#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u89 s SER 752 N 0.00 6.28 0.00 1.61 0.01 -1.26 -4.52 113.70 115.82 1u89 s SER 752 Ca 0.00 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.02 1u89 s SER 752 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1u89 s SER 752 CO 0.00 -1.66 0.00 1.57 0.41 0.00 0.00 173.24 173.56 1u89 n HIS 753 N 8.86 0.00 -2.21 2.43 -0.00 -1.26 -4.95 115.22 118.08 1u89 n HIS 753 Ca 0.05 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.35 1u89 n HIS 753 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.48 1u89 n HIS 753 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1u89 n MET 754 N -1.40 3.84 -4.59 1.57 0.00 -1.26 -4.92 117.12 110.35 1u89 n MET 754 Ca 0.00 -3.46 -0.24 0.00 -0.00 0.00 0.00 57.70 54.01 1u89 n MET 754 Cb 0.00 -2.86 -0.16 0.00 0.00 0.00 0.00 33.22 30.20 1u89 n MET 754 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1u89 s GLN 755 N 0.12 1.45 -0.16 2.12 -1.52 -1.26 -4.99 119.66 115.41 1u89 s GLN 755 Ca 0.44 -0.43 0.17 0.00 -1.95 0.00 0.00 55.36 53.59 1u89 s GLN 755 Cb 0.12 -1.27 0.43 0.00 -0.22 0.00 0.00 33.01 32.07 1u89 s GLN 755 CO -0.02 0.13 1.31 0.00 -0.25 0.00 0.00 175.29 176.45 1u89 n ALA 756 N 3.42 2.74 0.16 6.09 0.00 -1.26 -4.75 120.51 126.91 1u89 n ALA 756 Ca -0.20 -2.48 -0.05 0.00 0.00 0.00 0.00 53.44 50.71 1u89 n ALA 756 Cb 0.53 -0.57 0.03 0.00 0.00 0.00 0.00 19.45 19.43 1u89 n ALA 756 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u89 n ALA 757 N -0.92 3.54 0.25 0.00 0.00 -1.26 -3.95 120.51 118.17 1u89 n ALA 757 Ca 0.19 -0.57 0.14 0.00 0.00 0.00 0.00 53.44 53.21 1u89 n ALA 757 Cb 0.79 -1.10 0.42 0.00 0.00 0.00 0.00 19.45 19.55 1u89 n ALA 757 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1u89 h THR 758 N 0.46 0.01 -3.07 0.00 2.02 -2.04 -3.46 112.91 106.83 1u89 h THR 758 Ca 0.12 -0.77 0.05 0.00 0.77 0.00 0.00 66.41 66.58 1u89 h THR 758 Cb 1.22 1.77 -0.06 0.00 -1.74 0.00 0.00 68.15 69.34 1u89 h THR 758 CO 0.24 0.00 0.19 -0.70 0.37 0.00 0.00 175.52 175.62 1u89 s GLU 759 N -3.43 1.75 0.19 6.66 2.56 -1.25 -5.05 118.70 120.13 1u89 s GLU 759 Ca 0.04 -1.01 -0.13 0.00 0.00 0.00 0.00 54.97 53.87 1u89 s GLU 759 Cb 0.07 0.59 0.20 0.00 2.00 0.00 0.00 34.13 36.99 1u89 s GLU 759 CO 0.61 -0.79 1.69 0.22 -0.56 0.00 0.00 175.26 176.43 1u89 h ASP 760 N 2.03 -0.15 0.00 -1.70 3.58 -1.90 -3.46 116.42 114.82 1u89 h ASP 760 Ca -0.20 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1u89 h ASP 760 Cb 1.25 0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.49 1u89 h ASP 760 CO 0.25 -0.04 0.00 0.61 -2.88 0.00 0.00 179.24 177.17 1u89 n GLY 761 N -1.31 1.59 0.00 -0.78 0.00 -1.26 -5.04 105.19 98.40 1u89 n GLY 761 Ca 0.06 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1u89 n GLY 761 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1u89 n GLN 762 N -0.31 2.04 0.22 1.61 7.27 -1.26 -4.71 117.38 122.24 1u89 n GLN 762 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 56.95 1u89 n GLN 762 Cb 0.00 -0.17 -0.06 0.00 2.41 0.00 0.00 30.24 32.42 1u89 n GLN 762 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1u89 h LEU 763 N 0.00 -0.52 0.00 1.69 -0.00 -1.96 -2.01 115.31 112.51 1u89 h LEU 763 Ca 0.00 -0.06 -0.11 0.00 -0.00 0.00 0.00 57.88 57.71 1u89 h LEU 763 Cb 0.00 0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.78 1u89 h LEU 763 CO 0.00 -0.10 -0.79 0.25 -0.00 0.00 0.00 178.44 177.80 1u89 h LEU 764 N -1.08 0.00 0.37 1.67 6.46 -1.93 -1.40 115.31 119.40 1u89 h LEU 764 Ca -0.06 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.68 1u89 h LEU 764 Cb 0.55 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.48 1u89 h LEU 764 CO 0.10 0.47 -0.18 0.03 -0.62 0.00 0.00 178.44 178.24 1u89 h ARG 765 N 0.00 -0.48 0.00 1.25 3.08 -1.84 -2.78 114.38 113.61 1u89 h ARG 765 Ca -0.05 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1u89 h ARG 765 Cb 1.40 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.56 1u89 h ARG 765 CO 0.05 -0.20 -0.44 0.41 -1.07 0.00 0.00 179.97 178.72 1u89 n GLY 766 N -0.66 -0.84 0.32 0.04 0.00 -0.76 -3.81 105.19 99.49 1u89 n GLY 766 Ca -0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 46.02 45.73 1u89 n GLY 766 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1u89 h VAL 767 N -0.80 1.23 -0.01 1.61 2.07 -1.44 -0.65 116.25 118.27 1u89 h VAL 767 Ca 0.00 -0.52 0.03 0.00 0.82 0.00 0.00 66.70 67.03 1u89 h VAL 767 Cb 0.44 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 1u89 h VAL 767 CO 0.00 0.24 -0.18 1.23 0.02 0.00 0.00 177.57 178.89 1u89 h GLY 768 N 1.12 -0.23 1.00 2.17 0.00 -1.00 0.34 103.07 106.47 1u89 h GLY 768 Ca 0.29 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1u89 h GLY 768 CO -0.05 -0.17 0.33 0.00 0.00 0.00 0.00 176.54 176.65 1u89 h ALA 769 N 0.64 0.66 -0.53 3.60 0.00 -1.38 0.41 119.26 