#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a3i s ALA 733 N 0.00 -2.76 0.31 2.89 0.00 -1.26 -5.14 121.76 115.81 2a3i s ALA 733 Ca 0.00 1.78 0.00 0.00 0.00 0.00 0.00 51.96 53.74 2a3i s ALA 733 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.89 2a3i s ALA 733 CO 0.00 -1.27 0.00 -0.11 0.00 0.00 0.00 175.76 174.38 2a3i n LEU 734 N 5.36 0.00 -3.07 0.00 0.00 -1.26 -4.71 117.00 113.33 2a3i n LEU 734 Ca -0.06 1.44 -0.16 0.00 0.00 0.00 0.00 56.01 57.23 2a3i n LEU 734 Cb 0.52 -4.09 -0.00 0.00 0.00 0.00 0.00 43.42 39.85 2a3i n LEU 734 CO -0.04 -2.66 -0.09 0.41 0.00 0.00 0.00 177.39 175.02 2a3i n THR 735 N -3.98 -0.16 -0.26 1.96 -1.04 -1.26 -5.13 114.28 104.42 2a3i n THR 735 Ca 0.01 -3.74 -0.09 0.00 -2.04 0.00 0.00 64.05 58.20 2a3i n THR 735 Cb 0.61 0.10 -0.00 0.00 -1.82 0.00 0.00 70.33 69.22 2a3i n THR 735 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2a3i n PRO 736 N 0.40 0.00 -4.25 -2.82 -0.02 -1.26 -5.01 135.00 122.04 2a3i n PRO 736 Ca 0.20 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.42 2a3i n PRO 736 Cb 0.66 -0.19 -0.08 0.00 -0.02 0.00 0.00 33.50 33.88 2a3i n PRO 736 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2a3i s SER 737 N -0.19 4.30 0.52 2.55 1.04 -1.26 -5.00 113.70 115.67 2a3i s SER 737 Ca 0.12 -1.17 0.32 0.00 0.48 0.00 0.00 55.95 55.69 2a3i s SER 737 Cb -0.16 -0.39 1.74 0.00 0.10 0.00 0.00 66.02 67.31 2a3i s SER 737 CO 0.11 -0.56 1.97 -0.65 0.98 0.00 0.00 173.24 175.09 2a3i h PRO 738 N 1.47 0.00 -0.78 4.02 0.11 -2.00 -2.82 132.00 132.00 2a3i h PRO 738 Ca -0.43 0.00 0.18 0.00 0.11 0.00 0.00 66.00 65.87 2a3i h PRO 738 Cb 1.25 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.24 2a3i h PRO 738 CO 0.72 0.00 0.12 -0.24 -0.21 0.00 0.00 178.00 178.39 2a3i h VAL 739 N 0.00 0.38 -0.66 3.15 3.04 -1.97 0.62 116.25 120.81 2a3i h VAL 739 Ca 0.00 -0.06 -0.06 0.00 -1.01 0.00 0.00 66.70 65.56 2a3i h VAL 739 Cb 0.15 0.19 -0.03 0.00 -2.01 0.00 0.00 31.29 29.59 2a3i h VAL 739 CO 0.00 0.03 0.16 -0.03 -1.01 0.00 0.00 177.57 176.73 2a3i h MET 740 N 0.18 1.05 -0.25 4.17 4.05 -1.92 -2.01 114.93 120.20 2a3i h MET 740 Ca 0.45 -0.25 -0.01 0.00 -0.28 0.00 0.00 59.70 59.61 2a3i h MET 740 Cb 0.82 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.47 2a3i h MET 740 CO -0.62 0.94 0.12 0.28 0.23 0.00 0.00 176.91 177.86 2a3i h VAL 741 N 0.98 1.15 -0.87 -5.77 2.07 -0.66 -2.66 116.25 110.49 2a3i h VAL 741 Ca 0.21 -0.43 0.07 0.00 0.82 0.00 0.00 66.70 67.37 2a3i h VAL 741 Cb 0.36 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 2a3i h VAL 741 CO 0.00 0.15 0.53 -0.07 0.02 0.00 0.00 177.57 178.20 2a3i h LEU 742 N 0.27 0.83 -1.52 2.57 -0.00 0.27 -0.53 115.31 117.19 2a3i h LEU 742 Ca 0.08 0.02 -0.03 0.00 -0.00 0.00 0.00 57.88 57.95 2a3i h LEU 742 Cb 0.13 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 40.63 2a3i h LEU 742 CO -0.01 0.52 -0.05 -0.33 -0.00 0.00 0.00 178.44 178.57 2a3i h GLU 743 N 0.96 0.24 -0.21 1.13 5.08 -1.16 -2.28 114.58 118.34 2a3i h GLU 743 Ca 0.39 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.63 2a3i h GLU 743 Cb 0.21 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2a3i h GLU 743 CO -0.19 0.31 -0.16 -0.97 -1.00 0.00 0.00 179.01 177.01 2a3i h ASN 744 N 0.24 0.50 -0.02 1.42 -0.73 -0.77 -3.18 115.58 113.05 2a3i h ASN 744 Ca 0.05 -0.45 0.00 0.00 1.87 0.00 0.00 56.30 57.77 2a3i h ASN 744 Cb 0.25 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 38.70 2a3i h ASN 744 CO 0.01 0.84 0.00 2.30 -0.37 0.00 0.00 177.43 180.21 2a3i n ILE 745 N -4.48 0.01 -1.64 2.57 -5.35 -0.90 -4.89 119.36 104.69 2a3i n ILE 745 Ca -0.05 -0.14 -0.44 0.00 -0.27 0.00 0.00 62.75 61.85 2a3i n ILE 745 Cb 0.37 0.03 -0.04 0.00 -1.74 0.00 0.00 39.64 38.26 2a3i n ILE 745 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 2a3i n GLU 746 N -0.36 2.38 -1.30 6.28 4.07 -0.87 -4.76 120.64 126.06 2a3i n GLU 746 Ca 0.21 0.81 -0.35 0.00 -0.06 0.00 0.00 57.16 57.77 2a3i n GLU 746 Cb 0.23 -2.97 0.10 0.00 -0.06 0.00 0.00 31.44 28.75 2a3i n GLU 746 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 2a3i n PRO 747 N 7.74 0.46 -4.01 5.31 -0.02 -1.26 -5.02 135.00 138.19 2a3i n PRO 747 Ca 0.25 0.22 -0.28 0.00 -2.02 0.00 0.00 63.50 61.66 2a3i n PRO 747 Cb 0.39 -2.36 -0.05 0.00 -0.02 0.00 0.00 33.50 31.46 2a3i n PRO 747 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2a3i s GLU 748 N -3.67 3.10 0.13 -0.52 -1.05 -1.26 -5.05 118.70 110.38 2a3i s GLU 748 Ca 0.75 -0.68 -0.27 0.00 -0.15 0.00 0.00 54.97 54.61 2a3i s GLU 748 Cb -0.33 -2.81 -0.16 0.00 -0.44 0.00 0.00 34.13 30.40 2a3i s GLU 748 CO 0.49 0.54 0.58 -0.89 0.95 0.00 0.00 175.26 176.93 2a3i n ILE 749 N -0.02 1.31 -5.25 1.83 -0.00 -1.26 -4.99 119.36 110.97 2a3i n ILE 749 Ca -0.08 -0.33 -0.31 0.00 -0.00 0.00 0.00 62.75 62.04 2a3i n ILE 749 Cb 0.53 0.00 -0.16 0.00 -0.00 0.00 0.00 39.64 40.01 2a3i n ILE 749 CO 0.00 0.00 0.00 0.68 -0.00 0.00 0.00 176.55 177.23 2a3i s VAL 750 N -0.65 1.98 0.42 1.39 -7.23 -1.26 -5.10 120.40 109.94 2a3i s VAL 750 Ca 0.62 -1.06 -0.16 0.00 -1.81 0.00 0.00 61.98 59.58 2a3i s VAL 750 Cb -0.90 -1.65 -0.09 0.00 0.56 0.00 0.00 36.38 34.31 2a3i s VAL 750 CO 0.50 0.56 0.86 -0.31 -0.31 0.00 0.00 175.10 176.39 2a3i s TYR 751 N -0.46 3.40 -0.21 2.82 2.02 -1.26 -4.58 117.35 119.07 2a3i s TYR 751 Ca 0.06 1.33 0.20 0.00 -0.37 0.00 0.00 57.07 58.30 2a3i s TYR 751 Cb -0.11 -2.65 -0.02 0.00 -0.40 0.00 0.00 41.96 38.78 2a3i s TYR 751 CO 0.00 -0.12 1.03 0.00 -1.57 0.00 0.00 175.55 174.89 2a3i h ALA 752 N 1.59 0.59 -2.13 3.71 0.00 -1.92 -3.48 119.26 117.61 2a3i h ALA 752 Ca -0.48 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 53.98 2a3i h ALA 752 Cb 1.18 0.08 0.02 0.00 0.00 0.00 0.00 17.79 19.08 2a3i h ALA 752 CO 0.63 0.31 -0.26 0.41 0.00 0.00 0.00 179.25 180.34 2a3i n GLY 753 N 1.24 0.16 3.85 0.00 0.00 -1.26 -4.85 105.19 104.33 2a3i n GLY 753 Ca -0.03 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 2a3i n GLY 753 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2a3i s TYR 754 N -2.78 3.54 -0.33 1.61 5.04 -1.26 -5.06 117.35 118.12 2a3i s TYR 754 Ca 0.12 1.08 0.03 0.00 -2.44 0.00 0.00 57.07 55.86 2a3i s TYR 754 Cb -0.05 -2.39 0.09 0.00 0.35 0.00 0.00 41.96 39.96 2a3i s TYR 754 CO 0.15 0.34 0.03 0.34 -1.34 0.00 0.00 175.55 175.07 2a3i s ASP 755 N -1.91 4.74 0.22 4.32 2.15 -1.26 -4.94 116.67 119.98 2a3i s ASP 755 Ca 0.42 -2.01 0.12 0.00 0.43 0.00 0.00 52.55 51.51 2a3i s ASP 755 Cb -0.14 -1.63 0.64 0.00 -0.30 0.00 0.00 42.92 41.50 2a3i s ASP 755 CO 0.20 -0.35 1.29 -1.54 -0.17 0.00 0.00 175.17 174.59 2a3i n SER 756 N 4.30 0.31 0.07 -0.34 3.41 -1.26 -1.62 113.62 118.48 2a3i n SER 756 Ca 0.00 0.57 0.13 0.00 -0.26 0.00 0.00 58.87 59.31 2a3i n SER 756 Cb 0.42 -0.58 0.32 0.00 -0.26 0.00 0.00 64.21 64.11 2a3i n SER 756 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2a3i n SER 757 N -1.91 0.65 -4.94 4.04 3.41 -1.26 -4.86 113.62 108.75 2a3i n SER 757 Ca -0.01 0.31 -0.24 0.00 -0.26 0.00 0.00 58.87 58.67 2a3i n SER 757 Cb 0.16 -0.28 -0.01 0.00 -0.26 0.00 0.00 64.21 63.82 2a3i n SER 757 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2a3i s LYS 758 N -3.11 3.47 0.13 4.33 -2.85 -0.64 -5.02 119.74 116.06 2a3i s LYS 758 Ca 0.09 -0.25 -0.35 0.00 -1.00 0.00 0.00 55.97 54.46 2a3i s LYS 758 Cb 0.14 -2.61 -0.15 0.00 -2.06 0.00 0.00 37.83 33.15 2a3i s LYS 758 CO 0.65 0.06 1.47 -0.35 0.10 0.00 0.00 175.35 177.29 2a3i n PRO 759 N -1.88 1.74 -1.75 1.78 -0.04 -1.26 -4.90 135.00 128.69 2a3i n PRO 759 Ca -0.04 0.63 -0.41 0.00 -0.04 0.00 0.00 63.50 63.65 2a3i n PRO 759 Cb 0.56 -2.34 -0.01 0.00 -0.04 0.00 0.00 33.50 31.67 2a3i n PRO 759 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2a3i n ASP 760 N 3.01 6.79 -4.88 3.54 8.00 -1.26 -4.82 116.55 126.92 2a3i n ASP 760 Ca 0.17 -2.87 -0.30 0.00 0.71 0.00 0.00 54.79 52.51 2a3i n ASP 760 Cb 0.25 -1.52 0.00 0.00 -0.02 0.00 0.00 41.12 39.83 2a3i n ASP 760 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2a3i s THR 761 N 1.31 4.77 0.29 -3.53 -4.23 -1.26 -4.79 115.64 108.20 2a3i s THR 761 Ca 0.55 0.65 0.01 0.00 -1.18 0.00 0.00 61.69 61.72 2a3i s THR 761 Cb 0.16 -3.85 0.12 0.00 1.34 0.00 0.00 72.50 70.27 2a3i s THR 761 CO -0.06 -0.99 1.80 0.00 -0.54 0.00 0.00 174.62 174.82 2a3i h ALA 762 N 0.01 1.20 0.25 3.99 0.00 -1.85 -1.08 119.26 121.78 2a3i h ALA 762 Ca -0.45 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 2a3i h ALA 762 Cb 1.19 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2a3i h ALA 762 CO 0.62 0.53 -0.17 0.93 0.00 0.00 0.00 179.25 181.16 2a3i h GLU 763 N 0.63 -0.40 -0.27 0.00 3.07 -1.88 -0.80 114.58 114.93 2a3i h GLU 763 Ca 0.13 0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.00 2a3i h GLU 763 Cb 0.43 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 2a3i h GLU 763 CO 0.02 -0.27 0.12 -0.91 -1.40 0.00 0.00 179.01 176.58 2a3i h ASN 764 N -0.41 0.36 -0.21 1.42 2.35 -1.82 -1.60 115.58 115.67 2a3i h ASN 764 Ca -0.02 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2a3i