#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b7b h PRO 745 N 0.00 0.76 -0.64 -1.46 0.11 -2.03 -1.90 132.00 126.84 3b7b h PRO 745 Ca 0.00 -0.07 0.12 0.00 0.11 0.00 0.00 66.00 66.15 3b7b h PRO 745 Cb 0.00 -0.16 -0.09 0.00 0.11 0.00 0.00 31.00 30.87 3b7b h PRO 745 CO 0.00 0.55 0.19 1.25 -0.21 0.00 0.00 178.00 179.79 3b7b h LEU 746 N 0.75 0.12 -0.12 2.35 6.46 -1.96 0.45 115.31 123.36 3b7b h LEU 746 Ca 0.20 0.10 0.03 0.00 -0.12 0.00 0.00 57.88 58.10 3b7b h LEU 746 Cb -0.01 0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.00 3b7b h LEU 746 CO -0.04 0.06 -0.09 0.45 -0.62 0.00 0.00 178.44 178.21 3b7b h HIS 747 N 0.34 -0.22 -0.92 1.25 3.86 -1.82 0.96 115.15 118.60 3b7b h HIS 747 Ca 0.34 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.60 3b7b h HIS 747 Cb 0.49 0.12 -0.06 0.00 1.06 0.00 0.00 27.41 29.02 3b7b h HIS 747 CO -0.21 -0.14 0.59 0.00 0.86 0.00 0.00 177.93 179.04 3b7b h ALA 748 N 1.00 1.23 -0.21 2.45 0.00 -0.29 0.18 119.26 123.62 3b7b h ALA 748 Ca 0.08 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3b7b h ALA 748 Cb 0.21 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3b7b h ALA 748 CO -0.18 0.44 -0.13 0.00 0.00 0.00 0.00 179.25 179.38 3b7b h ALA 749 N 1.39 0.29 -0.35 0.00 0.00 0.34 -2.64 119.26 118.30 3b7b h ALA 749 Ca 0.37 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3b7b h ALA 749 Cb 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3b7b h ALA 749 CO -0.13 0.16 -0.21 0.00 0.00 0.00 0.00 179.25 179.07 3b7b h ALA 750 N 0.68 0.98 -0.60 0.00 0.00 -0.52 -1.57 119.26 118.23 3b7b h ALA 750 Ca 0.04 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 3b7b h ALA 750 Cb 0.64 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3b7b h ALA 750 CO 0.04 0.60 0.19 1.49 0.00 0.00 0.00 179.25 181.56 3b7b h GLU 751 N 0.60 0.90 -0.08 0.00 4.81 -0.61 -2.65 114.58 117.55 3b7b h GLU 751 Ca 0.09 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3b7b h GLU 751 Cb 0.68 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.92 3b7b h GLU 751 CO 0.05 0.78 0.00 0.00 -0.73 0.00 0.00 179.01 179.11 3b7b n ALA 752 N -2.46 2.55 -1.03 2.92 0.00 -1.00 -4.78 120.51 116.72 3b7b n ALA 752 Ca 0.05 -0.47 -0.01 0.00 0.00 0.00 0.00 53.44 53.00 3b7b n ALA 752 Cb 0.21 -1.14 -0.00 0.00 0.00 0.00 0.00 19.45 18.52 3b7b n ALA 752 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b7b n GLY 753 N 1.15 0.38 3.56 0.00 0.00 -0.68 -4.95 105.19 104.65 3b7b n GLY 753 Ca 0.18 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 3b7b n GLY 753 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3b7b s HIS 754 N -1.66 2.29 0.34 1.61 3.76 -0.69 -4.64 115.29 116.30 3b7b s HIS 754 Ca 0.00 -0.33 0.03 0.00 -0.15 0.00 0.00 55.06 54.61 3b7b s HIS 754 Cb 0.00 -4.50 0.65 0.00 1.11 0.00 0.00 32.58 29.84 3b7b s HIS 754 CO 0.00 -1.92 1.96 0.28 -0.85 0.00 0.00 174.74 174.22 3b7b h VAL 755 N 6.85 1.08 0.69 -0.90 2.07 -1.92 -2.25 116.25 121.86 3b7b h VAL 755 Ca 0.11 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 3b7b h VAL 755 Cb 1.02 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3b7b h VAL 755 CO 1.35 0.16 -0.40 -0.78 0.02 0.00 0.00 177.57 177.92 3b7b h ASP 756 N 0.86 -1.00 -0.59 0.57 3.58 -1.98 0.20 116.42 118.05 3b7b h ASP 756 Ca 0.31 0.05 0.10 0.00 0.42 0.00 0.00 57.03 57.91 3b7b h ASP 756 Cb 0.13 0.29 -0.08 0.00 1.72 0.00 0.00 39.33 41.39 3b7b h ASP 756 CO -0.09 -0.64 0.18 0.40 -2.88 0.00 0.00 179.24 176.21 3b7b h ILE 757 N -1.02 0.72 -0.18 2.25 2.04 -1.93 0.11 117.51 119.50 3b7b h ILE 757 Ca -0.09 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.71 3b7b h ILE 757 Cb 0.82 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 3b7b h ILE 757 CO 0.10 0.06 -0.21 0.00 0.00 0.00 0.00 178.15 178.10 3b7b h HIS 759 N -0.24 0.10 -0.74 0.00 -0.00 -0.05 -0.23 115.15 113.98 3b7b h HIS 759 Ca 0.12 0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.53 3b7b h HIS 759 Cb 0.41 -0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 27.75 3b7b h HIS 759 CO -0.34 0.06 0.49 0.52 -0.00 0.00 0.00 177.93 178.66 3b7b h MET 760 N 0.11 0.86 -0.14 5.26 2.07 -0.09 -0.30 114.93 122.71 3b7b h MET 760 Ca 0.04 -0.05 -0.18 0.00 -2.07 0.00 0.00 59.70 57.44 3b7b h MET 760 Cb 0.00 -0.19 0.01 0.00 -1.87 0.00 0.00 31.60 29.55 3b7b h MET 760 CO -0.03 0.57 -0.61 -0.07 1.07 0.00 0.00 176.91 177.85 3b7b h LEU 761 N 0.89 0.77 -1.84 1.22 3.38 -0.29 -1.08 115.31 118.36 3b7b h LEU 761 Ca 0.30 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3b7b h LEU 761 Cb 0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3b7b h LEU 761 CO -0.09 1.27 0.09 0.58 0.09 0.00 0.00 178.44 180.39 3b7b h VAL 762 N 0.33 1.04 0.06 1.22 2.07 -0.54 -0.34 116.25 120.09 3b7b h VAL 762 Ca -0.04 -0.09 -0.25 0.00 0.82 0.00 0.00 66.70 67.14 3b7b h VAL 762 Cb 1.24 0.83 0.01 0.00 -1.52 0.00 0.00 31.29 31.85 3b7b h VAL 762 CO 0.13 0.04 -1.08 -0.61 0.02 0.00 0.00 177.57 176.07 3b7b h GLN 763 N 0.21 0.44 0.00 1.57 5.75 -0.95 -3.07 115.11 119.06 3b7b h GLN 763 Ca 0.06 -0.54 0.00 0.00 -0.15 0.00 0.00 58.65 58.01 3b7b h GLN 763 Cb -0.01 0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.71 3b7b h GLN 763 CO -0.01 1.20 0.00 0.00 -2.65 0.00 0.00 178.83 177.37 3b7b n ALA 764 N -2.57 1.45 0.00 3.38 0.00 -0.42 -4.82 120.51 117.53 3b7b n ALA 764 Ca -0.09 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3b7b n ALA 764 Cb 0.91 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3b7b n ALA 764 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b7b n GLY 765 N -0.46 0.92 3.29 0.00 0.00 -0.85 -5.08 105.19 103.02 3b7b n GLY 765 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3b7b n GLY 765 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b7b n ALA 766 N -0.66 -3.42 -2.52 4.61 0.00 -0.24 -4.89 120.51 113.38 3b7b n ALA 766 Ca 0.00 -0.61 -0.42 0.00 0.00 0.00 0.00 53.44 52.40 3b7b n ALA 766 Cb 0.00 -1.60 -0.08 0.00 0.00 0.00 0.00 19.45 17.77 3b7b n ALA 766 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3b7b s ASN 767 N -1.68 6.28 0.44 0.00 3.84 -1.26 -4.71 114.94 117.84 3b7b s ASN 767 Ca 0.52 -0.35 0.09 0.00 0.21 0.00 0.00 52.86 53.33 3b7b s ASN 767 Cb -0.21 -2.27 0.96 0.00 -0.55 0.00 0.00 41.25 39.17 3b7b s ASN 767 CO 0.72 -0.62 2.08 -0.29 -2.79 0.00 0.00 177.10 176.19 3b7b h ILE 768 N 5.75 1.08 -1.67 -5.21 2.10 -1.95 -3.01 117.51 114.60 3b7b h ILE 768 Ca -0.26 -0.15 -0.71 0.00 1.08 0.00 0.00 64.86 64.82 3b7b h ILE 768 Cb 1.11 0.62 -0.31 0.00 -1.09 0.00 0.00 36.82 37.14 3b7b h ILE 768 CO 0.82 0.08 0.55 0.47 -1.08 0.00 0.00 178.15 178.99 3b7b n ASP 769 N -4.49 6.81 -4.71 2.19 10.43 -1.26 -4.40 116.55 121.13 3b7b n ASP 769 Ca 0.02 -3.80 -0.38 0.00 2.57 0.00 0.00 54.79 53.20 3b7b n ASP 769 Cb 0.07 -0.88 -0.06 0.00 1.84 0.00 0.00 41.12 42.08 3b7b n ASP 769 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 3b7b s THR 770 N -5.11 5.19 0.28 -3.53 -1.32 -1.14 -5.00 115.64 105.02 3b7b s THR 770 Ca 0.53 0.86 -0.14 0.00 -1.21 0.00 0.00 61.69 61.74 3b7b s THR 770 Cb 0.44 -3.78 -0.08 0.00 -1.51 0.00 0.00 72.50 67.56 3b7b s THR 770 CO -0.28 0.30 0.67 0.00 -2.21 0.00 0.00 174.62 173.10 3b7b s SER 772 N -2.22 5.15 0.31 0.00 1.04 -1.14 -4.85 113.70 111.97 3b7b s SER 772 Ca 0.51 -0.21 0.07 0.00 0.48 0.00 0.00 55.95 56.79 3b7b s SER 772 Cb -0.11 -0.58 0.86 0.00 0.10 0.00 0.00 66.02 66.29 3b7b s SER 772 CO 0.19 -1.24 1.63 1.05 0.98 0.00 0.00 173.24 175.85 3b7b h GLU 773 N 0.05 0.17 -0.47 4.02 9.09 -1.98 1.01 114.58 126.47 3b7b h GLU 773 Ca -0.40 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.00 3b7b h GLU 773 Cb 1.29 