122.66 1u89 h ALA 769 Ca 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1u89 h ALA 769 Cb 0.36 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1u89 h ALA 769 CO -0.17 0.11 0.27 0.00 0.00 0.00 0.00 179.25 179.46 1u89 h ALA 770 N 1.18 0.68 -0.42 0.00 0.00 -0.76 -1.25 119.26 118.68 1u89 h ALA 770 Ca 0.19 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1u89 h ALA 770 Cb -0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1u89 h ALA 770 CO -0.04 0.23 -0.21 0.00 0.00 0.00 0.00 179.25 179.23 1u89 h ALA 771 N 1.10 0.84 -0.64 0.00 0.00 -0.05 -2.67 119.26 117.84 1u89 h ALA 771 Ca 0.18 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1u89 h ALA 771 Cb 0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1u89 h ALA 771 CO -0.03 0.64 0.21 1.15 0.00 0.00 0.00 179.25 181.23 1u89 h THR 772 N 0.73 1.24 -0.48 0.00 2.02 -0.65 -0.98 112.91 114.79 1u89 h THR 772 Ca 0.10 -0.80 0.01 0.00 0.77 0.00 0.00 66.41 66.49 1u89 h THR 772 Cb 0.74 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1u89 h THR 772 CO 0.06 0.31 0.32 0.00 0.37 0.00 0.00 175.52 176.58 1u89 h ALA 773 N 1.29 0.61 -0.20 6.16 0.00 -0.95 -0.19 119.26 125.98 1u89 h ALA 773 Ca 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1u89 h ALA 773 Cb 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1u89 h ALA 773 CO -0.01 0.05 0.07 0.28 0.00 0.00 0.00 179.25 179.64 1u89 h VAL 774 N 0.64 1.17 -0.87 0.00 2.07 -1.15 0.14 116.25 118.25 1u89 h VAL 774 Ca 0.18 -0.52 0.07 0.00 0.82 0.00 0.00 66.70 67.25 1u89 h VAL 774 Cb -0.06 1.15 -0.07 0.00 -1.52 0.00 0.00 31.29 30.79 1u89 h VAL 774 CO -0.05 0.17 0.54 0.74 0.02 0.00 0.00 177.57 178.99 1u89 h THR 775 N 0.16 1.00 -0.01 2.57 2.02 -0.86 0.23 112.91 118.02 1u89 h THR 775 Ca 0.06 -0.32 -0.21 0.00 0.77 0.00 0.00 66.41 66.71 1u89 h THR 775 Cb 0.19 -0.03 0.02 0.00 -1.74 0.00 0.00 68.15 66.59 1u89 h THR 775 CO -0.00 0.17 -0.82 1.56 0.37 0.00 0.00 175.52 176.80 1u89 h GLN 776 N 0.95 0.57 -0.52 6.66 7.50 -0.88 -2.44 115.11 126.95 1u89 h GLN 776 Ca 0.40 -0.60 -0.02 0.00 0.50 0.00 0.00 58.65 58.92 1u89 h GLN 776 Cb 0.24 0.17 -0.02 0.00 0.05 0.00 0.00 27.48 27.92 1u89 h GLN 776 CO -0.20 1.22 0.24 0.00 -1.50 0.00 0.00 178.83 178.59 1u89 h ALA 777 N 0.37 0.67 -0.61 3.87 0.00 -0.30 0.29 119.26 123.56 1u89 h ALA 777 Ca -0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1u89 h ALA 777 Cb 1.49 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1u89 h ALA 777 CO 0.16 0.25 0.30 1.25 0.00 0.00 0.00 179.25 181.21 1u89 h LEU 778 N 0.70 0.79 -1.00 0.00 5.85 -0.62 0.05 115.31 121.09 1u89 h LEU 778 Ca 0.18 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 1u89 h LEU 778 Cb 0.14 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1u89 h LEU 778 CO -0.02 0.70 -0.07 0.78 -0.34 0.00 0.00 178.44 179.49 1u89 h ASN 779 N 0.84 0.62 -0.40 1.25 2.35 -1.06 0.25 115.58 119.43 1u89 h ASN 779 Ca 0.21 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1u89 h ASN 779 Cb 0.11 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1u89 h ASN 779 CO -0.03 0.74 0.21 -0.33 -1.65 0.00 0.00 177.43 176.38 1u89 h GLU 780 N 0.60 0.56 -0.18 0.81 4.39 0.22 -1.66 114.58 119.33 1u89 h GLU 780 Ca 0.11 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.64 1u89 h GLU 780 Cb 0.48 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1u89 h GLU 780 CO 0.03 0.46 -0.29 1.25 -1.16 0.00 0.00 179.01 179.30 1u89 h LEU 781 N 0.51 0.57 -0.27 1.33 5.85 -0.65 -2.09 115.31 120.57 1u89 h LEU 781 Ca 0.14 -0.53 0.03 0.00 0.84 0.00 0.00 57.88 58.36 1u89 h LEU 781 Cb 0.07 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 1u89 h LEU 781 CO -0.02 0.99 0.08 -0.07 -0.34 0.00 0.00 178.44 179.07 1u89 h LEU 782 N 0.17 0.06 -1.23 2.25 3.38 -0.44 0.61 115.31 120.10 1u89 h LEU 782 Ca 0.01 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1u89 h LEU 782 Cb 0.87 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1u89 h LEU 782 CO 0.07 0.07 -0.37 0.06 0.09 0.00 0.00 178.44 178.35 1u89 h GLN 783 N 0.19 0.00 0.04 1.13 3.07 -1.36 -1.93 115.11 116.25 1u89 h GLN 783 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.86 1u89 h GLN 783 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.67 1u89 h GLN 783 CO -0.14 0.37 -0.02 1.25 0.09 0.00 0.00 178.83 180.38 1u89 h HIS 784 N 0.00 -0.05 -0.08 0.06 2.76 -0.50 -3.30 115.15 114.02 1u89 h HIS 784 Ca -0.00 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.12 1u89 h HIS 784 Cb 0.70 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 1u89 h HIS 784 CO 0.00 0.59 -0.17 0.28 -1.30 0.00 0.00 177.93 177.34 1u89 h VAL 785 N -0.88 1.17 -0.24 5.26 2.07 0.15 0.34 116.25 124.11 1u89 h VAL 785 Ca -0.01 -0.77 0.07 0.00 0.82 0.00 0.00 66.70 66.82 1u89 h VAL 785 Cb 0.67 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1u89 h VAL 785 CO 