#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fvr s THR 814 N 0.00 1.10 -0.25 0.52 2.01 -1.26 -5.08 115.64 112.68 1fvr s THR 814 Ca 0.00 -0.45 -0.09 0.00 0.31 0.00 0.00 61.69 61.45 1fvr s THR 814 Cb 0.00 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 1fvr s THR 814 CO 0.00 0.35 0.13 -0.63 -0.69 0.00 0.00 174.62 173.78 1fvr s ILE 815 N 0.72 4.87 0.28 1.82 1.01 -1.26 -5.06 121.20 123.58 1fvr s ILE 815 Ca -0.14 0.02 0.07 0.00 0.00 0.00 0.00 60.65 60.60 1fvr s ILE 815 Cb -0.16 -3.29 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 1fvr s ILE 815 CO 0.03 0.32 0.24 -0.31 0.00 0.00 0.00 174.94 175.22 1fvr s TYR 816 N 1.48 3.04 0.82 3.97 1.51 -1.26 -3.77 117.35 123.14 1fvr s TYR 816 Ca 0.06 -0.18 -0.11 0.00 -1.01 0.00 0.00 57.07 55.83 1fvr s TYR 816 Cb -0.15 -1.56 0.08 0.00 -0.11 0.00 0.00 41.96 40.22 1fvr s TYR 816 CO 0.06 0.38 1.10 -1.25 -1.11 0.00 0.00 175.55 174.73 1fvr s PRO 817 N -3.91 1.91 -0.19 -1.71 0.04 -1.26 -4.17 135.00 125.71 1fvr s PRO 817 Ca 0.36 0.68 -0.26 0.00 0.04 0.00 0.00 61.00 61.83 1fvr s PRO 817 Cb -0.07 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 1fvr s PRO 817 CO 0.26 -1.75 0.87 0.08 0.04 0.00 0.00 177.00 176.49 1fvr s VAL 818 N -3.11 4.84 0.02 -0.36 1.01 -1.26 -1.82 120.40 119.72 1fvr s VAL 818 Ca 0.61 1.69 -0.05 0.00 0.00 0.00 0.00 61.98 64.23 1fvr s VAL 818 Cb -0.15 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 1fvr s VAL 818 CO 0.55 -0.02 0.25 -0.76 0.00 0.00 0.00 175.10 175.12 1fvr s LEU 819 N 2.41 4.36 -0.18 3.92 1.43 -0.57 -4.92 118.68 125.14 1fvr s LEU 819 Ca 0.39 0.49 -0.17 0.00 -1.03 0.00 0.00 54.13 53.81 1fvr s LEU 819 Cb -0.16 -2.72 -0.04 0.00 0.03 0.00 0.00 46.19 43.29 1fvr s LEU 819 CO 0.11 0.23 0.43 -0.62 0.23 0.00 0.00 176.35 176.73 1fvr s ASP 820 N -1.86 6.51 0.33 2.29 2.15 -1.26 -4.47 116.67 120.36 1fvr s ASP 820 Ca 0.29 0.60 0.13 0.00 0.43 0.00 0.00 52.55 54.00 1fvr s ASP 820 Cb -0.13 -2.25 1.03 0.00 -0.30 0.00 0.00 42.92 41.28 1fvr s ASP 820 CO 0.18 -0.06 1.67 -0.25 -0.17 0.00 0.00 175.17 176.54 1fvr h TRP 821 N 7.19 0.90 0.00 -5.34 2.91 -1.96 0.27 115.95 119.93 1fvr h TRP 821 Ca -0.37 0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.69 1fvr h TRP 821 Cb 1.16 -0.24 0.00 0.00 -0.51 0.00 0.00 29.16 29.58 1fvr h TRP 821 CO 0.66 -0.14 0.00 0.09 -1.03 0.00 0.00 178.44 178.02 1fvr n ASN 822 N -5.04 0.00 -0.17 2.65 3.02 -1.26 -2.07 115.26 112.39 1fvr n ASN 822 Ca 0.30 0.11 0.12 0.00 -0.03 0.00 0.00 54.58 55.08 1fvr n ASN 822 Cb 0.93 -0.34 0.19 0.00 -0.61 0.00 0.00 39.78 39.95 1fvr n ASN 822 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1fvr n ASP 823 N -1.34 1.03 -4.70 6.41 8.00 0.96 -4.88 116.55 122.03 1fvr n ASP 823 Ca 0.09 -0.82 -0.37 0.00 0.71 0.00 0.00 54.79 54.40 1fvr n ASP 823 Cb 0.19 0.37 -0.07 0.00 -0.02 0.00 0.00 41.12 41.59 1fvr n ASP 823 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1fvr s ILE 824 N -2.73 5.24 -0.20 0.53 1.01 -0.88 -3.82 121.20 120.35 1fvr s ILE 824 Ca 0.17 0.70 0.01 0.00 0.00 0.00 0.00 60.65 61.52 1fvr s ILE 824 Cb 0.18 -3.71 0.03 0.00 0.01 0.00 0.00 42.46 38.97 1fvr s ILE 824 CO 0.64 0.32 -0.15 -0.75 0.00 0.00 0.00 174.94 175.00 1fvr s LYS 825 N 0.85 2.52 0.15 2.79 2.20 -0.26 -4.99 119.74 123.01 1fvr s LYS 825 Ca 0.19 -0.91 -0.25 0.00 -0.36 0.00 0.00 55.97 54.65 1fvr s LYS 825 Cb -0.14 -2.54 -0.08 0.00 -1.51 0.00 0.00 37.83 33.56 1fvr s LYS 825 CO 0.07 -0.34 0.76 -0.06 -0.36 0.00 0.00 175.35 175.42 1fvr s PHE 826 N 1.30 3.89 0.00 4.03 0.40 -1.26 -1.03 117.98 125.30 1fvr s PHE 826 Ca 0.01 1.59 0.00 0.00 -0.60 0.00 0.00 56.93 57.93 1fvr s PHE 826 Cb -0.15 -2.75 0.00 0.00 0.51 0.00 0.00 43.02 40.62 1fvr s PHE 826 CO -0.10 0.50 0.00 1.04 0.70 0.00 0.00 175.22 177.36 1fvr n GLN 827 N 1.72 2.39 -3.81 0.44 6.02 0.31 -4.98 117.38 119.47 1fvr n GLN 827 Ca -0.06 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.92 1fvr n GLN 827 Cb 0.49 -0.89 0.00 0.00 1.02 0.00 0.00 30.24 30.86 1fvr n GLN 827 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1fvr s ASP 828 N -2.16 -0.06 -0.10 1.08 -1.08 -1.07 -4.97 116.67 108.31 1fvr s ASP 828 Ca 0.00 -0.44 0.03 0.00 -0.52 0.00 0.00 52.55 51.62 1fvr s ASP 828 Cb 0.00 0.39 -0.01 0.00 -1.46 0.00 0.00 42.92 41.84 1fvr s ASP 828 CO 0.00 -0.75 -0.20 -0.69 0.52 0.00 0.00 175.17 174.05 1fvr s VAL 829 N -2.53 2.43 0.28 1.11 1.01 -1.26 -0.19 120.40 121.26 1fvr s VAL 829 Ca 0.18 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 1fvr s VAL 829 Cb -0.01 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 1fvr s VAL 829 CO 0.02 0.55 0.35 0.27 0.00 0.00 0.00 175.10 176.29 1fvr s ILE 830 N 0.20 0.00 0.14 2.22 -4.36 0.61 -4.90 121.20 115.11 1fvr s ILE 830 Ca -0.12 -1.74 0.04 0.00 -0.26 0.00 0.00 60.65 58.57 1fvr s ILE 830 Cb -0.16 -2.49 -0.04 0.00 1.25 0.00 0.00 42.46 41.02 1fvr s ILE 830 CO 0.07 0.00 0.13 -0.83 0.24 0.00 0.00 174.94 174.55 1fvr s GLY 831 N -3.20 1.81 -0.46 6.27 0.00 -1.26 0.11 107.32 110.58 1fvr s GLY 831 Ca 0.33 -1.14 0.06 0.00 0.00 0.00 0.00 44.72 43.97 1fvr s GLY 831 CO 0.17 -1.14 0.59 -2.21 0.00 0.00 0.00 173.10 170.51 1fvr n GLU 832 N -0.13 0.47 0.00 2.90 2.13 -0.63 -4.88 120.64 120.50 1fvr n GLU 832 Ca -0.08 -2.54 0.00 0.00 0.66 0.00 0.00 57.16 55.20 1fvr n GLU 832 Cb 0.54 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.74 1fvr n GLU 832 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1fvr n GLY 833 N 2.53 2.53 0.00 8.31 0.00 -1.26 -1.77 105.19 115.53 1fvr n GLY 833 Ca 0.21 -0.38 0.05 0.00 0.00 0.00 0.00 46.02 45.90 1fvr n GLY 833 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1fvr n ASN 834 N 0.08 0.00 0.09 1.61 2.04 -1.26 -1.79 115.26 116.03 1fvr n ASN 834 Ca 0.00 -0.81 0.13 0.00 -0.44 0.00 0.00 54.58 53.46 1fvr n ASN 834 Cb 0.00 0.00 0.45 0.00 -2.53 0.00 0.00 39.78 37.70 1fvr n ASN 834 CO 0.00 0.00 0.00 0.49 -0.44 0.00 0.00 177.26 177.31 1fvr n PHE 835 N -0.79 0.75 -4.35 -2.53 3.01 -0.73 -4.68 117.46 108.15 1fvr n PHE 835 Ca 0.08 0.22 0.00 0.00 1.01 0.00 0.00 57.45 58.76 1fvr n PHE 835 Cb 0.04 -0.86 0.00 0.00 -0.01 0.00 0.00 39.48 38.64 1fvr n PHE 835 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1fvr n GLY 836 N 1.25 0.55 3.73 1.37 0.00 -0.74 -4.71 105.19 106.65 1fvr n GLY 836 Ca 0.06 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 1fvr n GLY 836 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fvr s GLN 837 N 0.00 4.57 0.14 1.61 -1.52 -1.26 -1.61 119.66 121.59 1fvr s GLN 837 Ca 0.00 1.65 0.02 0.00 -1.95 0.00 0.00 55.36 55.08 1fvr s GLN 837 Cb 0.00 -3.33 -0.04 0.00 -0.22 0.00 0.00 33.01 29.42 1fvr s GLN 837 CO 0.00 0.00 -0.03 0.14 -0.25 0.00 0.00 175.29 175.16 1fvr s VAL 838 N 0.25 0.68 -0.31 1.09 -7.23 0.29 -4.78 120.40 110.39 1fvr s VAL 838 Ca 0.51 -1.96 -0.16 0.00 -1.81 0.00 0.00 61.98 58.56 1fvr s VAL 838 Cb -0.27 -1.93 -0.02 0.00 0.56 0.00 0.00 36.38 34.71 1fvr s VAL 838 CO 0.32 -0.64 0.42 -0.76 -0.31 0.00 0.00 175.10 174.12 1fvr s LEU 839 N -3.12 4.23 0.08 1.32 1.43 0.68 -0.28 118.68 123.02 1fvr s LEU 839 Ca 0.19 0.08 -0.31 0.00 -1.03 0.00 0.00 54.13 53.06 1fvr s LEU 839 Cb 0.06 -2.46 -0.07 0.00 0.03 0.00 0.00 46.19 43.74 1fvr s LEU 839 CO 0.00 -0.31 1.42 -0.75 0.23 0.00 0.00 176.35 176.94 1fvr s LYS 840 N 2.16 4.30 0.28 1.70 2.20 0.74 0.47 119.74 131.59 1fvr s LYS 840 Ca 0.16 2.07 -0.00 0.00 -0.36 0.00 0.00 55.97 57.83 1fvr s LYS 840 Cb -0.16 -3.38 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 1fvr s LYS 840 CO 0.11 -0.51 0.37 0.00 -0.36 0.00 0.00 175.35 174.96 1fvr n ALA 841 N 4.52 -0.13 -3.53 3.13 0.00 0.82 -0.53 120.51 124.78 1fvr n ALA 841 Ca 0.12 -1.35 -0.24 0.00 0.00 0.00 0.00 53.44 51.97 1fvr n ALA 841 Cb 0.43 1.09 -0.17 0.00 0.00 0.00 0.00 19.45 20.80 1fvr n ALA 841 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1fvr s ARG 842 N -2.72 1.50 0.36 0.00 0.52 -0.20 -1.03 118.95 117.38 1fvr s ARG 842 Ca 0.25 -0.33 0.04 0.00 -0.52 0.00 0.00 55.73 55.16 1fvr s ARG 842 Cb -0.00 -1.30 -0.05 0.00 0.52 0.00 0.00 34.95 34.11 1fvr s ARG 842 CO 0.18 -0.02 0.07 0.96 0.02 0.00 0.00 175.30 176.51 1fvr s ILE 843 N 0.81 1.09 -0.18 1.52 -4.36 -0.34 -1.10 121.20 118.64 1fvr s ILE 843 Ca -0.12 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.22 1fvr s ILE 843 Cb -0.15 -2.65 -0.03 0.00 1.25 0.00 0.00 42.46 40.88 1fvr s ILE 843 CO 0.02 0.00 -0.01 -0.75 0.24 0.00 0.00 174.94 174.44 1fvr s LYS 844 N -3.84 3.69 -0.10 0.37 2.20 -1.25 -0.99 119.74 119.81 1fvr s LYS 844 Ca 0.31 -0.50 -0.05 0.00 -0.36 0.00 0.00 55.97 55.38 1fvr s LYS 844 Cb 0.07 -3.03 0.05 0.00 -1.51 0.00 0.00 37.83 33.40 1fvr s LYS 844 CO 0.15 0.14 0.23 0.21 -0.36 0.00 0.00 175.35 175.72 1fvr s LYS 845 N 0.67 0.19 -1.48 4.03 2.20 0.27 -4.86 119.74 120.75 1fvr s LYS 845 Ca -0.01 0.52 -0.12 0.00 -0.36 0.00 0.00 55.97 56.00 1fvr s LYS 845 Cb -0.14 -0.13 0.06 0.00 -1.51 0.00 0.00 37.83 36.11 1fvr s LYS 845 CO 0.02 -0.17 1.06 -0.25 -0.36 0.00 0.00 175.35 175.65 1fvr n ASP 846 N 4.29 -5.37 0.00 1.43 8.00 -1.26 -1.36 116.55 122.28 1fvr n ASP 846 Ca -0.25 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1fvr n ASP 846 Cb 0.53 -4.27 0.00 0.00 -0.02 0.00 0.00 41.12 37.36 1fvr n ASP 846 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fvr n GLY 847 N -1.80 1.25 3.47 0.44 0.00 -1.26 -5.01 105.19 102.28 1fvr n GLY 847 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1fvr n GLY 847 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fvr s LEU 848 N 0.00 2.65 -0.04 0.99 1.43 -0.46 -5.11 118.68 118.15 1fvr s LEU 848 Ca 0.00 -0.50 -0.25 0.00 -1.03 0.00 0.00 54.13 52.35 1fvr s LEU 848 Cb 0.00 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 1fvr s LEU 848 CO 0.00 0.21 0.76 -0.13 0.23 0.00 0.00 176.35 177.43 1fvr s ARG 849 N -1.81 4.47 0.11 1.70 1.81 -1.26 -0.57 118.95 123.40 1fvr s ARG 849 Ca 0.16 1.01 -0.05 0.00 -1.72 0.00 0.00 55.73 55.14 1fvr s ARG 849 Cb -0.11 -3.44 -0.02 0.00 -0.45 0.00 0.00 34.95 30.93 1fvr s ARG 849 CO 0.08 0.08 0.12 0.00 -0.68 0.00 0.00 175.30 174.90 1fvr s MET 850 N 0.70 0.90 0.47 3.54 0.23 -0.17 -4.97 119.30 120.00 1fvr s MET 850 Ca 0.40 -1.22 -0.20 0.00 -1.03 0.00 0.00 55.69 53.64 1fvr s MET 850 Cb -0.19 0.29 -0.09 0.00 -1.53 0.00 0.00 34.83 33.31 1fvr s MET 850 CO 0.21 -0.27 1.00 -0.51 -2.03 0.00 0.00 175.02 173.42 1fvr s