h ASN 764 Cb 0.35 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 2a3i h ASN 764 CO 0.01 0.40 0.12 -0.07 -1.65 0.00 0.00 177.43 176.24 2a3i h LEU 765 N 0.30 0.26 -0.30 1.61 3.38 -1.09 -0.48 115.31 118.99 2a3i h LEU 765 Ca 0.09 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 2a3i h LEU 765 Cb 0.14 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2a3i h LEU 765 CO -0.01 0.26 -0.37 -0.07 0.09 0.00 0.00 178.44 178.34 2a3i h LEU 766 N 0.23 0.85 -0.62 1.67 3.38 -1.16 0.05 115.31 119.71 2a3i h LEU 766 Ca 0.07 -0.49 0.01 0.00 0.09 0.00 0.00 57.88 57.56 2a3i h LEU 766 Cb 0.06 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2a3i h LEU 766 CO -0.01 1.17 0.41 0.28 0.09 0.00 0.00 178.44 180.38 2a3i h SER 767 N 0.55 0.70 -0.48 -0.43 0.02 -1.25 0.18 113.55 112.84 2a3i h SER 767 Ca 0.04 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 2a3i h SER 767 Cb 0.96 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 2a3i h SER 767 CO 0.09 0.50 0.21 0.74 -1.14 0.00 0.00 176.83 177.23 2a3i h THR 768 N 0.83 1.20 -0.48 -2.27 2.02 -0.93 -1.06 112.91 112.22 2a3i h THR 768 Ca 0.23 -0.60 -0.05 0.00 0.77 0.00 0.00 66.41 66.77 2a3i h THR 768 Cb -0.08 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 2a3i h THR 768 CO -0.06 0.23 0.10 -0.07 0.37 0.00 0.00 175.52 176.09 2a3i h LEU 769 N 0.63 0.67 -0.55 2.58 3.38 -0.44 -0.67 115.31 120.91 2a3i h LEU 769 Ca 0.16 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 2a3i h LEU 769 Cb 0.16 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2a3i h LEU 769 CO -0.02 0.68 -0.52 0.78 0.09 0.00 0.00 178.44 179.45 2a3i h ASN 770 N 0.70 0.60 -0.35 -0.43 2.35 -0.18 -0.81 115.58 117.46 2a3i h ASN 770 Ca 0.16 -0.31 -0.13 0.00 -0.55 0.00 0.00 56.30 55.47 2a3i h ASN 770 Cb 0.28 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 2a3i h ASN 770 CO -0.00 1.01 -0.25 0.03 -1.65 0.00 0.00 177.43 176.57 2a3i h ARG 771 N 0.42 0.86 -0.57 0.81 2.47 -0.88 -1.82 114.38 115.66 2a3i h ARG 771 Ca 0.01 -0.37 -0.00 0.00 -1.26 0.00 0.00 59.98 58.36 2a3i h ARG 771 Cb 1.06 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 29.32 2a3i h ARG 771 CO 0.10 1.01 0.34 1.25 0.56 0.00 0.00 179.97 183.23 2a3i h LEU 772 N 0.74 0.69 -0.73 3.04 5.85 -0.89 -2.20 115.31 121.81 2a3i h LEU 772 Ca 0.09 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.79 2a3i h LEU 772 Cb 0.80 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 2a3i h LEU 772 CO 0.07 0.55 0.45 0.00 -0.34 0.00 0.00 178.44 179.17 2a3i h ALA 773 N 1.17 0.97 -0.72 1.25 0.00 -0.91 -1.00 119.26 120.02 2a3i h ALA 773 Ca 0.21 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.20 2a3i h ALA 773 Cb -0.01 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.48 2a3i h ALA 773 CO -0.04 0.22 0.35 0.78 0.00 0.00 0.00 179.25 180.57 2a3i h GLY 774 N 0.87 1.09 1.07 0.00 0.00 -0.73 0.96 103.07 106.33 2a3i h GLY 774 Ca 0.30 -0.22 -0.15 0.00 0.00 0.00 0.00 47.33 47.27 2a3i h GLY 774 CO -0.13 0.04 -0.37 0.50 0.00 0.00 0.00 176.54 176.58 2a3i h LYS 775 N 0.59 0.84 -0.57 4.80 1.57 -0.95 -3.09 116.57 119.76 2a3i h LYS 775 Ca 0.36 -0.46 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 2a3i h LYS 775 Cb 0.41 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 2a3i h LYS 775 CO -0.29 1.10 0.13 1.96 -0.57 0.00 0.00 179.45 181.78 2a3i h GLN 776 N 0.62 0.89 -0.51 3.15 4.20 -0.66 -2.80 115.11 120.01 2a3i h GLN 776 Ca 0.05 -0.19 0.04 0.00 0.06 0.00 0.00 58.65 58.60 2a3i h GLN 776 Cb 0.96 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.58 2a3i h GLN 776 CO 0.09 0.80 0.34 1.98 -0.67 0.00 0.00 178.83 181.37 2a3i h MET 777 N 0.85 0.54 -0.71 1.46 4.05 -0.75 0.86 114.93 121.24 2a3i h MET 777 Ca 0.18 -0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.50 2a3i h MET 777 Cb 0.32 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 30.97 2a3i h MET 777 CO 0.00 0.36 0.18 0.82 0.23 0.00 0.00 176.91 178.49 2a3i h ILE 778 N 0.55 1.26 -0.43 1.77 2.04 -1.44 -1.17 117.51 120.10 2a3i h ILE 778 Ca 0.21 -0.97 -0.14 0.00 1.00 0.00 0.00 64.86 64.96 2a3i h ILE 778 Cb 0.13 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 2a3i h ILE 778 CO -0.05 0.37 -0.29 1.56 0.00 0.00 0.00 178.15 179.74 2a3i h GLN 779 N 1.07 0.95 -0.35 2.37 1.08 -1.19 -1.99 115.11 117.04 2a3i h GLN 779 Ca 0.22 -0.45 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 2a3i h GLN 779 Cb 0.37 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 2a3i h GLN 779 CO 0.00 1.11 0.23 0.28 -0.95 0.00 0.00 178.83 179.51 2a3i h VAL 780 N 0.79 1.10 -0.40 -0.54 2.07 -0.52 0.16 116.25 118.90 2a3i h VAL 780 Ca 0.09 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 2a3i h VAL 780 Cb 0.87 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 2a3i h VAL 780 CO 0.08 0.09 0.16 0.58 0.02 0.00 0.00 177.57 178.50 2a3i h VAL 781 N 0.48 1.19 -0.68 2.57 2.07 -1.17 0.58 116.25 121.29 2a3i h VAL 781 Ca 0.13 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 67.09 2a3i h VAL 781 Cb -0.04 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 2a3i h VAL 781 CO -0.03 0.22 0.45 0.11 0.02 0.00 0.00 177.57 178.34 2a3i h LYS 782 N 0.50 0.79 -0.02 1.57 6.56 -0.99 0.52 116.57 125.50 2a3i h LYS 782 Ca 0.13 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.67 2a3i h LYS 782 Cb 0.18 -0.18 -0.00 0.00 -0.57 0.00 0.00 32.23 31.67 2a3i h LYS 782 CO -0.01 0.52 -0.02 2.35 -2.06 0.00 0.00 179.45 180.23 2a3i h TRP 783 N 0.81 0.07 -0.77 -1.35 7.01 -0.13 -3.27 115.95 118.32 2a3i h TRP 783 Ca 0.27 -0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.22 2a3i h TRP 783 Cb 0.06 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.07 2a3i h TRP 783 CO -0.00 0.52 0.37 0.00 -2.79 0.00 0.00 178.44 176.55 2a3i h ALA 784 N 0.53 1.00 -1.04 2.65 0.00 -0.45 -3.01 119.26 118.94 2a3i h ALA 784 Ca 0.00 -0.15 0.29 0.00 0.00 0.00 0.00 54.91 55.04 2a3i h ALA 784 Cb 0.51 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 2a3i h ALA 784 CO 0.01 0.56 0.72 -0.22 0.00 0.00 0.00 179.25 180.32 2a3i h LYS 785 N 1.09 0.16 -0.42 0.00 3.64 -0.96 -0.68 116.57 119.41 2a3i h LYS 785 Ca 0.27 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2a3i h LYS 785 Cb 0.12 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2a3i h LYS 785 CO -0.03 0.11 0.00 1.33 -2.27 0.00 0.00 179.45 178.58 2a3i n VAL 786 N -4.38 1.57 -2.27 2.00 0.24 -1.14 -4.50 118.33 109.84 2a3i n VAL 786 Ca 0.23 -1.29 -0.42 0.00 -2.04 0.00 0.00 64.34 60.82 2a3i n VAL 786 Cb 1.01 0.20 -0.03 0.00 -1.47 0.00 0.00 33.84 33.55 2a3i n VAL 786 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2a3i s LEU 787 N -1.72 4.41 0.23 1.34 1.43 -0.26 -4.91 118.68 119.20 2a3i s LEU 787 Ca 0.37 2.29 -0.32 0.00 -1.03 0.00 0.00 54.13 55.44 2a3i s LEU 787 Cb 0.24 -3.60 -0.13 0.00 0.03 0.00 0.00 46.19 42.73 2a3i s LEU 787 CO 0.17 -0.51 1.48 -2.65 0.23 0.00 0.00 176.35 175.06 2a3i n PRO 788 N 3.10 2.16 0.00 1.29 -0.02 -1.26 -1.49 135.00 138.78 2a3i n PRO 788 Ca 0.07 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 2a3i n PRO 788 Cb 0.44 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2a3i n PRO 788 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a3i n GLY 789 N 2.46 2.01 0.38 -1.23 0.00 -1.26 -4.60 105.19 102.95 2a3i n GLY 789 Ca 0.12 -0.20 0.17 0.00 0.00 0.00 0.00 46.02 46.11 2a3i n GLY 789 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2a3i h PHE 790 N 0.00 0.83 0.00 1.61 3.57 -1.86 0.19 116.94 121.28 2a3i h PHE 790 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2a3i h PHE 790 Cb 0.00 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.49 2a3i h PHE 790 CO 0.00 0.18 0.00 1.57 -2.23 0.00 0.00 178.31 177.83 2a3i h LYS 791 N 0.59 0.00 0.00 1.11 2.10 -1.48 -1.86 116.57 117.03 2a3i h LYS 791 Ca 0.55 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.20 2a3i h LYS 791 Cb 1.