0.01 0.23 0.20 0.50 0.02 0.00 0.00 177.57 178.53 1u89 h LYS 786 N 0.13 0.00 0.00 1.57 3.64 -1.43 -3.05 116.57 117.43 1u89 h LYS 786 Ca 0.03 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1u89 h LYS 786 Cb 0.38 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1u89 h LYS 786 CO 0.02 0.00 -1.08 0.00 -2.27 0.00 0.00 179.45 176.12 1u89 n ALA 787 N -2.50 2.01 -3.73 5.00 0.00 -0.93 -4.88 120.51 115.48 1u89 n ALA 787 Ca 0.03 -0.06 -0.29 0.00 0.00 0.00 0.00 53.44 53.12 1u89 n ALA 787 Cb 0.35 0.07 -0.10 0.00 0.00 0.00 0.00 19.45 19.77 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 -1.78 3.45 -3.15 0.00 8.25 0.12 -4.92 115.22 117.18 1u89 n HIS 788 Ca -0.01 -4.23 0.05 0.00 -0.26 0.00 0.00 57.72 53.26 1u89 n HIS 788 Cb 0.27 -0.67 -0.01 0.00 1.12 0.00 0.00 29.99 30.71 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 -1.77 -3.14 -0.07 -1.41 0.00 -1.24 -4.45 121.76 109.68 1u89 s ALA 789 Ca 0.29 1.37 -0.04 0.00 0.00 0.00 0.00 51.96 53.58 1u89 s ALA 789 Cb 0.01 -2.56 -0.27 0.00 0.00 0.00 0.00 23.12 20.29 1u89 s ALA 789 CO -0.12 -1.75 0.58 1.15 0.00 0.00 0.00 175.76 175.63 1u89 h THR 790 N 5.37 0.84 0.00 0.00 2.02 -1.92 -3.38 112.91 115.84 1u89 h THR 790 Ca -0.10 -2.53 0.00 0.00 0.77 0.00 0.00 66.41 64.55 1u89 h THR 790 Cb 1.18 2.61 0.00 0.00 -1.74 0.00 0.00 68.15 70.20 1u89 h THR 790 CO 0.03 0.82 0.00 0.61 0.37 0.00 0.00 175.52 177.35 1u89 n GLY 791 N 1.84 3.48 0.00 2.16 0.00 -1.26 -4.81 105.19 106.60 1u89 n GLY 791 Ca -0.25 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 0.00 1.93 -2.14 4.61 0.00 -1.26 -4.82 120.51 118.82 1u89 n ALA 792 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1u89 n ALA 792 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 1.42 0.75 0.23 0.00 0.00 -1.26 -4.86 105.19 101.46 1u89 n GLY 793 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.75 -2.73 1.61 0.11 -1.95 -3.49 132.00 126.31 1u89 h PRO 794 Ca 0.00 -0.22 0.32 0.00 0.11 0.00 0.00 66.00 66.21 1u89 h PRO 794 Cb 0.00 -0.08 -0.10 0.00 0.11 0.00 0.00 31.00 30.93 1u89 h PRO 794 CO 0.00 0.80 -0.60 0.00 -0.21 0.00 0.00 178.00 177.98 1u89 n ALA 795 N -2.40 -3.10 -0.48 -0.75 0.00 -1.26 -4.80 120.51 107.72 1u89 n ALA 795 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1u89 n ALA 795 Cb 0.27 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 -3.85 1.35 3.46 0.00 0.00 -1.26 -4.66 105.19 100.23 1u89 n GLY 796 Ca -0.01 0.37 -0.14 0.00 0.00 0.00 0.00 46.02 46.23 1u89 n GLY 796 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u89 s ARG 797 N 0.00 1.18 -0.62 1.61 0.52 -1.26 -4.37 118.95 116.01 1u89 s ARG 797 Ca 0.00 -0.17 0.04 0.00 -0.52 0.00 0.00 55.73 55.09 1u89 s ARG 797 Cb 0.00 0.55 0.35 0.00 0.52 0.00 0.00 34.95 36.37 1u89 s ARG 797 CO 0.00 -0.46 1.11 0.66 0.02 0.00 0.00 175.30 176.63 1u89 n TYR 798 N 0.16 3.78 -0.35 -0.53 4.01 -1.26 -4.90 117.16 118.06 1u89 n TYR 798 Ca -0.18 -3.64 -0.00 0.00 -0.16 0.00 0.00 57.90 53.92 1u89 n TYR 798 Cb 0.62 -0.52 0.13 0.00 -0.31 0.00 0.00 39.34 39.26 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 3.05 1.03 -0.40 7.72 3.58 -1.97 -0.34 116.42 129.10 1u89 h ASP 799 Ca 0.22 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.59 1u89 h ASP 799 Cb 0.54 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 1u89 h ASP 799 CO 0.88 0.71 -0.01 1.56 -2.88 0.00 0.00 179.24 179.50 1u89 h GLN 800 N 1.20 0.79 0.02 0.28 1.08 -1.98 0.25 115.11 116.75 1u89 h GLN 800 Ca 0.38 -0.22 -0.00 0.00 -1.45 0.00 0.00 58.65 57.37 1u89 h GLN 800 Cb 0.01 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.35 1u89 h GLN 800 CO -0.13 0.80 -0.01 0.00 -0.95 0.00 0.00 178.83 178.55 1u89 h ALA 801 N 1.25 -0.03 -0.72 3.87 0.00 -1.66 -1.87 119.26 120.11 1u89 h ALA 801 Ca 0.14 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1u89 h ALA 801 Cb 0.46 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1u89 h ALA 801 CO 0.02 -0.31 0.21 1.79 0.00 0.00 0.00 179.25 180.95 1u89 h THR 802 N -0.43 1.26 -0.40 0.00 1.35 -0.94 -1.91 112.91 111.84 1u89 h THR 802 Ca -0.00 -0.92 0.01 0.00 -0.55 0.00 0.00 66.41 64.94 1u89 h THR 802 Cb 0.41 0.50 -0.02 0.00 -1.73 0.00 0.00 68.15 67.31 1u89 h THR 802 CO 0.00 0.36 0.26 -0.78 -0.25 0.00 0.00 175.52 175.11 1u89 h ASP 803 N 1.06 0.44 -0.41 5.36 3.58 -0.51 0.10 116.42 126.04 1u89 h ASP 803 Ca 0.23 -0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.68 1u89 h ASP 803 Cb 0.33 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 1u89 h ASP 803 CO -0.00 0.32 0.25 0.74 -2.88 0.00 0.00 179.24 177.66 1u89 h THR 804 N 0.53 1.06 0.60 2.25 2.02 -1.00 -1.26 112.91 117.11 1u89 h THR 804 Ca 0.15 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 1u89 h THR 804 Cb -0.04 0.51 0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1u89 h THR 804 CO -0.05 0.09 -0.29 0.40 0.37 0.00 0.00 