#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 6.29 -0.39 1.61 0.01 -1.26 -4.69 113.70 115.26 1u89 s SER 752 Ca 0.00 -1.33 0.11 0.00 1.31 0.00 0.00 55.95 56.03 1u89 s SER 752 Cb 0.00 -2.57 0.36 0.00 0.21 0.00 0.00 66.02 64.02 1u89 s SER 752 CO 0.00 -1.70 0.95 1.57 0.41 0.00 0.00 173.24 174.47 1u89 n HIS 753 N 9.67 -0.91 -2.39 2.43 -0.00 -1.26 -5.07 115.22 117.70 1u89 n HIS 753 Ca 0.34 -2.96 -0.37 0.00 -0.00 0.00 0.00 57.72 54.74 1u89 n HIS 753 Cb 0.50 0.43 -0.04 0.00 -0.00 0.00 0.00 29.99 30.89 1u89 n HIS 753 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1u89 s MET 754 N -1.42 3.20 0.00 1.57 1.00 -1.26 -4.90 119.30 117.49 1u89 s MET 754 Ca 0.31 -0.69 0.00 0.00 0.00 0.00 0.00 55.69 55.31 1u89 s MET 754 Cb 0.35 -5.08 0.00 0.00 0.00 0.00 0.00 34.83 30.10 1u89 s MET 754 CO -0.05 -2.55 0.00 0.94 0.00 0.00 0.00 175.02 173.35 1u89 n GLN 755 N 8.96 0.93 -2.53 2.03 0.00 -1.26 -5.12 117.38 120.39 1u89 n GLN 755 Ca 0.31 0.00 -0.41 0.00 -0.00 0.00 0.00 57.00 56.89 1u89 n GLN 755 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.70 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 -2.00 3.33 -0.54 1.69 0.00 -1.26 -4.98 121.76 118.01 1u89 s ALA 756 Ca 0.00 0.76 -0.28 0.00 0.00 0.00 0.00 51.96 52.44 1u89 s ALA 756 Cb 0.00 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.76 1u89 s ALA 756 CO 0.00 -0.28 1.38 0.00 0.00 0.00 0.00 175.76 176.86 1u89 s ALA 757 N 0.42 2.88 0.86 0.00 0.00 -1.26 -5.00 121.76 119.66 1u89 s ALA 757 Ca 0.53 -0.60 -0.11 0.00 0.00 0.00 0.00 51.96 51.78 1u89 s ALA 757 Cb -0.28 -4.06 0.11 0.00 0.00 0.00 0.00 23.12 18.89 1u89 s ALA 757 CO 0.31 -2.79 1.09 0.95 0.00 0.00 0.00 175.76 175.33 1u89 s THR 758 N 5.77 2.86 0.00 0.00 -4.23 -1.26 -5.04 115.64 113.74 1u89 s THR 758 Ca 0.53 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 61.32 1u89 s THR 758 Cb -0.11 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 70.94 1u89 s THR 758 CO 0.27 -0.37 0.06 1.21 -0.54 0.00 0.00 174.62 175.25 1u89 n GLU 759 N -3.75 0.00 -3.14 3.99 0.00 -1.26 -5.09 120.64 111.39 1u89 n GLU 759 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.23 1u89 n GLU 759 Cb 0.55 -0.37 0.00 0.00 0.00 0.00 0.00 31.44 31.62 1u89 n GLU 759 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1u89 n ASP 760 N -0.11 0.00 -4.17 4.31 2.03 -1.26 -5.09 116.55 112.26 1u89 n ASP 760 Ca 0.00 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.91 1u89 n ASP 760 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 1u89 n ASP 760 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1u89 s GLY 761 N 0.00 2.44 -0.31 0.27 0.00 -1.26 -4.95 107.32 103.51 1u89 s GLY 761 Ca 0.00 -3.12 -0.02 0.00 0.00 0.00 0.00 44.72 41.58 1u89 s GLY 761 CO 0.00 1.13 2.45 -1.06 0.00 0.00 0.00 173.10 175.62 1u89 n GLN 762 N 3.89 1.98 0.13 2.90 6.02 -1.26 -4.61 117.38 126.42 1u89 n GLN 762 Ca 0.06 -1.67 -0.05 0.00 -0.01 0.00 0.00 57.00 55.32 1u89 n GLN 762 Cb 0.41 -1.80 -0.03 0.00 1.02 0.00 0.00 30.24 29.84 1u89 n GLN 762 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1u89 h LEU 763 N 3.30 -0.30 0.00 1.08 -0.00 -1.92 -1.82 115.31 115.65 1u89 h LEU 763 Ca 0.30 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.19 1u89 h LEU 763 Cb 0.91 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.65 1u89 h LEU 763 CO 0.69 -0.09 -0.02 -0.07 -0.00 0.00 0.00 178.44 178.95 1u89 h LEU 764 N -0.60 0.00 0.24 1.67 3.38 -1.94 -0.26 115.31 117.80 1u89 h LEU 764 Ca -0.04 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1u89 h LEU 764 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1u89 h LEU 764 CO 0.06 0.00 -0.12 -0.09 0.09 0.00 0.00 178.44 178.38 1u89 h ARG 765 N 0.00 -0.31 0.00 1.13 2.43 -1.87 -3.04 114.38 112.72 1u89 h ARG 765 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1u89 h ARG 765 Cb 0.90 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1u89 h ARG 765 CO 0.00 0.05 -0.14 0.78 -1.51 0.00 0.00 179.97 179.15 1u89 h GLY 766 N -0.89 0.00 1.04 2.80 0.00 -1.37 -3.27 103.07 101.39 1u89 h GLY 766 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 1u89 h GLY 766 CO 0.05 0.00 0.35 -2.08 0.00 0.00 0.00 176.54 174.87 1u89 h VAL 767 N -0.45 1.26 -0.36 4.60 2.07 -1.21 -0.87 116.25 121.30 1u89 h VAL 767 Ca 0.00 -0.79 0.04 0.00 0.82 0.00 0.00 66.70 66.77 1u89 h VAL 767 Cb 0.14 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.13 1u89 h VAL 767 CO 0.00 0.33 0.13 1.23 0.02 0.00 0.00 177.57 179.28 1u89 h GLY 768 N 1.18 0.46 0.91 2.17 0.00 -1.00 0.38 103.07 107.16 1u89 h GLY 768 Ca 0.28 -0.08 -0.09 0.00 0.00 0.00 0.00 47.33 47.44 1u89 h GLY 768 CO -0.03 0.04 -0.16 0.00 0.00 0.00 0.00 176.54 176.39 1u89 h ALA 769 N 1.22 0.40 -0.47 3.60 0.00 -1.42 -1.89 119.26 120.70 1u89 h ALA 769 Ca 0.16 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1u89 h ALA 769 Cb 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1u89 