#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 4.37 0.07 1.61 0.01 -1.26 -5.11 113.70 113.40 1u89 s SER 752 Ca 0.00 -1.64 -0.08 0.00 1.31 0.00 0.00 55.95 55.55 1u89 s SER 752 Cb 0.00 -1.41 -0.05 0.00 0.21 0.00 0.00 66.02 64.76 1u89 s SER 752 CO 0.00 -0.29 0.36 -2.28 0.41 0.00 0.00 173.24 171.44 1u89 s HIS 753 N 1.16 3.56 -0.07 2.43 5.65 -1.26 -4.83 115.29 121.93 1u89 s HIS 753 Ca 0.01 0.68 -0.05 0.00 0.25 0.00 0.00 55.06 55.95 1u89 s HIS 753 Cb -0.19 -2.08 0.02 0.00 -1.18 0.00 0.00 32.58 29.15 1u89 s HIS 753 CO -0.08 0.53 0.10 -0.12 -0.65 0.00 0.00 174.74 174.51 1u89 n MET 754 N 0.79 -1.86 -1.80 2.88 1.56 -1.26 -4.90 117.12 112.52 1u89 n MET 754 Ca -0.08 1.70 -0.42 0.00 -0.27 0.00 0.00 57.70 58.63 1u89 n MET 754 Cb 0.52 -2.61 -0.03 0.00 2.15 0.00 0.00 33.22 33.26 1u89 n MET 754 CO 0.00 0.00 0.00 1.14 -0.73 0.00 0.00 175.97 176.38 1u89 s GLN 755 N -0.90 4.16 -0.59 2.12 1.03 -1.26 -4.87 119.66 119.36 1u89 s GLN 755 Ca -0.11 2.47 -0.07 0.00 0.04 0.00 0.00 55.36 57.69 1u89 s GLN 755 Cb 0.01 -3.81 -0.14 0.00 0.03 0.00 0.00 33.01 29.09 1u89 s GLN 755 CO 0.30 -0.84 3.24 0.00 -2.54 0.00 0.00 175.29 175.45 1u89 n ALA 756 N 6.38 6.73 -3.68 2.60 0.00 -1.26 -4.73 120.51 126.56 1u89 n ALA 756 Ca 0.18 -2.62 -0.30 0.00 0.00 0.00 0.00 53.44 50.70 1u89 n ALA 756 Cb 0.40 -2.60 -0.15 0.00 0.00 0.00 0.00 19.45 17.10 1u89 n ALA 756 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u89 s ALA 757 N 0.73 1.29 0.27 0.00 0.00 -1.26 -4.99 121.76 117.80 1u89 s ALA 757 Ca 0.66 -1.53 0.03 0.00 0.00 0.00 0.00 51.96 51.11 1u89 s ALA 757 Cb 0.28 -1.56 0.36 0.00 0.00 0.00 0.00 23.12 22.20 1u89 s ALA 757 CO -0.06 -1.67 1.67 1.79 0.00 0.00 0.00 175.76 177.49 1u89 h THR 758 N 6.43 1.29 -0.00 0.00 1.35 -2.03 -3.05 112.91 116.89 1u89 h THR 758 Ca -0.15 -1.46 0.00 0.00 -0.55 0.00 0.00 66.41 64.25 1u89 h THR 758 Cb 1.01 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 1u89 h THR 758 CO 0.46 0.45 -0.01 -0.62 -0.25 0.00 0.00 175.52 175.55 1u89 n GLU 759 N -4.06 0.92 0.00 4.72 4.71 -1.26 -4.09 120.64 121.59 1u89 n GLU 759 Ca -0.01 -0.10 0.00 0.00 -0.01 0.00 0.00 57.16 57.04 1u89 n GLU 759 Cb 0.47 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.40 1u89 n GLU 759 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1u89 n ASP 760 N -0.95 0.00 0.00 1.62 2.03 -1.15 -4.93 116.55 113.16 1u89 n ASP 760 Ca 0.21 0.48 0.00 0.00 0.52 0.00 0.00 54.79 56.00 1u89 n ASP 760 Cb 0.17 -0.37 0.00 0.00 -0.72 0.00 0.00 41.12 40.20 1u89 n ASP 760 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1u89 n GLY 761 N 1.45 3.27 4.94 0.27 0.00 -1.26 -4.86 105.19 108.99 1u89 n GLY 761 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1u89 n GLY 761 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u89 n GLN 762 N 10.82 0.00 0.31 1.61 6.02 -1.26 -4.61 117.38 130.27 1u89 n GLN 762 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.82 1u89 n GLN 762 Cb 0.00 -0.01 -0.09 0.00 1.02 0.00 0.00 30.24 31.16 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 0.00 -1.03 -0.04 1.08 -0.00 -1.91 0.26 115.31 113.68 1u89 h LEU 763 Ca 0.00 0.07 -0.25 0.00 -0.00 0.00 0.00 57.88 57.70 1u89 h LEU 763 Cb 0.00 0.32 0.01 0.00 -0.00 0.00 0.00 40.66 40.98 1u89 h LEU 763 CO 0.00 -0.59 -1.08 -0.07 -0.00 0.00 0.00 178.44 176.70 1u89 h LEU 764 N -0.91 0.53 -0.46 1.67 3.38 -1.94 0.61 115.31 118.19 1u89 h LEU 764 Ca -0.06 -0.48 0.02 0.00 0.09 0.00 0.00 57.88 57.44 1u89 h LEU 764 Cb 0.76 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1u89 h LEU 764 CO 0.02 1.31 0.28 0.03 0.09 0.00 0.00 178.44 180.18 1u89 h ARG 765 N 0.18 0.55 0.00 1.13 3.08 -1.89 -1.64 114.38 115.79 1u89 h ARG 765 Ca -0.11 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1u89 h ARG 765 Cb 1.75 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.68 