.26 -4.83 116.55 123.79 1ux6 n ASP 825 Ca 0.03 -2.76 -0.09 0.00 0.71 0.00 0.00 54.79 52.68 1ux6 n ASP 825 Cb 0.18 -1.48 -0.02 0.00 -0.02 0.00 0.00 41.12 39.78 1ux6 n ASP 825 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ux6 s GLN 826 N 0.95 1.57 0.49 -1.24 -2.07 -1.26 -5.16 119.66 112.95 1ux6 s GLN 826 Ca 0.65 -0.78 -0.19 0.00 -1.82 0.00 0.00 55.36 53.22 1ux6 s GLN 826 Cb 0.20 0.60 -0.08 0.00 -1.09 0.00 0.00 33.01 32.63 1ux6 s GLN 826 CO -0.07 -0.71 1.00 -0.51 -1.32 0.00 0.00 175.29 173.68 1ux6 s LEU 827 N -2.85 3.77 -0.46 2.60 1.43 -1.26 -4.97 118.68 116.94 1ux6 s LEU 827 Ca 0.07 1.76 0.07 0.00 -1.03 0.00 0.00 54.13 55.00 1ux6 s LEU 827 Cb -0.04 -4.54 0.24 0.00 0.03 0.00 0.00 46.19 41.88 1ux6 s LEU 827 CO -0.01 -0.68 0.76 -0.67 0.23 0.00 0.00 176.35 175.99 1ux6 n ASP 828 N -1.16 -2.09 -0.30 2.29 2.03 -1.26 -1.41 116.55 114.64 1ux6 n ASP 828 Ca 0.08 -3.09 0.19 0.00 0.52 0.00 0.00 54.79 52.49 1ux6 n ASP 828 Cb 0.53 1.12 0.47 0.00 -0.72 0.00 0.00 41.12 42.52 1ux6 n ASP 828 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1ux6 h SER 829 N 4.14 0.51 -0.68 1.67 0.02 -1.95 -1.50 113.55 115.75 1ux6 h SER 829 Ca -0.06 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1ux6 h SER 829 Cb 0.99 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1ux6 h SER 829 CO 0.34 0.16 0.00 -0.90 -1.14 0.00 0.00 176.83 175.29 1ux6 n ASP 830 N -4.61 4.71 -4.06 3.07 5.75 -1.26 -4.97 116.55 115.17 1ux6 n ASP 830 Ca 0.23 -2.37 -0.28 0.00 -0.01 0.00 0.00 54.79 52.36 1ux6 n ASP 830 Cb 0.74 -0.57 -0.04 0.00 -1.03 0.00 0.00 41.12 40.22 1ux6 n ASP 830 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1ux6 n SER 831 N 1.26 -0.12 -0.26 -1.12 7.64 -0.57 -0.80 113.62 119.65 1ux6 n SER 831 Ca 0.26 -1.10 0.02 0.00 1.01 0.00 0.00 58.87 59.07 1ux6 n SER 831 Cb 0.86 -2.59 0.06 0.00 -1.01 0.00 0.00 64.21 61.53 1ux6 n SER 831 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1ux6 n ASP 832 N -2.93 2.39 0.00 6.43 5.75 -1.26 -4.27 116.55 122.65 1ux6 n ASP 832 Ca -0.31 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 52.45 1ux6 n ASP 832 Cb 0.69 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 1ux6 n ASP 832 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ux6 n ARG 833 N -0.10 -0.42 -4.20 0.11 1.74 -1.26 -4.96 116.66 107.57 1ux6 n ARG 833 Ca 0.05 0.10 -0.34 0.00 -0.77 0.00 0.00 57.85 56.89 1ux6 n ARG 833 Cb 0.33 -3.42 -0.14 0.00 -1.02 0.00 0.00 32.46 28.21 1ux6 n ARG 833 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ux6 s ILE 834 N -2.00 3.14 0.49 0.55 -1.09 -1.26 -0.48 121.20 120.54 1ux6 s ILE 834 Ca 0.00 -0.59 -0.22 0.00 -2.23 0.00 0.00 60.65 57.61 1ux6 s ILE 834 Cb 0.00 -2.39 -0.08 0.00 -1.58 0.00 0.00 42.46 38.41 1ux6 s ILE 834 CO 0.00 0.47 0.99 0.61 -1.23 0.00 0.00 174.94 175.78 1ux6 n GLY 835 N 4.36 -0.26 0.32 6.18 0.00 -0.08 -4.65 105.19 111.07 1ux6 n GLY 835 Ca -0.18 0.04 0.10 0.00 0.00 0.00 0.00 46.02 45.97 1ux6 n GLY 835 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ux6 h ASP 836 N 1.17 0.57 0.22 1.61 5.19 -1.59 -0.38 116.42 123.22 1ux6 h ASP 836 Ca -0.46 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.05 1ux6 h ASP 836 Cb 1.35 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.87 1ux6 h ASP 836 CO 0.55 0.21 0.00 0.71 -3.12 0.00 0.00 179.24 177.58 1ux6 h THR 837 N 0.63 0.00 0.00 0.35 1.35 -1.90 -2.90 112.91 110.44 1ux6 h THR 837 Ca 0.51 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 66.28 1ux6 h THR 837 Cb 0.78 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1ux6 h THR 837 CO -0.39 0.00 -0.92 0.00 -0.25 0.00 0.00 175.52 173.96 1ux6 s ASP 839 N -2.28 6.71 0.00 0.00 -1.08 -0.30 -4.87 116.67 114.85 1ux6 s ASP 839 Ca -0.01 2.15 0.00 0.00 -0.52 0.00 0.00 52.55 54.18 1ux6 s ASP 839 Cb 0.04 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.96 1ux6 s ASP 839 CO 0.24 -0.89 0.35 -0.46 0.52 0.00 0.00 175.17 174.93 1ux6 n ASN 840 N 6.97 0.70 -0.08 -0.34 0.23 -1.26 -4.99 115.26 116.49 1ux6 n ASN 840 Ca 0.17 -0.99 -0.01 0.00 -0.53 0.00 0.00 54.58 53.22 1ux6 n ASN 840 Cb 0.43 0.01 -0.00 0.00 -2.08 0.00 0.00 39.78 38.14 1ux6 n ASN 840 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1ux6 n ASN 841 N -0.01 -5.27 -4.58 0.53 3.02 -1.26 -4.92 115.26 102.76 1ux6 n ASN 841 Ca 0.00 0.02 -0.43 0.00 -0.03 0.00 0.00 54.58 54.14 1ux6 n ASN 841 Cb 0.07 -3.21 -0.03 0.00 -0.61 0.00 0.00 39.78 36.01 1ux6 n ASN 841 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1ux6 s GLN 842 N -1.85 3.62 -0.41 3.52 -1.52 -1.26 -4.93 119.66 116.83 1ux6 s GLN 842 Ca 0.00 0.36 0.04 0.00 -1.95 0.00 0.00 55.36 53.81 1ux6 s GLN 842 Cb 0.00 -3.94 0.17 0.00 -0.22 0.00 0.00 33.01 29.02 1ux6 s GLN 842 CO 0.00 -1.40 0.33 0.34 -0.25 0.00 0.00 175.29 174.31 1ux6 s ASP 843 N 2.52 1.50 0.43 5.90 2.15 -1.26 0.40 116.67 128.31 1ux6 s ASP 843 Ca 0.44 -3.01 0.10 0.00 0.43 0.00 0.00 52.55 50.50 1ux6 s ASP 843 Cb -0.08 -0.43 0.96 0.00 -0.30 0.00 0.00 42.92 43.07 1ux6 s ASP 843 CO 0.29 -0.18 2.07 -0.29 -0.17 0.00 0.00 175.17 176.88 1ux6 h ILE 844 N 4.66 1.06 -0.44 4.11 2.10 -1.89 -1.90 117.51 125.20 1ux6 h ILE 844 Ca 0.26 -0.15 0.00 0.00 1.08 0.00 0.00 64.86 66.05 1ux6 h ILE 844 Cb 0.91 0.58 0.00 0.00 -1.09 0.00 0.00 36.82 37.23 1ux6 h ILE 844 CO 0.36 0.08 0.00 -0.90 -1.08 0.00 0.00 178.15 176.61 1ux6 n ASP 845 N -4.48 3.02 -3.84 2.19 5.68 -1.26 -4.96 116.55 112.89 1ux6 n ASP 845 Ca 0.03 -1.95 -0.30 0.00 -0.50 0.00 0.00 54.79 52.07 1ux6 n ASP 845 Cb 0.11 -0.29 -0.00 0.00 -1.14 0.00 0.00 41.12 39.80 1ux6 n ASP 845 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1ux6 n GLU 846 N 1.18 -4.03 -0.39 0.11 -0.58 -0.72 -4.66 120.64 111.54 1ux6 n GLU 846 Ca 0.19 0.48 0.11 0.00 -0.42 0.00 0.00 57.16 57.53 1ux6 n GLU 846 Cb 0.51 -5.27 0.33 0.00 -0.57 0.00 0.00 31.44 26.44 1ux6 n GLU 846 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1ux6 n ASP 847 N -2.59 4.03 0.00 1.62 5.68 -1.26 -1.99 116.55 122.03 1ux6 n ASP 847 Ca 0.04 -2.04 0.00 0.00 -0.50 0.00 0.00 54.79 52.29 1ux6 n ASP 847 Cb 0.52 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 1ux6 n ASP 847 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ux6 n GLY 848 N 1.59 0.74 2.96 6.12 0.00 -1.26 -4.29 105.19 111.05 1ux6 n GLY 848 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 1ux6 n GLY 848 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ux6 s HIS 849 N -2.56 2.21 0.59 1.61 3.76 -1.26 -5.02 115.29 114.62 1ux6 s HIS 849 Ca 0.00 -1.46 -0.20 0.00 -0.15 0.00 0.00 55.06 53.26 1ux6 s HIS 849 Cb 0.00 -1.54 -0.04 0.00 1.11 0.00 0.00 32.58 32.11 1ux6 s HIS 849 CO 0.00 -0.71 1.18 0.00 -0.85 0.00 0.00 174.74 174.36 1ux6 n GLN 850 N 4.74 1.23 -0.30 1.40 10.64 -1.26 -4.62 117.38 129.21 1ux6 n GLN 850 Ca -0.14 0.47 0.08 0.00 -1.83 0.00 0.00 57.00 55.58 1ux6 n GLN 850 Cb 0.47 -2.39 0.17 0.00 -0.86 0.00 0.00 30.24 27.62 1ux6 n GLN 850 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1ux6 n ASN 851 N -1.10 -0.23 -0.04 2.61 3.02 0.16 -0.09 115.26 119.60 1ux6 n ASN 851 Ca 0.13 1.45 0.16 0.00 -0.03 0.00 0.00 54.58 56.29 1ux6 n ASN 851 Cb 0.46 -0.47 0.91 0.00 -0.61 0.00 0.00 39.78 40.07 1ux6 n ASN 851 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1ux6 n ASN 852 N -5.32 0.13 -2.25 6.41 6.94 -1.26 -3.37 115.26 116.53 1ux6 n ASN 852 Ca 0.16 -1.03 -0.05 0.00 -0.02 0.00 0.00 54.58 53.64 1ux6 n ASN 852 Cb 0.50 -0.00 0.05 0.00 -2.36 0.00 0.00 39.78 37.97 1ux6 n ASN 852 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1ux6 n LEU 853 N -0.91 2.43 -3.97 -4.53 4.77 0.88 -4.97 117.00 110.71 1ux6 n LEU 853 Ca 0.23 -3.38 -0.28 0.00 -0.03 0.00 0.00 56.01 52.56 1ux6 n LEU 853 Cb 0.13 0.12 -0.17 0.00 -2.33 0.00 0.00 43.42 41.17 1ux6 n LEU 853 CO 0.18 1.25 -0.47 -0.62 -1.33 0.00 0.00 177.39 176.41 1ux6 s ASP 854 N -3.44 2.41 0.00 -1.43 -1.08 -1.03 -4.56 116.67 107.55 1ux6 s ASP 854 Ca 0.35 -0.39 0.16 0.00 -0.52 0.00 0.00 52.55 52.15 1ux6 s ASP 854 Cb 0.36 -1.01 0.97 0.00 -1.46 0.00 0.00 42.92 41.78 1ux6 s ASP 854 CO -0.04 -0.08 1.46 -0.46 0.52 0.00 0.00 175.17 176.57 1ux6 n ASN 855 N 4.78 0.00 -2.96 -0.34 0.23 -1.26 -3.41 115.26 112.30 1ux6 n ASN 855 Ca -0.15 -0.97 -0.15 0.00 -0.53 0.00 0.00 54.58 52.78 1ux6 n ASN 855 Cb 0.50 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.19 1ux6 n ASN 855 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ux6 h PRO 857 N 4.33 0.19 0.00 0.00 0.11 -1.84 -2.48 132.00 132.32 1ux6 h PRO 857 Ca -0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1ux6 h PRO 857 Cb 0.98 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1ux6 h PRO 857 CO 0.33 0.13 -0.64 0.66 -0.21 0.00 0.00 178.00 178.27 1ux6 n TYR 858 N -4.74 0.00 -3.76 0.65 4.02 -1.26 -4.23 117.16 107.84 1ux6 n TYR 858 Ca 0.33 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.86 1ux6 n TYR 858 Cb 1.21 -0.02 -0.12 0.00 -0.02 0.00 0.00 39.34 40.39 1ux6 n TYR 858 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1ux6 s VAL 859 N -2.19 4.34 0.01 -0.72 1.01 -0.93 -4.82 120.40 117.10 1ux6 s VAL 859 Ca 0.04 -0.16 -0.34 0.00 0.00 0.00 0.00 61.98 61.52 1ux6 s VAL 859 Cb 0.09 -3.03 -0.12 0.00 0.00 0.00 0.00 36.38 33.32 1ux6 s VAL 859 CO 0.50 0.34 1.79 -2.65 0.00 0.00 0.00 175.10 175.07 1ux6 n PRO 860 N 4.90 2.24 -2.75 2.72 -0.02 -1.26 -4.74 135.00 136.10 1ux6 n PRO 860 Ca -0.16 0.82 -0.05 0.00 -2.02 0.00 0.00 63.50 62.08 1ux6 n PRO 860 Cb 0.51 -2.65 0.03 0.00 -0.02 0.00 0.00 33.50 31.38 1ux6 n PRO 860 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1ux6 n ASN 861 N 5.60 -3.02 -0.24 2.55 6.94 -1.26 -5.00 115.26 120.83 1ux6 n ASN 861 Ca 0.20 -2.87 0.14 0.00 -0.02 0.00 0.00 54.58 52.04 1ux6 n ASN 861 Cb 0.30 1.67 0.43 0.00 -2.36 0.00 0.00 39.78 39.82 1ux6 n ASN 861 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ux6 h ALA 862 N 4.50 1.97 -0.00 -2.53 0.00 -1.78 -1.45 119.26 119.96 1ux6 h ALA 862 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ux6 h ALA 862 Cb 1.