#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 7.14 0.00 1.61 0.01 -1.25 -4.78 113.70 116.43 1u89 s SER 752 Ca 0.00 1.35 0.00 0.00 1.31 0.00 0.00 55.95 58.61 1u89 s SER 752 Cb 0.00 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1u89 s SER 752 CO 0.00 0.19 0.00 1.41 0.41 0.00 0.00 173.24 175.25 1u89 n HIS 753 N 2.03 0.00 -2.73 2.43 8.25 -1.26 -4.97 115.22 118.97 1u89 n HIS 753 Ca -0.08 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.32 1u89 n HIS 753 Cb 0.50 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.66 1u89 n HIS 753 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1u89 n MET 754 N 0.00 0.59 0.00 -0.41 1.56 -1.26 -5.06 117.12 112.54 1u89 n MET 754 Ca 0.00 -1.55 0.00 0.00 -0.27 0.00 0.00 57.70 55.88 1u89 n MET 754 Cb 0.00 -1.17 0.00 0.00 2.15 0.00 0.00 33.22 34.20 1u89 n MET 754 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28 1u89 n GLN 755 N 1.90 0.00 -4.60 2.12 3.00 -1.26 -5.09 117.38 113.44 1u89 n GLN 755 Ca 0.09 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.77 1u89 n GLN 755 Cb 0.63 0.00 -0.12 0.00 0.00 0.00 0.00 30.24 30.75 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 -3.33 2.77 -0.39 -1.58 0.00 -1.26 -5.09 121.76 112.88 1u89 s ALA 756 Ca 0.00 -1.11 -0.02 0.00 0.00 0.00 0.00 51.96 50.83 1u89 s ALA 756 Cb 0.00 -0.91 0.10 0.00 0.00 0.00 0.00 23.12 22.31 1u89 s ALA 756 CO 0.00 0.59 0.16 0.00 0.00 0.00 0.00 175.76 176.51 1u89 s ALA 757 N -0.94 3.09 -0.30 0.00 0.00 -1.26 -4.89 121.76 117.47 1u89 s ALA 757 Ca 0.15 -2.41 -0.28 0.00 0.00 0.00 0.00 51.96 49.42 1u89 s ALA 757 Cb -0.11 -2.31 -0.02 0.00 0.00 0.00 0.00 23.12 20.67 1u89 s ALA 757 CO 0.06 -1.71 1.86 0.95 0.00 0.00 0.00 175.76 176.92 1u89 s THR 758 N 1.15 3.41 0.28 0.00 -4.23 -1.26 -4.85 115.64 110.13 1u89 s THR 758 Ca 0.06 0.42 -0.00 0.00 -1.18 0.00 0.00 61.69 60.99 1u89 s THR 758 Cb -0.22 -3.54 0.11 0.00 1.34 0.00 0.00 72.50 70.20 1u89 s THR 758 CO -0.04 -0.33 1.77 -0.33 -0.54 0.00 0.00 174.62 175.15 1u89 h GLU 759 N 13.05 0.69 -0.06 3.99 5.08 -2.03 -1.75 114.58 133.55 1u89 h GLU 759 Ca -0.35 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1u89 h GLU 759 Cb 1.18 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1u89 h GLU 759 CO 1.01 0.73 0.00 -0.40 -1.00 0.00 0.00 179.01 179.36 1u89 n ASP 760 N -4.21 1.11 -1.05 1.42 5.75 -1.26 -4.91 116.55 113.40 1u89 n ASP 760 Ca 0.02 -1.47 -0.09 0.00 -0.01 0.00 0.00 54.79 53.24 1u89 n ASP 760 Cb 0.31 -0.03 -0.01 0.00 -1.03 0.00 0.00 41.12 40.36 1u89 n ASP 760 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1u89 n GLY 761 N 1.09 0.08 0.30 6.12 0.00 -0.66 -4.89 105.19 107.23 1u89 n GLY 761 Ca 0.18 -0.50 0.13 0.00 0.00 0.00 0.00 46.02 45.83 1u89 n GLY 761 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1u89 h GLN 762 N 0.00 0.00 -0.74 1.61 5.75 -1.91 0.23 115.11 120.05 1u89 h GLN 762 Ca -0.22 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.28 1u89 h GLN 762 Cb 1.12 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.63 1u89 h GLN 762 CO 0.27 0.00 0.45 -0.07 -2.65 0.00 0.00 178.83 176.83 1u89 h LEU 763 N 0.00 0.88 0.11 -2.39 -0.00 -1.90 0.76 115.31 112.76 1u89 h LEU 763 Ca 0.08 -0.04 -0.36 0.00 -0.00 0.00 0.00 57.88 57.55 1u89 h LEU 763 Cb 0.31 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.73 1u89 h LEU 763 CO -0.00 0.67 -2.00 0.18 -0.00 0.00 0.00 178.44 177.29 1u89 n LEU 764 N -4.39 2.50 -0.32 1.67 7.99 -0.47 -1.84 117.00 122.13 1u89 n LEU 764 Ca 0.08 0.21 -0.03 0.00 -0.01 0.00 0.00 56.01 56.25 1u89 n LEU 764 Cb 0.06 -1.00 0.09 0.00 -0.11 0.00 0.00 43.42 42.47 1u89 n LEU 764 CO 0.37 0.82 1.24 0.03 -1.51 0.00 0.00 177.39 178.34 1u89 h ARG 765 N 0.06 1.14 0.00 3.23 3.08 -0.49 -1.25 114.38 120.16 1u89 h ARG 765 Ca -0.42 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1u89 h ARG 765 Cb 2.03 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 31.82 1u89 h ARG 765 CO 0.08 0.76 -0.19 0.41 -1.07 0.00 0.00 179.97 179.95 1u89 n GLY 766 N -1.34 -0.62 0.14 0.04 0.00 0.25 -4.17 105.19 99.50 1u89 n GLY 766 Ca 0.10 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.30 1.28 -0.50 1.61 2.07 -1.56 -0.76 116.25 118.10 1u89 h VAL 767 Ca 0.00 -1.02 0.06 0.00 0.82 0.00 0.00 66.70 66.56 1u89 h VAL 767 Cb 0.19 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 1u89 h VAL 767 CO 0.00 0.31 0.20 1.23 0.02 0.00 0.00 177.57 179.33 1u89 h GLY 768 N 0.13 0.67 0.91 2.17 0.00 -0.55 0.43 103.07 106.83 1u89 h GLY 768 Ca 0.05 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 1u89 h GLY 768 CO 0.02 0.04 -0.07 0.00 0.00 0.00 0.00 176.54 176.53 1u89 h ALA 769 N 1.32 0.44 -0.48 3.60 0.00 -1.19 -1.01 119.26 121.94 1u89 h ALA 769 Ca 0.23 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1u89 h ALA 769 Cb 0.22 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1u89 h ALA 