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 2a3i h LYS 791 CO -0.30 0.00 -0.64 0.09 -2.00 0.00 0.00 179.45 176.60 2a3i n ASN 792 N -2.58 0.64 -4.77 7.07 3.02 0.66 -4.92 115.26 114.37 2a3i n ASN 792 Ca -0.01 -0.45 -0.35 0.00 -0.03 0.00 0.00 54.58 53.74 2a3i n ASN 792 Cb 0.11 0.46 0.01 0.00 -0.61 0.00 0.00 39.78 39.75 2a3i n ASN 792 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2a3i s LEU 793 N -3.02 3.71 0.76 3.41 1.43 -0.70 -4.97 118.68 119.29 2a3i s LEU 793 Ca 0.10 2.16 -0.14 0.00 -1.03 0.00 0.00 54.13 55.22 2a3i s LEU 793 Cb 0.17 -4.58 0.05 0.00 0.03 0.00 0.00 46.19 41.87 2a3i s LEU 793 CO 0.75 -1.27 1.19 -2.16 0.23 0.00 0.00 176.35 175.09 2a3i s PRO 794 N -3.38 1.99 0.26 1.29 0.04 -1.26 -4.75 135.00 129.19 2a3i s PRO 794 Ca 0.72 1.70 -0.01 0.00 0.04 0.00 0.00 61.00 63.45 2a3i s PRO 794 Cb -0.23 -1.82 0.55 0.00 0.04 0.00 0.00 34.50 33.03 2a3i s PRO 794 CO 0.29 -1.93 1.73 1.25 0.04 0.00 0.00 177.00 178.37 2a3i h LEU 795 N -0.56 0.37 -1.14 -3.56 5.85 -1.96 -1.51 115.31 112.80 2a3i h LEU 795 Ca -0.47 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.37 2a3i h LEU 795 Cb 1.29 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.35 2a3i h LEU 795 CO 0.49 0.12 0.50 -0.08 -0.34 0.00 0.00 178.44 179.12 2a3i h GLU 796 N 0.49 1.08 -0.03 1.25 4.81 -2.00 -1.27 114.58 118.91 2a3i h GLU 796 Ca 0.47 -0.09 -0.21 0.00 -0.13 0.00 0.00 59.36 59.40 2a3i h GLU 796 Cb 0.74 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 2a3i h GLU 796 CO -0.42 0.74 -0.87 -0.44 -0.73 0.00 0.00 179.01 177.29 2a3i h ASP 797 N 1.10 0.51 -0.50 1.04 3.32 -1.65 -2.08 116.42 118.17 2a3i h ASP 797 Ca 0.29 -0.38 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 2a3i h ASP 797 Cb -0.07 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 2a3i h ASP 797 CO -0.06 1.16 0.19 1.56 -1.72 0.00 0.00 179.24 180.38 2a3i h GLN 798 N 0.25 0.75 -0.52 3.56 4.20 -0.99 -0.18 115.11 122.17 2a3i h GLN 798 Ca -0.06 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.46 2a3i h GLN 798 Cb 1.48 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 29.12 2a3i h GLN 798 CO 0.15 0.67 0.13 0.82 -0.67 0.00 0.00 178.83 179.93 2a3i h ILE 799 N 0.66 1.24 -0.06 2.54 2.04 -1.25 -1.17 117.51 121.52 2a3i h ILE 799 Ca 0.17 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 2a3i h ILE 799 Cb 0.20 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2a3i h ILE 799 CO -0.01 0.30 0.03 0.74 0.00 0.00 0.00 178.15 179.22 2a3i h THR 800 N 0.71 1.05 -0.59 -0.27 2.02 -1.14 -0.70 112.91 114.00 2a3i h THR 800 Ca 0.16 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.21 2a3i h THR 800 Cb 0.32 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 2a3i h THR 800 CO 0.00 0.04 0.38 -0.07 0.37 0.00 0.00 175.52 176.24 2a3i h LEU 801 N 0.03 0.70 -0.55 2.58 3.38 -0.91 -1.38 115.31 119.16 2a3i h LEU 801 Ca 0.02 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2a3i h LEU 801 Cb 0.04 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2a3i h LEU 801 CO -0.00 0.53 0.02 0.40 0.09 0.00 0.00 178.44 179.48 2a3i h ILE 802 N 0.80 1.26 -0.06 1.22 2.04 -1.06 -1.34 117.51 120.38 2a3i h ILE 802 Ca 0.21 -1.08 -0.08 0.00 1.00 0.00 0.00 64.86 64.92 2a3i h ILE 802 Cb -0.06 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2a3i h ILE 802 CO -0.04 0.39 -0.33 1.56 0.00 0.00 0.00 178.15 179.72 2a3i h GLN 803 N 0.84 0.11 0.11 2.37 4.20 -0.91 -1.03 115.11 120.80 2a3i h GLN 803 Ca 0.16 -0.04 -0.27 0.00 0.06 0.00 0.00 58.65 58.56 2a3i h GLN 803 Cb 0.51 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2a3i h GLN 803 CO 0.02 0.44 -1.20 1.88 -0.67 0.00 0.00 178.83 179.31 2a3i h TYR 804 N 0.10 0.51 -0.05 2.96 0.05 -1.05 -3.38 116.97 116.11 2a3i h TYR 804 Ca 0.01 -0.36 0.00 0.00 0.05 0.00 0.00 58.73 58.43 2a3i h TYR 804 Cb 0.64 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.36 2a3i h TYR 804 CO 0.00 1.26 0.00 -1.13 -1.05 0.00 0.00 178.16 177.24 2a3i n SER 805 N -3.57 2.65 -0.31 3.88 3.41 -0.52 -4.66 113.62 114.51 2a3i n SER 805 Ca -0.08 -1.82 0.07 0.00 -0.26 0.00 0.00 58.87 56.78 2a3i n SER 805 Cb 0.99 -0.01 0.28 0.00 -0.26 0.00 0.00 64.21 65.21 2a3i n SER 805 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 2a3i h TRP 806 N 3.80 1.01 -0.48 7.33 5.08 -1.37 -0.46 115.95 130.85 2a3i h TRP 806 Ca 0.00 0.03 -0.13 0.00 1.08 0.00 0.00 58.89 59.87 2a3i h TRP 806 Cb 0.81 -0.33 -0.01 0.00 -3.00 0.00 0.00 29.16 26.63 2a3i h TRP 806 CO 0.01 0.46 -0.19 1.98 -1.28 0.00 0.00 178.44 179.42 2a3i h MET 807 N 0.93 0.98 -0.49 0.12 4.05 -1.87 -0.74 114.93 117.91 2a3i h MET 807 Ca 0.43 -0.41 -0.04 0.00 -0.28 0.00 0.00 59.70 59.41 2a3i h MET 807 Cb 0.41 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.15 2a3i h MET 807 CO -0.19 1.08 0.17 1.03 0.23 0.00 0.00 176.91 179.23 2a3i h SER 808 N 0.83 0.70 -0.26 1.39 0.87 -1.63 -0.74 113.55 114.71 2a3i h SER 808 Ca 0.11 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.46 2a3i h SER 808 Cb 0.76 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 2a3i h SER 808 CO 0.06 0.71 0.08 -0.07 -0.53 0.00 0.00 176.83 177.08 2a3i h LEU 809 N 0.66 0.38 -0.59 2.23 3.38 -1.00 -0.94 115.31 119.43 2a3i h LEU 809 Ca 0.16 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2a3i h LEU 809 Cb 0.25 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2a3i h LEU 809 CO -0.01 0.49 0.39 0.28 0.09 0.00 0.00 178.44 179.67 2a3i h SER 810 N 0.25 0.68 -0.38 -0.43 0.02 -0.96 -0.75 113.55 111.97 2a3i h SER 810 Ca 0.08 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.91 2a3i h SER 810 Cb 0.25 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2a3i h SER 810 CO -0.00 0.50 -0.16 -1.28 -1.14 0.00 0.00 176.83 174.75 2a3i h SER 811 N 0.80 0.81 -0.45 3.07 0.87 -1.06 -1.34 113.55 116.24 2a3i h SER 811 Ca 0.22 -0.40 -0.04 0.00 -1.23 0.00 0.00 61.79 60.34 2a3i h SER 811 Cb -0.08 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.64 2a3i h SER 811 CO -0.05 1.02 0.14 0.15 -0.53 0.00 0.00 176.83 177.57 2a3i h PHE 812 N 0.59 0.73 -0.34 2.24 3.57 -1.00 -1.56 116.94 121.17 2a3i h PHE 812 Ca 0.09 -0.08 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 2a3i h PHE 812 Cb 0.71 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 2a3i h PHE 812 CO 0.06 0.66 -0.07 0.00 -2.23 0.00 0.00 178.31 176.73 2a3i h ALA 813 N 0.99 1.25 -0.33 2.41 0.00 -1.07 -1.00 119.26 121.52 2a3i h ALA 813 Ca 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2a3i h ALA 813 Cb 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2a3i h ALA 813 CO -0.00 0.49 0.15 1.25 0.00 0.00 0.00 179.25 181.14 2a3i h LEU 814 N 0.52 0.43 -1.18 0.00 5.85 -0.78 -1.00 115.31 119.15 2a3i h LEU 814 Ca 0.10 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 2a3i h LEU 814 Cb 0.44 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2a3i h LEU 814 CO 0.02 0.45 -0.01 0.28 -0.34 0.00 0.00 178.44 178.84 2a3i h SER 815 N 0.39 0.52 0.01 1.25 0.02 -0.86 -0.58 113.55 114.30 2a3i h SER 815 Ca 0.11 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2a3i h SER 815 Cb 0.13 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2a3i h SER 815 CO -0.01 0.59 -0.00 -0.25 -1.14 0.00 0.00 176.83 176.02 2a3i h TRP 816 N 0.52 -0.01 -1.00 3.45 2.91 -0.76 -0.76 115.95 120.31 2a3i h TRP 816 Ca 0.11 -0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.14 2a3i h TRP 816 Cb 0.35 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 28.96 2a3i h TRP 816 CO 0.01 0.22 0.66 0.00 -1.03 0.00 0.00 178.44 178.31 2a3i h ARG 817 N -0.24 1.31 -0.64 2.65 3.08 -0.95 0.82 114.38 120.42 2a3i h ARG 817 Ca -0.00 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 2a3i h ARG 817 Cb 0.23 -0.30 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 2a3i h ARG 817 CO 0.00 0.87 0.22 0.77 -1.07 0.00 0.00 179.97 180.76 2a3i h SER 818 N 1.35 0.89 0.32 7.04 0.02 -0.95 0.15 113.55 122.37 2a3i h SER 818 Ca 0.37 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 2a3i h SER 818 Cb -0.15 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.17 2a3i h SER 818 CO -0.08 0.82 -0.15 0.22 -1.14 0.00 0.00 176.83 176.49 2a3i h TYR 819 N 0.93 -0.40 -0.63 3.45 3.20 -0.32 0.04 116.97 123.25 2a3i h TYR 819 Ca 0.21 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.99 2a3i h TYR 819 Cb 0.24 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 2a3i h TYR 819 CO 0.02 -0.06 0.08 0.87 -1.64 0.00 0.00 178.16 177.43 2a3i h LYS 820 N -0.86 1.04 0.00 1.82 1.79 -0.79 -1.46 116.57 118.11 2a3i h LYS 820 Ca -0.04 -0.28 -0.10 0.00 -2.18 0.00 0.00 60.65 58.04 2a3i h LYS 820 Cb 0.52 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.04 2a3i h LYS 820 CO 0.07 0.97 -1.29 0.72 -1.08 0.00 0.00 179.45 178.84 2a3i n HIS 821 N -4.21 0.94 -0.76 -1.35 8.25 0.53 -4.57 115.22 114.07 2a3i n HIS 821 Ca 0.04 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.80 2a3i n HIS 821 Cb 0.30 -1.03 0.00 0.00 1.12 0.00 0.00 29.99 30.38 2a3i n HIS 821 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2a3i n THR 822 N -2.79 0.29 -2.54 1.59 -2.24 -0.53 -4.97 114.28 103.08 2a3i n THR 822 Ca -0.06 -0.29 -0.21 0.00 -2.27 0.00 0.00 64.05 61.22 2a3i n THR 822 Cb 0.73 0.84 -0.00 0.00 -2.10 0.00 0.00 70.33 69.80 2a3i n THR 822 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2a3i n ASN 823 N -0.15 -5.81 -3.41 3.42 2.85 -0.55 -1.98 115.26 109.63 2a3i n ASN 823 Ca 0.00 -0.06 -0.21 0.00 -0.11 0.00 0.00 54.58 54.20 2a3i n ASN 823 Cb 0.44 -4.81 0.08 0.00 1.24 0.00 0.00 39.78 36.72 2a3i n ASN 823 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2a3i n SER 824 N -2.11 -5.06 -0.01 1.20 7.64 -0.11 -4.91 113.62 110.26 2a3i n SER 824 Ca -0.21 -0.53 0.07 0.00 1.01 0.00 0.00 58.87 59.20 2a3i n SER 824 Cb 0.67 -4.84 -0.14 0.00 -1.01 0.00 0.00 64.21 58.89 2a3i n SER 824 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2a3i n GLN 825 N -4.57 0.66 -4.22 1.43 6.02 -0.84 -4.82 117.38 111.03 2a3i n GLN 825 Ca -0.07 -0.10 -0.15 0.00 -0.01 0.00 0.00 57.00 56.67 2a3i n GLN 825 Cb 0.59 -1.57 -0.09 0.00 1.02 0.00 0.00 30.24 30.18 2a3i n GLN 825 