1u89 h ARG 765 CO 0.19 0.36 -0.15 0.78 -1.07 0.00 0.00 179.97 180.08 1u89 h GLY 766 N 0.56 0.00 0.90 0.04 0.00 -0.53 -3.35 103.07 100.70 1u89 h GLY 766 Ca 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 1u89 h GLY 766 CO -0.07 0.00 0.02 -2.08 0.00 0.00 0.00 176.54 174.41 1u89 h VAL 767 N -0.30 1.25 0.09 4.60 2.07 -1.01 -1.72 116.25 121.22 1u89 h VAL 767 Ca 0.00 -0.90 0.02 0.00 0.82 0.00 0.00 66.70 66.64 1u89 h VAL 767 Cb 0.15 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1u89 h VAL 767 CO 0.00 0.30 -0.20 1.23 0.02 0.00 0.00 177.57 178.91 1u89 h GLY 768 N 0.38 -0.35 1.02 2.17 0.00 -0.53 0.47 103.07 106.23 1u89 h GLY 768 Ca 0.10 0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.64 1u89 h GLY 768 CO 0.01 -0.19 0.36 0.00 0.00 0.00 0.00 176.54 176.73 1u89 h ALA 769 N 0.45 0.97 -0.50 3.60 0.00 -1.33 -0.92 119.26 121.54 1u89 h ALA 769 Ca 0.03 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1u89 h ALA 769 Cb 0.41 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1u89 h ALA 769 CO -0.13 0.54 -0.15 0.00 0.00 0.00 0.00 179.25 179.51 1u89 h ALA 770 N 1.18 0.69 -0.35 0.00 0.00 -0.90 -1.72 119.26 118.16 1u89 h ALA 770 Ca 0.26 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1u89 h ALA 770 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1u89 h ALA 770 CO -0.03 0.64 0.03 0.00 0.00 0.00 0.00 179.25 179.89 1u89 h ALA 771 N 0.89 0.47 -0.49 0.00 0.00 0.15 -2.73 119.26 117.55 1u89 h ALA 771 Ca 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1u89 h ALA 771 Cb 0.73 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1u89 h ALA 771 CO 0.06 0.20 0.27 1.15 0.00 0.00 0.00 179.25 180.92 1u89 h THR 772 N 0.42 1.15 -0.78 0.00 2.02 -1.08 -1.73 112.91 112.91 1u89 h THR 772 Ca 0.10 -0.38 0.02 0.00 0.77 0.00 0.00 66.41 66.92 1u89 h THR 772 Cb 0.40 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 1u89 h THR 772 CO 0.01 0.17 0.50 0.00 0.37 0.00 0.00 175.52 176.57 1u89 h ALA 773 N 1.62 1.01 -0.39 6.16 0.00 -1.02 0.12 119.26 126.77 1u89 h ALA 773 Ca 0.17 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1u89 h ALA 773 Cb 0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1u89 h ALA 773 CO -0.03 0.34 0.09 0.28 0.00 0.00 0.00 179.25 179.93 1u89 h VAL 774 N 1.00 1.23 -0.38 0.00 2.07 -1.10 0.79 116.25 119.86 1u89 h VAL 774 Ca 0.30 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 67.08 1u89 h VAL 774 Cb -0.03 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1u89 h VAL 774 CO -0.10 0.27 0.17 0.74 0.02 0.00 0.00 177.57 178.67 1u89 h THR 775 N 0.48 0.95 -0.43 2.57 2.02 -0.73 0.17 112.91 117.94 1u89 h THR 775 Ca 0.12 -0.12 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 1u89 h THR 775 Cb 0.31 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1u89 h THR 775 CO 0.00 0.06 -0.17 1.56 0.37 0.00 0.00 175.52 177.34 1u89 h GLN 776 N 0.35 0.88 -0.16 6.66 1.08 -0.62 -0.64 115.11 122.66 1u89 h GLN 776 Ca 0.16 -0.37 -0.01 0.00 -1.45 0.00 0.00 58.65 56.98 1u89 h GLN 776 Cb 0.09 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 1u89 h GLN 776 CO -0.13 1.01 0.04 0.00 -0.95 0.00 0.00 178.83 178.80 1u89 h ALA 777 N 0.84 0.20 -0.49 3.87 0.00 -0.57 0.09 119.26 123.21 1u89 h ALA 777 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1u89 h ALA 777 Cb 0.73 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1u89 h ALA 777 CO 0.06 -0.16 0.32 1.25 0.00 0.00 0.00 179.25 180.71 1u89 h LEU 778 N 0.06 0.57 -0.47 0.00 5.85 -0.64 -1.08 115.31 119.60 1u89 h LEU 778 Ca 0.05 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1u89 h LEU 778 Cb 0.25 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1u89 h LEU 778 CO 0.00 0.42 0.25 -1.13 -0.34 0.00 0.00 178.44 177.64 1u89 h ASN 779 N 0.66 0.37 -0.04 1.25 -0.73 -0.98 -1.25 115.58 114.86 1u89 h ASN 779 Ca 0.18 