#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u89 n SER 752 N 0.00 -5.13 0.00 1.61 7.64 -1.26 -4.82 113.62 111.67 1u89 n SER 752 Ca 0.00 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1u89 n SER 752 Cb 0.00 -4.26 0.00 0.00 -1.01 0.00 0.00 64.21 58.94 1u89 n SER 752 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1u89 n HIS 753 N -3.91 0.00 -4.49 1.43 -0.00 -1.26 -5.02 115.22 101.97 1u89 n HIS 753 Ca -0.17 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.80 1u89 n HIS 753 Cb 0.64 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 30.37 1u89 n HIS 753 CO 0.00 0.00 0.00 1.41 0.46 0.00 0.00 176.34 178.21 1u89 s MET 754 N -0.54 1.09 0.29 1.57 -2.45 -1.26 -5.02 119.30 112.98 1u89 s MET 754 Ca 0.00 -0.75 0.24 0.00 -1.25 0.00 0.00 55.69 53.93 1u89 s MET 754 Cb 0.00 -1.11 0.44 0.00 1.25 0.00 0.00 34.83 35.41 1u89 s MET 754 CO 0.00 0.28 1.54 -0.56 1.05 0.00 0.00 175.02 177.33 1u89 h GLN 755 N 5.10 0.00 -6.02 4.11 -0.00 -1.95 -3.46 115.11 112.89 1u89 h GLN 755 Ca -0.38 0.00 -0.39 0.00 -0.00 0.00 0.00 58.65 57.87 1u89 h GLN 755 Cb 1.17 0.00 0.09 0.00 -0.00 0.00 0.00 27.48 28.74 1u89 h GLN 755 CO 0.45 0.00 -0.86 0.00 -0.00 0.00 0.00 178.83 178.42 1u89 n ALA 756 N -1.98 -2.22 -0.93 0.06 0.00 -1.26 -1.55 120.51 112.63 1u89 n ALA 756 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1u89 n ALA 756 Cb 0.49 -3.10 0.00 0.00 0.00 0.00 0.00 19.45 16.84 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 -4.08 0.00 -1.63 0.00 0.00 -1.26 -1.14 120.51 112.39 1u89 n ALA 757 Ca -0.21 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.29 1u89 n ALA 757 Cb 0.65 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.28 1u89 n ALA 757 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1u89 n THR 758 N 0.00 1.91 0.07 0.00 -1.04 -1.26 -4.66 114.28 109.30 1u89 n THR 758 Ca 0.00 -2.85 -0.02 0.00 -2.04 0.00 0.00 64.05 59.14 1u89 n THR 758 Cb 0.00 -0.10 -0.06 0.00 -1.82 0.00 0.00 70.33 68.35 1u89 n THR 758 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1u89 h GLU 759 N 0.86 0.00 0.00 -2.82 4.39 -1.07 -3.50 114.58 112.44 1u89 h GLU 759 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1u89 h GLU 759 Cb 1.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1u89 h GLU 759 CO 0.01 0.61 0.00 -3.47 -1.16 0.00 0.00 179.01 175.00 1u89 n ASP 760 N -3.17 -3.06 0.00 1.42 -0.08 -0.60 -4.64 116.55 106.43 1u89 n ASP 760 Ca -0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.25 1u89 n ASP 760 Cb 0.86 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.32 1u89 n ASP 760 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1u89 n GLY 761 N 0.00 1.39 0.00 0.27 0.00 -1.26 -4.81 105.19 100.78 1u89 n GLY 761 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.37 0.00 0.20 1.61 0.00 -1.26 -4.91 117.38 112.65 1u89 n GLN 762 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 57.00 56.85 1u89 n GLN 762 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.16 1u89 n GLN 762 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1u89 h LEU 763 N 0.00 -0.39 -0.62 2.61 -0.00 -1.96 -1.76 115.31 113.19 1u89 h LEU 763 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1u89 h LEU 763 Cb 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 1u89 h LEU 763 CO 0.00 -0.19 0.00 0.25 -0.00 0.00 0.00 178.44 178.50 1u89 h LEU 764 N -0.57 0.00 0.07 1.67 6.46 -1.95 -1.37 115.31 119.63 1u89 h LEU 764 Ca -0.05 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.71 1u89 h LEU 764 Cb 0.42 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.35 1u89 h LEU 764 CO 0.08 0.00 -0.03 -0.09 -0.62 0.00 0.00 178.44 177.77 1u89 h ARG 765 N 0.00 -0.09 0.00 1.25 2.43 -1.76 -2.79 114.38 113.42 1u89 h ARG 765 Ca 0.00 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1u89 h ARG 765 Cb 0.72 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1u89 h ARG 765 CO 0.00 0.40 -0.33 0.78 -1.51 0.00 0.00 179.97 179.31 1u89 h GLY 766 N -0.65 0.00 1.16 2.80 0.00 -1.34 -3.34 103.07 101.70 1u89 h GLY 766 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 1u89 h GLY 766 CO 0.02 0.00 -0.20 -2.08 0.00 0.00 0.00 176.54 174.28 1u89 h VAL 767 N -1.00 1.27 -0.18 4.60 2.07 -1.45 -2.15 116.25 119.41 1u89 h VAL 767 Ca -0.01 -1.35 0.03 0.00 0.82 0.00 0.00 66.70 66.19 1u89 h VAL 767 Cb 0.35 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1u89 h VAL 767 CO -0.01 0.47 -0.01 1.23 0.02 0.00 0.00 177.57 179.27 1u89 h GLY 768 N 0.91 0.15 0.90 2.17 0.00 -1.37 0.38 103.07 106.21 1u89 h GLY 768 Ca 0.11 0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 1u89 h GLY 768 CO 0.06 -0.04 0.02 0.00 0.00 0.00 0.00 176.54 176.58 1u89 h ALA 769 N 1.16 0.44 -0.62 3.60 0.00 -1.57 -1.92 119.26 120.35 1u89 h ALA 769 Ca 0.08 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1u89 