h ALA 769 CO -0.15 0.31 0.23 0.00 0.00 0.00 0.00 179.25 179.63 1u89 h ALA 770 N 0.74 0.61 -0.44 0.00 0.00 -0.89 -1.07 119.26 118.20 1u89 h ALA 770 Ca 0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1u89 h ALA 770 Cb 0.69 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1u89 h ALA 770 CO 0.05 0.17 0.20 0.00 0.00 0.00 0.00 179.25 179.67 1u89 h ALA 771 N 1.07 0.57 -0.20 0.00 0.00 -0.22 -2.55 119.26 117.93 1u89 h ALA 771 Ca 0.16 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1u89 h ALA 771 Cb 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1u89 h ALA 771 CO -0.02 0.15 -0.08 1.15 0.00 0.00 0.00 179.25 180.45 1u89 h THR 772 N 0.57 1.17 -0.82 0.00 2.02 -1.13 -1.40 112.91 113.33 1u89 h THR 772 Ca 0.15 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.60 1u89 h THR 772 Cb 0.15 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 1u89 h THR 772 CO -0.02 0.24 0.53 0.00 0.37 0.00 0.00 175.52 176.64 1u89 h ALA 773 N 1.62 1.04 -0.43 6.16 0.00 -0.79 0.76 119.26 127.62 1u89 h ALA 773 Ca 0.06 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1u89 h ALA 773 Cb 0.34 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1u89 h ALA 773 CO 0.02 0.46 0.07 0.28 0.00 0.00 0.00 179.25 180.08 1u89 h VAL 774 N 1.11 1.24 -0.59 0.00 2.07 -1.08 -0.12 116.25 118.89 1u89 h VAL 774 Ca 0.30 -0.88 0.07 0.00 0.82 0.00 0.00 66.70 67.01 1u89 h VAL 774 Cb -0.10 0.99 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1u89 h VAL 774 CO -0.06 0.30 0.28 0.74 0.02 0.00 0.00 177.57 178.85 1u89 h THR 775 N 0.56 0.89 0.01 2.57 2.02 -0.61 0.18 112.91 118.53 1u89 h THR 775 Ca 0.13 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1u89 h THR 775 Cb 0.37 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1u89 h THR 775 CO 0.01 0.09 -0.00 1.56 0.37 0.00 0.00 175.52 177.55 1u89 h GLN 776 N 0.51 -0.01 -0.67 6.66 1.08 -0.69 -1.64 115.11 120.34 1u89 h GLN 776 Ca 0.28 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.53 1u89 h GLN 776 Cb 0.24 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.63 1u89 h GLN 776 CO -0.22 0.31 0.38 0.00 -0.95 0.00 0.00 178.83 178.35 1u89 h ALA 777 N 0.66 0.89 -0.60 3.87 0.00 -0.66 -0.87 119.26 122.55 1u89 h ALA 777 Ca -0.00 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1u89 h ALA 777 Cb 0.32 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1u89 h ALA 777 CO 0.00 0.08 0.17 1.25 0.00 0.00 0.00 179.25 180.76 1u89 h LEU 778 N 0.72 0.89 -0.88 0.00 5.85 -0.63 -0.91 115.31 120.35 1u89 h LEU 778 Ca 0.29 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1u89 h LEU 778 Cb 0.14 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 1u89 h LEU 778 CO -0.16 0.87 0.56 0.78 -0.34 0.00 0.00 178.44 180.15 1u89 h ASN 779 N 0.86 1.04 -0.34 1.25 2.35 -0.57 -1.80 115.58 118.37 1u89 h ASN 779 Ca 0.19 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 1u89 h ASN 779 Cb 0.31 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1u89 h ASN 779 CO -0.00 0.78 0.13 -0.33 -1.65 0.00 0.00 177.43 176.36 1u89 h GLU 780 N 1.20 0.51 -0.88 0.81 4.39 -0.84 -3.18 114.58 116.60 1u89 h GLU 780 Ca 0.32 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 1u89 h GLU 780 Cb -0.09 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.44 1u89 h GLU 780 CO -0.06 0.50 0.50 1.25 -1.16 0.00 0.00 179.01 180.03 1u89 h LEU 781 N 0.40 1.08 -0.42 1.33 5.85 -0.64 -0.57 115.31 122.33 1u89 h LEU 781 Ca 0.11 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1u89 h LEU 781 Cb 0.19 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1u89 h LEU 781 CO -0.01 0.86 0.27 -0.07 -0.34 0.00 0.00 178.44 179.15 1u89 h LEU 782 N 1.22 0.47 -0.62 2.25 3.38 -1.32 0.11 115.31 120.80 1u89 h LEU 782 Ca 0.31 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.14 1u89 h LEU 782 Cb 0.00 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1u89 h LEU 782 CO -0.05 0.34 -0.29 1.56 0.09 0.00 0.00 178.44 180.09 1u89 h GLN 783 N 0.56 0.78 -0.21 1.13 4.20 -1.53 -2.26 115.11 117.77 1u89 h GLN 783 Ca 0.16 -0.35 0.04 0.00 0.06 0.00 0.00 58.65 58.56 1u89 h GLN 783 Cb -0.05 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 1u89 h GLN 783 CO -0.04 0.97 -0.01 0.45 -0.67 0.00 0.00 178.83 179.53 1u89 h HIS 784 N 0.67 -0.03 -0.14 2.96 3.86 -0.20 -0.77 115.15 121.50 1u89 h HIS 784 Ca 0.08 0.02 -0.18 0.00 -1.16 0.00 0.00 60.37 59.12 1u89 h HIS 784 Cb 0.82 0.05 0.01 0.00 1.06 0.00 0.00 27.41 29.34 1u89 h HIS 784 CO 0.04 -0.04 -0.63 0.28 0.86 0.00 0.00 177.93 178.44 1u89 h VAL 785 N 0.05 1.32 -0.03 2.45 2.07 -0.79 -2.03 116.25 119.29 1u89 h VAL 785 Ca 0.10 -1.88 -0.16 0.00 0.82 0.00 0.00 66.70 65.57 1u89 h VAL 785 Cb 0.13 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1u89 h VAL 785 CO -0.18 0.58 -0.71 0.11 0.02 0.00 0.00 177.57 177.40 1u89 h LYS 786 N 0.34 0.18 -0.00 1.57 6.56 -1.31 -3.27 116.57 