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ux6 h ALA 862 CO 0.11 -0.21 -0.08 0.27 0.00 0.00 0.00 179.25 179.33 1ux6 n ASN 863 N -4.54 0.37 -2.79 0.00 2.04 -1.26 -4.71 115.26 104.37 1ux6 n ASN 863 Ca 0.17 -0.52 -0.17 0.00 -0.44 0.00 0.00 54.58 53.62 1ux6 n ASN 863 Cb 0.53 -0.11 -0.00 0.00 -2.53 0.00 0.00 39.78 37.67 1ux6 n ASN 863 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ux6 n GLN 864 N -1.01 -2.85 -1.68 -3.83 1.13 -0.55 -4.88 117.38 103.72 1ux6 n GLN 864 Ca 0.15 0.59 -0.45 0.00 -1.94 0.00 0.00 57.00 55.35 1ux6 n GLN 864 Cb 0.26 -5.25 -0.04 0.00 0.11 0.00 0.00 30.24 25.32 1ux6 n GLN 864 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ux6 n ALA 865 N -2.76 1.62 -3.17 -1.58 0.00 -1.26 -4.86 120.51 108.50 1ux6 n ALA 865 Ca -0.10 0.44 -0.19 0.00 0.00 0.00 0.00 53.44 53.59 1ux6 n ALA 865 Cb 0.59 -2.38 -0.06 0.00 0.00 0.00 0.00 19.45 17.60 1ux6 n ALA 865 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ux6 s ASP 866 N 0.94 0.39 0.47 0.00 2.15 -1.26 0.27 116.67 119.63 1ux6 s ASP 866 Ca 0.78 -2.54 0.32 0.00 0.43 0.00 0.00 52.55 51.54 1ux6 s ASP 866 Cb -0.65 0.43 1.56 0.00 -0.30 0.00 0.00 42.92 43.96 1ux6 s ASP 866 CO 0.37 -0.13 1.97 0.45 -0.17 0.00 0.00 175.17 177.65 1ux6 h HIS 867 N 5.47 0.00 -0.23 -5.34 3.86 -1.90 -1.78 115.15 115.23 1ux6 h HIS 867 Ca 0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1ux6 h HIS 867 Cb 0.99 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.46 1ux6 h HIS 867 CO 0.21 0.00 0.00 -0.40 0.86 0.00 0.00 177.93 178.60 1ux6 n ASP 868 N -2.70 2.59 -4.27 2.45 5.68 -1.04 -4.90 116.55 114.36 1ux6 n ASP 868 Ca -0.01 -1.81 -0.35 0.00 -0.50 0.00 0.00 54.79 52.12 1ux6 n ASP 868 Cb 0.15 -0.15 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 1ux6 n ASP 868 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1ux6 n LYS 869 N 0.59 -2.27 -0.26 0.11 5.02 -0.67 -4.84 118.16 115.84 1ux6 n LYS 869 Ca 0.10 0.28 0.11 0.00 -2.02 0.00 0.00 58.31 56.78 1ux6 n LYS 869 Cb 0.38 -4.69 0.27 0.00 -0.02 0.00 0.00 35.03 30.97 1ux6 n LYS 869 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1ux6 n ASP 870 N -2.70 3.33 0.00 4.39 5.68 -1.26 -4.94 116.55 121.05 1ux6 n ASP 870 Ca -0.04 -1.97 0.00 0.00 -0.50 0.00 0.00 54.79 52.28 1ux6 n ASP 870 Cb 0.55 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 1ux6 n ASP 870 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ux6 n GLY 871 N 1.50 2.48 3.37 6.12 0.00 -1.26 -5.02 105.19 112.37 1ux6 n GLY 871 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1ux6 n GLY 871 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ux6 s LYS 872 N -0.82 3.12 0.72 1.61 1.02 -1.26 -4.67 119.74 119.45 1ux6 s LYS 872 Ca 0.00 -0.85 -0.16 0.00 0.02 0.00 0.00 55.97 54.98 1ux6 s LYS 872 Cb 0.00 -3.45 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 1ux6 s LYS 872 CO 0.00 -0.46 0.98 0.41 -0.92 0.00 0.00 175.35 175.36 1ux6 n GLY 873 N 4.90 -0.40 0.38 -3.33 0.00 -0.63 -4.61 105.19 101.51 1ux6 n GLY 873 Ca -0.14 -0.33 0.21 0.00 0.00 0.00 0.00 46.02 45.76 1ux6 n GLY 873 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ux6 h ASP 874 N -0.21 0.54 0.31 1.61 5.19 -0.52 0.62 116.42 123.96 1ux6 h ASP 874 Ca -0.47 0.11 -0.00 0.00 -0.62 0.00 0.00 57.03 56.05 1ux6 h ASP 874 Cb 1.33 0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.87 1ux6 h ASP 874 CO 0.47 0.08 -0.00 0.00 -3.12 0.00 0.00 179.24 176.67 1ux6 h ALA 875 N 1.67 1.01 0.00 3.45 0.00 -1.89 -2.81 119.26 120.69 1ux6 h ALA 875 Ca 0.63 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.45 1ux6 h ALA 875 Cb 1.43 -0.00 -0.18 0.00 0.00 0.00 0.00 17.79 19.04 1ux6 h ALA 875 CO -0.39 0.00 -0.70 0.00 0.00 0.00 0.00 179.25 178.17 1ux6 s ASP 877 N -2.31 3.10 0.00 0.00 -1.08 -0.63 -4.79 116.67 110.96 1ux6 s ASP 877 Ca 0.30 -0.52 0.25 0.00 -0.52 0.00 0.00 52.55 52.06 1ux6 s ASP 877 Cb 0.32 -1.01 0.53 0.00 -1.46 0.00 0.00 42.92 41.29 1ux6 s ASP 877 CO -0.10 0.22 1.42 1.41 0.52 0.00 0.00 175.17 178.65 1ux6 n HIS 878 N 3.11 0.00 -3.21 -5.34 8.25 -1.26 -4.45 115.22 112.32 1ux6 n HIS 878 Ca -0.18 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.08 1ux6 n HIS 878 Cb 0.52 -0.08 -0.07 0.00 1.12 0.00 0.00 29.99 31.49 1ux6 n HIS 878 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1ux6 s ASP 879 N -2.47 0.57 0.65 0.41 2.15 -1.26 -1.23 116.67 115.49 1ux6 s ASP 879 Ca 0.23 -2.64 0.34 0.00 0.43 0.00 0.00 52.55 50.91 1ux6 s ASP 879 Cb 0.19 0.27 1.88 0.00 -0.30 0.00 0.00 42.92 44.96 1ux6 s ASP 879 CO 0.53 -0.14 2.09 0.44 -0.17 0.00 0.00 175.17 177.92 1ux6 h ASP 880 N 5.49 0.00 -0.05 -0.34 3.32 -1.78 -1.98 116.42 121.08 1ux6 h ASP 880 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1ux6 h ASP 880 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1ux6 h ASP 880 CO 0.26 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 176.88 1ux6 n ASP 881 N -3.15 1.80 -3.96 6.45 5.75 -1.23 -2.49 116.55 119.71 1ux6 n ASP 881 Ca -0.01 -1.60 -0.31 0.00 -0.01 0.00 0.00 54.79 52.86 1ux6 n ASP 881 Cb 0.29 -0.04 0.02 0.00 -1.03 0.00 0.00 41.12 40.36 1ux6 n ASP 881 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1ux6 n ASN 882 N -0.03 -4.61 -1.36 -1.12 3.02 -0.75 -4.59 115.26 105.81 1ux6 n ASN 882 Ca 0.03 -0.81 0.11 0.00 -0.03 0.00 0.00 54.58 53.88 1ux6 n ASN 882 Cb 0.20 -3.69 0.32 0.00 -0.61 0.00 0.00 39.78 36.00 1ux6 n ASN 882 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1ux6 n ASP 883 N -2.79 4.05 0.00 6.41 5.75 -1.26 -4.93 116.55 123.77 1ux6 n ASP 883 Ca 0.05 -2.07 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 1ux6 n ASP 883 Cb 0.52 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 1ux6 n ASP 883 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ux6 n GLY 884 N 1.52 2.31 3.46 6.12 0.00 -1.26 -4.56 105.19 112.77 1ux6 n GLY 884 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 1ux6 n GLY 884 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ux6 s ILE 885 N -2.38 5.07 0.55 -0.61 -1.09 -1.26 -5.06 121.20 116.42 1ux6 s ILE 885 Ca 0.00 -0.54 -0.20 0.00 -2.23 0.00 0.00 60.65 57.69 1ux6 s ILE 885 Cb 0.00 -3.74 -0.08 0.00 -1.58 0.00 0.00 42.46 37.07 1ux6 s ILE 885 CO 0.00 -0.17 0.80 -2.65 -1.23 0.00 0.00 174.94 171.69 1ux6 n PRO 886 N 5.10 0.83 -0.24 2.79 -0.02 -1.26 -4.56 135.00 137.63 1ux6 n PRO 886 Ca -0.12 0.31 0.01 0.00 -2.02 0.00 0.00 63.50 61.69 1ux6 n PRO 886 Cb 0.48 -1.94 0.09 0.00 -0.02 0.00 0.00 33.50 32.10 1ux6 n PRO 886 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1ux6 h ASP 887 N 0.61 -0.61 0.01 2.55 3.32 -1.54 -0.45 116.42 120.31 1ux6 h ASP 887 Ca -0.46 0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1ux6 h ASP 887 Cb 1.37 0.42 0.00 0.00 0.22 0.00 0.00 39.33 41.35 1ux6 h ASP 887 CO 0.51 -0.23 0.00 -0.90 -1.72 0.00 0.00 179.24 176.90 1ux6 n ASP 888 N -5.45 0.35 0.00 6.45 5.75 -1.26 -2.13 116.55 120.26 1ux6 n ASP 888 Ca 0.10 0.66 0.00 0.00 -0.01 0.00 0.00 54.79 55.54 1ux6 n ASP 888 Cb 0.38 -0.71 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 1ux6 n ASP 888 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1ux6 n LYS 889 N -1.98 0.47 -3.17 0.11 5.02 -0.29 -5.02 118.16 113.31 1ux6 n LYS 889 Ca -0.01 -0.67 -0.41 0.00 -2.02 0.00 0.00 58.31 55.20 1ux6 n LYS 889 Cb 0.02 -0.82 -0.07 0.00 -0.02 0.00 0.00 35.03 34.15 1ux6 n LYS 889 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ux6 s ASP 890 N -0.28 6.42 0.00 4.39 -1.08 -0.55 -4.92 116.67 120.66 1ux6 s ASP 890 Ca 0.00 0.25 0.19 0.00 -0.52 0.00 0.00 52.55 52.48 1ux6 s ASP 890 Cb 0.00 -2.30 1.14 0.00 -1.46 0.00 0.00 42.92 40.30 1ux6 s ASP 890 CO 0.00 -0.47 1.67 -0.46 0.52 0.00 0.00 175.17 176.43 1ux6 n ASN 891 N 5.82 0.00 -3.14 -0.34 2.04 -1.26 -3.51 115.26 114.88 1ux6 n ASN 891 Ca -0.03 -1.20 -0.20 0.00 -0.44 0.00 0.00 54.58 52.71 1ux6 n ASN 891 Cb 0.49 0.00 -0.05 0.00 -2.53 0.00 0.00 39.78 37.69 1ux6 n ASN 891 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ux6 h ARG 893 N 4.74 0.37 -0.01 0.00 2.43 -1.89 -2.63 114.38 117.37 1ux6 h ARG 893 Ca 0.11 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1ux6 h ARG 893 Cb 0.95 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1ux6 h ARG 893 CO 0.34 0.24 -0.35 1.28 -1.51 0.00 0.00 179.97 179.97 1ux6 n LEU 894 N -4.51 1.66 -4.12 3.80 4.77 -1.26 -3.58 117.00 113.76 1ux6 n LEU 894 Ca 0.20 -0.76 -0.32 0.00 -0.03 0.00 0.00 56.01 55.09 1ux6 n LEU 894 Cb 0.74 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.67 1ux6 n LEU 894 CO 0.31 0.32 -0.53 -0.69 -1.33 0.00 0.00 177.39 175.47 1ux6 s VAL 895 N -1.96 1.98 0.09 4.08 1.01 -0.99 -4.78 120.40 119.83 1ux6 s VAL 895 Ca 0.14 -0.90 -0.34 0.00 0.00 0.00 0.00 61.98 60.88 1ux6 s VAL 895 Cb 0.13 -1.78 -0.14 0.00 0.00 0.00 0.00 36.38 34.59 1ux6 s VAL 895 CO 0.42 0.53 1.62 -2.65 0.00 0.00 0.00 175.10 175.02 1ux6 n PRO 896 N 4.50 2.04 -2.73 2.72 -0.02 -1.26 -4.75 135.00 135.50 1ux6 n PRO 896 Ca -0.20 0.74 -0.06 0.00 -2.02 0.00 0.00 63.50 61.96 1ux6 n PRO 896 Cb 0.50 -2.51 0.04 0.00 -0.02 0.00 0.00 33.50 31.51 1ux6 n PRO 896 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1ux6 n ASN 897 N 4.05 -2.70 -0.34 2.55 6.94 -1.26 -5.02 115.26 119.48 1ux6 n ASN 897 Ca 0.18 -2.74 0.19 0.00 -0.02 0.00 0.00 54.58 52.19 1ux6 n ASN 897 Cb 0.28 1.54 0.41 0.00 -2.36 0.00 0.00 39.78 39.65 1ux6 n ASN 897 CO 0.00 0.00 0.00 -0.65 -1.03 0.00 0.00 177.26 175.58 1ux6 h PRO 898 N 4.19 0.53 0.00 -0.53 0.11 -1.91 -0.70 132.00 133.70 1ux6 h PRO 898 Ca -0.09 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1ux6 h PRO 898 Cb 1.09 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1ux6 h PRO 898 CO 0.12 0.35 0.00 -0.40 -0.21 0.00 0.00 178.00 177.86 1ux6 n ASP 899 N -4.85 0.00 -2.37 -2.05 5.68 -1.26 -4.89 116.55 106.81 1ux6 n ASP 899 Ca 0.27 0.25 -0.10 0.00 -0.50 0.00 0.00 54.79 54.71 1ux6 n ASP 899 Cb 0.77 -0.40 -0.01 0.00 -1.14 0.00 0.00 41.12 40.35 1ux6 n ASP 899 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ux6 n GLN 900 N -1.40 -2.29 -1.63 0.11 1.13 -0.27 -4.84 117.38 108.19 1ux6 n GLN 900 Ca 0.08 0.49 -0.48 0.00 -1.94 0.00 0.00 57.00 55.15 1ux6 n GLN 900 Cb 0.22 -5.05 -0.05 0.00 0.11 0.00 0.00 30.24 25.48 1ux6 n GLN 900 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 1ux6 n LYS 901 N -2.67 1.68 -3.28 -1.09 4.81 -1.26 -4.87 118.16 111.47 1ux6 n LYS 901 Ca -0.12 0.60 -0.21 0.00 -0.87 0.00 0.00 58.31 57.71 1ux6 n LYS 901 Cb 0.57 -2.30 -0.08 0.00 0.02 0.00 0.00 35.03 33.24 1ux6 n LYS 901 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1ux6 s ASP 902 N 0.64 1.03 0.46 3.14 2.15 -1.26 -0.63 116.67 122.21 1ux6 s ASP 902 Ca 0.80 -2.46 0.31 0.00 0.43 0.00 0.00 52.55 51.64 1ux6 s ASP 902 Cb -0.80 0.17 1.69 0.00 -0.30 0.00 0.00 42.92 43.69 1ux6 s ASP 902 CO 0.43 -0.18 1.96 0.28 -0.17 0.00 0.00 175.17 177.49 1ux6 h SER 903 N 5.95 0.00 -0.04 -0.34 0.02 -1.92 -2.19 113.55 115.04 1ux6 h SER 903 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1ux6 h SER 903 Cb 0.