#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a74 n ASP 732 N 0.00 7.19 -3.64 4.31 -0.08 -1.26 -4.90 116.55 118.18 2a74 n ASP 732 Ca 0.00 -3.56 -0.08 0.00 -1.51 0.00 0.00 54.79 49.64 2a74 n ASP 732 Cb 0.00 -1.07 -0.07 0.00 2.34 0.00 0.00 41.12 42.32 2a74 n ASP 732 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 2a74 s ILE 733 N -3.93 0.00 0.32 5.18 2.07 -1.26 -1.49 121.20 122.09 2a74 s ILE 733 Ca 0.54 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.49 2a74 s ILE 733 Cb 0.42 -1.00 -0.11 0.00 0.13 0.00 0.00 42.46 41.90 2a74 s ILE 733 CO -0.17 0.00 1.45 -0.63 -1.91 0.00 0.00 174.94 173.68 2a74 s ILE 734 N 0.41 2.37 0.21 2.00 1.01 -1.26 -4.97 121.20 120.98 2a74 s ILE 734 Ca 0.01 0.34 -0.30 0.00 0.00 0.00 0.00 60.65 60.71 2a74 s ILE 734 Cb -0.05 -3.22 -0.08 0.00 0.01 0.00 0.00 42.46 39.12 2a74 s ILE 734 CO -0.08 0.07 1.05 0.00 0.00 0.00 0.00 174.94 175.99 2a74 s ALA 735 N -0.60 3.36 0.24 9.38 0.00 -1.26 -4.85 121.76 128.03 2a74 s ALA 735 Ca 0.56 0.77 -0.06 0.00 0.00 0.00 0.00 51.96 53.23 2a74 s ALA 735 Cb -0.44 -3.31 0.40 0.00 0.00 0.00 0.00 23.12 19.78 2a74 s ALA 735 CO 0.52 -0.09 1.31 -1.91 0.00 0.00 0.00 175.76 175.60 2a74 n GLU 736 N 1.90 -0.08 0.16 0.00 0.00 -1.26 -0.20 120.64 121.16 2a74 n GLU 736 Ca 0.01 1.31 0.12 0.00 0.00 0.00 0.00 57.16 58.60 2a74 n GLU 736 Cb 0.46 -1.97 0.57 0.00 0.00 0.00 0.00 31.44 30.51 2a74 n GLU 736 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2a74 h GLU 737 N 0.00 0.00 -0.02 5.31 3.07 -2.04 -2.26 114.58 118.64 2a74 h GLU 737 Ca 0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 2a74 h GLU 737 Cb 0.64 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 2a74 h GLU 737 CO -0.86 0.00 -0.14 0.09 -1.40 0.00 0.00 179.01 176.69 2a74 n ASN 738 N -2.34 2.07 -4.61 1.42 4.13 0.72 -4.83 115.26 111.82 2a74 n ASN 738 Ca 0.01 -1.58 -0.40 0.00 1.68 0.00 0.00 54.58 54.28 2a74 n ASN 738 Cb 0.16 0.12 -0.07 0.00 -1.54 0.00 0.00 39.78 38.45 2a74 n ASN 738 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2a74 s ILE 739 N -2.18 5.03 -0.22 2.41 1.01 -0.85 -5.00 121.20 121.40 2a74 s ILE 739 Ca 0.28 0.85 -0.16 0.00 0.00 0.00 0.00 60.65 61.62 2a74 s ILE 739 Cb 0.20 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 2a74 s ILE 739 CO 0.40 0.00 0.43 -0.69 0.00 0.00 0.00 174.94 175.08 2a74 s VAL 740 N 2.40 5.17 0.31 2.92 1.01 -1.26 -4.98 120.40 125.97 2a74 s VAL 740 Ca 0.22 0.74 -0.23 0.00 0.00 0.00 0.00 61.98 62.72 2a74 s VAL 740 Cb -0.15 -3.75 -0.10 0.00 0.00 0.00 0.00 36.38 32.38 2a74 s VAL 740 CO 0.10 0.21 0.88 -0.44 0.00 0.00 0.00 175.10 175.84 2a74 s SER 741 N 1.20 7.17 0.34 3.32 0.01 -1.26 -4.50 113.70 119.99 2a74 s SER 741 Ca 0.19 1.67 -0.29 0.00 1.31 0.00 0.00 55.95 58.84 2a74 s SER 741 Cb -0.15 -2.52 -0.10 0.00 0.21 0.00 0.00 66.02 63.45 2a74 s SER 741 CO 0.09 -0.09 1.35 -0.13 0.41 0.00 0.00 173.24 174.86 2a74 s ARG 742 N -2.26 4.30 0.00 12.44 0.52 0.14 -4.81 118.95 129.28 2a74 s ARG 742 Ca 0.50 2.30 0.00 0.00 -0.52 0.00 0.00 55.73 58.02 2a74 s ARG 742 Cb -0.16 -3.05 0.00 0.00 0.52 0.00 0.00 34.95 32.26 2a74 s ARG 742 CO 0.21 -0.27 0.00 -1.13 0.02 0.00 0.00 175.30 174.13 2a74 n SER 743 N 0.71 0.00 -4.40 0.23 3.41 -1.26 -1.78 113.62 110.54 2a74 n SER 743 Ca 0.00 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.17 2a74 n SER 743 Cb 0.41 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.33 2a74 n SER 743 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2a74 s GLU 744 N 0.00 3.27 -0.44 4.33 2.02 -1.26 -4.91 118.70 121.71 2a74 s GLU 744 Ca 0.00 -1.53 0.08 0.00 0.02 0.00 0.00 54.97 53.53 2a74 s GLU 744 Cb 0.00 -4.45 0.41 0.00 0.10 0.00 0.00 34.13 30.19 2a74 s GLU 744 CO 0.00 -1.60 1.04 1.19 0.02 0.00 0.00 175.26 175.90 2a74 n PHE 745 N 6.23 2.96 -2.42 1.61 3.72 -1.26 -0.79 117.46 127.52 2a74 n PHE 745 Ca 0.03 -3.24 -0.34 0.00 -0.05 0.00 0.00 57.45 53.84 2a74 n PHE 745 Cb 0.45 -0.22 -0.02 0.00 -0.94 0.00 0.00 39.48 38.75 2a74 n PHE 745 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2a74 s PRO 746 N -3.40 3.60 0.11 -1.08 0.04 -1.26 -4.96 135.00 128.05 2a74 s PRO 746 Ca 0.44 1.47 0.06 0.00 0.04 0.00 0.00 61.00 63.01 2a74 s PRO 746 Cb 0.39 -2.05 -0.22 0.00 0.04 0.00 0.00 34.50 32.65 2a74 s PRO 746 CO -0.14 -0.62 1.23 0.93 0.04 0.00 0.00 177.00 178.45 2a74 h GLU 747 N 1.39 0.03 -4.56 4.56 5.08 -2.05 -3.45 114.58 115.58 2a74 h GLU 747 Ca -0.50 -0.05 -0.25 0.00 -1.00 0.00 0.00 59.36 57.56 2a74 h GLU 747 Cb 1.24 0.02 -0.19 0.00 0.50 0.00 0.00 28.75 30.32 2a74 h GLU 747 CO 0.58 1.00 -0.72 -1.54 -1.00 0.00 0.00 179.01 177.33 2a74 s SER 748 N -6.73 0.92 0.00 1.42 1.04 -1.26 -5.10 113.70 103.99 2a74 s SER 748 Ca 0.00 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.70 2a74 s SER 748 Cb 0.10 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.28 2a74 s SER 748 CO 0.83 -0.32 0.00 -2.67 0.98 0.00 0.00 173.24 172.06 2a74 n TRP 749 N 0.88 -0.04 -3.18 5.02 4.27 -1.26 -4.99 117.44 118.14 2a74 n TRP 749 Ca -0.19 0.00 -0.23 0.00 -3.89 0.00 0.00 57.50 53.19 2a74 n TRP 749 Cb 0.57 0.00 0.02 0.00 -1.36 0.00 0.00 31.31 30.54 2a74 n TRP 749 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 2a74 n LEU 750 N 0.00 -2.27 -3.96 5.67 7.94 -1.26 -4.84 117.00 118.27 2a74 n LEU 750 Ca 0.00 -0.34 -0.38 0.00 -1.11 0.00 0.00 56.01 54.18 2a74 n LEU 750 Cb 0.00 -2.65 -0.06 0.00 0.53 0.00 0.00 43.42 41.24 2a74 n LEU 750 CO 0.00 0.22 1.91 1.87 -1.11 0.00 0.00 177.39 180.28 2a74 n TRP 751 N -4.32 2.21 -4.92 1.96 -0.00 -1.26 -4.90 117.44 106.22 2a74 n TRP 751 Ca -0.07 -1.71 -0.28 0.00 -0.00 0.00 0.00 57.50 55.44 2a74 n TRP 751 Cb 0.59 -2.03 -0.15 0.00 -0.00 0.00 0.00 31.31 29.72 2a74 n TRP 751 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 2a74 s ASN 752 N 5.48 2.78 -0.10 5.87 0.01 -1.26 -5.13 114.94 122.58 2a74 s ASN 752 Ca 0.61 -0.50 -0.01 0.00 -0.71 0.00 0.00 52.86 52.25 2a74 s ASN 752 Cb 0.09 -0.27 -0.03 0.00 0.41 0.00 0.00 41.25 41.46 2a74 s ASN 752 CO 0.12 0.24 -0.06 0.54 -1.51 0.00 0.00 177.10 176.43 2a74 s VAL 753 N -0.70 3.71 -0.07 1.60 0.11 -1.26 -5.09 120.40 118.70 2a74 s VAL 753 Ca 0.09 -0.46 -0.04 0.00 -2.93 0.00 0.00 61.98 58.65 2a74 s VAL 753 Cb -0.09 -2.55 0.03 0.00 -1.53 0.00 0.00 36.38 32.24 2a74 s VAL 753 CO 0.01 0.56 0.16 -1.61 -3.33 0.00 0.00 175.10 170.89 2a74 s GLU 754 N -0.33 0.13 -0.00 1.54 0.41 -1.26 -5.16 118.70 114.03 2a74 s GLU 