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 3b7b h GLU 773 CO 0.48 0.11 0.00 -0.40 0.05 0.00 0.00 179.01 179.25 3b7b n ASP 774 N -5.23 1.00 -2.64 3.06 5.75 -1.26 -4.91 116.55 112.32 3b7b n ASP 774 Ca 0.26 -2.05 -0.19 0.00 -0.01 0.00 0.00 54.79 52.80 3b7b n ASP 774 Cb 0.82 -0.27 0.04 0.00 -1.03 0.00 0.00 41.12 40.68 3b7b n ASP 774 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3b7b n GLN 775 N -0.09 -4.69 -4.74 0.11 1.13 0.35 -3.87 117.38 105.58 3b7b n GLN 775 Ca 0.03 0.73 -0.33 0.00 -1.94 0.00 0.00 57.00 55.49 3b7b n GLN 775 Cb 0.21 -5.26 -0.13 0.00 0.11 0.00 0.00 30.24 25.17 3b7b n GLN 775 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3b7b s ARG 776 N -5.64 3.12 0.52 -1.09 0.52 -1.26 -4.28 118.95 110.84 3b7b s ARG 776 Ca 0.31 -0.65 -0.04 0.00 -0.52 0.00 0.00 55.73 54.83 3b7b s ARG 776 Cb -0.14 -2.60 -0.01 0.00 0.52 0.00 0.00 34.95 32.73 3b7b s ARG 776 CO 0.38 0.38 0.81 0.95 0.02 0.00 0.00 175.30 177.85 3b7b s THR 777 N -0.07 4.17 0.29 0.02 -4.23 -1.26 -2.89 115.64 111.67 3b7b s THR 777 Ca -0.01 -0.03 -0.00 0.00 -1.18 0.00 0.00 61.69 60.47 3b7b s THR 777 Cb -0.14 -3.61 0.28 0.00 1.34 0.00 0.00 72.50 70.37 3b7b s THR 777 CO 0.03 -0.58 1.90 -0.65 -0.54 0.00 0.00 174.62 174.79 3b7b h PRO 778 N 0.08 1.06 -0.93 3.99 0.11 -1.77 -1.67 132.00 132.87 3b7b h PRO 778 Ca -0.46 -0.06 0.18 0.00 0.11 0.00 0.00 66.00 65.77 3b7b h PRO 778 Cb 1.24 -0.24 -0.08 0.00 0.11 0.00 0.00 31.00 32.03 3b7b h PRO 778 CO 0.60 0.70 0.60 1.25 -0.21 0.00 0.00 178.00 180.94 3b7b h LEU 779 N 1.09 0.58 -0.39 2.35 5.85 -1.93 0.14 115.31 123.00 3b7b h LEU 779 Ca 0.40 0.05 -0.17 0.00 0.84 0.00 0.00 57.88 59.01 3b7b h LEU 779 Cb 0.18 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 3b7b h LEU 779 CO -0.15 0.24 -0.44 0.24 -0.34 0.00 0.00 178.44 177.99 3b7b h MET 780 N 0.58 0.89 -0.91 1.25 2.86 -1.68 -0.54 114.93 117.38 3b7b h MET 780 Ca 0.49 -0.50 0.04 0.00 -2.06 0.00 0.00 59.70 57.67 3b7b h MET 780 Cb 0.97 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.61 3b7b h MET 780 CO -0.23 1.14 0.60 0.93 1.06 0.00 0.00 176.91 180.40 3b7b h GLU 781 N 0.71 1.09 0.28 1.72 4.39 -0.88 0.38 114.58 122.27 3b7b h GLU 781 Ca 0.04 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 3b7b h GLU 781 Cb 1.03 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 3b7b h GLU 781 CO 0.10 0.72 -0.13 0.00 -1.16 0.00 0.00 179.01 178.54 3b7b h ALA 782 N 1.48 -0.38 -0.78 3.43 0.00 -1.14 -2.48 119.26 119.39 3b7b h ALA 782 Ca 0.37 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3b7b h ALA 782 Cb 0.05 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3b7b h ALA 782 CO -0.12 -0.45 0.49 0.00 0.00 0.00 0.00 179.25 179.17 3b7b h ALA 783 N -0.46 1.03 -0.09 0.00 0.00 -0.83 -2.05 119.26 116.86 3b7b h ALA 783 Ca -0.04 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3b7b h ALA 783 Cb 0.51 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3b7b h ALA 783 CO 0.06 0.28 -0.38 1.49 0.00 0.00 0.00 179.25 180.70 3b7b h GLU 784 N 0.94 0.18 -0.76 0.00 4.81 -0.32 -2.78 114.58 116.66 3b7b h GLU 784 Ca 0.32 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.39 3b7b h GLU 784 Cb 0.04 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 3b7b h GLU 784 CO -0.12 0.54 0.10 0.09 -0.73 0.00 0.00 179.01 178.89 3b7b n ASN 785 N -4.06 4.23 -2.49 1.04 5.03 -0.83 -4.92 115.26 113.26 3b7b n ASN 785 Ca -0.01 -2.77 -0.17 0.00 0.87 0.00 0.00 54.58 52.49 3b7b n ASN 785 Cb 0.45 -0.66 -0.01 0.00 -1.02 0.00 0.00 39.78 38.54 3b7b n ASN 785 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3b7b n ASN 786 N 0.21 -4.90 -4.08 6.41 5.15 -0.94 -4.94 115.26 112.18 3b7b n ASN 786 Ca 0.25 0.05 -0.43 0.00 -0.60 0.00 0.00 54.58 53.85 3b7b n ASN 786 Cb 1.02 -4.10 0.01 0.00 -0.53 0.00 0.00 39.78 36.18 3b7b n ASN 786 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 3b7b n HIS 787 N -3.74 3.26 -0.33 1.20 8.25 -0.87 -4.85 115.22 118.14 3b7b n HIS 787 Ca -0.18 -2.96 0.17 0.00 -0.26 0.00 0.00 57.72 54.48 3b7b n HIS 787 Cb 0.64 -1.61 0.37 0.00 1.12 0.00 0.00 29.99 30.51 3b7b n HIS 787 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3b7b h LEU 788 N 6.70 0.56 -0.70 2.41 5.85 -1.92 0.29 115.31 128.50 3b7b h LEU 788 Ca 0.26 0.15 -0.10 0.00 0.84 0.00 0.00 57.88 59.03 3b7b h LEU 788 Cb 0.69 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 3b7b h LEU 788 CO 1.34 0.06 -0.06 -0.08 -0.34 0.00 0.00 178.44 179.36 3b7b h GLU 789 N 0.51 0.94 -0.16 1.25 4.57 -1.94 0.12 114.58 119.87 3b7b h GLU 789 Ca 0.62 -0.31 -0.22 0.00 -1.18 0.00 0.00 59.36 58.27 3b7b h GLU 789 Cb 1.20 -0.08 0.01 0.00 -0.16 0.00 0.00 28.75 29.72 3b7b h GLU 789 CO -0.50 0.97 -0.77 0.00 -1.18 0.00 0.00 179.01 177.53 3b7b h ALA 790 N 1.07 0.32 -0.79 2.92 0.00 -1.24 -1.15 119.26 120.38 3b7b h ALA 790 Ca 0.15 -0.60 0.09 0.00 0.00 0.00 0.00 54.91 54.55 3b7b h ALA 790 Cb 0.58 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 3b7b h ALA 790 CO 0.04 0.68 0.44 0.28 0.00 0.00 0.00 179.25 180.69 3b7b h VAL 791 N 0.56 0.91 -0.44 0.00 2.07 -0.21 0.08 116.25 119.22 3b7b h VAL 791 Ca -0.05 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 67.12 3b7b h VAL 791 Cb 1.40 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3b7b h VAL 791 CO 0.16 0.14 -0.10 0.11 0.02 0.00 0.00 177.57 177.90 3b7b h LYS 792 N 0.75 0.84 0.56 1.57 1.57 -0.67 -2.22 116.57 118.96 3b7b h LYS 792 Ca 0.38 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3b7b h LYS 792 Cb 0.34 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.61 3b7b h LYS 792 CO -0.24 0.95 -0.27 -0.92 -0.57 0.00 0.00 179.45 178.40 3b7b h TYR 793 N 0.67 -0.69 -0.60 -1.35 3.20 0.06 0.59 116.97 118.85 3b7b h TYR 793 Ca 0.11 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.05 3b7b h TYR 793 Cb 0.63 0.23 -0.07 0.00 1.54 0.00 0.00 36.73 39.06 3b7b h TYR 793 CO 0.05 -0.39 0.24 -0.07 -1.64 0.00 0.00 178.16 176.35 3b7b h LEU 794 N -0.86 0.26 -0.39 2.82 3.38 -1.10 0.59 115.31 120.01 3b7b h LEU 794 Ca -0.08 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3b7b h LEU 794 Cb 0.61 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3b7b h LEU 794 CO 0.13 0.16 0.07 0.40 0.09 0.00 0.00 178.44 179.28 3b7b h ILE 795 N 0.43 1.24 0.00 1.22 2.04 -1.33 0.07 117.51 121.18 3b7b h ILE 795 Ca 0.30 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 3b7b h ILE 795 Cb 0.35 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3b7b h ILE 795 CO -0.28 0.29 -0.09 0.11 0.00 0.00 0.00 178.15 178.18 3b7b h LYS 796 N 0.49 0.00 -0.42 2.37 1.79 -0.09 -0.85 116.57 119.86 3b7b h LYS 796 Ca 0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 3b7b h LYS 796 Cb 0.