769 CO -0.22 0.27 0.14 0.00 0.00 0.00 0.00 179.25 179.44 1u89 h ALA 770 N 0.81 0.63 -0.48 0.00 0.00 -0.72 -1.98 119.26 117.53 1u89 h ALA 770 Ca 0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1u89 h ALA 770 Cb 0.56 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1u89 h ALA 770 CO 0.03 0.30 0.18 0.00 0.00 0.00 0.00 179.25 179.77 1u89 h ALA 771 N 1.00 0.62 -1.00 0.00 0.00 -0.13 -2.74 119.26 117.02 1u89 h ALA 771 Ca 0.15 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1u89 h ALA 771 Cb 0.29 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 1u89 h ALA 771 CO -0.00 0.24 0.65 1.15 0.00 0.00 0.00 179.25 181.28 1u89 h THR 772 N 0.63 1.09 -0.92 0.00 2.02 -0.97 -0.68 112.91 114.08 1u89 h THR 772 Ca 0.16 -0.40 0.05 0.00 0.77 0.00 0.00 66.41 66.98 1u89 h THR 772 Cb 0.21 -0.19 -0.06 0.00 -1.74 0.00 0.00 68.15 66.37 1u89 h THR 772 CO -0.01 0.21 0.60 0.00 0.37 0.00 0.00 175.52 176.69 1u89 h ALA 773 N 1.46 1.45 -0.05 6.16 0.00 -1.06 0.58 119.26 127.80 1u89 h ALA 773 Ca 0.43 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1u89 h ALA 773 Cb 0.16 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1u89 h ALA 773 CO -0.17 0.44 -0.06 0.28 0.00 0.00 0.00 179.25 179.75 1u89 h VAL 774 N 1.11 1.39 -1.00 0.00 2.07 -1.03 0.21 116.25 119.01 1u89 h VAL 774 Ca 0.38 -1.25 0.10 0.00 0.82 0.00 0.00 66.70 66.74 1u89 h VAL 774 Cb 0.09 2.13 -0.08 0.00 -1.52 0.00 0.00 31.29 31.91 1u89 h VAL 774 CO -0.13 0.34 0.63 0.74 0.02 0.00 0.00 177.57 179.18 1u89 h THR 775 N -0.35 0.98 0.09 2.57 2.02 -0.81 0.22 112.91 117.63 1u89 h THR 775 Ca 0.01 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 1u89 h THR 775 Cb 0.58 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 1u89 h THR 775 CO 0.01 0.19 -0.04 1.56 0.37 0.00 0.00 175.52 177.61 1u89 h GLN 776 N 1.05 -0.12 -0.84 6.66 1.08 -0.86 -2.65 115.11 119.44 1u89 h GLN 776 Ca 0.47 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.74 1u89 h GLN 776 Cb 0.38 0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.77 1u89 h GLN 776 CO -0.23 0.33 0.52 0.00 -0.95 0.00 0.00 178.83 178.50 1u89 h ALA 777 N 0.19 1.15 -0.22 3.87 0.00 -0.52 0.18 119.26 123.90 1u89 h ALA 777 Ca -0.01 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1u89 h ALA 777 Cb 0.51 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1u89 h ALA 777 CO 0.02 0.28 0.10 1.25 0.00 0.00 0.00 179.25 180.91 1u89 h LEU 778 N 0.97 0.15 -0.61 0.00 5.85 -0.62 -0.10 115.31 120.95 1u89 h LEU 778 Ca 0.36 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.98 1u89 h LEU 778 Cb 0.14 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1u89 h LEU 778 CO -0.16 0.12 -0.13 0.78 -0.34 0.00 0.00 178.44 178.71 1u89 h ASN 779 N 0.23 0.97 0.22 1.25 2.35 -0.98 0.11 115.58 119.73 1u89 h ASN 779 Ca 0.09 -0.32 -0.00 0.00 -0.55 0.00 0.00 56.30 55.52 1u89 h ASN 779 Cb 0.03 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 1u89 h ASN 779 CO -0.07 1.10 -0.17 -0.33 -1.65 0.00 0.00 177.43 176.30 1u89 h GLU 780 N 0.86 -0.39 -0.56 0.81 4.39 -0.38 -2.45 114.58 116.87 1u89 h GLU 780 Ca 0.13 0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.78 1u89 h GLU 780 Cb 0.68 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 1u89 h GLU 780 CO 0.05 -0.26 0.04 1.25 -1.16 0.00 0.00 179.01 178.93 1u89 h LEU 781 N -0.40 0.93 0.15 1.33 5.85 -0.91 -2.44 115.31 119.82 1u89 h LEU 781 Ca -0.01 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.43 1u89 h LEU 781 Cb 0.36 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1u89 h LEU 781 CO -0.01 0.99 -0.27 -0.07 -0.34 0.00 0.00 178.44 178.74 1u89 h LEU 782 N 0.84 -0.76 -1.28 2.25 3.38 -0.63 0.48 115.31 119.59 1u89 h LEU 782 Ca 0.16 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 1u89 h LEU 782 Cb 0.49 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1u89 h LEU 782 CO 0.02 -0.37 -0.35 0.06 0.09 0.00 0.00 178.44 177.90 1u89 h GLN 783 N -0.50 0.00 -0.19 1.13 3.07 -1.47 0.44 115.11 117.59 1u89 h GLN 783 Ca 0.02 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.65 1u89 h GLN 783 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.07 1u89 h GLN 783 CO -0.14 0.35 -0.33 1.25 0.09 0.00 0.00 178.83 180.05 1u89 h HIS 784 N 0.00 0.70 -0.06 0.06 2.76 -0.82 -2.99 115.15 114.79 1u89 h HIS 784 Ca -0.00 -0.25 -0.12 0.00 -2.20 0.00 0.00 60.37 57.80 1u89 h HIS 784 Cb 0.66 -0.13 0.01 0.00 1.55 0.00 0.00 27.41 29.49 1u89 h HIS 784 CO 0.00 0.98 -0.43 0.28 -1.30 0.00 0.00 177.93 177.45 1u89 h VAL 785 N 0.23 1.41 0.00 5.26 2.07 0.13 -3.03 116.25 122.32 1u89 h VAL 785 Ca 0.01 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.69 1u89 h VAL 785 Cb 0.92 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 33.05 1u89 h VAL 785 CO 0.08 0.54 0.00 1.17 0.02 0.00 0.00 177.57 179.37 1u89 n LYS 786 N -4.32 0.06 -0.05 1.57 4.81 0.13 -0.77 118.16 