754 Ca 0.05 0.34 -0.06 0.00 -0.41 0.00 0.00 54.97 54.89 2a74 s GLU 754 Cb -0.12 -0.09 -0.05 0.00 -1.78 0.00 0.00 34.13 32.08 2a74 s GLU 754 CO 0.02 -0.12 0.25 -0.51 -0.49 0.00 0.00 175.26 174.41 2a74 s ASP 755 N 0.86 6.47 -0.95 -0.19 1.01 -1.26 -5.05 116.67 117.56 2a74 s ASP 755 Ca -0.06 0.53 -0.14 0.00 0.71 0.00 0.00 52.55 53.58 2a74 s ASP 755 Cb -0.08 -2.08 0.21 0.00 1.01 0.00 0.00 42.92 41.98 2a74 s ASP 755 CO -0.04 0.26 0.99 -0.76 0.21 0.00 0.00 175.17 175.83 2a74 s LEU 756 N -1.73 6.11 -0.01 1.23 1.43 -1.26 -4.81 118.68 119.64 2a74 s LEU 756 Ca 0.27 -2.78 0.15 0.00 -1.03 0.00 0.00 54.13 50.74 2a74 s LEU 756 Cb -0.13 -2.27 -0.20 0.00 0.03 0.00 0.00 46.19 43.62 2a74 s LEU 756 CO 0.16 -0.64 0.50 0.29 0.23 0.00 0.00 176.35 176.89 2a74 n LYS 757 N 4.45 1.36 -2.29 1.70 4.01 -1.26 -4.88 118.16 121.25 2a74 n LYS 757 Ca 0.21 -0.06 -0.41 0.00 -0.51 0.00 0.00 58.31 57.54 2a74 n LYS 757 Cb 0.45 -1.28 -0.03 0.00 -0.51 0.00 0.00 35.03 33.67 2a74 n LYS 757 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2a74 s GLU 758 N -2.70 4.49 -0.44 1.97 8.01 -1.26 -4.81 118.70 123.96 2a74 s GLU 758 Ca 0.01 2.01 -0.44 0.00 0.01 0.00 0.00 54.97 56.56 2a74 s GLU 758 Cb 0.11 -3.14 -0.18 0.00 -4.31 0.00 0.00 34.13 26.61 2a74 s GLU 758 CO 0.62 -0.01 1.83 -0.35 0.01 0.00 0.00 175.26 177.36 2a74 n PRO 759 N 1.19 0.35 -2.57 0.39 -0.04 -1.26 -4.51 135.00 128.55 2a74 n PRO 759 Ca 0.00 0.12 -0.38 0.00 -0.04 0.00 0.00 63.50 63.20 2a74 n PRO 759 Cb 0.43 -1.72 -0.05 0.00 -0.04 0.00 0.00 33.50 32.13 2a74 n PRO 759 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2a74 s PRO 760 N 4.20 4.41 -0.31 0.54 0.04 -1.26 -4.84 135.00 137.78 2a74 s PRO 760 Ca 1.08 1.58 -0.08 0.00 0.04 0.00 0.00 61.00 63.62 2a74 s PRO 760 Cb -1.35 -2.82 0.01 0.00 0.04 0.00 0.00 34.50 30.38 2a74 s PRO 760 CO 0.71 0.06 0.11 0.15 0.04 0.00 0.00 177.00 178.08 2a74 s LYS 761 N -2.03 3.13 -1.52 4.56 -0.14 0.00 -4.61 119.74 119.13 2a74 s LYS 761 Ca 0.52 -0.84 -0.09 0.00 -1.36 0.00 0.00 55.97 54.19 2a74 s LYS 761 Cb -0.25 -3.45 0.07 0.00 -1.68 0.00 0.00 37.83 32.52 2a74 s LYS 761 CO 0.32 -0.46 0.69 0.09 -0.76 0.00 0.00 175.35 175.23 2a74 n ASN 762 N 4.91 -2.35 -1.92 2.83 4.13 -1.26 -0.76 115.26 120.84 2a74 n ASN 762 Ca -0.14 -0.94 -0.17 0.00 1.68 0.00 0.00 54.58 55.02 2a74 n ASN 762 Cb 0.48 -3.26 -0.01 0.00 -1.54 0.00 0.00 39.78 35.45 2a74 n ASN 762 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2a74 n GLY 763 N -1.69 -0.31 3.00 7.41 0.00 -1.26 -5.03 105.19 107.31 2a74 n GLY 763 Ca -0.11 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 2a74 n GLY 763 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a74 s ILE 764 N -2.84 1.42 0.00 -0.61 1.01 0.07 -5.10 121.20 115.16 2a74 s ILE 764 Ca 0.01 -0.55 -0.06 0.00 0.00 0.00 0.00 60.65 60.05 2a74 s ILE 764 Cb -0.01 -1.34 -0.05 0.00 0.01 0.00 0.00 42.46 41.07 2a74 s ILE 764 CO 0.02 0.43 0.26 -0.44 0.00 0.00 0.00 174.94 175.21 2a74 s SER 765 N 1.39 6.49 -0.29 3.58 0.01 -1.26 -0.82 113.70 122.80 2a74 s SER 765 Ca 0.02 0.55 -0.01 0.00 1.31 0.00 0.00 55.95 57.82 2a74 s SER 765 Cb -0.13 -2.08 0.05 0.00 0.21 0.00 0.00 66.02 64.07 2a74 s SER 765 CO -0.08 0.26 -0.02 -0.89 0.41 0.00 0.00 173.24 172.92 2a74 s THR 766 N -1.29 2.78 -0.10 1.44 2.01 -1.26 -5.04 115.64 114.17 2a74 s THR 766 Ca 0.27 -1.47 -0.20 0.00 0.31 0.00 0.00 61.69 60.60 2a74 s THR 766 Cb -0.13 -2.62 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 2a74 s THR 766 CO 0.16 -0.11 0.55 -0.75 -0.69 0.00 0.00 174.62 173.78 2a74 s LYS 767 N 1.21 4.37 -0.26 4.92 2.20 -1.26 -4.75 119.74 126.16 2a74 s LYS 767 Ca -0.06 0.59 -0.09 0.00 -0.36 0.00 0.00 55.97 56.05 2a74 s LYS 767 Cb -0.20 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 2a74 s LYS 767 CO -0.02 0.12 0.11 -0.51 -0.36 0.00 0.00 175.35 174.69 2a74 s LEU 768 N 0.71 3.65 -0.17 5.43 1.43 -1.26 -5.09 118.68 123.38 2a74 s LEU 768 Ca 0.30 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.26 2a74 s LEU 768 Cb -0.16 -1.99 0.03 0.00 0.03 0.00 0.00 46.19 44.10 2a74 s LEU 768 CO 0.13 -0.04 -0.13 -0.32 0.23 0.00 0.00 176.35 176.21 2a74 s MET 769 N 1.67 2.28 -0.19 1.70 1.75 -1.26 -5.10 119.30 120.15 2a74 s MET 769 Ca 0.07 -0.69 -0.24 0.00 -1.25 0.00 0.00 55.69 53.58 2a74 s MET 769 Cb -0.15 -2.27 -0.02 0.00 2.84 0.00 0.00 34.83 35.23 2a74 s MET 769 CO 0.06 -0.30 0.77 1.21 -0.65 0.00 0.00 175.02 176.11 2a74 s ASN 770 N 1.43 6.86 0.20 1.11 3.84 -1.26 -5.06 114.94 122.06 2a74 s ASN 770 Ca 0.03 1.05 0.09 0.00 0.21 0.00 0.00 52.86 54.24 2a74 s ASN 770 Cb -0.14 -2.42 -0.04 0.00 -0.55 0.00 0.00 41.25 38.09 2a74 s ASN 770 CO -0.10 -0.38 -0.18 0.27 -2.79 0.00 0.00 177.10 173.92 2a74 s ILE 771 N 2.18 1.95 -0.35 -5.21 -4.36 -1.26 -5.12 121.20 109.03 2a74 s ILE 771 Ca 0.35 -2.10 -0.04 0.00 -0.26 0.00 0.00 60.65 58.60 2a74 s ILE 771 Cb -0.16 -2.00 0.06 0.00 1.25 0.00 0.00 42.46 41.61 2a74 s ILE 771 CO 0.11 -0.40 0.11 -0.36 0.24 0.00 0.00 174.94 174.64 2a74 s PHE 772 N -2.37 3.35 0.28 1.37 0.40 -1.26 -5.09 117.98 114.66 2a74 s PHE 772 Ca 0.20 -1.82 -0.29 0.00 -0.60 0.00 0.00 56.93 54.43 2a74 s PHE 772 Cb -0.04 -2.52 -0.14 0.00 0.51 0.00 0.00 43.02 40.83 2a74 s PHE 772 CO 0.08 -0.83 1.08 1.28 0.70 0.00 0.00 175.22 177.54 2a74 n LEU 773 N 4.71 2.05 0.00 -0.37 4.77 -1.26 -4.99 117.00 121.91 2a74 n LEU 773 Ca -0.10 1.18 -0.07 0.00 -0.03 0.00 0.00 56.01 56.99 2a74 n LEU 773 Cb 0.43 -1.31 0.06 0.00 -2.33 0.00 0.00 43.42 40.27 2a74 n LEU 773 CO 0.31 -1.23 0.15 0.29 -1.33 0.00 0.00 177.39 175.58 2a74 n LYS 774 N 0.89 -1.46 0.06 3.23 4.01 -1.26 -4.98 118.16 118.65 2a74 n LYS 774 Ca 0.10 -0.42 0.12 0.00 -0.51 0.00 0.00 58.31 57.59 2a74 n LYS 774 Cb 0.32 -0.39 0.13 0.00 -0.51 0.00 0.00 35.03 34.58 2a74 n LYS 774 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 2a74 h ASP 775 N -1.37 0.00 -4.09 4.39 3.32 -1.35 -3.48 116.42 113.85 2a74 h ASP 775 Ca -0.10 -0.20 -0.53 0.00 0.02 0.00 0.00 57.03 56.22 2a74 h ASP 775 Cb 0.30 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.96 2a74 h ASP 775 CO 0.06 0.10 0.48 -0.44 -1.72 0.00 0.00 179.24 177.73 2a74 s SER 776 N -4.37 5.28 -0.89 6.45 0.01 -1.23 -4.94 113.70 114.00 2a74 s SER 776 Ca 0.05 2.41 -0.07 0.00 1.31 0.00 0.00 55.95 59.65 2a74 s SER 776 Cb 0.13 -2.60 0.23 0.00 0.21 0.00 0.00 66.02 63.98 2a74 s SER 776 CO 0.74 -1.53 0.81 -0.63 0.41 0.00 0.00 173.24 173.04 2a74 s ILE 777 