120.64 1u89 h LYS 786 Ca -0.04 -0.15 0.00 0.00 -1.06 0.00 0.00 60.65 59.40 1u89 h LYS 786 Cb 1.27 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.96 1u89 h LYS 786 CO 0.13 0.82 -0.56 0.00 -2.06 0.00 0.00 179.45 177.77 1u89 n ALA 787 N -2.46 3.67 -2.61 3.86 0.00 -0.31 -4.60 120.51 118.07 1u89 n ALA 787 Ca -0.03 -0.48 -0.09 0.00 0.00 0.00 0.00 53.44 52.85 1u89 n ALA 787 Cb 0.69 -0.56 0.04 0.00 0.00 0.00 0.00 19.45 19.61 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 -0.86 1.72 -4.16 0.00 8.25 -0.76 -5.05 115.22 114.35 1u89 n HIS 788 Ca 0.04 -2.38 -0.08 0.00 -0.26 0.00 0.00 57.72 55.04 1u89 n HIS 788 Cb 0.28 -0.27 -0.02 0.00 1.12 0.00 0.00 29.99 31.10 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 -0.49 0.17 0.75 -1.41 0.00 -1.23 -4.73 120.51 113.56 1u89 n ALA 789 Ca 0.18 -0.65 0.12 0.00 0.00 0.00 0.00 53.44 53.09 1u89 n ALA 789 Cb 0.83 0.42 0.30 0.00 0.00 0.00 0.00 19.45 21.00 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 -0.30 0.26 0.00 0.00 -1.04 -1.26 -4.97 114.28 106.97 1u89 n THR 790 Ca -0.02 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1u89 n THR 790 Cb 0.19 -0.18 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 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 1.40 2.12 3.54 3.41 0.00 -1.26 -4.77 105.19 109.62 1u89 n GLY 791 Ca 0.05 0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1u89 n GLY 791 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u89 s ALA 792 N -0.46 3.47 0.00 4.61 0.00 -1.26 -4.58 121.76 123.54 1u89 s ALA 792 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.71 1u89 s ALA 792 Cb 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.59 1u89 s ALA 792 CO 0.00 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.40 1u89 n GLY 793 N 5.06 0.23 2.16 0.00 0.00 -1.26 -4.84 105.19 106.55 1u89 n GLY 793 Ca -0.14 -1.23 -0.20 0.00 0.00 0.00 0.00 46.02 44.45 1u89 n GLY 793 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1u89 n PRO 794 N 0.00 2.40 -3.10 1.61 -0.04 -1.26 -4.50 135.00 130.12 1u89 n PRO 794 Ca 0.00 -1.33 -0.10 0.00 -0.04 0.00 0.00 63.50 62.03 1u89 n PRO 794 Cb 0.00 -2.24 -0.03 0.00 -0.04 0.00 0.00 33.50 31.19 1u89 n PRO 794 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u89 s ALA 795 N 1.63 -1.20 0.08 0.55 0.00 -1.26 -4.56 121.76 117.00 1u89 s ALA 795 Ca 0.62 -0.76 -0.22 0.00 0.00 0.00 0.00 51.96 51.61 1u89 s ALA 795 Cb 0.24 -2.39 -0.07 0.00 0.00 0.00 0.00 23.12 20.91 1u89 s ALA 795 CO -0.02 -2.17 0.65 0.20 0.00 0.00 0.00 175.76 174.42 1u89 s GLY 796 N 1.06 2.73 -0.49 0.00 0.00 -1.26 -4.65 107.32 104.71 1u89 s GLY 796 Ca 0.25 0.14 -0.22 0.00 0.00 0.00 0.00 44.72 44.89 1u89 s GLY 796 CO -0.07 0.70 0.75 0.50 0.00 0.00 0.00 173.10 174.98 1u89 s ARG 797 N -0.79 3.29 -0.33 2.90 3.00 -1.26 -4.93 118.95 120.83 1u89 s ARG 797 Ca 0.32 -0.40 -0.04 0.00 0.00 0.00 0.00 55.73 55.61 1u89 s ARG 797 Cb -0.20 -4.01 0.02 0.00 0.00 0.00 0.00 34.95 30.76 1u89 s ARG 797 CO 0.21 -1.22 2.77 0.66 0.00 0.00 0.00 175.30 177.73 1u89 n TYR 798 N 6.67 1.23 -0.27 -0.53 4.02 -1.26 -4.59 117.16 122.43 1u89 n TYR 798 Ca -0.01 -1.83 -0.05 0.00 -0.01 0.00 0.00 57.90 56.00 1u89 n TYR 798 Cb 0.47 -1.32 0.06 0.00 -0.02 0.00 0.00 39.34 38.54 1u89 n TYR 798 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1u89 h ASP 799 N 2.66 0.86 -0.53 7.72 3.32 -1.99 0.03 116.42 128.49 1u89 h ASP 799 Ca 0.32 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.27 1u89 h ASP 799 Cb 0.92 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 1u89 h ASP 799 CO 0.70 0.63 0.04 1.56 -1.72 0.00 0.00 179.24 180.46 1u89 h GLN 800 N 1.01 0.91 -0.29 3.56 4.20 -1.99 -0.88 115.11 121.63 1u89 h GLN 800 Ca 0.27 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1u89 h GLN 800 Cb -0.10 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 1u89 h GLN 800 CO -0.06 0.91 0.16 0.00 -0.67 0.00 0.00 178.83 179.17 1u89 h ALA 801 N 0.96 0.38 -0.78 3.87 0.00 -1.73 0.64 119.26 122.59 1u89 h ALA 801 Ca 0.16 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1u89 h ALA 801 Cb 0.47 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1u89 h ALA 801 CO 0.02 -0.10 0.34 1.79 0.00 0.00 0.00 179.25 181.30 1u89 h THR 802 N 0.36 1.25 -0.76 0.00 1.35 -0.93 -1.90 112.91 112.28 1u89 h THR 802 Ca 0.10 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 1u89 h THR 802 Cb 0.05 0.30 -0.04 0.00 -1.73 0.00 0.00 68.15 66.74 1u89 h THR 802 CO -0.02 0.32 0.48 -0.78 -0.25 0.00 0.00 175.52 175.27 1u89 h ASP 803 N 1.12 0.90 -0.07 5.36 3.58 -0.69 -0.42 116.42 126.19 1u89 h ASP 803 Ca 0.26 -0.04 0.01 0.00 0.42 0.00 0.00 57.03 57.68 1u89 h ASP 803 Cb 0.17 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 1u89 h ASP 803 CO -0.03 0.67 0.03 0.74 -2.88 0.00 0.00 179.24 177.77 1u89 h THR 804 N 1.04 0.99 0.07 2.25 2.02 -0.44 -0.62 112.91 118.21 1u89 h THR 804 Ca 0.28 