#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u89 h SER 752 N 0.00 0.42 0.00 1.61 0.02 -2.10 -3.37 113.55 110.13 1u89 h SER 752 Ca 0.00 -0.40 -0.05 0.00 -0.84 0.00 0.00 61.79 60.50 1u89 h SER 752 Cb 0.00 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1u89 h SER 752 CO 0.00 0.72 -1.26 1.57 -1.14 0.00 0.00 176.83 176.72 1u89 n HIS 753 N -4.58 0.00 -2.60 3.45 -0.00 -1.26 -4.98 115.22 105.25 1u89 n HIS 753 Ca -0.05 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.25 1u89 n HIS 753 Cb 0.31 -0.17 -0.03 0.00 -0.00 0.00 0.00 29.99 30.10 1u89 n HIS 753 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1u89 s MET 754 N -2.18 4.44 0.61 1.57 1.75 -1.26 -5.04 119.30 119.18 1u89 s MET 754 Ca -0.02 1.52 -0.10 0.00 -1.25 0.00 0.00 55.69 55.84 1u89 s MET 754 Cb 0.02 -3.50 0.14 0.00 2.84 0.00 0.00 34.83 34.33 1u89 s MET 754 CO 0.18 -0.27 0.74 1.04 -0.65 0.00 0.00 175.02 176.06 1u89 n GLN 755 N 4.63 -1.14 -4.38 4.11 3.00 -1.26 -2.81 117.38 119.54 1u89 n GLN 755 Ca 0.09 -1.15 -0.30 0.00 -0.01 0.00 0.00 57.00 55.62 1u89 n GLN 755 Cb 0.48 -0.84 -0.16 0.00 0.00 0.00 0.00 30.24 29.72 1u89 n GLN 755 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1u89 s ALA 756 N -3.74 1.95 -0.06 -1.58 0.00 -1.26 -4.63 121.76 112.44 1u89 s ALA 756 Ca 0.43 -0.92 -0.04 0.00 0.00 0.00 0.00 51.96 51.43 1u89 s ALA 756 Cb -0.02 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 1u89 s ALA 756 CO 0.31 -0.16 0.13 0.00 0.00 0.00 0.00 175.76 176.04 1u89 s ALA 757 N 1.09 3.79 -0.09 0.00 0.00 -1.26 -5.07 121.76 120.21 1u89 s ALA 757 Ca -0.03 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.89 1u89 s ALA 757 Cb -0.14 -1.81 -0.02 0.00 0.00 0.00 0.00 23.12 21.14 1u89 s ALA 757 CO -0.05 0.67 1.17 0.95 0.00 0.00 0.00 175.76 178.51 1u89 s THR 758 N -1.15 4.36 0.39 0.00 -4.23 -1.26 -5.03 115.64 108.72 1u89 s THR 758 Ca 0.21 1.67 0.08 0.00 -1.18 0.00 0.00 61.69 62.46 1u89 s THR 758 Cb -0.12 -4.07 -0.00 0.00 1.34 0.00 0.00 72.50 69.64 1u89 s THR 758 CO 0.11 -0.03 0.48 -1.61 -0.54 0.00 0.00 174.62 173.03 1u89 s GLU 759 N 2.47 2.84 0.00 3.99 0.41 -1.26 -5.02 118.70 122.13 1u89 s GLU 759 Ca 0.54 -1.24 0.00 0.00 -0.41 0.00 0.00 54.97 53.86 1u89 s GLU 759 Cb -0.23 -2.68 0.00 0.00 -1.78 0.00 0.00 34.13 29.44 1u89 s GLU 759 CO 0.19 -0.14 0.11 -3.47 -0.49 0.00 0.00 175.26 171.46 1u89 n ASP 760 N -1.70 0.21 -0.35 -0.19 2.03 -1.26 -5.01 116.55 110.29 1u89 n ASP 760 Ca 0.04 -0.64 0.00 0.00 0.52 0.00 0.00 54.79 54.71 1u89 n ASP 760 Cb 0.59 0.17 0.00 0.00 -0.72 0.00 0.00 41.12 41.16 1u89 n ASP 760 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1u89 n GLY 761 N 0.17 0.81 2.41 0.27 0.00 -1.26 -4.96 105.19 102.63 1u89 n GLY 761 Ca 0.00 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 1u89 n GLY 761 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u89 n GLN 762 N -0.35 3.32 0.11 1.61 10.64 -1.26 -4.62 117.38 126.82 1u89 n GLN 762 Ca 0.00 -2.10 -0.13 0.00 -1.83 0.00 0.00 57.00 52.94 1u89 n GLN 762 Cb 0.26 -2.78 -0.08 0.00 -0.86 0.00 0.00 30.24 26.78 1u89 n GLN 762 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 1u89 h LEU 763 N 7.61 -0.19 0.00 2.61 -0.00 -1.94 -0.63 115.31 122.78 1u89 h LEU 763 Ca 0.78 -0.10 -0.08 0.00 -0.00 0.00 0.00 57.88 58.48 1u89 h LEU 763 Cb 0.30 0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 40.99 1u89 h LEU 763 CO 1.74 -0.02 -1.23 0.18 -0.00 0.00 0.00 178.44 179.12 1u89 n LEU 764 N -5.13 0.82 -0.00 1.67 4.77 -1.26 -3.40 117.00 114.46 1u89 n LEU 764 Ca -0.09 0.34 -0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1u89 n LEU 764 Cb 0.16 0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1u89 n LEU 764 CO 0.34 -0.03 0.04 -0.09 -1.33 0.00 0.00 177.39 176.31 1u89 h ARG 765 N 0.00 -0.03 0.37 3.23 1.12 -1.89 -2.96 114.38 114.22 1u89 h ARG 765 Ca -0.08 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.78 1u89 h ARG 765 Cb 1.27 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.24 1u89 h ARG 765 CO 0.02 -0.02 -0.18 0.78 -3.11 0.00 0.00 179.97 177.46 1u89 h GLY 766 N -0.34 -0.52 1.02 2.80 0.00 -1.34 -0.88 103.07 103.80 1u89 h GLY 766 Ca -0.00 0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 1u89 h GLY 766 CO 0.01 -0.19 0.54 -2.08 0.00 0.00 0.00 176.54 174.81 1u89 h VAL 767 N -0.97 1.25 0.05 4.60 2.07 -1.55 -0.12 116.25 121.58 1u89 h VAL 767 Ca -0.05 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 1u89 h VAL 767 Cb 0.53 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1u89 h VAL 767 CO 0.08 0.26 -0.03 1.23 0.02 0.00 0.00 177.57 179.14 1u89 h GLY 768 N 1.24 -0.07 0.96 2.17 0.00 -1.53 0.24 103.07 106.07 1u89 h GLY 768 Ca 0.32 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.66 1u89 h GLY 768 CO -0.06 -0.03 0.19 0.00 0.00 0.00 0.00 176.54 176.65 1u89 h ALA 769 N 0.81 0.58 -0.14 3.60 0.00 -0.93 -0.57 119.26 122.61 1u89 h ALA 769 Ca -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1u89 