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1ux6 h SER 903 CO 0.26 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 175.05 1ux6 n ASP 904 N -2.60 1.81 -3.70 3.07 5.68 -1.26 -5.03 116.55 114.53 1ux6 n ASP 904 Ca -0.02 -1.69 -0.28 0.00 -0.50 0.00 0.00 54.79 52.31 1ux6 n ASP 904 Cb 0.05 -0.03 0.02 0.00 -1.14 0.00 0.00 41.12 40.03 1ux6 n ASP 904 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ux6 n GLY 905 N -0.18 -0.50 1.11 6.12 0.00 -0.82 -4.90 105.19 106.01 1ux6 n GLY 905 Ca 0.02 0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.33 1ux6 n GLY 905 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ux6 n ASP 906 N -2.71 3.34 0.00 1.61 5.75 -1.26 -4.94 116.55 118.34 1ux6 n ASP 906 Ca 0.02 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 1ux6 n ASP 906 Cb 0.54 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 1ux6 n ASP 906 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ux6 n GLY 907 N 1.48 0.73 3.10 6.12 0.00 -1.26 -5.04 105.19 110.31 1ux6 n GLY 907 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1ux6 n GLY 907 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ux6 s ARG 908 N -0.60 2.82 0.71 1.61 6.06 -1.26 -4.70 118.95 123.59 1ux6 s ARG 908 Ca 0.00 -0.80 -0.16 0.00 -2.50 0.00 0.00 55.73 52.27 1ux6 s ARG 908 Cb 0.00 -2.50 0.02 0.00 0.06 0.00 0.00 34.95 32.54 1ux6 s ARG 908 CO 0.00 -0.23 1.24 0.20 -2.50 0.00 0.00 175.30 174.01 1ux6 s GLY 909 N 1.32 2.53 0.34 8.12 0.00 -0.63 -4.77 107.32 114.23 1ux6 s GLY 909 Ca 0.04 1.01 0.02 0.00 0.00 0.00 0.00 44.72 45.79 1ux6 s GLY 909 CO -0.12 1.42 1.99 -0.55 0.00 0.00 0.00 173.10 175.84 1ux6 h ASP 910 N -0.02 0.75 -0.17 1.64 5.19 -1.21 -1.70 116.42 120.89 1ux6 h ASP 910 Ca -0.49 -0.03 0.05 0.00 -0.62 0.00 0.00 57.03 55.94 1ux6 h ASP 910 Cb 1.31 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 40.63 1ux6 h ASP 910 CO 0.51 0.56 0.16 0.00 -3.12 0.00 0.00 179.24 177.35 1ux6 h ALA 911 N 1.57 1.90 0.00 3.45 0.00 -1.91 -3.08 119.26 121.18 1ux6 h ALA 911 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1ux6 h ALA 911 Cb -0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1ux6 h ALA 911 CO -0.05 -0.25 -0.23 0.00 0.00 0.00 0.00 179.25 178.72 1ux6 h LYS 913 N 0.00 0.00 0.00 0.00 2.10 -1.22 -3.08 116.57 114.36 1ux6 h LYS 913 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.59 1ux6 h LYS 913 Cb 1.14 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.46 1ux6 h LYS 913 CO 0.00 0.00 -1.55 -0.25 -2.00 0.00 0.00 179.45 175.65 1ux6 n ASP 914 N -4.37 2.58 -3.42 7.07 8.00 -1.26 -4.87 116.55 120.28 1ux6 n ASP 914 Ca 0.10 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.32 1ux6 n ASP 914 Cb 0.63 1.23 -0.11 0.00 -0.02 0.00 0.00 41.12 42.85 1ux6 n ASP 914 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ux6 s ASP 915 N -3.56 2.12 0.33 -2.24 2.15 -1.17 -1.05 116.67 113.26 1ux6 s ASP 915 Ca -0.04 -2.64 0.10 0.00 0.43 0.00 0.00 52.55 50.41 1ux6 s ASP 915 Cb 0.05 -0.40 0.89 0.00 -0.30 0.00 0.00 42.92 43.16 1ux6 s ASP 915 CO 0.43 -0.24 1.76 0.15 -0.17 0.00 0.00 175.17 177.10 1ux6 h PHE 916 N 6.29 0.95 -0.30 -5.34 3.57 -1.77 -1.90 116.94 118.45 1ux6 h PHE 916 Ca 0.17 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1ux6 h PHE 916 Cb 0.94 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.40 1ux6 h PHE 916 CO 0.34 0.12 0.00 -0.40 -2.23 0.00 0.00 178.31 176.15 1ux6 n ASP 917 N -4.79 3.13 -3.96 0.41 5.68 -1.20 -4.41 116.55 111.42 1ux6 n ASP 917 Ca 0.25 -1.91 -0.28 0.00 -0.50 0.00 0.00 54.79 52.36 1ux6 n ASP 917 Cb 0.71 -0.19 -0.01 0.00 -1.14 0.00 0.00 41.12 40.50 1ux6 n ASP 917 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1ux6 n HIS 918 N 1.22 -1.82 -0.73 2.11 8.25 -0.72 -4.48 115.22 119.06 1ux6 n HIS 918 Ca 0.16 0.80 0.08 0.00 -0.26 0.00 0.00 57.72 58.50 1ux6 n HIS 918 Cb 0.53 -3.73 0.34 0.00 1.12 0.00 0.00 29.99 28.25 1ux6 n HIS 918 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1ux6 n ASP 919 N -2.91 4.74 -0.35 0.41 5.68 -1.26 -4.93 116.55 117.94 1ux6 n ASP 919 Ca -0.18 -2.64 -0.05 0.00 -0.50 0.00 0.00 54.79 51.43 1ux6 n ASP 919 Cb 0.62 -0.57 -0.02 0.00 -1.14 0.00 0.00 41.12 40.01 1ux6 n ASP 919 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1ux6 n SER 920 N 0.67 -4.66 -4.06 -1.12 7.64 -1.26 -4.98 113.62 105.85 1ux6 n SER 920 Ca 0.25 0.11 -0.32 0.00 1.01 0.00 0.00 58.87 59.92 1ux6 n SER 920 Cb 0.94 -2.56 -0.15 0.00 -1.01 0.00 0.00 64.21 61.43 1ux6 n SER 920 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ux6 s VAL 921 N -1.80 2.10 0.46 0.44 1.01 -1.26 -5.10 120.40 116.25 1ux6 s VAL 921 Ca 0.00 -1.55 -0.21 0.00 0.00 0.00 0.00 61.98 60.22 1ux6 s VAL 921 Cb 0.00 -2.20 -0.12 0.00 0.00 0.00 0.00 36.38 34.06 1ux6 s VAL 921 CO 0.00 0.00 0.46 -2.65 0.00 0.00 0.00 175.10 172.91 1ux6 n PRO 922 N 4.47 0.48 -0.27 2.72 -0.02 -1.26 -4.44 135.00 136.68 1ux6 n PRO 922 Ca -0.14 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1ux6 n PRO 922 Cb 0.43 -1.48 0.07 0.00 -0.02 0.00 0.00 33.50 32.50 1ux6 n PRO 922 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1ux6 h ASP 923 N 0.57 -0.87 -0.80 2.55 3.32 -1.44 0.81 116.42 120.57 1ux6 h ASP 923 Ca -0.41 0.24 0.05 0.00 0.02 0.00 0.00 57.03 56.93 1ux6 h ASP 923 Cb 1.41 0.52 -0.05 0.00 0.22 0.00 0.00 39.33 41.43 1ux6 h ASP 923 CO 0.49 -0.27 0.52 0.40 -1.72 0.00 0.00 179.24 178.67 1ux6 h ILE 924 N -0.03 1.08 -0.00 0.35 1.08 -1.89 -2.62 117.51 115.47 1ux6 h ILE 924 Ca 0.34 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 64.50 1ux6 h ILE 924 Cb 0.57 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.40 1ux6 h ILE 924 CO -0.79 0.17 -0.78 0.47 -0.69 0.00 0.00 178.15 176.53 1ux6 n ASP 925 N -4.47 0.92 -4.64 1.72 8.00 -0.68 -4.87 116.55 112.53 1ux6 n ASP 925 Ca 0.11 -0.80 -0.43 0.00 0.71 0.00 0.00 54.79 54.38 1ux6 n ASP 925 Cb 0.17 0.69 -0.02 0.00 -0.02 0.00 0.00 41.12 41.95 1ux6 n ASP 925 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ux6 s ASP 926 N -2.94 6.97 0.56 -2.24 -1.08 0.19 -4.89 116.67 113.24 1ux6 s ASP 926 Ca 0.10 1.14 0.35 0.00 -0.52 0.00 0.00 52.55 53.62 1ux6 s ASP 926 Cb 0.17 -2.54 1.50 0.00 -1.46 0.00 0.00 42.92 40.58 1ux6 s ASP 926 CO 0.78 -0.83 2.03 0.16 0.52 0.00 0.00 175.17 177.84 1ux6 h ILE 927 N 5.66 0.04 -2.47 4.11 3.07 -1.82 -3.28 117.51 122.81 1ux6 h ILE 927 Ca -0.20 -0.47 -0.59 0.00 1.55 0.00 0.00 64.86 65.15 1ux6 h ILE 927 Cb 1.06 1.45 -0.39 0.00 -0.27 0.00 0.00 36.82 38.67 1ux6 h ILE 927 CO 1.02 0.01 -0.90 0.00 -1.05 0.00 0.00 178.15 177.23 1ux6 h PRO 929 N 5.44 0.00 -0.82 0.00 0.11 -1.84 -2.57 132.00 132.31 1ux6 h PRO 929 Ca 0.23 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.77 1ux6 h PRO 929 Cb 0.87 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.58 1ux6 h PRO 929 CO 0.45 0.00 -0.53 0.39 -0.21 0.00 0.00 178.00 178.11 1ux6 n GLU 930 N -4.09 3.46 -3.29 1.05 1.02 -1.26 -3.23 120.64 114.29 1ux6 n GLU 930 Ca 0.08 -4.03 -0.07 0.00 -0.02 0.00 0.00 57.16 53.12 1ux6 n GLU 930 Cb 0.59 -2.28 -0.06 0.00 -0.02 0.00 0.00 31.44 29.67 1ux6 n GLU 930 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1ux6 s ASN 931 N -3.29 0.07 0.52 1.62 3.84 -0.97 -5.00 114.94 111.73 1ux6 s ASN 931 Ca 0.53 -0.08 0.35 0.00 0.21 0.00 0.00 52.86 53.87 1ux6 s ASN 931 Cb 0.43 1.25 1.74 0.00 -0.55 0.00 0.00 41.25 44.12 1ux6 s ASN 931 CO 0.02 -0.33 2.05 1.62 -2.79 0.00 0.00 177.10 177.68 1ux6 h VAL 932 N 6.14 0.00 0.00 -5.21 3.04 -1.82 -2.60 116.25 115.80 1ux6 h VAL 932 Ca -0.12 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 1ux6 h VAL 932 Cb 1.14 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 1ux6 h VAL 932 CO 0.26 0.00 -0.12 0.44 -1.01 0.00 0.00 177.57 177.13 1ux6 h ASP 933 N 0.00 0.00 -3.37 3.17 3.32 -1.94 -3.45 116.42 114.15 1ux6 h ASP 933 Ca 0.00 -0.03 -0.48 0.00 0.02 0.00 0.00 57.03 56.55 1ux6 h ASP 933 Cb 0.18 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 39.38 1ux6 h ASP 933 CO 0.00 0.01 -0.79 -0.63 -1.72 0.00 0.00 179.24 176.11 1ux6 s ILE 934 N -3.15 0.86 0.00 0.35 1.01 -0.98 -4.98 121.20 114.31 1ux6 s ILE 934 Ca 0.09 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.46 1ux6 s ILE 934 Cb 0.10 -0.85 0.00 0.00 0.01 0.00 0.00 42.46 41.73 1ux6 s ILE 934 CO 0.64 0.31 0.00 -1.54 0.00 0.00 0.00 174.94 174.35 1ux6 n SER 935 N 4.21 1.62 -3.84 3.58 3.41 -1.26 -4.07 113.62 117.27 1ux6 n SER 935 Ca -0.20 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.31 1ux6 n SER 935 Cb 0.51 0.32 -0.05 0.00 -0.26 0.00 0.00 64.21 64.72 1ux6 n SER 935 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1ux6 s GLU 936 N -0.66 1.23 0.45 4.33 -1.05 -1.26 -3.05 118.70 118.69 1ux6 s GLU 936 Ca 0.00 -1.01 -0.23 0.00 -0.15 0.00 0.00 54.97 53.59 1ux6 s GLU 936 Cb 0.00 0.44 -0.08 0.00 -0.44 0.00 0.00 34.13 34.05 1ux6 s GLU 936 CO 0.00 -0.48 1.11 0.99 0.95 0.00 0.00 175.26 177.83 1ux6 s THR 937 N -3.91 3.37 -0.19 1.83 2.01 -1.26 -4.97 115.64 112.52 1ux6 s THR 937 Ca 0.12 1.00 0.23 0.00 0.31 0.00 0.00 61.69 63.36 1ux6 s THR 937 Cb 0.01 -3.50 0.48 0.00 0.01 0.00 0.00 72.50 69.51 1ux6 s THR 937 CO -0.02 -0.03 1.13 -0.90 -0.69 0.00 0.00 174.62 174.10 1ux6 n ASP 938 N -0.45 1.57 -1.96 3.53 5.75 -1.26 -4.93 116.55 118.80 1ux6 n ASP 938 Ca 0.07 -2.13 -0.04 0.00 -0.01 0.00 0.00 54.79 52.68 1ux6 n ASP 938 Cb 0.49 -0.42 -0.05 0.00 -1.03 0.00 0.00 41.12 40.10 1ux6 n ASP 938 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1ux6 n PHE 939 N -0.31 0.00 0.04 2.11 3.72 -1.26 -2.61 117.46 119.15 1ux6 n PHE 939 Ca 0.09 -0.76 0.03 0.00 -0.05 0.00 0.00 57.45 56.76 1ux6 n PHE 939 Cb 0.90 -0.78 0.07 0.00 -0.94 0.00 0.00 39.48 38.73 1ux6 n PHE 939 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1ux6 n ARG 940 N 2.22 1.78 -3.80 -1.08 1.85 -1.26 -4.88 116.66 111.50 1ux6 n ARG 940 Ca 0.14 -1.48 -0.27 0.00 -1.00 0.00 0.00 57.85 55.23 1ux6 n ARG 940 Cb 0.43 -1.15 -0.17 0.00 -1.05 0.00 0.00 32.46 30.53 1ux6 n ARG 940 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1ux6 s ARG 941 N -0.83 0.94 0.02 2.89 3.52 -1.07 -5.14 118.95 119.28 1ux6 s ARG 941 Ca 0.12 -0.43 0.06 0.00 -0.13 0.00 0.00 55.73 55.35 1ux6 s ARG 941 Cb 0.07 -1.98 -0.02 0.00 -1.56 0.00 0.00 34.95 31.46 1ux6 s ARG 941 CO 0.09 -0.54 -0.19 -0.06 -0.81 0.00 0.00 175.30 173.79 1ux6 s PHE 942 N 1.77 1.70 -0.33 5.12 0.40 -1.26 -4.22 117.98 121.16 1ux6 s PHE 942 Ca -0.00 -0.35 -0.08 0.00 -0.60 0.00 0.00 56.93 55.90 1ux6 s PHE 942 Cb -0.16 -1.05 0.02 0.00 0.51 0.00 0.00 43.02 42.34 1ux6 s PHE 942 CO -0.07 0.03 0.13 -1.14 0.70 0.00 0.00 175.22 174.87 1ux6 s GLN 943 N -0.82 2.94 -0.15 0.44 0.74 -0.43 -4.90 119.66 117.48 1ux6 s GLN 943 Ca 0.07 -0.98 -0.26 0.00 0.05 0.00 0.00 55.36 54.24 1ux6 s GLN 943 Cb -0.08 -3.53 -0.01 0.00 1.10 0.00 0.00 33.01 30.49 1ux6 s GLN 943 CO 0.01 -0.57 0.86 -1.64 -0.55 0.00 0.00 175.29 173.40 1ux6 s MET 944 N 1.51 4.32 -0.21 1.67 -1.94 -1.26 -1.44 119.30 121.96 1ux6 s MET 944 Ca 0.02 1.08 0.01 0.00 -1.71 0.00 0.00 55.69 55.08 1ux6 s MET 944 Cb -0.18 -3.56 0.05 0.00 2.01 0.00 0.00 34.83 33.14 1ux6 s MET 944 CO 0.04 -0.31 -0.07 0.42 -0.01 0.00 0.00 175.02 175.08 1ux6 s ILE 945 N 2.09 1.51 0.01 2.53 1.01 0.25 -4.98 121.20 123.61 1ux6 s ILE 945 Ca 0.40 -1.03 -0.30 0.00 0.00 0.00 0.00 60.65 59.72 1ux6 s ILE 945 Cb -0.17 -1.67 -0.05 0.00 0.01 0.00 0.00 42.46 40.58 1ux6 s ILE 945 CO 0.13 0.06 1.21 -2.16 0.00 0.00 0.00 174.94 174.18 1ux6 s PRO 946 N 1.44 4.39 0.01 2.79 0.04 -1.26 -0.16 135.00 142.25 1ux6 s PRO 946 Ca -0.03 1.74 0.28 0.00 0.04 0.00 0.00 61.00 63.03 1ux6 s PRO 946 Cb -0.17 -3.45 1.01 0.00 0.04 0.00 0.00 34.50 31.93 1ux6 s PRO 946 CO -0.07 -0.35 1.78 1.28 0.04 0.00 0.00 177.00 179.67 1ux6 n LEU 947 N 4.56 0.18 -3.19 -3.56 4.32 -0.27 -4.36 117.00 114.67 1ux6 n LEU 947 Ca 0.10 0.36 -0.20 0.00 -0.02 0.00 0.00 56.01 56.26 1ux6 n LEU 947 Cb 0.46 -0.42 -0.06 0.00 -1.62 0.00 0.00 43.42 41.78 1ux6 n LEU 947 CO 0.56 0.03 -0.18 -0.67 -1.22 0.00 0.00 177.39 175.90 1ux6 n ASP 948 N -1.54 -1.41 -0.41 -1.43 2.03 -1.25 -1.47 116.55 111.07 1ux6 n ASP 948 Ca 0.06 -2.56 0.04 0.00 0.52 0.00 0.00 54.79 52.86 1ux6 n ASP 948 Cb 0.34 0.18 0.12 0.00 -0.72 0.00 