ASP 851 N -2.96 6.57 0.20 -1.18 -0.00 -1.26 -1.20 116.67 116.84 1fvr s ASP 851 Ca 0.15 1.83 -0.22 0.00 -0.00 0.00 0.00 52.55 54.30 1fvr s ASP 851 Cb 0.06 -2.55 0.07 0.00 -0.00 0.00 0.00 42.92 40.50 1fvr s ASP 851 CO -0.04 -0.62 0.97 0.00 -0.00 0.00 0.00 175.17 175.48 1fvr s ALA 852 N -2.08 -1.51 0.08 5.23 0.00 -0.20 -4.57 121.76 118.72 1fvr s ALA 852 Ca 0.65 -0.20 0.07 0.00 0.00 0.00 0.00 51.96 52.47 1fvr s ALA 852 Cb -0.13 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.66 1fvr s ALA 852 CO 0.18 -1.05 -0.18 0.00 0.00 0.00 0.00 175.76 174.71 1fvr s ALA 853 N -2.66 1.51 -0.11 0.00 0.00 -0.63 -0.13 121.76 119.74 1fvr s ALA 853 Ca 0.17 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 51.03 1fvr s ALA 853 Cb -0.02 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.93 1fvr s ALA 853 CO 0.05 0.27 -0.15 0.42 0.00 0.00 0.00 175.76 176.35 1fvr s ILE 854 N -1.19 1.49 -0.30 0.00 1.01 0.18 -0.68 121.20 121.70 1fvr s ILE 854 Ca 0.03 -0.64 -0.13 0.00 0.00 0.00 0.00 60.65 59.91 1fvr s ILE 854 Cb -0.10 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 1fvr s ILE 854 CO 0.03 0.44 0.25 -0.75 0.00 0.00 0.00 174.94 174.91 1fvr s LYS 855 N 0.96 3.78 -0.21 2.79 2.47 0.07 -0.23 119.74 129.38 1fvr s LYS 855 Ca -0.07 -0.37 -0.22 0.00 -1.56 0.00 0.00 55.97 53.75 1fvr s LYS 855 Cb -0.15 -3.72 -0.02 0.00 -1.46 0.00 0.00 37.83 32.48 1fvr s LYS 855 CO -0.01 -0.31 0.67 0.50 0.16 0.00 0.00 175.35 176.36 1fvr s ARG 856 N 1.83 4.20 -0.19 4.03 3.52 -1.26 -1.15 118.95 129.94 1fvr s ARG 856 Ca 0.08 0.68 0.00 0.00 -0.13 0.00 0.00 55.73 56.37 1fvr s ARG 856 Cb -0.16 -3.59 0.02 0.00 -1.56 0.00 0.00 34.95 29.65 1fvr s ARG 856 CO 0.11 -0.30 -0.18 -1.64 -0.81 0.00 0.00 175.30 172.48 1fvr s MET 857 N 2.11 3.02 0.01 5.12 -1.94 -0.10 -4.97 119.30 122.55 1fvr s MET 857 Ca 0.30 -0.81 -0.30 0.00 -1.71 0.00 0.00 55.69 53.16 1fvr s MET 857 Cb -0.16 -2.62 -0.05 0.00 2.01 0.00 0.00 34.83 34.01 1fvr s MET 857 CO 0.10 -0.21 1.28 -1.59 -0.01 0.00 0.00 175.02 174.58 1fvr s LYS 858 N 1.31 4.35 0.26 2.03 0.00 -1.26 -0.40 119.74 126.03 1fvr s LYS 858 Ca 0.05 1.82 0.25 0.00 0.00 0.00 0.00 55.97 58.09 1fvr s LYS 858 Cb -0.13 -3.48 0.54 0.00 0.00 0.00 0.00 37.83 34.75 1fvr s LYS 858 CO -0.12 -0.43 1.60 0.93 0.00 0.00 0.00 175.35 177.33 1fvr h GLU 859 N 7.34 0.00 -4.89 1.78 5.08 -1.85 -3.46 114.58 118.58 1fvr h GLU 859 Ca -0.38 0.00 -0.71 0.00 -1.00 0.00 0.00 59.36 57.27 1fvr h GLU 859 Cb 1.19 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.25 1fvr h GLU 859 CO 0.87 0.00 0.93 0.71 -1.00 0.00 0.00 179.01 180.52 1fvr s TYR 860 N -3.16 3.26 0.00 4.33 4.12 -1.26 -4.87 117.35 119.77 1fvr s TYR 860 Ca 0.08 -1.63 0.00 0.00 0.02 0.00 0.00 57.07 55.54 1fvr s TYR 860 Cb 0.10 -4.26 0.00 0.00 -1.52 0.00 0.00 41.96 36.28 1fvr s TYR 860 CO 0.65 -1.44 0.00 2.89 0.02 0.00 0.00 175.55 177.68 1fvr n ARG 867 N 6.15 0.00 0.13 -0.62 0.00 -1.26 -5.12 116.66 115.95 1fvr n ARG 867 Ca 0.27 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 58.14 1fvr n ARG 867 Cb 0.47 0.00 0.37 0.00 -0.00 0.00 0.00 32.46 33.30 1fvr n ARG 867 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 1fvr h ASP 868 N 0.00 0.19 -0.01 2.89 1.82 -2.00 -1.94 116.42 117.37 1fvr h ASP 868 Ca 0.00 -0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.58 1fvr h ASP 868 Cb 0.00 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 39.96 1fvr h ASP 868 CO 0.00 0.40 -0.04 0.15 -1.61 0.00 0.00 179.24 178.14 1fvr h PHE 869 N 0.18 0.06 0.00 0.28 3.57 -1.89 -3.09 116.94 116.05 1fvr h PHE 869 Ca 0.03 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1fvr h PHE 869 Cb 0.46 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 1fvr h PHE 869 CO 0.01 0.71 -0.02 0.00 -2.23 0.00 0.00 178.31 176.77 1fvr h ALA 870 N 0.34 1.82 0.01 2.41 0.00 -1.90 -2.11 119.26 119.83 1fvr h ALA 870 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1fvr h ALA 870 Cb 0.72 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1fvr h ALA 870 CO 0.01 0.03 -0.00 0.78 0.00 0.00 0.00 179.25 180.06 1fvr h GLY 871 N 0.08 -0.01 2.00 0.00 0.00 -1.36 -2.40 103.07 101.39 1fvr h GLY 871 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1fvr h GLY 871 CO 0.00 -0.00 0.00 -1.84 0.00 0.00 0.00 176.54 174.70 1fvr n GLU 872 N -4.88 0.08 0.04 4.80 0.28 -1.08 -2.76 120.64 117.13 1fvr n GLU 872 Ca -0.08 0.19 -0.12 0.00 -0.16 0.00 0.00 57.16 56.98 1fvr n GLU 872 Cb 0.24 -1.62 -0.14 0.00 1.43 0.00 0.00 31.44 31.35 1fvr n GLU 872 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1fvr h LEU 873 N 0.00 0.19 -0.70 -1.84 5.85 -1.34 -2.67 115.31 114.80 1fvr h LEU 873 Ca 0.00 -0.29 -0.13 0.00 0.84 0.00 0.00 57.88 58.30 1fvr h LEU 873 Cb 0.45 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1fvr h LEU 873 CO 0.00 1.24 -0.40 -0.08 -0.34 0.00 0.00 178.44 178.86 1fvr h GLU 874 N 0.03 0.53 -0.11 1.25 4.81 -1.24 -2.28 114.58 117.58 1fvr h GLU 874 Ca -0.21 -0.27 -0.04 0.00 -0.13 0.00 0.00 59.36 58.71 1fvr h GLU 874 Cb 1.96 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.34 1fvr h GLU 874 CO 0.13 0.85 -0.09 0.28 -0.73 0.00 0.00 179.01 179.45 1fvr h VAL 875 N 0.44 1.34 -0.40 0.32 2.07 -1.60 -3.09 116.25 115.33 1fvr h VAL 875 Ca 0.04 -1.20 0.09 0.00 0.82 0.00 0.00 66.70 66.45 1fvr h VAL 875 Cb 0.90 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 1fvr h VAL 875 CO 0.08 0.34 0.28 -0.07 0.02 0.00 0.00 177.57 178.22 1fvr h LEU 876 N -0.12 0.11 -0.10 2.57 3.38 -1.34 -0.65 115.31 119.16 1fvr h LEU 876 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1fvr h LEU 876 Cb 0.59 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1fvr h LEU 876 CO 0.02 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.62 1fvr n LYS 878 N -1.92 0.94 -0.25 0.00 4.76 -0.26 -4.36 118.16 117.07 1fvr n LYS 878 Ca 0.05 -0.63 -0.06 0.00 -2.87 0.00 0.00 58.31 54.80 1fvr n LYS 878 Cb 0.34 -1.49 0.05 0.00 -1.84 0.00 0.00 35.03 32.09 1fvr n LYS 878 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1fvr h LEU 879 N 1.54 0.89 0.00 -0.35 3.38 -1.50 -3.48 115.31 115.78 1fvr h LEU 879 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1fvr h LEU 879 Cb 0.57 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1fvr h LEU 879 CO 0.00 0.75 0.00 0.61 0.09 0.00 0.00 178.44 179.89 1fvr n GLY 880 N -1.01 0.11 3.05 0.83 0.00 -1.26 -4.83 105.19 102.08 1fvr n GLY 880 Ca 0.06 -0.93 -0.17 0.00 0.00 0.00 0.00 46.02 44.97 1fvr n GLY 880 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1fvr s HIS 881 N 0.00 0.84 -0.28 1.61 0.09 -1.26 -4.76 115.29 111.53 1fvr s HIS 881 Ca 0.00 -0.27 -0.25 0.00 -0.00 0.00 0.00 55.06 54.54 1fvr s HIS 881 Cb 0.00 -0.52 0.09 0.00 -0.00 0.00 0.00 32.58 32.16 1fvr s HIS 881 CO 0.00 -0.01 0.86 -1.58 -0.00 0.00 0.00 174.74 174.01 1fvr s HIS 882 N -0.62 -0.66 0.50 1.40 5.04 -1.26 -5.05 115.29 114.64 1fvr s HIS 882 Ca -0.00 1.59 0.19 0.00 -1.54 0.00 0.00 55.06 55.29 1fvr s HIS 882 Cb -0.06 0.32 1.26 0.00 0.04 0.00 0.00 32.58 34.14 1fvr s HIS 882 CO 0.00 -0.32 2.06 -1.35 -2.34 0.00 0.00 174.74 172.80 1fvr h PRO 883 N 4.73 0.09 -0.76 2.88 0.11 -2.00 -2.85 132.00 134.21 1fvr h PRO 883 Ca -0.29 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.68 1fvr h PRO 883 Cb 1.17 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.18 1fvr h PRO 883 CO 0.08 0.06 0.18 0.09 -0.21 0.00 0.00 178.00 178.20 1fvr n ASN 884 N -4.46 4.62 -4.36 -2.05 5.03 -1.26 -4.77 115.26 108.00 1fvr n ASN 884 Ca 0.04 -2.98 -0.18 0.00 0.87 0.00 0.00 54.58 52.33 1fvr n ASN 884 Cb 0.33 -0.70 -0.10 0.00 -1.02 0.00 0.00 39.78 38.29 1fvr n ASN 884 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1fvr s ILE 885 N -2.60 0.92 -0.26 2.41 -4.36 -1.08 -1.33 121.20 114.90 1fvr s ILE 885 Ca 0.47 -2.01 -0.26 0.00 -0.26 0.00 0.00 60.65 58.59 1fvr s ILE 885 Cb 0.37 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 41.50 1fvr s ILE 885 CO 0.12 -0.11 0.89 -0.63 0.24 0.00 0.00 174.94 175.45 1fvr s ILE 886 N -3.50 4.76 0.22 8.37 -1.09 -0.73 -4.61 121.20 124.63 1fvr s ILE 886 Ca 0.34 1.61 -0.11 0.00 -2.23 0.00 0.00 60.65 60.26 1fvr s ILE 886 Cb 0.07 -4.19 -0.07 0.00 -1.58 0.00 0.00 42.46 36.69 1fvr s ILE 886 CO 0.12 -0.17 0.56 0.20 -1.23 0.00 0.00 174.94 174.43 1fvr s ASN 887 N 1.39 6.67 -0.01 3.58 0.01 -1.26 -4.82 114.94 120.51 1fvr s ASN 887 Ca 0.37 0.97 -0.25 0.00 -0.71 0.00 0.00 52.86 53.24 1fvr s ASN 887 Cb -0.15 -2.25 -0.04 0.00 0.41 0.00 0.00 41.25 39.22 1fvr s ASN 887 CO 0.09 -0.05 0.78 -0.76 -1.51 0.00 0.00 177.10 175.66 1fvr s LEU 888 N -2.66 4.38 -0.01 0.60 1.43 -1.26 -1.74 118.68 119.42 1fvr s LEU 888 Ca 0.46 1.39 0.17 0.00 -1.03 0.00 0.00 54.13 55.13 1fvr s LEU 888 Cb -0.12 -3.24 -0.22 0.00 0.03 0.00 0.00 46.19 42.64 1fvr s LEU 888 CO 0.20 -0.09 0.59 0.18 0.23 0.00 0.00 176.35 177.47 1fvr n LEU 889 N 3.40 0.49 0.00 1.79 4.77 0.64 -4.96 117.00 123.13 1fvr n LEU 889 Ca -0.00 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 1fvr n LEU 889 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1fvr n LEU 889 CO 0.48 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1fvr n GLY 890 N 1.44 -0.18 3.32 -0.72 0.00 -1.21 -4.04 105.19 103.80 1fvr n GLY 890 Ca 0.01 -1.56 -0.15 0.00 0.00 0.00 0.00 46.02 44.32 1fvr n GLY 890 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fvr s ALA 891 N -1.62 -1.07 -0.07 4.61 0.00 -0.76 -0.65 121.76 122.20 1fvr s ALA 891 Ca 0.00 0.65 -0.00 0.00 0.00 0.00 0.00 51.96 52.61 1fvr s ALA 891 Cb 0.00 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.16 1fvr s ALA 891 CO 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 175.76 175.44 1fvr s GLU 893 N 1.45 4.41 -0.25 0.00 2.56 -1.26 0.35 118.70 125.95 1fvr s GLU 893 Ca -0.02 0.93 -0.07 0.00 0.00 0.00 0.00 54.97 55.81 1fvr s GLU 893 Cb -0.13 -3.48 0.12 0.00 2.00 0.00 0.00 34.13 32.64 1fvr s GLU 893 CO -0.03 -0.04 0.51 -1.58 -0.56 0.00 0.00 175.26 173.56 1fvr s HIS 894 N 1.13 -1.06 -1.55 5.30 2.46 0.00 -4.95 115.29 116.62 1fvr s HIS 894 Ca 0.38 1.73 -0.12 0.00 0.47 0.00 0.00 55.06 57.52 1fvr s HIS 894 Cb -0.18 0.46 0.09 0.00 -0.13 0.00 0.00 32.58 32.82 1fvr s HIS 894 CO 0.17 -0.61 0.84 0.54 -2.47 0.00 0.00 174.74 173.21 1fvr n ARG 895 N 5.41 -4.57 -0.08 2.88 1.74 -1.26 -1.86 116.66 118.93 1fvr n ARG 895 Ca -0.08 0.52 