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 3b7b h LYS 796 CO 0.01 0.09 0.00 0.00 -1.08 0.00 0.00 179.45 178.47 3b7b n ALA 797 N -2.23 2.59 -0.50 3.86 0.00 0.20 -4.89 120.51 119.52 3b7b n ALA 797 Ca -0.02 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.83 3b7b n ALA 797 Cb 0.23 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3b7b n ALA 797 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b7b n GLY 798 N 0.83 0.75 3.76 0.00 0.00 -0.32 -5.01 105.19 105.19 3b7b n GLY 798 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 3b7b n GLY 798 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b7b s ALA 799 N -2.03 3.03 0.10 4.61 0.00 -0.13 -4.91 121.76 122.43 3b7b s ALA 799 Ca 0.00 1.40 -0.31 0.00 0.00 0.00 0.00 51.96 53.05 3b7b s ALA 799 Cb 0.00 -3.58 -0.07 0.00 0.00 0.00 0.00 23.12 19.47 3b7b s ALA 799 CO 0.00 -1.29 1.27 -0.51 0.00 0.00 0.00 175.76 175.24 3b7b s LEU 800 N -3.13 4.38 -0.09 0.00 1.43 -1.26 -4.77 118.68 115.24 3b7b s LEU 800 Ca 0.66 2.18 0.10 0.00 -1.03 0.00 0.00 54.13 56.04 3b7b s LEU 800 Cb -0.42 -3.59 -0.24 0.00 0.03 0.00 0.00 46.19 41.98 3b7b s LEU 800 CO 0.52 -0.53 0.48 0.52 0.23 0.00 0.00 176.35 177.57 3b7b n VAL 801 N 3.69 1.60 -0.58 -1.59 0.31 -1.26 -4.43 118.33 116.07 3b7b n VAL 801 Ca 0.09 -0.77 0.10 0.00 -0.01 0.00 0.00 64.34 63.75 3b7b n VAL 801 Cb 0.44 -1.08 0.36 0.00 -0.91 0.00 0.00 33.84 32.65 3b7b n VAL 801 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3b7b n ASP 802 N -3.08 4.64 -4.74 4.52 5.75 -1.26 -4.45 116.55 117.93 3b7b n ASP 802 Ca -0.23 -2.35 -0.35 0.00 -0.01 0.00 0.00 54.79 51.85 3b7b n ASP 802 Cb 1.07 -0.57 0.06 0.00 -1.03 0.00 0.00 41.12 40.65 3b7b n ASP 802 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 3b7b s PRO 803 N -1.66 2.58 0.18 0.11 0.04 -1.26 -4.93 135.00 130.06 3b7b s PRO 803 Ca 0.52 1.72 -0.01 0.00 0.04 0.00 0.00 61.00 63.27 3b7b s PRO 803 Cb 0.32 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.92 3b7b s PRO 803 CO 0.27 -1.49 0.37 0.15 0.04 0.00 0.00 177.00 176.34 3b7b s LYS 804 N -3.71 3.52 0.00 4.56 1.02 -1.26 -4.53 119.74 119.34 3b7b s LYS 804 Ca 0.74 -0.35 0.00 0.00 0.02 0.00 0.00 55.97 56.39 3b7b s LYS 804 Cb -0.28 -2.87 0.00 0.00 -0.52 0.00 0.00 37.83 34.16 3b7b s LYS 804 CO 0.40 0.43 0.00 -3.47 -0.92 0.00 0.00 175.35 171.79 3b7b n ASP 805 N -0.50 -0.18 -1.03 2.83 4.64 0.24 -4.81 116.55 117.73 3b7b n ASP 805 Ca -0.05 -0.00 0.11 0.00 -1.38 0.00 0.00 54.79 53.47 3b7b n ASP 805 Cb 0.53 0.00 0.18 0.00 -1.04 0.00 0.00 41.12 40.79 3b7b n ASP 805 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3b7b n ALA 806 N -3.00 2.41 -1.97 -1.67 0.00 -1.25 -3.94 120.51 111.08 3b7b n ALA 806 Ca 0.00 -0.94 0.03 0.00 0.00 0.00 0.00 53.44 52.53 3b7b n ALA 806 Cb 0.00 -0.78 0.04 0.00 0.00 0.00 0.00 19.45 18.71 3b7b n ALA 806 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3b7b n GLU 807 N 1.32 0.30 -0.99 0.00 1.02 -1.26 -4.98 120.64 116.06 3b7b n GLU 807 Ca 0.17 -1.67 0.00 0.00 -0.02 0.00 0.00 57.16 55.64 3b7b n GLU 807 Cb 0.56 -0.59 0.00 0.00 -0.02 0.00 0.00 31.44 31.39 3b7b n GLU 807 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3b7b n GLY 808 N -0.15 0.54 3.72 0.62 0.00 -1.25 -1.63 105.19 107.02 3b7b n GLY 808 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3b7b n GLY 808 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3b7b s SER 809 N -2.20 7.13 0.57 1.61 0.01 -1.26 -4.23 113.70 115.33 3b7b s SER 809 Ca 0.00 1.36 0.01 0.00 1.31 0.00 0.00 55.95 58.63 3b7b s SER 809 Cb 0.00 -2.47 0.04 0.00 0.21 0.00 0.00 66.02 63.81 3b7b s SER 809 CO 0.00 -0.16 0.80 0.42 0.41 0.00 0.00 173.24 174.72 3b7b s THR 810 N 0.82 2.59 0.46 1.44 -4.23 -1.26 0.79 115.64 116.24 3b7b s THR 810 Ca 0.42 -0.66 0.12 0.00 -1.18 0.00 0.00 61.69 60.39 3b7b s THR 810 Cb -0.19 -2.93 0.24 0.00 1.34 0.00 0.00 72.50 70.96 3b7b s THR 810 CO 0.22 0.00 2.06 0.00 -0.54 0.00 0.00 174.62 176.36 3b7b h LEU 812 N 0.21 0.65 -0.18 0.00 5.85 -1.93 -0.67 115.31 119.23 3b7b h LEU 812 Ca 0.05 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 3b7b h LEU 812 Cb 0.08 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 3b7b h LEU 812 CO -0.00 0.43 -0.27 0.45 -0.34 0.00 0.00 178.44 178.70 3b7b h HIS 813 N 0.74 0.63 -0.45 1.25 3.86 -1.43 -2.62 115.15 117.12 3b7b h HIS 813 Ca 0.29 -0.21 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 3b7b h HIS 813 Cb 0.20 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 3b7b h HIS 813 CO -0.00 0.92 0.17 -0.07 0.86 0.00 0.00 177.93 179.81 3b7b h LEU 814 N 0.17 0.59 0.32 2.43 3.38 -1.02 -0.53 115.31 120.65 3b7b h LEU 814 Ca 0.02 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3b7b h LEU 814 Cb 0.85 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3b7b h LEU 814 CO 0.06 0.54 -0.15 0.00 0.09 0.00 0.00 178.44 178.98 3b7b h ALA 815 N 1.55 -0.43 -0.48 1.53 0.00 -1.12 -2.59 119.26 117.71 3b7b h ALA 815 Ca 0.16 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.96 3b7b h ALA 815 Cb 0.15 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3b7b h ALA 815 CO -0.01 -0.56 0.32 0.00 0.00 0.00 0.00 179.25 179.00 3b7b h ALA 816 N -0.29 2.06 -0.21 0.00 0.00 -1.24 0.67 119.26 120.24 3b7b h ALA 816 Ca -0.04 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 3b7b h ALA 816 Cb 0.51 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3b7b h ALA 816 CO 0.07 -0.16 -0.53 -0.22 0.00 0.00 0.00 179.25 178.41 3b7b h LYS 817 N 0.30 0.62 0.00 0.00 3.64 -1.06 -3.06 116.57 117.01 3b7b h LYS 817 Ca 0.22 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3b7b h LYS 817 Cb 0.47 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3b7b h LYS 817 CO -0.05 0.99 -0.36 1.63 -2.27 0.00 0.00 179.45 179.39 3b7b n LYS 818 N -3.97 0.01 -0.64 1.90 4.76 -0.64 -4.83 118.16 114.74 3b7b n LYS 818 Ca -0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 3b7b n LYS 818 Cb 0.60 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 32.28 3b7b n LYS 818 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3b7b n GLY 819 N 1.50 0.64 3.57 0.72 0.00 0.14 -5.00 105.19 106.75 3b7b n GLY 819 Ca 0.06 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 3b7b n GLY 819 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3b7b s HIS 820 N -2.00 2.44 0.18 1.61 3.76 -0.95 -4.87 115.29 115.45 3b7b s HIS 820 Ca 0.00 -0.72 -0.22 0.00 -0.15 0.00 0.00 55.06 53.97 3b7b s HIS 820 Cb 0.00 -4.54 0.09 0.00 1.11 0.00 0.00 32.58 29.24 3b7b s HIS 820 CO 0.00 -1.79 1.59 -0.92 -0.85 0.00 0.00 174.74 172.77 3b7b h TYR 821 N 9.31 -0.96 -0.22 1.40 3.20 -1.94 -0.62 116.97 127.14 3b7b h TYR 821 Ca 0.26 0.07 0.00 0.00 3.14 0.00 0.00 58.73 62.20 3b7b h TYR 821 Cb 0.96 0.50 -0.01 0.00 1.54 0.00 0.00 36.73 39.72 3b7b h TYR 821 CO 1.31 -0.39 0.14 0.93 -1.64 0.00 0.00 178.16 178.51 3b7b h GLU 822 N -0.20 0.29 0.15 1.82 3.07 -1.99 -0.11 114.58 117.61 3b7b h GLU 822 Ca 0.21 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 59.05 3b7b h GLU 822 Cb 0.55 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 3b7b h GLU 822 CO -0.64 0.21 -0.17 0.28 -1.40 0.00 0.00 179.01 177.30 3b7b h VAL 823 N 0.28 0.63 -0.92 3.13 2.07 -1.82 -0.30 116.25 119.33 3b7b h VAL 823 Ca 0.08 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.67 3b7b h VAL 823 Cb -0.01 0.63 -0.07 0.00 -1.52 0.00 0.00 31.29 30.32 3b7b h VAL 823 CO -0.02 0.00 0.58 0.58 0.02 0.00 0.00 177.57 178.73 3b7b h VAL 824 N -0.35 1.04 -0.24 2.57 2.07 -1.00 -1.03 116.25 119.31 3b7b h VAL 824 Ca 0.01 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3b7b h VAL 824 Cb 0.34 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 3b7b h VAL 824 CO -0.06 0.19 0.16 -0.61 0.02 0.00 0.00 177.57 177.27 3b7b h GLN 825 N 1.04 0.32 -0.33 1.57 4.15 -0.66 -2.33 115.11 118.86 3b7b h GLN 825 Ca 0.40 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.76 3b7b h GLN 825 Cb 0.20 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 3b7b h GLN 825 CO -0.18 0.23 0.04 -0.92 -1.93 0.00 0.00 178.83 176.07 3b7b h TYR 826 N 0.32 0.50 0.00 3.99 3.20 0.19 -1.18 116.97 124.00 3b7b h TYR 826 Ca 0.09 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3b7b h TYR 826 Cb -0.02 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.10 3b7b h TYR 826 CO -0.06 0.47 0.00 -0.07 -1.64 0.00 0.00 178.16 176.87 3b7b h LEU 827 N 0.48 0.00 -3.12 2.82 3.38 -1.12 -3.21 115.31 114.54 3b7b h LEU 827 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3b7b h LEU 827 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3b7b h LEU 827 CO 