h ALA 769 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1u89 h ALA 769 CO 0.01 0.17 0.02 0.00 0.00 0.00 0.00 179.25 179.45 1u89 h ALA 770 N 1.04 0.19 -0.70 0.00 0.00 -0.91 -0.12 119.26 118.75 1u89 h ALA 770 Ca 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1u89 h ALA 770 Cb 0.16 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1u89 h ALA 770 CO -0.02 -0.15 0.39 0.00 0.00 0.00 0.00 179.25 179.47 1u89 h ALA 771 N 0.80 0.89 -0.79 0.00 0.00 -0.45 -1.50 119.26 118.22 1u89 h ALA 771 Ca 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1u89 h ALA 771 Cb 0.30 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1u89 h ALA 771 CO 0.00 0.40 0.36 1.15 0.00 0.00 0.00 179.25 181.16 1u89 h THR 772 N 0.96 1.25 -0.67 0.00 2.02 -0.99 -1.47 112.91 114.02 1u89 h THR 772 Ca 0.25 -0.74 0.01 0.00 0.77 0.00 0.00 66.41 66.69 1u89 h THR 772 Cb 0.02 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 1u89 h THR 772 CO -0.04 0.31 0.44 0.00 0.37 0.00 0.00 175.52 176.60 1u89 h ALA 773 N 1.19 0.85 -0.00 6.16 0.00 -0.32 0.30 119.26 127.43 1u89 h ALA 773 Ca 0.27 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1u89 h ALA 773 Cb 0.15 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1u89 h ALA 773 CO -0.03 0.28 0.00 0.28 0.00 0.00 0.00 179.25 179.78 1u89 h VAL 774 N 0.91 1.22 -1.00 0.00 2.07 -1.05 0.24 116.25 118.63 1u89 h VAL 774 Ca 0.24 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 67.16 1u89 h VAL 774 Cb -0.10 1.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 1u89 h VAL 774 CO -0.05 0.17 0.66 0.74 0.02 0.00 0.00 177.57 179.10 1u89 h THR 775 N -0.26 1.16 -0.14 2.57 2.02 -1.00 0.21 112.91 117.47 1u89 h THR 775 Ca 0.00 -0.43 -0.07 0.00 0.77 0.00 0.00 66.41 66.68 1u89 h THR 775 Cb 0.27 -0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.48 1u89 h THR 775 CO 0.00 0.23 -0.19 1.56 0.37 0.00 0.00 175.52 177.49 1u89 h GLN 776 N 1.26 0.37 -0.73 6.66 1.08 -0.27 -0.70 115.11 122.77 1u89 h GLN 776 Ca 0.41 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 1u89 h GLN 776 Cb 0.03 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.44 1u89 h GLN 776 CO -0.13 0.79 0.47 0.00 -0.95 0.00 0.00 178.83 179.01 1u89 h ALA 777 N 0.57 0.93 -0.46 3.87 0.00 -0.13 0.24 119.26 124.27 1u89 h ALA 777 Ca 0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1u89 h ALA 777 Cb 0.75 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1u89 h ALA 777 CO 0.04 0.37 0.19 1.25 0.00 0.00 0.00 179.25 181.10 1u89 h LEU 778 N 0.99 0.63 -1.02 0.00 5.85 -0.58 -1.69 115.31 119.49 1u89 h LEU 778 Ca 0.27 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 1u89 h LEU 778 Cb -0.08 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 1u89 h LEU 778 CO -0.05 0.63 0.22 0.78 -0.34 0.00 0.00 178.44 179.67 1u89 h ASN 779 N 0.60 0.85 -0.31 1.25 2.35 -0.57 0.22 115.58 119.97 1u89 h ASN 779 Ca 0.15 -0.13 0.02 0.00 -0.55 0.00 0.00 56.30 55.79 1u89 h ASN 779 Cb 0.19 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1u89 h ASN 779 CO -0.01 0.78 0.17 -0.33 -1.65 0.00 0.00 177.43 176.39 1u89 h GLU 780 N 0.90 0.34 -0.48 0.81 4.39 -0.16 -1.08 114.58 119.31 1u89 h GLU 780 Ca 0.21 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.77 1u89 h GLU 780 Cb 0.22 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1u89 h GLU 780 CO -0.01 0.23 -0.17 1.25 -1.16 0.00 0.00 179.01 179.14 1u89 h LEU 781 N 0.35 0.95 0.12 1.33 5.85 -0.92 -2.74 115.31 120.25 1u89 h LEU 781 Ca 0.13 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.52 1u89 h LEU 781 Cb 0.02 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 1u89 h LEU 781 CO -0.07 1.11 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.84 1u89 h LEU 782 N 0.83 -0.64 -0.58 2.25 3.38 0.05 0.49 115.31 121.08 1u89 h LEU 782 Ca 0.12 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.18 1u89 h LEU 782 Cb 0.73 0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1u89 h LEU 782 CO 0.06 -0.32 0.37 1.56 0.09 0.00 0.00 178.44 180.20 1u89 h GLN 783 N -0.43 0.71 -0.25 1.13 4.20 -1.25 -1.32 115.11 117.90 1u89 h GLN 783 Ca 0.03 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1u89 h GLN 783 Cb 0.45 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1u89 h GLN 783 CO -0.13 0.47 0.07 1.25 -0.67 0.00 0.00 178.83 179.83 1u89 h HIS 784 N 0.73 0.41 -0.35 2.96 2.76 -1.12 -3.10 115.15 117.44 1u89 h HIS 784 Ca 0.23 -0.04 -0.06 0.00 -2.20 0.00 0.00 60.37 58.30 1u89 h HIS 784 Cb -0.02 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 28.81 1u89 h HIS 784 CO -0.05 0.46 -0.00 0.28 -1.30 0.00 0.00 177.93 177.32 1u89 h VAL 785 N 0.23 1.26 -0.81 5.26 2.07 0.16 -1.44 116.25 122.97 1u89 h VAL 785 Ca 0.08 -0.98 0.11 0.00 0.82 0.00 0.00 66.70 66.73 1u89 h VAL 785 Cb 0.25 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 1u89 h VAL 785 CO -0.00 0.32 0.53 0.11 0.02 0.00 0.00 177.57 178.55 1u89 h LYS 786 