119.59 1u89 n LYS 786 Ca -0.09 0.28 0.03 0.00 -0.87 0.00 0.00 58.31 57.66 1u89 n LYS 786 Cb 0.57 -1.50 0.05 0.00 0.02 0.00 0.00 35.03 34.17 1u89 n LYS 786 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1u89 n ALA 787 N -1.41 2.11 -3.00 3.14 0.00 -1.13 -5.02 120.51 115.20 1u89 n ALA 787 Ca 0.03 -1.38 0.00 0.00 0.00 0.00 0.00 53.44 52.09 1u89 n ALA 787 Cb 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.57 -0.17 -0.84 0.00 8.25 0.05 -5.05 115.22 116.89 1u89 n HIS 788 Ca 0.05 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.62 1u89 n HIS 788 Cb 0.37 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.43 1u89 n HIS 788 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u89 n ALA 789 N -3.00 -2.19 -2.70 -1.41 0.00 -1.26 -4.54 120.51 105.42 1u89 n ALA 789 Ca 0.00 0.45 -0.40 0.00 0.00 0.00 0.00 53.44 53.49 1u89 n ALA 789 Cb 0.00 -0.86 -0.11 0.00 0.00 0.00 0.00 19.45 18.48 1u89 n ALA 789 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1u89 s THR 790 N -3.05 4.90 -0.85 0.00 2.01 -1.26 -4.79 115.64 112.60 1u89 s THR 790 Ca 0.00 -0.48 -0.25 0.00 0.31 0.00 0.00 61.69 61.26 1u89 s THR 790 Cb 0.00 -3.59 -0.09 0.00 0.01 0.00 0.00 72.50 68.84 1u89 s THR 790 CO 0.00 -0.07 2.15 -0.83 -0.69 0.00 0.00 174.62 175.18 1u89 s GLY 791 N 1.64 -0.27 -0.40 4.40 0.00 -1.25 -4.33 107.32 107.11 1u89 s GLY 791 Ca 0.05 -1.17 0.07 0.00 0.00 0.00 0.00 44.72 43.66 1u89 s GLY 791 CO 0.08 3.82 0.51 0.00 0.00 0.00 0.00 173.10 177.52 1u89 n ALA 792 N 16.06 2.15 0.00 3.20 0.00 -1.24 -5.02 120.51 135.66 1u89 n ALA 792 Ca 0.43 -3.14 0.00 0.00 0.00 0.00 0.00 53.44 50.72 1u89 n ALA 792 Cb 0.45 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 1.76 0.81 2.25 0.00 0.00 -1.26 -4.48 105.19 104.26 1u89 n GLY 793 Ca 0.22 -1.24 -0.20 0.00 0.00 0.00 0.00 46.02 44.79 1u89 n GLY 793 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1u89 n PRO 794 N 3.59 2.30 -3.74 1.61 -0.02 -1.26 -4.76 135.00 132.71 1u89 n PRO 794 Ca 0.00 -1.32 -0.12 0.00 -2.02 0.00 0.00 63.50 60.04 1u89 n PRO 794 Cb 0.00 -2.25 -0.11 0.00 -0.02 0.00 0.00 33.50 31.11 1u89 n PRO 794 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u89 s ALA 795 N 1.95 -0.79 0.00 3.55 0.00 -1.26 -4.79 121.76 120.43 1u89 s ALA 795 Ca 0.56 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.59 1u89 s ALA 795 Cb 0.21 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.69 1u89 s ALA 795 CO -0.02 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1u89 n GLY 796 N 3.53 2.44 3.62 0.00 0.00 -1.26 -3.64 105.19 109.88 1u89 n GLY 796 Ca -0.18 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 1u89 n GLY 796 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1u89 s ARG 797 N -0.26 0.39 -0.40 1.61 1.70 -1.26 -3.50 118.95 117.22 1u89 s ARG 797 Ca 0.00 0.22 0.11 0.00 -0.47 0.00 0.00 55.73 55.60 1u89 s ARG 797 Cb 0.00 0.19 0.37 0.00 -0.57 0.00 0.00 34.95 34.93 1u89 s ARG 797 CO 0.00 -0.10 0.81 0.66 -1.08 0.00 0.00 175.30 175.59 1u89 n TYR 798 N 1.18 1.03 -0.25 5.89 4.02 -1.26 -4.93 117.16 122.84 1u89 n TYR 798 Ca -0.09 -3.69 -0.02 0.00 -0.01 0.00 0.00 57.90 54.09 1u89 n TYR 798 Cb 0.57 -0.41 0.09 0.00 -0.02 0.00 0.00 39.34 39.57 1u89 n TYR 798 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 1u89 h ASP 799 N 2.98 0.67 -0.69 7.72 3.58 -1.99 -1.77 116.42 126.91 1u89 h ASP 799 Ca 0.08 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.49 1u89 h ASP 799 Cb 0.92 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.82 1u89 h ASP 799 CO 0.56 0.45 0.22 -0.61 -2.88 0.00 0.00 179.24 176.98 1u89 h GLN 800 N 0.80 1.07 -0.14 0.28 5.75 -1.98 0.23 115.11 121.11 1u89 h GLN 800 Ca 0.29 -0.23 -0.01 0.00 -0.15 0.00 0.00 58.65 58.56 1u89 h GLN 800 Cb 0.09 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 1u89 h GLN 800 CO -0.14 0.92 0.05 0.00 -2.65 0.00 0.00 178.83 177.01 1u89 h ALA 801 N 1.10 0.19 -0.53 3.38 0.00 -1.76 -0.79 119.26 120.85 1u89 h ALA 801 Ca 0.22 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1u89 h ALA 801 Cb 0.29 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1u89 h ALA 801 CO -0.01 -0.20 -0.15 1.79 0.00 0.00 0.00 179.25 180.67 1u89 h THR 802 N 0.06 1.27 -0.67 0.00 1.35 -1.26 -2.27 112.91 111.38 1u89 h THR 802 Ca 0.05 -1.32 0.01 0.00 -0.55 0.00 0.00 66.41 64.60 1u89 h THR 802 Cb 0.21 1.02 -0.03 0.00 -1.73 0.00 0.00 68.15 67.62 1u89 h THR 802 CO -0.00 0.46 0.44 -0.78 -0.25 0.00 0.00 175.52 175.39 1u89 h ASP 803 N 0.90 0.75 -0.73 5.36 3.58 -0.82 -1.38 116.42 124.08 1u89 h ASP 803 Ca 0.13 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.52 1u89 h ASP 803 Cb 0.73 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.56 1u89 h ASP 803 CO 0.06 0.54 0.30 0.74 -2.88 0.00 0.00 179.24 178.00 1u89 h THR 804 N 0.89 1.25 0.70 2.25 2.02 -0.94 -2.64 112.91 116.44 1u89 h THR 804 Ca 0.25 -0.78 