0.00 41.12 41.04 1ux6 n ASP 948 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1ux6 n PRO 949 N 2.82 1.51 -0.03 -0.67 -0.04 -1.26 -4.14 135.00 133.19 1ux6 n PRO 949 Ca 0.26 -0.80 -0.03 0.00 -0.04 0.00 0.00 63.50 62.89 1ux6 n PRO 949 Cb 0.51 -1.19 -0.01 0.00 -0.04 0.00 0.00 33.50 32.77 1ux6 n PRO 949 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ux6 n LYS 950 N 0.14 0.20 -1.35 0.54 4.76 -1.26 -5.02 118.16 116.16 1ux6 n LYS 950 Ca 0.08 0.08 -0.31 0.00 -2.87 0.00 0.00 58.31 55.29 1ux6 n LYS 950 Cb 0.19 -0.80 0.08 0.00 -1.84 0.00 0.00 35.03 32.67 1ux6 n LYS 950 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1ux6 s GLY 951 N -3.85 1.78 -0.21 0.72 0.00 -1.26 -4.99 107.32 99.52 1ux6 s GLY 951 Ca -0.11 0.33 0.18 0.00 0.00 0.00 0.00 44.72 45.12 1ux6 s GLY 951 CO 0.16 0.68 1.16 -1.30 0.00 0.00 0.00 173.10 173.81 1ux6 n THR 952 N -3.30 1.45 -0.35 0.90 -2.24 -1.26 -4.83 114.28 104.64 1ux6 n THR 952 Ca 0.09 -2.89 0.06 0.00 -2.27 0.00 0.00 64.05 59.05 1ux6 n THR 952 Cb 0.53 0.41 0.23 0.00 -2.10 0.00 0.00 70.33 69.40 1ux6 n THR 952 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1ux6 h SER 953 N 1.94 0.94 -5.12 3.42 0.87 -1.96 -3.43 113.55 110.21 1ux6 h SER 953 Ca -0.01 0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.46 1ux6 h SER 953 Cb 1.44 -0.16 -0.17 0.00 -0.44 0.00 0.00 62.40 63.07 1ux6 h SER 953 CO 0.29 0.53 -0.54 -1.10 -0.53 0.00 0.00 176.83 175.48 1ux6 s GLN 954 N -5.95 0.62 0.59 2.24 -0.21 -1.26 -5.07 119.66 110.61 1ux6 s GLN 954 Ca -0.12 -0.87 -0.20 0.00 0.02 0.00 0.00 55.36 54.19 1ux6 s GLN 954 Cb 0.22 0.24 -0.03 0.00 1.00 0.00 0.00 33.01 34.43 1ux6 s GLN 954 CO 0.81 -0.15 1.34 -0.80 -2.12 0.00 0.00 175.29 174.37 1ux6 s ASN 955 N -2.36 4.99 0.82 5.90 0.01 -1.26 -4.13 114.94 118.90 1ux6 s ASN 955 Ca -0.02 2.74 -0.11 0.00 -0.71 0.00 0.00 52.86 54.76 1ux6 s ASN 955 Cb 0.01 -2.63 0.08 0.00 0.41 0.00 0.00 41.25 39.12 1ux6 s ASN 955 CO -0.06 -1.76 1.09 -1.81 -1.51 0.00 0.00 177.10 173.05 1ux6 s ASP 956 N -1.09 4.16 0.50 -1.22 1.01 -1.26 -1.22 116.67 117.55 1ux6 s ASP 956 Ca 0.76 1.63 -0.22 0.00 0.71 0.00 0.00 52.55 55.43 1ux6 s ASP 956 Cb -0.40 -2.34 -0.08 0.00 1.01 0.00 0.00 42.92 41.12 1ux6 s ASP 956 CO 0.45 -2.23 1.06 -2.65 0.21 0.00 0.00 175.17 172.02 1ux6 n PRO 957 N -3.63 1.29 -3.87 8.23 -0.02 -1.26 -4.75 135.00 131.00 1ux6 n PRO 957 Ca 0.08 0.47 -0.27 0.00 -2.02 0.00 0.00 63.50 61.76 1ux6 n PRO 957 Cb 0.54 -2.19 -0.17 0.00 -0.02 0.00 0.00 33.50 31.67 1ux6 n PRO 957 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1ux6 s ASN 958 N -0.92 2.50 -0.01 2.55 2.47 -1.26 -5.03 114.94 115.25 1ux6 s ASN 958 Ca 0.68 -0.50 0.01 0.00 0.42 0.00 0.00 52.86 53.47 1ux6 s ASN 958 Cb -0.48 -0.81 -0.04 0.00 -1.45 0.00 0.00 41.25 38.47 1ux6 s ASN 958 CO 0.53 -0.18 0.01 0.26 -3.72 0.00 0.00 177.10 174.01 1ux6 s TRP 959 N 1.71 3.12 0.30 0.43 0.52 -1.26 -1.59 118.94 122.17 1ux6 s TRP 959 Ca 0.02 0.11 -0.05 0.00 0.02 0.00 0.00 56.10 56.21 1ux6 s TRP 959 Cb -0.14 -1.69 -0.00 0.00 -1.15 0.00 0.00 33.47 30.48 1ux6 s TRP 959 CO -0.08 0.48 0.43 0.14 0.02 0.00 0.00 176.95 177.94 1ux6 s VAL 960 N -1.08 0.00 0.15 4.03 -7.23 -0.11 -5.00 120.40 111.16 1ux6 s VAL 960 Ca 0.19 -1.61 0.07 0.00 -1.81 0.00 0.00 61.98 58.83 1ux6 s VAL 960 Cb -0.12 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 1ux6 s VAL 960 CO 0.10 0.00 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.04 1ux6 s VAL 961 N -3.43 1.62 -0.09 1.32 1.01 -1.26 -0.97 120.40 118.60 1ux6 s VAL 961 Ca 0.30 -1.85 -0.05 0.00 0.00 0.00 0.00 61.98 60.38 1ux6 s VAL 961 Cb 0.00 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.68 1ux6 s VAL 961 CO 0.17 -0.36 0.11 -0.62 0.00 0.00 0.00 175.10 174.39 1ux6 n GLU 967 N 0.37 -2.76 -3.28 2.72 -0.58 -1.26 -4.80 120.64 111.04 1ux6 n GLU 967 Ca -0.14 2.24 -0.40 0.00 -0.42 0.00 0.00 57.16 58.44 1ux6 n GLU 967 Cb 0.57 -2.84 -0.08 0.00 -0.57 0.00 0.00 31.44 28.52 1ux6 n GLU 967 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1ux6 s LEU 968 N -0.41 4.05 -0.02 -4.62 2.96 -0.11 -4.90 118.68 115.63 1ux6 s LEU 968 Ca -0.12 0.44 0.06 0.00 -0.22 0.00 0.00 54.13 54.29 1ux6 s LEU 968 Cb 0.01 -2.59 -0.02 0.00 0.50 0.00 0.00 46.19 44.09 1ux6 s LEU 968 CO 0.37 -0.26 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.26 1ux6 s VAL 969 N 2.23 2.56 -0.25 1.68 1.01 -0.14 -0.00 120.40 127.49 1ux6 s VAL 969 Ca 0.19 -1.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 1ux6 s VAL 969 Cb -0.16 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.25 1ux6 s VAL 969 CO 0.09 0.53 0.00 -1.58 0.00 0.00 0.00 175.10 174.15 1ux6 s GLN 970 N -0.84 3.18 0.00 2.72 -0.44 -0.57 -0.93 119.66 122.78 1ux6 s GLN 970 Ca 0.11 -0.77 0.24 0.00 -2.50 0.00 0.00 55.36 52.44 1ux6 s GLN 970 Cb -0.10 -3.15 0.28 0.00 -1.64 0.00 0.00 33.01 28.40 1ux6 s GLN 970 CO 0.01 -0.32 1.26 0.25 0.50 0.00 0.00 175.29 176.98 1ux6 n THR 971 N 4.80 0.00 -4.18 -0.34 -2.24 -0.62 -0.77 114.28 110.93 1ux6 n THR 971 Ca -0.16 -0.13 -0.30 0.00 -2.27 0.00 0.00 64.05 61.18 1ux6 n THR 971 Cb 0.49 0.79 -0.08 0.00 -2.10 0.00 0.00 70.33 69.42 1ux6 n THR 971 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ux6 s VAL 972 N -2.65 3.91 -1.39 2.28 1.01 -1.26 -4.07 120.40 118.23 1ux6 s VAL 972 Ca 0.17 -0.97 -0.15 0.00 0.00 0.00 0.00 61.98 61.03 1ux6 s VAL 972 Cb 0.18 -2.84 0.07 0.00 0.00 0.00 0.00 36.38 33.79 1ux6 s VAL 972 CO 0.63 0.16 2.03 -3.20 0.00 0.00 0.00 175.10 174.72 1ux6 n ASN 973 N 0.74 4.33 -4.92 3.32 5.15 -1.26 -3.52 115.26 119.10 1ux6 n ASN 973 Ca -0.12 -2.89 -0.21 0.00 -0.60 0.00 0.00 54.58 50.76 1ux6 n ASN 973 Cb 0.52 -1.66 0.07 0.00 -0.53 0.00 0.00 39.78 38.18 1ux6 n ASN 973 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1ux6 s SER 974 N 3.23 4.90 0.84 1.20 1.04 -1.26 -4.39 113.70 119.27 1ux6 s SER 974 Ca 0.48 -0.67 -0.12 0.00 0.48 0.00 0.00 55.95 56.12 1ux6 s SER 974 Cb 0.10 0.14 0.10 0.00 0.10 0.00 0.00 66.02 66.46 1ux6 s SER 974 CO -0.03 -1.47 1.11 -1.81 0.98 0.00 0.00 173.24 172.02 1ux6 s ASP 975 N -4.67 4.10 0.66 7.02 -0.00 -0.35 -0.58 116.67 122.85 1ux6 s ASP 975 Ca 0.63 1.23 -0.17 0.00 -0.00 0.00 0.00 52.55 54.23 1ux6 s ASP 975 Cb -0.06 -1.92 -0.00 0.00 -0.00 0.00 0.00 42.92 40.94 1ux6 s ASP 975 CO 0.40 -2.21 1.25 -2.16 -0.00 0.00 0.00 175.17 172.46 1ux6 s PRO 976 N -5.16 2.54 0.09 8.23 0.04 -1.26 -4.27 135.00 135.20 1ux6 s PRO 976 Ca 0.62 1.93 -0.26 0.00 0.04 0.00 0.00 61.00 63.33 1ux6 s PRO 976 Cb -0.15 -1.86 0.08 0.00 0.04 0.00 0.00 34.50 32.61 1ux6 s PRO 976 CO 0.54 -1.57 0.82 0.20 0.04 0.00 0.00 177.00 177.03 1ux6 s GLY 977 N -1.60 -0.42 0.18 0.56 0.00 -0.46 -1.11 107.32 104.47 1ux6 s GLY 977 Ca 0.79 0.60 0.07 0.00 0.00 0.00 0.00 44.72 46.18 1ux6 s GLY 977 CO 0.40 0.19 -0.13 1.08 0.00 0.00 0.00 173.10 174.63 1ux6 s LEU 978 N -2.68 2.54 -0.28 0.66 1.43 0.78 -2.09 118.68 119.04 1ux6 s LEU 978 Ca 0.06 -1.00 -0.03 0.00 -1.03 0.00 0.00 54.13 52.13 1ux6 s LEU 978 Cb -0.01 -0.59 0.09 0.00 0.03 0.00 0.00 46.19 45.71 1ux6 s LEU 978 CO -0.06 -0.20 0.11 0.00 0.23 0.00 0.00 176.35 176.42 1ux6 s ALA 979 N -2.98 1.01 -0.06 4.21 0.00 -0.83 -0.58 121.76 122.53 1ux6 s ALA 979 Ca 0.20 -1.24 -0.00 0.00 0.00 0.00 0.00 51.96 50.91 1ux6 s ALA 979 Cb -0.00 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 1ux6 s ALA 979 CO 0.05 -1.59 -0.03 0.14 0.00 0.00 0.00 175.76 174.34 1ux6 s VAL 980 N 1.89 4.05 1.09 0.00 -7.23 -0.52 0.46 120.40 120.13 1ux6 s VAL 980 Ca 0.08 -0.41 -0.17 0.00 -1.81 0.00 0.00 61.98 59.67 1ux6 s VAL 980 Cb -0.17 -2.71 0.24 0.00 0.56 0.00 0.00 36.38 34.31 1ux6 s VAL 980 CO -0.28 0.55 1.16 -0.83 -0.31 0.00 0.00 175.10 175.40 1ux6 s GLY 981 N -1.01 1.63 -0.10 2.32 0.00 0.16 -1.31 107.32 109.02 1ux6 s GLY 981 Ca 0.14 -0.91 -0.03 0.00 0.00 0.00 0.00 44.72 43.92 1ux6 s GLY 981 CO 0.04 -0.12 0.46 -1.82 0.00 0.00 0.00 173.10 171.66 1ux6 h TYR 982 N -2.16 0.39 -4.05 1.90 3.20 -1.86 -3.43 116.97 110.95 1ux6 h TYR 982 Ca -0.46 -0.28 -0.51 0.00 3.14 0.00 0.00 58.73 60.62 1ux6 h TYR 982 Cb 1.29 -0.02 0.07 0.00 1.54 0.00 0.00 36.73 39.62 1ux6 h TYR 982 CO -1.39 1.60 0.47 -0.51 -1.64 0.00 0.00 178.16 176.69 1ux6 s ASP 983 N -6.84 5.84 -0.02 -2.11 1.01 -1.26 -5.01 116.67 108.29 1ux6 s ASP 983 Ca -0.18 2.28 0.03 0.00 0.71 0.00 0.00 52.55 55.39 1ux6 s ASP 983 Cb 0.07 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.37 1ux6 s ASP 983 CO 0.79 -1.14 -0.08 -1.61 0.21 0.00 0.00 175.17 173.34 1ux6 s GLU 984 N -3.02 2.57 0.10 8.23 2.02 -1.26 -4.25 118.70 123.09 1ux6 s GLU 984 Ca 0.69 -0.69 0.04 0.00 0.02 0.00 0.00 54.97 55.03 1ux6 s GLU 984 Cb -0.27 -2.50 -0.04 0.00 0.10 0.00 0.00 34.13 31.42 1ux6 s GLU 984 CO 0.32 0.62 -0.11 -0.06 0.02 0.00 0.00 175.26 176.05 1ux6 s PHE 985 N -0.92 1.12 0.00 1.61 0.40 -0.10 -4.60 117.98 115.49 1ux6 s PHE 985 Ca 0.15 -0.65 0.00 0.00 -0.60 0.00 0.00 56.93 55.83 1ux6 s PHE 985 Cb -0.11 -0.60 0.00 0.00 0.51 0.00 0.00 43.02 42.82 1ux6 s PHE 985 CO 0.05 0.02 0.00 0.09 0.70 0.00 0.00 175.22 176.08 1ux6 n ASN 986 N 0.51 0.00 -4.76 1.36 4.13 -1.26 -1.19 115.26 114.05 1ux6 n ASN 986 Ca -0.16 0.00 -0.40 0.00 1.68 0.00 0.00 54.58 55.71 1ux6 n ASN 986 Cb 0.58 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.76 1ux6 n ASN 986 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ux6 s ALA 987 N -3.90 3.39 0.02 5.41 0.00 -1.26 -4.53 121.76 120.89 1ux6 s ALA 987 Ca 0.00 0.43 -0.26 0.00 0.00 0.00 0.00 51.96 52.13 1ux6 s ALA 987 Cb 0.00 -3.05 0.06 0.00 0.00 0.00 0.00 23.12 20.13 1ux6 s ALA 987 CO 0.00 0.21 0.59 0.54 0.00 0.00 0.00 175.76 177.10 1ux6 s VAL 988 N -0.88 0.01 -0.14 0.00 0.11 -0.69 -1.69 120.40 117.12 1ux6 s VAL 988 Ca 0.38 -0.12 0.01 0.00 -2.93 0.00 0.00 61.98 59.32 1ux6 s VAL 988 Cb -0.23 -0.96 -0.00 0.00 -1.53 0.00 0.00 36.38 33.65 1ux6 s VAL 988 CO 0.27 -0.07 -0.16 -1.81 -3.33 0.00 0.00 175.10 170.01 1ux6 s ASP 989 N -1.69 3.66 -0.06 3.54 1.01 -0.28 -1.40 116.67 121.45 1ux6 s ASP 989 Ca -0.08 -0.45 0.02 0.00 0.71 0.00 0.00 52.55 52.76 1ux6 s ASP 989 Cb -0.01 -1.55 0.01 0.00 1.01 0.00 0.00 42.92 42.38 1ux6 s ASP 989 CO 0.02 0.11 -0.13 0.12 0.21 0.00 0.00 175.17 175.51 1ux6 s PHE 990 N 0.67 1.49 0.06 4.23 5.36 0.58 -1.57 117.98 128.80 1ux6 s PHE 990 Ca -0.08 -0.54 0.02 0.00 -0.96 0.00 0.00 56.93 55.37 1ux6 s PHE 990 Cb -0.16 -1.08 -0.03 0.00 -0.34 0.00 0.00 43.02 41.41 1ux6 s PHE 990 CO 0.02 -0.27 -0.08 -1.54 -1.46 0.00 0.00 175.22 171.89 1ux6 s SER 991 N 0.61 0.98 0.17 6.13 1.04 -0.31 0.56 113.70 122.87 1ux6 s SER 991 Ca -0.14 -0.68 -0.23 0.00 0.48 0.00 0.00 55.95 55.38 1ux6 s SER 991 Cb -0.15 0.05 0.08 0.00 0.10 0.00 0.00 66.02 66.09 1ux6 s SER 991 CO 0.04 -0.27 1.03 -0.83 0.98 0.00 0.00 173.24 174.19 1ux6 s GLY 992 N -1.98 0.00 -0.02 7.32 0.00 -0.90 -0.94 107.32 110.80 1ux6 s GLY 992 Ca -0.04 -0.17 0.03 0.00 0.00 0.00 0.00 44.72 44.54 1ux6 s GLY 992 CO -0.01 1.75 -0.12 -1.59 0.00 0.00 0.00 173.10 173.13 1ux6 s THR 993 N -2.45 0.99 0.05 0.90 2.01 -0.68 -0.50 115.64 115.96 1ux6 s THR 993 Ca 0.19 -0.50 0.05 0.00 0.31 0.00 