N 0.43 0.67 -0.33 1.57 1.57 -1.21 -1.88 116.57 117.38 1u89 h LYS 786 Ca 0.10 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1u89 h LYS 786 Cb 0.46 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1u89 h LYS 786 CO 0.02 0.44 0.00 0.00 -0.57 0.00 0.00 179.45 179.34 1u89 n ALA 787 N -2.45 2.25 -3.14 3.86 0.00 -1.18 -4.65 120.51 115.20 1u89 n ALA 787 Ca 0.14 -1.07 -0.18 0.00 0.00 0.00 0.00 53.44 52.34 1u89 n ALA 787 Cb 0.37 -0.49 -0.02 0.00 0.00 0.00 0.00 19.45 19.31 1u89 n ALA 787 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1u89 n HIS 788 N 0.68 -0.29 -3.77 0.00 8.25 -0.55 -5.06 115.22 114.48 1u89 n HIS 788 Ca 0.12 -3.57 -0.27 0.00 -0.26 0.00 0.00 57.72 53.74 1u89 n HIS 788 Cb 0.43 -0.17 -0.17 0.00 1.12 0.00 0.00 29.99 31.21 1u89 n HIS 788 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u89 s ALA 789 N -1.89 1.10 0.30 -1.41 0.00 -1.20 -4.71 121.76 113.96 1u89 s ALA 789 Ca 0.37 -0.69 0.07 0.00 0.00 0.00 0.00 51.96 51.71 1u89 s ALA 789 Cb 0.31 -1.14 -0.06 0.00 0.00 0.00 0.00 23.12 22.23 1u89 s ALA 789 CO -0.09 -1.04 -0.05 0.99 0.00 0.00 0.00 175.76 175.58 1u89 s THR 790 N 1.81 1.71 0.00 0.00 2.01 -1.26 -4.37 115.64 115.53 1u89 s THR 790 Ca -0.00 -2.12 0.00 0.00 0.31 0.00 0.00 61.69 59.88 1u89 s THR 790 Cb -0.16 -2.55 0.00 0.00 0.01 0.00 0.00 72.50 69.79 1u89 s THR 790 CO -0.07 -0.23 0.00 0.61 -0.69 0.00 0.00 174.62 174.23 1u89 n GLY 791 N -0.65 1.85 2.35 4.40 0.00 -1.26 -4.42 105.19 107.45 1u89 n GLY 791 Ca -0.05 0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1u89 n GLY 791 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u89 n ALA 792 N 4.52 7.08 -0.00 4.61 0.00 -1.26 -4.74 120.51 130.71 1u89 n ALA 792 Ca 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 53.44 50.22 1u89 n ALA 792 Cb 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 19.45 16.17 1u89 n ALA 792 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u89 n GLY 793 N 3.57 0.55 0.25 0.00 0.00 -1.26 -4.85 105.19 103.45 1u89 n GLY 793 Ca 0.72 -1.29 0.16 0.00 0.00 0.00 0.00 46.02 45.62 1u89 n GLY 793 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1u89 h PRO 794 N 0.00 0.00 0.00 1.61 0.11 -1.85 -3.39 132.00 128.48 1u89 h PRO 794 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1u89 h PRO 794 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1u89 h PRO 794 CO 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.79 1u89 n ALA 795 N -2.04 0.00 -2.30 -0.75 0.00 -1.26 -4.65 120.51 109.50 1u89 n ALA 795 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.28 1u89 n ALA 795 Cb 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.76 1u89 n ALA 795 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u89 n GLY 796 N 0.00 -0.27 0.12 0.00 0.00 -1.26 -4.90 105.19 98.88 1u89 n GLY 796 Ca 0.00 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 1u89 n GLY 796 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u89 n ARG 797 N -2.67 0.56 -0.78 1.61 1.74 -1.26 -4.75 116.66 111.10 1u89 n ARG 797 Ca -0.21 0.26 0.03 0.00 -0.77 0.00 0.00 57.85 57.17 1u89 n ARG 797 Cb 0.65 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 30.65 1u89 n ARG 797 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1u89 n TYR 798 N -4.35 0.00 0.03 -1.55 4.01 -1.26 -4.88 117.16 109.16 1u89 n TYR 798 Ca -0.37 -0.45 -0.00 0.00 -0.16 0.00 0.00 57.90 56.92 1u89 n TYR 798 Cb 0.72 -0.12 0.29 0.00 -0.31 0.00 0.00 39.34 39.93 1u89 n TYR 798 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 1u89 h ASP 799 N 0.43 0.43 0.10 7.72 3.58 -1.96 -1.63 116.42 125.10 1u89 h ASP 799 Ca -0.08 -0.10 -0.28 0.00 0.42 0.00 0.00 57.03 57.00 1u89 h ASP 799 Cb 1.47 -0.11 0.02 0.00 1.72 0.00 0.00 39.33 42.43 1u89 h ASP 799 CO 0.03 0.57 -1.13 -0.61 -2.88 0.00 0.00 179.24 175.22 1u89 h GLN 800 N 0.43 0.64 -0.17 0.28 5.75 -1.95 -2.91 115.11 117.17 1u89 h GLN 800 Ca 0.09 -0.76 -0.01 0.00 -0.15 0.00 0.00 58.65 57.82 1u89 h GLN 800 Cb 0.42 0.23 -0.01 0.00 1.07 0.00 0.00 27.48 29.20 1u89 h GLN 800 CO 0.02 1.33 0.09 0.00 -2.65 0.00 0.00 178.83 177.62 1u89 h ALA 801 N 0.39 0.22 -0.81 3.38 0.00 -1.83 -0.96 119.26 119.65 1u89 h ALA 801 Ca -0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1u89 h ALA 801 Cb 1.79 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.47 1u89 h ALA 801 CO 0.22 -0.23 0.46 1.79 0.00 0.00 0.00 179.25 181.49 1u89 h THR 802 N 0.17 1.24 -0.02 0.00 1.35 -1.41 -1.41 112.91 112.82 1u89 h THR 802 Ca 0.06 -0.56 0.01 0.00 -0.55 0.00 0.00 66.41 65.37 1u89 h THR 802 Cb 0.10 0.13 -0.01 0.00 -1.73 0.00 0.00 68.15 66.64 1u89 h THR 802 CO -0.01 0.26 -0.03 -0.78 -0.25 0.00 0.00 175.52 174.71 1u89 h ASP 803 N 1.12 -0.08 -0.17 5.36 3.58 -1.28 -1.33 116.42 123.63 1u89 h ASP 803 Ca 0.29 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.75 1u89 h ASP 803 Cb 0.00 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 1u89 h ASP 803 CO -0.05 -0.04 0.10 0.74 -2.88 0.00 0.00 179.24 177.11 1u89 h THR 804 N -0.04 1.09 0.06 2.25 2.02 -0.89 -1.99 112.91 115.41 1u89 h THR 804 Ca 0.02 -0.22 0.01 0.00 0.77 0.00 0.00 66.41 66.98 1u89 h THR 804 Cb 0.06 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1u89 h THR 804 CO -0.04 0.08 -0.09 0.40 0.37 0.00 0.00 175.52 176.24 1u89 h ILE 805 N 0.19 0.80 -0.29 3.11 2.04 -1.14 0.76 117.51 122.98 1u89 h ILE 805 Ca 0.06 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.99 1u89 h ILE 805 Cb 0.04 0.80 -0.07 0.00 -0.74 0.00 0.00 36.82 36.85 1u89 h ILE 805 CO -0.01 0.00 -0.15 0.25 0.00 0.00 0.00 178.15 178.23 1u89 h LEU 806 N -0.18 -0.52 -0.73 1.44 6.46 -1.17 0.99 115.31 121.61 1u89 h LEU 806 Ca 0.01 0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 1u89 h LEU 806 Cb 0.19 0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.36 1u89 h LEU 806 CO -0.04 -0.19 0.42 0.74 -0.62 0.00 0.00 178.44 178.75 1u89 h THR 807 N -0.12 1.21 0.20 1.05 2.02 -1.04 0.24 112.91 116.47 1u89 h THR 807 Ca 0.15 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 1u89 h THR 807 Cb 0.35 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1u89 h THR 807 CO -0.36 0.23 -0.09 0.58 0.37 0.00 0.00 175.52 176.24 1u89 h VAL 808 N 1.00 0.85 -0.77 3.16 2.07 -0.14 0.11 116.25 122.53 1u89 h VAL 808 Ca 0.26 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 1u89 h VAL 808 Cb -0.00 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1u89 h VAL 808 CO -0.05 0.05 0.32 0.74 0.02 0.00 0.00 177.57 178.66 1u89 h THR 809 N -0.37 1.25 -0.97 2.57 2.02 -0.67 -1.77 112.91 114.97 1u89 h THR 809 Ca -0.03 -0.79 0.02 0.00 0.77 0.00 0.00 66.41 66.38 1u89 h THR 809 Cb 0.29 0.32 -0.05 0.00 -1.74 0.00 0.00 68.15 66.97 1u89 h THR 809 CO 0.04 0.32 0.64 -0.08 0.37 0.00 0.00 175.52 176.82 1u89 h GLU 810 N 1.12 1.25 -0.62 6.66 4.57 -0.34 -2.03 114.58 125.20 1u89 h GLU 810 Ca 0.26 -0.08 -0.05 0.00 -1.18 0.00 0.00 59.36 58.32 1u89 h GLU 810 Cb 0.20 -0.28 -0.03 0.00 -0.16 0.00 0.00 28.75 28.48 1u89 h GLU 810 CO -0.02 0.83 0.20 -0.91 -1.18 0.00 0.00 179.01 177.92 1u89 h ASN 811 N 1.29 0.87 -0.78 1.04 2.35 0.04 -2.25 115.58 118.13 1u89 h ASN 811 Ca 0.37 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.97 1u89 h ASN 811 Cb -0.10 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.01 1u89 h ASN 811 CO -0.09 0.82 0.46 0.40 -1.65 0.00 0.00 177.43 177.36 1u89 h ILE 812 N 0.91 1.23 -0.44 2.81 2.04 -0.65 0.47 117.51 123.87 1u89 h ILE 812 Ca 0.20 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 1u89 h ILE 812 Cb 0.26 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 1u89 h ILE 812 CO -0.01 0.24 0.21 -0.26 0.00 0.00 0.00 178.15 178.33 1u89 h PHE 813 N 1.10 0.65 0.00 1.37 0.04 -1.03 -0.73 116.94 118.33 1u89 h PHE 813 Ca 0.28 -0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.92 1u89 h PHE 813 Cb -0.02 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 37.92 1u89 h PHE 813 CO 0.01 0.53 -0.48 0.77 -0.60 0.00 0.00 178.31 178.53 1u89 h SER 814 N 0.58 0.00 -0.55 2.17 0.02 -1.08 -3.04 113.55 111.64 1u89 h SER 814 Ca 0.15 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.99 1u89 h SER 814 Cb 0.13 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.61 1u89 h SER 814 CO -0.02 0.48 0.11 -1.20 -1.14 0.00 0.00 176.83 175.07 1u89 n SER 815 N -3.81 4.64 -4.56 3.07 7.64 0.11 -4.94 113.62 115.77 1u89 n SER 815 Ca -0.01 -3.16 -0.38 0.00 1.01 0.00 0.00 58.87 56.33 1u89 n SER 815 Cb 0.53 -0.68 -0.03 0.00 -1.01 0.00 0.00 64.21 63.02 1u89 n SER 815 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1u89 s MET 816 N -2.93 2.48 0.00 1.43 0.00 -0.31 -1.20 119.30 118.77 1u89 s MET 816 Ca 0.51 1.31 0.00 0.00 0.00 0.00 0.00 55.69 57.52 1u89 s MET 816 Cb 0.41 -4.47 0.00 0.00 0.00 0.00 0.00 34.83 30.77 1u89 s MET 816 CO 0.12 -2.86 0.00 0.41 0.00 0.00 0.00 175.02 172.69 1u89 n GLY 817 N 5.85 2.38 3.48 2.11 0.00 -1.26 -5.04 105.19 112.70 1u89 n GLY 817 Ca 0.31 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1u89 n GLY 817 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u89 s ASP 818 N -0.12 6.72 0.25 1.61 -1.08 -0.34 -4.78 116.67 118.93 1u89 s ASP 818 Ca 0.00 -2.19 -0.03 0.00 -0.52 0.00 0.00 52.55 49.81 1u89 s ASP 818 Cb 0.00 -2.43 0.46 0.00 -1.46 0.00 0.00 42.92 39.49 1u89 s ASP 818 CO 0.00 -1.06 1.78 0.00 0.52 0.00 0.00 175.17 176.41 1u89 h ALA 819 N 8.53 1.19 -0.54 3.66 0.00 -1.94 0.27 119.26 130.44 1u89 h ALA 819 Ca 0.21 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1u89 h ALA 819 Cb 0.98 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1u89 h ALA 819 CO 1.20 -0.04 0.35 0.78 0.00 0.00 0.00 179.25 181.54 1u89 h GLY 820 N 0.65 0.75 1.09 0.00 0.00 -1.96 0.96 103.07 104.57 1u89 h GLY 820 Ca 0.42 -0.28 -0.20 0.00 0.00 0.00 0.00 47.33 47.28 1u89 h GLY 820 CO -0.32 0.27 -0.67 -2.09 0.00 0.00 0.00 176.54 173.74 1u89 h GLU 821 N 0.72 0.74 -0.34 4.80 4.57 -1.69 -1.93 114.58 