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.45 1u89 h THR 804 Cb -0.08 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1u89 h THR 804 CO -0.06 0.01 -0.13 0.40 0.37 0.00 0.00 175.52 176.12 1u89 h ILE 805 N 0.06 0.70 -0.44 3.11 2.04 -0.95 0.68 117.51 122.72 1u89 h ILE 805 Ca 0.03 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.96 1u89 h ILE 805 Cb 0.01 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 36.73 1u89 h ILE 805 CO -0.03 0.00 0.07 -0.07 0.00 0.00 0.00 178.15 178.12 1u89 h LEU 806 N -0.25 -0.04 -0.93 1.44 3.38 -0.95 0.30 115.31 118.26 1u89 h LEU 806 Ca 0.02 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1u89 h LEU 806 Cb 0.27 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1u89 h LEU 806 CO -0.07 0.01 0.54 0.74 0.09 0.00 0.00 178.44 179.75 1u89 h THR 807 N 0.19 1.26 -0.15 0.22 2.02 -0.76 0.16 112.91 115.85 1u89 h THR 807 Ca 0.22 -0.59 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 1u89 h THR 807 Cb 0.29 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 1u89 h THR 807 CO -0.30 0.28 -0.01 0.58 0.37 0.00 0.00 175.52 176.44 1u89 h VAL 808 N 1.28 1.26 -0.68 3.16 2.07 0.24 0.15 116.25 123.73 1u89 h VAL 808 Ca 0.33 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 1u89 h VAL 808 Cb -0.03 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1u89 h VAL 808 CO -0.06 0.25 0.33 0.74 0.02 0.00 0.00 177.57 178.85 1u89 h THR 809 N -0.00 1.23 -0.09 2.57 2.02 -0.18 -1.53 112.91 116.93 1u89 h THR 809 Ca 0.04 -0.64 -0.05 0.00 0.77 0.00 0.00 66.41 66.53 1u89 h THR 809 Cb 0.39 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1u89 h THR 809 CO 0.01 0.26 -0.18 -0.08 0.37 0.00 0.00 175.52 175.91 1u89 h GLU 810 N 0.94 0.14 -0.56 6.66 4.81 -0.62 -1.95 114.58 124.01 1u89 h GLU 810 Ca 0.23 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1u89 h GLU 810 Cb 0.12 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1u89 h GLU 810 CO -0.03 0.32 0.30 -0.91 -0.73 0.00 0.00 179.01 177.96 1u89 h ASN 811 N 0.14 0.71 -0.74 1.04 2.35 0.02 -1.74 115.58 117.35 1u89 h ASN 811 Ca 0.03 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 1u89 h ASN 811 Cb 0.40 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.55 1u89 h ASN 811 CO 0.03 0.61 0.44 0.40 -1.65 0.00 0.00 177.43 177.25 1u89 h ILE 812 N 0.76 1.21 -0.83 2.81 2.04 -0.66 -0.97 117.51 121.88 1u89 h ILE 812 Ca 0.20 -0.49 0.01 0.00 1.00 0.00 0.00 64.86 65.58 1u89 h ILE 812 Cb 0.06 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.30 1u89 h ILE 812 CO -0.03 0.23 0.55 -0.26 0.00 0.00 0.00 178.15 178.64 1u89 h PHE 813 N 1.02 1.03 -0.00 1.37 0.04 -1.10 -0.90 116.94 118.39 1u89 h PHE 813 Ca 0.26 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.06 1u89 h PHE 813 Cb -0.02 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 37.78 1u89 h PHE 813 CO -0.01 0.64 -0.03 0.43 -0.60 0.00 0.00 178.31 178.74 1u89 n SER 814 N -4.42 0.48 -0.68 2.17 7.64 -0.68 -3.32 113.62 114.80 1u89 n SER 814 Ca 0.10 -0.93 0.06 0.00 1.01 0.00 0.00 58.87 59.11 1u89 n SER 814 Cb 0.04 -0.04 0.12 0.00 -1.01 0.00 0.00 64.21 63.32 1u89 n SER 814 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1u89 n SER 815 N -0.74 1.44 -4.59 6.43 7.64 -0.44 -5.04 113.62 118.31 1u89 n SER 815 Ca 0.19 -2.98 -0.42 0.00 1.01 0.00 0.00 58.87 56.67 1u89 n SER 815 Cb 0.22 -0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 62.99 1u89 n SER 815 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1u89 s MET 816 N -1.90 3.11 0.00 1.43 -1.94 -0.65 -1.11 119.30 118.25 1u89 s MET 816 Ca 0.30 1.68 0.00 0.00 -1.71 0.00 0.00 55.69 55.97 1u89 s MET 816 Cb 0.30 -4.32 0.00 0.00 2.01 0.00 0.00 34.83 32.82 1u89 s MET 816 CO -0.06 -2.12 0.00 0.41 -0.01 0.00 0.00 175.02 173.24 1u89 n GLY 817 N 5.64 1.11 0.11 -0.03 0.00 -1.26 -4.95 105.19 105.81 1u89 n GLY 817 Ca 0.27 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.22 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 0.17 0.00 1.61 1.82 -1.51 -3.37 116.42 115.13 1u89 h ASP 818 Ca 0.00 -0.14 0.00 0.00 -0.39 0.00 0.00 57.03 56.50 1u89 h ASP 818 Cb 0.00 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 39.96 1u89 h ASP 818 CO 0.00 0.95 0.00 0.00 -1.61 0.00 0.00 179.24 178.58 1u89 n ALA 819 N -2.43 0.00 0.04 -0.78 0.00 -1.26 -4.37 120.51 111.71 1u89 n ALA 819 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.29 1u89 n ALA 819 Cb 0.80 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.18 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 0.00 1.56 0.00 0.00 -1.93 0.88 103.07 103.58 1u89 h GLY 820 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 1u89 h GLY 820 CO 0.00 0.00 -0.07 -2.09 0.00 0.00 0.00 176.54 174.38 1u89 h GLU 821 N -0.01 0.54 -0.22 4.80 4.57 -1.92 -0.85 114.58 121.49 1u89 h GLU 821 Ca 0.00 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.03 1u89 h GLU 821 Cb 