175.52 176.05 1u89 h ILE 805 N 0.51 0.30 -0.71 3.11 2.04 -1.04 -2.66 117.51 119.06 1u89 h ILE 805 Ca 0.16 -0.29 0.09 0.00 1.00 0.00 0.00 64.86 65.82 1u89 h ILE 805 Cb -0.02 0.39 -0.07 0.00 -0.74 0.00 0.00 36.82 36.38 1u89 h ILE 805 CO -0.06 0.03 0.35 -0.07 0.00 0.00 0.00 178.15 178.41 1u89 h LEU 806 N -1.02 0.46 -1.39 1.44 3.38 -0.75 0.18 115.31 117.62 1u89 h LEU 806 Ca -0.08 0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1u89 h LEU 806 Cb 0.67 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 1u89 h LEU 806 CO 0.13 0.27 0.43 0.74 0.09 0.00 0.00 178.44 180.10 1u89 h THR 807 N 0.61 1.13 -0.04 0.22 2.02 -1.26 0.16 112.91 115.75 1u89 h THR 807 Ca 0.35 -0.28 -0.05 0.00 0.77 0.00 0.00 66.41 67.19 1u89 h THR 807 Cb 0.36 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1u89 h THR 807 CO -0.26 0.15 -0.18 0.58 0.37 0.00 0.00 175.52 176.17 1u89 h VAL 808 N 0.82 1.48 -0.58 3.16 2.07 -0.41 -0.56 116.25 122.23 1u89 h VAL 808 Ca 0.25 -1.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.07 1u89 h VAL 808 Cb -0.01 2.47 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 1u89 h VAL 808 CO -0.06 0.46 0.26 0.74 0.02 0.00 0.00 177.57 178.99 1u89 h THR 809 N -0.39 1.21 -0.86 2.57 2.02 -0.60 0.09 112.91 116.96 1u89 h THR 809 Ca -0.01 -0.63 -0.00 0.00 0.77 0.00 0.00 66.41 66.53 1u89 h THR 809 Cb 0.85 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 1u89 h THR 809 CO 0.04 0.25 0.52 -0.08 0.37 0.00 0.00 175.52 176.62 1u89 h GLU 810 N 0.79 1.16 -0.53 6.66 4.57 -0.73 -2.36 114.58 124.13 1u89 h GLU 810 Ca 0.20 -0.10 0.01 0.00 -1.18 0.00 0.00 59.36 58.29 1u89 h GLU 810 Cb 0.15 -0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 1u89 h GLU 810 CO -0.02 0.81 0.34 -0.91 -1.18 0.00 0.00 179.01 178.05 1u89 h ASN 811 N 1.18 0.58 -0.61 1.04 2.35 -0.03 -2.21 115.58 117.87 1u89 h ASN 811 Ca 0.31 -0.01 0.03 0.00 -0.55 0.00 0.00 56.30 56.08 1u89 h ASN 811 Cb -0.06 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.14 1u89 h ASN 811 CO -0.06 0.41 0.41 0.40 -1.65 0.00 0.00 177.43 176.94 1u89 h ILE 812 N 0.69 1.08 -0.33 2.81 2.04 -0.50 0.51 117.51 123.81 1u89 h ILE 812 Ca 0.20 -0.25 -0.06 0.00 1.00 0.00 0.00 64.86 65.75 1u89 h ILE 812 Cb -0.05 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 1u89 h ILE 812 CO -0.06 0.13 -0.03 -0.26 0.00 0.00 0.00 178.15 177.93 1u89 h PHE 813 N 0.73 0.67 -0.08 1.37 0.04 -1.11 -0.57 116.94 117.98 1u89 h PHE 813 Ca 0.25 -0.13 -0.13 0.00 2.80 0.00 0.00 57.97 60.75 1u89 h PHE 813 Cb 0.08 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 1u89 h PHE 813 CO -0.00 0.75 -0.54 0.77 -0.60 0.00 0.00 178.31 178.68 1u89 h SER 814 N 0.40 0.25 -0.55 2.17 0.02 -0.69 -2.93 113.55 112.23 1u89 h SER 814 Ca 0.09 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1u89 h SER 814 Cb 0.50 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1u89 h SER 814 CO 0.02 0.75 0.00 -1.20 -1.14 0.00 0.00 176.83 175.26 1u89 n SER 815 N -3.92 3.97 -4.64 3.07 7.64 0.17 -4.94 113.62 114.97 1u89 n SER 815 Ca -0.02 -2.34 -0.43 0.00 1.01 0.00 0.00 58.87 57.09 1u89 n SER 815 Cb 0.57 -0.52 -0.03 0.00 -1.01 0.00 0.00 64.21 63.22 1u89 n SER 815 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1u89 n MET 816 N 0.94 2.49 0.00 1.43 0.00 -0.23 -1.37 117.12 120.37 1u89 n MET 816 Ca 0.21 0.86 0.00 0.00 0.00 0.00 0.00 57.70 58.77 1u89 n MET 816 Cb 0.74 -3.02 0.00 0.00 0.00 0.00 0.00 33.22 30.94 1u89 n MET 816 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1u89 n GLY 817 N 4.94 3.66 3.22 -5.12 0.00 -1.26 -4.99 105.19 105.63 1u89 n GLY 817 Ca 0.24 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.84 1u89 n GLY 817 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1u89 n ASP 818 N 0.00 4.98 0.12 1.61 -0.08 -0.47 -4.50 116.55 118.21 1u89 n ASP 818 Ca 0.00 -2.99 0.15 0.00 -1.51 0.00 0.00 54.79 50.44 1u89 n ASP 818 Cb 0.00 -1.58 0.68 0.00 2.34 0.00 0.00 41.12 42.56 1u89 n ASP 818 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1u89 h ALA 819 N 6.65 2.26 -0.18 -1.67 0.00 -1.80 0.59 119.26 125.11 1u89 h ALA 819 Ca 0.39 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 1u89 h ALA 819 Cb 0.77 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1u89 h ALA 819 CO 1.47 -0.37 0.09 0.78 0.00 0.00 0.00 179.25 181.22 1u89 h GLY 820 N 0.00 0.27 1.20 0.00 0.00 -1.59 0.18 103.07 103.13 1u89 h GLY 820 Ca 0.14 -0.13 -0.15 0.00 0.00 0.00 0.00 47.33 47.19 1u89 h GLY 820 CO -0.00 0.12 -0.39 -2.09 0.00 0.00 0.00 176.54 174.18 1u89 h GLU 821 N 0.18 0.87 -0.60 4.80 4.81 -1.62 -2.92 114.58 120.10 1u89 h GLU 821 Ca 0.06 -0.45 0.07 0.00 -0.13 0.00 0.00 59.36 58.90 1u89 h GLU 821 Cb 0.08 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.42 1u89 h GLU 821 CO -0.01 1.10 0.29 0.52 -0.73 0.00 0.00 179.01 180.18 1u89 h MET 822 N 0.71 0.52 -0.77 1.92 2.86 -0.55 0.17 114.93 119.79 1u89 h MET 822 Ca 0.06 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 1u89 h MET 822 Cb 0.96 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.47 1u89 h MET 822 CO 0.09 0.35 0.28 0.28 1.06 0.00 0.00 176.91 178.96 1u89 h VAL 823 N 0.54 1.26 -0.15 -2.22 2.07 -0.64 0.23 116.25 117.35 1u89 h VAL 823 Ca 0.28 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1u89 h VAL 823 Cb 0.23 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1u89 h VAL 823 CO -0.21 0.35 0.06 -0.09 0.02 0.00 0.00 177.57 177.70 1u89 h ARG 824 N 1.14 0.22 -0.67 1.57 2.43 -1.11 -0.00 114.38 117.96 1u89 h ARG 824 Ca 0.25 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1u89 h ARG 824 Cb 0.26 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 1u89 h ARG 824 CO -0.01 0.30 0.41 1.96 -1.51 0.00 0.00 179.97 181.12 1u89 h GLN 825 N 0.09 0.91 -0.30 0.20 7.50 -0.44 -1.73 115.11 121.33 1u89 h GLN 825 Ca 0.05 -0.08 -0.02 0.00 0.50 0.00 0.00 58.65 59.10 1u89 h GLN 825 Cb 0.16 -0.19 -0.02 0.00 0.05 0.00 0.00 27.48 27.48 1u89 h GLN 825 CO -0.00 0.64 0.10 0.00 -1.50 0.00 0.00 178.83 178.07 1u89 h ALA 826 N 1.22 1.62 -0.64 3.87 0.00 -0.29 0.12 119.26 125.15 1u89 h ALA 826 Ca 0.24 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1u89 h ALA 826 Cb -0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1u89 h ALA 826 CO -0.05 0.30 0.05 0.00 0.00 0.00 0.00 179.25 179.55 1u89 h ARG 827 N 0.42 1.10 -0.60 0.00 3.08 -0.14 0.66 114.38 118.91 1u89 h ARG 827 Ca 0.10 -0.32 -0.09 0.00 0.07 0.00 0.00 59.98 59.74 1u89 h ARG 827 Cb 0.12 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1u89 h ARG 827 CO -0.01 1.04 0.01 0.82 -1.07 0.00 0.00 179.97 180.76 1u89 h ILE 828 N 1.01 1.26 -0.25 2.04 2.04 -0.65 -2.19 117.51 120.78 1u89 h ILE 828 Ca 0.19 -1.13 0.03 0.00 1.00 0.00 0.00 64.86 64.95 1u89 h ILE 828 Cb 0.51 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1u89 h ILE 828 CO 0.02 0.41 0.05 0.25 0.00 0.00 0.00 178.15 178.89 1u89 h LEU 829 N 0.96 0.02 -1.01 1.44 5.85 -0.32 0.11 115.31 122.36 1u89 h LEU 829 Ca 0.17 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.98 1u89 h LEU 829 Cb 0.54 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 1u89 h LEU 829 CO 0.03 0.05 0.66 0.00 -0.34 0.00 0.00 178.44 178.83 1u89 h ALA 830 N 1.18 1.37 0.12 1.25 0.00 -0.69 -0.28 119.26 122.20 1u89 h ALA 830 Ca 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1u89 h ALA 830 Cb 0.11 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1u89 h ALA 830 CO -0.14 0.50 -0.06 0.37 0.00 0.00 0.00 179.25 179.92 1u89 h GLN 831 N 1.23 -0.15 -0.27 0.00 5.75 -0.84 -2.46 115.11 118.36 1u89 h GLN 831 Ca 0.42 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.92 1u89 h GLN 831 Cb 0.08 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 1u89 h GLN 831 CO -0.15 0.14 0.13 0.00 -2.65 0.00 0.00 178.83 176.30 1u89 h ALA 832 N 0.38 0.35 -0.33 3.38 0.00 -0.35 -2.44 119.26 120.25 1u89 h ALA 832 Ca -0.02 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1u89 h ALA 832 Cb 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1u89 h ALA 832 CO 0.03 -0.08 -0.24 1.15 0.00 0.00 0.00 179.25 180.11 1u89 h THR 833 N 0.30 1.27 -0.36 0.00 2.02 -1.15 -0.09 112.91 114.91 1u89 h THR 833 Ca 0.09 -1.31 -0.04 0.00 0.77 0.00 0.00 66.41 65.92 1u89 h THR 833 Cb 0.13 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 1u89 h THR 833 CO -0.01 0.43 0.05 -1.28 0.37 0.00 0.00 175.52 175.08 1u89 h SER 834 N 0.57 0.51 0.14 4.18 0.87 -1.23 0.25 113.55 118.84 1u89 h SER 834 Ca 0.08 -0.08 -0.22 0.00 -1.23 0.00 0.00 61.79 60.33 1u89 h SER 834 Cb 0.71 -0.13 0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1u89 h SER 834 CO 0.05 0.54 -0.88 -0.78 -0.53 0.00 0.00 176.83 175.24 1u89 h ASP 835 N 0.53 0.69 0.13 6.23 3.58 -1.08 -2.91 116.42 123.60 1u89 h ASP 835 Ca 0.12 -0.51 -0.01 0.00 0.42 0.00 0.00 57.03 57.06 1u89 h ASP 835 Cb 0.27 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.11 1u89 h ASP 835 CO 0.00 1.29 -0.06 0.25 -2.88 0.00 0.00 179.24 177.84 1u89 h LEU 836 N 0.34 -0.15 -0.89 2.28 5.85 -0.19 -2.60 115.31 119.95 1u89 h LEU 836 Ca -0.07 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 1u89 h LEU 836 Cb 1.50 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.53 1u89 h LEU 836 CO 0.16 0.08 0.46 0.58 -0.34 0.00 0.00 178.44 179.38 1u89 h VAL 837 N -0.39 1.26 -0.18 1.05 2.07 -0.63 -1.95 116.25 117.48 1u89 h VAL 837 Ca -0.02 -0.68 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 1u89 h VAL 837 Cb 0.31 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1u89 h VAL 837 CO 0.03 0.30 -0.18 -1.13 0.02 0.00 0.00 177.57 176.62 1u89 h ASN 838 N 1.25 0.30 -0.16 0.57 -1.24 -1.50 0.14 115.58 114.93 1u89 h ASN 838 Ca 0.31 -0.08 -0.02 0.00 0.71 0.00 0.00 56.30 57.22 