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 1u89 h THR 804 Cb -0.09 0.40 0.01 0.00 -1.74 0.00 0.00 68.15 66.73 1u89 h THR 804 CO -0.06 0.31 -0.34 0.40 0.37 0.00 0.00 175.52 176.21 1u89 h ILE 805 N 1.04 0.17 -0.72 3.11 2.04 -0.97 -2.79 117.51 119.39 1u89 h ILE 805 Ca 0.24 -0.24 0.14 0.00 1.00 0.00 0.00 64.86 66.01 1u89 h ILE 805 Cb 0.20 0.21 -0.10 0.00 -0.74 0.00 0.00 36.82 36.40 1u89 h ILE 805 CO -0.02 0.02 0.22 0.25 0.00 0.00 0.00 178.15 178.62 1u89 h LEU 806 N -1.14 0.13 -1.21 1.44 6.46 -1.28 0.21 115.31 119.92 1u89 h LEU 806 Ca -0.10 0.12 0.05 0.00 -0.12 0.00 0.00 57.88 57.84 1u89 h LEU 806 Cb 0.75 0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 40.77 1u89 h LEU 806 CO 0.16 0.03 0.55 0.74 -0.62 0.00 0.00 178.44 179.30 1u89 h THR 807 N 0.34 1.08 -0.04 1.05 2.02 -1.48 1.00 112.91 116.88 1u89 h THR 807 Ca 0.40 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 1u89 h THR 807 Cb 0.64 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1u89 h THR 807 CO -0.45 0.18 -0.03 0.58 0.37 0.00 0.00 175.52 176.18 1u89 h VAL 808 N 0.98 1.34 -0.71 3.16 2.07 -0.37 -0.76 116.25 121.97 1u89 h VAL 808 Ca 0.36 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1u89 h VAL 808 Cb 0.16 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 1u89 h VAL 808 CO -0.12 0.29 0.46 0.74 0.02 0.00 0.00 177.57 178.95 1u89 h THR 809 N -0.32 1.19 -0.06 2.57 2.02 -0.71 -1.64 112.91 115.96 1u89 h THR 809 Ca 0.01 -0.36 -0.08 0.00 0.77 0.00 0.00 66.41 66.74 1u89 h THR 809 Cb 0.48 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1u89 h THR 809 CO 0.01 0.18 -0.35 -0.08 0.37 0.00 0.00 175.52 175.66 1u89 h GLU 810 N 0.96 0.12 -0.58 6.66 4.22 -0.80 -2.24 114.58 122.91 1u89 h GLU 810 Ca 0.26 -0.04 -0.06 0.00 0.08 0.00 0.00 59.36 59.59 1u89 h GLU 810 Cb -0.09 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1u89 h GLU 810 CO -0.05 0.45 0.10 -0.91 -2.18 0.00 0.00 179.01 176.42 1u89 h ASN 811 N 0.10 0.88 -0.17 1.04 2.35 -0.24 -2.05 115.58 117.49 1u89 h ASN 811 Ca 0.01 -0.19 -0.07 0.00 -0.55 0.00 0.00 56.30 55.51 1u89 h ASN 811 Cb 0.66 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 1u89 h ASN 811 CO 0.05 0.88 -0.09 0.40 -1.65 0.00 0.00 177.43 177.02 1u89 h ILE 812 N 0.88 1.22 -0.59 2.81 2.04 -0.77 -0.34 117.51 122.76 1u89 h ILE 812 Ca 0.18 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 1u89 h ILE 812 Cb 0.37 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 1u89 h ILE 812 CO 0.01 0.32 0.29 -0.26 0.00 0.00 0.00 178.15 178.51 1u89 h PHE 813 N 0.49 0.85 -0.21 1.37 0.04 -0.95 -0.77 116.94 117.75 1u89 h PHE 813 Ca 0.09 -0.04 -0.11 0.00 2.80 0.00 0.00 57.97 60.71 1u89 h PHE 813 Cb 0.46 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 1u89 h PHE 813 CO 0.02 0.64 -0.35 0.77 -0.60 0.00 0.00 178.31 178.79 1u89 h SER 814 N 0.81 0.47 -0.84 2.17 0.02 -0.89 -3.06 113.55 112.24 1u89 h SER 814 Ca 0.21 -0.19 -0.39 0.00 -0.84 0.00 0.00 61.79 60.57 1u89 h SER 814 Cb 0.10 -0.13 -0.23 0.00 0.14 0.00 0.00 62.40 62.28 1u89 h SER 814 CO -0.03 0.79 0.45 -1.20 -1.14 0.00 0.00 176.83 175.71 1u89 n SER 815 N -4.06 3.82 -4.55 3.07 7.64 -0.18 -3.85 113.62 115.50 1u89 n SER 815 Ca -0.01 -3.54 -0.34 0.00 1.01 0.00 0.00 58.87 55.99 1u89 n SER 815 Cb 0.47 -0.78 -0.04 0.00 -1.01 0.00 0.00 64.21 62.85 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 -3.22 2.53 0.00 1.43 0.00 -0.33 -1.74 119.30 117.98 1u89 s MET 816 Ca 0.55 0.42 0.00 0.00 0.00 0.00 0.00 55.69 56.65 1u89 s MET 816 Cb 0.46 -4.61 0.00 0.00 0.00 0.00 0.00 34.83 30.68 1u89 s MET 816 CO 0.10 -3.02 0.00 0.41 0.00 0.00 0.00 175.02 172.51 1u89 n GLY 817 N 6.08 0.95 0.18 2.11 0.00 -1.26 -4.95 105.19 108.31 1u89 n GLY 817 Ca 0.28 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.40 1u89 n GLY 817 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1u89 h ASP 818 N 0.00 0.00 0.00 1.61 3.58 -1.67 -3.37 116.42 116.57 1u89 h ASP 818 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1u89 h ASP 818 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1u89 h ASP 818 CO 0.00 0.12 0.00 0.00 -2.88 0.00 0.00 179.24 176.48 1u89 n ALA 819 N -2.15 0.00 0.13 -0.78 0.00 -1.26 -4.29 120.51 112.17 1u89 n ALA 819 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 1u89 n ALA 819 Cb 0.59 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.96 1u89 n ALA 819 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1u89 h GLY 820 N 0.00 -0.27 1.78 0.00 0.00 -1.92 -0.66 103.07 102.00 1u89 h GLY 820 Ca 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 1u89 h GLY 820 CO 0.00 -0.10 0.08 -2.09 0.00 0.00 0.00 176.54 174.43 1u89 h GLU 821 N -0.29 0.28 0.11 4.80 4.81 -1.91 -0.78 114.58 121.61 1u89 h GLU 821 Ca -0.03 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1u89 h GLU 821 Cb 0.22 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1u89 