0.02 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1u89 h GLU 821 CO -0.00 0.62 0.10 0.52 -1.18 0.00 0.00 179.01 179.07 1u89 h MET 822 N 0.51 0.32 -0.60 1.92 2.86 -1.63 0.17 114.93 118.49 1u89 h MET 822 Ca 0.10 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.59 1u89 h MET 822 Cb 0.43 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1u89 h MET 822 CO 0.02 0.36 -0.01 0.28 1.06 0.00 0.00 176.91 178.62 1u89 h VAL 823 N 0.21 1.26 -0.12 -2.22 2.07 -0.71 0.21 116.25 116.96 1u89 h VAL 823 Ca 0.07 -1.16 0.04 0.00 0.82 0.00 0.00 66.70 66.47 1u89 h VAL 823 Cb 0.15 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1u89 h VAL 823 CO -0.01 0.42 -0.12 -0.09 0.02 0.00 0.00 177.57 177.79 1u89 h ARG 824 N 0.96 -0.15 -0.67 1.57 2.43 -0.78 -0.18 114.38 117.56 1u89 h ARG 824 Ca 0.17 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.28 1u89 h ARG 824 Cb 0.57 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 1u89 h ARG 824 CO 0.03 -0.10 0.13 1.96 -1.51 0.00 0.00 179.97 180.49 1u89 h GLN 825 N -0.15 1.09 -0.43 0.20 1.08 -0.48 -2.60 115.11 113.82 1u89 h GLN 825 Ca 0.09 -0.27 0.03 0.00 -1.45 0.00 0.00 58.65 57.05 1u89 h GLN 825 Cb 0.27 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 1u89 h GLN 825 CO -0.21 0.98 0.29 0.00 -0.95 0.00 0.00 178.83 178.93 1u89 h ALA 826 N 1.11 1.83 -0.27 3.87 0.00 0.07 0.28 119.26 126.16 1u89 h ALA 826 Ca 0.21 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1u89 h ALA 826 Cb 0.40 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1u89 h ALA 826 CO 0.01 0.11 0.08 0.00 0.00 0.00 0.00 179.25 179.45 1u89 h ARG 827 N 0.46 0.41 -0.55 0.00 3.08 -0.66 0.55 114.38 117.68 1u89 h ARG 827 Ca 0.18 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1u89 h ARG 827 Cb 0.13 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1u89 h ARG 827 CO -0.04 0.49 0.22 0.82 -1.07 0.00 0.00 179.97 180.38 1u89 h ILE 828 N 0.26 1.22 -0.18 2.04 2.04 -1.05 -0.55 117.51 121.30 1u89 h ILE 828 Ca 0.09 -0.69 0.02 0.00 1.00 0.00 0.00 64.86 65.28 1u89 h ILE 828 Cb 0.25 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1u89 h ILE 828 CO -0.00 0.26 0.05 0.25 0.00 0.00 0.00 178.15 178.71 1u89 h LEU 829 N 0.75 0.05 -0.25 1.44 5.85 -0.36 0.77 115.31 123.55 1u89 h LEU 829 Ca 0.18 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.94 1u89 h LEU 829 Cb 0.20 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1u89 h LEU 829 CO -0.01 0.05 0.13 0.00 -0.34 0.00 0.00 178.44 178.27 1u89 h ALA 830 N 1.12 0.31 -0.08 1.25 0.00 -0.64 -1.20 119.26 120.00 1u89 h ALA 830 Ca 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1u89 h ALA 830 Cb 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1u89 h ALA 830 CO -0.09 -0.26 0.05 0.37 0.00 0.00 0.00 179.25 179.32 1u89 h GLN 831 N 0.28 0.11 -0.01 0.00 5.75 -0.82 -1.17 115.11 119.25 1u89 h GLN 831 Ca 0.10 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.59 1u89 h GLN 831 Cb 0.01 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.54 1u89 h GLN 831 CO -0.06 0.12 0.01 0.00 -2.65 0.00 0.00 178.83 176.24 1u89 h ALA 832 N 0.99 0.01 -0.33 3.38 0.00 -0.68 -2.39 119.26 120.24 1u89 h ALA 832 Ca 0.03 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1u89 h ALA 832 Cb 0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1u89 h ALA 832 CO -0.01 -0.42 -0.15 1.15 0.00 0.00 0.00 179.25 179.83 1u89 h THR 833 N -0.12 1.25 -0.80 0.00 2.02 -1.20 0.21 112.91 114.27 1u89 h THR 833 Ca 0.00 -1.13 0.01 0.00 0.77 0.00 0.00 66.41 66.07 1u89 h THR 833 Cb 0.14 1.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 1u89 h THR 833 CO -0.00 0.37 0.53 0.28 0.37 0.00 0.00 175.52 177.07 1u89 h SER 834 N 0.53 0.91 -0.19 4.18 0.02 -1.05 0.18 113.55 118.13 1u89 h SER 834 Ca 0.09 -0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 60.88 1u89 h SER 834 Cb 0.57 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1u89 h SER 834 CO 0.04 0.65 -0.45 -0.78 -1.14 0.00 0.00 176.83 175.15 1u89 h ASP 835 N 1.07 0.72 -0.07 3.07 3.58 -1.01 -2.66 116.42 121.12 1u89 h ASP 835 Ca 0.30 -0.57 0.03 0.00 0.42 0.00 0.00 57.03 57.21 1u89 h ASP 835 Cb -0.11 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 40.70 1u89 h ASP 835 CO -0.07 1.16 -0.14 0.25 -2.88 0.00 0.00 179.24 177.56 1u89 h LEU 836 N 0.32 -0.41 -0.66 2.28 5.85 -0.10 0.24 115.31 122.82 1u89 h LEU 836 Ca -0.00 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1u89 h LEU 836 Cb 1.06 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 1u89 h LEU 836 CO 0.10 -0.18 0.36 0.58 -0.34 0.00 0.00 178.44 178.96 1u89 h VAL 837 N -0.19 1.21 -0.45 1.05 2.07 -0.71 -1.59 116.25 117.63 1u89 h VAL 837 Ca 0.07 -0.52 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 1u89 h VAL 837 Cb 0.29 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1u89 h VAL 837 CO -0.19 0.23 -0.04 -1.13 0.02 0.00 0.00 177.57 176.46 