1u89 h ASN 838 Cb 0.07 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.03 1u89 h ASN 838 CO -0.05 0.50 0.03 0.00 -1.29 0.00 0.00 177.43 176.62 1u89 h ALA 839 N 1.54 0.21 -0.23 1.57 0.00 -0.96 -1.53 119.26 119.86 1u89 h ALA 839 Ca 0.05 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1u89 h ALA 839 Cb 0.48 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1u89 h ALA 839 CO 0.03 -0.13 -0.18 0.82 0.00 0.00 0.00 179.25 179.80 1u89 h ILE 840 N 0.05 1.23 -0.44 0.00 2.04 -1.09 -1.22 117.51 118.08 1u89 h ILE 840 Ca 0.05 -1.06 0.01 0.00 1.00 0.00 0.00 64.86 64.86 1u89 h ILE 840 Cb 0.30 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1u89 h ILE 840 CO 0.00 0.34 0.28 0.50 0.00 0.00 0.00 178.15 179.27 1u89 h LYS 841 N 0.37 0.56 -0.11 2.37 3.64 -0.47 0.29 116.57 123.22 1u89 h LYS 841 Ca 0.06 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 1u89 h LYS 841 Cb 0.53 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1u89 h LYS 841 CO 0.03 0.37 -0.51 0.00 -2.27 0.00 0.00 179.45 177.07 1u89 h ALA 842 N 1.17 0.93 -0.04 5.00 0.00 -0.95 -1.69 119.26 123.68 1u89 h ALA 842 Ca 0.17 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1u89 h ALA 842 Cb -0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1u89 h ALA 842 CO -0.05 0.67 -0.03 -0.44 0.00 0.00 0.00 179.25 179.40 1u89 h ASP 843 N 0.23 0.10 0.91 0.00 3.32 -0.78 -3.07 116.42 117.13 1u89 h ASP 843 Ca 0.01 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1u89 h ASP 843 Cb 0.98 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.51 1u89 h ASP 843 CO 0.08 0.52 0.00 0.00 -1.72 0.00 0.00 179.24 178.12 1u89 h ALA 844 N 0.59 1.00 -0.52 3.45 0.00 -0.42 -2.48 119.26 120.88 1u89 h ALA 844 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1u89 h ALA 844 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1u89 h ALA 844 CO 0.01 0.00 0.27 0.93 0.00 0.00 0.00 179.25 180.46 1u89 h GLU 845 N 0.00 0.72 -0.63 0.00 5.08 -1.20 -3.07 114.58 115.48 1u89 h GLU 845 Ca 0.00 -0.08 -0.45 0.00 -1.00 0.00 0.00 59.36 57.84 1u89 h GLU 845 Cb 0.45 -0.15 -0.41 0.00 0.50 0.00 0.00 28.75 29.15 1u89 h GLU 845 CO 0.00 0.54 -0.89 0.41 -1.00 0.00 0.00 179.01 178.07 1u89 n GLY 846 N -1.26 5.10 3.76 -3.84 0.00 -0.96 -5.07 105.19 102.92 1u89 n GLY 846 Ca 0.05 -2.19 -0.33 0.00 0.00 0.00 0.00 46.02 43.55 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 -3.60 2.76 0.21 1.61 -6.30 -1.02 -4.48 118.70 107.89 1u89 s GLU 847 Ca 0.44 1.46 0.10 0.00 -2.50 0.00 0.00 54.97 54.47 1u89 s GLU 847 Cb 0.39 -1.94 0.06 0.00 0.00 0.00 0.00 34.13 32.64 1u89 s GLU 847 CO 0.01 -1.29 1.43 0.77 0.02 0.00 0.00 175.26 176.20 1u89 h SER 848 N 0.09 0.00 -3.62 -1.70 0.02 -1.90 -3.42 113.55 103.02 1u89 h SER 848 Ca -0.47 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 59.82 1u89 h SER 848 Cb 1.25 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.56 1u89 h SER 848 CO 0.54 0.77 -0.62 -0.62 -1.14 0.00 0.00 176.83 175.76 1u89 s ASP 849 N -6.69 5.15 0.33 3.07 2.15 -1.26 -4.96 116.67 114.46 1u89 s ASP 849 Ca 0.01 -0.40 0.26 0.00 0.43 0.00 0.00 52.55 52.85 1u89 s ASP 849 Cb 0.10 -1.91 0.90 0.00 -0.30 0.00 0.00 42.92 41.71 1u89 s ASP 849 CO 0.78 -0.10 1.77 -0.07 -0.17 0.00 0.00 175.17 177.38 1u89 h LEU 850 N 8.25 0.00 0.08 -1.34 -0.00 -1.97 -2.05 115.31 118.28 1u89 h LEU 850 Ca -0.36 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.37 1u89 h LEU 850 Cb 1.16 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.83 1u89 h LEU 850 CO 0.59 0.00 -0.65 -0.08 -0.00 0.00 0.00 178.44 178.31 1u89 h GLU 851 N 0.00 0.29 -0.71 1.13 4.81 -1.98 -3.34 114.58 114.78 1u89 h GLU 851 Ca 0.00 -0.43 -0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1u89 h GLU 851 Cb 0.61 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.11 1u89 h GLU 851 CO 0.00 1.16 0.43 -0.97 -0.73 0.00 0.00 179.01 178.90 1u89 h ASN 852 N -0.36 0.85 -0.72 1.04 -1.24 -1.90 -2.66 115.58 110.59 1u89 h ASN 852 Ca -0.10 -0.04 0.05 0.00 0.71 0.00 0.00 56.30 56.91 1u89 h ASN 852 Cb 1.45 -0.21 -0.05 0.00 0.73 0.00 0.00 38.32 40.23 1u89 h ASN 852 CO 0.12 0.65 0.43 0.77 -1.29 0.00 0.00 177.43 178.11 1u89 h SER 853 N 0.98 0.66 -0.56 1.15 4.64 -1.50 0.29 113.55 119.21 1u89 h SER 853 Ca 0.26 0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.57 1u89 h SER 853 Cb -0.04 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 61.90 1u89 h SER 853 CO -0.05 0.43 0.25 0.03 -0.87 0.00 0.00 176.83 176.63 1u89 h ARG 854 N 0.79 0.82 -0.47 4.77 -0.00 -1.60 -1.32 114.38 117.38 1u89 h ARG 854 Ca 0.31 -0.13 0.01 0.00 -0.50 0.00 0.00 59.98 59.67 1u89 h ARG 854 Cb 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 29.97 29.95 1u89 h ARG 854 CO -0.16 0.69 0.31 0.87 0.00 0.00 0.00 179.97 181.68 1u89 h LYS 855 N 0.77 0.61 -0.16 0.04 1.79 -1.11 -0.31 116.57 118.20 1u89 h LYS 