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 1fvr n ARG 895 Cb 0.50 -5.24 0.00 0.00 -1.02 0.00 0.00 32.46 26.69 1fvr n ARG 895 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fvr n GLY 896 N -1.63 1.12 3.42 -0.13 0.00 -1.26 -5.04 105.19 101.67 1fvr n GLY 896 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1fvr n GLY 896 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fvr s TYR 897 N -2.48 2.45 -0.27 1.61 2.02 -0.78 -2.42 117.35 117.48 1fvr s TYR 897 Ca 0.00 -0.32 -0.12 0.00 -0.37 0.00 0.00 57.07 56.26 1fvr s TYR 897 Cb 0.00 -1.38 -0.05 0.00 -0.40 0.00 0.00 41.96 40.13 1fvr s TYR 897 CO 0.00 0.26 0.23 -1.17 -1.57 0.00 0.00 175.55 173.31 1fvr s LEU 898 N -1.64 4.03 -0.57 -1.29 2.96 0.47 -0.82 118.68 121.82 1fvr s LEU 898 Ca 0.14 0.07 -0.17 0.00 -0.22 0.00 0.00 54.13 53.95 1fvr s LEU 898 Cb -0.10 -2.19 0.12 0.00 0.50 0.00 0.00 46.19 44.51 1fvr s LEU 898 CO 0.06 -0.07 0.61 -0.31 -1.32 0.00 0.00 176.35 175.31 1fvr s TYR 899 N 1.76 3.12 -0.30 5.38 2.02 0.15 -0.92 117.35 128.57 1fvr s TYR 899 Ca 0.09 -1.12 -0.22 0.00 -0.37 0.00 0.00 57.07 55.45 1fvr s TYR 899 Cb -0.16 -3.91 -0.01 0.00 -0.40 0.00 0.00 41.96 37.48 1fvr s TYR 899 CO 0.10 -1.17 0.70 -1.17 -1.57 0.00 0.00 175.55 172.45 1fvr s LEU 900 N 2.16 4.11 -0.07 -1.29 2.96 -0.30 -0.78 118.68 125.47 1fvr s LEU 900 Ca 0.07 0.57 -0.21 0.00 -0.22 0.00 0.00 54.13 54.35 1fvr s LEU 900 Cb -0.27 -2.94 -0.04 0.00 0.50 0.00 0.00 46.19 43.44 1fvr s LEU 900 CO 0.05 -0.52 0.61 0.00 -1.32 0.00 0.00 176.35 175.17 1fvr s ALA 901 N 2.75 3.40 0.27 5.97 0.00 0.17 -0.75 121.76 133.57 1fvr s ALA 901 Ca 0.29 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.28 1fvr s ALA 901 Cb -0.15 -2.82 -0.05 0.00 0.00 0.00 0.00 23.12 20.09 1fvr s ALA 901 CO 0.11 -0.03 0.07 0.96 0.00 0.00 0.00 175.76 176.88 1fvr s ILE 902 N 0.59 0.78 0.35 0.00 -4.36 0.14 -0.26 121.20 118.45 1fvr s ILE 902 Ca 0.33 -2.00 -0.28 0.00 -0.26 0.00 0.00 60.65 58.43 1fvr s ILE 902 Cb -0.17 -2.60 -0.11 0.00 1.25 0.00 0.00 42.46 40.83 1fvr s ILE 902 CO 0.15 -0.07 1.45 -1.61 0.24 0.00 0.00 174.94 175.10 1fvr s GLU 903 N -3.97 4.18 -0.08 0.37 2.02 -0.71 -1.61 118.70 118.90 1fvr s GLU 903 Ca 0.35 2.47 -0.15 0.00 0.02 0.00 0.00 54.97 57.66 1fvr s GLU 903 Cb 0.08 -3.00 -0.05 0.00 0.10 0.00 0.00 34.13 31.25 1fvr s GLU 903 CO 0.13 -0.45 0.40 -0.47 0.02 0.00 0.00 175.26 174.88 1fvr s TYR 904 N -0.98 3.59 -0.44 1.61 5.04 -1.26 -4.54 117.35 120.37 1fvr s TYR 904 Ca 0.53 0.85 -0.11 0.00 -2.44 0.00 0.00 57.07 55.90 1fvr s TYR 904 Cb -0.45 -2.38 0.08 0.00 0.35 0.00 0.00 41.96 39.56 1fvr s TYR 904 CO 0.58 0.39 0.31 0.00 -1.34 0.00 0.00 175.55 175.49 1fvr s ALA 905 N -0.12 3.38 0.56 3.97 0.00 -1.26 -4.59 121.76 123.69 1fvr s ALA 905 Ca 0.22 -2.19 0.28 0.00 0.00 0.00 0.00 51.96 50.27 1fvr s ALA 905 Cb -0.15 -2.79 1.71 0.00 0.00 0.00 0.00 23.12 21.89 1fvr s ALA 905 CO 0.10 -1.70 2.22 -1.35 0.00 0.00 0.00 175.76 175.02 1fvr h PRO 906 N 8.51 0.00 -0.59 0.00 0.11 -1.84 -2.94 132.00 135.24 1fvr h PRO 906 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1fvr h PRO 906 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1fvr h PRO 906 CO 0.80 0.02 0.00 0.72 -0.21 0.00 0.00 178.00 179.33 1fvr n HIS 907 N -3.92 1.36 -4.62 0.65 8.25 -0.97 -5.08 115.22 110.90 1fvr n HIS 907 Ca -0.03 -0.63 0.00 0.00 -0.26 0.00 0.00 57.72 56.80 1fvr n HIS 907 Cb 0.10 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 30.98 1fvr n HIS 907 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1fvr n GLY 908 N 0.92 -0.73 3.84 -1.41 0.00 -1.11 -4.66 105.19 102.03 1fvr n GLY 908 Ca 0.24 -1.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.85 1fvr n GLY 908 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fvr s ASN 909 N -4.00 6.63 0.35 1.61 2.20 -1.26 -0.60 114.94 119.87 1fvr s ASN 909 Ca 0.00 1.57 0.03 0.00 -0.94 0.00 0.00 52.86 53.51 1fvr s ASN 909 Cb 0.00 -2.51 0.65 0.00 -2.00 0.00 0.00 41.25 37.39 1fvr s ASN 909 CO 0.00 -0.58 2.00 0.25 -2.94 0.00 0.00 177.10 175.84 1fvr h LEU 910 N 0.95 0.72 0.01 3.54 5.85 -0.20 -1.52 115.31 124.67 1fvr h LEU 910 Ca -0.47 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 1fvr h LEU 910 Cb 1.18 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1fvr h LEU 910 CO 0.61 0.52 -0.01 0.25 -0.34 0.00 0.00 178.44 179.48 1fvr h LEU 911 N 0.85 -0.01 -0.86 2.25 5.85 -1.80 0.12 115.31 121.71 1fvr h LEU 911 Ca 0.24 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1fvr h LEU 911 Cb -0.05 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1fvr h LEU 911 CO -0.06 0.08 0.43 -0.78 -0.34 0.00 0.00 178.44 177.78 1fvr h ASP 912 N -0.11 1.12 -0.57 1.25 3.58 -1.86 -1.43 116.42 118.39 1fvr h ASP 912 Ca -0.00 -0.13 -0.03 0.00 0.42 0.00 0.00 57.03 57.29 1fvr h ASP 912 Cb 0.11 -0.29 -0.03 0.00 1.72 0.00 0.00 39.33 40.84 1fvr h ASP 912 CO 0.00 0.93 0.23 0.15 -2.88 0.00 0.00 179.24 177.67 1fvr h PHE 913 N 1.22 0.87 -0.48 0.28 3.57 -0.86 -0.70 116.94 120.85 1fvr h PHE 913 Ca 0.30 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 1fvr h PHE 913 Cb 0.10 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 1fvr h PHE 913 CO 0.01 0.70 0.19 -0.07 -2.23 0.00 0.00 178.31 176.91 1fvr h LEU 914 N 0.79 0.67 -0.89 0.59 3.38 -0.43 -2.85 115.31 116.56 1fvr h LEU 914 Ca 0.19 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1fvr h LEU 914 Cb 0.20 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1fvr h LEU 914 CO -0.02 0.66 -0.43 0.03 0.09 0.00 0.00 178.44 178.77 1fvr h ARG 915 N 0.63 0.28 0.00 1.13 3.08 -1.07 -2.51 114.38 115.92 1fvr h ARG 915 Ca 0.16 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1fvr h ARG 915 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1fvr h ARG 915 CO -0.01 0.66 0.00 1.63 -1.07 0.00 0.00 179.97 181.17 1fvr n LYS 916 N -4.01 0.18 0.00 0.04 5.02 -0.29 -2.67 118.16 116.43 1fvr n LYS 916 Ca -0.02 0.09 0.12 0.00 -2.02 0.00 0.00 58.31 56.49 1fvr n LYS 916 Cb 0.49 -1.50 0.28 0.00 -0.02 0.00 0.00 35.03 34.28 1fvr n LYS 916 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1fvr n SER 917 N -1.38 0.79 -3.66 4.39 3.41 -0.94 -4.60 113.62 111.63 1fvr n SER 917 Ca 0.08 -0.60 -0.43 0.00 -0.26 0.00 0.00 58.87 57.67 1fvr n SER 917 Cb 0.22 0.24 -0.05 0.00 -0.26 0.00 0.00 64.21 64.36 1fvr n SER 917 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1fvr n ARG 918 N -1.09 1.72 0.26 4.33 1.74 -1.09 -2.20 116.66 120.33 1fvr n ARG 918 Ca 0.08 -1.98 0.18 0.00 -0.77 0.00 0.00 57.85 55.37 1fvr n ARG 918 Cb 0.34 -2.99 0.91 0.00 -1.02 0.00 0.00 32.46 29.71 1fvr n ARG 918 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 1fvr h VAL 919 N 4.43 0.30 0.00 1.55 3.04 -1.81 -0.07 116.25 123.68 1fvr h VAL 919 Ca 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.13 1fvr h VAL 919 Cb 0.67 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 30.80 1fvr h VAL 919 CO 1.94 0.00 0.00 -0.11 -1.01 0.00 0.00 177.57 178.39 1fvr n LEU 920 N -3.50 0.39 -0.05 3.16 7.94 -1.26 0.07 117.00 123.75 1fvr n LEU 920 Ca -0.00 0.62 -0.06 0.00 -1.11 0.00 0.00 56.01 55.46 1fvr n LEU 920 Cb 0.27 -0.59 -0.05 0.00 0.53 0.00 0.00 43.42 43.58 1fvr n LEU 920 CO 0.23 -0.53 -0.80 -0.62 -1.11 0.00 0.00 177.39 174.57 1fvr n GLU 921 N -1.95 1.20 0.05 1.96 1.02 -0.08 -4.15 120.64 118.69 1fvr n GLU 921 Ca 0.02 0.03 -0.08 0.00 -0.02 0.00 0.00 57.16 57.11 1fvr n GLU 921 Cb 0.15 -1.20 -0.13 0.00 -0.02 0.00 0.00 31.44 30.25 1fvr n GLU 921 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1fvr h THR 922 N 0.00 1.52 -0.20 2.62 1.35 -1.29 -3.42 112.91 113.50 1fvr h THR 922 Ca -0.22 -3.24 -0.25 0.00 -0.55 0.00 0.00 66.41 62.15 1fvr h THR 922 Cb 1.40 2.78 -0.16 0.00 -1.73 0.00 0.00 68.15 70.43 1fvr h THR 922 CO -0.02 0.88 -0.55 -0.67 -0.25 0.00 0.00 175.52 174.91 1fvr n ASP 923 N -3.31 -2.63 -0.22 5.36 2.03 0.11 -5.03 116.55 112.85 1fvr n ASP 923 Ca -0.04 -3.25 0.31 0.00 0.52 0.00 0.00 54.79 52.33 1fvr n ASP 923 Cb 0.97 1.61 0.73 0.00 -0.72 0.00 0.00 41.12 43.71 1fvr n ASP 923 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1fvr h PRO 924 N 4.01 0.00 0.05 -0.67 0.13 -1.63 -1.58 132.00 132.33 1fvr h PRO 924 Ca -0.13 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1fvr h PRO 924 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1fvr h PRO 924 CO 0.34 0.00 -0.03 0.00 -0.23 0.00 0.00 178.00 178.08 1fvr h ALA 925 N 1.41 -0.07 -0.54 -0.56 0.00 -1.93 0.13 119.26 117.69 1fvr h ALA 925 Ca 0.47 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.27 1fvr h ALA 925 Cb 1.99 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.77 1fvr h ALA 925 CO -0.00 -0.42 0.34 0.35 0.00 0.00 0.00 179.25 179.51 1fvr h PHE 926 N -0.31 0.63 0.09 0.00 3.57 -1.65 0.16 116.94 119.42 1fvr h PHE 926 Ca -0.01 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1fvr h PHE 926 Cb 0.28 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1fvr h PHE 926 CO 0.01 0.37 -0.14 0.00 -2.23 0.00 0.00 178.31 176.32 1fvr h ALA 927 N 1.23 -0.24 -0.37 2.41 0.00 -1.25 0.18 119.26 121.23 1fvr h ALA 927 Ca 0.21 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1fvr h ALA 927 Cb -0.00 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1fvr h ALA 927 CO -0.08 -0.66 0.10 0.82 0.00 0.00 0.00 179.25 179.43 1fvr h ILE 928 N -0.28 1.22 -0.31 0.00 1.08 -0.51 0.22 117.51 118.92 1fvr h ILE 928 Ca 0.02 -0.74 0.01 0.00 -0.39 0.00 0.00 64.86 63.76 1fvr h ILE 928 Cb 0.29 1.01 -0.02 0.00 -3.07 0.00 0.00 36.82 35.03 1fvr h ILE 928 CO -0.07 0.25 0.21 0.00 -0.69 0.00 0.00 178.15 177.85 1fvr h ALA 929 N 0.94 1.81 -0.51 1.87 0.00 -0.46 -2.25 119.26 120.65 1fvr h ALA 929 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1fvr h ALA 929 Cb 0.29 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1fvr h ALA 929 CO -0.00 0.17 0.00 0.09 0.00 0.00 0.00 179.25 179.51 1fvr n ASN 930 N -4.49 3.44 -4.20 0.00 3.02 0.61 -4.97 115.26 108.68 1fvr n ASN 930 Ca 0.02 -2.05 -0.34 0.00 -0.03 0.00 0.00 54.58 52.18 1fvr n ASN 930 Cb 0.09 -0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 38.87 1fvr n ASN 930 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1fvr n SER 931 N 0.96 -2.44 -4.16 6.41 7.64 0.62 -4.94 113.62 117.71 1fvr n SER 931 Ca 0.18 -1.04 -0.17 0.00 1.01 0.00 0.00 58.87 58.85 1fvr n SER 931 Cb 0.54 -2.69 -0.12 0.00 -1.01 0.00 