1u89 h ASN 838 N 0.90 0.75 0.08 0.57 -1.24 -1.09 0.05 115.58 115.59 1u89 h ASN 838 Ca 0.23 -0.20 -0.00 0.00 0.71 0.00 0.00 56.30 57.04 1u89 h ASN 838 Cb 0.04 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 38.89 1u89 h ASN 838 CO -0.04 0.84 -0.04 0.00 -1.29 0.00 0.00 177.43 176.91 1u89 h ALA 839 N 1.24 -0.11 -0.48 1.57 0.00 0.06 -1.70 119.26 119.84 1u89 h ALA 839 Ca 0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1u89 h ALA 839 Cb 0.50 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1u89 h ALA 839 CO 0.03 -0.55 0.11 0.82 0.00 0.00 0.00 179.25 179.66 1u89 h ILE 840 N -0.13 1.21 -0.34 0.00 2.04 -1.11 -0.75 117.51 118.42 1u89 h ILE 840 Ca -0.01 -0.74 0.05 0.00 1.00 0.00 0.00 64.86 65.16 1u89 h ILE 840 Cb 0.11 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 1u89 h ILE 840 CO 0.02 0.27 0.05 0.50 0.00 0.00 0.00 178.15 178.99 1u89 h LYS 841 N 0.70 0.16 -0.03 2.37 3.64 -0.56 0.44 116.57 123.28 1u89 h LYS 841 Ca 0.16 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.35 1u89 h LYS 841 Cb 0.26 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1u89 h LYS 841 CO -0.00 0.10 -0.76 0.00 -2.27 0.00 0.00 179.45 176.52 1u89 h ALA 842 N 1.27 0.66 -0.01 5.00 0.00 -0.98 -2.97 119.26 122.23 1u89 h ALA 842 Ca 0.16 -0.65 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 1u89 h ALA 842 Cb 0.20 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1u89 h ALA 842 CO -0.23 0.84 -0.34 -0.44 0.00 0.00 0.00 179.25 179.07 1u89 h ASP 843 N 0.13 0.33 0.51 0.00 5.19 -0.67 -3.10 116.42 118.81 1u89 h ASP 843 Ca -0.03 -0.74 0.00 0.00 -0.62 0.00 0.00 57.03 55.64 1u89 h ASP 843 Cb 1.33 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1u89 h ASP 843 CO 0.12 1.03 0.00 0.00 -3.12 0.00 0.00 179.24 177.26 1u89 h ALA 844 N 0.31 1.00 0.00 3.45 0.00 -0.23 0.11 119.26 123.90 1u89 h ALA 844 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1u89 h ALA 844 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1u89 h ALA 844 CO 0.07 0.00 0.00 1.49 0.00 0.00 0.00 179.25 180.81 1u89 h GLU 845 N 0.00 0.00 -0.25 0.00 4.57 -1.44 -2.67 114.58 114.79 1u89 h GLU 845 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1u89 h GLU 845 Cb 0.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1u89 h GLU 845 CO 0.00 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.24 1u89 n GLY 846 N 0.04 1.35 3.77 1.92 0.00 0.39 -4.97 105.19 107.69 1u89 n GLY 846 Ca 0.01 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 1u89 n GLY 846 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u89 s GLU 847 N -1.45 4.16 0.22 1.61 -6.30 -1.01 -4.83 118.70 111.10 1u89 s GLU 847 Ca 0.31 1.74 0.03 0.00 -2.50 0.00 0.00 54.97 54.55 1u89 s GLU 847 Cb 0.19 -2.70 0.19 0.00 0.00 0.00 0.00 34.13 31.81 1u89 s GLU 847 CO 0.27 -0.20 1.52 0.77 0.02 0.00 0.00 175.26 177.64 1u89 h SER 848 N 2.74 0.31 -3.76 -1.70 0.02 -1.93 -3.43 113.55 105.79 1u89 h SER 848 Ca -0.48 -0.19 -0.68 0.00 -0.84 0.00 0.00 61.79 59.60 1u89 h SER 848 Cb 1.23 -0.09 -0.20 0.00 0.14 0.00 0.00 62.40 63.48 1u89 h SER 848 CO 0.63 0.87 -0.72 -0.62 -1.14 0.00 0.00 176.83 175.85 1u89 s ASP 849 N -6.91 4.43 0.19 3.07 2.15 -1.26 -5.02 116.67 113.31 1u89 s ASP 849 Ca -0.04 -0.13 0.21 0.00 0.43 0.00 0.00 52.55 53.01 1u89 s ASP 849 Cb 0.12 -1.02 -0.01 0.00 -0.30 0.00 0.00 42.92 41.70 1u89 s ASP 849 CO 0.81 0.32 1.03 -0.07 -0.17 0.00 0.00 175.17 177.09 1u89 h LEU 850 N 4.98 0.00 -0.01 -1.34 -0.00 -1.95 -3.25 115.31 113.74 1u89 h LEU 850 Ca -0.48 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.40 1u89 h LEU 850 Cb 1.16 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.82 1u89 h LEU 850 CO 0.52 0.15 0.00 -0.08 -0.00 0.00 0.00 178.44 179.03 1u89 h GLU 851 N 0.00 0.01 -0.05 1.13 4.22 -1.99 0.66 114.58 118.57 1u89 h GLU 851 Ca -0.04 -0.00 -0.17 0.00 0.08 0.00 0.00 59.36 59.22 1u89 h GLU 851 Cb 1.15 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1u89 h GLU 851 CO 0.01 0.17 -0.73 -2.95 -2.18 0.00 0.00 179.01 173.33 1u89 h ASN 852 N -0.15 0.34 -0.43 1.04 -1.07 -1.93 -2.88 115.58 110.51 1u89 h ASN 852 Ca 0.00 -0.23 -0.11 0.00 0.07 0.00 0.00 56.30 56.03 1u89 h ASN 852 Cb 0.16 -0.10 -0.02 0.00 -2.07 0.00 0.00 38.32 36.29 1u89 h ASN 852 CO -0.00 0.96 -0.14 0.77 0.07 0.00 0.00 177.43 179.08 1u89 h SER 853 N 0.19 0.91 -0.34 6.14 4.64 -1.56 -1.59 113.55 121.94 1u89 h SER 853 Ca -0.03 -0.30 -0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1u89 h SER 853 Cb 1.30 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 63.12 1u89 h SER 853 CO 0.12 1.05 0.20 0.03 -0.87 0.00 0.00 176.83 177.36 1u89 h ARG 854 N 0.80 0.46 -0.94 4.77 3.08 -0.79 -1.95 114.38 119.81 1u89 h ARG 854 Ca 0.12 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.20 1u89 h ARG 854 Cb 0.68 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.56 1u89 h ARG 854 CO 0.05 0.35 0.59 0.87 -1.07 