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2a3i s PHE 826 N -3.28 1.39 -0.47 1.08 0.08 -1.26 -4.97 117.98 110.55 2a3i s PHE 826 Ca -0.07 -1.48 -0.13 0.00 0.12 0.00 0.00 56.93 55.36 2a3i s PHE 826 Cb 0.12 -0.58 0.08 0.00 -0.57 0.00 0.00 43.02 42.07 2a3i s PHE 826 CO 0.88 -0.77 0.37 -0.51 -0.10 0.00 0.00 175.22 175.08 2a3i s LEU 827 N -3.25 5.57 -1.26 -0.37 1.43 -0.77 -4.70 118.68 115.33 2a3i s LEU 827 Ca 0.39 -1.47 -0.15 0.00 -1.03 0.00 0.00 54.13 51.87 2a3i s LEU 827 Cb 0.04 -2.12 0.13 0.00 0.03 0.00 0.00 46.19 44.28 2a3i s LEU 827 CO 0.19 -0.65 1.61 0.00 0.23 0.00 0.00 176.35 177.74 2a3i n TYR 828 N 5.11 4.62 -0.22 0.29 4.19 -1.26 -0.42 117.16 129.47 2a3i n TYR 828 Ca -0.12 -3.13 -0.09 0.00 3.31 0.00 0.00 57.90 57.88 2a3i n TYR 828 Cb 0.43 -2.33 0.03 0.00 0.49 0.00 0.00 39.34 37.96 2a3i n TYR 828 CO 0.00 0.00 0.00 0.74 0.91 0.00 0.00 176.86 178.51 2a3i h PHE 829 N 7.07 1.11 -2.92 2.98 -1.00 -1.77 -3.41 116.94 119.00 2a3i h PHE 829 Ca 0.38 -0.16 -0.03 0.00 2.81 0.00 0.00 57.97 60.97 2a3i h PHE 829 Cb 0.84 -0.30 -0.13 0.00 3.61 0.00 0.00 35.95 39.96 2a3i h PHE 829 CO 1.24 0.96 0.17 0.00 -1.61 0.00 0.00 178.31 179.06 2a3i s ALA 830 N -5.16 -1.54 0.60 2.45 0.00 -0.82 -4.96 121.76 112.33 2a3i s ALA 830 Ca -0.12 0.53 0.29 0.00 0.00 0.00 0.00 51.96 52.66 2a3i s ALA 830 Cb 0.13 0.75 1.58 0.00 0.00 0.00 0.00 23.12 25.58 2a3i s ALA 830 CO 0.84 -0.70 1.98 -1.00 0.00 0.00 0.00 175.76 176.88 2a3i h PRO 831 N 2.19 0.00 -0.30 0.00 0.13 -1.89 0.12 132.00 132.24 2a3i h PRO 831 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2a3i h PRO 831 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2a3i h PRO 831 CO 0.39 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.76 2a3i n ASP 832 N -3.61 2.86 -3.41 1.44 5.75 -1.26 -4.76 116.55 113.56 2a3i n ASP 832 Ca 0.04 -1.86 -0.25 0.00 -0.01 0.00 0.00 54.79 52.71 2a3i n ASP 832 Cb 0.50 -0.20 -0.10 0.00 -1.03 0.00 0.00 41.12 40.29 2a3i n ASP 832 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2a3i s LEU 833 N -1.08 0.67 -0.20 -2.12 2.96 0.41 -4.56 118.68 114.76 2a3i s LEU 833 Ca 0.26 -2.11 -0.02 0.00 -0.22 0.00 0.00 54.13 52.03 2a3i s LEU 833 Cb 0.15 -0.08 -0.00 0.00 0.50 0.00 0.00 46.19 46.76 2a3i s LEU 833 CO 0.20 -0.27 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.18 2a3i s VAL 834 N 1.05 3.03 -0.04 1.68 1.01 -1.25 -1.95 120.40 123.93 2a3i s VAL 834 Ca 0.20 -0.61 -0.26 0.00 0.00 0.00 0.00 61.98 61.30 2a3i s VAL 834 Cb -0.17 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 2a3i s VAL 834 CO -0.02 0.46 0.80 -0.36 0.00 0.00 0.00 175.10 175.98 2a3i s PHE 835 N 1.32 3.61 0.46 5.22 0.40 0.44 -4.90 117.98 124.53 2a3i s PHE 835 Ca 0.04 1.42 0.04 0.00 -0.60 0.00 0.00 56.93 57.83 2a3i s PHE 835 Cb -0.14 -2.92 0.04 0.00 0.51 0.00 0.00 43.02 40.51 2a3i s PHE 835 CO -0.05 0.05 0.33 0.27 0.70 0.00 0.00 175.22 176.53 2a3i n ASN 836 N 3.81 2.52 -0.35 1.36 6.94 -1.26 -1.85 115.26 126.43 2a3i n ASN 836 Ca 0.01 -2.61 0.09 0.00 -0.02 0.00 0.00 54.58 52.05 2a3i n ASN 836 Cb 0.51 -0.02 0.28 0.00 -2.36 0.00 0.00 39.78 38.19 2a3i n ASN 836 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 2a3i h GLU 837 N 0.00 0.89 -0.28 -3.83 4.57 -1.97 -2.06 114.58 111.90 2a3i h GLU 837 Ca -0.30 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 57.83 2a3i h GLU 837 Cb 1.08 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.45 2a3i h GLU 837 CO 0.47 0.59 0.16 0.93 -1.18 0.00 0.00 179.01 179.98 2a3i h GLU 838 N 0.91 0.38 -0.21 1.92 3.07 -2.01 -2.56 114.58 116.09 2a3i h GLU 838 Ca 0.50 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 59.23 2a3i h GLU 838 Cb 0.59 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 2a3i h GLU 838 CO -0.27 0.31 -0.26 0.87 -1.40 0.00 0.00 179.01 178.26 2a3i h LYS 839 N 0.35 0.39 -0.99 2.33 1.57 -1.84 -2.37 116.57 116.01 2a3i h LYS 839 Ca 0.10 -0.15 0.04 0.00 -1.87 0.00 0.00 60.65 58.77 2a3i h LYS 839 Cb 0.03 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.26 2a3i h LYS 839 CO -0.02 0.63 0.65 0.52 -0.57 0.00 0.00 179.45 180.66 2a3i h MET 840 N 0.35 1.23 -0.22 3.15 2.86 -1.08 0.00 114.93 121.22 2a3i h MET 840 Ca 0.05 -0.07 -0.14 0.00 -2.06 0.00 0.00 59.70 57.48 2a3i h MET 840 Cb 0.65 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 32.04 2a3i h MET 840 CO 0.05 0.81 -0.42 0.45 1.06 0.00 0.00 176.91 178.86 2a3i h HIS 841 N 1.26 0.84 0.00 -0.22 3.86 -1.11 -2.93 115.15 116.86 2a3i h HIS 841 Ca 0.39 -0.30 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 2a3i h HIS 841 Cb -0.01 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.30 2a3i h HIS 841 CO -0.00 1.07 -0.05 1.96 0.86 0.00 0.00 177.93 181.76 2a3i h GLN 842 N 0.38 0.00 0.00 2.45 1.08 -1.01 -2.74 115.11 115.26 2a3i h GLN 842 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2a3i h GLN 842 Cb 1.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.45 2a3i h GLN 842 CO 0.09 0.05 0.00 0.66 -0.95 0.00 0.00 178.83 178.69 2a3i h SER 843 N 0.00 0.00 -0.31 1.46 4.64 -0.97 -3.02 113.55 115.34 2a3i h SER 843 Ca -0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 2a3i h SER 843 Cb 0.53 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.56 2a3i h SER 843 CO 0.01 0.00 -0.12 0.00 -0.87 0.00 0.00 176.83 175.84 2a3i n ALA 844 N -1.81 -0.10 -1.75 5.18 0.00 -1.04 -4.82 120.51 116.18 2a3i n ALA 844 Ca 0.03 0.11 0.06 0.00 0.00 0.00 0.00 53.44 53.64 2a3i n ALA 844 Cb 0.31 -1.18 0.15 0.00 0.00 0.00 0.00 19.45 18.73 2a3i n ALA 844 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2a3i n MET 845 N -1.67 1.16 -0.08 0.00 2.81 -1.25 -4.94 117.12 113.15 2a3i n MET 845 Ca -0.07 -2.87 -0.09 0.00 -1.81 0.00 0.00 57.70 52.86 2a3i n MET 845 Cb 0.36 -1.22 -0.03 0.00 -0.71 0.00 0.00 33.22 31.61 2a3i n MET 845 CO 0.00 0.00 0.00 -0.92 1.51 0.00 0.00 175.97 176.56 2a3i h TYR 846 N 0.85 -1.01 -0.70 2.03 5.03 -1.82 -0.74 116.97 120.61 2a3i h TYR 846 Ca -0.05 0.05 -0.00 0.00 2.58 0.00 0.00 58.73 61.31 2a3i h TYR 846 Cb 1.20 0.49 -0.03 0.00 1.55 0.00 0.00 36.73 39.94 2a3i h TYR 846 CO 0.53 -0.41 0.42 0.93 -1.32 0.00 0.00 178.16 178.31 2a3i h GLU 847 N -0.32 0.95 -0.53 1.82 3.07 -1.92 -1.14 114.58 116.52 2a3i h GLU 847 Ca 0.14 -0.08 -0.12 0.00 -0.50 0.00 0.00 59.36 58.80 2a3i h GLU 847 Cb 0.56 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 2a3i h GLU 847 CO -0.49 0.67 -0.13 -0.07 -1.40 0.00 0.00 179.01 177.59 2a3i h LEU 848 N 0.97 1.01 -0.95 1.33 3.38 -1.83 -1.56 115.31 117.66 2a3i h LEU 848 Ca 0.25 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 2a3i h LEU 848 Cb -0.03 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 2a3i h LEU 848 CO -0.05 1.13 0.28 0.00 0.09 0.00 0.00 178.44 179.90 2a3i h GLN 850 N 1.02 1.15 -0.46 0.00 1.08 -0.87 0.20 115.11 117.23 2a3i h GLN 850 Ca 0.24 -0.17 -0.03 0.00 -1.45 0.00 0.00 58.65 57.24 2a3i h GLN 850 Cb 0.20 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 2a3i h GLN 850 CO -0.02 0.89 0.19 0.78 -0.95 0.00 0.00 178.83 179.72 2a3i h GLY 851 N 1.13 0.73 1.40 3.46 0.00 -0.65 0.67 103.07 109.81 2a3i h GLY 851 Ca 0.27 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 47.11 2a3i h GLY 851 CO -0.03 0.37 -0.15 -0.33 0.00 0.00 0.00 176.54 176.40 2a3i h MET 852 N 0.60 0.71 -0.65 4.80 2.86 -1.05 -2.62 114.93 119.58 2a3i h MET 852 Ca 0.15 -0.25 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 2a3i h MET 852 Cb 0.19 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 2a3i h MET 852 CO -0.01 0.83 0.17 1.25 1.06 0.00 0.00 176.91 180.20 2a3i h HIS 853 N 0.64 1.05 -0.55 -0.22 6.17 -0.09 -2.38 115.15 119.77 2a3i h HIS 853 Ca 0.10 -0.11 0.02 0.00 0.71 0.00 0.00 60.37 61.10 2a3i h HIS 853 Cb 0.61 -0.30 -0.03 0.00 2.52 0.00 0.00 27.41 30.21 2a3i h HIS 853 CO 0.03 0.85 0.37 1.96 0.71 0.00 0.00 177.93 181.85 2a3i h GLN 854 N 0.97 0.66 -0.52 5.26 1.08 -0.50 -0.12 115.11 121.94 2a3i h GLN 854 Ca 0.21 -0.04 -0.11 0.00 -1.45 0.00 0.00 58.65 57.26 2a3i h GLN 854 Cb 0.32 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 2a3i h GLN 854 CO -0.00 0.44 -0.12 0.82 -0.95 0.00 0.00 178.83 179.02 2a3i h ILE 855 N 0.68 1.27 -0.80 2.54 1.08 -1.28 -2.10 117.51 118.90 2a3i h ILE 855 Ca 0.21 -1.27 -0.02 0.00 -0.39 0.00 0.00 64.86 63.40 2a3i h ILE 855 Cb 0.02 0.99 -0.04 0.00 -3.07 0.00 0.00 36.82 34.72 2a3i h ILE 855 CO -0.05 0.44 0.43 0.28 -0.69 0.00 0.00 178.15 178.56 2a3i h SER 856 N 0.88 0.99 -0.73 1.72 0.02 -0.83 -1.87 113.55 113.73 2a3i h SER 856 Ca 0.14 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 2a3i h SER 856 Cb 0.68 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 2a3i h SER 856 CO 0.05 0.80 0.31 -0.07 -1.14 0.00 0.00 176.83 176.78 2a3i h LEU 857 N 1.11 1.01 -0.92 5.07 3.38 -0.68 -2.16 115.31 122.11 2a3i h LEU 857 Ca 0.28 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 2a3i h LEU 857 Cb 0.03 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 2a3i h LEU 857 CO -0.04 0.89 0.20 1.56 0.09 0.00 0.00 178.44 181.13 2a3i h GLN 858 N 1.08 0.99 -1.00 1.13 1.08 -0.69 -1.20 115.11 116.50 2a3i h GLN 858 Ca 0.25 -0.20 0.05 0.00 -1.45 0.00 0.00 58.65 57.30 2a3i h GLN 858 Cb 0.18 -0.15 -0.06 0.00 -0.05 0.00 0.00 27.48 27.40 2a3i h GLN 858 CO -0.02 0.85 0.65 0.74 -0.95 0.00 0.00 178.83 180.10 2a3i h PHE 859 N 0.96 1.21 -0.19 2.96 -1.00 -0.74 -0.94 116.94 119.20 2a3i h PHE 859 Ca 0.21 0.03 -0.14 0.00 2.81 0.00 0.00 57.97 60.88 2a3i h PHE 859 Cb 0.28 -0.40 0.00 0.00 3.61 0.00 0.00 35.95 39.44 2a3i h PHE 859 CO 0.02 0.67 -0.43 0.28 -1.61 0.00 0.00 178.31 177.24 2a3i h VAL 860 N 1.22 1.33 -0.18 -0.55 2.07 -1.12 0.74 116.25 119.75 2a3i h VAL 860 Ca 0.41 -1.