0.02 0.01 0.00 1.87 0.00 0.00 56.30 58.38 1u89 h ASN 779 Cb -0.06 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 38.46 1u89 h ASN 779 CO -0.04 0.26 -0.03 -0.08 -0.37 0.00 0.00 177.43 177.17 1u89 h GLU 780 N 0.50 -0.04 -0.87 6.67 4.57 -0.50 -2.67 114.58 122.23 1u89 h GLU 780 Ca 0.20 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.37 1u89 h GLU 780 Cb 0.09 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.64 1u89 h GLU 780 CO -0.13 -0.03 0.49 1.25 -1.18 0.00 0.00 179.01 179.41 1u89 h LEU 781 N -0.04 1.08 -0.49 1.64 5.85 -0.98 -0.26 115.31 122.11 1u89 h LEU 781 Ca 0.03 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.70 1u89 h LEU 781 Cb 0.09 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 1u89 h LEU 781 CO -0.07 0.86 0.26 -0.07 -0.34 0.00 0.00 178.44 179.08 1u89 h LEU 782 N 1.21 0.38 -0.24 2.25 3.38 -0.89 0.25 115.31 121.65 1u89 h LEU 782 Ca 0.31 0.02 -0.21 0.00 0.09 0.00 0.00 57.88 58.10 1u89 h LEU 782 Cb 0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1u89 h LEU 782 CO -0.05 0.26 -0.91 0.06 0.09 0.00 0.00 178.44 177.89 1u89 h GLN 783 N 0.50 0.23 -0.68 1.13 3.07 -1.34 -2.86 115.11 115.17 1u89 h GLN 783 Ca 0.21 -0.26 -0.01 0.00 0.09 0.00 0.00 58.65 58.68 1u89 h GLN 783 Cb 0.11 0.08 -0.03 0.00 0.08 0.00 0.00 27.48 27.71 1u89 h GLN 783 CO -0.14 0.99 0.37 1.25 0.09 0.00 0.00 178.83 181.38 1u89 h HIS 784 N 0.12 0.93 0.24 0.06 2.76 -0.14 -1.05 115.15 118.08 1u89 h HIS 784 Ca -0.05 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.08 1u89 h HIS 784 Cb 1.54 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 30.21 1u89 h HIS 784 CO 0.04 0.67 -0.12 0.28 -1.30 0.00 0.00 177.93 177.50 1u89 h VAL 785 N 0.93 0.79 0.00 5.26 2.07 -0.58 -3.09 116.25 121.63 1u89 h VAL 785 Ca 0.24 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1u89 h VAL 785 Cb 0.05 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1u89 h VAL 785 CO -0.04 0.15 0.00 0.29 0.02 0.00 0.00 177.57 178.00 1u89 n LYS 786 N -5.06 0.11 -0.16 1.57 5.02 -1.08 -0.20 118.16 118.36 1u89 n LYS 786 Ca -0.09 0.41 0.09 0.00 -2.02 0.00 0.00 58.31 56.69 1u89 n LYS 786 Cb 0.26 -1.73 0.17 0.00 -0.02 0.00 0.00 35.03 33.71 1u89 n LYS 786 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1u89 n ALA 787 N -1.66 2.35 0.00 7.82 0.00 -0.41 -4.42 120.51 124.19 1u89 n ALA 787 Ca 0.02 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.48 1u89 n ALA 787 Cb 0.16 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1u89 n ALA 787 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1u89 n HIS 788 N 1.02 0.00 1.38 0.00 8.25 -0.55 -4.84 115.22 120.47 1u89 n HIS 788 Ca 0.15 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.67 1u89 n HIS 788 Cb 0.48 0.45 0.23 0.00 1.12 0.00 0.00 29.99 32.26 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 -2.53 2.50 -0.98 -1.41 0.00 0.72 -4.92 120.51 113.90 1u89 n ALA 789 Ca 0.00 -0.38 -0.29 0.00 0.00 0.00 0.00 53.44 52.77 1u89 n ALA 789 Cb 0.05 -1.05 0.18 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.77 2.32 0.00 0.00 2.01 -1.25 -0.19 115.64 116.77 1u89 s THR 790 Ca 0.21 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.31 1u89 s THR 790 Cb 0.11 -2.43 0.00 0.00 0.01 0.00 0.00 72.50 70.19 1u89 s THR 790 CO 0.15 -0.14 0.00 0.61 -0.69 0.00 0.00 174.62 174.56 1u89 n GLY 791 N -0.49 0.22 3.62 4.40 0.00 -1.26 -4.73 105.19 106.95 1u89 n GLY 791 Ca 0.06 -1.97 -0.34 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.00 3.33 0.00 4.61 0.00 -1.26 -4.65 121.76 121.80 1u89 s ALA 792 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.20 1u89 s ALA 792 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.30 1u89 s ALA 792 CO 0.00 0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.40 1u89 n GLY 793 N 3.39 1.56 0.00 0.00 0.00 -1.26 -4.86 105.19 