0.00 0.00 179.97 180.77 1u89 h LYS 855 N 0.44 1.02 -0.23 0.04 1.79 -1.31 -0.49 116.57 117.83 1u89 h LYS 855 Ca 0.12 -0.06 0.04 0.00 -2.18 0.00 0.00 60.65 58.57 1u89 h LYS 855 Cb 0.01 -0.23 -0.04 0.00 -1.58 0.00 0.00 32.23 30.39 1u89 h LYS 855 CO -0.02 0.68 -0.02 -0.07 -1.08 0.00 0.00 179.45 178.93 1u89 h LEU 856 N 1.05 -0.13 -0.56 2.94 3.38 -0.58 -0.73 115.31 120.68 1u89 h LEU 856 Ca 0.42 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.40 1u89 h LEU 856 Cb 0.22 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1u89 h LEU 856 CO -0.19 -0.04 -0.21 -0.07 0.09 0.00 0.00 178.44 178.02 1u89 h LEU 857 N 0.05 0.00 -0.81 1.67 3.38 -0.96 -1.16 115.31 117.48 1u89 h LEU 857 Ca 0.11 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 1u89 h LEU 857 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1u89 h LEU 857 CO -0.20 0.21 -0.21 0.28 0.09 0.00 0.00 178.44 178.62 1u89 h SER 858 N 0.00 0.67 -0.12 -0.43 0.02 -0.27 0.10 113.55 113.52 1u89 h SER 858 Ca -0.00 -0.22 -0.19 0.00 -0.84 0.00 0.00 61.79 60.53 1u89 h SER 858 Cb 0.96 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.32 1u89 h SER 858 CO 0.03 0.87 -0.64 0.00 -1.14 0.00 0.00 176.83 175.95 1u89 h ALA 859 N 1.19 0.49 -0.33 3.77 0.00 -0.71 -2.75 119.26 120.91 1u89 h ALA 859 Ca 0.09 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 1u89 h ALA 859 Cb 0.67 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1u89 h ALA 859 CO 0.05 0.69 0.08 0.00 0.00 0.00 0.00 179.25 180.08 1u89 h ALA 860 N 0.74 1.54 -0.72 0.00 0.00 -0.93 0.91 119.26 120.80 1u89 h ALA 860 Ca -0.01 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1u89 h ALA 860 Cb 1.23 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1u89 h ALA 860 CO 0.13 0.35 0.21 0.87 0.00 0.00 0.00 179.25 180.81 1u89 h LYS 861 N 0.46 1.12 -0.55 0.00 6.56 -0.65 -0.69 116.57 122.82 1u89 h LYS 861 Ca 0.11 -0.24 -0.11 0.00 -1.06 0.00 0.00 60.65 59.35 1u89 h LYS 861 Cb 0.17 -0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 31.65 1u89 h LYS 861 CO -0.00 0.96 -0.07 0.82 -2.06 0.00 0.00 179.45 179.09 1u89 h ILE 862 N 1.07 1.27 -0.15 1.86 2.04 -1.01 -0.02 117.51 122.58 1u89 h ILE 862 Ca 0.23 -1.22 0.05 0.00 1.00 0.00 0.00 64.86 64.92 1u89 h ILE 862 Cb 0.31 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 1u89 h ILE 862 CO -0.01 0.43 -0.24 -0.07 0.00 0.00 0.00 178.15 178.27 1u89 h LEU 863 N 0.89 -0.74 -0.28 1.44 -0.00 -0.35 0.24 115.31 116.52 1u89 h LEU 863 Ca 0.15 0.12 -0.03 0.00 -0.00 0.00 0.00 57.88 58.12 1u89 h LEU 863 Cb 0.64 0.33 -0.01 0.00 -0.00 0.00 0.00 40.66 41.62 1u89 h LEU 863 CO 0.04 -0.28 0.05 0.00 -0.00 0.00 0.00 178.44 178.25 1u89 h ALA 864 N 0.68 0.37 -0.17 1.53 0.00 -1.04 -1.15 119.26 119.47 1u89 h ALA 864 Ca 0.11 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1u89 h ALA 864 Cb 0.45 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1u89 h ALA 864 CO -0.31 0.04 0.08 0.22 0.00 0.00 0.00 179.25 179.28 1u89 h ASP 865 N 0.28 0.12 -0.50 0.00 3.58 -0.68 0.82 116.42 120.05 1u89 h ASP 865 Ca 0.09 0.01 -0.10 0.00 0.42 0.00 0.00 57.03 57.44 1u89 h ASP 865 Cb 0.31 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 1u89 h ASP 865 CO 0.00 0.10 -0.06 0.00 -2.88 0.00 0.00 179.24 176.40 1u89 h ALA 866 N 1.08 0.89 -0.51 -0.78 0.00 -0.52 -0.74 119.26 118.68 1u89 h ALA 866 Ca 0.07 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1u89 h ALA 866 Cb 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1u89 h ALA 866 CO -0.05 0.64 -0.05 1.15 0.00 0.00 0.00 179.25 180.95 1u89 h THR 867 N 0.87 1.26 -0.45 0.00 2.02 -0.85 0.36 112.91 116.11 1u89 h THR 867 Ca 0.15 -1.14 -0.06 0.00 0.77 0.00 0.00 66.41 66.13 1u89 h THR 867 Cb 0.59 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1u89 h THR 867 CO 0.04 0.40 0.05 0.00 0.37 0.00 0.00 175.52 176.38 1u89 h ALA 868 N 1.12 0.60 -0.25 6.16 0.00 -0.57 0.20 119.26 126.51 1u89 h ALA 868 Ca 0.15 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1u89 h ALA 868 Cb 0.56 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1u89 h ALA 868 CO 0.03 0.35 -0.13 -0.22 0.00 0.00 0.00 179.25 179.28 1u89 h LYS 869 N 0.62 0.43 0.05 0.00 1.63 -0.81 0.33 116.57 118.82 1u89 h LYS 869 Ca 0.13 -0.12 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1u89 h LYS 869 Cb 0.42 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1u89 h LYS 869 CO 0.01 0.56 -0.02 1.98 -3.45 0.00 0.00 179.45 178.53 1u89 h MET 870 N 0.40 -0.06 -0.79 1.90 4.05 0.11 0.28 114.93 120.82 1u89 h MET 870 Ca 0.07 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.48 1u89 h MET 870 Cb 0.47 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.25 1u89 h MET 870 CO 0.03 0.24 0.41 -0.24 0.23 0.00 0.00 176.91 177.58 1u89 h VAL 871 N -0.37 1.24 -0.36 -5.77 3.04 -0.35 0.17 116.25 113.85 1u89 h VAL 871 Ca -0.01 -0.64 -0.13 0.00 -1.01 0.00 0.00 66.70 64.92 1u89 h