N -1.56 5.03 0.01 1.44 1.01 -1.26 -4.82 121.20 121.05 2a74 s ILE 777 Ca 0.76 -3.23 0.00 0.00 0.00 0.00 0.00 60.65 58.18 2a74 s ILE 777 Cb -0.31 -4.11 -0.00 0.00 0.01 0.00 0.00 42.46 38.05 2a74 s ILE 777 CO 0.34 -1.06 0.00 0.35 0.00 0.00 0.00 174.94 174.57 2a74 n THR 778 N 3.05 0.00 -3.66 2.92 -2.24 -1.14 -4.95 114.28 108.26 2a74 n THR 778 Ca 0.18 -0.05 -0.36 0.00 -2.27 0.00 0.00 64.05 61.55 2a74 n THR 778 Cb 0.40 0.02 -0.08 0.00 -2.10 0.00 0.00 70.33 68.57 2a74 n THR 778 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2a74 s THR 779 N -1.95 5.37 0.01 4.28 2.01 -1.26 0.02 115.64 124.12 2a74 s THR 779 Ca 0.01 0.27 -0.22 0.00 0.31 0.00 0.00 61.69 62.07 2a74 s THR 779 Cb 0.00 -3.52 -0.05 0.00 0.01 0.00 0.00 72.50 68.94 2a74 s THR 779 CO 0.00 0.39 0.64 0.26 -0.69 0.00 0.00 174.62 175.23 2a74 s TRP 780 N 0.64 3.71 -0.28 4.92 0.52 0.11 -4.93 118.94 123.62 2a74 s TRP 780 Ca 0.10 1.28 -0.09 0.00 0.02 0.00 0.00 56.10 57.41 2a74 s TRP 780 Cb -0.12 -2.66 -0.03 0.00 -1.15 0.00 0.00 33.47 29.51 2a74 s TRP 780 CO 0.01 0.35 0.14 -2.00 0.02 0.00 0.00 176.95 175.46 2a74 s GLU 781 N -0.22 3.61 -0.33 4.98 2.12 -1.26 -0.88 118.70 126.72 2a74 s GLU 781 Ca 0.33 -0.53 -0.11 0.00 0.36 0.00 0.00 54.97 55.02 2a74 s GLU 781 Cb -0.19 -3.51 -0.01 0.00 0.26 0.00 0.00 34.13 30.68 2a74 s GLU 781 CO 0.19 -0.28 0.19 0.42 -0.54 0.00 0.00 175.26 175.25 2a74 s ILE 782 N 1.66 4.87 -0.23 -3.70 1.01 0.17 -4.91 121.20 120.07 2a74 s ILE 782 Ca 0.06 -0.39 -0.08 0.00 0.00 0.00 0.00 60.65 60.23 2a74 s ILE 782 Cb -0.16 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 2a74 s ILE 782 CO 0.07 -0.00 0.10 -0.22 0.00 0.00 0.00 174.94 174.89 2a74 s LEU 783 N 1.65 3.79 -0.00 2.97 2.96 -1.26 -0.42 118.68 128.36 2a74 s LEU 783 Ca 0.05 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 2a74 s LEU 783 Cb -0.17 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 2a74 s LEU 783 CO 0.08 0.06 -0.02 0.00 -1.32 0.00 0.00 176.35 175.14 2a74 s ALA 784 N 1.07 3.19 -0.05 5.97 0.00 -1.26 -5.04 121.76 125.64 2a74 s ALA 784 Ca 0.05 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.05 2a74 s ALA 784 Cb -0.14 -1.27 0.02 0.00 0.00 0.00 0.00 23.12 21.74 2a74 s ALA 784 CO 0.04 0.63 -0.04 0.08 0.00 0.00 0.00 175.76 176.47 2a74 s VAL 785 N -1.05 0.53 0.00 0.00 1.01 -1.26 -1.04 120.40 118.60 2a74 s VAL 785 Ca 0.18 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.09 2a74 s VAL 785 Cb -0.11 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 2a74 s VAL 785 CO 0.09 0.23 -0.11 -0.94 0.00 0.00 0.00 175.10 174.36 2a74 s SER 786 N 0.95 4.29 -0.03 3.32 1.04 0.12 -4.96 113.70 118.42 2a74 s SER 786 Ca -0.11 -0.23 0.06 0.00 0.48 0.00 0.00 55.95 56.16 2a74 s SER 786 Cb -0.14 -0.91 -0.02 0.00 0.10 0.00 0.00 66.02 65.05 2a74 s SER 786 CO -0.00 0.29 -0.23 -0.32 0.98 0.00 0.00 173.24 173.96 2a74 s MET 787 N -1.28 2.29 -0.03 4.02 1.75 -1.26 -1.02 119.30 123.77 2a74 s MET 787 Ca 0.15 -0.86 -0.07 0.00 -1.25 0.00 0.00 55.69 53.66 2a74 s MET 787 Cb -0.11 -2.15 0.01 0.00 2.84 0.00 0.00 34.83 35.42 2a74 s MET 787 CO 0.05 0.55 0.16 0.45 -0.65 0.00 0.00 175.02 175.58 2a74 s SER 788 N -0.57 -0.08 0.51 1.11 0.15 -0.39 -4.98 113.70 109.46 2a74 s SER 788 Ca 0.08 0.06 0.29 0.00 0.70 0.00 0.00 55.95 57.09 2a74 s SER 788 Cb -0.11 0.28 1.30 0.00 -1.71 0.00 0.00 66.02 65.79 2a74 s SER 788 CO 0.00 -0.23 1.98 0.44 1.20 0.00 0.00 173.24 176.63 2a74 h ASP 789 N 5.01 0.00 0.00 5.45 3.32 -2.01 -0.94 116.42 127.25 2a74 h ASP 789 Ca -0.28 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.71 2a74 h ASP 789 Cb 1.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 2a74 h ASP 789 CO 0.40 0.12 -1.37 1.17 -1.72 0.00 0.00 179.24 177.84 2a74 n LYS 790 N -3.34 1.77 0.00 3.56 3.00 -1.26 -4.76 118.16 117.13 2a74 n LYS 790 Ca -0.00 -0.03 0.07 0.00 -0.00 0.00 0.00 58.31 58.35 2a74 n LYS 790 Cb 0.32 -1.16 -0.08 0.00 0.00 0.00 0.00 35.03 34.11 2a74 n LYS 790 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2a74 n LYS 791 N -2.01 1.95 0.00 1.64 4.76 -1.22 -5.09 118.16 118.19 2a74 n LYS 791 Ca -0.06 -0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.29 2a74 n LYS 791 Cb 0.47 -1.22 0.00 0.00 -1.84 0.00 0.00 35.03 32.43 2a74 n LYS 791 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2a74 n GLY 792 N 1.34 0.02 3.77 0.72 0.00 -0.36 -4.87 105.19 105.81 2a74 n GLY 792 Ca 0.03 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 2a74 n GLY 792 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2a74 s ILE 793 N 0.00 5.18 -0.12 -0.61 2.07 -1.26 -1.26 121.20 125.19 2a74 s ILE 793 Ca 0.00 0.09 -0.04 0.00 -1.41 0.00 0.00 60.65 59.30 2a74 s ILE 793 Cb 0.00 -3.28 0.06 0.00 0.13 0.00 0.00 42.46 39.37 2a74 s ILE 793 CO 0.00 0.55 0.16 0.00 -1.91 0.00 0.00 174.94 173.74 2a74 s VAL 795 N 2.27 4.98 0.74 0.00 0.11 -1.26 0.11 120.40 127.34 2a74 s VAL 795 Ca 0.04 0.05 -0.11 0.00 -2.93 0.00 0.00 61.98 59.03 2a74 s VAL 795 Cb -0.13 -3.33 0.03 0.00 -1.53 0.00 0.00 36.38 31.41 2a74 s VAL 795 CO -0.08 0.32 1.09 0.00 -3.33 0.00 0.00 175.10 173.11 2a74 s ALA 796 N 1.37 2.66 0.38 1.54 0.00 -0.20 -5.01 121.76 122.50 2a74 s ALA 796 Ca 0.06 -0.27 -0.28 0.00 0.00 0.00 0.00 51.96 51.47 2a74 s ALA 796 Cb -0.15 -3.06 -0.10 0.00 0.00 0.00 0.00 23.12 19.81 2a74 s ALA 796 CO 0.06 -1.34 1.43 -0.51 0.00 0.00 0.00 175.76 175.39 2a74 s ASP 797 N -4.17 6.38 0.48 0.00 -0.00 -1.26 -4.70 116.67 113.40 2a74 s ASP 797 Ca 0.59 2.93 -0.23 0.00 -0.00 0.00 0.00 52.55 55.84 2a74 s ASP 797 Cb -0.12 -2.66 -0.07 0.00 -0.00 0.00 0.00 42.92 40.07 2a74 s ASP 797 CO 0.53 -0.83 1.23 -2.84 -0.00 0.00 0.00 175.17 173.26 2a74 s PRO 798 N -2.08 3.58 -0.11 8.23 0.02 -1.26 -4.77 135.00 138.60 2a74 s PRO 798 Ca 0.53 1.94 0.00 0.00 0.02 0.00 0.00 61.00 63.50 2a74 s PRO 798 Cb -0.44 -2.38 -0.02 0.00 0.02 0.00 0.00 34.50 31.68 2a74 s PRO 798 CO 0.59 -0.75 -0.11 0.12 -0.33 0.00 0.00 177.00 176.52 2a74 s PHE 799 N -1.45 2.83 -0.10 6.54 5.36 0.43 -4.91 117.98 126.69 2a74 s PHE 799 Ca 0.66 -0.44 -0.03 0.00 -0.96 0.00 0.00 56.93 56.15 2a74 s PHE 799 Cb -0.33 -1.81 -0.03 0.00 -0.34 0.00 0.00 43.02 40.51 2a74 s PHE 799 CO 0.40 -0.06 0.03 -1.21 -1.46 0.00 0.00 175.22 172.91 2a74 s GLU 800 N 0.05 3.12 -0.15 10.12 2.02 -1.26 0.45 118.70 133.05 2a74 s GLU 800 Ca -0.04 -0.36 0.00 0.00 0.02 0.00 0.00 54.97 54.60 2a74 s GLU 800 Cb -0.14 -2.88 0.02 0.00 0.10 0.00 0.00 