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.24 2a3i h VAL 860 Cb 0.07 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 2a3i h VAL 860 CO -0.15 0.52 0.02 -0.09 0.02 0.00 0.00 177.57 177.90 2a3i h ARG 861 N 0.31 0.26 -0.01 1.57 2.43 -0.76 -2.43 114.38 115.76 2a3i h ARG 861 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2a3i h ARG 861 Cb 1.04 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 2a3i h ARG 861 CO 0.10 0.26 -0.73 1.28 -1.51 0.00 0.00 179.97 179.37 2a3i n LEU 862 N -4.41 1.24 -3.78 3.80 4.77 -0.40 -4.98 117.00 113.25 2a3i n LEU 862 Ca -0.00 -0.49 -0.25 0.00 -0.03 0.00 0.00 56.01 55.23 2a3i n LEU 862 Cb 0.16 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 2a3i n LEU 862 CO 0.36 0.27 -0.13 0.00 -1.33 0.00 0.00 177.39 176.56 2a3i n GLN 863 N -1.00 -3.24 -1.65 3.23 1.13 0.17 -4.82 117.38 111.19 2a3i n GLN 863 Ca 0.06 0.50 -0.44 0.00 -1.94 0.00 0.00 57.00 55.19 2a3i n GLN 863 Cb 0.37 -4.67 -0.01 0.00 0.11 0.00 0.00 30.24 26.04 2a3i n GLN 863 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 2a3i n LEU 864 N -4.27 2.74 -4.94 1.08 7.94 -0.68 -4.99 117.00 113.89 2a3i n LEU 864 Ca -0.24 1.19 -0.26 0.00 -1.11 0.00 0.00 56.01 55.58 2a3i n LEU 864 Cb 0.66 -1.39 -0.03 0.00 0.53 0.00 0.00 43.42 43.19 2a3i n LEU 864 CO 0.70 -0.87 -0.05 0.28 -1.11 0.00 0.00 177.39 176.35 2a3i s THR 865 N -0.93 5.28 0.42 1.96 -1.32 -1.26 -4.98 115.64 114.80 2a3i s THR 865 Ca 0.59 -0.58 0.11 0.00 -1.21 0.00 0.00 61.69 60.60 2a3i s THR 865 Cb -0.64 -3.75 0.31 0.00 -1.51 0.00 0.00 72.50 66.91 2a3i s THR 865 CO 0.60 -0.14 2.00 0.15 -2.21 0.00 0.00 174.62 175.02 2a3i h PHE 866 N 2.04 0.51 0.27 9.09 3.57 -1.99 -0.24 116.94 130.18 2a3i h PHE 866 Ca -0.48 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.02 2a3i h PHE 866 Cb 1.19 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.77 2a3i h PHE 866 CO 0.54 0.27 -0.13 0.93 -2.23 0.00 0.00 178.31 177.68 2a3i h GLU 867 N 0.50 -0.34 -0.64 1.11 3.07 -1.96 -1.34 114.58 114.97 2a3i h GLU 867 Ca 0.25 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 2a3i h GLU 867 Cb 0.34 0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.30 2a3i h GLU 867 CO -0.07 -0.13 0.40 0.93 -1.40 0.00 0.00 179.01 178.74 2a3i h GLU 868 N -0.50 0.86 -0.15 2.33 5.08 -1.82 -2.84 114.58 117.54 2a3i h GLU 868 Ca -0.04 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2a3i h GLU 868 Cb 0.37 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 2a3i h GLU 868 CO 0.06 0.59 -0.10 -0.92 -1.00 0.00 0.00 179.01 177.65 2a3i h TYR 869 N 0.87 -0.24 -0.94 4.33 5.03 -0.90 -0.52 116.97 124.59 2a3i h TYR 869 Ca 0.23 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.57 2a3i h TYR 869 Cb -0.06 0.13 -0.05 0.00 1.55 0.00 0.00 36.73 38.31 2a3i h TYR 869 CO -0.02 -0.15 0.62 1.79 -1.32 0.00 0.00 178.16 179.08 2a3i h THR 870 N -0.10 1.22 -0.43 1.81 1.35 -1.10 -0.40 112.91 115.26 2a3i h THR 870 Ca 0.09 -0.43 -0.14 0.00 -0.55 0.00 0.00 66.41 65.38 2a3i h THR 870 Cb 0.23 -0.15 -0.01 0.00 -1.73 0.00 0.00 68.15 66.50 2a3i h THR 870 CO -0.21 0.23 -0.26 0.40 -0.25 0.00 0.00 175.52 175.43 2a3i h ILE 871 N 1.26 1.27 -0.44 6.82 1.08 -1.25 -2.76 117.51 123.50 2a3i h ILE 871 Ca 0.35 -1.43 -0.03 0.00 -0.39 0.00 0.00 64.86 63.36 2a3i h ILE 871 Cb -0.12 1.25 -0.02 0.00 -3.07 0.00 0.00 36.82 34.86 2a3i h ILE 871 CO -0.09 0.48 0.13 0.24 -0.69 0.00 0.00 178.15 178.23 2a3i h MET 872 N 0.77 0.65 -0.23 2.37 2.86 -0.64 -1.24 114.93 119.47 2a3i h MET 872 Ca 0.09 -0.11 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2a3i h MET 872 Cb 0.84 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 2a3i h MET 872 CO 0.07 0.58 0.13 0.87 1.06 0.00 0.00 176.91 179.62 2a3i h LYS 873 N 0.64 0.26 -0.71 1.72 1.57 -0.83 0.25 116.57 119.47 2a3i h LYS 873 Ca 0.15 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.93 2a3i h LYS 873 Cb 0.20 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 2a3i h LYS 873 CO -0.01 0.17 0.46 0.28 -0.57 0.00 0.00 179.45 179.78 2a3i h VAL 874 N 0.26 1.15 -0.33 0.50 2.07 -1.15 -1.27 116.25 117.49 2a3i h VAL 874 Ca 0.09 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 2a3i h VAL 874 Cb 0.00 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 2a3i h VAL 874 CO -0.05 0.17 0.13 -0.07 0.02 0.00 0.00 177.57 177.77 2a3i h LEU 875 N 0.93 0.41 -0.46 2.57 3.38 -0.51 -1.20 115.31 120.43 2a3i h LEU 875 Ca 0.27 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 58.05 2a3i h LEU 875 Cb -0.06 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2a3i h LEU 875 CO -0.08 0.38 -0.41 -0.07 0.09 0.00 0.00 178.44 178.35 2a3i h LEU 876 N 0.46 0.89 -1.85 1.67 3.38 -0.05 -1.55 115.31 118.25 2a3i h LEU 876 Ca 0.11 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 2a3i h LEU 876 Cb 0.10 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2a3i h LEU 876 CO -0.01 1.18 -0.01 0.25 0.09 0.00 0.00 178.44 179.94 2a3i h LEU 877 N 0.67 0.07 -3.68 1.67 5.85 -0.18 -1.34 115.31 118.37 2a3i h LEU 877 Ca 0.05 -0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.53 2a3i h LEU 877 Cb 0.99 -0.02 -0.14 0.00 0.37 0.00 0.00 40.66 41.86 2a3i h LEU 877 CO 0.09 0.09 0.26 0.18 -0.34 0.00 0.00 178.44 178.73 2a3i n LEU 878 N -4.48 5.68 0.06 2.25 4.77 -0.56 -4.61 117.00 120.11 2a3i n LEU 878 Ca -0.02 -3.35 0.12 0.00 -0.03 0.00 0.00 56.01 52.73 2a3i n LEU 878 Cb 0.12 -0.72 0.16 0.00 -2.33 0.00 0.00 43.42 40.65 2a3i n LEU 878 CO 0.35 0.90 0.32 -1.54 -1.33 0.00 0.00 177.39 176.09 2a3i n SER 879 N -0.51 0.68 -3.75 -1.43 3.41 -0.51 -4.90 113.62 106.62 2a3i n SER 879 Ca 0.41 0.08 -0.12 0.00 -0.26 0.00 0.00 58.87 58.98 2a3i n SER 879 Cb 1.33 0.22 -0.12 0.00 -0.26 0.00 0.00 64.21 65.39 2a3i n SER 879 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2a3i s THR 880 N -3.17 -0.02 0.35 6.66 -1.32 -1.26 0.24 115.64 117.12 2a3i s THR 880 Ca 0.06 0.07 0.03 0.00 -1.21 0.00 0.00 61.69 60.64 2a3i s THR 880 Cb 0.14 -0.42 -0.05 0.00 -1.51 0.00 0.00 72.50 70.66 2a3i s THR 880 CO 0.73 0.03 0.08 0.27 -2.21 0.00 0.00 174.62 173.52 2a3i s ILE 881 N 0.73 0.93 0.61 5.08 -4.36 -0.80 -4.81 121.20 118.58 2a3i s ILE 881 Ca -0.05 -2.00 -0.18 0.00 -0.26 0.00 0.00 60.65 58.16 2a3i s ILE 881 Cb -0.06 -2.63 -0.02 0.00 1.25 0.00 0.00 42.46 41.00 2a3i s ILE 881 CO -0.05 0.00 1.18 -2.84 0.24 0.00 0.00 174.94 173.47 2a3i s PRO 882 N -3.85 2.89 0.53 0.37 0.02 -1.26 0.02 135.00 133.72 2a3i s PRO 882 Ca 0.32 1.72 0.20 0.00 0.02 0.00 0.00 61.00 63.26 2a3i s PRO 882 Cb 0.07 -1.93 1.34 0.00 0.02 0.00 0.00 34.50 33.99 2a3i s PRO 882 CO 0.15 -1.24 2.10 -0.22 -0.33 0.00 0.00 177.00 177.45 2a3i h LYS 883 N 0.64 0.00 -0.70 5.54 3.64 -0.24 0.22 116.57 125.66 2a3i h LYS 883 Ca -0.49 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.76 2a3i h LYS 883 Cb 1.28 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 33.03 2a3i h LYS 883 CO 0.54 0.00 0.16 -0.25 -2.27 0.00 0.00 179.45 177.64 2a3i n ASP 884 N -4.45 5.13 -0.70 4.20 8.00 -1.26 -5.04 116.55 122.43 2a3i n ASP 884 Ca 0.02 -3.07 0.09 0.00 0.71 0.00 0.00 54.79 52.53 2a3i n ASP 884 Cb 0.28 -0.72 -0.03 0.00 -0.02 0.00 0.00 41.12 40.63 2a3i n ASP 884 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a3i n GLY 885 N 0.17 -2.07 3.96 0.44 0.00 0.06 -4.97 105.19 102.79 2a3i n GLY 885 Ca 0.35 -1.32 -0.26 0.00 0.00 0.00 0.00 46.02 44.79 2a3i n GLY 885 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a3i s LEU 886 N -5.60 2.86 0.12 0.99 1.43 -1.26 -4.52 118.68 112.70 2a3i s LEU 886 Ca 0.00 -0.07 -0.13 0.00 -1.03 0.00 0.00 54.13 52.90 2a3i s LEU 886 Cb 0.00 -2.18 -0.07 0.00 0.03 0.00 0.00 46.19 43.97 2a3i s LEU 886 CO 0.00 -2.18 1.43 0.50 0.23 0.00 0.00 176.35 176.33 2a3i h LYS 887 N -0.97 0.82 -2.29 1.70 1.63 -1.96 -3.27 116.57 112.24 2a3i h LYS 887 Ca -0.40 -0.45 -0.63 0.00 -0.85 0.00 0.00 60.65 58.32 2a3i h LYS 887 Cb 1.26 0.03 -0.39 0.00 -0.60 0.00 0.00 32.23 32.52 2a3i h LYS 887 CO 0.41 1.08 -0.35 0.43 -3.45 0.00 0.00 179.45 177.57 2a3i n SER 888 N -4.15 4.87 -0.05 4.20 7.64 -1.26 -4.92 113.62 119.95 2a3i n SER 888 Ca -0.03 -3.65 -0.08 0.00 1.01 0.00 0.00 58.87 56.12 2a3i n SER 888 Cb 0.53 -0.68 -0.02 0.00 -1.01 0.00 0.00 64.21 63.03 2a3i n SER 888 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2a3i h GLN 889 N 3.38 -0.07 -0.76 1.43 5.75 -1.95 -1.43 115.11 121.46 2a3i h GLN 889 Ca 0.20 