h ALA 769 Cb 0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1u89 h ALA 769 CO -0.15 0.18 0.27 0.00 0.00 0.00 0.00 179.25 179.55 1u89 h ALA 770 N 0.87 0.80 -0.34 0.00 0.00 -1.07 -2.31 119.26 117.21 1u89 h ALA 770 Ca 0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1u89 h ALA 770 Cb 0.41 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1u89 h ALA 770 CO 0.01 0.39 0.07 0.00 0.00 0.00 0.00 179.25 179.72 1u89 h ALA 771 N 1.11 0.45 -0.49 0.00 0.00 -0.20 -2.87 119.26 117.25 1u89 h ALA 771 Ca 0.21 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1u89 h ALA 771 Cb 0.16 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1u89 h ALA 771 CO -0.02 0.13 0.33 1.15 0.00 0.00 0.00 179.25 180.84 1u89 h THR 772 N 0.39 1.10 -0.95 0.00 2.02 -1.17 -0.96 112.91 113.35 1u89 h THR 772 Ca 0.10 -0.22 0.05 0.00 0.77 0.00 0.00 66.41 67.11 1u89 h THR 772 Cb 0.33 0.42 -0.06 0.00 -1.74 0.00 0.00 68.15 67.09 1u89 h THR 772 CO 0.00 0.12 0.62 0.00 0.37 0.00 0.00 175.52 176.63 1u89 h ALA 773 N 1.70 1.29 -0.17 6.16 0.00 -1.19 0.29 119.26 127.34 1u89 h ALA 773 Ca 0.19 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1u89 h ALA 773 Cb -0.02 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 1u89 h ALA 773 CO -0.04 0.46 -0.17 0.28 0.00 0.00 0.00 179.25 179.77 1u89 h VAL 774 N 1.17 1.34 -0.84 0.00 2.07 -1.17 -0.78 116.25 118.03 1u89 h VAL 774 Ca 0.39 -1.33 0.06 0.00 0.82 0.00 0.00 66.70 66.64 1u89 h VAL 774 Cb 0.07 1.82 -0.06 0.00 -1.52 0.00 0.00 31.29 31.60 1u89 h VAL 774 CO -0.14 0.40 0.52 0.74 0.02 0.00 0.00 177.57 179.11 1u89 h THR 775 N 0.07 1.05 -0.17 2.57 2.02 -0.73 0.20 112.91 117.92 1u89 h THR 775 Ca 0.03 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 1u89 h THR 775 Cb 0.71 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1u89 h THR 775 CO 0.04 0.18 -0.06 1.56 0.37 0.00 0.00 175.52 177.61 1u89 h GLN 776 N 0.97 0.35 -0.75 6.66 1.08 -0.37 -1.11 115.11 121.93 1u89 h GLN 776 Ca 0.36 -0.14 -0.04 0.00 -1.45 0.00 0.00 58.65 57.38 1u89 h GLN 776 Cb 0.14 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.52 1u89 h GLN 776 CO -0.16 0.63 0.32 0.00 -0.95 0.00 0.00 178.83 178.66 1u89 h ALA 777 N 0.70 0.97 -0.34 3.87 0.00 -0.74 -0.91 119.26 122.82 1u89 h ALA 777 Ca 0.04 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1u89 h ALA 777 Cb 0.51 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1u89 h ALA 777 CO 0.02 0.58 -0.04 1.25 0.00 0.00 0.00 179.25 181.06 1u89 h LEU 778 N 1.08 0.62 -0.92 0.00 5.85 -0.58 0.57 115.31 121.93 1u89 h LEU 778 Ca 0.25 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.65 1u89 h LEU 778 Cb 0.19 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 1u89 h LEU 778 CO -0.02 0.81 0.61 0.78 -0.34 0.00 0.00 178.44 180.28 1u89 h ASN 779 N 0.42 1.05 0.58 1.25 2.35 -1.01 0.26 115.58 120.49 1u89 h ASN 779 Ca 0.09 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 1u89 h ASN 779 Cb 0.52 -0.26 0.01 0.00 0.05 0.00 0.00 38.32 38.63 1u89 h ASN 779 CO 0.03 0.76 -0.28 -0.08 -1.65 0.00 0.00 177.43 176.21 1u89 h GLU 780 N 1.24 -0.75 -0.66 0.81 4.57 -0.92 -2.65 114.58 116.22 1u89 h GLU 780 Ca 0.34 0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.56 1u89 h GLU 780 Cb -0.13 0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 1u89 h GLU 780 CO -0.08 -0.49 0.35 1.25 -1.18 0.00 0.00 179.01 178.86 1u89 h LEU 781 N -0.82 0.84 0.16 1.64 5.85 -0.56 -0.81 115.31 121.61 1u89 h LEU 781 Ca -0.08 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.54 1u89 h LEU 781 Cb 0.61 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1u89 h LEU 781 CO 0.13 0.71 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.71 1u89 h LEU 782 N 0.91 -0.43 -1.39 2.25 3.38 -0.50 0.37 115.31 119.89 1u89 h LEU 782 Ca 0.23 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 1u89 h LEU 782 Cb 0.07 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1u89 h LEU 782 CO -0.03 -0.25 -0.30 0.06 0.09 0.00 0.00 178.44 178.01 1u89 h GLN 783 N -0.35 0.00 0.08 1.13 3.07 -1.37 -0.85 115.11 116.82 1u89 h GLN 783 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.74 1u89 h GLN 783 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.90 1u89 h GLN 783 CO -0.05 0.30 -0.04 1.25 0.09 0.00 0.00 178.83 180.39 1u89 h HIS 784 N 0.00 -0.10 0.00 0.06 2.76 -0.34 -3.20 115.15 114.33 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 0.57 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.56 1u89 h HIS 784 CO 0.00 0.33 -0.23 0.28 -1.30 0.00 0.00 177.93 177.01 1u89 h VAL 785 N -0.57 0.62 0.00 5.26 2.07 -0.14 -2.27 116.25 121.22 1u89 h VAL 785 Ca -0.01 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1u89 h VAL 785 Cb 0.48 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1u89 h VAL 785 CO 0.02 0.23 0.00 0.29 