121.46 1u89 h GLU 821 Ca 0.20 -0.58 0.02 0.00 -1.18 0.00 0.00 59.36 57.81 1u89 h GLU 821 Cb -0.08 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1u89 h GLU 821 CO -0.04 1.19 0.19 0.52 -1.18 0.00 0.00 179.01 179.69 1u89 h MET 822 N 0.46 0.38 -0.71 1.92 2.86 -0.24 0.56 114.93 120.16 1u89 h MET 822 Ca -0.04 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 1u89 h MET 822 Cb 1.30 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.84 1u89 h MET 822 CO 0.14 0.25 0.29 0.28 1.06 0.00 0.00 176.91 178.93 1u89 h VAL 823 N 0.39 1.25 0.15 -2.22 2.07 -0.85 0.79 116.25 117.83 1u89 h VAL 823 Ca 0.13 -0.76 0.02 0.00 0.82 0.00 0.00 66.70 66.91 1u89 h VAL 823 Cb 0.01 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1u89 h VAL 823 CO -0.07 0.31 -0.27 -0.09 0.02 0.00 0.00 177.57 177.47 1u89 h ARG 824 N 1.01 -0.48 -0.73 1.57 2.43 -0.62 0.15 114.38 117.71 1u89 h ARG 824 Ca 0.24 0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.39 1u89 h ARG 824 Cb 0.20 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 1u89 h ARG 824 CO -0.02 -0.32 0.24 1.96 -1.51 0.00 0.00 179.97 180.32 1u89 h GLN 825 N -0.50 1.12 -0.93 0.20 1.08 -0.76 -2.21 115.11 113.10 1u89 h GLN 825 Ca 0.02 -0.23 0.02 0.00 -1.45 0.00 0.00 58.65 57.01 1u89 h GLN 825 Cb 0.52 -0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 27.73 1u89 h GLN 825 CO -0.14 0.95 0.61 0.00 -0.95 0.00 0.00 178.83 179.30 1u89 h ALA 826 N 1.12 1.20 -0.76 3.87 0.00 -0.46 0.35 119.26 124.57 1u89 h ALA 826 Ca 0.24 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1u89 h ALA 826 Cb 0.28 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1u89 h ALA 826 CO -0.01 0.54 0.32 0.00 0.00 0.00 0.00 179.25 180.11 1u89 h ARG 827 N 1.23 1.12 -0.37 0.00 3.08 -0.31 -0.91 114.38 118.21 1u89 h ARG 827 Ca 0.35 -0.19 -0.09 0.00 0.07 0.00 0.00 59.98 60.13 1u89 h ARG 827 Cb -0.09 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.75 1u89 h ARG 827 CO -0.09 0.90 -0.10 0.82 -1.07 0.00 0.00 179.97 180.43 1u89 h ILE 828 N 1.10 1.28 -0.35 2.04 2.04 -0.71 -3.11 117.51 119.80 1u89 h ILE 828 Ca 0.26 -1.18 0.06 0.00 1.00 0.00 0.00 64.86 65.00 1u89 h ILE 828 Cb 0.18 1.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 1u89 h ILE 828 CO -0.03 0.39 0.02 0.25 0.00 0.00 0.00 178.15 178.78 1u89 h LEU 829 N 0.53 -0.10 -0.52 1.44 5.85 0.19 0.16 115.31 122.85 1u89 h LEU 829 Ca 0.09 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.97 1u89 h LEU 829 Cb 0.62 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.71 1u89 h LEU 829 CO 0.04 -0.02 0.15 0.00 -0.34 0.00 0.00 178.44 178.27 1u89 h ALA 830 N 1.29 0.62 -0.32 1.25 0.00 -1.18 0.56 119.26 121.49 1u89 h ALA 830 Ca 0.17 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 1u89 h ALA 830 Cb 0.22 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1u89 h ALA 830 CO -0.27 -0.26 -0.11 0.37 0.00 0.00 0.00 179.25 178.98 1u89 h GLN 831 N 0.30 0.64 -0.33 0.00 5.75 -1.34 -2.31 115.11 117.83 1u89 h GLN 831 Ca 0.26 -0.26 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1u89 h GLN 831 Cb 0.33 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.83 1u89 h GLN 831 CO -0.30 0.84 0.19 0.00 -2.65 0.00 0.00 178.83 176.90 1u89 h ALA 832 N 0.78 0.42 -0.37 3.38 0.00 -0.01 -1.58 119.26 121.88 1u89 h ALA 832 Ca 0.08 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1u89 h ALA 832 Cb 0.62 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1u89 h ALA 832 CO 0.04 -0.07 -0.14 1.15 0.00 0.00 0.00 179.25 180.22 1u89 h THR 833 N 0.41 1.25 -0.84 0.00 2.02 -0.94 -1.23 112.91 113.59 1u89 h THR 833 Ca 0.12 -1.17 0.02 0.00 0.77 0.00 0.00 66.41 66.14 1u89 h THR 833 Cb 0.04 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 1u89 h THR 833 CO -0.02 0.39 0.55 0.28 0.37 0.00 0.00 175.52 177.09 1u89 h SER 834 N 0.61 0.94 -0.35 4.18 0.02 -0.97 0.19 113.55 118.17 1u89 h SER 834 Ca 0.10 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.93 1u89 h SER 834 Cb 0.60 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1u89 h SER 834 CO 0.04 0.67 -0.17 0.44 -1.14 0.00 0.00 176.83 176.67 1u89 h ASP 835 N 1.10 0.75 0.21 3.07 3.32 -0.80 -1.31 116.42 122.76 1u89 h ASP 835 Ca 0.31 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1u89 h ASP 835 Cb -0.08 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.27 1u89 h ASP 835 CO -0.08 0.99 -0.10 0.25 -1.72 0.00 0.00 179.24 178.58 1u89 h LEU 836 N 0.50 -0.24 -0.49 1.55 5.85 -0.48 -0.29 115.31 121.71 1u89 h LEU 836 Ca 0.08 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1u89 h LEU 836 Cb 0.71 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 1u89 h LEU 836 CO 0.05 -0.12 0.18 0.58 -0.34 0.00 0.00 178.44 178.79 1u89 h VAL 837 N -0.34 1.22 -0.60 1.05 2.07 -0.68 -1.51 116.25 117.47 1u89 h VAL 837 Ca -0.03 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1u89 h VAL 837 Cb 0.26 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1u89 