104.02 1u89 n GLY 793 Ca -0.17 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 0.00 1.61 -0.04 -1.26 -4.81 135.00 130.50 1u89 n PRO 794 Ca 0.00 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1u89 n PRO 794 Cb 0.00 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1u89 n PRO 794 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u89 n ALA 795 N -0.72 0.00 -2.07 0.55 0.00 0.73 -4.52 120.51 114.49 1u89 n ALA 795 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1u89 n ALA 795 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1u89 n ALA 795 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u89 n GLY 796 N 0.00 -0.81 3.16 0.00 0.00 -1.26 -4.41 105.19 101.87 1u89 n GLY 796 Ca 0.00 0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 1u89 n GLY 796 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u89 s ARG 797 N -2.29 2.43 -0.36 1.61 0.52 -1.26 -4.76 118.95 114.84 1u89 s ARG 797 Ca 0.05 -1.26 0.12 0.00 -0.52 0.00 0.00 55.73 54.12 1u89 s ARG 797 Cb -0.01 -3.14 0.45 0.00 0.52 0.00 0.00 34.95 32.76 1u89 s ARG 797 CO 0.30 -0.60 1.06 0.66 0.02 0.00 0.00 175.30 176.73 1u89 n TYR 798 N 4.60 2.30 -0.30 -0.53 4.02 -1.26 -4.93 117.16 121.06 1u89 n TYR 798 Ca -0.13 -2.81 -0.01 0.00 -0.01 0.00 0.00 57.90 54.94 1u89 n TYR 798 Cb 0.43 -0.23 0.12 0.00 -0.02 0.00 0.00 39.34 39.64 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 2.69 0.86 -0.12 7.72 3.32 -1.99 0.23 116.42 129.13 1u89 h ASP 799 Ca 0.12 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1u89 h ASP 799 Cb 1.12 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.48 1u89 h ASP 799 CO 0.65 0.58 -0.02 1.56 -1.72 0.00 0.00 179.24 180.29 1u89 h GLN 800 N 1.01 0.23 -0.12 3.56 4.20 -1.98 -1.26 115.11 120.75 1u89 h GLN 800 Ca 0.35 -0.08 0.02 0.00 0.06 0.00 0.00 58.65 59.00 1u89 h GLN 800 Cb 0.07 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1u89 h GLN 800 CO -0.14 0.50 -0.02 0.00 -0.67 0.00 0.00 178.83 178.50 1u89 h ALA 801 N 0.72 0.09 -0.70 3.87 0.00 -1.75 0.22 119.26 121.71 1u89 h ALA 801 Ca 0.03 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1u89 h ALA 801 Cb 0.41 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1u89 h ALA 801 CO 0.01 -0.48 0.18 1.79 0.00 0.00 0.00 179.25 180.75 1u89 h THR 802 N 0.01 1.26 -0.27 0.00 1.35 -1.00 -1.51 112.91 112.75 1u89 h THR 802 Ca 0.06 -0.94 -0.02 0.00 -0.55 0.00 0.00 66.41 64.95 1u89 h THR 802 Cb 0.08 0.53 -0.01 0.00 -1.73 0.00 0.00 68.15 67.03 1u89 h THR 802 CO -0.12 0.36 0.08 -0.78 -0.25 0.00 0.00 175.52 174.81 1u89 h ASP 803 N 1.05 0.40 -0.38 5.36 3.58 -0.76 -0.71 116.42 124.96 1u89 h ASP 803 Ca 0.22 -0.21 0.02 0.00 0.42 0.00 0.00 57.03 57.48 1u89 h ASP 803 Cb 0.35 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 1u89 h ASP 803 CO -0.00 0.51 0.22 0.74 -2.88 0.00 0.00 179.24 177.83 1u89 h THR 804 N 0.28 1.04 0.68 2.25 2.02 -0.35 -0.39 112.91 118.44 1u89 h THR 804 Ca 0.09 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 1u89 h THR 804 Cb 0.25 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1u89 h THR 804 CO -0.00 0.08 -0.46 0.40 0.37 0.00 0.00 175.52 175.92 1u89 h ILE 805 N 0.45 0.09 -0.38 3.11 2.04 -1.13 -1.17 117.51 120.52 1u89 h ILE 805 Ca 0.15 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.08 1u89 h ILE 805 Cb 0.01 0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 36.12 1u89 h ILE 805 CO -0.07 0.00 0.04 -0.07 0.00 0.00 0.00 178.15 178.05 1u89 h LEU 806 N -1.08 -0.06 -1.00 1.44 3.38 -0.98 0.06 115.31 117.07 1u89 h LEU 806 Ca -0.09 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1u89 h LEU 806 Cb 0.88 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 1u89 h LEU 806 CO 0.07 0.01 0.52 0.74 0.09 0.00 0.00 178.44 179.87 1u89 h THR 807 N 0.16 1.25 -0.21 0.22 2.02 -1.03 0.20 112.91 115.52 1u89 h THR 807 