0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 3b7b n LEU 828 N -2.81 3.40 0.02 1.67 4.77 -0.52 -4.42 117.00 119.11 3b7b n LEU 828 Ca 0.02 -2.71 0.12 0.00 -0.03 0.00 0.00 56.01 53.42 3b7b n LEU 828 Cb 0.37 -0.42 0.26 0.00 -2.33 0.00 0.00 43.42 41.29 3b7b n LEU 828 CO 0.28 0.68 0.47 -1.54 -1.33 0.00 0.00 177.39 175.96 3b7b n SER 829 N -0.33 0.51 0.02 -1.43 3.41 -0.78 -4.23 113.62 110.80 3b7b n SER 829 Ca 0.17 -0.06 -0.21 0.00 -0.26 0.00 0.00 58.87 58.51 3b7b n SER 829 Cb 0.71 0.15 -0.14 0.00 -0.26 0.00 0.00 64.21 64.67 3b7b n SER 829 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3b7b h ASN 830 N 0.00 0.45 0.00 4.04 -0.73 -1.79 -3.48 115.58 114.06 3b7b h ASN 830 Ca 0.00 -0.91 0.00 0.00 1.87 0.00 0.00 56.30 57.26 3b7b h ASN 830 Cb 0.58 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.02 3b7b h ASN 830 CO 0.00 1.81 0.00 0.61 -0.37 0.00 0.00 177.43 179.48 3b7b n GLY 831 N 1.95 1.00 0.14 1.57 0.00 -1.26 -4.91 105.19 103.68 3b7b n GLY 831 Ca -0.30 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 3b7b n GLY 831 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3b7b h GLN 832 N 3.61 0.46 -7.29 1.61 4.20 -1.93 -3.46 115.11 112.32 3b7b h GLN 832 Ca 0.00 -0.79 -0.51 0.00 0.06 0.00 0.00 58.65 57.40 3b7b h GLN 832 Cb 0.00 0.30 0.13 0.00 0.30 0.00 0.00 27.48 28.21 3b7b h GLN 832 CO 0.00 1.38 0.32 -1.64 -0.67 0.00 0.00 178.83 178.22 3b7b s MET 833 N -2.57 2.24 -0.31 1.46 -1.94 -1.26 -5.02 119.30 111.91 3b7b s MET 833 Ca -0.12 1.24 -0.00 0.00 -1.71 0.00 0.00 55.69 55.09 3b7b s MET 833 Cb 0.04 -1.89 0.06 0.00 2.01 0.00 0.00 34.83 35.05 3b7b s MET 833 CO 0.90 -1.66 0.00 0.34 -0.01 0.00 0.00 175.02 174.59 3b7b s ASP 834 N -3.20 4.82 0.58 3.03 2.15 -1.26 -4.99 116.67 117.81 3b7b s ASP 834 Ca 0.63 -1.44 0.28 0.00 0.43 0.00 0.00 52.55 52.45 3b7b s ASP 834 Cb -0.18 -1.68 1.62 0.00 -0.30 0.00 0.00 42.92 42.37 3b7b s ASP 834 CO 0.54 -0.28 2.08 -0.37 -0.17 0.00 0.00 175.17 176.96 3b7b h VAL 835 N 6.53 0.48 -0.54 1.11 -1.51 -1.93 -1.43 116.25 118.96 3b7b h VAL 835 Ca -0.19 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 3b7b h VAL 835 Cb 1.05 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 3b7b h VAL 835 CO 0.53 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.46 3b7b n ASN 836 N -3.84 3.57 -4.68 4.19 3.02 -1.26 -3.99 115.26 112.27 3b7b n ASN 836 Ca 0.02 -2.21 -0.43 0.00 -0.03 0.00 0.00 54.58 51.94 3b7b n ASN 836 Cb 0.36 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 39.04 3b7b n ASN 836 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3b7b s GLN 838 N 3.04 3.61 0.68 0.00 -0.21 -1.26 -4.26 119.66 121.26 3b7b s GLN 838 Ca 0.84 -0.09 0.02 0.00 0.02 0.00 0.00 55.36 56.14 3b7b s GLN 838 Cb -0.49 -2.95 0.13 0.00 1.00 0.00 0.00 33.01 30.70 3b7b s GLN 838 CO 0.39 0.55 0.94 -0.40 -2.12 0.00 0.00 175.29 174.64 3b7b n ASP 839 N 0.50 1.46 0.18 5.90 5.75 -0.67 -4.87 116.55 124.81 3b7b n ASP 839 Ca -0.06 -2.19 0.18 0.00 -0.01 0.00 0.00 54.79 52.72 3b7b n ASP 839 Cb 0.52 -0.59 0.81 0.00 -1.03 0.00 0.00 41.12 40.83 3b7b n ASP 839 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3b7b h ASP 840 N -0.45 0.00 0.22 -1.12 3.45 -1.52 0.53 116.42 117.53 3b7b h ASP 840 Ca -0.31 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.15 3b7b h ASP 840 Cb 1.20 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 3b7b h ASP 840 CO 0.35 0.00 -0.18 0.61 -1.57 0.00 0.00 179.24 178.45 3b7b n GLY 841 N -1.41 -0.59 1.01 2.75 0.00 -1.26 -4.92 105.19 100.77 3b7b n GLY 841 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3b7b n GLY 841 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b7b n GLY 842 N 1.30 0.74 3.80 -0.02 0.00 0.18 -2.35 105.19 108.85 3b7b n GLY 842 Ca 0.14 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3b7b n GLY 842 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3b7b s TRP 843 N -2.00 3.79 0.43 1.61 0.52 -1.26 -4.17 118.94 117.86 3b7b s TRP 843 Ca 0.00 1.38 0.03 0.00 0.02 0.00 0.00 56.10 57.53 3b7b s TRP 843 Cb 0.00 -2.58 0.00 0.00 -1.15 0.00 0.00 33.47 29.74 3b7b s TRP 843 CO 0.00 0.51 0.62 0.95 0.02 0.00 0.00 176.95 179.05 3b7b s THR 844 N -1.23 3.71 0.29 2.01 -4.23 -1.26 -1.67 115.64 113.27 3b7b s THR 844 Ca 0.34 -0.71 0.01 0.00 -1.18 0.00 0.00 61.69 60.15 3b7b s THR 844 Cb -0.20 -3.34 0.28 0.00 1.34 0.00 0.00 72.50 70.59 3b7b s THR 844 CO 0.21 -0.20 1.89 -0.65 -0.54 0.00 0.00 174.62 175.33 3b7b h PRO 845 N 0.50 1.01 -0.39 3.99 0.11 -1.74 -1.85 132.00 133.64 3b7b h PRO 845 Ca -0.45 -0.06 0.04 0.00 0.11 0.00 0.00 66.00 65.64 3b7b h PRO 845 Cb 1.26 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 3b7b h PRO 845 CO 0.54 0.67 0.17 1.98 -0.21 0.00 0.00 178.00 181.15 3b7b h MET 846 N 1.04 0.34 -0.33 1.05 1.85 -1.94 -0.30 114.93 116.63 3b7b h MET 846 Ca 0.42 -0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.49 3b7b h MET 846 Cb 0.28 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.21 3b7b h MET 846 CO -0.18 0.22 0.20 0.82 -0.40 0.00 0.00 176.91 177.58 3b7b h ILE 847 N 0.35 1.09 -0.24 1.77 2.04 -1.72 0.24 117.51 121.04 3b7b h ILE 847 Ca 0.17 -0.20 -0.08 0.00 1.00 0.00 0.00 64.86 65.75 3b7b h ILE 847 Cb 0.11 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3b7b h ILE 847 CO -0.14 0.10 -0.18 -0.50 0.00 0.00 0.00 178.15 177.42 3b7b h TRP 848 N 0.45 0.64 -0.32 1.37 4.06 -0.88 -1.26 115.95 120.01 3b7b h TRP 848 Ca 0.12 -0.18 -0.01 0.00 2.06 0.00 0.00 58.89 60.88 3b7b h TRP 848 Cb -0.03 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 27.98 3b7b h TRP 848 CO 0.00 0.85 0.15 0.00 -3.56 0.00 0.00 178.44 175.87 3b7b h ALA 849 N 0.69 1.65 0.00 1.49 0.00 -0.17 -2.28 119.26 120.63 3b7b h ALA 849 Ca 0.04 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 3b7b h ALA 849 Cb 0.72 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3b7b h ALA 849 CO 0.05 0.28 -0.66 1.15 0.00 0.00 0.00 179.25 180.07 3b7b h THR 850 N 0.45 1.25 0.00 0.00 2.02 -0.30 -1.52 112.91 114.81 3b7b h THR 850 Ca 0.11 -2.46 -0.07 0.00 0.77 0.00 0.00 66.41 64.77 3b7b h THR 850 Cb 0.07 2.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 3b7b h THR 850 CO -0.01 0.65 -0.34 -0.08 0.37 0.00 0.00 175.52 176.10 3b7b h GLU 851 N 0.00 0.00 -0.41 6.66 4.22 -0.64 -2.92 114.58 121.50 3b7b h GLU 851 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.43 3b7b h GLU 851 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 3b7b h GLU 851 CO 0.09 0.34 0.00 0.66 -2.18 0.00 0.00 179.01 177.92 3b7b n TYR 852 N -3.89 0.84 -1.33 0.92 4.02 -1.15 -4.91 117.16 111.66 3b7b n TYR 852 Ca -0.01 -0.63 -0.11 0.00 -0.01 0.00 0.00 57.90 57.14 3b7b n TYR 852 Cb 0.41 -0.15 -0.05 0.00 -0.02 0.00 0.00 39.34 39.53 3b7b n TYR 852 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3b7b n LYS 853 N 0.42 -1.28 -2.09 -0.72 5.02 -1.01 -4.88 118.16 113.62 3b7b n LYS 853 Ca 0.18 0.86 -0.29 0.00 -2.02 0.00 0.00 58.31 57.04 3b7b n LYS 853 Cb 0.66 -5.05 -0.06 0.00 -0.02 0.00 0.00 35.03 30.56 3b7b n LYS 853 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3b7b s HIS 854 N -2.17 1.97 0.13 2.13 3.76 -0.60 -4.79 115.29 115.71 3b7b s HIS 854 Ca 0.00 0.39 -0.24 0.00 -0.15 0.00 0.00 55.06 55.06 3b7b s HIS 854 Cb 0.00 -4.05 -0.02 0.00 1.11 0.00 0.00 32.58 29.61 3b7b s HIS 854 CO 0.00 -1.36 1.65 0.28 -0.85 0.00 0.00 174.74 174.46 3b7b h VAL 855 N 6.40 0.49 -0.06 -0.90 2.07 -1.90 -2.21 116.25 120.15 3b7b h VAL 855 Ca 0.20 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 3b7b h VAL 855 Cb 0.95 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3b7b h VAL 855 CO 1.23 0.00 -0.02 0.44 0.02 0.00 0.00 177.57 