855 Ca 0.19 -0.04 0.03 0.00 -2.18 0.00 0.00 60.65 58.65 1u89 h LYS 855 Cb 0.15 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 30.63 1u89 h LYS 855 CO -0.02 0.41 -0.02 -0.07 -1.08 0.00 0.00 179.45 178.67 1u89 h LEU 856 N 0.63 -0.10 -0.50 2.94 3.38 0.03 -1.88 115.31 119.81 1u89 h LEU 856 Ca 0.17 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.10 1u89 h LEU 856 Cb -0.07 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1u89 h LEU 856 CO -0.04 -0.03 -0.41 -0.07 0.09 0.00 0.00 178.44 177.98 1u89 h LEU 857 N 0.03 0.00 -0.33 1.67 3.38 -1.14 -1.83 115.31 117.08 1u89 h LEU 857 Ca 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1u89 h LEU 857 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1u89 h LEU 857 CO -0.15 0.41 0.08 0.28 0.09 0.00 0.00 178.44 179.15 1u89 h SER 858 N 0.00 0.50 -0.33 -0.43 0.02 -0.50 1.00 113.55 113.80 1u89 h SER 858 Ca -0.00 -0.23 -0.14 0.00 -0.84 0.00 0.00 61.79 60.57 1u89 h SER 858 Cb 1.11 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 1u89 h SER 858 CO 0.05 0.60 -0.32 0.00 -1.14 0.00 0.00 176.83 176.02 1u89 h ALA 859 N 0.92 0.70 -0.49 3.77 0.00 -1.27 -2.84 119.26 120.05 1u89 h ALA 859 Ca 0.10 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1u89 h ALA 859 Cb 0.30 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1u89 h ALA 859 CO 0.00 0.67 0.19 0.00 0.00 0.00 0.00 179.25 180.10 1u89 h ALA 860 N 0.90 1.41 -0.51 0.00 0.00 -1.15 -0.75 119.26 119.16 1u89 h ALA 860 Ca 0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1u89 h ALA 860 Cb 0.89 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1u89 h ALA 860 CO 0.08 0.45 0.25 0.87 0.00 0.00 0.00 179.25 180.89 1u89 h LYS 861 N 0.70 0.73 -0.57 0.00 6.56 -0.60 -1.57 116.57 121.82 1u89 h LYS 861 Ca 0.17 -0.11 -0.06 0.00 -1.06 0.00 0.00 60.65 59.59 1u89 h LYS 861 Cb 0.15 -0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 31.66 1u89 h LYS 861 CO -0.01 0.61 0.10 0.82 -2.06 0.00 0.00 179.45 178.90 1u89 h ILE 862 N 0.68 1.24 0.12 1.86 2.04 -1.19 -0.11 117.51 122.15 1u89 h ILE 862 Ca 0.18 -0.93 0.02 0.00 1.00 0.00 0.00 64.86 65.13 1u89 h ILE 862 Cb 0.11 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 1u89 h ILE 862 CO -0.02 0.34 -0.32 -0.07 0.00 0.00 0.00 178.15 178.08 1u89 h LEU 863 N 0.86 -0.93 -0.49 1.44 -0.00 -0.67 0.15 115.31 115.67 1u89 h LEU 863 Ca 0.18 0.11 -0.09 0.00 -0.00 0.00 0.00 57.88 58.08 1u89 h LEU 863 Cb 0.37 0.35 -0.02 0.00 -0.00 0.00 0.00 40.66 41.37 1u89 h LEU 863 CO 0.01 -0.41 -0.05 0.00 -0.00 0.00 0.00 178.44 177.99 1u89 h ALA 864 N 0.10 0.67 0.06 1.53 0.00 -1.10 -2.04 119.26 118.48 1u89 h ALA 864 Ca 0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1u89 h ALA 864 Cb 0.58 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1u89 h ALA 864 CO -0.19 0.52 -0.03 0.22 0.00 0.00 0.00 179.25 179.77 1u89 h ASP 865 N 0.75 -0.06 -0.19 0.00 3.58 -0.85 -1.70 116.42 117.95 1u89 h ASP 865 Ca 0.13 -0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.34 1u89 h ASP 865 Cb 0.58 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 1u89 h ASP 865 CO 0.03 0.17 0.03 0.00 -2.88 0.00 0.00 179.24 176.59 1u89 h ALA 866 N 0.63 1.53 -0.57 -0.78 0.00 -0.72 -0.70 119.26 118.64 1u89 h ALA 866 Ca -0.01 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1u89 h ALA 866 Cb 0.27 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1u89 h ALA 866 CO 0.01 0.35 0.07 1.15 0.00 0.00 0.00 179.25 180.83 1u89 h THR 867 N 0.41 1.26 -0.32 0.00 2.02 -1.17 0.16 112.91 115.26 1u89 h THR 867 Ca 0.09 -1.02 -0.09 0.00 0.77 0.00 0.00 66.41 66.17 1u89 h THR 867 Cb 0.23 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1u89 h THR 867 CO 0.00 0.37 -0.16 0.00 0.37 0.00 0.00 175.52 176.10 1u89 h ALA 868 N 0.99 1.12 -0.68 6.16 0.00 -0.55 -0.99 119.26 125.30 1u89 h ALA 868 Ca 0.17 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1u89 h ALA 868 Cb 0.45 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1u89 h ALA 868 CO 0.02 0.55 0.14 0.87 0.00 0.00 0.00 179.25 180.83 1u89 h LYS 869 N 0.53 1.10 0.09 0.00 6.56 -0.73 0.80 116.57 124.92 1u89 h LYS 869 Ca 0.09 -0.27 0.00 0.00 -1.06 0.00 0.00 60.65 59.41 1u89 h LYS 869 Cb 0.58 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 32.09 1u89 h LYS 869 CO 0.04 0.98 -0.09 0.52 -2.06 0.00 0.00 179.45 178.84 1u89 h MET 870 N 1.04 -0.20 -0.85 3.15 2.86 -0.06 0.32 114.93 121.19 1u89 h MET 870 Ca 0.21 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.84 1u89 h MET 870 Cb 0.39 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.06 1u89 h MET 870 CO 0.01 -0.13 0.43 -0.24 1.06 0.00 0.00 176.91 178.03 1u89 h VAL 871 N -0.20 1.26 -0.08 -2.22 3.04 -1.03 -0.33 116.25 116.68 1u89 h VAL 871 Ca 0.00 -0.69 -0.04 0.00 -1.01 0.00 0.00 66.70 64.97 1u89 h VAL 871 Cb 0.20 0.15 -0.00 0.00 -2.01 0.00 0.00 