h GLU 821 CO 0.04 0.25 -0.05 0.52 -0.73 0.00 0.00 179.01 179.04 1u89 h MET 822 N 0.29 -0.15 -0.65 1.92 2.86 -1.63 -1.54 114.93 116.03 1u89 h MET 822 Ca 0.07 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 1u89 h MET 822 Cb 0.07 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 1u89 h MET 822 CO -0.01 0.09 0.19 0.28 1.06 0.00 0.00 176.91 178.53 1u89 h VAL 823 N -0.38 1.24 0.25 -2.22 2.07 -0.81 0.12 116.25 116.53 1u89 h VAL 823 Ca -0.02 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1u89 h VAL 823 Cb 0.31 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1u89 h VAL 823 CO 0.03 0.33 -0.24 -0.09 0.02 0.00 0.00 177.57 177.62 1u89 h ARG 824 N 0.96 -0.50 -0.58 1.57 9.65 -1.03 0.32 114.38 124.77 1u89 h ARG 824 Ca 0.21 0.03 -0.07 0.00 -1.10 0.00 0.00 59.98 59.05 1u89 h ARG 824 Cb 0.29 0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.96 1u89 h ARG 824 CO -0.01 -0.33 0.08 1.96 2.80 0.00 0.00 179.97 184.47 1u89 h GLN 825 N -0.52 0.94 -0.40 0.20 1.08 -1.11 -2.53 115.11 112.77 1u89 h GLN 825 Ca -0.01 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 56.95 1u89 h GLN 825 Cb 0.47 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 1u89 h GLN 825 CO -0.04 0.88 0.22 0.00 -0.95 0.00 0.00 178.83 178.93 1u89 h ALA 826 N 1.19 1.63 -0.09 3.87 0.00 -0.39 0.37 119.26 125.85 1u89 h ALA 826 Ca 0.18 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1u89 h ALA 826 Cb 0.41 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1u89 h ALA 826 CO 0.01 0.31 -0.50 0.00 0.00 0.00 0.00 179.25 179.07 1u89 h ARG 827 N 0.55 0.24 -0.20 0.00 3.08 -0.53 -1.39 114.38 116.13 1u89 h ARG 827 Ca 0.14 -0.13 -0.21 0.00 0.07 0.00 0.00 59.98 59.85 1u89 h ARG 827 Cb 0.02 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.08 1u89 h ARG 827 CO -0.02 0.69 -0.69 0.82 -1.07 0.00 0.00 179.97 179.69 1u89 h ILE 828 N 0.19 1.28 -0.40 2.04 2.04 -0.91 -3.11 117.51 118.63 1u89 h ILE 828 Ca 0.01 -1.88 0.07 0.00 1.00 0.00 0.00 64.86 64.06 1u89 h ILE 828 Cb 0.95 1.85 -0.07 0.00 -0.74 0.00 0.00 36.82 38.81 1u89 h ILE 828 CO 0.08 0.60 -0.01 0.25 0.00 0.00 0.00 178.15 179.07 1u89 h LEU 829 N 0.58 -0.18 -0.71 1.44 5.85 -0.00 0.51 115.31 122.80 1u89 h LEU 829 Ca -0.03 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.85 1u89 h LEU 829 Cb 1.31 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 42.45 1u89 h LEU 829 CO 0.14 -0.05 0.41 0.00 -0.34 0.00 0.00 178.44 178.60 1u89 h ALA 830 N 1.36 0.97 -0.16 1.25 0.00 -1.28 -0.26 119.26 121.13 1u89 h ALA 830 Ca 0.20 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1u89 h ALA 830 Cb 0.28 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1u89 h ALA 830 CO -0.34 0.10 -0.03 0.37 0.00 0.00 0.00 179.25 179.36 1u89 h GLN 831 N 0.75 0.31 -0.04 0.00 5.75 -1.30 -2.28 115.11 118.29 1u89 h GLN 831 Ca 0.32 -0.11 -0.00 0.00 -0.15 0.00 0.00 58.65 58.71 1u89 h GLN 831 Cb 0.19 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.72 1u89 h GLN 831 CO -0.18 0.56 0.02 0.00 -2.65 0.00 0.00 178.83 176.58 1u89 h ALA 832 N 0.73 0.05 -0.59 3.38 0.00 -0.53 -2.50 119.26 119.81 1u89 h ALA 832 Ca 0.04 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1u89 h ALA 832 Cb 0.44 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1u89 h ALA 832 CO 0.01 -0.37 -0.03 1.15 0.00 0.00 0.00 179.25 180.01 1u89 h THR 833 N -0.08 1.27 -0.50 0.00 2.02 -1.12 -1.80 112.91 112.70 1u89 h THR 833 Ca 0.01 -1.19 -0.02 0.00 0.77 0.00 0.00 66.41 65.98 1u89 h THR 833 Cb 0.15 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1u89 h THR 833 CO -0.00 0.43 0.21 0.28 0.37 0.00 0.00 175.52 176.81 1u89 h SER 834 N 0.95 0.63 -0.34 4.18 0.02 -1.35 0.20 113.55 117.86 1u89 h SER 834 Ca 0.16 -0.07 -0.14 0.00 -0.84 0.00 0.00 61.79 60.91 1u89 h SER 834 Cb 0.60 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1u89 h SER 834 CO 0.04 0.56 -0.32 -0.78 -1.14 0.00 0.00 176.83 175.19 1u89 h ASP 835 N 0.70 0.86 0.18 3.07 1.82 -1.20 -1.39 116.42 120.47 1u89 h ASP 835 Ca 0.17 -0.47 -0.01 0.00 -0.39 0.00 0.00 57.03 56.34 1u89 h ASP 835 Cb 0.12 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 39.89 1u89 h ASP 835 CO -0.02 1.15 -0.09 0.25 -1.61 0.00 0.00 179.24 178.93 1u89 h LEU 836 N 0.59 -0.21 -0.72 2.28 5.85 -0.52 -1.49 115.31 121.10 1u89 h LEU 836 Ca 0.05 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1u89 h LEU 836 Cb 0.90 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.95 1u89 h LEU 836 CO 0.08 -0.11 0.47 0.58 -0.34 0.00 0.00 178.44 179.12 1u89 h VAL 837 N -0.28 1.16 -0.77 1.05 2.07 -0.63 -1.62 116.25 117.24 1u89 h VAL 837 Ca -0.02 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1u89 h VAL 837 Cb 0.22 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.08 1u89 h VAL 837 CO 0.04 0.17 0.40 -1.13 0.02 0.00 0.00 177.57 177.08 1u89 h ASN 838 