34.13 31.23 2a74 s GLU 800 CO 0.04 0.69 -0.14 0.08 0.02 0.00 0.00 175.26 175.95 2a74 s VAL 801 N -0.84 1.60 -0.18 2.63 1.01 -0.06 -4.97 120.40 119.59 2a74 s VAL 801 Ca 0.13 -0.66 -0.19 0.00 0.00 0.00 0.00 61.98 61.26 2a74 s VAL 801 Cb -0.12 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 2a74 s VAL 801 CO 0.03 0.46 0.55 -0.89 0.00 0.00 0.00 175.10 175.24 2a74 s THR 802 N 1.47 5.09 -0.10 3.92 2.01 -1.26 0.08 115.64 126.85 2a74 s THR 802 Ca 0.05 1.05 -0.01 0.00 0.31 0.00 0.00 61.69 63.09 2a74 s THR 802 Cb -0.13 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.48 2a74 s THR 802 CO -0.11 0.18 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.25 2a74 s VAL 803 N 1.52 3.70 0.01 3.82 1.01 0.10 -4.98 120.40 125.58 2a74 s VAL 803 Ca 0.26 -0.46 -0.26 0.00 0.00 0.00 0.00 61.98 61.53 2a74 s VAL 803 Cb -0.16 -2.55 0.06 0.00 0.00 0.00 0.00 36.38 33.73 2a74 s VAL 803 CO 0.10 0.56 0.59 -0.32 0.00 0.00 0.00 175.10 176.03 2a74 s MET 804 N -0.28 1.05 0.04 2.72 0.00 -1.26 -2.90 119.30 118.66 2a74 s MET 804 Ca 0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 55.69 55.67 2a74 s MET 804 Cb -0.13 0.49 -0.02 0.00 0.00 0.00 0.00 34.83 35.17 2a74 s MET 804 CO 0.02 -0.36 0.07 -0.65 0.00 0.00 0.00 175.02 174.10 2a74 s GLN 805 N -1.90 0.56 0.22 4.11 -0.21 -1.26 -5.06 119.66 116.12 2a74 s GLN 805 Ca -0.08 -0.80 -0.02 0.00 0.02 0.00 0.00 55.36 54.48 2a74 s GLN 805 Cb -0.01 0.22 0.19 0.00 1.00 0.00 0.00 33.01 34.41 2a74 s GLN 805 CO 0.03 -0.13 1.58 -0.44 -2.12 0.00 0.00 175.29 174.21 2a74 h ASP 806 N 3.70 0.62 -3.44 5.90 5.19 -1.94 -3.44 116.42 122.99 2a74 h ASP 806 Ca -0.33 -0.28 -0.29 0.00 -0.62 0.00 0.00 57.03 55.52 2a74 h ASP 806 Cb 1.18 -0.17 -0.34 0.00 0.18 0.00 0.00 39.33 40.18 2a74 h ASP 806 CO 0.51 0.96 -0.68 0.12 -3.12 0.00 0.00 179.24 177.03 2a74 s PHE 807 N -4.23 -0.05 0.08 4.55 5.36 -1.26 -0.27 117.98 122.16 2a74 s PHE 807 Ca -0.08 0.29 -0.22 0.00 -0.96 0.00 0.00 56.93 55.97 2a74 s PHE 807 Cb 0.12 -0.21 0.05 0.00 -0.34 0.00 0.00 43.02 42.65 2a74 s PHE 807 CO 0.83 -0.14 0.52 -0.59 -1.46 0.00 0.00 175.22 174.38 2a74 s PHE 808 N 1.28 -0.41 0.10 10.12 -0.12 -1.11 -4.80 117.98 123.04 2a74 s PHE 808 Ca -0.07 0.36 -0.14 0.00 -0.05 0.00 0.00 56.93 57.03 2a74 s PHE 808 Cb -0.12 0.37 -0.07 0.00 -0.63 0.00 0.00 43.02 42.57 2a74 s PHE 808 CO -0.04 -0.69 0.51 0.42 -0.05 0.00 0.00 175.22 175.36 2a74 s ILE 809 N -2.88 4.90 -0.31 -4.49 1.01 -1.26 -0.41 121.20 117.76 2a74 s ILE 809 Ca -0.03 0.83 -0.02 0.00 0.00 0.00 0.00 60.65 61.42 2a74 s ILE 809 Cb -0.00 -3.74 0.05 0.00 0.01 0.00 0.00 42.46 38.78 2a74 s ILE 809 CO -0.05 0.35 0.02 -0.62 0.00 0.00 0.00 174.94 174.64 2a74 s ASP 810 N -1.54 4.95 -0.62 3.58 2.15 0.15 -4.90 116.67 120.44 2a74 s ASP 810 Ca 0.34 -1.31 -0.21 0.00 0.43 0.00 0.00 52.55 51.80 2a74 s ASP 810 Cb -0.16 -1.73 0.08 0.00 -0.30 0.00 0.00 42.92 40.80 2a74 s ASP 810 CO 0.18 -0.28 0.87 -0.22 -0.17 0.00 0.00 175.17 175.54 2a74 s LEU 811 N 1.26 4.68 -0.87 -1.34 2.96 -1.26 -0.21 118.68 123.89 2a74 s LEU 811 Ca -0.04 -1.05 -0.22 0.00 -0.22 0.00 0.00 54.13 52.60 2a74 s LEU 811 Cb -0.20 -2.42 0.08 0.00 0.50 0.00 0.00 46.19 44.15 2a74 s LEU 811 CO -0.01 -1.30 1.21 -0.13 -1.32 0.00 0.00 176.35 174.80 2a74 s ARG 812 N 3.58 3.43 0.01 1.98 1.81 -0.69 -5.02 118.95 124.06 2a74 s ARG 812 Ca 0.19 -1.17 -0.01 0.00 -1.72 0.00 0.00 55.73 53.02 2a74 s ARG 812 Cb -0.19 -4.80 -0.04 0.00 -0.45 0.00 0.00 34.95 29.47 2a74 s ARG 812 CO 0.10 -1.96 0.15 -0.51 -0.68 0.00 0.00 175.30 172.40 2a74 s LEU 813 N 4.06 4.21 0.80 2.53 1.43 -1.26 -3.81 118.68 126.64 2a74 s LEU 813 Ca 0.35 0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 53.59 2a74 s LEU 813 Cb -0.06 -2.59 0.08 0.00 0.03 0.00 0.00 46.19 43.64 2a74 s LEU 813 CO -0.02 0.24 1.09 -2.16 0.23 0.00 0.00 176.35 175.73 2a74 s PRO 814 N -2.04 1.99 0.11 1.29 0.04 -1.26 -4.95 135.00 130.19 2a74 s PRO 814 Ca 0.28 1.12 -0.23 0.00 0.04 0.00 0.00 61.00 62.21 2a74 s PRO 814 Cb -0.13 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 2a74 s PRO 814 CO 0.20 -1.82 1.69 -0.92 0.04 0.00 0.00 177.00 176.19 2a74 h TYR 815 N -1.25 -0.30 -3.95 0.56 3.20 -1.97 -3.44 116.97 109.81 2a74 h TYR 815 Ca -0.45 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.32 2a74 h TYR 815 Cb 1.24 0.14 -0.16 0.00 1.54 0.00 0.00 36.73 39.49 2a74 h TYR 815 CO 0.55 -0.18 -0.53 -1.54 -1.64 0.00 0.00 178.16 174.81 2a74 s SER 816 N -5.03 0.26 0.12 -2.11 1.04 -1.26 -2.68 113.70 104.05 2a74 s SER 816 Ca -0.14 -0.72 0.02 0.00 0.48 0.00 0.00 55.95 55.59 2a74 s SER 816 Cb 0.08 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 2a74 s SER 816 CO 0.67 -0.60 -0.05 0.68 0.98 0.00 0.00 173.24 174.91 2a74 s VAL 817 N -3.40 0.75 -0.04 5.02 -7.23 -0.53 -4.95 120.40 110.01 2a74 s VAL 817 Ca 0.02 -1.96 -0.13 0.00 -1.81 0.00 0.00 61.98 58.09 2a74 s VAL 817 Cb 0.04 -1.82 -0.05 0.00 0.56 0.00 0.00 36.38 35.10 2a74 s VAL 817 CO -0.08 -0.75 0.34 -0.69 -0.31 0.00 0.00 175.10 173.61 2a74 s VAL 818 N -3.60 5.16 0.24 1.32 1.01 -1.26 -1.50 120.40 121.78 2a74 s VAL 818 Ca 0.16 0.68 -0.31 0.00 0.00 0.00 0.00 61.98 62.50 2a74 s VAL 818 Cb 0.05 -3.64 -0.12 0.00 0.00 0.00 0.00 36.38 32.68 2a74 s VAL 818 CO -0.02 0.57 1.67 -0.60 0.00 0.00 0.00 175.10 176.72 2a74 s ARG 819 N -0.93 4.12 0.00 2.72 3.52 0.44 -2.14 118.95 126.68 2a74 s ARG 819 Ca 0.21 2.60 0.00 0.00 -0.13 0.00 0.00 55.73 58.41 2a74 s ARG 819 Cb -0.15 -3.05 0.00 0.00 -1.56 0.00 0.00 34.95 30.18 2a74 s ARG 819 CO 0.11 -0.70 0.00 0.09 -0.81 0.00 0.00 175.30 173.98 2a74 n ASN 820 N 3.21 -0.21 -4.62 -2.12 3.02 0.80 -4.52 115.26 110.82 2a74 n ASN 820 Ca 0.13 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.31 2a74 n ASN 820 Cb 0.36 -0.58 -0.10 0.00 -0.61 0.00 0.00 39.78 38.85 2a74 n ASN 820 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2a74 s GLU 821 N -0.23 3.98 0.21 3.52 2.02 -0.91 -4.96 118.70 122.33 2a74 s GLU 821 Ca 0.00 -0.32 -0.30 0.00 0.02 0.00 0.00 54.97 54.38 2a74 s GLU 821 Cb 0.00 -3.48 -0.08 0.00 0.10 0.00 0.00 34.13 30.66 2a74 s GLU 821 CO 0.00 0.02 1.12 -1.14 0.02 0.00 0.00 175.26 175.27 2a74 s GLN 822 N 1.16 4.59 0.05 1.61 0.74 -1.26 -4.37 119.66 122.17 2a74 s GLN 822 Ca 0.07 1.77 -0.02 0.00 0.05 0.00 0.00 55.36 57.23 2a74 s GLN 822 Cb -0.14 -3.24 -0.03 0.00 1.10 0.00 0.00 33.01 30.70 2a74 s GLN 822 CO 0.05 0.09 -0.00 0.14 -0.55 0.00 0.00 175.29 175.01 