h VAL 837 CO 0.05 0.26 0.33 -1.13 0.02 0.00 0.00 177.57 177.10 1u89 h ASN 838 N 0.66 0.75 0.03 0.57 -1.24 -1.18 0.88 115.58 116.06 1u89 h ASN 838 Ca 0.16 -0.09 0.01 0.00 0.71 0.00 0.00 56.30 57.09 1u89 h ASN 838 Cb 0.23 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.07 1u89 h ASN 838 CO -0.01 0.63 -0.10 0.00 -1.29 0.00 0.00 177.43 176.66 1u89 h ALA 839 N 1.15 -0.14 -0.39 1.57 0.00 -0.75 -1.69 119.26 119.02 1u89 h ALA 839 Ca 0.21 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1u89 h ALA 839 Cb 0.04 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1u89 h ALA 839 CO -0.03 -0.60 0.21 0.82 0.00 0.00 0.00 179.25 179.64 1u89 h ILE 840 N -0.19 1.15 -0.26 0.00 2.04 -1.05 0.07 117.51 119.28 1u89 h ILE 840 Ca 0.03 -0.40 0.05 0.00 1.00 0.00 0.00 64.86 65.54 1u89 h ILE 840 Cb 0.22 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 1u89 h ILE 840 CO -0.08 0.16 -0.06 0.50 0.00 0.00 0.00 178.15 178.67 1u89 h LYS 841 N 0.50 0.01 -0.24 2.37 3.64 -0.59 0.42 116.57 122.67 1u89 h LYS 841 Ca 0.14 -0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.32 1u89 h LYS 841 Cb 0.06 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1u89 h LYS 841 CO -0.02 0.00 -0.62 0.00 -2.27 0.00 0.00 179.45 176.55 1u89 h ALA 842 N 1.26 0.39 -0.08 5.00 0.00 -1.17 -3.05 119.26 121.61 1u89 h ALA 842 Ca 0.12 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 1u89 h ALA 842 Cb 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1u89 h ALA 842 CO -0.26 0.66 -0.32 0.22 0.00 0.00 0.00 179.25 179.55 1u89 h ASP 843 N 0.60 0.42 0.28 0.00 3.58 -0.68 -3.23 116.42 117.38 1u89 h ASP 843 Ca -0.01 -0.63 -0.04 0.00 0.42 0.00 0.00 57.03 56.77 1u89 h ASP 843 Cb 1.23 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.16 1u89 h ASP 843 CO 0.13 0.98 -0.20 0.00 -2.88 0.00 0.00 179.24 177.27 1u89 h ALA 844 N 0.45 1.51 0.00 -0.78 0.00 -0.26 -0.50 119.26 119.68 1u89 h ALA 844 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1u89 h ALA 844 Cb 0.96 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1u89 h ALA 844 CO 0.07 0.25 0.00 0.93 0.00 0.00 0.00 179.25 180.50 1u89 h GLU 845 N 0.00 0.00 -0.02 0.00 5.08 -1.55 -1.68 114.58 116.42 1u89 h GLU 845 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1u89 h GLU 845 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1u89 h GLU 845 CO 0.03 0.00 -0.05 0.41 -1.00 0.00 0.00 179.01 178.40 1u89 n GLY 846 N -0.34 0.04 3.73 -3.84 0.00 -0.25 -5.00 105.19 99.54 1u89 n GLY 846 Ca 0.00 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 1u89 n GLY 846 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u89 s GLU 847 N -1.33 4.37 0.19 1.61 2.56 -0.63 -4.92 118.70 120.54 1u89 s GLU 847 Ca 0.17 2.08 -0.12 0.00 0.00 0.00 0.00 54.97 57.10 1u89 s GLU 847 Cb 0.12 -3.20 0.15 0.00 2.00 0.00 0.00 34.13 33.21 1u89 s GLU 847 CO 0.22 -0.30 1.83 0.66 -0.56 0.00 0.00 175.26 177.11 1u89 h SER 848 N 5.57 0.61 -2.63 -1.70 4.64 -1.88 -3.38 113.55 114.79 1u89 h SER 848 Ca -0.44 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.27 1u89 h SER 848 Cb 1.21 -0.13 -0.13 0.00 -0.31 0.00 0.00 62.40 63.05 1u89 h SER 848 CO 0.79 0.43 0.65 -0.62 -0.87 0.00 0.00 176.83 177.21 1u89 s ASP 849 N -5.67 6.18 0.44 4.97 -1.08 -1.26 -4.88 116.67 115.37 1u89 s ASP 849 Ca -0.13 -0.84 0.22 0.00 -0.52 0.00 0.00 52.55 51.28 1u89 s ASP 849 Cb 0.14 -2.45 1.01 0.00 -1.46 0.00 0.00 42.92 40.16 1u89 s ASP 849 CO 0.75 -1.51 1.89 -0.07 0.52 0.00 0.00 175.17 176.75 1u89 h LEU 850 N 11.69 0.00 -0.69 -1.34 -0.00 -1.94 -1.80 115.31 121.23 1u89 h LEU 850 Ca -0.28 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.53 1u89 h LEU 850 Cb 1.07 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.70 1u89 h LEU 850 CO 1.20 0.25 0.20 -0.33 -0.00 0.00 0.00 178.44 179.76 1u89 h GLU 851 N 0.00 1.09 0.50 1.13 4.39 -1.95 -0.73 114.58 119.01 1u89 h GLU 851 Ca -0.00 -0.25 -0.02 0.00 0.34 0.00 0.00 59.36 59.43 1u89 h GLU 851 Cb 0.62 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1u89 h GLU 851 CO 0.03 0.95 -0.30 -0.91 -1.16 0.00 0.00 179.01 177.62 1u89 h ASN 852 N 1.02 -0.75 -0.52 1.42 2.35 -1.70 -3.03 115.58 114.38 1u89 h ASN 852 Ca 0.22 0.04 0.04 0.00 -0.55 0.00 0.00 56.30 56.05 1u89 h ASN 852 Cb 0.33 0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.88 1u89 h ASN 852 CO -0.00 -0.48 0.27 0.28 -1.65 0.00 0.00 177.43 175.85 1u89 h SER 853 N -0.76 0.41 -0.95 5.81 0.02 -1.30 0.43 113.55 117.21 1u89 h SER 853 Ca -0.06 0.02 0.11 0.00 -0.84 0.00 0.00 61.79 61.02 1u89 h SER 853 Cb 0.62 -0.06 -0.07 0.00 0.14 0.00 0.00 62.40 63.03 1u89 h SER 853 CO 0.06 0.28 0.61 0.03 -1.14 0.00 0.00 176.83 176.67 1u89 h ARG 854 N 0.53 0.92 0.07 3.45 3.08 -1.11 0.19 114.38 121.51 1u89 h ARG 854 Ca 0.22 -0.06 -0.27 0.00 0.07 0.00 0.00 59.98 59.95 1u89 h ARG 854 Cb 0.11 -0.21 0.02 0.00 0.08 0.00 0.00 29.97 29.97 1u89 h ARG 854 CO -0.14 0.61 -1.12 0.87 -1.07 0.00 0.00 