N 0.95 0.96 -0.45 0.57 -1.24 -1.12 -0.09 115.58 115.15 1u89 h ASN 838 Ca 0.27 -0.09 -0.04 0.00 0.71 0.00 0.00 56.30 57.15 1u89 h ASN 838 Cb -0.07 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 38.71 1u89 h ASN 838 CO -0.07 0.79 0.13 0.00 -1.29 0.00 0.00 177.43 176.98 1u89 h ALA 839 N 1.37 0.59 -0.71 1.57 0.00 -0.54 -2.61 119.26 118.92 1u89 h ALA 839 Ca 0.27 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1u89 h ALA 839 Cb 0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1u89 h ALA 839 CO -0.04 0.26 0.31 0.82 0.00 0.00 0.00 179.25 180.59 1u89 h ILE 840 N 0.60 1.24 -1.00 0.00 2.04 -0.82 -0.94 117.51 118.63 1u89 h ILE 840 Ca 0.14 -0.71 0.08 0.00 1.00 0.00 0.00 64.86 65.37 1u89 h ILE 840 Cb 0.29 0.36 -0.07 0.00 -0.74 0.00 0.00 36.82 36.66 1u89 h ILE 840 CO -0.00 0.29 0.64 0.50 0.00 0.00 0.00 178.15 179.58 1u89 h LYS 841 N 1.02 1.10 0.01 2.37 3.64 -0.69 0.97 116.57 124.99 1u89 h LYS 841 Ca 0.24 -0.07 -0.26 0.00 -1.27 0.00 0.00 60.65 59.30 1u89 h LYS 841 Cb 0.16 -0.25 0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1u89 h LYS 841 CO -0.03 0.73 -1.01 0.00 -2.27 0.00 0.00 179.45 176.87 1u89 h ALA 842 N 1.48 0.11 -0.22 5.00 0.00 -1.09 -3.19 119.26 121.35 1u89 h ALA 842 Ca 0.44 -0.69 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1u89 h ALA 842 Cb 0.24 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1u89 h ALA 842 CO -0.19 0.64 0.07 0.22 0.00 0.00 0.00 179.25 180.00 1u89 h ASP 843 N 0.33 0.08 0.40 0.00 1.82 -0.56 -2.21 116.42 116.27 1u89 h ASP 843 Ca -0.13 0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.53 1u89 h ASP 843 Cb 1.67 0.01 -0.00 0.00 0.68 0.00 0.00 39.33 41.69 1u89 h ASP 843 CO 0.20 0.08 -0.02 0.00 -1.61 0.00 0.00 179.24 177.88 1u89 h ALA 844 N 1.14 1.08 -0.21 -0.78 0.00 -0.92 -2.11 119.26 117.46 1u89 h ALA 844 Ca 0.10 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1u89 h ALA 844 Cb 0.07 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1u89 h ALA 844 CO -0.10 0.03 -0.37 0.93 0.00 0.00 0.00 179.25 179.74 1u89 h GLU 845 N 0.00 0.46 -0.61 0.00 5.08 -1.38 -3.23 114.58 114.89 1u89 h GLU 845 Ca -0.00 -0.21 -0.45 0.00 -1.00 0.00 0.00 59.36 57.70 1u89 h GLU 845 Cb 0.23 -0.01 -0.35 0.00 0.50 0.00 0.00 28.75 29.12 1u89 h GLU 845 CO 0.00 0.76 -0.76 0.41 -1.00 0.00 0.00 179.01 178.42 1u89 n GLY 846 N -0.15 6.17 3.86 -3.84 0.00 -0.82 -5.04 105.19 105.37 1u89 n GLY 846 Ca -0.01 -2.42 -0.32 0.00 0.00 0.00 0.00 46.02 43.27 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 -3.53 3.94 0.30 1.61 -6.30 -1.07 -4.81 118.70 108.83 1u89 s GLU 847 Ca 0.49 0.62 0.20 0.00 -2.50 0.00 0.00 54.97 53.78 1u89 s GLU 847 Cb 0.40 -2.41 0.13 0.00 0.00 0.00 0.00 34.13 32.26 1u89 s GLU 847 CO 0.02 0.09 1.35 0.77 0.02 0.00 0.00 175.26 177.50 1u89 h SER 848 N 1.92 0.00 -3.50 -1.70 0.02 -1.93 -3.41 113.55 104.95 1u89 h SER 848 Ca -0.48 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 59.77 1u89 h SER 848 Cb 1.18 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 63.40 1u89 h SER 848 CO 0.65 0.20 -0.53 -0.62 -1.14 0.00 0.00 176.83 175.39 1u89 s ASP 849 N -6.04 5.36 0.07 3.07 -1.08 -1.26 -4.95 116.67 111.84 1u89 s ASP 849 Ca 0.03 -1.73 0.21 0.00 -0.52 0.00 0.00 52.55 50.54 1u89 s ASP 849 Cb 0.07 -1.88 0.87 0.00 -1.46 0.00 0.00 42.92 40.52 1u89 s ASP 849 CO 0.73 -0.51 1.67 0.18 0.52 0.00 0.00 175.17 177.76 1u89 n LEU 850 N 4.73 0.21 -0.01 -1.34 4.77 -1.26 -1.04 117.00 123.06 1u89 n LEU 850 Ca -0.07 0.54 -0.17 0.00 -0.03 0.00 0.00 56.01 56.28 1u89 n LEU 850 Cb 0.42 -0.49 -0.13 0.00 -2.33 0.00 0.00 43.42 40.89 1u89 n LEU 850 CO 0.35 -0.24 0.27 -0.08 -1.33 0.00 0.00 177.39 176.36 1u89 h GLU 851 N 0.00 0.17 -0.87 3.23 4.57 -1.97 -3.11 114.58 116.60 1u89 h GLU 851 Ca 0.00 -0.25 0.01 0.00 -1.18 0.00 0.00 59.36 57.94 1u89 h GLU 851 Cb 0.39 0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.02 1u89 h GLU 851 CO 0.00 1.06 0.57 -0.97 -1.18 0.00 0.00 179.01 178.50 1u89 h ASN 852 N -0.60 0.99 -0.88 1.04 -1.24 -1.78 -0.60 115.58 112.51 1u89 h ASN 852 Ca -0.06 -0.03 -0.02 0.00 0.71 0.00 0.00 56.30 56.90 1u89 h ASN 852 Cb 1.23 -0.25 -0.04 0.00 0.73 0.00 0.00 38.32 40.00 1u89 h ASN 852 CO 0.07 0.72 0.46 0.77 -1.29 0.00 0.00 177.43 178.16 1u89 h SER 853 N 1.17 1.11 -0.29 1.15 4.64 -1.22 0.38 113.55 120.49 1u89 h SER 853 Ca 0.32 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 1u89 h SER 853 Cb -0.13 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.66 1u89 h SER 853 CO -0.07 0.90 0.13 0.03 -0.87 0.00 0.00 176.83 176.95 1u89 h ARG 854 N 1.23 0.43 -0.70 4.77 -0.00 -1.29 -1.89 114.38 116.94 1u89 h ARG 854 Ca 0.31 -0.07 0.07 0.00 -0.50 0.00 0.00 59.98 59.79 1u89 h ARG 854 Cb 0.05 -0.07 -0.06 0.00 0.00 0.00 0.00 29.97 29.89 1u89 h ARG 854 CO -0.05 0.42 0.38 0.87 0.00 0.00 0.00 179.97 181.59 1u89 h LYS 855 N 0.33 0.65 -0.39 