0.02 0.00 0.00 177.57 178.13 1u89 n LYS 786 N -3.48 0.22 -0.01 1.57 4.01 -0.34 -1.67 118.16 118.45 1u89 n LYS 786 Ca -0.00 0.09 0.05 0.00 -0.51 0.00 0.00 58.31 57.94 1u89 n LYS 786 Cb 0.40 -1.50 0.05 0.00 -0.51 0.00 0.00 35.03 33.47 1u89 n LYS 786 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1u89 n ALA 787 N -1.13 2.46 -3.66 7.82 0.00 -0.85 -4.79 120.51 120.35 1u89 n ALA 787 Ca 0.06 -0.63 -0.08 0.00 0.00 0.00 0.00 53.44 52.79 1u89 n ALA 787 Cb 0.05 -0.37 -0.02 0.00 0.00 0.00 0.00 19.45 19.12 1u89 n ALA 787 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1u89 s HIS 788 N -0.90 -0.31 0.00 0.00 -3.43 -0.67 -5.00 115.29 104.98 1u89 s HIS 788 Ca 0.13 -0.01 0.00 0.00 -0.80 0.00 0.00 55.06 54.39 1u89 s HIS 788 Cb 0.09 0.63 0.00 0.00 -1.43 0.00 0.00 32.58 31.87 1u89 s HIS 788 CO 0.14 -0.95 0.00 0.00 -2.00 0.00 0.00 174.74 171.93 1u89 n ALA 789 N -0.41 0.00 -4.01 -1.38 0.00 -1.26 -4.57 120.51 108.87 1u89 n ALA 789 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.08 1u89 n ALA 789 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.04 1u89 n ALA 789 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1u89 n THR 790 N 0.00 -2.65 0.00 0.00 -1.04 -1.26 -3.37 114.28 105.95 1u89 n THR 790 Ca 0.00 -0.45 0.00 0.00 -2.04 0.00 0.00 64.05 61.56 1u89 n THR 790 Cb 0.00 -2.40 0.00 0.00 -1.82 0.00 0.00 70.33 66.11 1u89 n THR 790 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1u89 n GLY 791 N -1.99 1.41 2.69 3.41 0.00 -1.26 -4.72 105.19 104.72 1u89 n GLY 791 Ca -0.27 -0.94 -0.08 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.74 2.05 -2.49 4.61 0.00 -1.25 -4.76 120.51 117.93 1u89 n ALA 792 Ca 0.00 -1.97 -0.27 0.00 0.00 0.00 0.00 53.44 51.19 1u89 n ALA 792 Cb 0.00 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.43 1u89 n ALA 792 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1u89 s GLY 793 N -1.92 2.53 -0.31 0.00 0.00 -1.22 -4.98 107.32 101.42 1u89 s GLY 793 Ca 0.24 -1.25 -0.27 0.00 0.00 0.00 0.00 44.72 43.43 1u89 s GLY 793 CO -0.04 -1.99 1.32 -1.05 0.00 0.00 0.00 173.10 171.33 1u89 n PRO 794 N -1.50 0.00 -1.02 2.90 -0.01 -1.26 -4.27 135.00 129.84 1u89 n PRO 794 Ca -0.06 0.00 -0.26 0.00 -0.01 0.00 0.00 63.50 63.17 1u89 n PRO 794 Cb 0.65 -0.93 -0.06 0.00 -0.01 0.00 0.00 33.50 33.15 1u89 n PRO 794 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1u89 n ALA 795 N 4.60 6.23 -3.48 3.55 0.00 -1.26 -4.68 120.51 125.47 1u89 n ALA 795 Ca 0.34 -2.52 -0.36 0.00 0.00 0.00 0.00 53.44 50.89 1u89 n ALA 795 Cb -0.03 -2.95 -0.05 0.00 0.00 0.00 0.00 19.45 16.42 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 3.31 4.42 0.00 0.00 0.00 -1.26 -4.71 105.19 106.95 1u89 n GLY 796 Ca 0.57 -2.64 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 1.89 0.00 -2.55 1.61 3.00 -1.26 -4.87 116.66 114.47 1u89 n ARG 797 Ca 0.24 0.01 -0.19 0.00 -0.01 0.00 0.00 57.85 57.90 1u89 n ARG 797 Cb 0.37 -0.18 0.01 0.00 0.00 0.00 0.00 32.46 32.66 1u89 n ARG 797 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1u89 n TYR 798 N -1.78 2.42 -0.10 -1.55 4.01 -1.26 -4.83 117.16 114.06 1u89 n TYR 798 Ca 0.00 -2.95 -0.11 0.00 -0.16 0.00 0.00 57.90 54.68 1u89 n TYR 798 Cb 0.00 -0.21 0.02 0.00 -0.31 0.00 0.00 39.34 38.83 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 2.75 0.92 -0.21 7.72 1.82 -1.93 -0.58 116.42 126.91 1u89 h ASP 799 Ca 0.13 -0.39 -0.13 0.00 -0.39 0.00 0.00 57.03 56.24 1u89 h ASP 799 Cb 1.05 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 40.80 1u89 h ASP 799 CO 0.69 1.16 -0.39 -0.61 -1.61 0.00 0.00 179.24 178.49 1u89 h GLN 800 N 0.73 0.64 -0.34 0.28 4.15 -1.99 -1.97 115.11 116.61 1u89 h GLN 800 Ca 0.07 -0.40 0.00 0.00 0.77 0.00 0.00 58.65 59.09 1u89 h GLN 800 Cb 0.91 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.63 1u89 h GLN 800 CO 0.08 1.02 0.22 0.00 -1.93 0.00 0.00 178.83 178.22 1u89 h ALA 801 N 0.61 0.43 -0.70 3.38 0.00 -1.90 -0.33 119.26 120.75 1u89 h ALA 801 Ca 0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1u89 h ALA 801 Cb 0.98 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1u89 h ALA 801 CO 0.09 -0.11 0.22 1.79 0.00 0.00 0.00 179.25 181.24 1u89 h THR 802 N 0.45 1.26 -0.75 0.00 1.35 -1.13 -1.68 112.91 112.40 1u89 h THR 802 Ca 0.12 -0.89 0.06 0.00 -0.55 0.00 0.00 66.41 65.16 1u89 h THR 802 Cb -0.04 0.50 -0.06 0.00 -1.73 0.00 0.00 68.15 66.82 1u89 h THR 802 CO -0.03 0.35 0.44 -0.78 -0.25 0.00 0.00 175.52 175.25 1u89 h ASP 803 N 1.03 0.67 -0.38 5.36 3.58 -0.98 0.90 116.42 126.59 1u89 h ASP 803 Ca 0.23 0.03 0.01 0.00 0.42 0.00 0.00 57.03 57.71 1u89 h ASP 803 Cb 0.30 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 1u89 h ASP 803 CO -0.01 0.42 0.23 0.74 -2.88 0.00 0.00 179.24 177.75 1u89 h THR 804 N 0.80 1.06 0.45 2.25 2.02 -0.44 -0.86 112.91 118.19 1u89 h THR 