VAL 871 Cb 0.33 0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 29.80 1u89 h VAL 871 CO 0.01 0.28 -0.29 -0.08 -1.01 0.00 0.00 177.57 176.48 1u89 h GLU 872 N 1.12 0.77 -0.16 4.17 4.81 -0.27 -2.63 114.58 122.39 1u89 h GLU 872 Ca 0.28 -0.35 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 1u89 h GLU 872 Cb 0.07 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 1u89 h GLU 872 CO -0.04 0.97 -0.25 0.00 -0.73 0.00 0.00 179.01 178.95 1u89 h ALA 873 N 1.01 0.25 -0.83 2.92 0.00 0.14 -1.19 119.26 121.56 1u89 h ALA 873 Ca 0.08 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.64 1u89 h ALA 873 Cb 0.82 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 1u89 h ALA 873 CO 0.07 0.23 0.53 0.00 0.00 0.00 0.00 179.25 180.08 1u89 h ALA 874 N 0.59 1.09 0.03 0.00 0.00 -0.65 0.25 119.26 120.56 1u89 h ALA 874 Ca 0.01 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 1u89 h ALA 874 Cb 0.83 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1u89 h ALA 874 CO 0.06 0.36 -0.98 0.87 0.00 0.00 0.00 179.25 179.56 1u89 h LYS 875 N 1.04 0.14 -0.06 0.00 1.57 -1.50 -2.52 116.57 115.24 1u89 h LYS 875 Ca 0.33 -0.19 -0.18 0.00 -1.87 0.00 0.00 60.65 58.74 1u89 h LYS 875 Cb 0.01 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1u89 h LYS 875 CO -0.12 1.01 -0.72 0.78 -0.57 0.00 0.00 179.45 179.83 1u89 h GLY 876 N 2.13 0.35 -0.95 3.86 0.00 -0.60 -3.04 103.07 104.82 1u89 h GLY 876 Ca -0.05 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1u89 h GLY 876 CO 0.14 0.44 0.00 0.00 0.00 0.00 0.00 176.54 177.13 1u89 n ALA 877 N -2.49 2.53 -1.39 3.60 0.00 0.82 -4.37 120.51 119.20 1u89 n ALA 877 Ca -0.04 -0.55 -0.30 0.00 0.00 0.00 0.00 53.44 52.55 1u89 n ALA 877 Cb 0.70 -1.06 -0.07 0.00 0.00 0.00 0.00 19.45 19.02 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 0.51 6.92 -0.10 0.00 0.00 -0.95 -4.41 120.51 122.48 1u89 n ALA 878 Ca 0.17 -3.10 -0.13 0.00 0.00 0.00 0.00 53.44 50.38 1u89 n ALA 878 Cb 0.40 -2.77 -0.04 0.00 0.00 0.00 0.00 19.45 17.04 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 2.48 0.98 -3.42 0.00 0.00 -1.26 -4.99 120.51 114.30 1u89 n ALA 879 Ca 0.61 -0.86 -0.15 0.00 0.00 0.00 0.00 53.44 53.05 1u89 n ALA 879 Cb 0.47 0.05 -0.10 0.00 0.00 0.00 0.00 19.45 19.87 1u89 n ALA 879 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1u89 s HIS 880 N -2.82 -0.52 0.11 0.00 -3.43 -1.26 -5.00 115.29 102.37 1u89 s HIS 880 Ca -0.30 0.35 -0.23 0.00 -0.80 0.00 0.00 55.06 54.09 1u89 s HIS 880 Cb 0.06 -0.25 -0.09 0.00 -1.43 0.00 0.00 32.58 30.87 1u89 s HIS 880 CO 0.43 -0.71 1.71 -1.00 -2.00 0.00 0.00 174.74 173.17 1u89 h PRO 881 N 8.26 -0.09 -6.97 -0.38 0.13 -1.91 -3.47 132.00 127.56 1u89 h PRO 881 Ca -0.17 0.01 -0.48 0.00 -0.87 0.00 0.00 66.00 64.48 1u89 h PRO 881 Cb 1.14 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 1u89 h PRO 881 CO 0.29 -0.06 -0.79 -3.47 -0.23 0.00 0.00 178.00 173.73 1u89 n ASP 882 N -5.19 -2.20 -3.50 1.44 2.03 -1.26 -4.74 116.55 103.14 1u89 n ASP 882 Ca -0.05 -1.03 -0.38 0.00 0.52 0.00 0.00 54.79 53.84 1u89 n ASP 882 Cb 0.11 -1.25 -0.02 0.00 -0.72 0.00 0.00 41.12 39.25 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 -1.66 5.20 -2.36 1.67 3.41 -1.26 -4.09 113.62 114.53 1u89 n SER 883 Ca -0.13 -2.65 0.01 0.00 -0.26 0.00 0.00 58.87 55.84 1u89 n SER 883 Cb 0.47 -1.44 0.04 0.00 -0.26 0.00 0.00 64.21 63.03 1u89 n SER 883 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1u89 n GLU 884 N 5.23 1.12 0.20 4.33 0.00 -1.26 -4.83 120.64 125.43 1u89 n GLU 884 Ca 0.58 -2.78 0.08 0.00 0.00 0.00 0.00 57.16 55.04 1u89 n GLU 884 Cb 0.30 -0.88 0.30 0.00 0.00 0.00 0.00 31.44 31.16 1u89 n GLU 884 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1u89 h GLU 885 N 1.90 0.00 -4.98 5.31 5.08 -1.96 -3.40 114.58 116.52 1u89 h GLU 885 Ca -0.21 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.49 1u89 h GLU 885 Cb 1.46 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.36 1u89 h GLU 885 CO 0.11 0.30 -0.85 -1.14 -1.00 0.00 0.00 179.01 176.42 1u89 s GLN 886 N -3.41 2.85 -0.46 2.33 0.74 -1.26 -5.06 119.66 115.40 1u89 s GLN 886 Ca 0.02 -0.78 -0.37 0.00 0.05 0.00 0.00 55.36 54.28 1u89 s GLN 886 Cb 0.09 -2.48 -0.16 0.00 1.10 0.00 0.00 33.01 31.56 1u89 s GLN 886 CO 0.67 -0.21 1.87 1.04 -0.55 0.00 0.00 175.29 178.11 1u89 n GLN 887 N 4.65 0.00 -1.20 1.67 1.13 -1.26 -4.76 117.38 117.60 1u89 n GLN 887 Ca -0.20 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.63 1u89 n GLN 887 Cb 0.50 -1.29 -0.11 0.00 0.11 0.00 0.00 30.24 29.45 1u89 n GLN 887 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1u89 n GLN 888 N 6.49 2.66 0.00 -1.09 1.13 -1.26 -5.14 117.38 120.17 1u89 n GLN 888 Ca 0.48 -1.62 0.00 0.00 -1.94 0.00 0.00 57.00 53.91 1u89 n GLN 888 Cb -0.03 -2.27 0.00 0.00 0.11 0.00 0.00 30.24 28.05 1u89 n GLN 888 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49