179.25 3b7b h ASP 856 N -0.28 0.07 -0.12 0.57 3.32 -1.99 -0.70 116.42 117.29 3b7b h ASP 856 Ca 0.09 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 3b7b h ASP 856 Cb 0.41 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 3b7b h ASP 856 CO -0.26 0.10 0.03 0.25 -1.72 0.00 0.00 179.24 177.65 3b7b h LEU 857 N 0.08 0.17 -1.13 1.55 7.12 -1.79 -0.33 115.31 120.98 3b7b h LEU 857 Ca 0.02 -0.21 -0.01 0.00 0.13 0.00 0.00 57.88 57.80 3b7b h LEU 857 Cb 0.08 -0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 40.13 3b7b h LEU 857 CO 0.00 0.34 0.40 0.58 -0.13 0.00 0.00 178.44 179.63 3b7b h VAL 858 N -0.00 1.22 0.24 1.05 2.07 -0.75 0.29 116.25 120.37 3b7b h VAL 858 Ca 0.04 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 3b7b h VAL 858 Cb 0.23 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3b7b h VAL 858 CO -0.00 0.24 -0.12 0.11 0.02 0.00 0.00 177.57 177.82 3b7b h LYS 859 N 1.01 -0.31 0.15 1.57 1.79 -0.89 -0.19 116.57 119.69 3b7b h LYS 859 Ca 0.26 0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.75 3b7b h LYS 859 Cb 0.02 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 3b7b h LYS 859 CO -0.04 -0.17 -0.16 1.25 -1.08 0.00 0.00 179.45 179.24 3b7b h LEU 860 N -0.37 -0.44 -1.11 2.94 5.85 -0.56 -2.19 115.31 119.42 3b7b h LEU 860 Ca -0.03 0.05 0.13 0.00 0.84 0.00 0.00 57.88 58.86 3b7b h LEU 860 Cb 0.29 0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.40 3b7b h LEU 860 CO 0.05 -0.25 0.61 -0.07 -0.34 0.00 0.00 178.44 178.45 3b7b h LEU 861 N -0.35 0.83 0.18 2.25 3.38 -0.36 -1.97 115.31 119.26 3b7b h LEU 861 Ca 0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3b7b h LEU 861 Cb 0.34 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3b7b h LEU 861 CO -0.05 0.43 -0.10 -0.07 0.09 0.00 0.00 178.44 178.74 3b7b h LEU 862 N 0.89 -0.25 -2.38 1.67 3.38 -0.58 -2.02 115.31 116.02 3b7b h LEU 862 Ca 0.48 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.45 3b7b h LEU 862 Cb 0.56 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 3b7b h LEU 862 CO -0.24 -0.17 -0.03 0.77 0.09 0.00 0.00 178.44 178.86 3b7b h SER 863 N -0.26 0.00 -0.38 -0.43 4.64 -0.78 -2.13 113.55 114.20 3b7b h SER 863 Ca -0.02 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.17 3b7b h SER 863 Cb 0.22 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.23 3b7b h SER 863 CO 0.02 0.03 0.17 0.29 -0.87 0.00 0.00 176.83 176.47 3b7b n LYS 864 N -3.68 2.17 -0.77 4.77 4.76 -0.81 -4.86 118.16 119.74 3b7b n LYS 864 Ca -0.03 -1.45 0.00 0.00 -2.87 0.00 0.00 58.31 53.96 3b7b n LYS 864 Cb 0.12 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 31.62 3b7b n LYS 864 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3b7b n GLY 865 N -0.01 0.58 3.69 0.72 0.00 -0.81 -4.80 105.19 104.57 3b7b n GLY 865 Ca 0.21 -0.27 -0.44 0.00 0.00 0.00 0.00 46.02 45.53 3b7b n GLY 865 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3b7b n SER 866 N 0.48 3.64 -4.66 1.61 2.88 -0.81 -4.87 113.62 111.89 3b7b n SER 866 Ca 0.00 1.06 -0.41 0.00 -1.33 0.00 0.00 58.87 58.19 3b7b n SER 866 Cb 0.00 -1.51 -0.05 0.00 -0.75 0.00 0.00 64.21 61.91 3b7b n SER 866 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3b7b s ASP 867 N 1.38 6.86 0.00 -3.46 -1.08 -1.26 -4.81 116.67 114.30 3b7b s ASP 867 Ca 0.78 1.06 0.28 0.00 -0.52 0.00 0.00 52.55 54.15 3b7b s ASP 867 Cb -0.58 -2.42 1.34 0.00 -1.46 0.00 0.00 42.92 39.80 3b7b s ASP 867 CO 0.36 -0.38 1.95 2.30 0.52 0.00 0.00 175.17 179.91 3b7b n ILE 868 N 4.81 0.07 1.03 4.11 -5.35 -1.26 -3.60 119.36 119.17 3b7b n ILE 868 Ca 0.03 0.02 0.11 0.00 -0.27 0.00 0.00 62.75 62.64 3b7b n ILE 868 Cb 0.49 -0.54 0.03 0.00 -1.74 0.00 0.00 39.64 37.88 3b7b n ILE 868 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3b7b n ASN 869 N -1.38 1.18 -4.65 7.28 3.02 -1.26 -4.16 115.26 115.29 3b7b n ASN 869 Ca 0.11 -0.99 -0.47 0.00 -0.03 0.00 0.00 54.58 53.21 3b7b n ASN 869 Cb 0.27 0.63 -0.04 0.00 -0.61 0.00 0.00 39.78 40.03 3b7b n ASN 869 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3b7b n ILE 870 N -1.02 0.41 -3.93 2.41 2.08 -1.24 -4.91 119.36 113.15 3b7b n ILE 870 Ca 0.07 -0.10 -0.35 0.00 0.56 0.00 0.00 62.75 62.92 3b7b n ILE 870 Cb 0.37 -1.37 -0.06 0.00 -0.75 0.00 0.00 39.64 37.83 3b7b n ILE 870 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 3b7b s ARG 871 N 0.28 3.39 0.00 0.38 1.81 -1.26 -4.33 118.95 119.22 3b7b s ARG 871 Ca 0.75 -0.23 0.00 0.00 -1.72 0.00 0.00 55.73 54.53 3b7b s ARG 871 Cb -0.72 -3.12 0.00 0.00 -0.45 0.00 0.00 34.95 30.67 3b7b s ARG 871 CO 0.44 0.73 0.00 -0.40 -0.68 0.00 0.00 175.30 175.40 3b7b n ASP 872 N 1.61 0.00 0.20 0.23 3.85 -0.03 -4.84 116.55 117.56 3b7b n ASP 872 Ca -0.17 -0.64 0.14 0.00 -0.71 0.00 0.00 54.79 53.42 3b7b n ASP 872 Cb 0.54 0.00 0.62 0.00 -1.35 0.00 0.00 41.12 40.93 3b7b n ASP 872 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.20 176.97 3b7b h ASN 873 N 0.00 0.00 -0.36 -1.12 2.35 -1.69 -2.45 115.58 112.31 3b7b h ASN 873 Ca 0.00 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.60 3b7b h ASN 873 Cb 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.28 3b7b h ASN 873 CO 0.00 0.00 -0.01 -0.62 -1.65 0.00 0.00 177.43 175.15 3b7b n GLU 874 N -2.58 2.17 -2.22 0.81 1.02 -1.26 -4.95 120.64 113.62 3b7b n GLU 874 Ca 0.01 -3.07 -0.20 0.00 -0.02 0.00 0.00 57.16 53.88 3b7b n GLU 874 Cb 0.22 -1.84 -0.03 0.00 -0.02 0.00 0.00 31.44 29.77 3b7b n GLU 874 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3b7b n GLU 875 N -0.96 -1.68 -3.08 3.49 -0.58 -0.92 -1.19 120.64 115.73 3b7b n GLU 875 Ca 0.31 1.01 -0.39 0.00 -0.42 0.00 0.00 57.16 57.67 3b7b n GLU 875 Cb 1.03 -5.60 -0.05 0.00 -0.57 0.00 0.00 31.44 26.25 3b7b n GLU 875 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3b7b s ASN 876 N -2.19 7.01 0.71 1.62 0.01 -1.26 -4.04 114.94 116.80 3b7b s ASN 876 Ca 0.00 1.21 -0.02 0.00 -0.71 0.00 0.00 52.86 53.34 3b7b s ASN 876 Cb 0.00 -2.41 0.12 0.00 0.41 0.00 0.00 41.25 39.37 3b7b s ASN 876 CO 0.00 -0.05 0.80 2.30 -1.51 0.00 0.00 177.10 178.64 3b7b n ILE 877 N 3.41 0.00 -0.24 0.60 -5.35 -1.26 -0.85 119.36 115.67 3b7b n ILE 877 Ca -0.03 -1.14 -0.07 0.00 -0.27 0.00 0.00 62.75 61.25 3b7b n ILE 877 Cb 0.51 -1.10 0.04 0.00 -1.74 0.00 0.00 39.64 37.35 3b7b n ILE 877 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3b7b h LEU 879 N 0.94 0.00 -0.31 0.00 5.85 -1.94 0.12 115.31 119.97 3b7b h LEU 879 Ca 0.22 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.75 3b7b h LEU 879 Cb 0.25 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 3b7b h LEU 879 CO -0.01 0.00 -0.53 0.45 -0.34 0.00 0.00 178.44 178.01 3b7b h HIS 880 N 0.00 1.11 0.00 1.25 3.86 -1.87 -1.91 115.15 117.59 3b7b h HIS 880 Ca 0.16 -0.39 -0.12 0.00 -1.16 0.00 0.00 60.37 58.86 3b7b h HIS 880 Cb 0.99 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 29.23 3b7b h HIS 880 CO 0.00 1.22 -0.58 -1.49 0.86 0.00 0.00 177.93 177.94 3b7b h TRP 881 N 0.68 0.00 -0.49 2.45 4.06 -1.11 0.22 115.95 121.77 3b7b h TRP 881 Ca 0.02 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.91 3b7b h TRP 881 Cb 1.14 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.28 3b7b h TRP 881 CO 0.07 0.58 0.07 0.00 -3.56 0.00 0.00 178.44 175.60 3b7b h ALA 882 N 1.42 0.65 -0.14 1.49 0.00 -1.28 -0.07 119.26 121.34 3b7b h ALA 882 Ca -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3b7b h ALA 882 Cb 1.