0.00 64.21 60.93 1fvr n SER 931 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1fvr s THR 932 N -3.47 1.03 -2.20 0.44 -1.32 -0.32 -1.96 115.64 107.84 1fvr s THR 932 Ca 0.57 -1.37 0.21 0.00 -1.21 0.00 0.00 61.69 59.89 1fvr s THR 932 Cb -0.31 -1.10 0.06 0.00 -1.51 0.00 0.00 72.50 69.64 1fvr s THR 932 CO 0.93 -0.32 1.08 0.00 -2.21 0.00 0.00 174.62 174.10 1fvr n ALA 933 N 1.11 3.08 -3.40 11.08 0.00 0.92 -4.55 120.51 128.74 1fvr n ALA 933 Ca -0.20 -0.64 -0.16 0.00 0.00 0.00 0.00 53.44 52.45 1fvr n ALA 933 Cb 0.55 -0.73 -0.06 0.00 0.00 0.00 0.00 19.45 19.21 1fvr n ALA 933 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1fvr s SER 934 N -2.12 -0.51 0.00 0.00 0.15 -1.26 -3.62 113.70 106.35 1fvr s SER 934 Ca 0.20 0.43 0.30 0.00 0.70 0.00 0.00 55.95 57.58 1fvr s SER 934 Cb 0.17 0.48 1.46 0.00 -1.71 0.00 0.00 66.02 66.42 1fvr s SER 934 CO 0.43 -0.62 2.02 0.35 1.20 0.00 0.00 173.24 176.62 1fvr n THR 935 N 0.81 0.00 -4.15 6.45 -2.24 -0.94 -4.73 114.28 109.48 1fvr n THR 935 Ca -0.19 -0.01 -0.35 0.00 -2.27 0.00 0.00 64.05 61.23 1fvr n THR 935 Cb 0.58 -0.44 -0.09 0.00 -2.10 0.00 0.00 70.33 68.28 1fvr n THR 935 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1fvr s LEU 936 N -2.59 3.79 0.56 3.22 1.43 -1.26 -5.11 118.68 118.73 1fvr s LEU 936 Ca 0.27 0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 53.50 1fvr s LEU 936 Cb 0.20 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.52 1fvr s LEU 936 CO 0.47 0.29 0.84 -0.94 0.23 0.00 0.00 176.35 177.24 1fvr s SER 937 N -0.35 5.48 0.26 2.29 1.04 -1.26 -4.91 113.70 116.25 1fvr s SER 937 Ca 0.08 0.43 -0.03 0.00 0.48 0.00 0.00 55.95 56.91 1fvr s SER 937 Cb -0.12 -1.42 0.37 0.00 0.10 0.00 0.00 66.02 64.94 1fvr s SER 937 CO 0.02 -1.07 1.89 -1.28 0.98 0.00 0.00 173.24 173.78 1fvr h SER 938 N -0.05 1.05 -0.66 7.02 0.87 -1.96 -1.28 113.55 118.55 1fvr h SER 938 Ca -0.45 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.08 1fvr h SER 938 Cb 1.27 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.97 1fvr h SER 938 CO 0.58 0.69 0.30 1.56 -0.53 0.00 0.00 176.83 179.44 1fvr h GLN 939 N 1.21 0.96 -0.38 2.24 1.08 -1.94 -1.46 115.11 116.82 1fvr h GLN 939 Ca 0.41 -0.15 -0.11 0.00 -1.45 0.00 0.00 58.65 57.35 1fvr h GLN 939 Cb 0.09 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 1fvr h GLN 939 CO -0.15 0.78 -0.22 1.96 -0.95 0.00 0.00 178.83 180.25 1fvr h GLN 940 N 0.92 0.75 -0.33 1.46 4.20 -1.76 -0.86 115.11 119.48 1fvr h GLN 940 Ca 0.22 -0.30 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 1fvr h GLN 940 Cb 0.15 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1fvr h GLN 940 CO -0.03 0.90 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.91 1fvr h LEU 941 N 0.65 0.62 -1.06 1.46 3.38 -1.05 -2.19 115.31 117.13 1fvr h LEU 941 Ca 0.09 -0.35 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 1fvr h LEU 941 Cb 0.72 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1fvr h LEU 941 CO 0.06 0.83 -0.26 -0.07 0.09 0.00 0.00 178.44 179.09 1fvr h LEU 942 N 0.41 0.35 -1.49 1.67 3.38 -1.15 -2.14 115.31 116.34 1fvr h LEU 942 Ca 0.09 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1fvr h LEU 942 Cb 0.55 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1fvr h LEU 942 CO 0.03 0.61 -0.26 0.45 0.09 0.00 0.00 178.44 179.36 1fvr h HIS 943 N 0.32 0.00 -0.22 1.13 3.86 -0.94 0.15 115.15 119.44 1fvr h HIS 943 Ca 0.05 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.19 1fvr h HIS 943 Cb 0.63 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 1fvr h HIS 943 CO 0.02 0.26 -0.13 0.74 0.86 0.00 0.00 177.93 179.68 1fvr h PHE 944 N 0.00 0.55 -0.63 2.45 0.05 -0.77 -0.20 116.94 118.40 1fvr h PHE 944 Ca -0.00 -0.14 -0.01 0.00 3.82 0.00 0.00 57.97 61.63 1fvr h PHE 944 Cb 0.48 -0.13 -0.03 0.00 2.00 0.00 0.00 35.95 38.27 1fvr h PHE 944 CO 0.00 0.77 0.35 0.00 -0.18 0.00 0.00 178.31 179.25 1fvr h ALA 945 N 0.70 0.81 -0.57 2.45 0.00 -0.91 -2.19 119.26 119.56 1fvr h ALA 945 Ca 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1fvr h ALA 945 Cb 0.63 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1fvr h ALA 945 CO 0.04 0.32 0.23 0.00 0.00 0.00 0.00 179.25 179.84 1fvr h ALA 946 N 1.17 0.73 -0.43 0.00 0.00 -0.64 -1.75 119.26 118.33 1fvr h ALA 946 Ca 0.22 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1fvr h ALA 946 Cb 0.03 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1fvr h ALA 946 CO -0.04 0.34 0.14 -0.44 0.00 0.00 0.00 179.25 179.26 1fvr h ASP 947 N 0.77 0.14 -0.42 0.00 3.45 -0.63 0.90 116.42 120.63 1fvr h ASP 947 Ca 0.19 0.05 -0.10 0.00 0.43 0.00 0.00 57.03 57.60 1fvr h ASP 947 Cb 0.19 0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 38.98 1fvr h ASP 947 CO -0.02 0.11 -0.13 0.58 -1.57 0.00 0.00 179.24 178.21 1fvr h VAL 948 N 0.31 1.28 -0.60 -1.35 2.07 -1.23 -0.96 116.25 115.76 1fvr h VAL 948 Ca 0.20 -1.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 1fvr h VAL 948 Cb 0.20 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1fvr h VAL 948 CO -0.21 0.42 0.20 0.00 0.02 0.00 0.00 177.57 178.00 1fvr h ALA 949 N 0.85 1.22 -0.35 1.67 0.00 -0.96 0.24 119.26 121.93 1fvr h ALA 949 Ca 0.10 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1fvr h ALA 949 Cb 0.68 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1fvr h ALA 949 CO 0.05 0.55 -0.18 -0.09 0.00 0.00 0.00 179.25 179.58 1fvr h ARG 950 N 0.88 0.74 -0.41 0.00 2.43 -0.66 -1.25 114.38 116.11 1fvr h ARG 950 Ca 0.20 -0.33 -0.10 0.00 -0.81 0.00 0.00 59.98 58.94 1fvr h ARG 950 Cb 0.23 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1fvr h ARG 950 CO -0.01 0.94 -0.17 0.78 -1.51 0.00 0.00 179.97 179.99 1fvr h GLY 951 N 0.52 0.83 2.00 2.80 0.00 -0.70 -2.45 103.07 106.07 1fvr h GLY 951 Ca 0.08 -0.67 -0.11 0.00 0.00 0.00 0.00 47.33 46.63 1fvr h GLY 951 CO 0.05 0.61 -0.50 -0.33 0.00 0.00 0.00 176.54 176.37 1fvr h MET 952 N 0.68 0.00 -0.19 4.80 2.86 -0.41 -1.79 114.93 120.89 1fvr h MET 952 Ca 0.10 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.70 1fvr h MET 952 Cb 0.67 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 1fvr h MET 952 CO 0.05 0.50 -0.04 0.22 1.06 0.00 0.00 176.91 178.70 1fvr h ASP 953 N 0.00 0.36 -0.22 1.22 -0.00 -1.06 0.35 116.42 117.07 1fvr h ASP 953 Ca -0.01 -0.36 0.03 0.00 -0.00 0.00 0.00 57.03 56.70 1fvr h ASP 953 Cb 1.08 -0.10 -0.03 0.00 -0.00 0.00 0.00 39.33 40.28 1fvr h ASP 953 CO 0.07 0.64 0.01 0.22 -0.00 0.00 0.00 179.24 180.17 1fvr h TYR 954 N 0.08 0.00 -0.07 0.28 3.20 -1.26 -1.55 116.97 117.65 1fvr h TYR 954 Ca 0.05 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1fvr h TYR 954 Cb 0.48 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.78 1fvr h TYR 954 CO 0.05 -0.02 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.47 1fvr h LEU 955 N 0.08 0.13 -1.16 2.82 3.38 -1.23 -3.09 115.31 116.24 1fvr h LEU 955 Ca 0.10 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1fvr h LEU 955 Cb 0.12 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1fvr h LEU 955 CO -0.17 0.44 0.05 0.77 0.09 0.00 0.00 178.44 179.62 1fvr h SER 956 N -0.17 0.59 -0.01 -0.43 4.64 -0.91 -0.18 113.55 117.07 1fvr h SER 956 Ca 0.02 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1fvr h SER 956 Cb 0.37 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1fvr h SER 956 CO 0.01 0.63 0.02 1.56 -0.87 0.00 0.00 176.83 178.17 1fvr h GLN 957 N 0.60 0.00 -0.70 4.77 1.08 -1.26 0.12 115.11 119.73 1fvr h GLN 957 Ca 0.13 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.14 1fvr h GLN 957 Cb 0.31 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 27.63 1fvr h GLN 957 CO 0.01 0.00 0.23 1.63 -0.95 0.00 0.00 178.83 179.75 1fvr n LYS 958 N -3.75 3.71 -0.95 1.46 5.02 -0.18 -4.93 118.16 118.55 1fvr n LYS 958 Ca -0.03 -3.10 0.00 0.00 -2.02 0.00 0.00 58.31 53.17 1fvr n LYS 958 Cb 0.10 -2.19 0.00 0.00 -0.02 0.00 0.00 35.03 32.91 1fvr n LYS 958 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1fvr n GLN 959 N -0.16 -0.43 -2.54 1.97 1.13 0.43 -4.90 117.38 112.88 1fvr n GLN 959 Ca 0.39 0.11 -0.38 0.00 -1.94 0.00 0.00 57.00 55.18 1fvr n GLN 959 Cb 1.35 -3.47 -0.04 0.00 0.11 0.00 0.00 30.24 28.18 1fvr n GLN 959 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1fvr s PHE 960 N -2.12 3.43 -0.18 1.08 0.40 -0.61 -0.95 117.98 119.03 1fvr s PHE 960 Ca 0.00 1.68 0.00 0.00 -0.60 0.00 0.00 56.93 58.02 1fvr s PHE 960 Cb 0.00 -3.17 0.04 0.00 0.51 0.00 0.00 43.02 40.40 1fvr s PHE 960 CO 0.00 -0.51 -0.08 0.42 0.70 0.00 0.00 175.22 175.75 1fvr s ILE 961 N -1.45 1.39 -0.02 0.64 1.01 0.42 -4.14 121.20 119.04 1fvr s ILE 961 Ca 0.52 -0.81 -0.26 0.00 0.00 0.00 0.00 60.65 60.10 1fvr s ILE 961 Cb -0.26 -1.50 -0.20 0.00 0.01 0.00 0.00 42.46 40.51 1fvr s ILE 961 CO 0.32 0.17 1.24 -0.74 0.00 0.00 0.00 174.94 175.94 1fvr h HIS 962 N 8.04 -0.04 0.00 3.97 2.76 -1.90 -1.79 115.15 126.19 1fvr h HIS 962 Ca -0.27 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.90 1fvr h HIS 962 Cb 1.11 0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.08 1fvr h HIS 962 CO 0.48 0.43 0.00 0.54 -1.30 0.00 0.00 177.93 178.07 1fvr n ARG 963 N -4.88 0.00 -2.67 5.26 1.74 -1.26 -4.68 116.66 110.17 1fvr n ARG 963 Ca -0.08 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.88 1fvr n ARG 963 Cb 0.25 -0.34 0.02 0.00 -1.02 0.00 0.00 32.46 31.37 1fvr n ARG 963 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1fvr n ASP 964 N 0.57 1.83 -4.67 0.55 2.03 -1.26 -4.99 116.55 110.61 1fvr n ASP 964 Ca 0.00 -2.86 -0.43 0.00 0.52 0.00 0.00 54.79 52.03 1fvr n ASP 964 Cb 0.00 -0.53 -0.02 0.00 -0.72 0.00 0.00 41.12 39.85 1fvr n ASP 964 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1fvr s LEU 965 N -3.14 4.21 -0.02 -2.67 2.96 -1.26 -4.78 118.68 113.99 1fvr s LEU 965 Ca 0.30 1.76 -0.30 0.00 -0.22 0.00 0.00 54.13 55.68 1fvr s LEU 965 Cb 0.45 -3.54 0.11 0.00 0.50 0.00 0.00 46.19 43.70 1fvr s LEU 965 CO 0.00 -0.74 1.01 0.00 -1.32 0.00 0.00 176.35 175.30 1fvr s ALA 966 N 3.28 -1.89 0.38 5.97 0.00 -1.26 -4.63 121.76 123.61 1fvr s ALA 966 Ca 0.56 0.97 0.11 0.00 0.00 0.00 0.00 51.96 53.60 1fvr s ALA 966 Cb -0.23 0.33 0.88 0.00 0.00 0.00 0.00 23.12 24.10 1fvr s ALA 966 CO 0.17 -0.76 1.89 0.00 0.00 0.00 0.00 175.76 177.06 1fvr h ALA 967 N 2.00 1.91 0.00 0.00 