179.97 179.12 1u89 h LYS 855 N 0.94 0.51 -0.10 0.04 1.57 -1.27 -3.09 116.57 115.18 1u89 h LYS 855 Ca 0.46 -0.63 0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1u89 h LYS 855 Cb 0.45 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1u89 h LYS 855 CO -0.22 1.25 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.85 1u89 h LEU 856 N 0.24 -0.04 -1.02 2.94 3.38 0.82 0.21 115.31 121.85 1u89 h LEU 856 Ca -0.14 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 1u89 h LEU 856 Cb 1.78 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.56 1u89 h LEU 856 CO 0.20 -0.00 -0.48 -0.07 0.09 0.00 0.00 178.44 178.18 1u89 h LEU 857 N 0.03 0.03 -0.18 1.67 3.38 -1.16 0.55 115.31 119.63 1u89 h LEU 857 Ca 0.05 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 1u89 h LEU 857 Cb 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1u89 h LEU 857 CO -0.08 0.50 -0.47 0.28 0.09 0.00 0.00 178.44 178.76 1u89 h SER 858 N 0.02 0.73 -0.71 -0.43 0.02 -1.36 -1.77 113.55 110.06 1u89 h SER 858 Ca -0.00 -0.57 -0.05 0.00 -0.84 0.00 0.00 61.79 60.32 1u89 h SER 858 Cb 0.85 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.15 1u89 h SER 858 CO 0.06 1.18 0.24 0.00 -1.14 0.00 0.00 176.83 177.17 1u89 h ALA 859 N 0.58 1.06 -0.07 3.77 0.00 -0.30 -2.00 119.26 122.30 1u89 h ALA 859 Ca -0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1u89 h ALA 859 Cb 1.09 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1u89 h ALA 859 CO 0.10 0.64 -0.15 0.00 0.00 0.00 0.00 179.25 179.85 1u89 h ALA 860 N 1.19 1.62 -0.55 0.00 0.00 -0.84 -0.92 119.26 119.76 1u89 h ALA 860 Ca 0.24 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1u89 h ALA 860 Cb 0.28 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1u89 h ALA 860 CO -0.01 0.28 0.11 0.87 0.00 0.00 0.00 179.25 180.49 1u89 h LYS 861 N 0.11 0.87 -0.39 0.00 6.56 -0.57 -1.00 116.57 122.15 1u89 h LYS 861 Ca 0.02 -0.19 -0.10 0.00 -1.06 0.00 0.00 60.65 59.31 1u89 h LYS 861 Cb 0.33 -0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 31.86 1u89 h LYS 861 CO 0.02 0.80 -0.16 0.82 -2.06 0.00 0.00 179.45 178.86 1u89 h ILE 862 N 0.83 1.28 -0.08 1.86 2.04 -0.99 -1.66 117.51 120.79 1u89 h ILE 862 Ca 0.18 -1.29 0.04 0.00 1.00 0.00 0.00 64.86 64.79 1u89 h ILE 862 Cb 0.34 1.30 -0.06 0.00 -0.74 0.00 0.00 36.82 37.66 1u89 h ILE 862 CO 0.00 0.43 -0.29 -0.07 0.00 0.00 0.00 178.15 178.22 1u89 h LEU 863 N 0.60 -0.90 -0.41 1.44 -0.00 -0.70 0.82 115.31 116.16 1u89 h LEU 863 Ca 0.09 0.13 -0.04 0.00 -0.00 0.00 0.00 57.88 58.06 1u89 h LEU 863 Cb 0.71 0.38 -0.02 0.00 -0.00 0.00 0.00 40.66 41.73 1u89 h LEU 863 CO 0.05 -0.35 0.12 0.00 -0.00 0.00 0.00 178.44 178.26 1u89 h ALA 864 N 0.43 0.54 -0.54 1.53 0.00 -1.20 -1.22 119.26 118.81 1u89 h ALA 864 Ca 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1u89 h ALA 864 Cb 0.52 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1u89 h ALA 864 CO -0.31 0.19 0.27 0.22 0.00 0.00 0.00 179.25 179.63 1u89 h ASP 865 N 0.52 0.69 -0.19 0.00 3.58 -0.99 -1.62 116.42 118.42 1u89 h ASP 865 Ca 0.13 -0.12 -0.15 0.00 0.42 0.00 0.00 57.03 57.31 1u89 h ASP 865 Cb 0.28 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 1u89 h ASP 865 CO -0.00 0.62 -0.42 0.00 -2.88 0.00 0.00 179.24 176.55 1u89 h ALA 866 N 1.11 0.70 -0.43 -0.78 0.00 -0.78 -2.80 119.26 116.27 1u89 h ALA 866 Ca 0.19 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1u89 h ALA 866 Cb 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1u89 h ALA 866 CO -0.03 0.67 -0.07 1.15 0.00 0.00 0.00 179.25 180.97 1u89 h THR 867 N 0.60 1.25 -0.46 0.00 2.02 -0.90 0.15 112.91 115.57 1u89 h THR 867 Ca 0.04 -1.08 -0.03 0.00 0.77 0.00 0.00 66.41 66.11 1u89 h THR 867 Cb 0.98 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 1u89 h THR 867 CO 0.09 0.37 0.16 0.00 0.37 0.00 0.00 175.52 176.51 1u89 h ALA 868 N 1.24 0.59 -0.83 6.16 0.00 -1.25 0.11 119.26 125.29 1u89 h ALA 868 Ca 0.12 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1u89 h ALA 868 Cb 0.52 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1u89 h ALA 868 CO 0.03 0.23 0.54 -0.22 0.00 0.00 0.00 179.25 179.83 1u89 h LYS 869 N 0.60 1.04 0.08 0.00 3.64 -1.16 0.13 116.57 120.90 1u89 h LYS 869 Ca 0.15 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1u89 h LYS 869 Cb 0.24 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1u89 h LYS 869 CO -0.01 0.69 -0.04 1.98 -2.27 0.00 0.00 179.45 179.80 1u89 h MET 870 N 1.07 -0.11 -0.50 1.90 4.05 -0.25 0.23 114.93 121.32 1u89 h MET 870 Ca 0.32 0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.69 1u89 h MET 870 Cb -0.05 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.75 1u89 h MET 870 CO -0.09 0.00 0.06 -0.24 0.23 0.00 0.00 176.91 176.87 1u89 h VAL 871 N -0.20 1.23 -0.26 -5.77 3.04 -0.49 0.56 116.25 114.36 1u89 h VAL 871 Ca -0.01 -0.90 -0.19 0.00 -1.01 0.00 0.00 66.70 64.59 1u89 h VAL 871 Cb 0.17 