804 Ca 0.34 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.33 1u89 h THR 804 Cb 0.20 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1u89 h THR 804 CO -0.19 0.09 -0.22 0.40 0.37 0.00 0.00 175.52 175.97 1u89 h ILE 805 N 0.48 0.55 -0.44 3.11 2.04 -0.55 -0.82 117.51 121.87 1u89 h ILE 805 Ca 0.15 -0.11 0.09 0.00 1.00 0.00 0.00 64.86 65.98 1u89 h ILE 805 Cb -0.02 0.61 -0.08 0.00 -0.74 0.00 0.00 36.82 36.59 1u89 h ILE 805 CO -0.05 0.02 -0.04 -0.07 0.00 0.00 0.00 178.15 178.00 1u89 h LEU 806 N -0.67 -0.28 -1.28 1.44 3.38 -0.74 0.19 115.31 117.35 1u89 h LEU 806 Ca -0.06 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1u89 h LEU 806 Cb 0.50 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1u89 h LEU 806 CO 0.10 -0.10 0.24 0.74 0.09 0.00 0.00 178.44 179.52 1u89 h THR 807 N 0.06 1.18 -0.17 0.22 2.02 -1.08 0.33 112.91 115.48 1u89 h THR 807 Ca 0.22 -0.52 -0.02 0.00 0.77 0.00 0.00 66.41 66.85 1u89 h THR 807 Cb 0.33 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1u89 h THR 807 CO -0.41 0.21 0.01 0.58 0.37 0.00 0.00 175.52 176.29 1u89 h VAL 808 N 0.74 1.24 -0.57 3.16 2.07 0.51 0.29 116.25 123.69 1u89 h VAL 808 Ca 0.18 -0.80 -0.09 0.00 0.82 0.00 0.00 66.70 66.82 1u89 h VAL 808 Cb 0.10 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1u89 h VAL 808 CO -0.02 0.24 0.00 0.74 0.02 0.00 0.00 177.57 178.55 1u89 h THR 809 N 0.05 1.26 -0.51 2.57 2.02 -0.27 -0.88 112.91 117.15 1u89 h THR 809 Ca 0.05 -1.13 -0.03 0.00 0.77 0.00 0.00 66.41 66.07 1u89 h THR 809 Cb 0.35 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1u89 h THR 809 CO 0.01 0.41 0.19 -0.08 0.37 0.00 0.00 175.52 176.41 1u89 h GLU 810 N 0.89 0.73 -0.42 6.66 4.57 -0.29 0.05 114.58 126.77 1u89 h GLU 810 Ca 0.16 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1u89 h GLU 810 Cb 0.55 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 1u89 h GLU 810 CO 0.03 0.61 0.26 -0.91 -1.18 0.00 0.00 179.01 177.82 1u89 h ASN 811 N 0.73 0.50 -0.25 1.04 2.35 0.26 -1.69 115.58 118.51 1u89 h ASN 811 Ca 0.17 -0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.82 1u89 h ASN 811 Cb 0.16 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1u89 h ASN 811 CO -0.02 0.39 -0.05 0.40 -1.65 0.00 0.00 177.43 176.50 1u89 h ILE 812 N 0.56 1.23 0.00 2.81 2.04 -0.45 0.40 117.51 124.10 1u89 h ILE 812 Ca 0.15 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 65.03 1u89 h ILE 812 Cb -0.02 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1u89 h ILE 812 CO -0.03 0.33 -0.10 -0.26 0.00 0.00 0.00 178.15 178.08 1u89 h PHE 813 N 0.57 0.00 0.00 1.37 0.04 -0.54 0.13 116.94 118.51 1u89 h PHE 813 Ca 0.11 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.62 1u89 h PHE 813 Cb 0.44 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.55 1u89 h PHE 813 CO 0.02 0.10 -1.68 0.43 -0.60 0.00 0.00 178.31 176.58 1u89 n SER 814 N -4.02 0.79 -1.27 2.17 7.64 -0.48 -4.03 113.62 114.41 1u89 n SER 814 Ca -0.02 0.37 0.08 0.00 1.01 0.00 0.00 58.87 60.31 1u89 n SER 814 Cb 0.19 0.11 0.28 0.00 -1.01 0.00 0.00 64.21 63.78 1u89 n SER 814 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1u89 n SER 815 N -2.97 3.72 -4.55 6.43 3.41 0.13 -4.89 113.62 114.90 1u89 n SER 815 Ca -0.16 -2.24 -0.34 0.00 -0.26 0.00 0.00 58.87 55.87 1u89 n SER 815 Cb 0.99 -0.48 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 1u89 n SER 815 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1u89 s MET 816 N -1.60 2.26 0.00 4.33 0.00 -0.02 -0.27 119.30 124.00 1u89 s MET 816 Ca 0.41 0.90 0.00 0.00 0.00 0.00 0.00 55.69 57.00 1u89 s MET 816 Cb 0.25 -4.57 0.00 0.00 0.00 0.00 0.00 34.83 30.50 1u89 s MET 816 CO 0.22 -3.22 0.00 0.41 0.00 0.00 0.00 175.02 172.43 1u89 n GLY 817 N 6.05 1.91 0.10 2.11 0.00 -1.26 -4.94 105.19 109.16 1u89 n GLY 817 Ca 0.32 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.47 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 0.70 0.00 1.61 2.03 0.63 -4.66 116.55 116.86 1u89 n ASP 818 Ca 0.00 0.59 0.00 0.00 0.52 0.00 0.00 54.79 55.90 1u89 n ASP 818 Cb 0.00 -0.77 0.00 0.00 -0.72 0.00 0.00 41.12 39.63 1u89 n ASP 818 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1u89 n ALA 819 N -1.75 0.00 0.10 -1.67 0.00 -1.25 -4.20 120.51 111.73 1u89 n ALA 819 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.37 1u89 n ALA 819 Cb 0.37 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.36 1.34 0.00 0.00 -1.91 -0.87 103.07 101.27 1u89 h GLY 820 Ca 0.00 0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.57 1u89 h GLY 820 CO 0.00 -0.19 0.40 -2.09 0.00 0.00 0.00 176.54 174.66 1u89 h GLU 821 N -0.38 0.87 0.15 4.80 4.57 -1.90 0.80 114.58 123.50 1u89 h GLU 821 Ca 0.03 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1u89 h GLU 821 Cb 0.41 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1u89 