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.76 2a3i h GLN 889 Cb 0.50 0.02 -0.06 0.00 1.07 0.00 0.00 27.48 29.01 2a3i h GLN 889 CO 0.89 -0.04 0.45 0.00 -2.65 0.00 0.00 178.83 177.48 2a3i h ALA 890 N 1.14 1.03 -0.50 3.38 0.00 -1.92 0.51 119.26 122.90 2a3i h ALA 890 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2a3i h ALA 890 Cb 0.26 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2a3i h ALA 890 CO -0.29 0.17 -0.03 0.00 0.00 0.00 0.00 179.25 179.10 2a3i h ALA 891 N 1.37 1.00 0.04 0.00 0.00 -1.90 -2.21 119.26 117.57 2a3i h ALA 891 Ca 0.33 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2a3i h ALA 891 Cb 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2a3i h ALA 891 CO -0.17 0.61 -0.02 0.35 0.00 0.00 0.00 179.25 180.02 2a3i h PHE 892 N 0.79 -0.04 -0.87 0.00 3.04 -0.16 -1.90 116.94 117.80 2a3i h PHE 892 Ca 0.14 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.16 2a3i h PHE 892 Cb 0.52 0.01 -0.06 0.00 2.56 0.00 0.00 35.95 38.99 2a3i h PHE 892 CO 0.03 0.07 0.57 0.93 -2.02 0.00 0.00 178.31 177.89 2a3i h GLU 893 N -0.15 0.94 -0.37 1.11 5.08 -0.77 -0.13 114.58 120.28 2a3i h GLU 893 Ca -0.00 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 2a3i h GLU 893 Cb 0.14 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2a3i h GLU 893 CO 0.01 0.62 -0.06 1.49 -1.00 0.00 0.00 179.01 180.07 2a3i h GLU 894 N 0.97 0.69 -0.27 2.33 4.81 -1.21 -1.29 114.58 120.61 2a3i h GLU 894 Ca 0.38 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2a3i h GLU 894 Cb 0.23 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 2a3i h GLU 894 CO -0.14 0.82 0.11 0.52 -0.73 0.00 0.00 179.01 179.59 2a3i h MET 895 N 0.49 0.40 -0.68 1.92 2.86 -0.67 -1.66 114.93 117.58 2a3i h MET 895 Ca 0.10 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 2a3i h MET 895 Cb 0.55 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 2a3i h MET 895 CO 0.03 0.42 0.23 -0.09 1.06 0.00 0.00 176.91 178.56 2a3i h ARG 896 N 0.28 1.04 -0.66 1.72 2.43 -1.00 -1.49 114.38 116.70 2a3i h ARG 896 Ca 0.09 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 2a3i h ARG 896 Cb 0.17 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 2a3i h ARG 896 CO -0.01 0.88 0.32 1.15 -1.51 0.00 0.00 179.97 180.80 2a3i h THR 897 N 1.00 1.22 -0.73 0.20 2.02 -1.04 -1.28 112.91 114.31 2a3i h THR 897 Ca 0.22 -0.62 -0.06 0.00 0.77 0.00 0.00 66.41 66.72 2a3i h THR 897 Cb 0.26 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 2a3i h THR 897 CO -0.01 0.26 0.23 0.78 0.37 0.00 0.00 175.52 177.15 2a3i h ASN 898 N 0.91 1.06 0.42 4.18 2.35 -0.82 -0.50 115.58 123.19 2a3i h ASN 898 Ca 0.23 -0.20 -0.09 0.00 -0.55 0.00 0.00 56.30 55.69 2a3i h ASN 898 Cb 0.12 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 2a3i h ASN 898 CO -0.03 0.99 -0.42 1.88 -1.65 0.00 0.00 177.43 178.19 2a3i h TYR 899 N 1.09 0.00 -0.14 1.19 0.05 -0.95 0.14 116.97 118.36 2a3i h TYR 899 Ca 0.24 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.97 2a3i h TYR 899 Cb 0.30 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.04 2a3i h TYR 899 CO 0.02 0.42 -0.09 0.82 -1.05 0.00 0.00 178.16 178.28 2a3i h ILE 900 N 0.00 1.33 -1.00 -2.88 2.04 -0.52 -1.30 117.51 115.18 2a3i h ILE 900 Ca -0.00 -1.19 0.04 0.00 1.00 0.00 0.00 64.86 64.71 2a3i h ILE 900 Cb 0.75 1.82 -0.06 0.00 -0.74 0.00 0.00 36.82 38.59 2a3i h ILE 900 CO 0.05 0.35 0.65 0.11 0.00 0.00 0.00 178.15 179.31 2a3i h LYS 901 N -0.06 1.23 -0.70 2.37 1.57 -0.77 -1.19 116.57 119.03 2a3i h LYS 901 Ca 0.03 -0.07 0.04 0.00 -1.87 0.00 0.00 60.65 58.77 2a3i h LYS 901 Cb 0.59 -0.28 -0.05 0.00 0.08 0.00 0.00 32.23 32.57 2a3i h LYS 901 CO 0.03 0.81 0.43 1.49 -0.57 0.00 0.00 179.45 181.63 2a3i h GLU 902 N 1.26 0.80 -0.70 3.15 4.57 -0.45 -0.22 114.58 123.00 2a3i h GLU 902 Ca 0.40 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.49 2a3i h GLU 902 Cb 0.00 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.38 2a3i h GLU 902 CO -0.13 0.53 0.29 1.25 -1.18 0.00 0.00 179.01 179.78 2a3i h LEU 903 N 0.82 0.93 -1.23 1.64 5.85 -0.24 -1.16 115.31 121.92 2a3i h LEU 903 Ca 0.29 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2a3i h LEU 903 Cb 0.06 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 2a3i h LEU 903 CO -0.12 0.82 0.46 -0.09 -0.34 0.00 0.00 178.44 179.16 2a3i h ARG 904 N 1.00 0.98 -0.04 1.25 9.65 -0.02 0.52 114.38 127.72 2a3i h ARG 904 Ca 0.24 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 59.04 2a3i h ARG 904 Cb 0.17 -0.21 -0.00 0.00 -1.39 0.00 0.00 29.97 28.54 2a3i h ARG 904 CO -0.02 0.67 0.01 0.87 2.80 0.00 0.00 179.97 184.29 2a3i h LYS 905 N 1.00 0.06 -0.63 0.20 1.57 0.06 -3.09 116.57 115.75 2a3i h LYS 905 Ca 0.26 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2a3i h LYS 905 Cb -0.07 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 2a3i h LYS 905 CO -0.05 0.29 0.37 0.52 -0.57 0.00 0.00 179.45 180.02 2a3i h MET 906 N -0.18 0.86 0.00 3.15 2.86 -0.81 -1.88 114.93 118.91 2a3i h MET 906 Ca 0.01 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2a3i h MET 906 Cb 0.26 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2a3i h MET 906 CO 0.00 0.62 0.00 1.55 1.06 0.00 0.00 176.91 180.14 2a3i n VAL 907 N -4.59 1.16 0.01 -2.22 3.14 0.13 -0.51 118.33 115.45 2a3i n VAL 907 Ca 0.05 0.57 -0.04 0.00 -2.96 0.00 0.00 64.34 61.95 2a3i n VAL 907 Cb 0.06 -1.54 -0.11 0.00 -1.06 0.00 0.00 33.84 31.19 2a3i n VAL 907 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 2a3i h THR 908 N 0.00 0.69 0.00 1.55 2.02 -1.26 -3.40 112.91 112.50 2a3i h THR 908 Ca 0.00 -2.35 0.00 0.00 0.77 0.00 0.00 66.41 64.83 2a3i h THR 908 Cb 0.09 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 2a3i h THR 908 CO 0.00 0.39 0.00 1.17 0.37 0.00 0.00 175.52 177.45 2a3i n LYS 909 N -2.98 0.00 0.00 6.66 4.81 0.34 -3.98 118.16 123.00 2a3i n LYS 909 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.32 2a3i n LYS 909 Cb 0.94 -0.06 0.00 0.00 0.02 0.00 0.00 35.03 35.93 2a3i n LYS 909 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2a3i n PRO 911 N -2.35 0.00 0.00 0.00 -0.04 -1.26 -5.12 135.00 126.23 2a3i n PRO 911 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2a3i n PRO 911 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2a3i n PRO 911 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2a3i n ASN 912 N 0.00 0.00 -3.36 3.54 0.23 -1.25 -5.05 115.26 109.36 2a3i n ASN 912 Ca 0.00 0.00 -0.23 0.00 -0.53 0.00 0.00 54.58 53.82 2a3i n ASN 912 Cb 0.00 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 37.72 2a3i n ASN 912 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2a3i n ASN 913 N 0.00 -5.98 -0.03 0.53 5.03 -1.26 -4.14 115.26 109.41 2a3i n ASN 913 Ca 0.00 0.09 0.00 0.00 0.87 0.00 0.00 54.58 55.55 2a3i n ASN 913 Cb 0.00 -1.70 0.01 0.00 -1.02 0.00 0.00 39.78 37.07 2a3i n ASN 913 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2a3i n SER 914 N 0.42 -0.03 -0.12 6.41 7.64 -1.26 0.92 113.62 127.60 2a3i n SER 914 Ca -0.05 0.12 -0.10 0.00 1.01 0.00 0.00 58.87 59.85 2a3i n SER 914 Cb 0.60 -0.04 -0.05 0.00 -1.01 0.00 0.00 64.21 63.72 2a3i n SER 914 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2a3i h GLY 915 N 0.00 -0.59 -6.75 0.23 0.00 -2.02 -2.82 103.07 91.12 2a3i h GLY 915 Ca 0.03 0.55 -0.72 0.00 0.00 0.00 0.00 47.33 47.19 2a3i h GLY 915 CO -0.07 -0.18 2.35 0.61 0.00 0.00 0.00 176.54 179.24 2a3i n GLN 916 N -5.41 3.24 0.00 4.80 10.64 0.26 -2.41 117.38 128.50 2a3i n GLN 916 Ca -0.01 -3.21 0.00 0.00 -1.83 0.00 0.00 57.00 51.95 2a3i n GLN 916 Cb 0.35 -3.18 0.00 0.00 -0.86 0.00 0.00 30.24 26.56 2a3i n GLN 916 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2a3i n SER 917 N 5.75 0.00 -0.06 2.61 7.64 -1.13 -4.10 113.62 124.33 2a3i n SER 917 Ca 0.45 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 60.23 2a3i n SER 917 Cb 0.40 0.09 -0.04 0.00 -1.01 0.00 0.00 64.21 63.64 2a3i n SER 917 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 2a3i h TRP 918 N 0.00 0.31 -0.23 1.43 -0.00 -1.24 -1.01 115.95 115.21 2a3i h TRP 918 Ca 0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.89 58.84 2a3i h TRP 918 Cb 0.00 -0.09 -0.01 0.00 -0.00 0.00 0.00 29.16 29.06 2a3i h TRP 918 CO 0.00 0.37 0.05 0.37 -0.00 0.00 0.00 178.44 179.23 2a3i h GLN 919 N 0.17 0.37 -0.59 0.49 4.15 -1.75 -2.77 115.11 115.18 2a3i h GLN 919 Ca 0.07 -0.09 -0.10 0.00 0.77 0.00 0.00 58.65 59.30 2a3i h GLN 919 Cb 0.19 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 2a3i h GLN 919 CO -0.00 0.49 -0.02 -0.09 -1.93 0.00 0.00 178.83 177.27 2a3i h ARG 920 N 0.19 1.04 -0.96 1.69 2.43 -1.81 -1.31 114.38 115.65 2a3i h ARG 920 Ca 0.07 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 2a3i h ARG 920 Cb 0.28 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.70 2a3i h ARG 920 CO 0.00 1.03 0.61 0.35 -1.51 0.00 0.00 179.97 180.45 2a3i h PHE 921 N 0.95 1.24 -0.21 2.20 3.57 -1.17 0.76 116.94 124.28 2a3i h PHE 921 Ca 0.16 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 