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3b7b h ALA 882 CO 0.07 0.39 0.03 0.00 0.00 0.00 0.00 179.25 179.74 3b7b h ALA 883 N 0.96 0.19 -0.88 0.00 0.00 -0.97 0.24 119.26 118.80 3b7b h ALA 883 Ca 0.15 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.02 3b7b h ALA 883 Cb 0.40 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 3b7b h ALA 883 CO 0.01 -0.16 0.57 0.35 0.00 0.00 0.00 179.25 180.02 3b7b h PHE 884 N 0.02 0.89 0.00 0.00 3.57 -0.11 -2.49 116.94 118.81 3b7b h PHE 884 Ca 0.04 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3b7b h PHE 884 Cb 0.28 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.74 3b7b h PHE 884 CO 0.01 0.38 -1.29 -1.13 -2.23 0.00 0.00 178.31 174.06 3b7b n SER 885 N -4.54 0.54 0.00 0.41 3.41 -0.08 -4.95 113.62 108.41 3b7b n SER 885 Ca 0.16 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 3b7b n SER 885 Cb 0.37 0.99 0.00 0.00 -0.26 0.00 0.00 64.21 65.31 3b7b n SER 885 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3b7b n GLY 886 N 1.26 0.56 3.35 5.00 0.00 0.84 -5.01 105.19 111.19 3b7b n GLY 886 Ca -0.00 -0.83 -0.46 0.00 0.00 0.00 0.00 46.02 44.73 3b7b n GLY 886 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b7b n VAL 888 N 5.01 0.91 0.02 0.00 0.24 -1.26 -1.35 118.33 121.89 3b7b n VAL 888 Ca -0.01 0.37 -0.19 0.00 -2.04 0.00 0.00 64.34 62.47 3b7b n VAL 888 Cb 0.44 -1.31 -0.10 0.00 -1.47 0.00 0.00 33.84 31.40 3b7b n VAL 888 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3b7b h ASP 889 N 0.00 0.85 0.31 -1.34 3.32 -1.98 0.03 116.42 117.60 3b7b h ASP 889 Ca 0.00 -0.71 -0.02 0.00 0.02 0.00 0.00 57.03 56.32 3b7b h ASP 889 Cb 0.26 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3b7b h ASP 889 CO 0.00 1.44 -0.15 0.40 -1.72 0.00 0.00 179.24 179.21 3b7b h ILE 890 N 0.33 0.54 -0.86 0.35 2.04 -1.82 -1.71 117.51 116.38 3b7b h ILE 890 Ca -0.10 -0.76 0.22 0.00 1.00 0.00 0.00 64.86 65.22 3b7b h ILE 890 Cb 1.54 0.84 -0.14 0.00 -0.74 0.00 0.00 36.82 38.32 3b7b h ILE 890 CO 0.18 0.12 0.18 0.00 0.00 0.00 0.00 178.15 178.62 3b7b h ALA 891 N -0.54 1.17 -0.41 1.87 0.00 -1.29 0.29 119.26 120.34 3b7b h ALA 891 Ca -0.04 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3b7b h ALA 891 Cb 0.51 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3b7b h ALA 891 CO 0.07 -0.46 0.19 1.49 0.00 0.00 0.00 179.25 180.54 3b7b h GLU 892 N 0.18 0.60 0.24 0.00 4.81 -0.92 0.81 114.58 120.30 3b7b h GLU 892 Ca 0.52 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.65 3b7b h GLU 892 Cb 1.03 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.31 3b7b h GLU 892 CO -0.66 0.54 -0.11 0.82 -0.73 0.00 0.00 179.01 178.86 3b7b h ILE 893 N 0.53 0.77 -0.39 2.32 2.04 0.42 -0.79 117.51 122.40 3b7b h ILE 893 Ca 0.14 -0.02 0.06 0.00 1.00 0.00 0.00 64.86 66.03 3b7b h ILE 893 Cb 0.14 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 3b7b h ILE 893 CO -0.02 0.01 0.09 -0.07 0.00 0.00 0.00 178.15 178.16 3b7b h LEU 894 N -0.33 0.04 -1.13 1.44 3.38 -0.76 0.11 115.31 118.05 3b7b h LEU 894 Ca -0.03 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.08 3b7b h LEU 894 Cb 0.26 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 3b7b h LEU 894 CO 0.05 0.06 0.60 -0.07 0.09 0.00 0.00 178.44 179.17 3b7b h LEU 895 N 0.22 0.89 -1.46 1.67 3.38 -0.56 0.27 115.31 119.72 3b7b h LEU 895 Ca 0.19 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 3b7b h LEU 895 Cb 0.21 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3b7b h LEU 895 CO -0.23 0.54 -0.25 0.00 0.09 0.00 0.00 178.44 178.59 3b7b h ALA 896 N 1.52 1.25 0.00 1.53 0.00 0.44 -2.10 119.26 121.90 3b7b h ALA 896 Ca 0.42 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3b7b h ALA 896 Cb 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3b7b h ALA 896 CO -0.17 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.39 3b7b n ALA 897 N -2.34 2.41 -3.21 0.00 0.00 0.95 -4.84 120.51 113.47 3b7b n ALA 897 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.27 3b7b n ALA 897 Cb 0.35 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 18.87 3b7b n ALA 897 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3b7b n LYS 898 N -0.31 -5.51 -3.03 0.00 5.02 -0.79 -5.02 118.16 108.52 3b7b n LYS 898 Ca 0.00 0.62 -0.28 0.00 -2.02 0.00 0.00 58.31 56.63 3b7b n LYS 898 Cb 0.08 -5.02 -0.02 0.00 -0.02 0.00 0.00 35.03 30.05 3b7b n LYS 898 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3b7b s ASP 900 N -3.46 6.69 0.41 0.00 -1.08 -1.26 -4.85 116.67 113.11 3b7b s ASP 900 Ca 0.47 1.06 0.28 0.00 -0.52 0.00 0.00 52.55 53.84 3b7b s ASP 900 Cb -0.10 -2.54 1.03 0.00 -1.46 0.00 0.00 42.92 39.85 3b7b s ASP 900 CO 0.34 -1.09 1.82 0.25 0.52 0.00 0.00 175.17 177.01 3b7b h LEU 901 N 10.89 0.00 -2.74 -1.34 7.12 -1.97 -3.09 115.31 124.17 3b7b h LEU 901 Ca -0.25 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.76 3b7b h LEU 901 Cb 1.09 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.22 3b7b h LEU 901 CO 1.05 0.00 0.00 1.41 -0.13 0.00 0.00 178.44 180.77 3b7b n HIS 902 N -2.73 0.50 -1.78 1.25 8.25 -1.26 -4.21 115.22 115.24 3b7b n HIS 902 Ca 0.02 -0.45 -0.39 0.00 -0.26 0.00 0.00 57.72 56.63 3b7b n HIS 902 Cb 0.33 -0.02 0.03 0.00 1.12 0.00 0.00 29.99 31.45 3b7b n HIS 902 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3b7b s ALA 903 N -1.01 3.07 0.01 -1.41 0.00 -1.17 -4.91 121.76 116.34 3b7b s ALA 903 Ca 0.26 1.43 0.05 0.00 0.00 0.00 0.00 51.96 53.70 3b7b s ALA 903 Cb 0.14 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 3b7b s ALA 903 CO 0.19 -1.29 -0.15 0.14 0.00 0.00 0.00 175.76 174.65 3b7b s VAL 904 N -1.24 1.16 0.12 0.00 -7.23 -1.26 -4.07 120.40 107.89 3b7b s VAL 904 Ca 0.65 -0.81 -0.01 0.00 -1.81 0.00 0.00 61.98 60.00 3b7b s VAL 904 Cb -0.43 -1.01 0.03 0.00 0.56 0.00 0.00 36.38 35.53 3b7b s VAL 904 CO 0.53 0.19 0.17 -0.46 -0.31 0.00 0.00 175.10 175.22 3b7b n ASN 905 N 2.34 0.10 0.00 4.85 0.23 -0.97 -4.82 115.26 116.98 3b7b n ASN 905 Ca -0.16 -1.11 0.00 0.00 -0.53 0.00 0.00 54.58 52.78 3b7b n ASN 905 Cb 0.55 -0.12 0.02 0.00 -2.08 0.00 0.00 39.78 38.15 3b7b n ASN 905 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3b7b n ILE 906 N -1.94 0.00 -0.38 1.53 3.06 -0.33 -1.07 119.36 120.22 3b7b n ILE 906 Ca 0.02 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.27 3b7b n ILE 906 Cb 0.08 -0.56 0.00 0.00 0.54 0.00 0.00 39.64 39.70 3b7b n ILE 906 CO 0.00 0.00 0.00 1.41 -2.50 0.00 0.00 176.55 175.46 3b7b n HIS 907 N -0.61 0.00 -0.13 9.51 8.25 -1.26 -4.99 115.22 125.99 3b7b n HIS 907 Ca 0.01 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 3b7b n HIS 907 Cb 0.00 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3b7b n HIS 907 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3b7b n GLY 908 N -0.06 1.48 3.68 -1.41 0.00 -0.23 -1.15 105.19 107.49 3b7b n GLY 908 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3b7b n GLY 908 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3b7b s ASP 909 N -3.10 6.74 0.65 1.61 -0.00 -1.26 -4.45 116.67 116.87 3b7b s ASP 909 Ca 0.00 2.24 0.03 0.00 -0.00 0.00 0.00 52.55 54.82 3b7b s ASP 909 Cb 0.00 -2.56 0.10 0.00 -0.00 0.00 0.00 42.92 40.47 3b7b s ASP 909 CO 0.00 -0.81 0.90 -0.94 -0.00 0.00 0.00 175.17 174.32 3b7b s SER 910 N 2.27 4.70 0.11 0.27 1.04 -1.26 -2.28 113.70 118.54 3b7b s SER 910 Ca 0.68 -0.48 -0.22 0.00 0.48 0.00 0.00 55.95 56.41 3b7b s SER 910 Cb -0.34 -0.03 -0.10 0.00 0.10 0.00 0.00 66.02 65.65 3b7b s SER 910 CO 0.28 -1.60 1.72 -0.65 0.98 0.00 0.00 173.24 173.97 3b7b h PRO 911 N -0.22 -0.06 -1.15 4.02 0.11 -1.73 -1.66 132.00 131.30 3b7b h PRO 911 Ca -0.35 0.00 0.32 0.00 0.11 0.00 0.00 66.00 66.09 3b7b h PRO 911 Cb 1.28 0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.31 3b7b h PRO 911 CO 0.42 -0.04 0.76 1.25 -0.21 0.00 0.00 178.00 180.17 3b7b h LEU 912 