Ca 0.18 -0.56 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 1u89 h THR 807 Cb 0.24 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 1u89 h THR 807 CO -0.27 0.27 0.07 0.58 0.37 0.00 0.00 175.52 176.54 1u89 h VAL 808 N 1.24 1.19 -0.73 3.16 2.07 -0.11 0.75 116.25 123.81 1u89 h VAL 808 Ca 0.32 -0.59 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 1u89 h VAL 808 Cb -0.03 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1u89 h VAL 808 CO -0.06 0.19 0.31 0.74 0.02 0.00 0.00 177.57 178.77 1u89 h THR 809 N 0.17 1.25 -0.94 2.57 2.02 -0.65 -0.70 112.91 116.63 1u89 h THR 809 Ca 0.07 -0.75 0.02 0.00 0.77 0.00 0.00 66.41 66.52 1u89 h THR 809 Cb 0.23 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 66.97 1u89 h THR 809 CO -0.00 0.31 0.62 -0.08 0.37 0.00 0.00 175.52 176.73 1u89 h GLU 810 N 1.04 1.20 -0.28 6.66 4.57 -0.37 -2.21 114.58 125.19 1u89 h GLU 810 Ca 0.25 -0.07 -0.15 0.00 -1.18 0.00 0.00 59.36 58.21 1u89 h GLU 810 Cb 0.18 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 1u89 h GLU 810 CO -0.02 0.79 -0.42 -0.91 -1.18 0.00 0.00 179.01 177.27 1u89 h ASN 811 N 1.23 0.74 -0.34 1.04 2.35 -0.18 -2.88 115.58 117.55 1u89 h ASN 811 Ca 0.35 -0.34 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1u89 h ASN 811 Cb -0.08 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.06 1u89 h ASN 811 CO -0.09 1.06 0.20 0.40 -1.65 0.00 0.00 177.43 177.35 1u89 h ILE 812 N 0.56 1.11 -0.62 2.81 2.04 -0.57 0.49 117.51 123.33 1u89 h ILE 812 Ca 0.04 -0.27 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 1u89 h ILE 812 Cb 0.96 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1u89 h ILE 812 CO 0.09 0.12 0.14 -0.26 0.00 0.00 0.00 178.15 178.24 1u89 h PHE 813 N 0.49 1.06 -0.10 1.37 0.04 -1.21 0.24 116.94 118.83 1u89 h PHE 813 Ca 0.13 -0.13 -0.21 0.00 2.80 0.00 0.00 57.97 60.55 1u89 h PHE 813 Cb 0.01 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 37.86 1u89 h PHE 813 CO 0.00 0.89 -0.79 0.66 -0.60 0.00 0.00 178.31 178.47 1u89 h SER 814 N 0.92 0.74 -0.39 2.17 4.64 -1.28 -3.07 113.55 117.29 1u89 h SER 814 Ca 0.19 -0.50 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1u89 h SER 814 Cb 0.38 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1u89 h SER 814 CO 0.00 1.27 0.00 -1.20 -0.87 0.00 0.00 176.83 176.04 1u89 n SER 815 N -3.88 4.09 -4.65 4.97 7.64 0.09 -4.93 113.62 116.95 1u89 n SER 815 Ca -0.06 -2.59 -0.43 0.00 1.01 0.00 0.00 58.87 56.80 1u89 n SER 815 Cb 0.75 -0.61 -0.03 0.00 -1.01 0.00 0.00 64.21 63.31 1u89 n SER 815 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1u89 s MET 816 N -2.14 3.98 0.00 1.43 0.00 0.06 -1.68 119.30 120.96 1u89 s MET 816 Ca 0.36 2.02 0.00 0.00 0.00 0.00 0.00 55.69 58.08 1u89 s MET 816 Cb 0.27 -4.04 0.00 0.00 0.00 0.00 0.00 34.83 31.07 1u89 s MET 816 CO 0.11 -1.08 0.00 0.41 0.00 0.00 0.00 175.02 174.46 1u89 n GLY 817 N 4.43 1.92 0.20 2.11 0.00 -1.26 -4.92 105.19 107.67 1u89 n GLY 817 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.71 -3.47 116.42 116.43 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 0.18 0.00 0.00 -2.88 0.00 0.00 179.24 176.54 1u89 n ALA 819 N -2.15 0.00 0.24 -0.78 0.00 -1.26 -4.42 120.51 112.13 1u89 n ALA 819 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.31 1u89 n ALA 819 Cb 0.55 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.60 1.84 0.00 0.00 -1.91 0.56 103.07 102.95 1u89 h GLY 820 Ca 0.00 0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.54 1u89 h GLY 820 CO 0.00 -0.23 -0.06 -2.09 0.00 0.00 0.00 176.54 174.16 1u89 h GLU 821 N -0.58 0.21 -0.20 4.80 4.57 -1.88 -0.76 114.58 120.73 1u89 h GLU 821 Ca -0.05 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.07 1u89 h GLU 821 Cb 0.47 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 1u89 h GLU 821 CO 0.06 0.29 