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 30.23 1u89 h VAL 871 CO 0.02 0.32 -0.60 -0.08 -1.01 0.00 0.00 177.57 176.23 1u89 h GLU 872 N 0.75 0.85 -0.08 4.17 4.57 -0.57 -1.99 114.58 122.27 1u89 h GLU 872 Ca 0.16 -0.57 -0.02 0.00 -1.18 0.00 0.00 59.36 57.75 1u89 h GLU 872 Cb 0.37 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1u89 h GLU 872 CO 0.01 1.20 -0.02 0.00 -1.18 0.00 0.00 179.01 179.02 1u89 h ALA 873 N 0.68 0.11 -0.41 2.92 0.00 -0.22 0.09 119.26 122.42 1u89 h ALA 873 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1u89 h ALA 873 Cb 1.21 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1u89 h ALA 873 CO 0.13 -0.17 0.24 0.00 0.00 0.00 0.00 179.25 179.44 1u89 h ALA 874 N 0.68 0.53 -0.32 0.00 0.00 -0.93 -0.32 119.26 118.90 1u89 h ALA 874 Ca 0.02 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1u89 h ALA 874 Cb 0.41 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1u89 h ALA 874 CO 0.01 0.04 -0.39 0.87 0.00 0.00 0.00 179.25 179.78 1u89 h LYS 875 N 0.54 0.76 -0.28 0.00 1.57 -1.38 -2.42 116.57 115.36 1u89 h LYS 875 Ca 0.15 -0.39 -0.08 0.00 -1.87 0.00 0.00 60.65 58.45 1u89 h LYS 875 Cb 0.03 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1u89 h LYS 875 CO -0.03 1.02 -0.17 0.78 -0.57 0.00 0.00 179.45 180.48 1u89 h GLY 876 N 0.92 0.55 1.27 3.86 0.00 -0.66 -1.98 103.07 107.02 1u89 h GLY 876 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1u89 h GLY 876 CO 0.09 0.37 -0.09 0.00 0.00 0.00 0.00 176.54 176.91 1u89 n ALA 877 N -2.48 2.68 -2.11 3.60 0.00 -0.16 -4.02 120.51 118.02 1u89 n ALA 877 Ca 0.00 -0.21 -0.40 0.00 0.00 0.00 0.00 53.44 52.83 1u89 n ALA 877 Cb 0.36 -1.39 0.03 0.00 0.00 0.00 0.00 19.45 18.46 1u89 n ALA 877 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u89 n ALA 878 N -1.17 6.40 0.00 0.00 0.00 -0.74 -4.47 120.51 120.52 1u89 n ALA 878 Ca 0.13 -4.25 -0.22 0.00 0.00 0.00 0.00 53.44 49.10 1u89 n ALA 878 Cb 0.28 -2.03 -0.14 0.00 0.00 0.00 0.00 19.45 17.56 1u89 n ALA 878 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u89 h ALA 879 N 3.31 0.29 -2.18 0.00 0.00 -1.73 -3.49 119.26 115.46 1u89 h ALA 879 Ca 0.56 -1.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.17 1u89 h ALA 879 Cb 0.10 0.61 -0.21 0.00 0.00 0.00 0.00 17.79 18.29 1u89 h ALA 879 CO 1.37 1.04 0.05 -3.38 0.00 0.00 0.00 179.25 178.32 1u89 s HIS 880 N -2.51 -0.66 -0.98 0.00 -3.43 -1.26 -5.07 115.29 101.38 1u89 s HIS 880 Ca -0.22 1.51 -0.17 0.00 -0.80 0.00 0.00 55.06 55.39 1u89 s HIS 880 Cb 0.06 0.27 -0.09 0.00 -1.43 0.00 0.00 32.58 31.38 1u89 s HIS 880 CO 0.76 -0.39 2.08 -2.30 -2.00 0.00 0.00 174.74 172.88 1u89 n PRO 881 N 2.28 1.99 -1.50 -0.38 -0.02 -1.26 -4.73 135.00 131.38 1u89 n PRO 881 Ca -0.15 -1.93 -0.27 0.00 -2.02 0.00 0.00 63.50 59.12 1u89 n PRO 881 Cb 0.56 -2.89 -0.06 0.00 -0.02 0.00 0.00 33.50 31.09 1u89 n PRO 881 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1u89 n ASP 882 N 6.36 6.49 -1.52 2.55 -0.08 -1.26 -4.90 116.55 124.19 1u89 n ASP 882 Ca 0.51 -3.20 0.00 0.00 -1.51 0.00 0.00 54.79 50.59 1u89 n ASP 882 Cb 0.34 -1.24 0.00 0.00 2.34 0.00 0.00 41.12 42.56 1u89 n ASP 882 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1u89 n SER 883 N 0.92 0.00 0.00 1.67 7.64 -1.26 -4.74 113.62 117.85 1u89 n SER 883 Ca 0.49 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.37 1u89 n SER 883 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1u89 n SER 883 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1u89 n GLU 884 N 0.00 0.00 0.00 1.43 4.71 -1.26 -4.92 120.64 120.60 1u89 n GLU 884 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1u89 n GLU 884 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1u89 n GLU 884 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1u89 n GLU 885 N 0.00 0.00 0.10 3.49 0.00 -1.26 -4.40 120.64 118.57 1u89 n GLU 885 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1u89 n GLU 885 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1u89 n GLU 885 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 1u89 n GLN 886 N 0.00 0.00 -3.15 5.31 7.27 -1.26 -5.12 117.38 120.43 1u89 n GLN 886 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.13 1u89 n GLN 886 Cb 0.00 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 32.64 1u89 n GLN 886 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1u89 s GLN 887 N -1.43 0.00 0.20 3.69 2.00 -1.26 -5.03 119.66 117.83 1u89 s GLN 887 Ca 0.00 0.01 0.01 0.00 -2.00 0.00 0.00 55.36 53.38 1u89 s GLN 887 Cb 0.00 0.00 0.14 0.00 0.80 0.00 0.00 33.01 33.96 1u89 s GLN 887 CO 0.00 -0.01 1.50 1.96 -0.50 0.00 0.00 175.29 178.24 1u89 h GLN 888 N 7.49 0.35 0.00 1.67 1.08 -2.00 -3.56 115.11 120.14 1u89 h GLN 888 Ca -0.11 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 56.84 1u89 h GLN 888 Cb 1.17 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.65 1u89 h GLN 888 CO -0.22 0.88 0.00 -2.13 -0.95 0.00 0.00 178.83 176.41