0.00 -1.93 0.54 119.26 121.78 1fvr h ALA 967 Ca -0.20 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1fvr h ALA 967 Cb 1.22 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1fvr h ALA 967 CO 0.28 -0.13 -0.02 0.07 0.00 0.00 0.00 179.25 179.45 1fvr h ARG 968 N 0.61 0.00 -0.51 0.00 0.11 -1.95 -2.17 114.38 110.47 1fvr h ARG 968 Ca 0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.49 1fvr h ARG 968 Cb 0.72 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.80 1fvr h ARG 968 CO -0.17 0.02 0.00 0.09 0.10 0.00 0.00 179.97 180.01 1fvr n ASN 969 N -3.24 5.12 -4.22 0.08 3.02 0.18 -4.33 115.26 111.87 1fvr n ASN 969 Ca -0.02 -2.87 -0.31 0.00 -0.03 0.00 0.00 54.58 51.35 1fvr n ASN 969 Cb 0.16 -0.63 -0.17 0.00 -0.61 0.00 0.00 39.78 38.54 1fvr n ASN 969 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1fvr s ILE 970 N -2.62 2.00 -0.01 2.41 -1.09 -0.83 -1.17 121.20 119.90 1fvr s ILE 970 Ca 0.51 -1.00 0.01 0.00 -2.23 0.00 0.00 60.65 57.94 1fvr s ILE 970 Cb 0.38 -1.72 -0.04 0.00 -1.58 0.00 0.00 42.46 39.50 1fvr s ILE 970 CO 0.16 0.55 -0.01 -0.76 -1.23 0.00 0.00 174.94 173.65 1fvr s LEU 971 N 0.19 3.48 -0.55 2.97 1.43 0.10 0.24 118.68 126.54 1fvr s LEU 971 Ca -0.14 -0.01 -0.18 0.00 -1.03 0.00 0.00 54.13 52.78 1fvr s LEU 971 Cb -0.16 -1.97 0.10 0.00 0.03 0.00 0.00 46.19 44.18 1fvr s LEU 971 CO 0.07 0.29 0.60 -0.69 0.23 0.00 0.00 176.35 176.85 1fvr s VAL 972 N -1.05 4.98 0.00 -1.59 1.01 0.23 0.47 120.40 124.45 1fvr s VAL 972 Ca 0.19 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1fvr s VAL 972 Cb -0.11 -4.37 0.00 0.00 0.00 0.00 0.00 36.38 31.90 1fvr s VAL 972 CO 0.09 -0.93 0.00 0.61 0.00 0.00 0.00 175.10 174.87 1fvr n GLY 973 N 5.24 0.92 3.68 4.51 0.00 -0.30 -2.28 105.19 116.97 1fvr n GLY 973 Ca -0.10 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 1fvr n GLY 973 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fvr n GLU 974 N 0.00 2.03 -1.85 1.61 1.02 -1.26 -1.13 120.64 121.05 1fvr n GLU 974 Ca 0.00 0.71 -0.20 0.00 -0.02 0.00 0.00 57.16 57.66 1fvr n GLU 974 Cb 0.00 -2.30 -0.06 0.00 -0.02 0.00 0.00 31.44 29.06 1fvr n GLU 974 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1fvr n ASN 975 N 1.23 -5.39 -2.39 1.62 4.13 -1.26 -2.40 115.26 110.80 1fvr n ASN 975 Ca 0.07 0.33 -0.20 0.00 1.68 0.00 0.00 54.58 56.47 1fvr n ASN 975 Cb 0.34 -4.68 0.00 0.00 -1.54 0.00 0.00 39.78 33.91 1fvr n ASN 975 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1fvr n TYR 976 N -2.85 -1.21 -2.96 3.10 4.02 -0.28 -4.98 117.16 112.00 1fvr n TYR 976 Ca -0.21 0.16 -0.41 0.00 -0.01 0.00 0.00 57.90 57.42 1fvr n TYR 976 Cb 0.66 -3.91 -0.05 0.00 -0.02 0.00 0.00 39.34 36.03 1fvr n TYR 976 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1fvr s VAL 977 N -3.02 4.89 0.07 -0.72 1.01 -1.01 -4.75 120.40 116.88 1fvr s VAL 977 Ca 0.09 1.45 -0.31 0.00 0.00 0.00 0.00 61.98 63.22 1fvr s VAL 977 Cb -0.04 -4.07 -0.07 0.00 0.00 0.00 0.00 36.38 32.20 1fvr s VAL 977 CO 0.11 -0.02 1.43 0.00 0.00 0.00 0.00 175.10 176.62 1fvr s ALA 978 N 2.59 3.60 -0.08 5.51 0.00 -1.26 -1.15 121.76 130.96 1fvr s ALA 978 Ca 0.33 1.06 0.04 0.00 0.00 0.00 0.00 51.96 53.38 1fvr s ALA 978 Cb -0.16 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1fvr s ALA 978 CO 0.09 -0.77 -0.20 0.15 0.00 0.00 0.00 175.76 175.03 1fvr s LYS 979 N 1.69 2.57 0.02 0.00 1.02 0.18 -4.53 119.74 120.68 1fvr s LYS 979 Ca 0.65 -0.73 -0.30 0.00 0.02 0.00 0.00 55.97 55.61 1fvr s LYS 979 Cb -0.36 -1.99 -0.04 0.00 -0.52 0.00 0.00 37.83 34.92 1fvr s LYS 979 CO 0.29 0.15 1.14 0.42 -0.92 0.00 0.00 175.35 176.43 1fvr s ILE 980 N 0.39 4.30 0.06 2.17 1.01 -0.44 0.00 121.20 128.69 1fvr s ILE 980 Ca -0.16 1.64 -0.31 0.00 0.00 0.00 0.00 60.65 61.83 1fvr s ILE 980 Cb -0.17 -4.05 -0.07 0.00 0.01 0.00 0.00 42.46 38.18 1fvr s ILE 980 CO 0.07 0.10 1.38 0.00 0.00 0.00 0.00 174.94 176.48 1fvr s ALA 981 N 1.32 3.56 -0.23 9.38 0.00 -0.32 -1.77 121.76 133.70 1fvr s ALA 981 Ca 0.56 0.98 0.14 0.00 0.00 0.00 0.00 51.96 53.64 1fvr s ALA 981 Cb -0.26 -3.56 0.46 0.00 0.00 0.00 0.00 23.12 19.76 1fvr s ALA 981 CO 0.27 -0.74 1.18 -0.40 0.00 0.00 0.00 175.76 176.07 1fvr n ASP 982 N 4.62 3.00 -4.83 0.00 3.85 -1.26 -4.80 116.55 117.13 1fvr n ASP 982 Ca 0.12 -3.18 -0.38 0.00 -0.71 0.00 0.00 54.79 50.65 1fvr n ASP 982 Cb 0.43 -0.41 -0.06 0.00 -1.35 0.00 0.00 41.12 39.73 1fvr n ASP 982 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 1fvr s PHE 983 N -3.16 3.66 -1.19 2.11 5.36 -1.26 -4.34 117.98 119.16 1fvr s PHE 983 Ca 0.41 0.84 0.00 0.00 -0.96 0.00 0.00 56.93 57.22 1fvr s PHE 983 Cb 0.38 -2.23 0.00 0.00 -0.34 0.00 0.00 43.02 40.82 1fvr s PHE 983 CO -0.03 0.59 0.00 0.41 -1.46 0.00 0.00 175.22 174.74 1fvr n GLY 984 N 2.11 -0.05 3.88 13.12 0.00 -1.26 -4.79 105.19 118.21 1fvr n GLY 984 Ca -0.15 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 1fvr n GLY 984 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fvr s LEU 985 N -3.84 2.67 0.31 0.99 1.43 -1.26 -5.08 118.68 113.90 1fvr s LEU 985 Ca 0.00 0.97 0.07 0.00 -1.03 0.00 0.00 54.13 54.14 1fvr s LEU 985 Cb 0.00 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.59 1fvr s LEU 985 CO 0.00 -1.67 0.31 -0.44 0.23 0.00 0.00 176.35 174.78 1fvr s SER 986 N -4.43 5.55 -0.10 2.29 0.01 -0.68 -4.97 113.70 111.38 1fvr s SER 986 Ca 0.60 -0.35 -0.04 0.00 1.31 0.00 0.00 55.95 57.47 1fvr s SER 986 Cb -0.11 -1.17 0.05 0.00 0.21 0.00 0.00 66.02 64.99 1fvr s SER 986 CO 0.51 -0.29 0.22 -0.60 0.41 0.00 0.00 173.24 173.49 1fvr s ARG 987 N -4.00 0.15 0.00 12.44 3.52 -1.26 -0.44 118.95 129.36 1fvr s ARG 987 Ca 0.40 0.55 0.00 0.00 -0.13 0.00 0.00 55.73 56.54 1fvr s ARG 987 Cb -0.07 -0.14 0.00 0.00 -1.56 0.00 0.00 34.95 33.18 1fvr s ARG 987 CO 0.27 -0.21 0.00 0.41 -0.81 0.00 0.00 175.30 174.97 1fvr n GLY 988 N 4.60 0.18 0.14 8.12 0.00 -0.13 -4.95 105.19 113.15 1fvr n GLY 988 Ca -0.19 -1.60 -0.24 0.00 0.00 0.00 0.00 46.02 44.00 1fvr n GLY 988 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1fvr h GLN 989 N 2.47 0.48 -2.15 1.61 4.15 -1.95 -3.45 115.11 116.28 1fvr h GLN 989 Ca 0.00 -0.83 -0.06 0.00 0.77 0.00 0.00 58.65 58.53 1fvr h GLN 989 Cb 0.00 0.31 -0.19 0.00 0.21 0.00 0.00 27.48 27.81 1fvr h GLN 989 CO 0.00 1.39 0.14 -2.00 -1.93 0.00 0.00 178.83 176.44 1fvr s GLU 990 N -2.60 1.03 -0.01 1.69 2.12 -1.26 -4.68 118.70 114.98 1fvr s GLU 990 Ca -0.10 0.18 0.01 0.00 0.36 0.00 0.00 54.97 55.42 1fvr s GLU 990 Cb 0.05 0.48 0.00 0.00 0.26 0.00 0.00 34.13 34.92 1fvr s GLU 990 CO 0.92 -0.33 -0.05 0.54 -0.54 0.00 0.00 175.26 175.81 1fvr s VAL 991 N -1.32 0.42 -0.18 3.70 0.11 -0.55 -4.97 120.40 117.62 1fvr s VAL 991 Ca -0.11 -0.18 -0.06 0.00 -2.93 0.00 0.00 61.98 58.71 1fvr s VAL 991 Cb -0.01 -0.39 -0.04 0.00 -1.53 0.00 0.00 36.38 34.42 1fvr s VAL 991 CO 0.08 0.14 0.03 -0.47 -3.33 0.00 0.00 175.10 171.55 1fvr s TYR 992 N 0.19 3.16 -0.24 1.54 5.04 -1.26 -0.12 117.35 125.67 1fvr s TYR 992 Ca -0.02 -0.10 -0.01 0.00 -2.44 0.00 0.00 57.07 54.50 1fvr s TYR 992 Cb -0.06 -2.05 0.07 0.00 0.35 0.00 0.00 41.96 40.27 1fvr s TYR 992 CO -0.00 0.05 0.03 0.08 -1.34 0.00 0.00 175.55 174.36 1fvr s VAL 993 N 0.47 0.89 0.00 3.14 1.01 -0.34 -5.02 120.40 120.55 1fvr s VAL 993 Ca 0.01 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1fvr s VAL 993 Cb -0.13 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.84 1fvr s VAL 993 CO 0.01 -0.31 0.87 1.17 0.00 0.00 0.00 175.10 176.85 1fvr n LYS 994 N 4.89 0.00 0.00 2.72 4.81 -1.26 -4.80 118.16 124.52 1fvr n LYS 994 Ca -0.08 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 1fvr n LYS 994 Cb 0.45 -1.37 0.00 0.00 0.02 0.00 0.00 35.03 34.13 1fvr n LYS 994 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1fvr n LYS 995 N -2.47 0.00 0.00 1.64 -0.00 -1.26 -4.93 118.16 111.14 1fvr n LYS 995 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1fvr n LYS 995 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1fvr n LYS 995 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1fvr n LEU 1000N 0.00 0.00 -2.78 -5.58 7.94 -1.26 -5.31 117.00 110.01 1fvr n LEU 1000Ca 0.00 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.68 1fvr n LEU 1000Cb 0.00 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 1fvr n LEU 1000CO 0.00 0.00 2.26 -0.81 -1.11 0.00 0.00 177.39 177.73 1fvr n PRO 1001N 0.00 2.34 -0.35 1.96 -0.04 -1.26 -4.73 135.00 132.91 1fvr n PRO 1001Ca 0.00 -1.39 0.25 0.00 -0.04 0.00 0.00 63.50 62.32 1fvr n PRO 1001Cb 0.00 -2.32 0.51 0.00 -0.04 0.00 0.00 33.50 31.64 1fvr n PRO 1001CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1fvr h VAL 1002N 2.81 0.39 0.00 0.52 2.07 -2.00 -1.30 116.25 118.74 1fvr h VAL 1002Ca 0.46 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.86 1fvr h VAL 1002Cb 0.61 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1fvr h VAL 1002CO 1.07 0.06 0.00 0.54 0.02 0.00 0.00 177.57 179.27 1fvr n ARG 1003N -4.80 0.03 -0.00 1.57 1.74 -1.26 -2.80 116.66 111.14 1fvr n ARG 1003Ca 0.30 0.20 0.02 0.00 -0.77 0.00 0.00 57.85 57.61 1fvr n ARG 1003Cb 0.99 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.90 1fvr n ARG 1003CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1fvr n TRP 1004N -1.47 0.00 -2.44 -1.55 8.01 -0.51 -4.97 117.44 114.52 1fvr n TRP 1004Ca 0.05 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.82 1fvr n TRP 1004Cb 0.18 -0.01 -0.03 0.00 -2.01 0.00 0.00 31.31 29.44 1fvr n TRP 1004CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 1fvr s MET 1005N -1.55 4.50 0.69 -0.99 -1.94 -1.11 -3.74 119.30 115.16 1fvr s MET 1005Ca 0.02 1.79 -0.14 0.00 -1.71 0.00 0.00 55.69 55.64 1fvr s MET 1005Cb 0.04 -3.29 0.01 0.00 2.01 0.00 0.00 34.83 33.60 1fvr s MET 1005CO 0.21 -0.09 1.11 0.00 -0.01 0.00 0.00 175.02 176.23 1fvr s ALA 1006N 0.27 2.41 0.27 3.03 0.00 -1.26 -4.76 121.76 121.71 1fvr s ALA 1006Ca 0.54 0.50 -0.00 0.00 0.00 0.00 0.00 51.96 52.99 1fvr s ALA 1006Cb -0.30 -3.31 0.57 0.00 0.00 0.00 0.00 23.12 20.07 1fvr s ALA 1006CO 0.33 -1.41 1.73 0.82 0.00 0.00 0.00 175.76 177.24 1fvr h ILE 1007N -0.24 0.63 -0.05 0.00 2.04 -1.95 0.77 117.51 118.70 1fvr h ILE 1007Ca -0.46 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.18 1fvr h ILE 1007Cb 1.24 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1fvr h ILE 1007CO 0.53 0.09 -0.19 1.05 