0.04 1.79 -0.52 -1.67 116.57 116.79 1u89 h LYS 855 Ca 0.10 -0.04 0.08 0.00 -2.18 0.00 0.00 60.65 58.61 1u89 h LYS 855 Cb 0.15 -0.15 -0.07 0.00 -1.58 0.00 0.00 32.23 30.58 1u89 h LYS 855 CO -0.01 0.43 -0.08 -0.07 -1.08 0.00 0.00 179.45 178.64 1u89 h LEU 856 N 0.67 -0.32 -0.58 2.94 3.38 0.32 0.20 115.31 121.92 1u89 h LEU 856 Ca 0.32 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.36 1u89 h LEU 856 Cb 0.25 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1u89 h LEU 856 CO -0.21 -0.11 -0.21 -0.07 0.09 0.00 0.00 178.44 177.93 1u89 h LEU 857 N 0.02 0.00 -0.09 1.67 3.38 -1.03 0.16 115.31 119.42 1u89 h LEU 857 Ca 0.19 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 1u89 h LEU 857 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1u89 h LEU 857 CO -0.39 0.21 -0.24 0.28 0.09 0.00 0.00 178.44 178.39 1u89 h SER 858 N 0.00 0.37 -0.56 -0.43 0.02 -0.29 -2.01 113.55 110.65 1u89 h SER 858 Ca -0.00 -0.59 -0.11 0.00 -0.84 0.00 0.00 61.79 60.25 1u89 h SER 858 Cb 0.95 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.36 1u89 h SER 858 CO 0.03 0.89 -0.06 0.00 -1.14 0.00 0.00 176.83 176.55 1u89 h ALA 859 N 0.49 0.81 -0.26 3.77 0.00 -0.46 -2.49 119.26 121.12 1u89 h ALA 859 Ca -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1u89 h ALA 859 Cb 0.85 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1u89 h ALA 859 CO 0.05 0.67 0.10 0.00 0.00 0.00 0.00 179.25 180.07 1u89 h ALA 860 N 0.98 1.69 -0.01 0.00 0.00 -0.72 -0.83 119.26 120.36 1u89 h ALA 860 Ca 0.15 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1u89 h ALA 860 Cb 0.63 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1u89 h ALA 860 CO 0.04 0.25 0.01 -0.22 0.00 0.00 0.00 179.25 179.32 1u89 h LYS 861 N 0.36 0.01 -0.98 0.00 3.64 -0.92 -2.24 116.57 116.45 1u89 h LYS 861 Ca 0.09 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1u89 h LYS 861 Cb 0.08 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 1u89 h LYS 861 CO -0.01 0.11 0.64 0.82 -2.27 0.00 0.00 179.45 178.75 1u89 h ILE 862 N -0.09 1.19 0.14 2.00 2.04 -1.10 0.35 117.51 122.04 1u89 h ILE 862 Ca 0.00 -0.43 0.02 0.00 1.00 0.00 0.00 64.86 65.45 1u89 h ILE 862 Cb 0.10 -0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 35.96 1u89 h ILE 862 CO -0.00 0.23 -0.39 -0.07 0.00 0.00 0.00 178.15 177.92 1u89 h LEU 863 N 1.26 -1.15 -0.40 1.44 -0.00 -0.90 0.17 115.31 115.73 1u89 h LEU 863 Ca 0.38 0.13 -0.18 0.00 -0.00 0.00 0.00 57.88 58.22 1u89 h LEU 863 Cb -0.03 0.43 -0.00 0.00 -0.00 0.00 0.00 40.66 41.06 1u89 h LEU 863 CO -0.11 -0.47 -0.56 0.00 -0.00 0.00 0.00 178.44 177.29 1u89 h ALA 864 N -0.12 0.58 -0.42 1.53 0.00 -1.07 -2.27 119.26 117.49 1u89 h ALA 864 Ca 0.02 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1u89 h ALA 864 Cb 0.66 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1u89 h ALA 864 CO -0.22 0.69 0.23 0.22 0.00 0.00 0.00 179.25 180.16 1u89 h ASP 865 N 0.54 0.53 0.30 0.00 3.58 -0.10 -0.38 116.42 120.90 1u89 h ASP 865 Ca 0.01 -0.10 -0.12 0.00 0.42 0.00 0.00 57.03 57.24 1u89 h ASP 865 Cb 1.14 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.04 1u89 h ASP 865 CO 0.11 0.48 -0.49 0.00 -2.88 0.00 0.00 179.24 176.46 1u89 h ALA 866 N 1.08 1.02 -0.68 -0.78 0.00 -0.68 -2.26 119.26 116.96 1u89 h ALA 866 Ca 0.15 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1u89 h ALA 866 Cb 0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1u89 h ALA 866 CO -0.02 0.64 0.11 1.15 0.00 0.00 0.00 179.25 181.13 1u89 h THR 867 N 0.18 1.26 -0.77 0.00 2.02 -0.86 0.32 112.91 115.06 1u89 h THR 867 Ca 0.01 -1.04 -0.05 0.00 0.77 0.00 0.00 66.41 66.09 1u89 h THR 867 Cb 0.92 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 1u89 h THR 867 CO 0.07 0.39 0.27 0.00 0.37 0.00 0.00 175.52 176.62 1u89 h ALA 868 N 1.06 1.03 -0.18 6.16 0.00 -0.88 0.72 119.26 127.18 1u89 h ALA 868 Ca 0.21 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1u89 h ALA 868 Cb 0.44 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1u89 h ALA 868 CO 0.01 0.67 -0.34 0.87 0.00 0.00 0.00 179.25 180.45 1u89 h LYS 869 N 1.13 0.37 -0.05 0.00 1.79 -0.94 0.95 116.57 119.80 1u89 h LYS 869 Ca 0.25 -0.16 -0.01 0.00 -2.18 0.00 0.00 60.65 58.55 1u89 h LYS 869 Cb 0.27 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1u89 h LYS 869 CO -0.01 0.67 -0.02 1.98 -1.08 0.00 0.00 179.45 180.99 1u89 h MET 870 N 0.31 0.10 -0.11 3.15 4.05 0.19 0.25 114.93 122.88 1u89 h MET 870 Ca 0.04 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 1u89 h MET 870 Cb 0.76 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.55 1u89 h MET 870 CO 0.06 0.45 -0.10 -0.24 0.23 0.00 0.00 176.91 177.31 1u89 h VAL 871 N -0.25 1.14 -0.05 -5.77 3.04 -0.79 1.00 116.25 114.56 1u89 h VAL 871 Ca 0.01 -0.60 -0.01 0.00 -1.01 0.00 0.00 66.70 65.09 1u89 h VAL 871 Cb 0.42 1.17 -0.00 0.00 -2.01 