2a74 s VAL 823 N -0.49 0.19 -0.14 1.34 -7.23 -0.38 -5.00 120.40 108.69 2a74 s VAL 823 Ca 0.48 -1.54 -0.04 0.00 -1.81 0.00 0.00 61.98 59.07 2a74 s VAL 823 Cb -0.31 -1.23 -0.03 0.00 0.56 0.00 0.00 36.38 35.37 2a74 s VAL 823 CO 0.37 -0.85 -0.02 -0.70 -0.31 0.00 0.00 175.10 173.59 2a74 s GLU 824 N -3.36 3.56 0.28 4.82 2.12 -1.26 -1.57 118.70 123.29 2a74 s GLU 824 Ca 0.02 -0.47 0.10 0.00 0.36 0.00 0.00 54.97 54.98 2a74 s GLU 824 Cb 0.04 -2.92 -0.05 0.00 0.26 0.00 0.00 34.13 31.46 2a74 s GLU 824 CO -0.08 0.35 -0.06 0.96 -0.54 0.00 0.00 175.26 175.90 2a74 s ILE 825 N 0.08 3.09 -0.12 -3.70 -4.36 -0.76 -4.97 121.20 110.46 2a74 s ILE 825 Ca 0.01 -2.06 0.03 0.00 -0.26 0.00 0.00 60.65 58.37 2a74 s ILE 825 Cb -0.13 -2.69 0.00 0.00 1.25 0.00 0.00 42.46 40.89 2a74 s ILE 825 CO 0.02 -0.36 -0.22 -0.13 0.24 0.00 0.00 174.94 174.49 2a74 s ARG 826 N -3.63 3.07 -0.33 0.37 1.81 -1.25 -0.93 118.95 118.06 2a74 s ARG 826 Ca 0.31 -0.85 -0.16 0.00 -1.72 0.00 0.00 55.73 53.32 2a74 s ARG 826 Cb -0.05 -2.39 -0.02 0.00 -0.45 0.00 0.00 34.95 32.04 2a74 s ARG 826 CO 0.19 0.10 0.40 0.00 -0.68 0.00 0.00 175.30 175.30 2a74 s ALA 827 N 0.55 3.51 -0.23 2.13 0.00 0.33 -1.71 121.76 126.34 2a74 s ALA 827 Ca -0.13 -1.08 -0.14 0.00 0.00 0.00 0.00 51.96 50.61 2a74 s ALA 827 Cb -0.17 -2.84 -0.04 0.00 0.00 0.00 0.00 23.12 20.07 2a74 s ALA 827 CO 0.04 -1.01 0.34 0.08 0.00 0.00 0.00 175.76 175.21 2a74 s VAL 828 N 2.11 5.23 -0.31 0.00 1.01 0.71 -0.21 120.40 128.93 2a74 s VAL 828 Ca 0.14 0.55 -0.11 0.00 0.00 0.00 0.00 61.98 62.56 2a74 s VAL 828 Cb -0.16 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 2a74 s VAL 828 CO 0.12 0.24 0.19 -0.76 0.00 0.00 0.00 175.10 174.89 2a74 s LEU 829 N 1.50 4.22 -0.17 3.92 1.43 0.47 0.31 118.68 130.36 2a74 s LEU 829 Ca 0.15 -0.38 -0.08 0.00 -1.03 0.00 0.00 54.13 52.79 2a74 s LEU 829 Cb -0.15 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 2a74 s LEU 829 CO 0.08 -0.18 0.12 -0.31 0.23 0.00 0.00 176.35 176.29 2a74 s TYR 830 N 1.68 3.44 -0.34 0.29 2.02 0.45 -1.26 117.35 123.62 2a74 s TYR 830 Ca 0.06 0.35 0.04 0.00 -0.37 0.00 0.00 57.07 57.14 2a74 s TYR 830 Cb -0.17 -2.06 0.10 0.00 -0.40 0.00 0.00 41.96 39.43 2a74 s TYR 830 CO 0.09 0.42 0.06 1.21 -1.57 0.00 0.00 175.55 175.76 2a74 s ASN 831 N -0.14 4.71 0.00 2.29 2.47 -0.13 -2.77 114.94 121.37 2a74 s ASN 831 Ca 0.10 -2.16 0.17 0.00 0.42 0.00 0.00 52.86 51.39 2a74 s ASN 831 Cb -0.12 -1.58 -0.09 0.00 -1.45 0.00 0.00 41.25 38.01 2a74 s ASN 831 CO 0.00 -0.38 0.79 -1.22 -3.72 0.00 0.00 177.10 172.58 2a74 n TYR 832 N 4.25 0.00 -1.51 0.43 4.01 0.63 -2.34 117.16 122.63 2a74 n TYR 832 Ca 0.04 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.51 2a74 n TYR 832 Cb 0.42 0.00 -0.19 0.00 -0.31 0.00 0.00 39.34 39.26 2a74 n TYR 832 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2a74 n ARG 833 N -0.75 0.07 0.00 -0.72 5.12 -0.97 -4.70 116.66 114.72 2a74 n ARG 833 Ca 0.05 -0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 2a74 n ARG 833 Cb 0.31 -1.41 0.00 0.00 -1.16 0.00 0.00 32.46 30.20 2a74 n ARG 833 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2a74 n GLN 834 N 6.66 0.00 -2.79 5.56 1.13 -1.26 -2.44 117.38 124.24 2a74 n GLN 834 Ca 0.65 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 55.37 2a74 n GLN 834 Cb 0.14 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.48 2a74 n GLN 834 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2a74 n ASN 835 N 0.00 5.90 -3.75 1.08 5.15 -1.26 -3.81 115.26 118.57 2a74 n ASN 835 Ca 0.00 -3.69 -0.13 0.00 -0.60 0.00 0.00 54.58 50.16 2a74 n ASN 835 Cb 0.00 -0.86 -0.14 0.00 -0.53 0.00 0.00 39.78 38.26 2a74 n ASN 835 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2a74 s GLN 836 N -3.90 0.15 0.69 1.20 -2.07 -1.02 -4.99 119.66 109.72 2a74 s GLN 836 Ca 0.44 0.41 -0.13 0.00 -1.82 0.00 0.00 55.36 54.27 2a74 s GLN 836 Cb 0.24 -0.13 0.01 0.00 -1.09 0.00 0.00 33.01 32.04 2a74 s GLN 836 CO -0.14 -0.15 1.08 -1.83 -1.32 0.00 0.00 175.29 172.93 2a74 s GLU 837 N 1.08 2.78 -0.01 9.60 -1.05 -1.26 -4.69 118.70 125.16 2a74 s GLU 837 Ca -0.08 1.17 0.05 0.00 -0.15 0.00 0.00 54.97 55.96 2a74 s GLU 837 Cb -0.10 -1.96 -0.01 0.00 -0.44 0.00 0.00 34.13 31.61 2a74 s GLU 837 CO -0.06 -1.24 -0.17 -0.51 0.95 0.00 0.00 175.26 174.23 2a74 s LEU 838 N -5.29 2.05 -0.17 1.83 1.43 -1.00 -4.95 118.68 112.58 2a74 s LEU 838 Ca 0.62 -0.33 -0.18 0.00 -1.03 0.00 0.00 54.13 53.22 2a74 s LEU 838 Cb -0.17 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.16 2a74 s LEU 838 CO 0.48 0.19 0.47 -0.75 0.23 0.00 0.00 176.35 176.98 2a74 s LYS 839 N -0.49 4.25 0.08 1.70 2.20 -1.26 0.34 119.74 126.56 2a74 s LYS 839 Ca 0.06 0.37 0.03 0.00 -0.36 0.00 0.00 55.97 56.07 2a74 s LYS 839 Cb -0.07 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.72 2a74 s LYS 839 CO -0.00 0.01 -0.09 0.54 -0.36 0.00 0.00 175.35 175.44 2a74 s VAL 840 N 1.12 0.83 -0.23 4.02 0.11 0.38 -1.28 120.40 125.36 2a74 s VAL 840 Ca 0.23 -1.56 -0.04 0.00 -2.93 0.00 0.00 61.98 57.69 2a74 s VAL 840 Cb -0.15 -1.24 -0.00 0.00 -1.53 0.00 0.00 36.38 33.45 2a74 s VAL 840 CO 0.09 -0.56 -0.04 -0.60 -3.33 0.00 0.00 175.10 170.67 2a74 s ARG 841 N -2.66 3.27 0.07 1.54 3.52 0.57 -1.19 118.95 124.08 2a74 s ARG 841 Ca 0.03 -0.69 -0.03 0.00 -0.13 0.00 0.00 55.73 54.90 2a74 s ARG 841 Cb -0.03 -3.02 -0.05 0.00 -1.56 0.00 0.00 34.95 30.29 2a74 s ARG 841 CO -0.01 -0.24 0.28 0.08 -0.81 0.00 0.00 175.30 174.60 2a74 s VAL 842 N 1.46 5.30 -0.06 7.11 1.01 0.06 -2.07 120.40 133.19 2a74 s VAL 842 Ca 0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 2a74 s VAL 842 Cb -0.15 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.65 2a74 s VAL 842 CO -0.03 0.16 0.14 -0.70 0.00 0.00 0.00 175.10 174.67 2a74 s GLU 843 N -2.37 0.11 -0.16 2.72 2.12 0.21 -1.11 118.70 120.22 2a74 s GLU 843 Ca 0.35 0.32 -0.19 0.00 0.36 0.00 0.00 54.97 55.81 2a74 s GLU 843 Cb -0.13 -0.11 -0.03 0.00 0.26 0.00 0.00 34.13 34.12 2a74 s GLU 843 CO 0.24 -0.12 0.55 -1.17 -0.54 0.00 0.00 175.26 174.21 2a74 s LEU 844 N 0.87 4.20 0.46 2.70 2.96 -0.98 -1.30 118.68 127.58 2a74 s LEU 844 Ca -0.07 0.80 -0.20 0.00 -0.22 0.00 0.00 54.13 54.45 2a74 s LEU 844 Cb -0.09 -2.79 -0.10 0.00 0.50 0.00 0.00 46.19 43.72 2a74 s LEU 844 CO -0.04 -0.14 0.97 -0.76 -1.32 0.00 0.00 176.35 175.05 2a74 s LEU 845 N 1.33 3.85 0.25 -0.68 1.02 -0.70 -4.24 118.68 119.51 2a74 s