0.00 0.00 0.00 178.15 179.63 1fvr h GLU 1008N 0.51 0.09 -0.14 2.37 9.09 -1.91 -0.69 114.58 123.89 1fvr h GLU 1008Ca 0.48 -0.02 -0.19 0.00 0.05 0.00 0.00 59.36 59.68 1fvr h GLU 1008Cb 0.77 -0.01 0.01 0.00 -1.65 0.00 0.00 28.75 27.87 1fvr h GLU 1008CO -0.42 0.28 -0.65 0.77 0.05 0.00 0.00 179.01 179.04 1fvr h SER 1009N 0.08 0.81 -0.58 3.06 0.02 -1.02 0.61 113.55 116.53 1fvr h SER 1009Ca 0.02 -0.63 -0.02 0.00 -0.84 0.00 0.00 61.79 60.31 1fvr h SER 1009Cb 0.39 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 1fvr h SER 1009CO 0.03 1.30 0.27 -0.07 -1.14 0.00 0.00 176.83 177.22 1fvr h LEU 1010N 0.36 0.76 -0.01 5.07 3.38 -0.85 0.46 115.31 124.48 1fvr h LEU 1010Ca -0.04 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1fvr h LEU 1010Cb 1.28 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1fvr h LEU 1010CO 0.13 0.68 -0.05 0.78 0.09 0.00 0.00 178.44 180.07 1fvr h ASN 1011N 0.78 0.06 -0.01 -0.43 2.35 -1.11 -3.40 115.58 113.82 1fvr h ASN 1011Ca 0.20 -0.66 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 1fvr h ASN 1011Cb 0.13 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1fvr h ASN 1011CO -0.02 0.71 0.00 -1.22 -1.65 0.00 0.00 177.43 175.25 1fvr n TYR 1012N -4.72 0.01 -3.06 1.19 4.02 0.20 -5.01 117.16 109.79 1fvr n TYR 1012Ca -0.09 -0.36 -0.23 0.00 -0.01 0.00 0.00 57.90 57.21 1fvr n TYR 1012Cb 0.36 -0.04 0.03 0.00 -0.02 0.00 0.00 39.34 39.67 1fvr n TYR 1012CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1fvr n SER 1013N -0.34 -5.82 -4.65 7.72 7.64 0.15 -4.87 113.62 113.45 1fvr n SER 1013Ca 0.00 -0.30 -0.31 0.00 1.01 0.00 0.00 58.87 59.28 1fvr n SER 1013Cb 0.19 -4.71 -0.09 0.00 -1.01 0.00 0.00 64.21 58.58 1fvr n SER 1013CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1fvr s VAL 1014N -3.15 3.84 -0.02 0.44 -7.23 -1.26 -1.20 120.40 111.83 1fvr s VAL 1014Ca 0.31 -0.95 0.03 0.00 -1.81 0.00 0.00 61.98 59.56 1fvr s VAL 1014Cb -0.14 -2.78 -0.00 0.00 0.56 0.00 0.00 36.38 34.01 1fvr s VAL 1014CO 0.39 0.20 -0.10 -0.31 -0.31 0.00 0.00 175.10 174.97 1fvr s TYR 1015N -1.20 0.97 0.30 2.82 1.51 0.84 -3.91 117.35 118.67 1fvr s TYR 1015Ca 0.22 -0.21 0.02 0.00 -1.01 0.00 0.00 57.07 56.09 1fvr s TYR 1015Cb -0.11 -0.65 -0.02 0.00 -0.11 0.00 0.00 41.96 41.06 1fvr s TYR 1015CO 0.14 -0.06 0.31 0.95 -1.11 0.00 0.00 175.55 175.79 1fvr s THR 1016N -0.04 0.00 0.27 -0.71 -4.23 -1.26 -1.48 115.64 108.19 1fvr s THR 1016Ca 0.01 -1.86 0.25 0.00 -1.18 0.00 0.00 61.69 58.91 1fvr s THR 1016Cb -0.06 -2.52 0.25 0.00 1.34 0.00 0.00 72.50 71.51 1fvr s THR 1016CO 0.00 0.00 1.93 0.71 -0.54 0.00 0.00 174.62 176.72 1fvr h THR 1017N 2.24 0.59 -0.52 3.99 1.35 -1.87 -1.47 112.91 117.22 1fvr h THR 1017Ca -0.28 -0.88 -0.09 0.00 -0.55 0.00 0.00 66.41 64.61 1fvr h THR 1017Cb 1.24 1.58 -0.02 0.00 -1.73 0.00 0.00 68.15 69.22 1fvr h THR 1017CO 0.40 0.19 -0.04 0.78 -0.25 0.00 0.00 175.52 176.60 1fvr h ASN 1018N 0.00 0.88 1.11 5.36 2.35 -1.95 -1.46 115.58 121.87 1fvr h ASN 1018Ca -0.00 -0.25 -0.11 0.00 -0.55 0.00 0.00 56.30 55.39 1fvr h ASN 1018Cb 0.57 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 1fvr h ASN 1018CO 0.02 0.97 -0.52 0.77 -1.65 0.00 0.00 177.43 177.03 1fvr h SER 1019N 0.83 0.00 -0.15 5.81 4.64 -1.75 -2.76 113.55 120.17 1fvr h SER 1019Ca 0.15 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.38 1fvr h SER 1019Cb 0.55 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 1fvr h SER 1019CO 0.03 0.52 -0.19 0.44 -0.87 0.00 0.00 176.83 176.75 1fvr h ASP 1020N 0.00 0.56 -0.18 4.97 3.32 -0.78 -1.93 116.42 122.38 1fvr h ASP 1020Ca -0.01 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 56.81 1fvr h ASP 1020Cb 1.21 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 1fvr h ASP 1020CO 0.07 0.77 -0.04 0.58 -1.72 0.00 0.00 179.24 178.89 1fvr h VAL 1021N 0.51 1.20 -0.25 -1.35 2.07 -1.00 0.14 116.25 117.57 1fvr h VAL 1021Ca 0.08 -0.84 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 1fvr h VAL 1021Cb 0.62 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1fvr h VAL 1021CO 0.04 0.28 -0.01 -0.25 0.02 0.00 0.00 177.57 177.66 1fvr h TRP 1022N 0.47 0.50 -0.80 1.57 2.91 -1.22 -2.10 115.95 117.27 1fvr h TRP 1022Ca 0.10 -0.09 0.01 0.00 1.13 0.00 0.00 58.89 60.03 1fvr h TRP 1022Cb 0.38 -0.13 -0.04 0.00 -0.51 0.00 0.00 29.16 28.86 1fvr h TRP 1022CO 0.01 0.63 0.52 0.77 -1.03 0.00 0.00 178.44 179.34 1fvr h SER 1023N 0.23 0.93 -0.78 2.65 0.02 -0.80 -1.42 113.55 114.37 1fvr h SER 1023Ca 0.07 -0.03 0.09 0.00 -0.84 0.00 0.00 61.79 61.08 1fvr h SER 1023Cb 0.43 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.69 1fvr h SER 1023CO 0.01 0.68 0.51 0.22 -1.14 0.00 0.00 176.83 177.12 1fvr h TYR 1024N 1.09 0.78 -0.72 3.45 3.20 -0.47 -0.46 116.97 123.84 1fvr h TYR 1024Ca 0.29 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.19 1fvr h TYR 1024Cb -0.11 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 37.87 1fvr h TYR 1024CO -0.01 0.37 0.46 0.78 -1.64 0.00 0.00 178.16 178.12 1fvr h GLY 1025N 0.74 1.02 1.28 1.82 0.00 -0.57 0.10 103.07 107.46 1fvr h GLY 1025Ca 0.36 -0.39 -0.12 0.00 0.00 0.00 0.00 47.33 47.17 1fvr h GLY 1025CO -0.13 0.38 -0.22 -2.08 0.00 0.00 0.00 176.54 174.49 1fvr h VAL 1026N 0.98 1.27 -0.78 4.60 2.07 -1.00 -1.77 116.25 121.61 1fvr h VAL 1026Ca 0.26 -1.35 -0.04 0.00 0.82 0.00 0.00 66.70 66.40 1fvr h VAL 1026Cb -0.09 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1fvr h VAL 1026CO -0.05 0.45 0.34 0.25 0.02 0.00 0.00 177.57 178.58 1fvr h LEU 1027N 0.72 1.05 -1.14 2.57 5.85 -0.57 0.71 115.31 124.50 1fvr h LEU 1027Ca 0.10 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 1fvr h LEU 1027Cb 0.75 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1fvr h LEU 1027CO 0.06 0.92 0.07 0.25 -0.34 0.00 0.00 178.44 179.40 1fvr h LEU 1028N 1.12 0.63 -0.88 2.25 5.85 -0.56 -0.96 115.31 122.76 1fvr h LEU 1028Ca 0.26 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 1fvr h LEU 1028Cb 0.17 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1fvr h LEU 1028CO -0.03 0.65 -0.07 -0.25 -0.34 0.00 0.00 178.44 178.40 1fvr h TRP 1029N 0.65 0.81 -0.39 1.25 7.01 -0.38 -1.33 115.95 123.57 1fvr h TRP 1029Ca 0.14 -0.13 -0.04 0.00 2.11 0.00 0.00 58.89 60.97 1fvr h TRP 1029Cb 0.30 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.13 1fvr h TRP 1029CO 0.01 0.79 0.07 0.93 -2.79 0.00 0.00 178.44 177.45 1fvr h GLU 1030N 0.69 0.64 -0.11 2.65 5.08 0.34 -1.18 114.58 122.69 1fvr h GLU 1030Ca 0.12 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1fvr h GLU 1030Cb 0.53 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1fvr h GLU 1030CO 0.03 0.69 0.07 0.82 -1.00 0.00 0.00 179.01 179.62 1fvr h ILE 1031N 0.49 1.06 -0.86 3.13 2.04 -0.99 0.26 117.51 122.64 1fvr h ILE 1031Ca 0.12 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1fvr h ILE 1031Cb 0.36 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 1fvr h ILE 1031CO 0.01 0.05 0.44 0.58 0.00 0.00 0.00 178.15 179.23 1fvr h VAL 1032N 0.11 1.26 -0.19 1.67 2.07 -1.17 -2.05 116.25 117.95 1fvr h VAL 1032Ca 0.04 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1fvr h VAL 1032Cb 0.03 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1fvr h VAL 1032CO -0.01 0.30 0.00 -1.54 0.02 0.00 0.00 177.57 176.34 1fvr n SER 1033N -4.32 1.22 -3.38 0.57 3.41 -0.45 -4.92 113.62 105.75 1fvr n SER 1033Ca 0.09 -1.84 -0.21 0.00 -0.26 0.00 0.00 58.87 56.65 1fvr n SER 1033Cb 0.12 -0.12 0.08 0.00 -0.26 0.00 0.00 64.21 64.02 1fvr n SER 1033CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1fvr n LEU 1034N 0.10 -3.49 0.00 1.04 4.77 -0.77 -3.37 117.00 115.29 1fvr n LEU 1034Ca 0.11 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 1fvr n LEU 1034Cb 0.22 -2.91 0.00 0.00 -2.33 0.00 0.00 43.42 38.40 1fvr n LEU 1034CO 0.08 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1fvr n GLY 1035N -1.71 0.68 3.78 -0.72 0.00 0.86 -3.88 105.19 104.21 1fvr n GLY 1035Ca -0.07 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 1fvr n GLY 1035CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fvr s GLY 1036N -2.46 2.21 -0.15 -0.02 0.00 -1.22 -4.90 107.32 100.79 1fvr s GLY 1036Ca 0.00 0.53 -0.29 0.00 0.00 0.00 0.00 44.72 44.96 1fvr s GLY 1036CO 0.00 0.87 1.09 -1.59 0.00 0.00 0.00 173.10 173.48 1fvr s THR 1037N -2.30 4.57 0.24 0.90 2.01 -0.60 -4.78 115.64 115.69 1fvr s THR 1037Ca 0.67 1.88 -0.31 0.00 0.31 0.00 0.00 61.69 64.23 1fvr s THR 1037Cb -0.19 -4.21 -0.12 0.00 0.01 0.00 0.00 72.50 67.99 1fvr s THR 1037CO 0.38 -0.08 1.65 -2.65 -0.69 0.00 0.00 174.62 173.22 1fvr n PRO 1038N 5.73 2.67 -3.04 4.92 -0.02 -1.26 -1.94 135.00 142.05 1fvr n PRO 1038Ca 0.11 0.96 -0.23 0.00 -2.02 0.00 0.00 63.50 62.32 1fvr n PRO 1038Cb 0.47 -2.76 0.03 0.00 -0.02 0.00 0.00 33.50 31.22 1fvr n PRO 1038CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1fvr n TYR 1039N 3.05 -1.95 -1.69 6.00 4.01 -1.26 -4.85 117.16 120.47 1fvr n TYR 1039Ca 0.13 0.51 -0.52 0.00 -0.16 0.00 0.00 57.90 57.85 1fvr n TYR 1039Cb 0.35 -4.36 -0.06 0.00 -0.31 0.00 0.00 39.34 34.96 1fvr n TYR 1039CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1fvr n GLY 1041N 4.39 3.22 3.78 0.00 0.00 -1.26 -5.06 105.19 110.26 1fvr n GLY 1041Ca 0.25 -0.99 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 1fvr n GLY 1041CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1fvr s MET 1042N 0.00 3.99 0.44 1.61 1.00 -0.35 -5.05 119.30 120.94 1fvr s MET 1042Ca 0.00 1.51 -0.01 0.00 0.00 0.00 0.00 55.69 57.20 1fvr s MET 1042Cb 0.00 -2.39 -0.01 0.00 0.00 0.00 0.00 34.83 32.43 1fvr s MET 1042CO 0.00 -0.30 0.68 0.95 0.00 0.00 0.00 175.02 176.35 1fvr s THR 1043N -1.73 4.26 0.30 2.05 -4.23 -1.26 -4.97 115.64 110.05 1fvr s THR 1043Ca 0.62 -0.39 0.00 0.00 -1.18 0.00 0.00 61.69 60.74 1fvr s THR 1043Cb -0.21 -3.58 0.28 0.00 1.34 0.00 0.00 72.50 70.32 1fvr s THR 1043CO 0.26 -0.43 1.91 0.00 -0.54 0.00 0.00 174.62 175.82 1fvr h ALA 1045N 1.51 1.19 -0.56 0.00 0.00 -2.01 -2.14 119.26 117.24 1fvr h ALA 1045Ca 0.39 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 1fvr h ALA 1045Cb 0.18 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1fvr h ALA 1045CO -0.14 0.66 0.14 0.93 0.00 0.00 0.00 179.25 180.84 1fvr h GLU 1046N 1.26 0.87 -0.43 0.00 5.08 -1.64 -2.97 114.58 116.76 1fvr h GLU 1046Ca 0.32 