31.29 29.62 1u89 h VAL 871 CO -0.03 0.30 -0.11 -0.08 -1.01 0.00 0.00 177.57 176.64 1u89 h GLU 872 N 1.20 0.23 -0.39 4.17 4.81 -0.54 -2.56 114.58 121.49 1u89 h GLU 872 Ca 0.29 -0.13 -0.14 0.00 -0.13 0.00 0.00 59.36 59.26 1u89 h GLU 872 Cb 0.08 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1u89 h GLU 872 CO -0.04 0.68 -0.29 0.00 -0.73 0.00 0.00 179.01 178.63 1u89 h ALA 873 N 0.54 0.73 -0.66 2.92 0.00 -0.28 -0.42 119.26 122.09 1u89 h ALA 873 Ca 0.01 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 1u89 h ALA 873 Cb 0.65 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1u89 h ALA 873 CO 0.03 0.66 0.16 0.00 0.00 0.00 0.00 179.25 180.10 1u89 h ALA 874 N 0.94 1.05 0.00 0.00 0.00 -1.10 -0.88 119.26 119.27 1u89 h ALA 874 Ca 0.08 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1u89 h ALA 874 Cb 0.85 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1u89 h ALA 874 CO 0.07 0.63 -0.63 0.87 0.00 0.00 0.00 179.25 180.19 1u89 h LYS 875 N 0.99 0.00 -0.40 0.00 1.57 -1.30 -3.17 116.57 114.26 1u89 h LYS 875 Ca 0.21 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.83 1u89 h LYS 875 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1u89 h LYS 875 CO -0.00 0.63 -0.36 0.78 -0.57 0.00 0.00 179.45 179.93 1u89 h GLY 876 N 2.49 1.03 -3.64 3.86 0.00 -0.54 -3.10 103.07 103.17 1u89 h GLY 876 Ca -0.01 -1.03 -0.45 0.00 0.00 0.00 0.00 47.33 45.84 1u89 h GLY 876 CO 0.08 0.93 0.58 0.00 0.00 0.00 0.00 176.54 178.13 1u89 n ALA 877 N -2.54 5.48 -2.37 3.60 0.00 -0.38 -4.87 120.51 119.42 1u89 n ALA 877 Ca -0.02 -2.31 -0.36 0.00 0.00 0.00 0.00 53.44 50.74 1u89 n ALA 877 Cb 0.53 -1.50 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 1u89 n ALA 877 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u89 s ALA 878 N -2.56 2.49 -0.88 0.00 0.00 -1.18 -4.66 121.76 114.98 1u89 s ALA 878 Ca 0.43 -2.26 0.26 0.00 0.00 0.00 0.00 51.96 50.40 1u89 s ALA 878 Cb 0.34 -4.59 0.72 0.00 0.00 0.00 0.00 23.12 19.59 1u89 s ALA 878 CO 0.00 -4.06 1.59 0.00 0.00 0.00 0.00 175.76 173.29 1u89 n ALA 879 N 10.78 2.89 -3.93 0.00 0.00 -1.26 -4.53 120.51 124.46 1u89 n ALA 879 Ca 0.41 -0.21 -0.30 0.00 0.00 0.00 0.00 53.44 53.34 1u89 n ALA 879 Cb 0.48 -1.28 -0.14 0.00 0.00 0.00 0.00 19.45 18.51 1u89 n ALA 879 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1u89 s HIS 880 N -3.05 3.09 0.30 0.00 5.65 -1.26 -4.94 115.29 115.08 1u89 s HIS 880 Ca 0.11 -3.01 -0.30 0.00 0.25 0.00 0.00 55.06 52.11 1u89 s HIS 880 Cb 0.16 -2.69 -0.12 0.00 -1.18 0.00 0.00 32.58 28.76 1u89 s HIS 880 CO 0.64 -0.79 1.58 -2.30 -0.65 0.00 0.00 174.74 173.22 1u89 n PRO 881 N 3.42 2.69 -1.58 2.88 -0.02 -1.26 -1.54 135.00 139.59 1u89 n PRO 881 Ca 0.05 0.95 -0.41 0.00 -2.02 0.00 0.00 63.50 62.07 1u89 n PRO 881 Cb 0.34 -2.73 -0.03 0.00 -0.02 0.00 0.00 33.50 31.06 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 1.94 3.28 -0.71 2.55 2.03 -1.26 -4.12 116.55 120.25 1u89 n ASP 882 Ca 0.08 -2.76 0.03 0.00 0.52 0.00 0.00 54.79 52.65 1u89 n ASP 882 Cb 0.37 -1.43 0.04 0.00 -0.72 0.00 0.00 41.12 39.38 1u89 n ASP 882 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1u89 n SER 883 N 7.75 0.71 0.07 1.67 7.64 -1.26 -4.85 113.62 125.35 1u89 n SER 883 Ca 0.50 -2.28 -0.21 0.00 1.01 0.00 0.00 58.87 57.88 1u89 n SER 883 Cb 0.41 -0.28 -0.12 0.00 -1.01 0.00 0.00 64.21 63.21 1u89 n SER 883 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1u89 h GLU 884 N 0.33 0.66 0.00 1.43 9.09 -1.98 -3.47 114.58 120.65 1u89 h GLU 884 Ca -0.06 -0.80 0.00 0.00 0.05 0.00 0.00 59.36 58.55 1u89 h GLU 884 Cb 1.45 0.25 0.00 0.00 -1.65 0.00 0.00 28.75 28.80 1u89 h GLU 884 CO 0.03 1.36 0.00 0.39 0.05 0.00 0.00 179.01 180.84 1u89 n GLU 885 N -3.82 0.00 -4.09 1.06 -0.58 -1.26 -4.28 120.64 107.67 1u89 n GLU 885 Ca -0.13 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.46 1u89 n GLU 885 Cb 0.94 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 31.67 1u89 n GLU 885 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1u89 s GLN 886 N 0.00 0.34 -1.19 3.49 1.11 -1.26 -5.06 119.66 117.10 1u89 s GLN 886 Ca 0.00 -0.14 -0.15 0.00 0.01 0.00 0.00 55.36 55.08 1u89 s GLN 886 Cb 0.00 -0.34 -0.06 0.00 -1.01 0.00 0.00 33.01 31.61 1u89 s GLN 886 CO 0.00 0.08 2.22 0.94 0.01 0.00 0.00 175.29 178.54 1u89 n GLN 887 N 3.03 2.43 -3.71 2.91 7.27 -1.26 -4.78 117.38 123.27 1u89 n GLN 887 Ca -0.13 -2.15 -0.13 0.00 0.07 0.00 0.00 57.00 54.66 1u89 n GLN 887 Cb 0.58 -2.99 -0.10 0.00 2.41 0.00 0.00 30.24 30.15 1u89 n GLN 887 CO 0.00 0.00 0.00 1.14 0.07 0.00 0.00 177.06 178.27 1u89 s GLN 888 N 3.68 0.52 0.00 3.69 1.03 -1.26 -5.30 119.66 122.02 1u89 s GLN 888 Ca 0.53 0.69 0.00 0.00 0.04 0.00 0.00 55.36 56.62 1u89 s GLN 888 Cb 0.14 0.21 0.00 0.00 0.03 0.00 0.00 33.01 33.40 1u89 s GLN 888 CO -0.01 -0.08 0.00 2.89 -2.54 0.00 0.00 175.29 175.55