h GLU 821 CO -0.13 0.61 -0.07 0.52 -1.18 0.00 0.00 179.01 178.76 1u89 h MET 822 N 0.89 -0.20 -0.41 1.92 2.86 -1.55 0.91 114.93 119.35 1u89 h MET 822 Ca 0.24 0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.80 1u89 h MET 822 Cb -0.05 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1u89 h MET 822 CO -0.05 -0.13 -0.12 0.28 1.06 0.00 0.00 176.91 177.95 1u89 h VAL 823 N -0.20 1.26 0.42 -2.22 2.07 -0.87 -0.34 116.25 116.37 1u89 h VAL 823 Ca -0.02 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 1u89 h VAL 823 Cb 0.16 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1u89 h VAL 823 CO 0.03 0.40 -0.31 -0.09 0.02 0.00 0.00 177.57 177.62 1u89 h ARG 824 N 0.67 -0.70 -0.43 1.57 2.43 -0.46 -0.36 114.38 117.11 1u89 h ARG 824 Ca 0.11 0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 1u89 h ARG 824 Cb 0.59 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 1u89 h ARG 824 CO 0.04 -0.47 0.01 1.96 -1.51 0.00 0.00 179.97 180.00 1u89 h GLN 825 N -0.72 0.68 -0.66 0.20 1.08 -0.75 -2.04 115.11 112.90 1u89 h GLN 825 Ca -0.04 -0.17 -0.00 0.00 -1.45 0.00 0.00 58.65 56.99 1u89 h GLN 825 Cb 0.62 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.92 1u89 h GLN 825 CO 0.01 0.70 0.40 0.00 -0.95 0.00 0.00 178.83 178.99 1u89 h ALA 826 N 1.36 1.47 -0.49 3.87 0.00 -0.76 0.39 119.26 125.10 1u89 h ALA 826 Ca 0.13 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1u89 h ALA 826 Cb 0.39 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1u89 h ALA 826 CO 0.01 0.47 -0.20 0.00 0.00 0.00 0.00 179.25 179.53 1u89 h ARG 827 N 0.91 1.00 -0.50 0.00 3.08 -0.39 -1.01 114.38 117.46 1u89 h ARG 827 Ca 0.24 -0.42 -0.08 0.00 0.07 0.00 0.00 59.98 59.79 1u89 h ARG 827 Cb -0.05 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1u89 h ARG 827 CO -0.05 1.10 -0.01 0.82 -1.07 0.00 0.00 179.97 180.76 1u89 h ILE 828 N 0.87 1.25 -0.20 2.04 2.04 -0.74 -1.59 117.51 121.18 1u89 h ILE 828 Ca 0.12 -1.06 0.03 0.00 1.00 0.00 0.00 64.86 64.94 1u89 h ILE 828 Cb 0.78 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 1u89 h ILE 828 CO 0.06 0.38 0.04 0.25 0.00 0.00 0.00 178.15 178.88 1u89 h LEU 829 N 0.79 0.01 -1.08 1.44 5.85 0.07 0.12 115.31 122.51 1u89 h LEU 829 Ca 0.15 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.91 1u89 h LEU 829 Cb 0.50 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 1u89 h LEU 829 CO 0.02 0.03 0.62 0.00 -0.34 0.00 0.00 178.44 178.78 1u89 h ALA 830 N 1.14 1.33 -0.38 1.25 0.00 -0.92 -0.41 119.26 121.28 1u89 h ALA 830 Ca 0.09 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1u89 h ALA 830 Cb 0.08 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1u89 h ALA 830 CO -0.12 0.62 0.08 0.37 0.00 0.00 0.00 179.25 180.19 1u89 h GLN 831 N 1.27 0.61 0.01 0.00 5.75 -0.69 -2.41 115.11 119.66 1u89 h GLN 831 Ca 0.35 -0.16 -0.00 0.00 -0.15 0.00 0.00 58.65 58.69 1u89 h GLN 831 Cb -0.14 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.34 1u89 h GLN 831 CO -0.08 0.66 -0.01 0.00 -2.65 0.00 0.00 178.83 176.76 1u89 h ALA 832 N 0.93 -0.02 -0.14 3.38 0.00 -0.24 -3.09 119.26 120.08 1u89 h ALA 832 Ca 0.12 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1u89 h ALA 832 Cb 0.33 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1u89 h ALA 832 CO 0.00 -0.29 -0.19 1.15 0.00 0.00 0.00 179.25 179.92 1u89 h THR 833 N -0.46 1.21 -0.83 0.00 2.02 -1.16 0.20 112.91 113.90 1u89 h THR 833 Ca -0.00 -0.95 0.01 0.00 0.77 0.00 0.00 66.41 66.23 1u89 h THR 833 Cb 0.44 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 1u89 h THR 833 CO 0.00 0.29 0.55 0.28 0.37 0.00 0.00 175.52 177.01 1u89 h SER 834 N 0.22 0.95 0.54 4.18 0.02 -1.43 0.15 113.55 118.17 1u89 h SER 834 Ca 0.04 -0.02 -0.29 0.00 -0.84 0.00 0.00 61.79 60.67 1u89 h SER 834 Cb 0.48 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 62.79 1u89 h SER 834 CO 0.03 0.68 -1.31 -0.78 -1.14 0.00 0.00 176.83 174.31 1u89 h ASP 835 N 1.12 0.53 0.21 3.07 3.58 -1.26 -3.10 116.42 120.57 1u89 h ASP 835 Ca 0.30 -0.57 -0.01 0.00 0.42 0.00 0.00 57.03 57.17 1u89 h ASP 835 Cb -0.12 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.76 1u89 h ASP 835 CO -0.07 1.45 -0.10 0.25 -2.88 0.00 0.00 179.24 177.89 1u89 h LEU 836 N 0.09 -0.24 -1.03 2.28 5.85 -0.10 -0.59 115.31 121.57 1u89 h LEU 836 Ca -0.17 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 1u89 h LEU 836 Cb 2.02 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 43.08 1u89 h LEU 836 CO 0.22 -0.12 0.31 0.58 -0.34 0.00 0.00 178.44 179.09 1u89 h VAL 837 N -0.35 1.23 -0.63 1.05 2.07 -0.84 -0.94 116.25 117.84 1u89 h VAL 837 Ca -0.03 -0.68 -0.09 0.00 0.82 0.00 0.00 66.70 66.73 1u89 h VAL 837 Cb 0.27 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1u89 h VAL 837 CO 0.05 0.28 0.05 -1.13 0.02 0.00 0.00 