2a3i h PHE 921 Cb 0.58 -0.41 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 2a3i h PHE 921 CO 0.04 0.80 0.08 -0.92 -2.23 0.00 0.00 178.31 176.08 2a3i h TYR 922 N 1.32 0.32 -0.79 0.41 3.20 -1.17 -1.89 116.97 118.37 2a3i h TYR 922 Ca 0.35 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.16 2a3i h TYR 922 Cb -0.10 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.04 2a3i h TYR 922 CO 0.00 0.38 0.36 1.96 -1.64 0.00 0.00 178.16 179.22 2a3i h GLN 923 N 0.18 1.16 -0.27 1.82 4.20 -0.58 -0.82 115.11 120.80 2a3i h GLN 923 Ca 0.07 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.54 2a3i h GLN 923 Cb 0.20 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2a3i h GLN 923 CO -0.00 0.91 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.96 2a3i h LEU 924 N 1.13 0.49 -1.30 1.46 3.38 -0.80 -0.40 115.31 119.27 2a3i h LEU 924 Ca 0.27 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 2a3i h LEU 924 Cb 0.16 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2a3i h LEU 924 CO -0.03 0.72 -0.28 0.71 0.09 0.00 0.00 178.44 179.65 2a3i h THR 925 N 0.26 0.81 -0.05 0.22 1.35 -1.22 -0.49 112.91 113.78 2a3i h THR 925 Ca 0.07 -1.13 -0.17 0.00 -0.55 0.00 0.00 66.41 64.63 2a3i h THR 925 Cb 0.49 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.59 2a3i h THR 925 CO 0.02 0.27 -0.73 0.50 -0.25 0.00 0.00 175.52 175.33 2a3i h LYS 926 N 0.00 0.27 -0.30 4.72 1.63 -0.89 -2.20 116.57 119.80 2a3i h LYS 926 Ca -0.00 -0.23 -0.11 0.00 -0.85 0.00 0.00 60.65 59.46 2a3i h LYS 926 Cb 0.67 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.34 2a3i h LYS 926 CO 0.04 0.89 -0.23 1.25 -3.45 0.00 0.00 179.45 177.94 2a3i h LEU 927 N 0.18 0.72 -0.93 5.20 6.46 -0.16 -2.07 115.31 124.70 2a3i h LEU 927 Ca -0.03 -0.44 0.05 0.00 -0.12 0.00 0.00 57.88 57.34 2a3i h LEU 927 Cb 1.30 -0.20 -0.06 0.00 -0.73 0.00 0.00 40.66 40.97 2a3i h LEU 927 CO 0.12 1.01 0.60 -0.07 -0.62 0.00 0.00 178.44 179.48 2a3i h LEU 928 N 0.43 0.97 -0.76 2.25 3.38 -0.99 -1.25 115.31 119.35 2a3i h LEU 928 Ca 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2a3i h LEU 928 Cb 0.78 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 2a3i h LEU 928 CO 0.06 0.64 0.36 0.44 0.09 0.00 0.00 178.44 180.04 2a3i h ASP 929 N 1.12 1.00 0.34 -0.43 5.19 -1.22 -2.22 116.42 120.19 2a3i h ASP 929 Ca 0.39 -0.14 -0.00 0.00 -0.62 0.00 0.00 57.03 56.66 2a3i h ASP 929 Cb 0.09 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 39.35 2a3i h ASP 929 CO -0.15 0.86 -0.00 0.77 -3.12 0.00 0.00 179.24 177.59 2a3i h SER 930 N 1.07 0.00 0.38 6.45 4.64 -0.51 -1.77 113.55 123.81 2a3i h SER 930 Ca 0.26 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.52 2a3i h SER 930 Cb 0.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 2a3i h SER 930 CO -0.03 0.00 -0.27 0.24 -0.87 0.00 0.00 176.83 175.90 2a3i h MET 931 N 0.00 0.00 -0.46 4.77 2.86 -1.02 -2.94 114.93 118.15 2a3i h MET 931 Ca -0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2a3i h MET 931 Cb 0.17 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 2a3i h MET 931 CO 0.00 0.27 0.20 0.45 1.06 0.00 0.00 176.91 178.89 2a3i h HIS 932 N 0.00 0.69 -0.50 -0.22 3.86 -1.43 0.29 115.15 117.84 2a3i h HIS 932 Ca -0.00 -0.05 -0.09 0.00 -1.16 0.00 0.00 60.37 59.07 2a3i h HIS 932 Cb 0.54 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 2a3i h HIS 932 CO 0.00 0.58 -0.02 0.38 0.86 0.00 0.00 177.93 179.73 2a3i h ASP 933 N 0.60 0.89 -0.04 2.45 3.04 -1.68 -1.31 116.42 120.38 2a3i h ASP 933 Ca 0.16 -0.32 -0.00 0.00 -3.24 0.00 0.00 57.03 53.62 2a3i h ASP 933 Cb 0.17 -0.24 -0.00 0.00 -1.04 0.00 0.00 39.33 38.22 2a3i h ASP 933 CO -0.01 0.99 0.02 0.25 -2.04 0.00 0.00 179.24 178.44 2a3i h LEU 934 N 0.76 0.06 -1.61 0.15 5.85 -1.38 -2.79 115.31 116.35 2a3i h LEU 934 Ca 0.14 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 2a3i h LEU 934 Cb 0.55 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 2a3i h LEU 934 CO 0.03 0.22 0.20 0.58 -0.34 0.00 0.00 178.44 179.13 2a3i h VAL 935 N -0.11 1.10 -0.79 1.05 2.07 -0.86 -0.55 116.25 118.16 2a3i h VAL 935 Ca 0.01 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 2a3i h VAL 935 Cb 0.18 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 2a3i h VAL 935 CO -0.00 0.11 0.48 -1.28 0.02 0.00 0.00 177.57 176.90 2a3i h SER 936 N 0.47 0.95 -0.12 0.57 0.87 -0.98 0.14 113.55 115.47 2a3i h SER 936 Ca 0.13 -0.06 -0.22 0.00 -1.23 0.00 0.00 61.79 60.40 2a3i h SER 936 Cb -0.01 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 61.72 2a3i h SER 936 CO -0.02 0.74 -0.77 0.44 -0.53 0.00 0.00 176.83 176.68 2a3i h ASP 937 N 1.09 0.91 -0.29 6.23 3.32 -1.07 -2.46 116.42 124.14 2a3i h ASP 937 Ca 0.28 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2a3i h ASP 937 Cb -0.04 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 2a3i h ASP 937 CO -0.05 1.39 0.19 -0.07 -1.72 0.00 0.00 179.24 178.98 2a3i h LEU 938 N 0.52 0.33 -1.13 1.55 3.38 -0.76 -2.69 115.31 116.52 2a3i h LEU 938 Ca -0.05 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 2a3i h LEU 938 Cb 1.40 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 2a3i h LEU 938 CO 0.16 0.24 0.03 -0.07 0.09 0.00 0.00 178.44 178.89 2a3i h LEU 939 N 0.39 0.60 -0.64 1.67 3.38 -0.74 -0.34 115.31 119.64 2a3i h LEU 939 Ca 0.11 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2a3i h LEU 939 Cb -0.04 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2a3i h LEU 939 CO -0.02 0.65 0.36 -0.08 0.09 0.00 0.00 178.44 179.44 2a3i h GLU 940 N 0.61 0.88 -0.23 1.13 4.81 -1.15 0.20 114.58 120.83 2a3i h GLU 940 Ca 0.13 -0.09 -0.17 0.00 -0.13 0.00 0.00 59.36 59.10 2a3i h GLU 940 Cb 0.34 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 2a3i h GLU 940 CO 0.01 0.65 -0.53 0.35 -0.73 0.00 0.00 179.01 178.76 2a3i h PHE 941 N 0.87 0.84 -0.11 0.92 3.04 -1.19 -2.50 116.94 118.82 2a3i h PHE 941 Ca 0.23 -0.29 -0.01 0.00 3.98 0.00 0.00 57.97 61.88 2a3i h PHE 941 Cb 0.02 -0.16 -0.00 0.00 2.56 0.00 0.00 35.95 38.36 2a3i h PHE 941 CO -0.01 1.06 0.05 0.00 -2.02 0.00 0.00 178.31 177.39 2a3i h PHE 943 N 0.03 0.41 0.14 0.00 0.04 -0.64 -1.01 116.94 115.92 2a3i h PHE 943 Ca 0.04 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 2a3i h PHE 943 Cb 0.15 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.18 2a3i h PHE 943 CO -0.02 0.44 -0.07 -0.92 -0.60 0.00 0.00 178.31 177.14 2a3i h TYR 944 N 0.39 -0.18 0.00 -0.55 3.20 -1.16 -1.43 116.97 117.25 2a3i h TYR 944 Ca 0.09 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 2a3i h TYR 944 Cb 0.30 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 2a3i h TYR 944 CO 0.01 0.14 -0.23 1.79 -1.64 0.00 0.00 178.16 178.23 2a3i h THR 945 N -0.50 0.88 -0.11 1.81 1.35 -1.07 0.26 112.91 115.54 2a3i h THR 945 Ca -0.02 -0.87 -0.04 0.00 -0.55 0.00 0.00 66.41 64.93 2a3i h THR 945 Cb 0.40 1.51 -0.00 0.00 -1.73 0.00 0.00 68.15 68.33 2a3i h THR 945 CO 0.03 0.22 -0.07 0.15 -0.25 0.00 0.00 175.52 175.60 2a3i h PHE 946 N 0.00 0.28 -0.76 4.73 3.57 -1.08 0.24 116.94 123.91 2a3i h PHE 946 Ca -0.00 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.37 2a3i h PHE 946 Cb 0.49 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 2a3i h PHE 946 CO 0.00 0.62 0.28 0.00 -2.23 0.00 0.00 178.31 176.97 2a3i h ARG 947 N -0.14 1.16 -0.63 1.11 3.08 -0.86 -2.86 114.38 115.24 2a3i h ARG 947 Ca 0.02 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.84 2a3i h ARG 947 Cb 0.55 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2a3i h ARG 947 CO 0.02 0.96 0.00 0.39 -1.07 0.00 0.00 179.97 180.27 2a3i n GLU 948 N -4.28 4.25 -0.31 0.04 -0.58 0.05 -4.64 120.64 115.16 2a3i n GLU 948 Ca 0.06 -2.86 0.12 0.00 -0.42 0.00 0.00 57.16 54.06 2a3i n GLU 948 Cb 0.20 -2.09 0.30 0.00 -0.57 0.00 0.00 31.44 29.29 2a3i n GLU 948 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2a3i h SER 949 N 3.81 0.47 -0.24 1.62 0.87 -0.27 -0.59 113.55 119.22 2a3i h SER 949 Ca 0.00 0.13 -0.08 0.00 -1.23 0.00 0.00 61.79 60.61 2a3i h SER 949 Cb 1.70 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.73 2a3i h SER 949 CO 0.37 0.09 -0.17 -0.74 -0.53 0.00 0.00 176.83 175.85 2a3i h HIS 950 N 0.51 0.65 -0.00 2.24 -0.00 -1.85 -0.23 115.15 116.47 2a3i h HIS 950 Ca 0.55 -0.18 -0.15 0.00 -0.00 0.00 0.00 60.37 60.59 2a3i h HIS 950 Cb 0.97 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 28.22 2a3i h HIS 950 CO -0.09 0.85 -0.71 0.00 -0.00 0.00 0.00 177.93 177.98 2a3i h ALA 951 N 0.70 0.83 0.00 5.26 0.00 -1.78 -3.19 119.26 121.08 2a3i h ALA 951 Ca 0.05 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2a3i h ALA 951 Cb 0.71 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2a3i h ALA 951 CO 0.05 0.88 -0.75 1.28 0.00 0.00 0.00 179.25 180.71 2a3i n LEU 952 N -3.70 0.63 -2.10 0.00 4.77 -0.28 -4.96 117.00 111.36 2a3i n LEU 952 Ca -0.01 0.08 -0.16 0.00 -0.03 0.00 0.00 56.01 55.89 2a3i n LEU 952 Cb 0.69 -0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.63 