0.00 61.69 61.74 1ux6 s THR 993 Cb -0.02 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.61 1ux6 s THR 993 CO 0.04 0.29 -0.13 0.72 -0.69 0.00 0.00 174.62 174.85 1ux6 s PHE 994 N -0.05 1.16 -0.06 4.92 -0.12 -0.68 -1.01 117.98 122.15 1ux6 s PHE 994 Ca 0.00 -0.40 -0.02 0.00 -0.05 0.00 0.00 56.93 56.46 1ux6 s PHE 994 Cb -0.07 -0.67 0.04 0.00 -0.63 0.00 0.00 43.02 41.68 1ux6 s PHE 994 CO 0.00 0.04 0.12 0.12 -0.05 0.00 0.00 175.22 175.45 1ux6 s PHE 995 N -1.05 -0.11 -0.60 3.49 5.36 0.30 -1.82 117.98 123.54 1ux6 s PHE 995 Ca -0.01 0.41 -0.18 0.00 -0.96 0.00 0.00 56.93 56.19 1ux6 s PHE 995 Cb -0.09 -0.17 0.11 0.00 -0.34 0.00 0.00 43.02 42.53 1ux6 s PHE 995 CO 0.02 -0.17 0.69 0.42 -1.46 0.00 0.00 175.22 174.72 1ux6 s ILE 996 N 1.41 4.89 -0.84 3.12 -1.09 -1.26 -0.18 121.20 127.24 1ux6 s ILE 996 Ca -0.06 -1.12 -0.08 0.00 -2.23 0.00 0.00 60.65 57.16 1ux6 s ILE 996 Cb -0.12 -4.48 -0.16 0.00 -1.58 0.00 0.00 42.46 36.12 1ux6 s ILE 996 CO -0.05 -1.11 3.25 -3.20 -1.23 0.00 0.00 174.94 172.60 1ux6 n ASN 997 N 6.14 7.07 0.00 3.58 5.15 -0.71 -1.14 115.26 135.35 1ux6 n ASN 997 Ca -0.09 -2.57 0.00 0.00 -0.60 0.00 0.00 54.58 51.33 1ux6 n ASN 997 Cb 0.42 -1.48 0.00 0.00 -0.53 0.00 0.00 39.78 38.19 1ux6 n ASN 997 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1ux6 n THR 998 N 2.94 0.00 1.07 -0.44 5.66 -1.26 -4.96 114.28 117.29 1ux6 n THR 998 Ca 0.61 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.73 1ux6 n THR 998 Cb 0.56 0.00 0.13 0.00 -1.55 0.00 0.00 70.33 69.47 1ux6 n THR 998 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1ux6 n GLU 999 N -0.10 0.53 -2.21 1.09 0.28 -1.26 -4.37 120.64 114.60 1ux6 n GLU 999 Ca 0.00 -0.38 -0.41 0.00 -0.16 0.00 0.00 57.16 56.21 1ux6 n GLU 999 Cb 0.00 -1.49 -0.03 0.00 1.43 0.00 0.00 31.44 31.35 1ux6 n GLU 999 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1ux6 s ARG 1000N -2.74 4.41 0.29 3.44 3.52 -1.26 -4.84 118.95 121.77 1ux6 s ARG 1000Ca 0.16 2.09 0.00 0.00 -0.13 0.00 0.00 55.73 57.85 1ux6 s ARG 1000Cb 0.18 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 30.43 1ux6 s ARG 1000CO 0.66 -0.16 0.00 -3.47 -0.81 0.00 0.00 175.30 171.52 1ux6 n ASP 1001N 1.67 -5.00 -2.73 -2.12 -0.08 -1.26 -4.84 116.55 102.19 1ux6 n ASP 1001Ca 0.03 0.61 -0.04 0.00 -1.51 0.00 0.00 54.79 53.87 1ux6 n ASP 1001Cb 0.43 -2.71 0.08 0.00 2.34 0.00 0.00 41.12 41.25 1ux6 n ASP 1001CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1ux6 n ASP 1002N -3.54 0.14 0.00 1.67 5.68 -1.26 -5.02 116.55 114.22 1ux6 n ASP 1002Ca -0.02 -2.33 0.00 0.00 -0.50 0.00 0.00 54.79 51.94 1ux6 n ASP 1002Cb 0.39 0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 1ux6 n ASP 1002CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1ux6 n ASP 1003N -0.69 0.00 -4.88 -1.12 8.00 -1.26 -2.32 116.55 114.29 1ux6 n ASP 1003Ca -0.00 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.13 1ux6 n ASP 1003Cb 0.83 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.88 1ux6 n ASP 1003CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1ux6 s TYR 1004N 4.68 3.61 -0.03 1.24 1.51 -0.90 -3.24 117.35 124.23 1ux6 s TYR 1004Ca 0.00 0.61 -0.07 0.00 -1.01 0.00 0.00 57.07 56.60 1ux6 s TYR 1004Cb 0.00 -2.00 0.01 0.00 -0.11 0.00 0.00 41.96 39.85 1ux6 s TYR 1004CO 0.00 0.68 0.15 0.00 -1.11 0.00 0.00 175.55 175.27 1ux6 s ALA 1005N -1.14 -0.37 0.00 3.71 0.00 -1.11 -2.45 121.76 120.41 1ux6 s ALA 1005Ca 0.21 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.34 1ux6 s ALA 1005Cb -0.13 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.90 1ux6 s ALA 1005CO 0.10 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.13 1ux6 n GLY 1006N 2.24 -0.72 3.67 0.00 0.00 -0.34 -0.95 105.19 109.08 1ux6 n GLY 1006Ca -0.17 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.37 1ux6 n GLY 1006CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ux6 s PHE 1007N -3.63 0.12 0.16 1.61 -0.12 -0.13 -1.20 117.98 114.79 1ux6 s PHE 1007Ca 0.00 -0.52 0.05 0.00 -0.05 0.00 0.00 56.93 56.41 1ux6 s PHE 1007Cb 0.00 0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 42.73 1ux6 s PHE 1007CO 0.00 -1.07 -0.11 0.14 -0.05 0.00 0.00 175.22 174.13 1ux6 s VAL 1008N -3.97 1.26 0.17 -2.49 -7.23 -0.15 -0.68 120.40 107.31 1ux6 s VAL 1008Ca 0.17 -2.08 -0.16 0.00 -1.81 0.00 0.00 61.98 58.10 1ux6 s VAL 1008Cb -0.02 -1.87 0.03 0.00 0.56 0.00 0.00 36.38 35.07 1ux6 s VAL 1008CO 0.07 -0.72 0.46 0.72 -0.31 0.00 0.00 175.10 175.32 1ux6 s PHE 1009N -3.25 -0.11 -1.62 2.82 -0.12 -1.04 -1.47 117.98 113.18 1ux6 s PHE 1009Ca 0.17 -0.22 0.00 0.00 -0.05 0.00 0.00 56.93 56.84 1ux6 s PHE 1009Cb 0.02 0.31 0.00 0.00 -0.63 0.00 0.00 43.02 42.72 1ux6 s PHE 1009CO 0.02 -0.82 0.00 0.41 -0.05 0.00 0.00 175.22 174.78 1ux6 n GLY 1010N -0.29 0.33 3.71 1.99 0.00 -0.83 -1.89 105.19 108.21 1ux6 n GLY 1010Ca -0.12 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 1ux6 n GLY 1010CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ux6 s TYR 1011N -2.80 3.31 0.00 1.61 5.04 -0.56 -4.25 117.35 119.70 1ux6 s TYR 1011Ca 0.00 1.13 0.00 0.00 -2.44 0.00 0.00 57.07 55.76 1ux6 s TYR 1011Cb 0.00 -3.53 0.00 0.00 0.35 0.00 0.00 41.96 38.78 1ux6 s TYR 1011CO 0.00 -1.77 0.00 1.04 -1.34 0.00 0.00 175.55 173.48 1ux6 n GLN 1012N 4.12 0.16 -3.94 4.97 6.02 0.26 -0.92 117.38 128.04 1ux6 n GLN 1012Ca 0.10 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.99 1ux6 n GLN 1012Cb 0.45 -0.89 -0.02 0.00 1.02 0.00 0.00 30.24 30.79 1ux6 n GLN 1012CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1ux6 s SER 1013N -3.72 0.15 0.00 1.08 1.04 -0.99 -4.35 113.70 106.91 1ux6 s SER 1013Ca 0.00 -1.07 0.20 0.00 0.48 0.00 0.00 55.95 55.56 1ux6 s SER 1013Cb 0.00 0.71 1.17 0.00 0.10 0.00 0.00 66.02 68.00 1ux6 s SER 1013CO 0.00 -1.38 1.58 -1.54 0.98 0.00 0.00 173.24 172.88 1ux6 n SER 1014N -0.95 0.00 -0.04 7.02 3.41 0.02 -1.60 113.62 121.48 1ux6 n SER 1014Ca -0.03 -0.73 0.01 0.00 -0.26 0.00 0.00 58.87 57.85 1ux6 n SER 1014Cb 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1ux6 n SER 1014CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ux6 n SER 1015N -0.96 0.94 -3.62 4.04 7.64 -1.26 -4.31 113.62 116.10 1ux6 n SER 1015Ca 0.15 -0.97 -0.27 0.00 1.01 0.00 0.00 58.87 58.78 1ux6 n SER 1015Cb 0.07 0.16 -0.16 0.00 -1.01 0.00 0.00 64.21 63.27 1ux6 n SER 1015CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1ux6 s ARG 1016N -0.27 0.23 -0.18 1.43 0.52 -0.63 -1.67 118.95 118.39 1ux6 s ARG 1016Ca 0.01 -0.34 -0.35 0.00 -0.52 0.00 0.00 55.73 54.54 1ux6 s ARG 1016Cb 0.01 -1.68 0.14 0.00 0.52 0.00 0.00 34.95 33.94 1ux6 s ARG 1016CO 0.02 -0.79 1.26 -0.59 0.02 0.00 0.00 175.30 175.22 1ux6 s PHE 1017N 2.05 -0.09 0.01 -0.53 -0.12 -1.08 -0.57 117.98 117.65 1ux6 s PHE 1017Ca 0.04 0.04 -0.04 0.00 -0.05 0.00 0.00 56.93 56.92 1ux6 s PHE 1017Cb -0.16 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.70 1ux6 s PHE 1017CO -0.19 -0.17 0.22 0.71 -0.05 0.00 0.00 175.22 175.75 1ux6 s TYR 1018N -2.33 3.55 -0.01 3.49 1.51 -0.79 -0.38 117.35 122.39 1ux6 s TYR 1018Ca 0.11 0.44 0.01 0.00 -1.01 0.00 0.00 57.07 56.61 1ux6 s TYR 1018Cb 0.00 -1.89 0.00 0.00 -0.11 0.00 0.00 41.96 39.96 1ux6 s TYR 1018CO -0.04 0.62 -0.02 0.54 -1.11 0.00 0.00 175.55 175.54 1ux6 s VAL 1019N -1.34 0.20 -0.18 0.71 0.11 0.21 -2.51 120.40 117.60 1ux6 s VAL 1019Ca 0.28 -0.07 -0.01 0.00 -2.93 0.00 0.00 61.98 59.26 1ux6 s VAL 1019Cb -0.13 -0.19 0.00 0.00 -1.53 0.00 0.00 36.38 34.53 1ux6 s VAL 1019CO 0.18 0.07 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.20 1ux6 s VAL 1020N 0.15 2.64 0.10 2.04 1.01 0.15 -0.58 120.40 125.91 1ux6 s VAL 1020Ca -0.01 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.25 1ux6 s VAL 1020Cb -0.04 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1ux6 s VAL 1020CO -0.00 0.50 -0.10 0.00 0.00 0.00 0.00 175.10 175.50 1ux6 s MET 1021N 1.16 0.85 -0.06 2.72 0.23 -0.76 -0.95 119.30 122.48 1ux6 s MET 1021Ca 0.01 -1.18 -0.00 0.00 -1.03 0.00 0.00 55.69 53.49 1ux6 s MET 1021Cb -0.14 -0.49 0.03 0.00 -1.53 0.00 0.00 34.83 32.69 1ux6 s MET 1021CO -0.06 0.07 -0.02 -0.46 -2.03 0.00 0.00 175.02 172.52 1ux6 s TRP 1022N -2.60 0.72 0.02 3.16 -0.11 -0.13 -0.70 118.94 119.31 1ux6 s TRP 1022Ca 0.06 -0.20 0.03 0.00 1.22 0.00 0.00 56.10 57.21 1ux6 s TRP 1022Cb -0.02 -0.74 -0.04 0.00 -1.50 0.00 0.00 33.47 31.17 1ux6 s TRP 1022CO -0.00 -0.27 -0.04 0.21 -4.62 0.00 0.00 176.95 172.23 1ux6 s LYS 1023N 1.45 2.60 -0.08 5.86 2.20 -1.11 -2.75 119.74 127.91 1ux6 s LYS 1023Ca -0.03 -0.72 -0.25 0.00 -0.36 0.00 0.00 55.97 54.61 1ux6 s LYS 1023Cb -0.13 -2.55 -0.28 0.00 -1.51 0.00 0.00 37.83 33.36 1ux6 s LYS 1023CO -0.03 0.59 0.87 0.37 -0.36 0.00 0.00 175.35 176.80 1ux6 h GLN 1024N 4.25 0.18 -4.62 4.03 4.15 -1.43 -1.34 115.11 120.34 1ux6 h GLN 1024Ca -0.48 -0.29 -0.36 0.00 0.77 0.00 0.00 58.65 58.28 1ux6 h GLN 1024Cb 1.17 0.10 -0.28 0.00 0.21 0.00 0.00 27.48 28.69 1ux6 h GLN 1024CO 0.56 1.12 -0.77 0.08 -1.93 0.00 0.00 178.83 177.89 1ux6 s VAL 1025N -2.45 0.62 0.33 2.39 1.01 -1.09 -4.12 120.40 117.09 1ux6 s VAL 1025Ca -0.16 -0.45 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 1ux6 s VAL 1025Cb -0.00 -0.55 -0.11 0.00 0.00 0.00 0.00 36.38 35.71 1ux6 s VAL 1025CO 0.77 0.10 1.54 0.41 0.00 0.00 0.00 175.10 177.92 1ux6 n THR 1026N 2.68 1.44 -3.64 3.92 -1.04 -1.26 -4.41 114.28 111.97 1ux6 n THR 1026Ca -0.14 -0.36 -0.08 0.00 -2.04 0.00 0.00 64.05 61.42 1ux6 n THR 1026Cb 0.57 -1.94 -0.07 0.00 -1.82 0.00 0.00 70.33 67.07 1ux6 n THR 1026CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1ux6 s GLN 1027N -1.17 0.59 0.23 -2.82 0.74 0.15 -4.90 119.66 112.48 1ux6 s GLN 1027Ca 0.60 0.82 -0.24 0.00 0.05 0.00 0.00 55.36 56.58 1ux6 s GLN 1027Cb -0.50 0.23 -0.09 0.00 1.10 0.00 0.00 33.01 33.75 1ux6 s GLN 1027CO 0.55 -0.09 0.83 -1.12 -0.55 0.00 0.00 175.29 174.91 1ux6 s SER 1028N 0.77 7.31 0.13 6.67 0.01 -1.26 -1.65 113.70 125.67 1ux6 s SER 1028Ca -0.03 1.67 -0.31 0.00 1.31 0.00 0.00 55.95 58.59 1ux6 s SER 1028Cb -0.05 -2.51 -0.09 0.00 0.21 0.00 0.00 66.02 63.58 1ux6 s SER 1028CO -0.09 0.08 1.52 -0.47 0.41 0.00 0.00 173.24 174.68 1ux6 s TYR 1029N -1.39 3.01 0.62 2.43 5.04 0.49 -4.88 117.35 122.67 1ux6 s TYR 1029Ca 0.42 0.69 0.33 0.00 -2.44 0.00 0.00 57.07 56.08 1ux6 s TYR 1029Cb -0.20 -3.84 1.87 0.00 0.35 0.00 0.00 41.96 40.14 1ux6 s TYR 1029CO 0.25 -3.11 2.17 0.11 -1.34 0.00 0.00 175.55 173.63 1ux6 h TRP 1030N 7.09 0.00 -3.36 4.97 0.09 -1.94 -3.37 115.95 119.42 1ux6 h TRP 1030Ca -0.42 0.00 -0.73 0.00 0.09 0.00 0.00 58.89 57.83 1ux6 h TRP 1030Cb 1.20 0.00 -0.26 0.00 0.08 0.00 0.00 29.16 30.18 1ux6 h TRP 1030CO 0.68 0.00 -0.40 0.34 0.09 0.00 0.00 178.44 179.15 1ux6 s ASP 1031N -5.50 5.84 0.10 0.11 3.68 -1.26 -4.93 116.67 114.70 1ux6 s ASP 1031Ca -0.05 -1.54 0.12 0.00 2.13 0.00 0.00 52.55 53.21 1ux6 s ASP 1031Cb 0.14 -2.06 0.54 0.00 -1.45 0.00 0.00 42.92 40.08 1ux6 s ASP 1031CO 0.47 -0.62 1.36 0.35 0.13 0.00 0.00 175.17 176.87 1ux6 n THR 1032N 5.02 1.36 -3.91 1.71 -2.24 -1.26 -4.60 114.28 