177.57 176.84 1u89 h ASN 838 N 0.99 1.05 -0.16 0.57 -1.24 -1.44 -1.23 115.58 114.11 1u89 h ASN 838 Ca 0.24 -0.29 -0.07 0.00 0.71 0.00 0.00 56.30 56.89 1u89 h ASN 838 Cb 0.14 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 38.89 1u89 h ASN 838 CO -0.03 1.07 -0.10 0.00 -1.29 0.00 0.00 177.43 177.09 1u89 h ALA 839 N 1.01 1.26 -0.41 1.57 0.00 -0.44 -1.21 119.26 121.05 1u89 h ALA 839 Ca 0.19 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1u89 h ALA 839 Cb 0.51 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1u89 h ALA 839 CO 0.02 0.49 0.07 0.82 0.00 0.00 0.00 179.25 180.64 1u89 h ILE 840 N 0.48 1.24 -0.27 0.00 5.03 -0.80 -2.38 117.51 120.82 1u89 h ILE 840 Ca 0.09 -0.88 -0.01 0.00 -0.12 0.00 0.00 64.86 63.95 1u89 h ILE 840 Cb 0.46 1.02 -0.01 0.00 -3.03 0.00 0.00 36.82 35.26 1u89 h ILE 840 CO 0.03 0.30 0.13 0.50 -0.68 0.00 0.00 178.15 178.43 1u89 h LYS 841 N 0.53 0.36 -0.21 2.37 3.64 -0.70 0.20 116.57 122.76 1u89 h LYS 841 Ca 0.12 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 1u89 h LYS 841 Cb 0.37 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1u89 h LYS 841 CO 0.01 0.28 -0.10 0.00 -2.27 0.00 0.00 179.45 177.37 1u89 h ALA 842 N 1.78 0.29 -0.10 5.00 0.00 -0.94 -2.06 119.26 123.24 1u89 h ALA 842 Ca 0.10 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1u89 h ALA 842 Cb 0.03 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1u89 h ALA 842 CO -0.01 0.13 -0.54 0.22 0.00 0.00 0.00 179.25 179.05 1u89 h ASP 843 N 0.14 0.64 -0.99 0.00 3.58 -0.96 -3.20 116.42 115.62 1u89 h ASP 843 Ca 0.05 -0.65 0.08 0.00 0.42 0.00 0.00 57.03 56.93 1u89 h ASP 843 Cb 0.59 -0.19 -0.07 0.00 1.72 0.00 0.00 39.33 41.38 1u89 h ASP 843 CO 0.03 1.19 0.64 0.00 -2.88 0.00 0.00 179.24 178.22 1u89 h ALA 844 N 0.46 1.45 -1.06 -0.78 0.00 -0.68 -2.50 119.26 116.15 1u89 h ALA 844 Ca -0.04 -0.01 -0.52 0.00 0.00 0.00 0.00 54.91 54.34 1u89 h ALA 844 Cb 1.19 -0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.62 1u89 h ALA 844 CO 0.11 0.37 1.28 -1.21 0.00 0.00 0.00 179.25 179.80 1u89 s GLU 845 N -5.99 3.28 0.00 0.00 0.41 -0.78 -1.98 118.70 113.64 1u89 s GLU 845 Ca -0.12 -0.78 0.00 0.00 -0.41 0.00 0.00 54.97 53.66 1u89 s GLU 845 Cb 0.21 -5.13 0.00 0.00 -1.78 0.00 0.00 34.13 27.42 1u89 s GLU 845 CO 0.81 -2.48 0.00 0.41 -0.49 0.00 0.00 175.26 173.51 1u89 n GLY 846 N 6.68 1.14 3.73 -1.39 0.00 -1.24 -4.89 105.19 109.21 1u89 n GLY 846 Ca 0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 4.20 0.14 1.61 2.56 -0.84 -4.64 118.70 121.74 1u89 s GLU 847 Ca 0.00 2.40 -0.13 0.00 0.00 0.00 0.00 54.97 57.25 1u89 s GLU 847 Cb 0.00 -3.12 -0.01 0.00 2.00 0.00 0.00 34.13 33.00 1u89 s GLU 847 CO 0.00 -0.59 1.55 0.77 -0.56 0.00 0.00 175.26 176.43 1u89 h SER 848 N 6.25 0.85 -3.54 -1.70 0.02 -1.87 -3.39 113.55 110.17 1u89 h SER 848 Ca -0.44 -0.36 -0.56 0.00 -0.84 0.00 0.00 61.79 59.59 1u89 h SER 848 Cb 1.21 -0.23 -0.07 0.00 0.14 0.00 0.00 62.40 63.45 1u89 h SER 848 CO 0.88 1.01 0.97 -0.62 -1.14 0.00 0.00 176.83 177.94 1u89 s ASP 849 N -6.45 6.53 0.47 3.07 -1.08 -1.26 -4.89 116.67 113.05 1u89 s ASP 849 Ca -0.12 0.50 0.26 0.00 -0.52 0.00 0.00 52.55 52.68 1u89 s ASP 849 Cb 0.11 -2.55 0.94 0.00 -1.46 0.00 0.00 42.92 39.96 1u89 s ASP 849 CO 0.83 -1.34 1.83 -0.07 0.52 0.00 0.00 175.17 176.94 1u89 h LEU 850 N 11.59 0.00 0.04 -1.34 -0.00 -1.98 0.13 115.31 123.75 1u89 h LEU 850 Ca -0.24 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.55 1u89 h LEU 850 Cb 1.07 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.74 1u89 h LEU 850 CO 1.13 0.14 -0.35 -0.08 -0.00 0.00 0.00 178.44 179.27 1u89 h GLU 851 N 0.00 0.17 -0.45 1.13 4.57 -1.95 -3.17 114.58 114.88 1u89 h GLU 851 Ca -0.00 -0.23 -0.04 0.00 -1.18 0.00 0.00 59.36 57.90 1u89 h GLU 851 Cb 0.74 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.39 1u89 h GLU 851 CO 0.02 1.05 0.10 -0.97 -1.18 0.00 0.00 179.01 178.03 1u89 h ASN 852 N -0.60 0.62 -0.98 1.04 -1.24 -1.93 -1.37 115.58 111.13 1u89 h ASN 852 Ca -0.06 -0.10 0.02 0.00 0.71 0.00 0.00 56.30 56.88 1u89 h ASN 852 Cb 1.21 -0.16 -0.05 0.00 0.73 0.00 0.00 38.32 40.04 1u89 h ASN 852 CO 0.07 0.62 0.64 0.77 -1.29 0.00 0.00 177.43 178.24 1u89 h SER 853 N 0.65 1.10 -0.28 1.15 4.64 -1.08 0.63 113.55 120.37 1u89 h SER 853 Ca 0.15 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.42 1u89 h SER 853 Cb 0.25 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1u89 h SER 853 CO -0.00 0.78 0.09 0.03 -0.87 0.00 0.00 176.83 176.85 1u89 h ARG 854 N 1.29 0.43 -0.96 4.77 3.08 -1.31 -2.77 114.38 118.91 1u89 h ARG 854 Ca 0.37 -0.09 0.12 0.00 0.07 0.00 0.00 59.98 60.45 1u89 h ARG 854 Cb -0.09 -0.06 -0.08 0.00 0.08 0.00 0.00 29.97 29.82 1u89 h ARG 854 CO -0.10 0.49 0.61 0.87 -1.07 0.00 0.00 179.97 180.78 1u89 h LYS 855 N 0.29 0.88 -0.26 0.04 1.79 -0.42 -0.55 116.57 118.33 1u89 h LYS 855 Ca 0.09 -0.05 0.05 0.00 -2.18 0.00 0.00 60.65 58.56 1u89 h LYS 855 Cb 0.24 -0.20 -0.05 0.00 -1.58 0.00 0.00 32.23 30.65 1u89 h LYS 855 CO -0.00 0.58 -0.06 -0.07 -1.08 0.00 0.00 179.45 178.82 1u89 h LEU 856 N 0.90 -0.22 -0.56 2.94 3.38 -0.62 0.10 115.31 121.23 1u89 h LEU 856 Ca 0.48 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.44 1u89 h LEU 856 Cb 0.55 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1u89 h LEU 856 CO -0.24 -0.08 -0.38 -0.07 0.09 0.00 0.00 178.44 177.76 1u89 h LEU 857 N 0.01 0.00 -0.17 1.67 3.38 -1.10 -1.71 115.31 117.39 1u89 h LEU 857 Ca 0.12 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1u89 h LEU 857 Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1u89 h LEU 857 CO -0.26 0.38 -0.11 0.28 0.09 0.00 0.00 178.44 178.83 1u89 h SER 858 N 0.00 0.38 -0.75 -0.43 0.02 -0.52 -0.17 113.55 112.08 1u89 h SER 858 Ca -0.00 -0.44 -0.05 0.00 -0.84 0.00 0.00 61.79 60.46 1u89 h SER 858 Cb 1.07 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.47 1u89 h SER 858 CO 0.05 0.73 0.28 0.00 -1.14 0.00 0.00 176.83 176.76 1u89 h ALA 859 N 0.66 0.97 -0.06 3.77 0.00 -0.89 -1.98 119.26 121.74 1u89 h ALA 859 Ca 0.03 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1u89 h ALA 859 Cb 0.60 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1u89 h ALA 859 CO 0.03 0.61 -0.30 0.00 0.00 0.00 0.00 179.25 179.59 1u89 h ALA 860 N 1.14 1.40 -0.60 0.00 0.00 -1.28 -1.15 119.26 118.77 1u89 h ALA 860 Ca 0.25 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1u89 h ALA 860 Cb 0.23 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1u89 h ALA 860 CO -0.02 0.43 0.20 -0.22 0.00 0.00 0.00 179.25 179.65 1u89 h LYS 861 N 0.09 0.90 -0.22 0.00 3.64 -0.28 -0.43 116.57 120.27 1u89 h LYS 861 Ca 0.01 -0.16 -0.19 0.00 -1.27 0.00 0.00 60.65 59.04 1u89 h LYS 861 Cb 0.58 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1u89 h LYS 861 CO 0.04 0.76 -0.61 0.82 -2.27 0.00 0.00 179.45 178.20 1u89 h ILE 862 N 0.88 1.29 0.15 2.00 2.04 -0.99 -2.66 117.51 120.20 1u89 h ILE 862 Ca 0.20 -1.80 0.02 0.00 1.00 0.00 0.00 64.86 64.27 1u89 h ILE 862 Cb 0.23 1.81 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 1u89 h ILE 862 CO -0.01 0.58 -0.39 -0.07 0.00 0.00 0.00 178.15 178.25 1u89 h LEU 863 N 0.55 -1.14 -0.54 1.44 -0.00 -0.65 0.14 115.31 115.11 1u89 h LEU 863 Ca -0.01 0.13 -0.02 0.00 -0.00 0.00 0.00 57.88 57.97 1u89 h LEU 863 Cb 1.23 0.43 -0.02 0.00 -0.00 0.00 0.00 40.66 42.29 1u89 h LEU 863 CO 0.13 -0.48 0.27 0.00 -0.00 0.00 0.00 178.44 178.36 1u89 h ALA 864 N -0.13 0.70 -0.16 1.53 0.00 -1.18 -1.85 119.26 118.16 1u89 h ALA 864 Ca 0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1u89 h ALA 864 Cb 0.66 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1u89 h ALA 864 CO -0.21 0.26 0.04 0.22 0.00 0.00 0.00 179.25 179.55 1u89 h ASP 865 N 0.73 0.25 -0.41 0.00 3.58 -1.25 -2.68 116.42 116.64 1u89 h ASP 865 Ca 0.19 -0.23 -0.03 0.00 0.42 0.00 0.00 57.03 57.37 1u89 h ASP 865 Cb 0.11 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 1u89 h ASP 865 CO -0.02 0.42 0.16 0.00 -2.88 0.00 0.00 179.24 176.91 1u89 h ALA 866 N 0.84 1.42 -0.83 -0.78 0.00 -0.63 -2.21 119.26 117.06 1u89 h ALA 866 Ca 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1u89 h ALA 866 Cb 0.27 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1u89 h ALA 866 CO 0.00 0.44 0.44 1.15 0.00 0.00 0.00 179.25 181.27 1u89 h THR 867 N 0.66 1.25 -0.64 0.00 2.02 -1.12 0.90 112.91 115.98 1u89 h THR 867 Ca 0.16 -0.65 -0.09 0.00 0.77 0.00 0.00 66.41 66.61 1u89 h THR 867 Cb 0.17 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 1u89 h THR 867 CO -0.01 0.29 0.06 0.00 0.37 0.00 0.00 175.52 176.22 1u89 h ALA 868 N 1.31 0.90 -0.65 6.16 0.00 -1.08 -0.70 119.26 125.19 1u89 h ALA 868 Ca 0.29 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1u89 h ALA 868 Cb 0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1u89 h ALA 868 CO -0.04 0.67 0.11 -0.22 0.00 0.00 0.00 179.25 179.76 1u89 h LYS 869 N 1.00 1.07 -0.07 0.00 3.64 -1.02 0.13 116.57 121.32 1u89 h LYS 869 Ca 0.19 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1u89 h LYS 869 Cb 0.49 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1u89 h LYS 869 CO 0.02 0.98 0.04 0.52 -2.27 0.00 0.00 179.45 178.74 1u89 h MET 870 N 1.00 0.10 -0.48 1.90 2.86 -0.44 0.23 114.93 120.10 1u89 h MET 870 Ca 0.20 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.74 1u89 h MET 870 Cb 0.43 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 1u89 h MET 870 CO 0.01 0.11 -0.06 -0.24 1.06 0.00 0.00 176.91 177.79 1u89 h VAL 871 N 0.06 1.26 -0.09 -2.22 3.04 -0.95 -0.55 116.25 116.80 1u89 h VAL 871 Ca 0.03 -1.13 -0.02 0.00 -1.01 0.00 0.00 66.70 64.56 1u89 h VAL 871 Cb 0.04 0.95 -0.00 