0.00 0.00 31.29 30.86 1u89 h VAL 871 CO 0.01 0.19 -0.00 -0.08 -1.01 0.00 0.00 177.57 176.67 1u89 h GLU 872 N 0.16 0.08 -0.28 4.17 4.81 -0.53 -2.59 114.58 120.40 1u89 h GLU 872 Ca 0.04 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 1u89 h GLU 872 Cb 0.28 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1u89 h GLU 872 CO 0.02 0.38 -0.24 0.00 -0.73 0.00 0.00 179.01 178.44 1u89 h ALA 873 N 0.70 0.41 -0.70 2.92 0.00 -0.12 -0.22 119.26 122.25 1u89 h ALA 873 Ca 0.01 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1u89 h ALA 873 Cb 0.35 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1u89 h ALA 873 CO 0.00 0.38 0.44 0.00 0.00 0.00 0.00 179.25 180.08 1u89 h ALA 874 N 0.71 1.46 0.06 0.00 0.00 -0.87 0.11 119.26 120.74 1u89 h ALA 874 Ca 0.05 -0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 1u89 h ALA 874 Cb 0.79 -0.28 0.02 0.00 0.00 0.00 0.00 17.79 18.32 1u89 h ALA 874 CO 0.06 0.48 -0.97 0.87 0.00 0.00 0.00 179.25 179.69 1u89 h LYS 875 N 0.96 0.55 -0.30 0.00 1.57 -1.39 -3.19 116.57 114.76 1u89 h LYS 875 Ca 0.25 -0.67 -0.09 0.00 -1.87 0.00 0.00 60.65 58.27 1u89 h LYS 875 Cb -0.08 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1u89 h LYS 875 CO -0.05 1.28 -0.21 0.78 -0.57 0.00 0.00 179.45 180.67 1u89 h GLY 876 N 0.12 0.60 -3.70 3.86 0.00 -0.54 -2.89 103.07 100.51 1u89 h GLY 876 Ca -0.14 -0.48 -0.43 0.00 0.00 0.00 0.00 47.33 46.29 1u89 h GLY 876 CO 0.19 0.44 0.50 0.00 0.00 0.00 0.00 176.54 177.67 1u89 n ALA 877 N -2.49 5.27 -1.18 3.60 0.00 0.34 -4.68 120.51 121.37 1u89 n ALA 877 Ca 0.00 -2.83 -0.18 0.00 0.00 0.00 0.00 53.44 50.43 1u89 n ALA 877 Cb 0.39 -1.33 -0.12 0.00 0.00 0.00 0.00 19.45 18.39 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 -0.98 6.35 -0.83 0.00 0.00 -1.09 -4.81 120.51 119.15 1u89 n ALA 878 Ca 0.53 -2.27 0.00 0.00 0.00 0.00 0.00 53.44 51.71 1u89 n ALA 878 Cb 1.55 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1u89 n ALA 878 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u89 n ALA 879 N 1.83 0.00 -3.82 0.00 0.00 -1.26 -3.83 120.51 113.42 1u89 n ALA 879 Ca 0.44 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.54 1u89 n ALA 879 Cb 0.77 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.08 1u89 n ALA 879 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1u89 s HIS 880 N 0.00 3.47 -0.09 0.00 0.09 -1.26 -5.01 115.29 112.48 1u89 s HIS 880 Ca 0.00 -2.34 -0.05 0.00 -0.00 0.00 0.00 55.06 52.67 1u89 s HIS 880 Cb 0.00 -2.57 -0.22 0.00 -0.00 0.00 0.00 32.58 29.79 1u89 s HIS 880 CO 0.00 -0.89 3.19 -0.35 -0.00 0.00 0.00 174.74 176.69 1u89 n PRO 881 N 4.50 1.83 -3.00 8.40 -0.04 -1.25 -4.73 135.00 140.72 1u89 n PRO 881 Ca -0.06 -0.94 -0.44 0.00 -0.04 0.00 0.00 63.50 62.01 1u89 n PRO 881 Cb 0.42 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 1u89 n PRO 881 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1u89 n ASP 882 N 2.64 5.27 -0.00 3.54 2.03 -1.26 -4.60 116.55 124.16 1u89 n ASP 882 Ca 0.39 -2.99 0.05 0.00 0.52 0.00 0.00 54.79 52.76 1u89 n ASP 882 Cb 0.76 -1.54 -0.06 0.00 -0.72 0.00 0.00 41.12 39.55 1u89 n ASP 882 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1u89 n SER 883 N 5.21 2.06 -2.37 1.67 3.41 -1.26 -4.67 113.62 117.67 1u89 n SER 883 Ca 0.35 -0.24 -0.18 0.00 -0.26 0.00 0.00 58.87 58.54 1u89 n SER 883 Cb 0.42 1.28 0.02 0.00 -0.26 0.00 0.00 64.21 65.67 1u89 n SER 883 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1u89 n GLU 884 N -1.62 2.92 -3.34 4.33 4.71 -1.26 -4.97 120.64 121.41 1u89 n GLU 884 Ca -0.01 -4.02 -0.12 0.00 -0.01 0.00 0.00 57.16 53.00 1u89 n GLU 884 Cb 0.21 -2.02 0.01 0.00 -1.01 0.00 0.00 31.44 28.63 1u89 n GLU 884 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1u89 n GLU 885 N -0.56 -1.45 -1.64 3.49 4.71 -1.26 -4.81 120.64 119.12 1u89 n GLU 885 Ca 0.32 1.10 -0.41 0.00 -0.01 0.00 0.00 57.16 58.16 1u89 n GLU 885 Cb 0.84 -4.71 -0.01 0.00 -1.01 0.00 0.00 31.44 26.55 1u89 n GLU 885 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1u89 n GLN 886 N -2.49 3.10 -3.25 3.49 1.13 -1.26 -4.54 117.38 113.57 1u89 n GLN 886 Ca -0.10 -2.53 -0.07 0.00 -1.94 0.00 0.00 57.00 52.37 1u89 n GLN 886 Cb 0.57 -3.15 0.01 0.00 0.11 0.00 0.00 30.24 27.77 1u89 n GLN 886 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1u89 n GLN 887 N 5.38 -1.41 -2.72 -1.09 1.13 -1.26 -4.96 117.38 112.45 1u89 n GLN 887 Ca 0.59 1.27 -0.37 0.00 -1.94 0.00 0.00 57.00 56.55 1u89 n GLN 887 Cb 0.35 -4.99 -0.06 0.00 0.11 0.00 0.00 30.24 25.65 1u89 n GLN 887 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1u89 s GLN 888 N -3.59 4.51 0.00 -1.09 -0.21 -1.26 -5.23 119.66 112.79 1u89 s GLN 888 Ca 0.04 1.39 0.00 0.00 0.02 0.00 0.00 55.36 56.81 1u89 s GLN 888 Cb -0.01 -2.78 0.00 0.00 1.00 0.00 0.00 33.01 31.22 1u89 s GLN 888 CO 0.78 0.20 0.34 -2.13 -2.12 0.00 0.00 175.29 172.37