LEU 845 Ca 0.27 1.70 -0.30 0.00 0.02 0.00 0.00 54.13 55.82 2a74 s LEU 845 Cb -0.16 -4.54 -0.09 0.00 0.02 0.00 0.00 46.19 41.43 2a74 s LEU 845 CO 0.11 -0.48 1.08 -2.28 0.02 0.00 0.00 176.35 174.81 2a74 s HIS 846 N -2.25 3.63 -0.05 0.29 5.65 -1.26 -4.75 115.29 116.54 2a74 s HIS 846 Ca 0.62 1.69 -0.02 0.00 0.25 0.00 0.00 55.06 57.61 2a74 s HIS 846 Cb -0.10 -3.25 0.03 0.00 -1.18 0.00 0.00 32.58 28.08 2a74 s HIS 846 CO 0.18 -0.46 0.08 1.21 -0.65 0.00 0.00 174.74 175.10 2a74 s ASN 847 N -0.71 0.85 0.62 9.88 3.84 -1.26 -5.02 114.94 123.14 2a74 s ASN 847 Ca 0.45 0.13 0.29 0.00 0.21 0.00 0.00 52.86 53.94 2a74 s ASN 847 Cb -0.31 -0.04 1.55 0.00 -0.55 0.00 0.00 41.25 41.90 2a74 s ASN 847 CO 0.38 -0.23 1.92 -0.65 -2.79 0.00 0.00 177.10 175.74 2a74 h PRO 848 N 8.20 0.00 0.00 0.43 0.11 -1.97 0.10 132.00 138.87 2a74 h PRO 848 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2a74 h PRO 848 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2a74 h PRO 848 CO 0.21 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.00 2a74 n ALA 849 N -2.17 2.49 -2.83 -0.75 0.00 -1.26 -4.80 120.51 111.18 2a74 n ALA 849 Ca 0.04 -0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.18 2a74 n ALA 849 Cb 0.53 -1.44 -0.14 0.00 0.00 0.00 0.00 19.45 18.40 2a74 n ALA 849 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2a74 s PHE 850 N -2.09 0.31 -0.22 0.00 0.08 0.02 -0.46 117.98 115.62 2a74 s PHE 850 Ca 0.39 -0.16 -0.13 0.00 0.12 0.00 0.00 56.93 57.15 2a74 s PHE 850 Cb 0.19 -0.20 -0.05 0.00 -0.57 0.00 0.00 43.02 42.39 2a74 s PHE 850 CO 0.33 -0.03 0.25 0.00 -0.10 0.00 0.00 175.22 175.67 2a74 n SER 852 N 4.33 0.00 0.08 0.00 3.41 -1.26 -0.82 113.62 119.36 2a74 n SER 852 Ca -0.12 -0.90 0.12 0.00 -0.26 0.00 0.00 58.87 57.70 2a74 n SER 852 Cb 0.52 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.64 2a74 n SER 852 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2a74 h LEU 853 N 0.00 0.00 -9.41 1.04 3.38 -1.97 -3.45 115.31 104.90 2a74 h LEU 853 Ca 0.00 -0.15 -0.54 0.00 0.09 0.00 0.00 57.88 57.28 2a74 h LEU 853 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2a74 h LEU 853 CO 0.00 0.08 0.57 0.00 0.09 0.00 0.00 178.44 179.18 2a74 s ALA 854 N -3.19 3.38 0.49 1.53 0.00 -1.26 -4.71 121.76 118.00 2a74 s ALA 854 Ca 0.06 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.75 2a74 s ALA 854 Cb 0.12 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 2a74 s ALA 854 CO 0.71 -0.50 0.04 0.95 0.00 0.00 0.00 175.76 176.96 2a74 s THR 855 N 1.43 0.97 0.43 0.00 -4.23 0.20 -4.73 115.64 109.69 2a74 s THR 855 Ca 0.56 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.21 2a74 s THR 855 Cb -0.26 -2.17 0.33 0.00 1.34 0.00 0.00 72.50 71.73 2a74 s THR 855 CO 0.27 0.00 1.97 0.74 -0.54 0.00 0.00 174.62 177.05 2a74 h THR 856 N 1.45 0.88 0.00 3.99 2.02 -1.97 -3.00 112.91 116.29 2a74 h THR 856 Ca -0.41 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 2a74 h THR 856 Cb 1.31 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 68.09 2a74 h THR 856 CO 0.69 0.08 -0.35 0.29 0.37 0.00 0.00 175.52 176.60 2a74 n LYS 857 N -4.47 0.76 -3.57 6.66 5.02 -1.26 -4.99 118.16 116.31 2a74 n LYS 857 Ca 0.11 -2.09 -0.17 0.00 -2.02 0.00 0.00 58.31 54.14 2a74 n LYS 857 Cb 0.39 -1.02 -0.14 0.00 -0.02 0.00 0.00 35.03 34.25 2a74 n LYS 857 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2a74 s ARG 858 N -1.66 0.15 0.68 1.97 3.52 -1.13 -5.15 118.95 117.33 2a74 s ARG 858 Ca 0.22 0.40 -0.11 0.00 -0.13 0.00 0.00 55.73 56.12 2a74 s ARG 858 Cb 0.21 -0.74 -0.00 0.00 -1.56 0.00 0.00 34.95 32.86 2a74 s ARG 858 CO -0.02 -0.50 1.06 1.03 -0.81 0.00 0.00 175.30 176.07 2a74 s ARG 859 N 2.34 3.05 -0.40 5.12 0.52 -1.26 -0.63 118.95 127.69 2a74 s ARG 859 Ca 0.05 0.71 0.03 0.00 -0.52 0.00 0.00 55.73 56.00 2a74 s ARG 859 Cb -0.14 -2.02 0.11 0.00 0.52 0.00 0.00 34.95 33.42 2a74 s ARG 859 CO -0.10 -0.96 0.13 -1.58 0.02 0.00 0.00 175.30 172.82 2a74 s HIS 860 N -3.19 3.19 -0.01 -0.53 5.65 -1.26 -4.79 115.29 114.35 2a74 s HIS 860 Ca 0.57 -2.85 0.01 0.00 0.25 0.00 0.00 55.06 53.05 2a74 s HIS 860 Cb -0.12 -2.66 0.00 0.00 -1.18 0.00 0.00 32.58 28.62 2a74 s HIS 860 CO 0.54 -0.87 -0.05 1.14 -0.65 0.00 0.00 174.74 174.85 2a74 s GLN 861 N 0.59 0.45 -0.00 2.88 -2.07 -1.26 -2.31 119.66 117.94 2a74 s GLN 861 Ca 0.13 -0.16 0.07 0.00 -1.82 0.00 0.00 55.36 53.59 2a74 s GLN 861 Cb -0.21 -0.45 -0.03 0.00 -1.09 0.00 0.00 33.01 31.23 2a74 s GLN 861 CO -0.07 0.07 -0.22 -0.65 -1.32 0.00 0.00 175.29 173.11 2a74 s GLN 862 N 0.07 2.12 -0.25 9.60 1.11 -0.26 -4.97 119.66 127.08 2a74 s GLN 862 Ca -0.00 -0.93 -0.07 0.00 0.01 0.00 0.00 55.36 54.37 2a74 s GLN 862 Cb -0.04 -2.13 -0.02 0.00 -1.01 0.00 0.00 33.01 29.81 2a74 s GLN 862 CO -0.00 0.56 0.05 0.99 0.01 0.00 0.00 175.29 176.89 2a74 s THR 863 N -0.74 4.06 0.24 -0.19 2.01 -1.26 -0.76 115.64 119.00 2a74 s THR 863 Ca 0.12 -0.31 0.07 0.00 0.31 0.00 0.00 61.69 61.88 2a74 s THR 863 Cb -0.10 -2.92 -0.05 0.00 0.01 0.00 0.00 72.50 69.44 2a74 s THR 863 CO 0.01 0.33 -0.10 0.68 -0.69 0.00 0.00 174.62 174.85 2a74 s VAL 864 N 1.57 1.68 -0.03 3.82 -7.23 -0.34 -4.96 120.40 114.92 2a74 s VAL 864 Ca 0.06 -2.17 0.06 0.00 -1.81 0.00 0.00 61.98 58.13 2a74 s VAL 864 Cb -0.15 -2.26 -0.02 0.00 0.56 0.00 0.00 36.38 34.50 2a74 s VAL 864 CO 0.02 -0.44 -0.22 0.42 -0.31 0.00 0.00 175.10 174.58 2a74 s THR 865 N -3.00 2.44 -0.27 5.32 -4.23 -1.26 -0.47 115.64 114.18 2a74 s THR 865 Ca 0.26 -0.99 -0.06 0.00 -1.18 0.00 0.00 61.69 59.73 2a74 s THR 865 Cb 0.02 -1.90 0.00 0.00 1.34 0.00 0.00 72.50 71.96 2a74 s THR 865 CO 0.10 0.57 0.03 -0.63 -0.54 0.00 0.00 174.62 174.15 2a74 s ILE 866 N -0.67 3.74 0.66 2.99 1.01 0.15 -4.96 121.20 124.12 2a74 s ILE 866 Ca 0.11 -0.62 -0.17 0.00 0.00 0.00 0.00 60.65 59.97 2a74 s ILE 866 Cb -0.10 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.51 2a74 s ILE 866 CO -0.00 0.21 1.16 -0.81 0.00 0.00 0.00 174.94 175.50 2a74 n PRO 867 N 4.83 0.91 -1.65 2.79 -0.04 -1.26 -2.38 135.00 138.20 2a74 n PRO 867 Ca -0.16 0.37 -0.44 0.00 -0.04 0.00 0.00 63.50 63.23 2a74 n PRO 867 Cb 0.49 -2.40 -0.02 0.00 -0.04 0.00 0.00 33.50 31.54 2a74 n PRO 867 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2a74 n PRO 868 N -1.78 1.80 -1.77 0.54 -0.04 -1.26 -2.25 135.00 130.24 2a74 n PRO 868 Ca 0.15 0.63 -0.20 0.00 -0.04 0.00 0.00 63.50 64.04 2a74 n PRO 868 Cb 0.48 -2.16 -0.07 0.00 -0.04 0.00 0.00 33.50 31.71 2a74 n PRO 868 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2a74 n LYS 869 N 1.04 -1.46 -2.54 0.54 5.02 -0.99 -4.95 118.16 114.82 2a74 n LYS 869 Ca 0.09 1.16 -0.06 0.00 -2.02 0.00 0.00 58.31 57.47 2a74 n LYS 869 Cb 0.33 -5.58 -0.02 0.00 -0.02 0.00 0.00 35.03 29.74 2a74 n LYS 869 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2a74 n SER 870 N -1.41 1.54 -4.12 4.39 3.41 -0.95 -4.93 113.62 111.56 2a74 n SER 870 Ca -0.21 -1.47 -0.08 0.00 -0.26 0.00 0.00 58.87 56.84 2a74 n SER 870 Cb 0.67 0.16 -0.10 0.00 -0.26 0.00 0.00 64.21 64.68 2a74 n SER 870 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2a74 s SER 871 N -1.57 0.73 -0.06 4.04 1.04 -1.26 -0.96 113.70 115.66 2a74 s SER 871 Ca 0.03 -0.98 -0.01 0.00 0.48 0.00 0.00 55.95 55.46 2a74 s SER 871 Cb 0.00 0.16 0.03 0.00 0.10 0.00 0.00 66.02 66.30 2a74 s SER 871 CO 0.02 -0.54 0.00 -0.22 0.98 0.00 0.00 173.24 173.48 2a74 s LEU 872 N -2.91 0.70 -0.26 2.42 2.96 -0.39 -4.95 118.68 116.25 2a74 s LEU 872 Ca 0.08 -0.06 -0.26 0.00 -0.22 0.00 0.00 54.13 53.66 2a74 s LEU 872 Cb 0.06 -0.38 0.00 0.00 0.50 0.00 0.00 46.19 46.38 2a74 s LEU 872 CO -0.08 -0.17 0.92 -0.44 -1.32 0.00 0.00 176.35 175.26 2a74 s SER 873 N 1.75 6.89 -0.26 3.68 0.01 -1.26 -0.40 113.70 124.11 2a74 s SER 873 Ca 0.01 1.06 -0.16 0.00 1.31 0.00 0.00 55.95 58.18 2a74 s SER 873 Cb -0.13 -2.47 -0.03 0.00 0.21 0.00 0.00 66.02 63.60 2a74 s SER 873 CO -0.04 -0.63 0.42 -0.69 0.41 0.00 0.00 173.24 172.71 2a74 s VAL 874 N 3.08 5.14 -0.01 3.43 1.01 0.71 -4.94 120.40 128.82 2a74 s VAL 874 Ca 0.38 0.70 -0.21 0.00 0.00 0.00 0.00 61.98 62.84 2a74 s VAL 874 Cb -0.15 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 2a74 s VAL 874 CO 0.09 0.15 0.63 -2.16 0.00 0.00 0.00 175.10 173.81 2a74 s PRO 875 N 2.03 4.36 -0.12 2.72 0.04 -1.26 -0.51 135.00 142.25 2a74 s PRO 875 Ca 0.18 0.80 0.02 0.00 0.04 0.00 0.00 61.00 62.03 2a74 s PRO 875 Cb -0.16 -3.36 -0.00 0.00 0.04 0.00 0.00 34.50 31.02 2a74 s PRO 875 CO 0.09 0.32 -0.19 0.71 0.04 0.00 0.00 177.00 177.97 2a74 s TYR 876 N -0.04 2.68 -0.13 0.56 2.02 -0.11 -4.98 117.35 117.35 2a74 s TYR 876 Ca 0.33 -1.00 -0.13 0.00 -0.37 0.00 0.00 57.07 55.90 2a74 s TYR 876 Cb -0.18 -1.79 -0.05 0.00 -0.40 0.00 0.00 41.96 39.54 2a74 s TYR 876 CO 0.18 -0.41 0.30 0.14 -1.57 0.00 0.00 175.55 174.19 2a74 s VAL 877 N 0.51 5.28 -0.05 0.71 -7.23 -1.26 -1.83 120.40 116.53 2a74 s VAL 877 Ca -0.13 0.56 -0.08 0.00 -1.81 0.00 0.00 61.98 60.53 2a74 s VAL 877 Cb -0.17 -3.62 0.02 0.00 0.56 0.00 0.00 36.38 33.17 2a74 s VAL 877 CO 0.05 0.45 0.20 -0.51 -0.31 0.00 0.00 175.10 174.98 2a74 s ILE 878 N 0.03 0.03 -0.23 -0.62 2.07 -0.61 -4.56 121.20 117.31 2a74 s ILE 878 Ca 0.18 -0.26 0.01 0.00 -1.41 0.00 0.00 60.65 59.17 2a74 s ILE 878 Cb -0.13 -0.38 0.06 0.00 0.13 0.00 0.00 42.46 42.13 2a74 s ILE 878 CO 0.06 -0.14 -0.06 -0.69 -1.91 0.00 0.00 174.94 172.19 2a74 s VAL 879 N -0.49 1.59 0.14 4.00 1.01 0.00 -1.25 120.40 125.41 2a74 s VAL 879 Ca -0.06 -1.23 -0.31 0.00 0.00 0.00 0.00 61.98 60.38 2a74 s VAL 879 Cb -0.04 -1.82 -0.10 0.00 0.00 0.00 0.00 36.38 34.42 2a74 s VAL 879 CO 0.01 -0.06 1.63 -2.16 0.00 0.00 0.00 175.10 174.52 2a74 s PRO 880 N 1.37 4.19 -0.01 2.72 0.04 -1.26 -0.28 135.00 141.78 2a74 s PRO 880 Ca -0.06 2.40 0.13 0.00 0.04 0.00 0.00 61.00 63.51 2a74 s PRO 880 Cb -0.19 -3.29 -0.17 0.00 0.04 0.00 0.00 34.50 30.89 2a74 s PRO 880 CO -0.06 -0.68 0.40 1.28 0.04 0.00 0.00 177.00 177.98 2a74 n LEU 881 N 4.52 0.27 -4.03 -3.56 4.77 0.39 -0.14 117.00 119.23 2a74 n LEU 881 Ca 0.15 -0.23 -0.21 0.00 -0.03 0.00 0.00 56.01 55.69 2a74 n LEU 881 Cb 0.39 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.32 2a74 n LEU 881 CO 0.62 0.07 -0.45 -0.54 -1.33 0.00 0.00 177.39 175.77 2a74 s LYS 882 N -2.56 1.00 0.97 3.23 1.02 -1.23 -4.85 119.74 117.31 2a74 s LYS 882 Ca -0.00 -0.35 -0.14 0.00 0.02 0.00 0.00 55.97 55.50 2a74 s LYS 882 Cb 0.09 -0.93 0.17 0.00 -0.52 0.00 0.00 37.83 36.64 2a74 s LYS 882 CO 0.52 0.16 1.15 0.95 -0.92 0.00 0.00 175.35 177.21 2a74 s THR 883 N 0.04 1.94 0.00 2.17 -4.23 -1.26 -4.74 115.64 109.56 2a74 s THR 883 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 2a74 s THR 883 Cb -0.07 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 71.05 2a74 s THR 883 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 2a74 n GLY 884 N -2.12 -3.24 3.59 3.99 0.00 -0.31 -4.81 105.19 102.29 2a74 n GLY 884 Ca 0.08 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 2a74 n GLY 884 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2a74 s LEU 885 N 0.00 3.44 0.24 0.99 2.96 -1.26 -1.56 118.68 123.50 2a74 s LEU 885 Ca 0.00 1.41 0.11 0.00 -0.22 0.00 0.00 54.13 55.43 2a74 s LEU 885 Cb 0.00 -3.28 -0.05 0.00 0.50 0.00 0.00 46.19 43.36 2a74 s LEU 885 CO 0.00 -2.03 -0.17 -1.10 -1.32 0.00 0.00 176.35 171.73 2a74 s GLN 886 N 6.42 1.78 -0.06 1.98 -1.52 -0.62 -4.94 119.66 122.70 2a74 s GLN 886 Ca 0.89 -1.60 0.04 0.00 -1.95 0.00 0.00 55.36 52.75 2a74 s GLN 886 Cb -0.25 -1.89 -0.02 0.00 -0.22 0.00 0.00 33.01 30.63 2a74 s GLN 886 CO 0.32 0.36 -0.19 -2.00 -0.25 0.00 0.00 175.29 173.53 2a74 s GLU 887 N -3.25 2.59 -0.11 2.91 2.12 -1.26 -0.91 118.70 120.78 2a74 s GLU 887 Ca 0.27 -0.79 0.02 0.00 0.36 0.00 0.00 54.97 54.83 2a74 s GLU 887 Cb -0.06 -2.30 -0.01 0.00 0.26 0.00 0.00 34.13 32.01 2a74 s GLU 887 CO 0.14 0.48 -0.18 0.08 -0.54 0.00 0.00 175.26 175.25 2a74 s VAL 888 N -0.39 2.62 -0.05 3.70 1.01 -0.75 -4.96 120.40 121.58 2a74 s VAL 888 Ca 0.04 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.23 2a74 s VAL 888 Cb -0.12 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.20 2a74 s VAL 888 CO 0.02 0.54 -0.14 -0.70 0.00 0.00 0.00 175.10 174.82 2a74 s GLU 889 N 0.31 1.69 -0.02 2.72 2.12 -1.26 -2.27 118.70 121.99 2a74 s GLU 889 Ca -0.14 -0.50 0.02 0.00 0.36 0.00 0.00 54.97 54.72 2a74 s GLU 889 Cb -0.17 -1.43 0.00 0.00 0.26 0.00 0.00 34.13 32.80 2a74 s GLU 889 CO 0.07 0.13 -0.06 0.08 -0.54 0.00 0.00 175.26 174.94 2a74 s VAL 890 N 0.33 0.56 0.13 3.70 1.01 -0.65 -1.72 120.40 123.76 2a74 s VAL 890 Ca -0.09 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.68 2a74 s VAL 890 Cb -0.13 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 2a74 s VAL 890 CO 0.03 0.18 -0.10 -0.54 0.00 0.00 0.00 175.10 174.67 2a74 s LYS 891 N 0.15 0.97 -0.24 2.72 1.02 -0.42 -1.23 119.74 122.70 