0.00 -2.01 0.00 0.00 31.29 30.27 1u89 h VAL 871 CO -0.00 0.40 -0.03 -0.08 -1.01 0.00 0.00 177.57 176.84 1u89 h GLU 872 N 0.78 0.17 -0.61 4.17 4.22 -0.51 -2.07 114.58 120.73 1u89 h GLU 872 Ca 0.14 -0.07 -0.09 0.00 0.08 0.00 0.00 59.36 59.41 1u89 h GLU 872 Cb 0.55 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1u89 h GLU 872 CO 0.03 0.51 0.01 0.00 -2.18 0.00 0.00 179.01 177.39 1u89 h ALA 873 N 0.66 0.83 0.07 2.92 0.00 -0.50 -0.30 119.26 122.93 1u89 h ALA 873 Ca 0.02 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1u89 h ALA 873 Cb 0.45 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1u89 h ALA 873 CO 0.01 0.66 -0.03 0.00 0.00 0.00 0.00 179.25 179.89 1u89 h ALA 874 N 0.99 -0.09 -0.26 0.00 0.00 -1.08 0.13 119.26 118.95 1u89 h ALA 874 Ca 0.18 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1u89 h ALA 874 Cb 0.55 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1u89 h ALA 874 CO 0.03 -0.55 -0.20 0.87 0.00 0.00 0.00 179.25 179.40 1u89 h LYS 875 N -0.10 0.47 -0.14 0.00 1.57 -1.29 -0.97 116.57 116.11 1u89 h LYS 875 Ca -0.01 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.50 1u89 h LYS 875 Cb 0.08 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1u89 h LYS 875 CO 0.02 0.65 -0.34 0.78 -0.57 0.00 0.00 179.45 179.99 1u89 h GLY 876 N 0.98 0.52 1.47 3.86 0.00 -0.73 -2.33 103.07 106.84 1u89 h GLY 876 Ca 0.07 -0.65 -0.16 0.00 0.00 0.00 0.00 47.33 46.59 1u89 h GLY 876 CO 0.04 0.58 -0.57 0.00 0.00 0.00 0.00 176.54 176.59 1u89 h ALA 877 N 0.53 0.68 -0.19 3.60 0.00 -0.71 -2.85 119.26 120.33 1u89 h ALA 877 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1u89 h ALA 877 Cb 0.95 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1u89 h ALA 877 CO 0.07 0.69 0.00 0.00 0.00 0.00 0.00 179.25 180.02 1u89 n ALA 878 N -2.52 2.72 0.20 0.00 0.00 -0.37 -3.83 120.51 116.70 1u89 n ALA 878 Ca -0.03 -0.49 0.04 0.00 0.00 0.00 0.00 53.44 52.96 1u89 n ALA 878 Cb 0.62 -1.01 0.43 0.00 0.00 0.00 0.00 19.45 19.48 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 2.96 1.43 -2.70 0.00 0.00 -1.16 -3.35 119.26 116.43 1u89 h ALA 879 Ca 0.00 -0.28 -0.72 0.00 0.00 0.00 0.00 54.91 53.91 1u89 h ALA 879 Cb 0.66 -0.05 -0.29 0.00 0.00 0.00 0.00 17.79 18.11 1u89 h ALA 879 CO 0.08 0.38 -0.42 -1.01 0.00 0.00 0.00 179.25 178.28 1u89 s HIS 880 N -4.26 3.39 -0.93 0.00 3.76 -1.25 -4.97 115.29 111.02 1u89 s HIS 880 Ca -0.03 -1.72 -0.07 0.00 -0.15 0.00 0.00 55.06 53.09 1u89 s HIS 880 Cb 0.14 -3.26 -0.13 0.00 1.11 0.00 0.00 32.58 30.44 1u89 s HIS 880 CO 0.70 -0.93 2.85 -2.30 -0.85 0.00 0.00 174.74 174.21 1u89 n PRO 881 N 4.91 2.68 0.14 8.40 -0.02 -1.26 -4.46 135.00 145.39 1u89 n PRO 881 Ca -0.09 -1.59 0.13 0.00 -2.02 0.00 0.00 63.50 59.93 1u89 n PRO 881 Cb 0.42 -2.43 0.36 0.00 -0.02 0.00 0.00 33.50 31.82 1u89 n PRO 881 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1u89 h ASP 882 N 4.77 0.00 -4.15 2.55 3.58 -1.93 -3.45 116.42 117.78 1u89 h ASP 882 Ca 0.55 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 57.49 1u89 h ASP 882 Cb 0.59 0.00 0.10 0.00 1.72 0.00 0.00 39.33 41.74 1u89 h ASP 882 CO 1.21 0.00 0.40 -0.44 -2.88 0.00 0.00 179.24 177.53 1u89 s SER 883 N -4.93 5.18 -0.46 2.28 0.01 -1.26 -4.89 113.70 109.63 1u89 s SER 883 Ca 0.09 2.14 -0.06 0.00 1.31 0.00 0.00 55.95 59.43 1u89 s SER 883 Cb 0.10 -2.57 -0.14 0.00 0.21 0.00 0.00 66.02 63.63 1u89 s SER 883 CO 0.61 -1.58 3.23 -0.62 0.41 0.00 0.00 173.24 175.29 1u89 n GLU 884 N -2.04 2.55 -2.15 12.44 4.71 -1.26 -4.67 120.64 130.22 1u89 n GLU 884 Ca 0.11 -1.68 -0.41 0.00 -0.01 0.00 0.00 57.16 55.16 1u89 n GLU 884 Cb 0.51 -2.20 -0.01 0.00 -1.01 0.00 0.00 31.44 28.73 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 2.23 2.84 -3.10 3.49 0.00 -1.26 -4.12 120.64 120.71 1u89 n GLU 885 Ca 0.51 -2.89 -0.23 0.00 0.00 0.00 0.00 57.16 54.56 1u89 n GLU 885 Cb 0.68 -3.41 0.03 0.00 0.00 0.00 0.00 31.44 28.74 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 7.51 -4.81 0.10 5.31 -0.06 -1.26 -4.87 117.38 119.29 1u89 n GLN 886 Ca 0.50 0.84 -0.02 0.00 -2.00 0.00 0.00 57.00 56.32 1u89 n GLN 886 Cb 0.43 -5.69 -0.05 0.00 -4.06 0.00 0.00 30.24 20.87 1u89 n GLN 886 CO 0.00 0.00 0.00 0.37 -0.20 0.00 0.00 177.06 177.23 1u89 h GLN 887 N -1.38 0.00 -6.26 3.69 4.15 -1.83 -3.43 115.11 110.04 1u89 h GLN 887 Ca -0.52 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.35 1u89 h GLN 887 Cb 1.36 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 29.00 1u89 h GLN 887 CO 0.57 0.70 0.07 1.14 -1.93 0.00 0.00 178.83 179.38 1u89 s GLN 888 N -2.84 4.39 0.00 1.69 0.00 -1.26 -5.13 119.66 116.50 1u89 s GLN 888 Ca 0.02 0.90 0.00 0.00 -0.00 0.00 0.00 55.36 56.29 1u89 s GLN 888 Cb 0.09 -3.31 0.00 0.00 0.00 0.00 0.00 33.01 29.79 1u89 s GLN 888 CO 0.78 0.44 0.04 -2.13 0.00 0.00 0.00 175.29 174.42