N -0.06 0.31 0.32 2.35 5.85 -1.94 0.51 115.31 122.64 3b7b h LEU 912 Ca 0.04 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 3b7b h LEU 912 Cb 0.11 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3b7b h LEU 912 CO -0.08 0.01 -0.15 0.45 -0.34 0.00 0.00 178.44 178.32 3b7b h HIS 913 N 0.24 -0.40 -0.85 1.25 3.86 -1.67 -2.66 115.15 114.93 3b7b h HIS 913 Ca 0.64 -0.01 0.21 0.00 -1.16 0.00 0.00 60.37 60.06 3b7b h HIS 913 Cb 1.93 0.13 -0.15 0.00 1.06 0.00 0.00 27.41 30.38 3b7b h HIS 913 CO -0.00 -0.25 0.09 0.82 0.86 0.00 0.00 177.93 179.45 3b7b h ILE 914 N -0.49 0.26 0.52 2.45 5.03 -0.60 -1.50 117.51 123.19 3b7b h ILE 914 Ca -0.04 -0.04 -0.02 0.00 -0.12 0.00 0.00 64.86 64.64 3b7b h ILE 914 Cb 0.33 0.13 -0.01 0.00 -3.03 0.00 0.00 36.82 34.25 3b7b h ILE 914 CO 0.07 0.02 -0.32 0.00 -0.68 0.00 0.00 178.15 177.24 3b7b h ALA 915 N 1.79 -0.81 -0.63 1.87 0.00 -1.10 -0.79 119.26 119.59 3b7b h ALA 915 Ca 0.50 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.34 3b7b h ALA 915 Cb 0.96 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 3b7b h ALA 915 CO -0.72 -0.97 0.28 0.00 0.00 0.00 0.00 179.25 177.84 3b7b h ALA 916 N -0.39 0.84 0.00 0.00 0.00 -0.97 -0.20 119.26 118.54 3b7b h ALA 916 Ca -0.06 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3b7b h ALA 916 Cb 0.66 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3b7b h ALA 916 CO 0.06 -0.12 -0.09 -0.09 0.00 0.00 0.00 179.25 179.02 3b7b h ARG 917 N 0.50 0.00 -0.43 0.00 2.43 -1.07 -2.40 114.38 113.41 3b7b h ARG 917 Ca 0.31 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.38 3b7b h ARG 917 Cb 0.33 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.82 3b7b h ARG 917 CO -0.27 0.09 0.06 0.39 -1.51 0.00 0.00 179.97 178.73 3b7b n GLU 918 N -3.36 3.05 -4.33 0.20 -0.58 -0.21 -4.96 120.64 110.45 3b7b n GLU 918 Ca -0.01 -3.00 -0.32 0.00 -0.42 0.00 0.00 57.16 53.40 3b7b n GLU 918 Cb 0.26 -1.97 -0.09 0.00 -0.57 0.00 0.00 31.44 29.06 3b7b n GLU 918 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3b7b n ASN 919 N -0.47 0.49 -4.02 1.62 5.15 -0.49 -4.90 115.26 112.63 3b7b n ASN 919 Ca 0.30 -1.26 -0.43 0.00 -0.60 0.00 0.00 54.58 52.59 3b7b n ASN 919 Cb 1.08 -1.67 0.01 0.00 -0.53 0.00 0.00 39.78 38.67 3b7b n ASN 919 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3b7b n ARG 920 N -4.51 4.24 -0.10 1.20 5.12 -0.80 -4.92 116.66 116.89 3b7b n ARG 920 Ca -0.27 -4.36 -0.03 0.00 -1.93 0.00 0.00 57.85 51.26 3b7b n ARG 920 Cb 0.66 -2.59 -0.02 0.00 -1.16 0.00 0.00 32.46 29.35 3b7b n ARG 920 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 3b7b n TYR 921 N 1.95 -0.10 -0.33 -1.55 9.36 -1.26 -0.07 117.16 125.16 3b7b n TYR 921 Ca 0.28 0.29 0.24 0.00 3.32 0.00 0.00 57.90 62.03 3b7b n TYR 921 Cb 0.34 -0.45 0.47 0.00 -0.63 0.00 0.00 39.34 39.07 3b7b n TYR 921 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3b7b h ASP 922 N 0.00 0.28 0.12 2.98 3.32 -1.94 0.13 116.42 121.31 3b7b h ASP 922 Ca 0.04 0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 3b7b h ASP 922 Cb 0.10 0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3b7b h ASP 922 CO -0.22 -0.26 -0.06 0.00 -1.72 0.00 0.00 179.24 176.98 3b7b h VAL 924 N -0.57 1.16 -0.69 0.00 -1.51 -0.29 0.35 116.25 114.70 3b7b h VAL 924 Ca -0.02 -0.39 -0.00 0.00 -1.23 0.00 0.00 66.70 65.06 3b7b h VAL 924 Cb 0.45 -0.08 -0.03 0.00 -2.13 0.00 0.00 31.29 29.50 3b7b h VAL 924 CO 0.03 0.21 0.42 0.58 -1.23 0.00 0.00 177.57 177.58 3b7b h VAL 925 N 1.14 1.20 -0.37 7.19 2.07 -0.65 0.48 116.25 127.30 3b7b h VAL 925 Ca 0.35 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 3b7b h VAL 925 Cb -0.00 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 3b7b h VAL 925 CO -0.10 0.21 0.05 0.25 0.02 0.00 0.00 177.57 177.99 3b7b h LEU 926 N 0.95 0.60 -0.32 2.57 5.85 0.35 0.02 115.31 125.32 3b7b h LEU 926 Ca 0.25 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 3b7b h LEU 926 Cb -0.03 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3b7b h LEU 926 CO -0.05 0.72 0.09 -0.26 -0.34 0.00 0.00 178.44 178.60 3b7b h PHE 927 N 0.45 0.53 -0.62 1.25 0.05 0.19 -2.22 116.94 116.58 3b7b h PHE 927 Ca 0.11 -0.06 -0.09 0.00 3.82 0.00 0.00 57.97 61.75 3b7b h PHE 927 Cb 0.38 -0.15 -0.02 0.00 2.00 0.00 0.00 35.95 38.16 3b7b h PHE 927 CO 0.03 0.55 0.01 -0.07 -0.18 0.00 0.00 178.31 178.65 3b7b h LEU 928 N 0.36 1.05 0.00 1.54 3.38 -0.03 -0.17 115.31 121.44 3b7b h LEU 928 Ca 0.10 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3b7b h LEU 928 Cb 0.28 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3b7b h LEU 928 CO -0.00 1.10 0.00 -1.54 0.09 0.00 0.00 178.44 178.09 3b7b n SER 929 N -4.19 0.00 -0.07 -0.43 3.41 -0.01 -1.91 113.62 110.41 3b7b n SER 929 Ca 0.03 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.69 3b7b n SER 929 Cb 0.34 -0.24 0.08 0.00 -0.26 0.00 0.00 64.21 64.13 3b7b n SER 929 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3b7b n ARG 930 N -1.24 2.19 -2.30 4.33 3.00 -0.16 -5.03 116.66 117.45 3b7b n ARG 930 Ca 0.07 -2.06 -0.08 0.00 -0.00 0.00 0.00 57.85 55.79 3b7b n ARG 930 Cb 0.10 -1.26 0.00 0.00 0.00 0.00 0.00 32.46 31.30 3b7b n ARG 930 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3b7b n ASP 931 N -0.92 -2.94 -4.76 6.15 8.00 -0.68 -5.00 116.55 116.40 3b7b n ASP 931 Ca 0.08 -0.05 -0.37 0.00 0.71 0.00 0.00 54.79 55.17 3b7b n ASP 931 Cb 0.45 -2.10 0.01 0.00 -0.02 0.00 0.00 41.12 39.46 3b7b n ASP 931 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3b7b s SER 932 N -2.75 5.75 -0.29 -2.24 0.01 -0.82 -4.92 113.70 108.43 3b7b s SER 932 Ca 0.04 2.41 -0.29 0.00 1.31 0.00 0.00 55.95 59.43 3b7b s SER 932 Cb -0.02 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.62 3b7b s SER 932 CO 0.05 -1.21 1.05 -0.62 0.41 0.00 0.00 173.24 172.92 3b7b s ASP 933 N -1.35 6.97 0.11 2.44 -1.08 -1.26 -4.83 116.67 117.67 3b7b s ASP 933 Ca 0.69 1.13 0.19 0.00 -0.52 0.00 0.00 52.55 54.04 3b7b s ASP 933 Cb -0.31 -2.53 0.81 0.00 -1.46 0.00 0.00 42.92 39.42 3b7b s ASP 933 CO 0.37 -0.80 1.60 0.52 0.52 0.00 0.00 175.17 177.38 3b7b n VAL 934 N 5.68 0.86 -0.08 1.11 0.31 -1.26 -3.45 118.33 121.50 3b7b n VAL 934 Ca 0.12 0.21 -0.21 0.00 -0.01 0.00 0.00 64.34 64.44 3b7b n VAL 934 Cb 0.47 -1.02 -0.12 0.00 -0.91 0.00 0.00 33.84 32.25 3b7b n VAL 934 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3b7b h THR 935 N 0.00 0.95 -0.26 2.52 1.35 -1.99 -3.35 112.91 112.12 3b7b h THR 935 Ca 0.00 -2.23 -0.29 0.00 -0.55 0.00 0.00 66.41 63.34 3b7b h THR 935 Cb 0.33 2.39 -0.00 0.00 -1.73 0.00 0.00 68.15 69.13 3b7b h THR 935 CO 0.00 0.45 0.28 -0.11 -0.25 0.00 0.00 175.52 175.89 3b7b n LEU 936 N -4.27 0.37 -4.97 3.87 7.94 -1.22 -4.58 117.00 114.15 3b7b n LEU 936 Ca -0.30 0.36 -0.22 0.00 -1.11 0.00 0.00 56.01 54.75 3b7b n LEU 936 Cb 0.74 -0.30 0.02 0.00 0.53 0.00 0.00 43.42 44.41 3b7b n LEU 936 CO 0.25 -0.28 0.29 -0.54 -1.11 0.00 0.00 177.39 176.00 3b7b s LYS 937 N 1.23 2.87 0.52 1.96 1.02 -1.25 -3.96 119.74 122.13 3b7b s LYS 937 Ca 0.37 -0.68 0.03 0.00 0.02 0.00 0.00 55.97 55.70 3b7b s LYS 937 Cb -0.51 -2.57 0.01 0.00 -0.52 0.00 0.00 37.83 34.24 3b7b s LYS 937 CO 0.27 -0.40 0.16 0.54 -0.92 0.00 0.00 175.35 174.99 3b7b s ASN 938 N -4.30 4.33 0.00 2.83 2.20 -0.44 -4.89 114.94 114.68 3b7b s ASN 938 Ca 0.52 -1.49 0.00 0.00 -0.94 0.00 0.00 52.86 50.95 3b7b s ASN 938 Cb -0.10 0.46 0.00 0.00 -2.00 0.00 0.00 41.25 39.61 3b7b s ASN 938 CO 0.37 -0.94 0.17 1.17 -2.94 0.00 0.00 177.10 174.93 3b7b n LYS 939 N -1.46 0.00 -0.03 3.55 3.00 -0.30 0.26 118.16 123.18 3b7b n LYS 939 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.19 