2a3i n LEU 952 CO 0.43 0.02 -0.09 0.29 -1.33 0.00 0.00 177.39 176.71 2a3i n LYS 953 N -1.92 -2.62 -3.39 3.23 5.02 -0.15 -4.77 118.16 113.56 2a3i n LYS 953 Ca 0.03 0.73 -0.42 0.00 -2.02 0.00 0.00 58.31 56.63 2a3i n LYS 953 Cb 0.41 -5.12 -0.09 0.00 -0.02 0.00 0.00 35.03 30.21 2a3i n LYS 953 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2a3i s VAL 954 N -2.92 5.16 0.37 -0.18 1.01 -0.91 -4.86 120.40 118.08 2a3i s VAL 954 Ca 0.13 -0.23 -0.22 0.00 0.00 0.00 0.00 61.98 61.66 2a3i s VAL 954 Cb -0.06 -3.91 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 2a3i s VAL 954 CO 0.16 -0.24 0.92 -1.61 0.00 0.00 0.00 175.10 174.33 2a3i s GLU 955 N 1.98 4.34 -0.04 2.72 2.02 -1.26 -4.71 118.70 123.76 2a3i s GLU 955 Ca 0.10 1.14 0.03 0.00 0.02 0.00 0.00 54.97 56.26 2a3i s GLU 955 Cb -0.17 -2.46 0.01 0.00 0.10 0.00 0.00 34.13 31.61 2a3i s GLU 955 CO 0.12 0.12 -0.10 -0.06 0.02 0.00 0.00 175.26 175.36 2a3i s PHE 956 N -1.93 1.12 0.61 1.61 0.40 -1.26 -4.53 117.98 114.00 2a3i s PHE 956 Ca 0.56 -0.31 -0.14 0.00 -0.60 0.00 0.00 56.93 56.44 2a3i s PHE 956 Cb -0.13 -0.81 -0.03 0.00 0.51 0.00 0.00 43.02 42.56 2a3i s PHE 956 CO 0.18 -0.14 1.04 -1.25 0.70 0.00 0.00 175.22 175.74 2a3i s PRO 957 N 0.30 3.38 0.32 0.24 0.04 -1.26 -4.77 135.00 133.25 2a3i s PRO 957 Ca -0.06 1.03 0.10 0.00 0.04 0.00 0.00 61.00 62.11 2a3i s PRO 957 Cb -0.11 -2.05 0.91 0.00 0.04 0.00 0.00 34.50 33.30 2a3i s PRO 957 CO 0.01 -0.75 1.70 0.00 0.04 0.00 0.00 177.00 178.01 2a3i h ALA 958 N 0.13 1.77 -0.62 8.56 0.00 -1.99 0.52 119.26 127.62 2a3i h ALA 958 Ca -0.46 0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.68 2a3i h ALA 958 Cb 1.21 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 2a3i h ALA 958 CO 0.59 -0.37 0.29 1.98 0.00 0.00 0.00 179.25 181.73 2a3i h MET 959 N 0.47 0.50 0.07 0.00 1.85 -1.92 -1.70 114.93 114.21 2a3i h MET 959 Ca 0.65 -0.03 -0.25 0.00 -0.61 0.00 0.00 59.70 59.47 2a3i h MET 959 Cb 1.32 -0.11 0.00 0.00 0.43 0.00 0.00 31.60 33.24 2a3i h MET 959 CO -0.53 0.33 -1.10 -0.07 -0.40 0.00 0.00 176.91 175.15 2a3i h LEU 960 N 0.52 0.44 -0.32 3.39 4.07 -1.31 -3.02 115.31 119.08 2a3i h LEU 960 Ca 0.30 -0.42 0.05 0.00 0.08 0.00 0.00 57.88 57.89 2a3i h LEU 960 Cb 0.30 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 41.86 2a3i h LEU 960 CO -0.25 1.27 0.07 0.58 -1.08 0.00 0.00 178.44 179.03 2a3i h VAL 961 N 0.13 0.85 0.24 1.22 2.07 -0.86 0.36 116.25 120.26 2a3i h VAL 961 Ca -0.10 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2a3i h VAL 961 Cb 1.78 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 32.19 2a3i h VAL 961 CO 0.18 0.03 -0.13 -0.33 0.02 0.00 0.00 177.57 177.34 2a3i h GLU 962 N 0.19 -0.34 0.39 1.57 5.08 -1.38 -0.93 114.58 119.15 2a3i h GLU 962 Ca 0.15 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 2a3i h GLU 962 Cb 0.16 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2a3i h GLU 962 CO -0.19 -0.23 -0.19 0.82 -1.00 0.00 0.00 179.01 178.22 2a3i h ILE 963 N -0.35 0.62 -0.78 3.13 2.04 -1.36 -3.00 117.51 117.80 2a3i h ILE 963 Ca -0.03 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.83 2a3i h ILE 963 Cb 0.28 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 2a3i h ILE 963 CO 0.04 0.00 0.52 0.40 0.00 0.00 0.00 178.15 179.11 2a3i h ILE 964 N -0.53 1.20 -0.54 -0.67 2.04 -0.96 0.61 117.51 118.66 2a3i h ILE 964 Ca -0.05 -0.37 0.11 0.00 1.00 0.00 0.00 64.86 65.55 2a3i h ILE 964 Cb 0.41 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 2a3i h ILE 964 CO 0.09 0.19 0.37 0.28 0.00 0.00 0.00 178.15 179.09 2a3i h SER 965 N 1.06 0.22 0.11 1.72 0.02 -1.11 0.34 113.55 115.92 2a3i h SER 965 Ca 0.29 0.01 -0.31 0.00 -0.84 0.00 0.00 61.79 60.94 2a3i h SER 965 Cb -0.12 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 2a3i h SER 965 CO -0.06 0.13 -1.61 0.44 -1.14 0.00 0.00 176.83 174.58 2a3i h ASP 966 N 0.24 0.38 -0.29 3.07 5.19 -1.24 -3.40 116.42 120.37 2a3i h ASP 966 Ca 0.26 -0.85 -0.05 0.00 -0.62 0.00 0.00 57.03 55.76 2a3i h ASP 966 Cb 0.69 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.06 2a3i h ASP 966 CO -0.05 1.70 -0.02 -0.61 -3.12 0.00 0.00 179.24 177.14 2a3i h GLN 967 N -0.22 0.53 -0.17 3.56 4.15 -0.48 -3.33 115.11 119.15 2a3i h GLN 967 Ca -0.35 -0.18 0.05 0.00 0.77 0.00 0.00 58.65 58.94 2a3i h GLN 967 Cb 1.83 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 29.41 2a3i h GLN 967 CO 0.05 0.70 -0.28 1.25 -1.93 0.00 0.00 178.83 178.61 2a3i h LEU 968 N 0.31 -0.88 -0.61 -2.39 6.46 -1.15 -1.21 115.31 115.84 2a3i h LEU 968 Ca 0.08 0.14 0.09 0.00 -0.12 0.00 0.00 57.88 58.07 2a3i h LEU 968 Cb 0.47 0.39 -0.07 0.00 -0.73 0.00 0.00 40.66 40.72 2a3i h LEU 968 CO 0.02 -0.32 0.23 -0.65 -0.62 0.00 0.00 178.44 177.10 2a3i h PRO 969 N -0.33 0.40 0.07 5.25 0.11 -1.77 -0.73 132.00 135.00 2a3i h PRO 969 Ca 0.11 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.19 2a3i h PRO 969 Cb 0.50 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.52 2a3i h PRO 969 CO -0.36 0.27 -0.03 0.87 -0.21 0.00 0.00 178.00 178.54 2a3i h LYS 970 N 0.41 -0.09 -0.81 1.05 1.57 -1.60 -2.65 116.57 114.45 2a3i h LYS 970 Ca 0.30 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.08 2a3i h LYS 970 Cb 0.37 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 2a3i h LYS 970 CO -0.30 0.13 0.48 0.28 -0.57 0.00 0.00 179.45 179.47 2a3i h VAL 971 N -0.31 1.23 0.00 0.50 2.07 -1.00 -1.58 116.25 117.17 2a3i h VAL 971 Ca -0.01 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2a3i h VAL 971 Cb 0.27 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2a3i h VAL 971 CO 0.02 0.24 0.00 -0.62 0.02 0.00 0.00 177.57 177.23 2a3i n GLU 972 N -4.45 0.18 -0.09 1.57 1.02 -0.30 -2.57 120.64 116.00 2a3i n GLU 972 Ca 0.08 0.30 0.12 0.00 -0.02 0.00 0.00 57.16 57.64 2a3i n GLU 972 Cb 0.07 -1.78 0.20 0.00 -0.02 0.00 0.00 31.44 29.90 2a3i n GLU 972 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2a3i n SER 973 N -2.11 3.02 -0.04 1.62 3.41 -0.92 -4.95 113.62 113.65 2a3i n SER 973 Ca 0.04 -1.95 -0.01 0.00 -0.26 0.00 0.00 58.87 56.70 2a3i n SER 973 Cb 0.30 -0.12 -0.00 0.00 -0.26 0.00 0.00 64.21 64.13 2a3i n SER 973 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2a3i n GLY 974 N 1.40 0.46 0.22 5.00 0.00 -1.06 -4.93 105.19 106.28 2a3i n GLY 974 Ca 0.17 -0.59 0.11 0.00 0.00 0.00 0.00 46.02 45.70 2a3i n GLY 974 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2a3i h ASN 975 N 0.00 0.00 -3.85 1.61 -0.00 -1.53 -3.45 115.58 108.36 2a3i h ASN 975 Ca -0.01 0.00 -0.50 0.00 -0.00 0.00 0.00 56.30 55.79 2a3i h ASN 975 Cb 0.06 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 38.39 2a3i h ASN 975 CO 0.02 0.19 0.44 0.00 -0.00 0.00 0.00 177.43 178.08 2a3i s ALA 976 N -3.56 3.30 -0.32 1.57 0.00 -1.26 0.50 121.76 121.99 2a3i s ALA 976 Ca 0.01 0.80 0.01 0.00 0.00 0.00 0.00 51.96 52.78 2a3i s ALA 976 Cb 0.09 -3.29 0.10 0.00 0.00 0.00 0.00 23.12 20.02 2a3i s ALA 976 CO 0.63 -0.12 0.08 0.21 0.00 0.00 0.00 175.76 176.56 2a3i s LYS 977 N -1.72 0.96 0.27 0.00 2.20 0.10 -4.73 119.74 116.81 2a3i s LYS 977 Ca 0.48 -1.31 -0.29 0.00 -0.36 0.00 0.00 55.97 54.48 2a3i s LYS 977 Cb -0.28 -2.37 -0.09 0.00 -1.51 0.00 0.00 37.83 33.57 2a3i s LYS 977 CO 0.36 -0.96 1.18 -2.14 -0.36 0.00 0.00 175.35 173.43 2a3i s PRO 978 N 1.40 4.52 -0.19 4.03 0.02 -1.26 -1.91 135.00 141.60 2a3i s PRO 978 Ca 0.10 1.94 -0.10 0.00 0.02 0.00 0.00 61.00 62.95 2a3i s PRO 978 Cb -0.18 -3.17 -0.05 0.00 0.02 0.00 0.00 34.50 31.12 2a3i s PRO 978 CO -0.19 0.02 0.14 -0.51 -0.33 0.00 0.00 177.00 176.12 2a3i s LEU 979 N -1.20 4.23 0.15 -5.54 1.43 0.14 -4.97 118.68 112.92 2a3i s LEU 979 Ca 0.48 0.26 0.09 0.00 -1.03 0.00 0.00 54.13 53.93 2a3i s LEU 979 Cb -0.34 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 2a3i s LEU 979 CO 0.43 0.20 -0.12 -0.31 0.23 0.00 0.00 176.35 176.78 2a3i s TYR 980 N 0.24 2.62 -0.07 0.29 1.51 -1.26 -4.89 117.35 115.79 2a3i s TYR 980 Ca 0.09 -0.22 0.12 0.00 -1.01 0.00 0.00 57.07 56.04 2a3i s TYR 980 Cb -0.11 -1.32 -0.23 0.00 -0.11 0.00 0.00 41.96 40.19 2a3i s TYR 980 CO -0.01 0.47 0.57 1.19 -1.11 0.00 0.00 175.55 176.66 2a3i n PHE 981 N 0.32 0.90 -3.50 2.71 3.72 -1.26 -4.85 117.46 115.50 2a3i n PHE 981 Ca -0.12 0.31 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 2a3i n PHE 981 Cb 0.54 -1.16 0.00 0.00 -0.94 0.00 0.00 39.48 37.92 2a3i n PHE 981 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 2a3i n HIS 982 N -3.05 0.00 -0.57 1.38 8.25 -1.26 -4.92 115.22 115.05 2a3i n HIS 982 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 2a3i n HIS 982 Cb 1.06 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.17 2a3i n HIS 982 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 2a3i n ARG 983 N 0.00 -0.04 0.00 -0.41 -4.01 -1.26 -5.12 116.66 105.81 2a3i n ARG 983 Ca 0.00 -0.02 0.10 0.00 -1.04 0.00 0.00 57.85 56.89 2a3i n ARG 983 Cb 0.00 0.04 0.09 0.00 -3.04 0.00 0.00 32.46 29.55 2a3i n ARG 983 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76