110.37 1ux6 n THR 1032Ca -0.11 0.43 -0.36 0.00 -2.27 0.00 0.00 64.05 61.75 1ux6 n THR 1032Cb 0.43 -1.35 -0.06 0.00 -2.10 0.00 0.00 70.33 67.25 1ux6 n THR 1032CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ux6 s ASN 1033N -3.37 6.32 0.30 3.42 3.84 -1.26 -2.48 114.94 121.71 1ux6 s ASN 1033Ca 0.02 0.41 0.15 0.00 0.21 0.00 0.00 52.86 53.65 1ux6 s ASN 1033Cb 0.05 -2.01 0.37 0.00 -0.55 0.00 0.00 41.25 39.11 1ux6 s ASN 1033CO 0.17 0.36 1.59 -0.65 -2.79 0.00 0.00 177.10 175.78 1ux6 h PRO 1034N 4.61 0.00 -3.96 0.43 0.11 -1.81 -3.48 132.00 127.90 1ux6 h PRO 1034Ca -0.53 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.41 1ux6 h PRO 1034Cb 1.21 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.11 1ux6 h PRO 1034CO 0.61 0.53 -0.70 0.95 -0.21 0.00 0.00 178.00 179.18 1ux6 s THR 1035N -3.36 0.10 0.20 -1.15 -4.23 -1.04 -5.12 115.64 101.04 1ux6 s THR 1035Ca 0.01 -0.84 -0.31 0.00 -1.18 0.00 0.00 61.69 59.37 1ux6 s THR 1035Cb 0.10 -0.24 -0.10 0.00 1.34 0.00 0.00 72.50 73.60 1ux6 s THR 1035CO 0.73 -0.46 1.50 -0.13 -0.54 0.00 0.00 174.62 175.72 1ux6 s ARG 1036N -1.35 4.24 -0.06 3.99 0.52 -1.16 -4.73 118.95 120.40 1ux6 s ARG 1036Ca -0.15 2.32 -0.00 0.00 -0.52 0.00 0.00 55.73 57.38 1ux6 s ARG 1036Cb -0.09 -3.14 0.02 0.00 0.52 0.00 0.00 34.95 32.26 1ux6 s ARG 1036CO -0.01 -0.52 -0.02 0.00 0.02 0.00 0.00 175.30 174.77 1ux6 s ALA 1037N 0.62 0.69 -0.20 2.13 0.00 -1.26 -4.96 121.76 118.77 1ux6 s ALA 1037Ca 0.65 -0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.53 1ux6 s ALA 1037Cb -0.43 -0.57 0.03 0.00 0.00 0.00 0.00 23.12 22.16 1ux6 s ALA 1037CO 0.37 -0.22 -0.16 -1.14 0.00 0.00 0.00 175.76 174.61 1ux6 s GLN 1038N 1.39 2.65 -0.34 0.00 0.74 -1.26 -0.38 119.66 122.46 1ux6 s GLN 1038Ca -0.04 -0.96 -0.13 0.00 0.05 0.00 0.00 55.36 54.29 1ux6 s GLN 1038Cb -0.13 -2.62 -0.02 0.00 1.10 0.00 0.00 33.01 31.34 1ux6 s GLN 1038CO -0.03 -0.33 0.23 0.20 -0.55 0.00 0.00 175.29 174.81 1ux6 s GLY 1039N 1.26 1.96 0.32 2.59 0.00 -0.66 -1.29 107.32 111.50 1ux6 s GLY 1039Ca 0.01 -1.38 -0.15 0.00 0.00 0.00 0.00 44.72 43.19 1ux6 s GLY 1039CO -0.10 0.77 0.74 -0.19 0.00 0.00 0.00 173.10 174.31 1ux6 s TYR 1040N 1.71 3.37 0.66 1.90 1.51 -1.26 -0.68 117.35 124.56 1ux6 s TYR 1040Ca 0.06 1.22 -0.17 0.00 -1.01 0.00 0.00 57.07 57.17 1ux6 s TYR 1040Cb -0.17 -2.54 -0.00 0.00 -0.11 0.00 0.00 41.96 39.14 1ux6 s TYR 1040CO 0.10 0.09 1.22 -1.54 -1.11 0.00 0.00 175.55 174.31 1ux6 s SER 1041N -2.28 4.72 0.00 2.29 1.04 -1.26 -4.60 113.70 113.62 1ux6 s SER 1041Ca 0.54 2.39 0.00 0.00 0.48 0.00 0.00 55.95 59.37 1ux6 s SER 1041Cb -0.10 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1ux6 s SER 1041CO 0.17 -1.91 0.00 0.61 0.98 0.00 0.00 173.24 173.09 1ux6 n GLY 1042N 0.47 2.74 3.74 7.32 0.00 -0.50 -4.32 105.19 114.64 1ux6 n GLY 1042Ca 0.14 -2.08 -0.40 0.00 0.00 0.00 0.00 46.02 43.67 1ux6 n GLY 1042CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ux6 s LEU 1043N 0.00 4.57 0.04 0.99 2.96 -1.26 -2.74 118.68 123.24 1ux6 s LEU 1043Ca 0.00 1.83 0.03 0.00 -0.22 0.00 0.00 54.13 55.77 1ux6 s LEU 1043Cb 0.00 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.11 1ux6 s LEU 1043CO 0.00 0.06 -0.09 -0.44 -1.32 0.00 0.00 176.35 174.56 1ux6 s SER 1044N -0.60 0.98 -0.16 3.68 0.01 0.12 -1.41 113.70 116.32 1ux6 s SER 1044Ca 0.43 -0.48 0.02 0.00 1.31 0.00 0.00 55.95 57.22 1ux6 s SER 1044Cb -0.24 -0.00 0.02 0.00 0.21 0.00 0.00 66.02 66.00 1ux6 s SER 1044CO 0.30 -0.13 -0.21 -0.69 0.41 0.00 0.00 173.24 172.93 1ux6 s VAL 1045N -1.14 2.09 0.13 3.43 1.01 0.14 -1.84 120.40 124.23 1ux6 s VAL 1045Ca -0.06 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.01 1ux6 s VAL 1045Cb -0.09 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 1ux6 s VAL 1045CO 0.01 0.54 -0.11 -0.54 0.00 0.00 0.00 175.10 175.00 1ux6 s LYS 1046N 1.08 1.01 -0.11 2.72 1.02 0.26 0.06 119.74 125.77 1ux6 s LYS 1046Ca -0.00 -1.36 0.04 0.00 0.02 0.00 0.00 55.97 54.66 1ux6 s LYS 1046Cb -0.14 -0.63 0.00 0.00 -0.52 0.00 0.00 37.83 36.54 1ux6 s LYS 1046CO -0.08 0.09 -0.23 0.54 -0.92 0.00 0.00 175.35 174.74 1ux6 s VAL 1047N -3.00 2.05 -0.20 3.17 0.11 -0.01 -0.62 120.40 121.90 1ux6 s VAL 1047Ca 0.13 -1.01 -0.08 0.00 -2.93 0.00 0.00 61.98 58.10 1ux6 s VAL 1047Cb 0.01 -1.78 -0.04 0.00 -1.53 0.00 0.00 36.38 33.03 1ux6 s VAL 1047CO 0.01 0.56 0.08 -0.69 -3.33 0.00 0.00 175.10 171.73 1ux6 s VAL 1048N 0.45 4.85 -0.44 2.04 1.01 0.48 -2.00 120.40 126.79 1ux6 s VAL 1048Ca -0.16 -0.01 0.05 0.00 0.00 0.00 0.00 61.98 61.86 1ux6 s VAL 1048Cb -0.17 -3.21 0.19 0.00 0.00 0.00 0.00 36.38 33.18 1ux6 s VAL 1048CO 0.07 0.42 0.48 1.17 0.00 0.00 0.00 175.10 177.24 1ux6 n LYS 1049N 3.86 0.36 -2.75 2.72 4.81 -0.51 -2.63 118.16 124.01 1ux6 n LYS 1049Ca -0.16 -2.85 -0.40 0.00 -0.87 0.00 0.00 58.31 54.03 1ux6 n LYS 1049Cb 0.52 -1.55 -0.05 0.00 0.02 0.00 0.00 35.03 33.96 1ux6 n LYS 1049CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1ux6 s SER 1050N -0.02 7.58 0.00 3.14 0.15 -0.67 -3.90 113.70 119.98 1ux6 s SER 1050Ca 0.33 1.88 0.25 0.00 0.70 0.00 0.00 55.95 59.10 1ux6 s SER 1050Cb 0.06 -2.60 0.47 0.00 -1.71 0.00 0.00 66.02 62.24 1ux6 s SER 1050CO -0.16 0.08 1.38 0.35 1.20 0.00 0.00 173.24 176.10 1ux6 n THR 1051N 1.97 0.00 -0.01 6.45 -2.24 -0.58 -4.26 114.28 115.61 1ux6 n THR 1051Ca -0.01 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1ux6 n THR 1051Cb 0.48 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 69.05 1ux6 n THR 1051CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ux6 n THR 1052N -1.30 0.13 -2.37 4.28 -2.24 -1.26 -5.14 114.28 106.37 1ux6 n THR 1052Ca 0.07 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1ux6 n THR 1052Cb 0.34 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1ux6 n THR 1052CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ux6 n GLY 1053N 2.51 -2.20 3.54 3.38 0.00 -1.26 -4.87 105.19 106.28 1ux6 n GLY 1053Ca -0.03 -1.52 -0.51 0.00 0.00 0.00 0.00 46.02 43.96 1ux6 n GLY 1053CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ux6 n PRO 1054N -0.33 0.77 -3.97 1.61 -0.02 -1.26 -4.46 135.00 127.33 1ux6 n PRO 1054Ca 0.00 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1ux6 n PRO 1054Cb 0.00 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1ux6 n PRO 1054CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ux6 n GLY 1055N 1.94 -1.69 0.27 -1.23 0.00 -0.54 -4.72 105.19 99.23 1ux6 n GLY 1055Ca 0.17 -1.24 -0.03 0.00 0.00 0.00 0.00 46.02 44.92 1ux6 n GLY 1055CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ux6 h GLU 1056N 0.00 0.62 -0.19 1.61 3.07 -1.89 -1.21 114.58 116.60 1ux6 h GLU 1056Ca 0.00 -0.17 -0.02 0.00 -0.50 0.00 0.00 59.36 58.68 1ux6 h GLU 1056Cb 0.00 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 1ux6 h GLU 1056CO 0.00 0.68 0.05 0.45 -1.40 0.00 0.00 179.01 178.80 1ux6 h HIS 1057N 0.58 0.31 -0.50 4.33 3.86 -1.93 -2.34 115.15 119.45 1ux6 h HIS 1057Ca 0.11 -0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.20 1ux6 h HIS 1057Cb 0.45 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 1ux6 h HIS 1057CO 0.02 0.40 -0.04 1.25 0.86 0.00 0.00 177.93 180.42 1ux6 h LEU 1058N 0.12 0.85 0.11 2.43 5.85 -1.75 -2.69 115.31 120.23 1ux6 h LEU 1058Ca 0.06 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.56 1ux6 h LEU 1058Cb 0.25 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1ux6 h LEU 1058CO -0.00 0.93 -0.50 -0.09 -0.34 0.00 0.00 178.44 178.44 1ux6 h ARG 1059N 0.80 -0.68 -0.69 1.25 2.43 -0.94 -0.37 114.38 116.18 1ux6 h ARG 1059Ca 0.14 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1ux6 h ARG 1059Cb 0.53 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 1ux6 h ARG 1059CO 0.03 -0.46 0.34 -0.91 -1.51 0.00 0.00 179.97 177.46 1ux6 h ASN 1060N -0.71 0.88 -0.82 -3.80 4.21 -1.45 -2.77 115.58 111.13 1ux6 h ASN 1060Ca -0.01 -0.09 -0.02 0.00 1.21 0.00 0.00 56.30 57.39 1ux6 h ASN 1060Cb 0.71 -0.23 -0.04 0.00 -1.12 0.00 0.00 38.32 37.65 1ux6 h ASN 1060CO -0.27 0.75 0.43 0.00 -1.29 0.00 0.00 177.43 177.05 1ux6 h ALA 1061N 1.39 1.21 -0.24 -0.83 0.00 -1.09 -1.57 119.26 118.12 1ux6 h ALA 1061Ca 0.24 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1ux6 h ALA 1061Cb 0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1ux6 h ALA 1061CO -0.03 0.63 -0.16 -0.07 0.00 0.00 0.00 179.25 179.62 1ux6 h LEU 1062N 1.16 0.40 -0.20 0.00 3.38 -0.80 -3.03 115.31 116.21 1ux6 h LEU 1062Ca 0.29 -0.11 -0.22 0.00 0.09 0.00 0.00 57.88 57.93 1ux6 h LEU 1062Cb 0.06 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.71 1ux6 h LEU 1062CO -0.04 0.58 -0.80 -0.25 0.09 0.00 0.00 178.44 178.02 1ux6 h TRP 1063N 0.38 0.93 -2.75 1.13 2.91 -1.22 -3.45 115.95 113.87 1ux6 h TRP 1063Ca 0.07 -0.42 -0.53 0.00 1.13 0.00 0.00 58.89 59.14 1ux6 h TRP 1063Cb 0.50 -0.14 0.03 0.00 -0.51 0.00 0.00 29.16 29.05 1ux6 h TRP 1063CO 0.01 1.24 0.94 -1.58 -1.03 0.00 0.00 178.44 178.02 1ux6 s HIS 1064N -3.65 2.70 -1.06 2.65 2.46 -0.65 -3.70 115.29 114.04 1ux6 s HIS 1064Ca -0.09 0.47 -0.19 0.00 0.47 0.00 0.00 55.06 55.72 1ux6 s HIS 1064Cb 0.09 -3.93 0.10 0.00 -0.13 0.00 0.00 32.58 28.71 1ux6 s HIS 1064CO 0.89 -3.61 1.38 0.99 -2.47 0.00 0.00 174.74 171.92 1ux6 s THR 1065N 2.02 4.40 -5.00 0.89 2.01 -0.41 -4.76 115.64 114.79 1ux6 s THR 1065Ca 0.72 -1.51 0.00 0.00 0.31 0.00 0.00 61.69 61.20 1ux6 s THR 1065Cb -0.41 -4.96 0.00 0.00 0.01 0.00 0.00 72.50 67.14 1ux6 s THR 1065CO 0.32 -1.76 0.00 0.61 -0.69 0.00 0.00 174.62 173.10 1ux6 n GLY 1066N 5.75 -0.16 3.72 4.40 0.00 -1.26 -4.94 105.19 112.69 1ux6 n GLY 1066Ca 0.33 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 1ux6 n GLY 1066CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ux6 s ASN 1067N -4.00 5.40 -0.19 1.61 0.01 -1.26 -2.77 114.94 113.74 1ux6 s ASN 1067Ca 0.00 0.14 -0.00 0.00 -0.71 0.00 0.00 52.86 52.28 1ux6 s ASN 1067Cb 0.00 -1.52 0.05 0.00 0.41 0.00 0.00 41.25 40.18 1ux6 s ASN 1067CO 0.00 0.33 -0.06 -0.89 -1.51 0.00 0.00 177.10 174.98 1ux6 s THR 1068N -1.01 1.26 -0.03 1.60 2.01 -0.08 -5.00 115.64 114.39 1ux6 s THR 1068Ca 0.17 -0.83 -0.40 0.00 0.31 0.00 0.00 61.69 60.94 1ux6 s THR 1068Cb -0.12 -1.46 -0.20 0.00 0.01 0.00 0.00 72.50 70.74 1ux6 s THR 1068CO 0.07 0.06 1.16 -2.65 -0.69 0.00 0.00 174.62 172.57 1ux6 n PRO 1069N 4.81 0.16 -1.32 4.92 -0.02 -1.26 -1.10 135.00 141.18 1ux6 n PRO 1069Ca -0.12 0.06 -0.11 0.00 -2.02 0.00 0.00 63.50 61.31 1ux6 n PRO 1069Cb 0.47 -1.58 -0.05 0.00 -0.02 0.00 0.00 33.50 32.32 1ux6 n PRO 1069CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ux6 n GLY 1070N 1.87 1.11 1.76 -1.23 0.00 -1.26 -4.76 105.19 102.67 1ux6 n GLY 1070Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1ux6 n GLY 1070CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ux6 n GLN 1071N -1.36 0.00 -4.13 1.61 1.13 -0.26 -1.53 117.38 112.84 1ux6 n GLN 1071Ca -0.11 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 54.81 1ux6 n GLN 1071Cb 0.52 -0.01 -0.11 0.00 0.11 0.00 0.00 30.24 30.75 1ux6 n GLN 1071CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1ux6 