2a74 s LYS 891 Ca -0.02 -1.34 -0.18 0.00 0.02 0.00 0.00 55.97 54.46 2a74 s LYS 891 Cb -0.06 -0.56 0.07 0.00 -0.52 0.00 0.00 37.83 36.75 2a74 s LYS 891 CO -0.00 0.07 0.61 0.00 -0.92 0.00 0.00 175.35 175.11 2a74 s ALA 892 N -3.05 -1.58 0.05 5.17 0.00 0.44 -0.62 121.76 122.17 2a74 s ALA 892 Ca 0.12 1.96 0.05 0.00 0.00 0.00 0.00 51.96 54.10 2a74 s ALA 892 Cb 0.01 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 21.95 2a74 s ALA 892 CO -0.00 -0.32 -0.15 0.00 0.00 0.00 0.00 175.76 175.29 2a74 s ALA 893 N 0.98 1.25 0.06 0.00 0.00 -0.88 -0.83 121.76 122.34 2a74 s ALA 893 Ca -0.05 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 2a74 s ALA 893 Cb -0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 2a74 s ALA 893 CO -0.09 0.22 0.23 0.14 0.00 0.00 0.00 175.76 176.26 2a74 s VAL 894 N -1.00 5.36 0.08 0.00 -7.23 -0.97 -0.31 120.40 116.33 2a74 s VAL 894 Ca 0.01 -0.28 -0.30 0.00 -1.81 0.00 0.00 61.98 59.60 2a74 s VAL 894 Cb -0.09 -3.61 -0.05 0.00 0.56 0.00 0.00 36.38 33.19 2a74 s VAL 894 CO 0.02 0.17 1.05 -0.31 -0.31 0.00 0.00 175.10 175.72 2a74 s TYR 895 N -1.49 3.63 0.00 2.82 1.51 -0.40 -3.86 117.35 119.56 2a74 s TYR 895 Ca 0.34 1.61 0.00 0.00 -1.01 0.00 0.00 57.07 58.01 2a74 s TYR 895 Cb -0.13 -3.21 0.00 0.00 -0.11 0.00 0.00 41.96 38.51 2a74 s TYR 895 CO 0.26 -0.39 0.00 0.72 -1.11 0.00 0.00 175.55 175.03 2a74 n HIS 896 N 3.31 0.00 -4.38 2.71 8.25 -0.56 -4.80 115.22 119.74 2a74 n HIS 896 Ca 0.05 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.27 2a74 n HIS 896 Cb 0.48 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.48 2a74 n HIS 896 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2a74 s HIS 897 N -2.21 2.07 -0.08 4.41 3.76 -1.25 -5.04 115.29 116.96 2a74 s HIS 897 Ca 0.00 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 2a74 s HIS 897 Cb 0.00 -1.02 0.08 0.00 1.11 0.00 0.00 32.58 32.75 2a74 s HIS 897 CO 0.00 0.44 1.56 0.34 -0.85 0.00 0.00 174.74 176.23 2a74 n PHE 898 N 0.20 0.45 -3.92 1.40 7.35 -1.26 -4.61 117.46 117.07 2a74 n PHE 898 Ca -0.12 -0.99 -0.36 0.00 -0.76 0.00 0.00 57.45 55.22 2a74 n PHE 898 Cb 0.57 -0.49 -0.07 0.00 0.35 0.00 0.00 39.48 39.84 2a74 n PHE 898 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 2a74 s ILE 899 N -0.57 5.28 0.19 -2.13 -1.09 -1.26 -5.07 121.20 116.54 2a74 s ILE 899 Ca 0.09 0.13 -0.13 0.00 -2.23 0.00 0.00 60.65 58.50 2a74 s ILE 899 Cb 0.07 -3.32 0.01 0.00 -1.58 0.00 0.00 42.46 37.64 2a74 s ILE 899 CO 0.01 0.57 0.41 -0.94 -1.23 0.00 0.00 174.94 173.76 2a74 s SER 900 N -0.60 -0.10 -0.01 3.58 1.04 -1.26 -2.29 113.70 114.06 2a74 s SER 900 Ca 0.12 -0.72 -0.15 0.00 0.48 0.00 0.00 55.95 55.69 2a74 s SER 900 Cb -0.12 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.54 2a74 s SER 900 CO 0.02 -1.00 0.31 -0.62 0.98 0.00 0.00 173.24 172.93 2a74 s ASP 901 N -2.94 -0.18 0.00 7.02 2.15 -0.01 -4.99 116.67 117.73 2a74 s ASP 901 Ca 0.15 0.05 -0.03 0.00 0.43 0.00 0.00 52.55 53.15 2a74 s ASP 901 Cb 0.01 0.31 -0.01 0.00 -0.30 0.00 0.00 42.92 42.94 2a74 s ASP 901 CO 0.00 -0.46 0.05 -0.83 -0.17 0.00 0.00 175.17 173.76 2a74 s GLY 902 N -1.41 0.10 -0.06 2.66 0.00 -1.26 -0.42 107.32 106.94 2a74 s GLY 902 Ca -0.13 -0.25 0.03 0.00 0.00 0.00 0.00 44.72 44.38 2a74 s GLY 902 CO 0.03 -0.33 -0.15 0.14 0.00 0.00 0.00 173.10 172.79 2a74 s VAL 903 N -1.07 1.34 -0.04 1.40 1.01 -0.36 0.26 120.40 122.93 2a74 s VAL 903 Ca -0.12 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.27 2a74 s VAL 903 Cb -0.07 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 35.14 2a74 s VAL 903 CO 0.00 0.39 -0.14 0.00 0.00 0.00 0.00 175.10 175.35 2a74 s ARG 904 N 0.32 1.60 0.16 2.72 1.70 -0.73 -1.63 118.95 123.09 2a74 s ARG 904 Ca -0.10 -0.51 -0.22 0.00 -0.47 0.00 0.00 55.73 54.44 2a74 s ARG 904 Cb -0.14 -1.39 0.06 0.00 -0.57 0.00 0.00 34.95 32.92 2a74 s ARG 904 CO 0.03 0.17 0.56 -1.59 -1.08 0.00 0.00 175.30 173.40 2a74 s LYS 905 N 0.20 1.25 0.26 3.89 -2.85 -0.96 -4.47 119.74 117.06 2a74 s LYS 905 Ca -0.06 -0.53 0.06 0.00 -1.00 0.00 0.00 55.97 54.45 2a74 s LYS 905 Cb -0.12 0.57 -0.03 0.00 -2.06 0.00 0.00 37.83 36.19 2a74 s LYS 905 CO 0.02 -0.54 0.26 -1.12 0.10 0.00 0.00 175.35 174.08 2a74 s SER 906 N -2.76 5.75 0.18 0.03 0.01 -1.26 -1.81 113.70 113.84 2a74 s SER 906 Ca 0.02 -0.18 0.01 0.00 1.31 0.00 0.00 55.95 57.11 2a74 s SER 906 Cb -0.01 -1.49 -0.05 0.00 0.21 0.00 0.00 66.02 64.69 2a74 s SER 906 CO -0.12 -0.09 0.04 -1.48 0.41 0.00 0.00 173.24 171.99 2a74 s LEU 907 N -3.91 1.90 -0.16 2.44 0.05 -0.09 -4.96 118.68 113.96 2a74 s LEU 907 Ca 0.34 -1.23 -0.20 0.00 0.05 0.00 0.00 54.13 53.09 2a74 s LEU 907 Cb -0.08 0.07 -0.03 0.00 -2.05 0.00 0.00 46.19 44.09 2a74 s LEU 907 CO 0.26 -0.65 0.59 -0.54 -0.55 0.00 0.00 176.35 175.46 2a74 s LYS 908 N -3.98 4.28 -0.28 1.48 1.02 -1.09 -1.58 119.74 119.59 2a74 s LYS 908 Ca 0.27 0.59 -0.11 0.00 0.02 0.00 0.00 55.97 56.75 2a74 s LYS 908 Cb 0.07 -3.52 -0.05 0.00 -0.52 0.00 0.00 37.83 33.81 2a74 s LYS 908 CO 0.06 -0.08 0.18 0.08 -0.92 0.00 0.00 175.35 174.67 2a74 s VAL 909 N 1.36 5.18 0.08 3.17 1.01 -0.60 -1.46 120.40 129.15 2a74 s VAL 909 Ca 0.29 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.42 2a74 s VAL 909 Cb -0.16 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 2a74 s VAL 909 CO 0.12 0.26 0.06 0.68 0.00 0.00 0.00 175.10 176.21 2a74 s VAL 910 N 1.74 4.42 0.61 2.92 -7.23 -0.56 -1.17 120.40 121.13 2a74 s VAL 910 Ca 0.07 -0.82 -0.18 0.00 -1.81 0.00 0.00 61.98 59.24 2a74 s VAL 910 Cb -0.16 -3.13 -0.03 0.00 0.56 0.00 0.00 36.38 33.63 2a74 s VAL 910 CO 0.10 0.12 1.21 -2.16 -0.31 0.00 0.00 175.10 174.06 2a74 s PRO 911 N -2.38 2.90 0.69 4.82 0.04 -1.26 -0.42 135.00 139.39 2a74 s PRO 911 Ca 0.29 1.81 -0.12 0.00 0.04 0.00 0.00 61.00 63.02 2a74 s PRO 911 Cb -0.12 -1.92 0.17 0.00 0.04 0.00 0.00 34.50 32.67 2a74 s PRO 911 CO 0.21 -1.26 0.72 -0.85 0.04 0.00 0.00 177.00 175.87 2a74 n GLU 912 N -1.70 -1.71 -0.77 4.56 0.28 -1.26 -4.74 120.64 115.29 2a74 n GLU 912 Ca 0.14 -1.14 0.00 0.00 -0.16 0.00 0.00 57.16 56.00 2a74 n GLU 912 Cb 0.50 -0.93 0.00 0.00 1.43 0.00 0.00 31.44 32.43 2a74 n GLU 912 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2a74 n GLY 913 N -1.29 6.29 0.22 -1.84 0.00 -1.26 -5.09 105.19 102.22 2a74 n GLY 913 Ca 0.10 -2.04 0.15 0.00 0.00 0.00 0.00 46.02 44.22 2a74 n GLY 913 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61