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1fvr h GLU 1046Cb 0.01 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1fvr h GLU 1046CO -0.05 0.78 0.12 -0.07 -1.00 0.00 0.00 179.01 178.78 1fvr h LEU 1047N 0.84 0.63 -1.87 1.33 3.38 -0.88 0.98 115.31 119.72 1fvr h LEU 1047Ca 0.18 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.99 1fvr h LEU 1047Cb 0.30 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1fvr h LEU 1047CO -0.00 0.69 0.21 1.88 0.09 0.00 0.00 178.44 181.31 1fvr h TYR 1048N 0.55 0.16 0.00 1.13 -1.99 -1.31 -1.56 116.97 113.95 1fvr h TYR 1048Ca 0.14 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.80 1fvr h TYR 1048Cb 0.29 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 38.95 1fvr h TYR 1048CO 0.02 0.09 -0.43 1.49 -0.00 0.00 0.00 178.16 179.32 1fvr h GLU 1049N 0.16 0.00 -0.09 4.88 4.81 -1.33 -3.40 114.58 119.61 1fvr h GLU 1049Ca 0.14 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.14 1fvr h GLU 1049Cb 0.35 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.74 1fvr h GLU 1049CO -0.02 0.80 -0.87 0.87 -0.73 0.00 0.00 179.01 179.06 1fvr h LYS 1050N -1.00 0.69 -0.57 1.92 1.57 -0.73 -3.34 116.57 115.12 1fvr h LYS 1050Ca -0.11 -0.63 0.07 0.00 -1.87 0.00 0.00 60.65 58.11 1fvr h LYS 1050Cb 0.93 0.15 -0.06 0.00 0.08 0.00 0.00 32.23 33.33 1fvr h LYS 1050CO -0.07 1.23 0.24 -0.07 -0.57 0.00 0.00 179.45 180.22 1fvr h LEU 1051N 0.45 0.29 -1.48 2.94 3.38 -1.50 -0.36 115.31 119.02 1fvr h LEU 1051Ca -0.08 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1fvr h LEU 1051Cb 1.50 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.26 1fvr h LEU 1051CO 0.17 0.19 0.00 -0.65 0.09 0.00 0.00 178.44 178.24 1fvr h PRO 1052N 0.45 0.00 -0.00 1.13 0.11 -1.77 -1.81 132.00 130.11 1fvr h PRO 1052Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 1fvr h PRO 1052Cb 0.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.38 1fvr h PRO 1052CO -0.24 0.00 -0.23 1.04 -0.21 0.00 0.00 178.00 178.36 1fvr n GLN 1053N -2.62 0.05 0.00 1.05 6.02 -0.18 -4.91 117.38 116.79 1fvr n GLN 1053Ca -0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1fvr n GLN 1053Cb 0.18 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.94 1fvr n GLN 1053CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1fvr n GLY 1054N 1.48 1.24 3.76 1.08 0.00 -0.68 -5.10 105.19 106.98 1fvr n GLY 1054Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1fvr n GLY 1054CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1fvr s TYR 1055N -2.00 2.87 0.04 1.61 6.14 -1.01 -5.01 117.35 119.99 1fvr s TYR 1055Ca 0.00 1.15 -0.02 0.00 0.64 0.00 0.00 57.07 58.85 1fvr s TYR 1055Cb 0.00 -3.87 -0.03 0.00 0.42 0.00 0.00 41.96 38.48 1fvr s TYR 1055CO 0.00 -2.64 -0.01 1.03 0.64 0.00 0.00 175.55 174.58 1fvr s ARG 1056N -1.33 0.54 0.42 4.97 1.81 -1.26 -4.45 118.95 119.66 1fvr s ARG 1056Ca 0.55 -0.99 -0.24 0.00 -1.72 0.00 0.00 55.73 53.32 1fvr s ARG 1056Cb -0.43 0.19 -0.10 0.00 -0.45 0.00 0.00 34.95 34.16 1fvr s ARG 1056CO 0.53 -0.10 1.06 1.28 -0.68 0.00 0.00 175.30 177.38 1fvr n LEU 1057N 0.57 2.92 -4.88 2.53 4.77 -1.26 -4.96 117.00 116.69 1fvr n LEU 1057Ca -0.17 1.04 -0.29 0.00 -0.03 0.00 0.00 56.01 56.56 1fvr n LEU 1057Cb 0.59 -1.38 -0.02 0.00 -2.33 0.00 0.00 43.42 40.28 1fvr n LEU 1057CO 0.25 -1.33 0.43 -1.61 -1.33 0.00 0.00 177.39 173.80 1fvr s GLU 1058N -2.07 3.70 0.04 3.23 2.02 -1.26 -5.01 118.70 119.34 1fvr s GLU 1058Ca 0.63 0.38 -0.30 0.00 0.02 0.00 0.00 54.97 55.69 1fvr s GLU 1058Cb -0.54 -2.39 -0.07 0.00 0.10 0.00 0.00 34.13 31.22 1fvr s GLU 1058CO 0.57 -0.08 1.63 0.21 0.02 0.00 0.00 175.26 177.61 1fvr s LYS 1059N -4.10 4.20 0.67 1.61 2.20 -1.26 -4.97 119.74 118.10 1fvr s LYS 1059Ca 0.50 2.27 -0.17 0.00 -0.36 0.00 0.00 55.97 58.21 1fvr s LYS 1059Cb -0.10 -3.69 -0.01 0.00 -1.51 0.00 0.00 37.83 32.51 1fvr s LYS 1059CO 0.35 -0.74 1.06 -2.30 -0.36 0.00 0.00 175.35 173.36 1fvr n PRO 1060N 5.94 0.76 0.21 4.03 -0.02 -1.26 -4.87 135.00 139.79 1fvr n PRO 1060Ca 0.16 0.31 0.15 0.00 -2.02 0.00 0.00 63.50 62.10 1fvr n PRO 1060Cb 0.41 -2.30 0.64 0.00 -0.02 0.00 0.00 33.50 32.24 1fvr n PRO 1060CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1fvr h LEU 1061N 0.13 0.00 -2.87 2.45 3.38 -1.93 -2.72 115.31 113.75 1fvr h LEU 1061Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1fvr h LEU 1061Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1fvr h LEU 1061CO 0.50 0.00 0.00 -0.46 0.09 0.00 0.00 178.44 178.57 1fvr n ASN 1062N -2.63 3.49 -4.77 -0.43 6.94 -1.26 -4.98 115.26 111.62 1fvr n ASN 1062Ca 0.01 -2.07 -0.36 0.00 -0.02 0.00 0.00 54.58 52.13 1fvr n ASN 1062Cb 0.22 -0.37 -0.07 0.00 -2.36 0.00 0.00 39.78 37.20 1fvr n ASN 1062CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1fvr s ASP 1064N -0.02 6.60 0.36 0.00 2.15 -0.49 -4.89 116.67 120.38 1fvr s ASP 1064Ca 0.15 2.09 0.14 0.00 0.43 0.00 0.00 52.55 55.35 1fvr s ASP 1064Cb -0.13 -2.59 0.98 0.00 -0.30 0.00 0.00 42.92 40.89 1fvr s ASP 1064CO 0.03 -0.60 1.75 0.44 -0.17 0.00 0.00 175.17 176.62 1fvr h ASP 1065N 2.33 0.57 -0.33 -0.34 3.32 -1.98 -1.54 116.42 118.45 1fvr h ASP 1065Ca -0.49 0.11 -0.09 0.00 0.02 0.00 0.00 57.03 56.58 1fvr h ASP 1065Cb 1.22 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 1fvr h ASP 1065CO 0.62 0.10 -0.12 -0.08 -1.72 0.00 0.00 179.24 178.04 1fvr h GLU 1066N 0.50 0.77 -0.52 3.56 4.81 -1.96 -1.28 114.58 120.46 1fvr h GLU 1066Ca 0.62 -0.26 -0.11 0.00 -0.13 0.00 0.00 59.36 59.48 1fvr h GLU 1066Cb 1.34 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 1fvr h GLU 1066CO -0.39 0.85 -0.12 0.28 -0.73 0.00 0.00 179.01 178.90 1fvr h VAL 1067N 0.69 1.27 -0.51 0.32 2.07 -1.64 -2.34 116.25 116.11 1fvr h VAL 1067Ca 0.12 -1.28 -0.09 0.00 0.82 0.00 0.00 66.70 66.27 1fvr h VAL 1067Cb 0.60 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1fvr h VAL 1067CO 0.04 0.45 -0.04 0.22 0.02 0.00 0.00 177.57 178.25 1fvr h TYR 1068N 0.89 1.02 -0.28 1.57 3.20 -1.27 -2.29 116.97 119.80 1fvr h TYR 1068Ca 0.14 -0.19 -0.03 0.00 3.14 0.00 0.00 58.73 61.79 1fvr h TYR 1068Cb 0.68 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1fvr h TYR 1068CO 0.04 0.96 0.06 -0.44 -1.64 0.00 0.00 178.16 177.14 1fvr h ASP 1069N 0.79 0.37 -0.42 -2.11 3.32 -1.11 0.12 116.42 117.37 1fvr h ASP 1069Ca 0.14 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1fvr h ASP 1069Cb 0.58 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 1fvr h ASP 1069CO 0.03 0.39 0.20 0.25 -1.72 0.00 0.00 179.24 178.39 1fvr h LEU 1070N 0.40 0.56 -0.39 1.55 5.85 -1.07 -0.98 115.31 121.24 1fvr h LEU 1070Ca 0.10 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.71 1fvr h LEU 1070Cb 0.17 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1fvr h LEU 1070CO -0.00 0.54 0.19 0.24 -0.34 0.00 0.00 178.44 179.06 1fvr h MET 1071N 0.54 0.37 -0.59 1.25 2.86 -0.57 -2.56 114.93 116.23 1fvr h MET 1071Ca 0.15 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 1fvr h MET 1071Cb 0.13 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 1fvr h MET 1071CO -0.02 0.24 0.28 0.00 1.06 0.00 0.00 176.91 178.47 1fvr h ARG 1072N 0.38 0.83 -0.75 1.72 2.47 -0.44 -1.95 114.38 116.64 1fvr h ARG 1072Ca 0.17 -0.11 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 1fvr h ARG 1072Cb 0.09 -0.16 -0.04 0.00 -1.65 0.00 0.00 29.97 28.22 1fvr h ARG 1072CO -0.13 0.64 0.47 1.96 0.56 0.00 0.00 179.97 183.48 1fvr h GLN 1073N 0.82 1.00 0.00 0.04 4.20 -0.80 -1.98 115.11 118.39 1fvr h GLN 1073Ca 0.20 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 1fvr h GLN 1073Cb 0.09 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 1fvr h GLN 1073CO -0.03 0.68 -0.01 0.00 -0.67 0.00 0.00 178.83 178.81 1fvr n TRP 1075N -3.13 1.31 -1.93 0.00 8.01 -0.75 -3.59 117.44 117.36 1fvr n TRP 1075Ca -0.02 -0.82 -0.40 0.00 -1.31 0.00 0.00 57.50 54.96 1fvr n TRP 1075Cb 0.17 -0.37 0.00 0.00 -2.01 0.00 0.00 31.31 29.11 1fvr n TRP 1075CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 1fvr s ARG 1076N -2.76 3.87 0.21 -0.99 0.52 -1.13 -4.91 118.95 113.76 1fvr s ARG 1076Ca 0.46 2.30 -0.10 0.00 -0.52 0.00 0.00 55.73 57.88 1fvr s ARG 1076Cb 0.36 -2.74 0.21 0.00 0.52 0.00 0.00 34.95 33.30 1fvr s ARG 1076CO 0.12 -0.62 1.84 1.49 0.02 0.00 0.00 175.30 178.14 1fvr h GLU 1077N 2.58 0.79 -6.44 3.54 4.81 -1.93 -3.39 114.58 114.54 1fvr h GLU 1077Ca -0.50 -0.05 -0.57 0.00 -0.13 0.00 0.00 59.36 58.11 1fvr h GLU 1077Cb 1.25 -0.18 -0.06 0.00 0.63 0.00 0.00 28.75 30.40 1fvr h GLU 1077CO 0.62 0.52 0.96 0.15 -0.73 0.00 0.00 179.01 180.54 1fvr s LYS 1078N -6.11 3.84 0.23 1.92 1.02 -1.26 -4.91 119.74 114.48 1fvr s LYS 1078Ca -0.13 1.04 -0.06 0.00 0.02 0.00 0.00 55.97 56.84 1fvr s LYS 1078Cb 0.16 -3.89 0.40 0.00 -0.52 0.00 0.00 37.83 33.98 1fvr s LYS 1078CO 0.77 -1.21 1.72 -1.35 -0.92 0.00 0.00 175.35 174.35 1fvr h PRO 1079N 9.34 0.36 0.00 -1.68 0.11 -1.96 -0.92 132.00 137.26 1fvr h PRO 1079Ca -0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1fvr h PRO 1079Cb 1.09 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1fvr h PRO 1079CO 1.06 0.24 0.00 2.48 -0.21 0.00 0.00 178.00 181.57 1fvr n TYR 1080N -5.05 0.00 0.91 0.65 0.18 -1.26 -2.21 117.16 110.38 1fvr n TYR 1080Ca 0.12 0.00 0.11 0.00 1.88 0.00 0.00 57.90 60.01 1fvr n TYR 1080Cb 0.38 -0.33 0.01 0.00 -0.38 0.00 0.00 39.34 39.02 1fvr n TYR 1080CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1fvr n GLU 1081N -1.33 0.06 -2.32 -3.48 1.02 -0.35 -4.94 120.64 109.31 1fvr n GLU 1081Ca 0.05 -0.01 -0.36 0.00 -0.02 0.00 0.00 57.16 56.82 1fvr n GLU 1081Cb 0.10 -1.51 -0.01 0.00 -0.02 0.00 0.00 31.44 30.00 1fvr n GLU 1081CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1fvr s ARG 1082N -3.04 3.70 0.92 3.49 0.52 -0.94 -5.00 118.95 118.60 1fvr s ARG 1082Ca 0.08 1.67 -0.11 0.00 -0.52 0.00 0.00 55.73 56.84 1fvr s ARG 1082Cb 0.16 -2.29 0.14 0.00 0.52 0.00 0.00 34.95 33.48 1fvr s ARG 1082CO 0.81 -0.57 1.09 -1.25 0.02 0.00 0.00 175.30 175.40 1fvr s PRO 1083N -2.87 1.07 0.53 3.54 0.04 -1.26 -5.03 135.00 131.02 1fvr s PRO 1083Ca 0.66 0.93 -0.03 0.00 0.04 0.00 0.00 61.00 62.60 1fvr s PRO 1083Cb -0.25 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.51 1fvr s PRO 1083CO 0.30 -2.40 0.80 -1.54 0.04 0.00 0.00 177.00 174.20 1fvr s SER 1084N -3.24 5.65 0.48 6.66 1.04 -1.26 -4.92 113.70 118.11 1fvr s SER 1084Ca 0.64 0.47 0.19 0.00 0.48 0.00 0.00 55.95 57.74 1fvr s SER 1084Cb -0.19 -1.56 1.19 0.00 0.10 0.00 0.00 66.02 65.57 1fvr s SER 1084CO 0.58 -0.93 2.04 -0.26 0.98 0.00 0.00 173.24 175.64 1fvr h PHE 1085N 0.07 0.00 -0.47 5.02 0.04 -1.93 -1.45 116.94 118.23 1fvr h PHE 1085Ca -0.45 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.18 1fvr h PHE 1085Cb 1.26 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.40 1fvr h PHE 1085CO 0.45 0.15 -0.25 0.00 -0.60 0.00 0.00 178.31 178.06 1fvr h ALA 1086N 1.85 0.66 -0.34 2.45 0.00 -1.93 -1.62 119.26 120.32 1fvr h ALA 1086Ca -0.00 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 1fvr h ALA 1086Cb 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1fvr h ALA 1086CO 0.02 0.67 -0.32 1.96 0.00 0.00 0.00 179.25 181.58 1fvr h GLN 1087N 0.84 0.75 -0.71 0.00 4.20 -1.77 -2.13 115.11 116.29 1fvr h GLN 1087Ca 0.10 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.45 1fvr h GLN 1087Cb 0.83 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.57 1fvr h GLN 1087CO 0.07 0.96 0.40 0.82 -0.67 0.00 0.00 178.83 180.41 1fvr h ILE 1088N 0.63 1.22 -0.43 2.54 2.04 -1.12 -1.20 117.51 121.18 1fvr h ILE 1088Ca 0.07 -0.53 -0.08 0.00 1.00 0.00 0.00 64.86 65.32 1fvr h ILE 1088Cb 0.84 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1fvr h ILE 1088CO 0.07 0.24 -0.06 0.25 0.00 0.00 0.00 178.15 178.65 1fvr h LEU 1089N 0.98 0.72 -0.29 1.44 5.85 -1.07 -0.47 115.31 122.46 1fvr h LEU 1089Ca 0.25 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1fvr h LEU 1089Cb 0.02 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1fvr h LEU 1089CO -0.04 0.82 0.08 0.58 -0.34 0.00 0.00 178.44 179.55 1fvr h VAL 1090N 0.68 1.21 -0.45 1.05 2.07 -0.85 -0.30 116.25 119.66 1fvr h VAL 1090Ca 0.13 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 66.99 1fvr h VAL 1090Cb 0.51 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1fvr h VAL 1090CO 0.03 0.22 0.28 0.28 0.02 0.00 0.00 177.57 178.40 1fvr h SER 1091N 0.30 0.47 -0.60 0.57 0.02 -0.96 -2.04 113.55 111.31 1fvr h SER 1091Ca 0.09 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1fvr h SER 1091Cb 0.26 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 1fvr h SER 1091CO -0.00 0.33 0.27 -0.07 -1.14 0.00 0.00 176.83 176.22 1fvr h LEU 1092N 0.56 0.81 -1.32 5.07 3.38 -0.85 -2.84 115.31 120.13 1fvr h LEU 1092Ca 0.17 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1fvr h LEU 1092Cb -0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1fvr h LEU 1092CO -0.06 0.74 -0.01 0.78 0.09 0.00 0.00 178.44 179.98 1fvr h ASN 1093N 0.83 0.41 -0.37 -0.43 2.35 -0.76 -1.56 115.58 116.05 1fvr h ASN 1093Ca 0.20 -0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 1fvr h ASN 1093Cb 0.16 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1fvr h ASN 1093CO -0.02 0.48 0.08 0.03 -1.65 0.00 0.00 177.43 176.36 1fvr h ARG 1094N 0.43 0.60 -0.63 0.81 2.47 -1.14 -1.96 114.38 114.95 1fvr h ARG 1094Ca 0.09 -0.15 -0.08 0.00 -1.26 0.00 0.00 59.98 58.59 1fvr h ARG 1094Cb 0.30 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.51 1fvr h ARG 1094CO 0.01 0.64 0.09 0.52 0.56 0.00 0.00 179.97 181.79 1fvr h MET 1095N 0.46 1.04 -0.05 0.04 2.86 -1.31 -2.77 114.93 115.20 1fvr h MET 1095Ca 0.12 -0.27 -0.04 0.00 -2.06 0.00 0.00 59.70 57.44 1fvr h MET 1095Cb 0.32 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1fvr h MET 1095CO 0.00 0.96 -0.16 -0.07 1.06 0.00 0.00 176.91 178.70 1fvr h LEU 1096N 0.97 0.07 -1.13 1.22 3.38 -1.04 -2.84 115.31 115.95 1fvr h LEU 1096Ca 0.19 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 1fvr h LEU 1096Cb 0.43 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1fvr h LEU 1096CO 0.01 0.24 -0.40 -0.33 0.09 0.00 0.00 178.44 178.06 1fvr h GLU 1097N 0.07 0.00 -6.97 1.13 4.39 -1.06 -3.45 114.58 108.70 1fvr h GLU 1097Ca 0.01 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.22 1fvr h GLU 1097Cb 0.33 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.00 1fvr h GLU 1097CO 0.02 0.40 0.19 -1.21 -1.16 0.00 0.00 179.01 177.25 1fvr s GLU 1098N -3.88 3.76 0.39 2.33 2.02 -1.08 -4.98 118.70 117.27 1fvr s GLU 1098Ca -0.02 0.55 0.27 0.00 0.02 0.00 0.00 54.97 55.79 1fvr s GLU 1098Cb 0.13 -2.31 0.83 0.00 0.10 0.00 0.00 34.13 32.88 1fvr s GLU 1098CO 0.70 -0.15 1.77 0.07 0.02 0.00 0.00 175.26 177.67 1fvr h ARG 1099N 0.92 0.00 -7.01 1.61 -0.00 -1.87 -3.46 114.38 104.57 1fvr h ARG 1099Ca -0.47 0.00 -0.55 0.00 -0.00 0.00 0.00 59.98 58.96 1fvr h ARG 1099Cb 1.19 0.00 0.13 0.00 -0.00 0.00 0.00 29.97 31.29 1fvr h ARG 1099CO 0.63 0.00 0.66 1.17 -0.00 0.00 0.00 179.97 182.43 1fvr n LYS 1100N -2.77 2.03 -3.16 0.08 4.81 -1.26 -4.99 118.16 112.90 1fvr n LYS 1100Ca 0.03 0.73 -0.40 0.00 -0.87 0.00 0.00 58.31 57.80 1fvr n LYS 1100Cb 0.40 -2.61 -0.06 0.00 0.02 0.00 0.00 35.03 32.78 1fvr n LYS 1100CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1fvr s THR 1101N -1.23 5.05 -0.19 3.15 2.01 -1.26 -4.96 115.64 118.21 1fvr s THR 1101Ca 0.65 1.12 0.13 0.00 0.31 0.00 0.00 61.69 63.90 1fvr s THR 1101Cb -0.44 -3.91 -0.21 0.00 0.01 0.00 0.00 72.50 67.96 1fvr s THR 1101CO 0.54 0.15 0.01 -1.22 -0.69 0.00 0.00 174.62 173.40 1fvr n TYR 1102N 4.86 0.00 -3.99 4.92 4.02 -1.26 -4.80 117.16 120.90 1fvr n TYR 1102Ca -0.03 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.56 1fvr n TYR 1102Cb 0.50 -0.89 -0.15 0.00 -0.02 0.00 0.00 39.34 38.78 1fvr n TYR 1102CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1fvr s VAL 1103N -2.44 2.17 0.26 -0.72 1.01 -1.26 -1.39 120.40 118.02 1fvr s VAL 1103Ca -0.14 -2.30 -0.30 0.00 0.00 0.00 0.00 61.98 59.25 1fvr s VAL 1103Cb 0.06 -2.61 -0.09 0.00 0.00 0.00 0.00 36.38 33.74 1fvr s VAL 1103CO 0.69 -0.61 1.30 0.21 0.00 0.00 0.00 175.10 176.69 1fvr s ASN 1104N 0.92 6.87 0.00 3.32 2.47 -0.13 -4.08 114.94 124.31 1fvr s ASN 1104Ca 0.11 2.51 0.00 0.00 0.42 0.00 0.00 52.86 55.90 1fvr s ASN 1104Cb -0.19 -2.63 0.00 0.00 -1.45 0.00 0.00 41.25 36.98 1fvr s ASN 1104CO -0.09 -0.50 0.46 0.35 -3.72 0.00 0.00 177.10 173.59 1fvr n THR 1105N 1.85 0.20 -3.13 -5.21 -2.24 -1.26 -4.84 114.28 99.64 1fvr n THR 1105Ca 0.03 -0.28 -0.39 0.00 -2.27 0.00 0.00 64.05 61.14 1fvr n THR 1105Cb 0.42 1.18 -0.05 0.00 -2.10 0.00 0.00 70.33 69.79 1fvr n THR 1105CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1fvr s THR 1106N -0.20 4.98 0.09 4.28 2.01 -1.26 -0.06 115.64 125.48 1fvr s THR 1106Ca 0.00 1.33 -0.25 0.00 0.31 0.00 0.00 61.69 63.08 1fvr s THR 1106Cb 0.00 -3.98 -0.15 0.00 0.01 0.00 0.00 72.50 68.38 1fvr s THR 1106CO 0.00 0.33 1.70 -0.07 -0.69 0.00 0.00 174.62 175.90 1fvr h LEU 1107N 6.25 -0.24 0.00 4.42 3.38 -1.71 -3.46 115.31 123.94 1fvr h LEU 1107Ca -0.43 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1fvr h LEU 1107Cb 1.20 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1fvr h LEU 1107CO 0.73 -0.16 0.00 -1.22 0.09 0.00 0.00 178.44 177.88 1fvr n TYR 1108N -5.21 0.00 0.55 1.13 4.01 -1.26 -2.48 117.16 113.91 1fvr n TYR 1108Ca -0.08 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.72 1fvr n TYR 1108Cb 0.13 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.17 1fvr n TYR 1108CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1fvr n GLU 1109N 14.00 1.67 -3.64 -0.72 1.02 -1.26 -5.00 120.64 126.70 1fvr n GLU 1109Ca 0.00 -0.83 -0.04 0.00 -0.02 0.00 0.00 57.16 56.27 1fvr n GLU 1109Cb 0.00 -1.18 -0.07 0.00 -0.02 0.00 0.00 31.44 30.17 1fvr n GLU 1109CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1fvr s LYS 1110N -1.46 0.33 -0.13 3.49 2.20 -1.03 -5.17 119.74 117.96 1fvr s LYS 1110Ca 0.11 0.46 -0.08 0.00 -0.36 0.00 0.00 55.97 56.10 1fvr s LYS 1110Cb 0.10 0.12 0.04 0.00 -1.51 0.00 0.00 37.83 36.59 1fvr s LYS 1110CO 0.28 -0.05 0.32 0.12 -0.36 0.00 0.00 175.35 175.66 1fvr s PHE 1111N 0.65 -0.42 -0.11 4.03 2.19 -1.26 -4.93 117.98 118.13 1fvr s PHE 1111Ca -0.01 0.96 0.03 0.00 0.33 0.00 0.00 56.93 58.23 1fvr s PHE 1111Cb -0.04 0.14 -0.00 0.00 -1.31 0.00 0.00 43.02 41.80 1fvr s PHE 1111CO -0.11 -0.24 -0.21 0.99 1.83 0.00 0.00 175.22 177.47 1fvr s THR 1112N 0.95 2.32 -0.03 0.12 2.01 -1.26 -5.11 115.64 114.64 1fvr s THR 1112Ca -0.06 -0.92 -0.23 0.00 0.31 0.00 0.00 61.69 60.78 1fvr s THR 1112Cb -0.07 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.48 1fvr s THR 1112CO -0.07 0.55 0.69 -0.31 -0.69 0.00 0.00 174.62 174.79 1fvr s TYR 1113N 0.36 3.63 0.42 4.92 4.12 -1.26 -4.92 117.35 124.62 1fvr s TYR 1113Ca -0.17 1.29 -0.26 0.00 0.02 0.00 0.00 57.07 57.96 1fvr s TYR 1113Cb -0.17 -2.77 -0.08 0.00 -1.52 0.00 0.00 41.96 37.42 1fvr s TYR 1113CO 0.08 0.18 1.32 0.00 0.02 0.00 0.00 175.55 177.16 1fvr s ALA 1114N 0.40 3.23 0.72 3.71 0.00 -1.26 -4.96 121.76 123.60 1fvr s ALA 1114Ca 0.36 1.27 -0.15 0.00 0.00 0.00 0.00 51.96 53.44 1fvr s ALA 1114Cb -0.18 -3.51 0.03 0.00 0.00 0.00 0.00 23.12 19.46 1fvr s ALA 1114CO 0.19 -0.91 1.19 0.20 0.00 0.00 0.00 175.76 176.43 1fvr s GLY 1115N -0.73 2.32 -0.32 0.00 0.00 -1.26 -4.68 107.32 102.65 1fvr s GLY 1115Ca 0.59 0.83 0.01 0.00 0.00 0.00 0.00 44.72 46.14 1fvr s GLY 1115CO 0.50 1.23 0.08 -0.42 0.00 0.00 0.00 173.10 174.49 1fvr s ILE 1116N -2.04 1.28 -0.92 0.90 1.01 -1.26 -1.56 121.20 118.61 1fvr s ILE 1116Ca 0.73 -1.65 -0.18 0.00 0.00 0.00 0.00 60.65 59.55 1fvr s ILE 1116Cb -0.28 -1.95 0.14 0.00 0.01 0.00 0.00 42.46 40.38 1fvr s ILE 1116CO 0.45 -0.64 1.08 -0.62 0.00 0.00 0.00 174.94 175.21 1fvr s ASP 1117N 1.41 6.65 0.00 3.58 2.15 -1.26 -4.84 116.67 124.36 1fvr s ASP 1117Ca 0.10 -2.13 0.06 0.00 0.43 0.00 0.00 52.55 51.00 1fvr s ASP 1117Cb -0.18 -2.38 0.26 0.00 -0.30 0.00 0.00 42.92 40.33 1fvr s ASP 1117CO -0.20 -1.00 1.15 0.00 -0.17 0.00 0.00 175.17 174.95 1fvr n SER 1119N -1.44 0.38 0.00 0.00 2.88 -1.26 -2.58 113.62 111.59 1fvr n SER 1119Ca 0.02 -1.34 0.00 0.00 -1.33 0.00 0.00 58.87 56.21 1fvr n SER 1119Cb 0.06 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1fvr n SER 1119CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1fvr n ALA 1120N -0.60 1.82 -0.36 -1.46 0.00 -0.00 -5.19 120.51 114.71 1fvr n ALA 1120Ca 0.18 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1fvr n ALA 1120Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 1fvr n ALA 1120CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89