3b7b n LYS 939 Cb 0.66 -1.39 0.01 0.00 0.00 0.00 0.00 35.03 34.31 3b7b n LYS 939 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3b7b n GLU 940 N -0.61 1.24 -0.17 1.64 2.13 -1.26 -5.02 120.64 118.58 3b7b n GLU 940 Ca 0.00 -1.02 0.00 0.00 0.66 0.00 0.00 57.16 56.80 3b7b n GLU 940 Cb 0.00 -0.74 0.00 0.00 0.27 0.00 0.00 31.44 30.97 3b7b n GLU 940 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3b7b n GLY 941 N -0.27 1.24 3.78 8.31 0.00 0.14 -5.05 105.19 113.35 3b7b n GLY 941 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 3b7b n GLY 941 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3b7b s GLU 942 N -0.50 4.53 0.00 1.61 2.02 -1.26 -4.67 118.70 120.43 3b7b s GLU 942 Ca 0.00 1.19 0.00 0.00 0.02 0.00 0.00 54.97 56.18 3b7b s GLU 942 Cb 0.00 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 31.22 3b7b s GLU 942 CO 0.00 0.42 0.00 0.25 0.02 0.00 0.00 175.26 175.95 3b7b n THR 943 N 1.00 0.00 0.12 3.63 -2.24 -1.26 -1.32 114.28 114.20 3b7b n THR 943 Ca -0.02 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.53 3b7b n THR 943 Cb 0.50 -1.68 -0.15 0.00 -2.10 0.00 0.00 70.33 66.90 3b7b n THR 943 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3b7b h PRO 944 N 0.00 0.55 -0.93 -0.78 0.13 -1.70 -3.34 132.00 125.93 3b7b h PRO 944 Ca 0.00 -0.85 0.08 0.00 -0.87 0.00 0.00 66.00 64.36 3b7b h PRO 944 Cb 0.00 0.30 -0.07 0.00 0.13 0.00 0.00 31.00 31.36 3b7b h PRO 944 CO 0.00 1.40 0.58 1.25 -0.23 0.00 0.00 178.00 180.99 3b7b h LEU 945 N 0.13 0.88 0.00 1.56 5.85 -1.94 0.16 115.31 121.96 3b7b h LEU 945 Ca -0.22 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3b7b h LEU 945 Cb 2.02 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.89 3b7b h LEU 945 CO 0.25 0.53 0.00 0.00 -0.34 0.00 0.00 178.44 178.88 3b7b n GLN 946 N -4.61 0.25 -0.01 1.25 6.02 -1.26 -1.85 117.38 117.18 3b7b n GLN 946 Ca 0.15 0.12 0.09 0.00 -0.01 0.00 0.00 57.00 57.35 3b7b n GLN 946 Cb 0.24 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 29.88 3b7b n GLN 946 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3b7b s ALA 948 N -3.03 2.20 0.10 0.00 0.00 -0.77 -3.99 121.76 116.28 3b7b s ALA 948 Ca -0.02 0.37 -0.24 0.00 0.00 0.00 0.00 51.96 52.07 3b7b s ALA 948 Cb 0.12 -3.31 -0.07 0.00 0.00 0.00 0.00 23.12 19.86 3b7b s ALA 948 CO 0.72 -1.80 0.72 0.45 0.00 0.00 0.00 175.76 175.85 3b7b s SER 949 N -3.13 7.25 0.11 0.00 0.15 -1.26 -4.95 113.70 111.86 3b7b s SER 949 Ca 0.63 1.48 -0.32 0.00 0.70 0.00 0.00 55.95 58.45 3b7b s SER 949 Cb -0.19 -2.45 -0.11 0.00 -1.71 0.00 0.00 66.02 61.56 3b7b s SER 949 CO 0.53 0.16 1.83 -0.11 1.20 0.00 0.00 173.24 176.86 3b7b n LEU 950 N 2.02 3.93 0.00 3.45 0.00 -1.26 -1.99 117.00 123.15 3b7b n LEU 950 Ca -0.06 0.99 0.00 0.00 0.00 0.00 0.00 56.01 56.94 3b7b n LEU 950 Cb 0.50 -1.52 0.00 0.00 0.00 0.00 0.00 43.42 42.39 3b7b n LEU 950 CO 0.45 0.13 0.00 0.59 0.00 0.00 0.00 177.39 178.56 3b7b n ASN 951 N 5.64 -1.95 -4.29 1.96 3.02 -1.26 -5.00 115.26 113.37 3b7b n ASN 951 Ca 0.18 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.44 3b7b n ASN 951 Cb 0.36 -1.18 0.18 0.00 -0.61 0.00 0.00 39.78 38.53 3b7b n ASN 951 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3b7b s SER 952 N -2.34 2.85 0.19 6.41 1.04 -0.84 -4.88 113.70 116.12 3b7b s SER 952 Ca 0.00 0.56 0.02 0.00 0.48 0.00 0.00 55.95 57.02 3b7b s SER 952 Cb 0.00 -0.82 0.08 0.00 0.10 0.00 0.00 66.02 65.38 3b7b s SER 952 CO 0.00 -2.92 1.44 1.56 0.98 0.00 0.00 173.24 174.29 3b7b h GLN 953 N -1.76 0.23 0.50 4.02 4.20 -1.95 -2.31 115.11 118.04 3b7b h GLN 953 Ca -0.46 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.01 3b7b h GLN 953 Cb 1.28 0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.12 3b7b h GLN 953 CO 0.46 0.90 -0.24 0.28 -0.67 0.00 0.00 178.83 179.56 3b7b h VAL 954 N 0.15 0.50 -0.85 -0.54 2.07 -1.92 0.40 116.25 116.05 3b7b h VAL 954 Ca -0.03 -0.15 0.19 0.00 0.82 0.00 0.00 66.70 67.53 3b7b h VAL 954 Cb 1.37 0.57 -0.12 0.00 -1.52 0.00 0.00 31.29 31.59 3b7b h VAL 954 CO 0.12 0.03 0.34 -0.25 0.02 0.00 0.00 177.57 177.83 3b7b h TRP 955 N -0.76 0.57 -0.30 1.57 7.01 -1.71 0.16 115.95 122.49 3b7b h TRP 955 Ca -0.07 0.04 -0.06 0.00 2.11 0.00 0.00 58.89 60.91 3b7b h TRP 955 Cb 0.55 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.48 3b7b h TRP 955 CO -0.02 -0.02 -0.05 1.03 -2.79 0.00 0.00 178.44 176.59 3b7b h SER 956 N 0.40 0.57 -0.16 2.65 0.87 -1.10 -1.27 113.55 115.52 3b7b h SER 956 Ca 0.51 -0.34 -0.07 0.00 -1.23 0.00 0.00 61.79 60.65 3b7b h SER 956 Cb 0.90 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.69 3b7b h SER 956 CO -0.50 0.78 -0.12 0.00 -0.53 0.00 0.00 176.83 176.46 3b7b h ALA 957 N 0.81 1.23 -0.22 6.23 0.00 1.00 -1.91 119.26 126.40 3b7b h ALA 957 Ca 0.08 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 3b7b h ALA 957 Cb 0.51 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3b7b h ALA 957 CO 0.02 0.50 -0.52 -0.07 0.00 0.00 0.00 179.25 179.18 3b7b h LEU 958 N 0.48 0.85 0.27 0.00 3.38 -0.69 -2.08 115.31 117.50 3b7b h LEU 958 Ca 0.09 -0.56 0.01 0.00 0.09 0.00 0.00 57.88 57.50 3b7b h LEU 958 Cb 0.49 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3b7b h LEU 958 CO 0.03 1.25 -0.46 1.56 0.09 0.00 0.00 178.44 180.91 3b7b h GLN 959 N 0.48 -0.77 -0.67 1.13 1.08 -0.99 0.51 115.11 115.88 3b7b h GLN 959 Ca -0.00 0.05 0.14 0.00 -1.45 0.00 0.00 58.65 57.39 3b7b h GLN 959 Cb 1.13 0.17 -0.10 0.00 -0.05 0.00 0.00 27.48 28.64 3b7b h GLN 959 CO 0.11 -0.51 0.15 1.98 -0.95 0.00 0.00 178.83 179.61 3b7b h MET 960 N -0.80 0.25 0.20 1.46 4.05 -1.40 0.25 114.93 118.96 3b7b h MET 960 Ca -0.01 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 3b7b h MET 960 Cb 0.76 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.50 3b7b h MET 960 CO -0.18 0.17 -0.10 1.03 0.23 0.00 0.00 176.91 178.06 3b7b h SER 961 N 0.26 -0.23 -0.26 1.39 0.87 -0.61 0.42 113.55 115.39 3b7b h SER 961 Ca 0.36 -0.08 0.06 0.00 -1.23 0.00 0.00 61.79 60.91 3b7b h SER 961 Cb 0.58 0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 62.53 3b7b h SER 961 CO -0.46 -0.07 -0.19 0.11 -0.53 0.00 0.00 176.83 175.69 3b7b h LYS 962 N -0.38 -0.17 0.80 2.24 1.57 0.84 -2.58 116.57 118.89 3b7b h LYS 962 Ca -0.03 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 3b7b h LYS 962 Cb 0.29 0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.65 3b7b h LYS 962 CO 0.05 -0.12 -0.39 0.00 -0.57 0.00 0.00 179.45 178.42 3b7b h ALA 963 N 0.96 -1.08 0.00 3.86 0.00 -0.30 -2.11 119.26 120.58 3b7b h ALA 963 Ca 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3b7b h ALA 963 Cb 0.40 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3b7b h ALA 963 CO -0.37 -1.07 0.29 1.47 0.00 0.00 0.00 179.25 179.57 3b7b n LEU 964 N -5.53 0.09 -0.08 0.00 -0.00 0.15 -0.47 117.00 111.16 3b7b n LEU 964 Ca -0.15 0.33 -0.09 0.00 -0.00 0.00 0.00 56.01 56.10 3b7b n LEU 964 Cb 0.44 -0.30 -0.04 0.00 -0.00 0.00 0.00 43.42 43.51 3b7b n LEU 964 CO 0.37 -0.36 -0.46 0.00 -0.00 0.00 0.00 177.39 176.95 3b7b n GLN 965 N -1.49 0.49 -0.07 1.47 3.00 -0.95 -4.27 117.38 115.55 3b7b n GLN 965 Ca -0.00 0.50 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 3b7b n GLN 965 Cb 0.30 -1.67 0.00 0.00 0.00 0.00 0.00 30.24 28.87 3b7b n GLN 965 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 3b7b n ASP 966 N -4.55 1.41 0.00 1.08 5.75 0.38 -5.13 116.55 115.49 3b7b n ASP 966 Ca -0.14 -1.02 0.00 0.00 -0.01 0.00 0.00 54.79 53.61 3b7b n ASP 966 Cb 0.39 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 3b7b n ASP 966 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55