0.00 0.52 -1.18 0.00 0.00 179.01 178.70 1u89 h MET 822 N 0.20 0.36 -0.44 1.92 2.86 -1.63 0.13 114.93 118.32 1u89 h MET 822 Ca 0.05 -0.11 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 1u89 h MET 822 Cb 0.25 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1u89 h MET 822 CO 0.01 0.55 0.06 0.28 1.06 0.00 0.00 176.91 178.87 1u89 h VAL 823 N 0.12 1.25 0.22 -2.22 2.07 -0.55 0.15 116.25 117.28 1u89 h VAL 823 Ca 0.06 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1u89 h VAL 823 Cb 0.39 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1u89 h VAL 823 CO 0.01 0.32 -0.13 -0.09 0.02 0.00 0.00 177.57 177.71 1u89 h ARG 824 N 0.60 -0.32 -0.57 1.57 2.43 -1.04 -0.93 114.38 116.12 1u89 h ARG 824 Ca 0.13 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1u89 h ARG 824 Cb 0.40 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 1u89 h ARG 824 CO 0.01 -0.21 0.31 1.96 -1.51 0.00 0.00 179.97 180.53 1u89 h GLN 825 N -0.33 0.81 -0.65 0.20 7.50 -0.67 -2.53 115.11 119.44 1u89 h GLN 825 Ca -0.02 -0.10 0.01 0.00 0.50 0.00 0.00 58.65 59.04 1u89 h GLN 825 Cb 0.27 -0.16 -0.03 0.00 0.05 0.00 0.00 27.48 27.61 1u89 h GLN 825 CO 0.03 0.63 0.43 0.00 -1.50 0.00 0.00 178.83 178.41 1u89 h ALA 826 N 1.14 1.57 -0.71 3.87 0.00 -0.50 0.27 119.26 124.89 1u89 h ALA 826 Ca 0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1u89 h ALA 826 Cb 0.06 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1u89 h ALA 826 CO -0.03 0.39 0.28 0.00 0.00 0.00 0.00 179.25 179.88 1u89 h ARG 827 N 0.85 1.06 -0.25 0.00 3.08 -0.76 -0.15 114.38 118.21 1u89 h ARG 827 Ca 0.24 -0.18 -0.17 0.00 0.07 0.00 0.00 59.98 59.94 1u89 h ARG 827 Cb -0.05 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.82 1u89 h ARG 827 CO -0.06 0.86 -0.52 0.82 -1.07 0.00 0.00 179.97 180.00 1u89 h ILE 828 N 1.03 1.30 -0.29 2.04 2.04 -0.86 -2.29 117.51 120.48 1u89 h ILE 828 Ca 0.24 -1.73 0.05 0.00 1.00 0.00 0.00 64.86 64.41 1u89 h ILE 828 Cb 0.21 1.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 1u89 h ILE 828 CO -0.02 0.55 0.02 0.25 0.00 0.00 0.00 178.15 178.96 1u89 h LEU 829 N 0.56 -0.06 -0.76 1.44 5.85 0.04 0.13 115.31 122.50 1u89 h LEU 829 Ca 0.02 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1u89 h LEU 829 Cb 1.09 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 1u89 h LEU 829 CO 0.11 0.00 0.50 0.00 -0.34 0.00 0.00 178.44 178.71 1u89 h ALA 830 N 1.23 0.96 -0.15 1.25 0.00 -0.98 -1.42 119.26 120.15 1u89 h ALA 830 Ca 0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1u89 h ALA 830 Cb 0.17 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1u89 h ALA 830 CO -0.21 0.39 0.06 0.37 0.00 0.00 0.00 179.25 179.86 1u89 h GLN 831 N 1.03 0.23 -0.22 0.00 5.75 -0.78 -0.92 115.11 120.20 1u89 h GLN 831 Ca 0.28 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.72 1u89 h GLN 831 Cb -0.11 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.39 1u89 h GLN 831 CO -0.06 0.31 0.06 0.00 -2.65 0.00 0.00 178.83 176.49 1u89 h ALA 832 N 0.91 0.28 -0.14 3.38 0.00 -0.60 -2.88 119.26 120.22 1u89 h ALA 832 Ca 0.05 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1u89 h ALA 832 Cb 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1u89 h ALA 832 CO -0.00 -0.08 -0.29 1.15 0.00 0.00 0.00 179.25 180.02 1u89 h THR 833 N 0.17 1.26 -0.85 0.00 2.02 -1.24 -1.26 112.91 113.02 1u89 h THR 833 Ca 0.07 -1.23 0.04 0.00 0.77 0.00 0.00 66.41 66.06 1u89 h THR 833 Cb 0.25 1.48 -0.05 0.00 -1.74 0.00 0.00 68.15 68.08 1u89 h THR 833 CO -0.00 0.37 0.54 0.28 0.37 0.00 0.00 175.52 177.08 1u89 h SER 834 N 0.23 0.87 -0.23 4.18 0.02 -0.99 0.69 113.55 118.33 1u89 h SER 834 Ca 0.03 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.85 1u89 h SER 834 Cb 0.64 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 1u89 h SER 834 CO 0.05 0.59 -0.38 -0.78 -1.14 0.00 0.00 176.83 175.16 1u89 h ASP 835 N 1.02 0.73 0.08 3.07 1.82 -1.23 -2.74 116.42 119.17 1u89 h ASP 835 Ca 0.35 -0.53 0.01 0.00 -0.39 0.00 0.00 57.03 56.47 1u89 h ASP 835 Cb 0.07 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 39.85 1u89 h ASP 835 CO -0.14 1.12 -0.12 0.25 -1.61 0.00 0.00 179.24 178.74 1u89 h LEU 836 N 0.36 -0.32 -0.74 2.28 5.85 -0.69 -1.34 115.31 120.71 1u89 h LEU 836 Ca 0.02 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1u89 h LEU 836 Cb 0.98 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 1u89 h LEU 836 CO 0.09 -0.18 0.36 0.58 -0.34 0.00 0.00 178.44 178.95 1u89 h VAL 837 N -0.24 1.24 -0.53 1.05 2.07 -0.94 -2.44 116.25 116.45 1u89 h VAL 837 Ca 0.02 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1u89 h VAL 837 Cb 0.25 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1u89 h VAL 837 CO -0.06 0.28 0.27 -1.13 0.02 0.00 0.00 177.57 176.96 1u89 h ASN 838 N 1.04 0.68 -0.64 0.57 -1.24 -1.26 -0.11 115.58 114.62 1u89 h ASN 838 Ca 0.25 -0.11 -0.00 0.00 0.71 0.00 0.00 56.30 57.15 1u89 h ASN 838 Cb 0.11 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 38.96 1u89 h ASN 838 CO -0.03 0.60 0.39 0.00 -1.29 0.00 0.00 177.43 177.10 1u89 h ALA 839 N 1.11 0.82 -0.23 1.57 0.00 -0.92 -0.37 119.26 121.23 1u89 h ALA 839 Ca 0.18 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1u89 h ALA 839 Cb 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1u89 h ALA 839 CO -0.03 0.29 -0.03 0.82 0.00 0.00 0.00 179.25 180.31 1u89 h ILE 840 N 0.87 1.27 -0.47 0.00 2.04 -1.20 -2.88 117.51 117.14 1u89 h ILE 840 Ca 0.23 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 65.14 1u89 h ILE 840 Cb -0.03 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1u89 h ILE 840 CO -0.04 0.30 0.27 0.50 0.00 0.00 0.00 178.15 179.17 1u89 h LYS 841 N 0.18 0.51 -0.82 2.37 3.11 -0.67 0.33 116.57 121.60 1u89 h LYS 841 Ca 0.06 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 57.86 1u89 h LYS 841 Cb 0.46 -0.12 -0.04 0.00 -1.00 0.00 0.00 32.23 31.54 1u89 h LYS 841 CO 0.02 0.34 0.44 0.00 -2.81 0.00 0.00 179.45 177.44 1u89 h ALA 842 N 1.22 1.24 0.20 5.00 0.00 -1.08 -1.48 119.26 124.36 1u89 h ALA 842 Ca 0.19 -0.12 -0.31 0.00 0.00 0.00 0.00 54.91 54.66 1u89 h ALA 842 Cb 0.04 -0.33 0.02 0.00 0.00 0.00 0.00 17.79 17.52 1u89 h ALA 842 CO -0.10 0.61 -1.40 0.22 0.00 0.00 0.00 179.25 178.58 1u89 h ASP 843 N 1.14 0.65 0.54 0.00 1.82 -1.23 -3.19 116.42 116.15 1u89 h ASP 843 Ca 0.29 -0.71 0.00 0.00 -0.39 0.00 0.00 57.03 56.22 1u89 h ASP 843 Cb 0.03 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 39.83 1u89 h ASP 843 CO -0.05 1.56 0.00 0.00 -1.61 0.00 0.00 179.24 179.15 1u89 h ALA 844 N 0.34 1.00 0.00 -0.78 0.00 -0.14 -3.06 119.26 116.63 1u89 h ALA 844 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.34 1u89 h ALA 844 Cb 2.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.88 1u89 h ALA 844 CO 0.24 0.00 2.10 -1.91 0.00 0.00 0.00 179.25 179.68 1u89 n GLU 845 N -2.84 2.18 0.00 0.00 4.07 -0.57 -4.24 120.64 119.25 1u89 n GLU 845 Ca -0.00 -1.38 0.00 0.00 -0.06 0.00 0.00 57.16 55.72 1u89 n GLU 845 Cb 0.19 -2.35 0.00 0.00 -0.06 0.00 0.00 31.44 29.22 1u89 n GLU 845 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1u89 n GLY 846 N 3.43 -1.28 1.38 8.31 0.00 -1.22 -5.05 105.19 110.76 1u89 n GLY 846 Ca 0.47 0.44 0.13 0.00 0.00 0.00 0.00 46.02 47.05 1u89 n GLY 846 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1u89 n GLU 847 N 0.00 -1.91 -0.00 1.61 0.00 -1.16 -4.64 120.64 114.53 1u89 n GLU 847 Ca 0.00 1.26 -0.21 0.00 0.00 0.00 0.00 57.16 58.21 1u89 n GLU 847 Cb 0.00 -2.33 -0.14 0.00 0.00 0.00 0.00 31.44 28.97 1u89 n GLU 847 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1u89 n SER 848 N -3.18 2.09 -4.14 4.31 7.64 -1.26 -4.93 113.62 114.14 