s VAL 1072N -1.11 0.79 -0.07 5.09 1.01 -0.89 -1.43 120.40 123.80 1ux6 s VAL 1072Ca 0.00 -1.35 0.01 0.00 0.00 0.00 0.00 61.98 60.64 1ux6 s VAL 1072Cb 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.40 1ux6 s VAL 1072CO 0.00 -0.43 -0.08 -0.60 0.00 0.00 0.00 175.10 173.99 1ux6 s ARG 1073N -2.11 1.27 -0.36 2.72 3.52 -0.85 -0.90 118.95 122.24 1ux6 s ARG 1073Ca -0.02 -0.24 -0.17 0.00 -0.13 0.00 0.00 55.73 55.17 1ux6 s ARG 1073Cb -0.07 -1.19 -0.00 0.00 -1.56 0.00 0.00 34.95 32.13 1ux6 s ARG 1073CO 0.00 -0.08 0.44 0.99 -0.81 0.00 0.00 175.30 175.84 1ux6 s THR 1074N 1.02 5.08 0.17 4.11 2.01 -1.11 -0.83 115.64 126.09 1ux6 s THR 1074Ca -0.09 0.09 0.06 0.00 0.31 0.00 0.00 61.69 62.06 1ux6 s THR 1074Cb -0.14 -3.93 -0.14 0.00 0.01 0.00 0.00 72.50 68.29 1ux6 s THR 1074CO -0.00 -0.22 1.40 -0.07 -0.69 0.00 0.00 174.62 175.04 1ux6 h LEU 1075N 8.97 0.11 -7.00 4.42 3.38 -0.73 -3.47 115.31 120.99 1ux6 h LEU 1075Ca -0.28 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1ux6 h LEU 1075Cb 1.13 -0.03 -0.21 0.00 0.09 0.00 0.00 40.66 41.64 1ux6 h LEU 1075CO 0.75 0.92 0.30 0.86 0.09 0.00 0.00 178.44 181.36 1ux6 s TRP 1076N -3.13 -0.57 -0.11 1.13 -0.00 -1.08 -4.99 118.94 110.19 1ux6 s TRP 1076Ca -0.01 1.03 -0.08 0.00 -0.00 0.00 0.00 56.10 57.04 1ux6 s TRP 1076Cb 0.11 0.41 0.04 0.00 -0.00 0.00 0.00 33.47 34.03 1ux6 s TRP 1076CO 0.81 -0.51 0.28 -1.58 -0.00 0.00 0.00 176.95 175.95 1ux6 s HIS 1077N -1.03 -0.35 -0.18 5.86 5.65 -1.26 -0.68 115.29 123.30 1ux6 s HIS 1077Ca -0.07 0.82 -0.31 0.00 0.25 0.00 0.00 55.06 55.75 1ux6 s HIS 1077Cb -0.01 0.10 -0.08 0.00 -1.18 0.00 0.00 32.58 31.41 1ux6 s HIS 1077CO 0.06 -0.21 2.11 -3.47 -0.65 0.00 0.00 174.74 172.59 1ux6 n ASP 1078N 3.63 3.22 0.31 9.88 2.03 -0.50 -4.83 116.55 130.28 1ux6 n ASP 1078Ca -0.19 0.52 0.19 0.00 0.52 0.00 0.00 54.79 55.83 1ux6 n ASP 1078Cb 0.56 -1.45 1.02 0.00 -0.72 0.00 0.00 41.12 40.52 1ux6 n ASP 1078CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1ux6 h PRO 1079N 12.59 0.00 0.00 -0.67 0.11 -1.97 -0.10 132.00 141.96 1ux6 h PRO 1079Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1ux6 h PRO 1079Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1ux6 h PRO 1079CO 0.97 0.00 -0.47 0.54 -0.21 0.00 0.00 178.00 178.83 1ux6 n ARG 1080N -3.28 0.14 -3.90 1.05 1.74 -1.26 -4.97 116.66 106.18 1ux6 n ARG 1080Ca -0.02 0.05 -0.30 0.00 -0.77 0.00 0.00 57.85 56.81 1ux6 n ARG 1080Cb 0.20 -1.59 0.03 0.00 -1.02 0.00 0.00 32.46 30.07 1ux6 n ARG 1080CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1ux6 n HIS 1081N -1.80 -2.34 -2.58 -1.55 8.25 -0.05 -4.92 115.22 110.23 1ux6 n HIS 1081Ca 0.05 0.91 -0.43 0.00 -0.26 0.00 0.00 57.72 57.99 1ux6 n HIS 1081Cb 0.38 -4.04 -0.02 0.00 1.12 0.00 0.00 29.99 27.43 1ux6 n HIS 1081CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1ux6 s ILE 1082N -3.30 4.43 0.59 1.59 1.01 -1.26 -3.99 121.20 120.26 1ux6 s ILE 1082Ca 0.66 1.66 -0.07 0.00 0.00 0.00 0.00 60.65 62.91 1ux6 s ILE 1082Cb -0.33 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 37.83 1ux6 s ILE 1082CO 0.83 -0.41 0.91 -0.83 0.00 0.00 0.00 174.94 175.43 1ux6 s GLY 1083N 1.87 1.60 0.69 6.18 0.00 -1.26 -3.53 107.32 112.86 1ux6 s GLY 1083Ca 0.48 -0.61 -0.11 0.00 0.00 0.00 0.00 44.72 44.49 1ux6 s GLY 1083CO 0.16 -0.34 1.06 0.66 0.00 0.00 0.00 173.10 174.64 1ux6 s TRP 1084N -3.00 3.15 -0.00 1.90 1.48 -1.26 -4.95 118.94 116.27 1ux6 s TRP 1084Ca 0.53 1.40 -0.01 0.00 -1.06 0.00 0.00 56.10 56.96 1ux6 s TRP 1084Cb -0.11 -2.87 -0.04 0.00 -1.16 0.00 0.00 33.47 29.29 1ux6 s TRP 1084CO 0.46 -1.20 0.12 0.15 -4.06 0.00 0.00 176.95 172.42 1ux6 s LYS 1085N -5.06 3.21 0.84 3.25 1.02 -1.26 -4.76 119.74 116.97 1ux6 s LYS 1085Ca 0.58 -0.43 -0.12 0.00 0.02 0.00 0.00 55.97 56.01 1ux6 s LYS 1085Cb -0.14 -2.95 0.10 0.00 -0.52 0.00 0.00 37.83 34.33 1ux6 s LYS 1085CO 0.55 0.65 1.19 -0.51 -0.92 0.00 0.00 175.35 176.31 1ux6 s ASP 1086N -1.85 3.36 -1.51 2.83 1.01 -1.26 -3.36 116.67 115.88 1ux6 s ASP 1086Ca 0.25 2.33 -0.01 0.00 0.71 0.00 0.00 52.55 55.83 1ux6 s ASP 1086Cb -0.12 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.22 1ux6 s ASP 1086CO 0.16 -2.82 0.01 0.49 0.21 0.00 0.00 175.17 173.23 1ux6 n PHE 1087N -3.58 -1.24 -4.12 4.23 3.01 -0.29 -4.95 117.46 110.52 1ux6 n PHE 1087Ca 0.13 0.59 -0.18 0.00 1.01 0.00 0.00 57.45 58.99 1ux6 n PHE 1087Cb 0.51 -2.74 -0.16 0.00 -0.01 0.00 0.00 39.48 37.08 1ux6 n PHE 1087CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1ux6 s THR 1088N -4.35 0.44 -0.17 4.37 2.01 -1.21 -5.00 115.64 111.73 1ux6 s THR 1088Ca 0.01 -0.10 -0.28 0.00 0.31 0.00 0.00 61.69 61.63 1ux6 s THR 1088Cb -0.01 -0.46 -0.00 0.00 0.01 0.00 0.00 72.50 72.04 1ux6 s THR 1088CO 0.98 0.19 0.97 0.00 -0.69 0.00 0.00 174.62 176.07 1ux6 s ALA 1089N 0.73 3.54 -0.07 7.40 0.00 -1.26 -4.31 121.76 127.79 1ux6 s ALA 1089Ca -0.09 0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.13 1ux6 s ALA 1089Cb -0.12 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 1ux6 s ALA 1089CO -0.00 -0.79 -0.20 0.71 0.00 0.00 0.00 175.76 175.47 1ux6 s TYR 1090N 2.51 2.56 -0.14 0.00 1.51 -0.76 -4.10 117.35 118.93 1ux6 s TYR 1090Ca 0.44 -0.57 -0.03 0.00 -1.01 0.00 0.00 57.07 55.91 1ux6 s TYR 1090Cb -0.17 -1.65 -0.03 0.00 -0.11 0.00 0.00 41.96 40.01 1ux6 s TYR 1090CO 0.12 -0.11 -0.05 0.50 -1.11 0.00 0.00 175.55 174.89 1ux6 s ARG 1091N -0.22 3.53 0.08 -0.62 6.06 0.53 -1.68 118.95 126.62 1ux6 s ARG 1091Ca -0.01 -0.55 0.06 0.00 -2.50 0.00 0.00 55.73 52.73 1ux6 s ARG 1091Cb -0.13 -2.83 -0.04 0.00 0.06 0.00 0.00 34.95 32.00 1ux6 s ARG 1091CO 0.03 0.29 -0.07 1.67 -2.50 0.00 0.00 175.30 174.72 1ux6 s TRP 1092N 0.22 2.83 -0.09 5.12 -2.14 0.34 0.51 118.94 125.72 1ux6 s TRP 1092Ca -0.03 -0.10 -0.01 0.00 2.66 0.00 0.00 56.10 58.62 1ux6 s TRP 1092Cb -0.14 -1.50 0.03 0.00 -3.10 0.00 0.00 33.47 28.76 1ux6 s TRP 1092CO 0.03 0.43 -0.01 1.03 -2.66 0.00 0.00 176.95 175.76 1ux6 s ARG 1093N -2.05 0.84 -0.03 3.25 0.52 -0.42 -2.11 118.95 118.95 1ux6 s ARG 1093Ca 0.21 -0.04 0.08 0.00 -0.52 0.00 0.00 55.73 55.46 1ux6 s ARG 1093Cb -0.11 -1.24 -0.02 0.00 0.52 0.00 0.00 34.95 34.10 1ux6 s ARG 1093CO 0.13 -0.33 -0.26 -1.17 0.02 0.00 0.00 175.30 173.70 1ux6 s LEU 1094N 1.90 2.07 -0.07 2.53 2.96 0.19 -1.30 118.68 126.96 1ux6 s LEU 1094Ca 0.04 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 1ux6 s LEU 1094Cb -0.13 -1.35 0.01 0.00 0.50 0.00 0.00 46.19 45.22 1ux6 s LEU 1094CO -0.06 0.30 -0.13 -0.44 -1.32 0.00 0.00 176.35 174.71 1ux6 s SER 1095N -0.52 1.83 -0.07 3.68 0.01 -0.67 -0.31 113.70 117.66 1ux6 s SER 1095Ca 0.07 -0.31 0.01 0.00 1.31 0.00 0.00 55.95 57.03 1ux6 s SER 1095Cb -0.11 -0.85 0.02 0.00 0.21 0.00 0.00 66.02 65.29 1ux6 s SER 1095CO 0.00 0.03 -0.08 -2.28 0.41 0.00 0.00 173.24 171.32 1ux6 s HIS 1096N 0.68 1.23 -0.44 2.43 2.46 -0.49 -2.24 115.29 118.92 1ux6 s HIS 1096Ca -0.14 -0.48 0.03 0.00 0.47 0.00 0.00 55.06 54.93 1ux6 s HIS 1096Cb -0.16 -0.99 0.13 0.00 -0.13 0.00 0.00 32.58 31.43 1ux6 s HIS 1096CO 0.04 -0.32 0.21 1.03 -2.47 0.00 0.00 174.74 173.23 1ux6 s ARG 1097N 1.08 1.47 0.37 2.88 1.81 -0.15 -1.70 118.95 124.71 1ux6 s ARG 1097Ca -0.07 -2.10 0.13 0.00 -1.72 0.00 0.00 55.73 51.97 1ux6 s ARG 1097Cb -0.14 -2.71 0.94 0.00 -0.45 0.00 0.00 34.95 32.58 1ux6 s ARG 1097CO -0.01 -1.10 1.82 -1.35 -0.68 0.00 0.00 175.30 173.98 1ux6 h PRO 1098N 6.89 0.54 -0.93 3.54 0.11 -1.82 0.19 132.00 140.52 1ux6 h PRO 1098Ca -0.05 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 66.10 1ux6 h PRO 1098Cb 0.93 -0.12 -0.07 0.00 0.11 0.00 0.00 31.00 31.86 1ux6 h PRO 1098CO 0.55 0.36 0.59 0.87 -0.21 0.00 0.00 178.00 180.16 1ux6 h LYS 1099N 0.56 1.02 0.00 1.05 1.57 -1.94 -3.07 116.57 115.75 1ux6 h LYS 1099Ca 0.52 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1ux6 h LYS 1099Cb 1.08 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1ux6 h LYS 1099CO -0.26 0.68 -0.97 0.25 -0.57 0.00 0.00 179.45 178.58 1ux6 n THR 1100N -4.57 0.00 -0.69 -0.16 -2.24 -0.97 -4.99 114.28 100.66 1ux6 n THR 1100Ca 0.14 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1ux6 n THR 1100Cb 0.20 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 1ux6 n THR 1100CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ux6 n GLY 1101N 1.43 0.67 3.75 3.38 0.00 0.61 -4.74 105.19 110.29 1ux6 n GLY 1101Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1ux6 n GLY 1101CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ux6 s PHE 1102N -2.10 2.98 -0.09 1.61 5.36 -0.83 -0.86 117.98 124.05 1ux6 s PHE 1102Ca 0.00 1.05 -0.07 0.00 -0.96 0.00 0.00 56.93 56.95 1ux6 s PHE 1102Cb 0.00 -3.84 0.03 0.00 -0.34 0.00 0.00 43.02 38.87 1ux6 s PHE 1102CO 0.00 -2.68 0.23 0.42 -1.46 0.00 0.00 175.22 171.73 1ux6 s ILE 1103N -0.16 -0.01 -0.27 3.12 1.01 0.20 -0.98 121.20 124.10 1ux6 s ILE 1103Ca 0.58 0.05 -0.21 0.00 0.00 0.00 0.00 60.65 61.07 1ux6 s ILE 1103Cb -0.42 -0.34 0.07 0.00 0.01 0.00 0.00 42.46 41.78 1ux6 s ILE 1103CO 0.45 0.02 0.70 -0.60 0.00 0.00 0.00 174.94 175.51 1ux6 s ARG 1104N 0.50 0.78 -0.02 2.79 3.52 -0.95 0.15 118.95 125.73 1ux6 s ARG 1104Ca -0.03 1.06 0.03 0.00 -0.13 0.00 0.00 55.73 56.66 1ux6 s ARG 1104Cb -0.05 0.31 -0.00 0.00 -1.56 0.00 0.00 34.95 33.65 1ux6 s ARG 1104CO -0.03 -0.12 -0.10 0.54 -0.81 0.00 0.00 175.30 174.79 1ux6 s VAL 1105N 0.80 0.83 -0.05 7.11 0.11 -1.26 -1.67 120.40 126.28 1ux6 s VAL 1105Ca -0.03 -0.43 0.03 0.00 -2.93 0.00 0.00 61.98 58.62 1ux6 s VAL 1105Cb -0.05 -0.71 0.00 0.00 -1.53 0.00 0.00 36.38 34.09 1ux6 s VAL 1105CO -0.06 0.24 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.12 1ux6 s VAL 1106N -0.08 1.20 -0.12 2.04 1.01 -0.42 -1.30 120.40 122.74 1ux6 s VAL 1106Ca 0.01 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 1ux6 s VAL 1106Cb -0.06 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 1ux6 s VAL 1106CO -0.00 0.36 0.02 -0.04 0.00 0.00 0.00 175.10 175.44 1ux6 s MET 1107N 0.25 3.32 0.04 2.72 -1.94 0.11 -1.29 119.30 122.50 1ux6 s MET 1107Ca -0.07 -0.38 0.07 0.00 -1.71 0.00 0.00 55.69 53.60 1ux6 s MET 1107Cb -0.12 -2.93 -0.03 0.00 2.01 0.00 0.00 34.83 33.76 1ux6 s MET 1107CO 0.02 0.57 -0.21 0.71 -0.01 0.00 0.00 175.02 176.10 1ux6 s TYR 1108N -0.49 1.83 -0.44 -0.03 1.51 0.18 -0.57 117.35 119.34 1ux6 s TYR 1108Ca 0.09 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 55.79 1ux6 s TYR 1108Cb -0.12 -1.09 0.12 0.00 -0.11 0.00 0.00 41.96 40.76 1ux6 s TYR 1108CO 0.02 0.09 0.20 -2.00 -1.11 0.00 0.00 175.55 172.75 1ux6 s GLU 1109N -1.19 1.89 7.52 -0.62 2.12 0.60 -0.35 118.70 128.67 1ux6 s GLU 1109Ca 0.08 -2.15 0.00 0.00 0.36 0.00 0.00 54.97 53.25 1ux6 s GLU 1109Cb -0.09 -3.40 0.00 0.00 0.26 0.00 0.00 34.13 30.90 1ux6 s GLU 1109CO 0.02 -1.05 0.00 0.41 -0.54 0.00 0.00 175.26 174.10 1ux6 n GLY 1110N 3.93 2.45 1.20 -1.50 0.00 -1.26 -1.72 105.19 108.29 1ux6 n GLY 1110Ca 0.03 -0.33 0.09 0.00 0.00 0.00 0.00 46.02 45.82 1ux6 n GLY 1110CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ux6 n LYS 1111N 12.73 3.02 -3.87 1.61 5.02 -1.26 -4.92 118.16 130.48 1ux6 n LYS 1111Ca 0.00 -2.57 -0.36 0.00 -2.02 0.00 0.00 58.31 53.36 1ux6 n LYS 1111Cb 0.00 -1.58 -0.07 0.00 -0.02 0.00 0.00 35.03 33.36 1ux6 n LYS 1111CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1ux6 s LYS 1112N -1.29 3.62 -0.26 1.97 1.02 -0.70 -5.07 119.74 119.04 1ux6 s LYS 1112Ca 0.43 -0.17 -0.25 0.00 0.02 0.00 0.00 55.97 55.99 1ux6 s LYS 1112Cb 0.24 -3.23 -0.00 0.00 -0.52 0.00 0.00 37.83 34.32 1ux6 s LYS 1112CO 0.26 0.64 0.86 0.42 -0.92 0.00 0.00 175.35 176.61 1ux6 s ILE 1113N -0.63 4.79 -0.19 2.17 1.01 -1.26 -0.29 121.20 126.80 1ux6 s ILE 1113Ca 0.13 1.58 0.03 0.00 0.00 0.00 0.00 60.65 62.38 1ux6 s ILE 1113Cb -0.12 -4.16 -0.22 0.00 0.01 0.00 0.00 42.46 37.97 1ux6 s ILE 1113CO 0.02 -0.14 0.09 0.23 0.00 0.00 0.00 174.94 175.14 1ux6 n MET 1114N 6.13 0.69 -3.72 2.79 2.81 0.26 -4.93 117.12 121.15 1ux6 n MET 1114Ca 0.06 0.18 -0.14 0.00 -1.81 0.00 0.00 57.70 55.99 1ux6 n MET 1114Cb 0.47 -1.61 -0.09 0.00 -0.71 0.00 0.00 33.22 31.29 1ux6 n MET 1114CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ux6 s ALA 1115N -2.54 -1.04 -0.07 3.04 0.00 -1.14 -4.97 121.76 115.05 1ux6 s ALA 1115Ca -0.24 0.91 -0.03 0.00 0.00 0.00 0.00 51.96 52.60 1ux6 s ALA 1115Cb 0.08 -0.35 0.04 0.00 0.00 0.00 0.00 23.12 22.88 1ux6 s ALA 1115CO 0.71 -0.24 0.12 0.34 0.00 0.00 0.00 175.76 176.68 1ux6 s ASP 1116N -0.48 0.95 0.46 0.00 -1.08 -1.26 0.07 116.67 115.33 1ux6 s ASP 1116Ca -0.06 0.20 0.26 0.00 -0.52 0.00 0.00 52.55 52.43 1ux6 s ASP 1116Cb -0.03 0.09 0.84 0.00 -1.46 0.00 0.00 42.92 42.36 1ux6 s ASP 1116CO 0.03 -0.25 1.79 0.77 0.52 0.00 0.00 175.17 178.03 1ux6 h SER 1117N 8.40 0.00 -3.78 -0.34 4.64 -1.59 -3.50 113.55 117.37 1ux6 h SER 1117Ca -0.13 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.23 1ux6 h SER 1117Cb 1.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1ux6 h SER 1117CO 0.15 0.14 -0.05 0.61 -0.87 0.00 0.00 176.83 176.81 1ux6 n GLY 1118N 0.43 -2.13 3.71 -0.77 0.00 -1.26 -4.76 105.19 100.41 1ux6 n GLY 1118Ca 0.01 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 1ux6 n GLY 1118CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ux6 s PRO 1119N -0.81 4.31 -0.03 1.61 0.02 -1.26 -4.48 135.00 134.36 1ux6 s PRO 1119Ca 0.00 2.03 0.06 0.00 0.02 0.00 0.00 61.00 63.11 1ux6 s PRO 1119Cb 0.00 -3.37 -0.01 0.00 0.02 0.00 0.00 34.50 31.14 1ux6 s PRO 1119CO 0.00 -0.48 -0.20 0.42 -0.33 0.00 0.00 177.00 176.41 1ux6 s ILE 1120N 1.56 1.63 -0.12 2.83 -1.09 0.12 -4.98 121.20 121.16 1ux6 s ILE 1120Ca 0.64 -0.86 0.01 0.00 -2.23 0.00 0.00 60.65 58.22 1ux6 s ILE 1120Cb -0.35 -1.37 0.02 0.00 -1.58 0.00 0.00 42.46 39.18 1ux6 s ILE 1120CO 0.29 0.46 -0.15 -0.31 -1.23 0.00 0.00 174.94 174.00 1ux6 s TYR 1121N -0.28 2.05 -0.27 3.97 1.51 -1.26 0.59 117.35 123.67 1ux6 s TYR 1121Ca 0.03 -1.01 -0.17 0.00 -1.01 0.00 0.00 57.07 54.90 1ux6 s TYR 1121Cb -0.10 -1.48 0.08 0.00 -0.11 0.00 0.00 41.96 40.35 1ux6 s TYR 1121CO 0.01 -0.52 0.68 0.34 -1.11 0.00 0.00 175.55 174.94 1ux6 s ASP 1122N 1.08 -0.88 -0.27 2.29 -1.08 -0.03 -5.00 116.67 112.77 1ux6 s ASP 1122Ca -0.04 1.46 0.09 0.00 -0.52 0.00 0.00 52.55 53.54 1ux6 s ASP 1122Cb -0.15 1.37 0.48 0.00 -1.46 0.00 0.00 42.92 43.16 1ux6 s ASP 1122CO -0.03 -0.24 1.40 0.29 0.52 0.00 0.00 175.17 177.11 1ux6 n LYS 1123N 3.98 1.80 -0.16 4.34 5.02 -1.26 -4.48 118.16 127.40 1ux6 n LYS 1123Ca -0.19 -3.25 -0.08 0.00 -2.02 0.00 0.00 58.31 52.78 1ux6 n LYS 1123Cb 0.58 -1.78 0.01 0.00 -0.02 0.00 0.00 35.03 33.82 1ux6 n LYS 1123CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1ux6 h THR 1124N 1.02 1.15 -3.66 -0.18 2.02 -1.97 -3.42 112.91 107.88 1ux6 h THR 1124Ca 0.17 -0.36 -0.63 0.00 0.77 0.00 0.00 66.41 66.36 1ux6 h THR 1124Cb 1.49 0.55 -0.32 0.00 -1.74 0.00 0.00 68.15 68.12 1ux6 h THR 1124CO 0.30 0.16 -0.86 -0.31 0.37 0.00 0.00 175.52 175.18 1ux6 s TYR 1125N -5.94 2.17 -1.74 3.16 4.12 -1.26 -4.91 117.35 112.94 1ux6 s TYR 1125Ca -0.13 -0.76 0.05 0.00 0.02 0.00 0.00 57.07 56.25 1ux6 s TYR 1125Cb 0.11 -1.46 0.16 0.00 -1.52 0.00 0.00 41.96 39.26 1ux6 s TYR 1125CO 0.74 -0.29 1.05 0.00 0.02 0.00 0.00 175.55 177.08 1ux6 n ALA 1126N 3.33 2.55 0.00 3.71 0.00 -0.84 -4.90 120.51 124.35 1ux6 n ALA 1126Ca -0.19 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1ux6 n ALA 1126Cb 0.52 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1ux6 n ALA 1126CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ux6 n GLY 1127N 0.63 0.97 0.00 0.00 0.00 -1.26 -4.47 105.19 101.06 1ux6 n GLY 1127Ca 0.06 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1ux6 n GLY 1127CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ux6 n GLY 1128N -0.96 0.25 3.94 -0.02 0.00 -0.33 -4.40 105.19 103.66 1ux6 n GLY 1128Ca 0.00 -1.44 -0.24 0.00 0.00 0.00 0.00 46.02 44.34 1ux6 n GLY 1128CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ux6 s ARG 1129N -2.00 2.54 0.18 1.61 0.52 -0.10 -0.92 118.95 120.78 1ux6 s ARG 1129Ca 0.00 -0.38 0.08 0.00 -0.52 0.00 0.00 55.73 54.91 1ux6 s ARG 1129Cb 0.00 -2.32 -0.04 0.00 0.52 0.00 0.00 34.95 33.11 1ux6 s ARG 1129CO 0.00 -0.87 -0.04 -0.51 0.02 0.00 0.00 175.30 173.90 1ux6 s LEU 1130N -4.98 3.18 0.00 2.53 1.43 -1.26 -1.50 118.68 118.09 1ux6 s LEU 1130Ca 0.57 -0.47 -0.15 0.00 -1.03 0.00 0.00 54.13 53.05 1ux6 s LEU 1130Cb -0.10 -1.85 0.05 0.00 0.03 0.00 0.00 46.19 44.32 1ux6 s LEU 1130CO 0.42 0.09 0.74 0.61 0.23 0.00 0.00 176.35 178.45 1ux6 n GLY 1131N -0.06 0.86 3.64 -3.19 0.00 -0.54 0.39 105.19 106.28 1ux6 n GLY 1131Ca -0.10 -1.11 -0.31 0.00 0.00 0.00 0.00 46.02 44.50 1ux6 n GLY 1131CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ux6 s LEU 1132N 0.00 3.31 0.01 0.99 1.43 0.17 -0.98 118.68 123.61 1ux6 s LEU 1132Ca 0.16 -0.20 0.07 0.00 -1.03 0.00 0.00 54.13 53.13 1ux6 s LEU 1132Cb -0.02 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 1ux6 s LEU 1132CO 0.05 0.21 -0.21 0.12 0.23 0.00 0.00 176.35 176.75 1ux6 s PHE 1133N -1.19 1.85 -0.08 0.29 5.36 -0.35 -1.97 117.98 121.90 1ux6 s PHE 1133Ca 0.22 -0.36 -0.07 0.00 -0.96 0.00 0.00 56.93 55.75 1ux6 s PHE 1133Cb -0.11 -1.15 0.02 0.00 -0.34 0.00 0.00 43.02 41.44 1ux6 s PHE 1133CO 0.14 0.03 0.21 0.08 -1.46 0.00 0.00 175.22 174.22 1ux6 s VAL 1134N -0.64 0.00 -0.28 3.12 1.01 -0.89 -1.20 120.40 121.52 1ux6 s VAL 1134Ca 0.08 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.06 1ux6 s VAL 1134Cb -0.08 -0.30 0.16 0.00 0.00 0.00 0.00 36.38 36.16 1ux6 s VAL 1134CO 0.00 -0.01 0.44 0.12 0.00 0.00 0.00 175.10 175.66 1ux6 s PHE 1135N 0.08 -1.13 -1.61 5.22 5.99 -1.02 -1.35 117.98 124.15 1ux6 s PHE 1135Ca -0.00 0.68 -0.03 0.00 0.00 0.00 0.00 56.93 57.57 1ux6 s PHE 1135Cb -0.02 0.01 0.00 0.00 0.00 0.00 0.00 43.02 43.02 1ux6 s PHE 1135CO 0.00 -0.92 0.42 0.45 -0.00 0.00 0.00 175.22 175.17 1ux6 n SER 1136N 5.37 -6.04 -3.84 6.13 2.88 0.26 -2.11 113.62 116.28 1ux6 n SER 1136Ca 0.00 -0.20 -0.24 0.00 -1.33 0.00 0.00 58.87 57.10 1ux6 n SER 1136Cb 0.50 -4.91 -0.17 0.00 -0.75 0.00 0.00 64.21 58.88 1ux6 n SER 1136CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1ux6 s GLN 1137N -5.49 0.99 0.49 -1.46 2.00 -1.26 -4.49 119.66 110.44 1ux6 s GLN 1137Ca 0.21 -0.05 -0.05 0.00 -2.00 0.00 0.00 55.36 53.46 1ux6 s GLN 1137Cb -0.09 -1.19 -0.04 0.00 0.80 0.00 0.00 33.01 32.49 1ux6 s GLN 1137CO 0.26 -0.26 0.79 -1.83 -0.50 0.00 0.00 175.29 173.75 1ux6 s GLU 1138N 1.76 3.55 -1.29 1.67 -1.05 -1.23 -4.46 118.70 117.65 1ux6 s GLU 1138Ca 0.03 0.23 -0.00 0.00 -0.15 0.00 0.00 54.97 55.08 1ux6 s GLU 1138Cb -0.13 -2.36 0.00 0.00 -0.44 0.00 0.00 34.13 31.20 1ux6 s GLU 1138CO -0.06 -0.22 0.75 -1.33 0.95 0.00 0.00 175.26 175.36 1ux6 n MET 1139N -2.26 -5.23 -3.32 -4.83 2.81 0.05 -4.77 117.12 99.57 1ux6 n MET 1139Ca 0.01 0.66 -0.40 0.00 -1.81 0.00 0.00 57.70 56.16 1ux6 n MET 1139Cb 0.55 -5.31 -0.08 0.00 -0.71 0.00 0.00 33.22 27.67 1ux6 n MET 1139CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1ux6 s VAL 1140N -3.61 5.11 -0.30 2.03 1.01 -0.61 -1.74 120.40 122.29 1ux6 s VAL 1140Ca 0.01 0.45 -0.10 0.00 0.00 0.00 0.00 61.98 62.33 1ux6 s VAL 1140Cb -0.00 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1ux6 s VAL 1140CO 0.80 -0.02 0.17 -0.36 0.00 0.00 0.00 175.10 175.69 1ux6 s PHE 1141N 2.20 3.19 -0.01 5.22 0.40 0.74 -1.50 117.98 128.22 1ux6 s PHE 1141Ca 0.16 -0.26 -0.01 0.00 -0.60 0.00 0.00 56.93 56.22 1ux6 s PHE 1141Cb -0.16 -2.37 -0.04 0.00 0.51 0.00 0.00 43.02 40.96 1ux6 s PHE 1141CO 0.11 -0.33 0.08 -0.06 0.70 0.00 0.00 175.22 175.72 1ux6 s PHE 1142N 1.68 3.29 0.16 0.36 0.40 1.00 -0.54 117.98 124.33 1ux6 s PHE 1142Ca 0.06 0.21 -0.25 0.00 -0.60 0.00 0.00 56.93 56.36 1ux6 s PHE 1142Cb -0.17 -1.74 0.06 0.00 0.51 0.00 0.00 43.02 41.68 1ux6 s PHE 1142CO 0.08 0.55 0.87 -1.54 0.70 0.00 0.00 175.22 175.89 1ux6 s SER 1143N -1.72 -0.25 -1.26 1.36 1.04 -0.18 -0.93 113.70 111.76 1ux6 s SER 1143Ca 0.23 -0.36 -0.07 0.00 0.48 0.00 0.00 55.95 56.22 1ux6 s SER 1143Cb -0.12 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 1ux6 s SER 1143CO 0.14 -0.96 0.66 -0.67 0.98 0.00 0.00 173.24 173.39 1ux6 n ASP 1144N -0.43 -2.57 -4.75 7.02 2.03 -1.26 -1.69 116.55 114.89 1ux6 n ASP 1144Ca -0.07 -0.93 -0.40 0.00 0.52 0.00 0.00 54.79 53.91 1ux6 n ASP 1144Cb 0.61 -3.62 -0.05 0.00 -0.72 0.00 0.00 41.12 37.33 1ux6 n ASP 1144CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1ux6 s LEU 1145N -6.62 4.53 0.01 -2.67 1.43 -1.26 -4.26 118.68 109.85 1ux6 s LEU 1145Ca 0.18 1.68 -0.04 0.00 -1.03 0.00 0.00 54.13 54.93 1ux6 s LEU 1145Cb -0.06 -3.41 -0.01 0.00 0.03 0.00 0.00 46.19 42.74 1ux6 s LEU 1145CO 0.85 0.06 0.05 -0.54 0.23 0.00 0.00 176.35 177.00 1ux6 s LYS 1146N -0.50 0.39 -0.03 1.70 1.02 -0.11 -4.98 119.74 117.23 1ux6 s LYS 1146Ca 0.41 -0.50 -0.21 0.00 0.02 0.00 0.00 55.97 55.68 1ux6 s LYS 1146Cb -0.23 0.15 0.04 0.00 -0.52 0.00 0.00 37.83 37.28 1ux6 s LYS 1146CO 0.27 -0.08 0.46 1.52 -0.92 0.00 0.00 175.35 176.60 1ux6 s TYR 1147N -1.40 -0.37 -0.05 3.18 -0.85 -1.26 -1.17 117.35 115.43 1ux6 s TYR 1147Ca -0.15 0.61 -0.04 0.00 -0.52 0.00 0.00 57.07 56.97 1ux6 s TYR 1147Cb -0.09 0.23 0.01 0.00 0.38 0.00 0.00 41.96 42.49 1ux6 s TYR 1147CO 0.00 -0.48 0.12 -1.21 -1.52 0.00 0.00 175.55 172.46 1ux6 s GLU 1148N -1.30 0.14 0.51 -3.49 2.02 -0.61 -4.90 118.70 111.06 1ux6 s GLU 1148Ca -0.12 0.19 -0.20 0.00 0.02 0.00 0.00 54.97 54.86 1ux6 s GLU 1148Cb -0.03 0.05 -0.08 0.00 0.10 0.00 0.00 34.13 34.17 1ux6 s GLU 1148CO 0.06 -0.03 1.05 0.00 0.02 0.00 0.00 175.26 176.37 1ux6 n ARG 1150N -1.12 1.74 -3.28 0.00 5.12 -0.68 -4.85 116.66 113.58 1ux6 n ARG 1150Ca 0.10 -3.24 -0.34 0.00 -1.93 0.00 0.00 57.85 52.43 1ux6 n ARG 1150Cb 0.52 -1.40 -0.06 0.00 -1.16 0.00 0.00 32.46 30.37 1ux6 n ARG 1150CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1ux6 s ASP 1151N -3.13 6.79 0.00 0.55 -0.00 -1.26 -4.81 116.67 114.81 1ux6 s ASP 1151Ca 0.38 1.13 0.15 0.00 -0.00 0.00 0.00 52.55 54.21 1ux6 s ASP 1151Cb 0.38 -2.31 0.90 0.00 -0.00 0.00 0.00 42.92 41.88 1ux6 s ASP 1151CO -0.06 -0.03 1.31 -0.81 -0.00 0.00 0.00 175.17 175.58