1u89 n SER 848 Ca 0.01 0.19 -0.22 0.00 1.01 0.00 0.00 58.87 59.85 1u89 n SER 848 Cb 0.43 -0.82 -0.15 0.00 -1.01 0.00 0.00 64.21 62.67 1u89 n SER 848 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1u89 s ASP 849 N -6.99 1.81 0.50 6.43 -1.08 -1.26 -5.02 116.67 111.06 1u89 s ASP 849 Ca -0.23 -0.34 0.29 0.00 -0.52 0.00 0.00 52.55 51.75 1u89 s ASP 849 Cb 0.07 -0.17 0.97 0.00 -1.46 0.00 0.00 42.92 42.32 1u89 s ASP 849 CO 0.76 0.14 1.84 -0.07 0.52 0.00 0.00 175.17 178.36 1u89 h LEU 850 N 5.47 0.00 -0.88 -1.34 -0.00 -1.92 -2.14 115.31 114.50 1u89 h LEU 850 Ca -0.37 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.45 1u89 h LEU 850 Cb 1.16 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.80 1u89 h LEU 850 CO 0.47 0.03 0.08 -0.08 -0.00 0.00 0.00 178.44 178.94 1u89 h GLU 851 N 0.00 0.91 0.03 1.13 4.22 -1.98 -2.42 114.58 116.47 1u89 h GLU 851 Ca -0.00 -0.22 -0.00 0.00 0.08 0.00 0.00 59.36 59.21 1u89 h GLU 851 Cb 0.71 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1u89 h GLU 851 CO 0.00 0.85 -0.02 -0.91 -2.18 0.00 0.00 179.01 176.76 1u89 h ASN 852 N 0.86 -0.04 0.02 1.04 2.35 -1.82 -3.20 115.58 114.79 1u89 h ASN 852 Ca 0.18 -0.57 0.02 0.00 -0.55 0.00 0.00 56.30 55.37 1u89 h ASN 852 Cb 0.39 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 1u89 h ASN 852 CO 0.01 0.57 -0.13 0.77 -1.65 0.00 0.00 177.43 177.00 1u89 h SER 853 N -0.67 -0.37 -0.38 5.81 4.64 -1.37 0.17 113.55 121.38 1u89 h SER 853 Ca -0.00 0.05 0.02 0.00 -0.47 0.00 0.00 61.79 61.38 1u89 h SER 853 Cb 0.61 0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.83 1u89 h SER 853 CO 0.01 -0.19 0.22 0.03 -0.87 0.00 0.00 176.83 176.03 1u89 h ARG 854 N -0.23 0.44 -0.35 4.77 3.08 -1.58 -1.66 114.38 118.85 1u89 h ARG 854 Ca 0.04 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1u89 h ARG 854 Cb 0.28 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1u89 h ARG 854 CO -0.11 0.29 -0.06 -0.22 -1.07 0.00 0.00 179.97 178.79 1u89 h LYS 855 N 0.45 0.57 -0.49 0.04 1.63 -1.46 -2.75 116.57 114.55 1u89 h LYS 855 Ca 0.15 -0.15 -0.06 0.00 -0.85 0.00 0.00 60.65 59.74 1u89 h LYS 855 Cb 0.00 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.54 1u89 h LYS 855 CO -0.07 0.64 0.07 -0.07 -3.45 0.00 0.00 179.45 176.58 1u89 h LEU 856 N 0.53 0.73 -0.44 5.20 3.38 0.22 -0.46 115.31 124.47 1u89 h LEU 856 Ca 0.10 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 1u89 h LEU 856 Cb 0.44 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1u89 h LEU 856 CO 0.02 0.75 -0.27 -0.07 0.09 0.00 0.00 178.44 178.97 1u89 h LEU 857 N 0.74 0.99 -0.50 1.67 3.38 -1.08 -1.77 115.31 118.74 1u89 h LEU 857 Ca 0.16 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1u89 h LEU 857 Cb 0.35 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1u89 h LEU 857 CO 0.01 1.19 0.15 0.28 0.09 0.00 0.00 178.44 180.16 1u89 h SER 858 N 0.79 0.73 -0.50 -0.43 0.02 -1.20 0.10 113.55 113.05 1u89 h SER 858 Ca 0.09 -0.21 0.02 0.00 -0.84 0.00 0.00 61.79 60.85 1u89 h SER 858 Cb 0.85 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.17 1u89 h SER 858 CO 0.07 0.74 0.31 0.00 -1.14 0.00 0.00 176.83 176.82 1u89 h ALA 859 N 1.01 0.64 0.00 3.77 0.00 -0.98 -1.17 119.26 122.53 1u89 h ALA 859 Ca 0.16 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1u89 h ALA 859 Cb 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1u89 h ALA 859 CO -0.00 0.03 -0.29 0.00 0.00 0.00 0.00 179.25 178.98 1u89 h ALA 860 N 1.21 1.26 -0.40 0.00 0.00 -1.12 -2.56 119.26 117.64 1u89 h ALA 860 Ca 0.20 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1u89 h ALA 860 Cb -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1u89 h ALA 860 CO -0.07 0.36 -0.19 0.87 0.00 0.00 0.00 179.25 180.22 1u89 h LYS 861 N 0.00 0.76 -0.48 0.00 6.56 0.20 -1.64 116.57 121.97 1u89 h LYS 861 Ca -0.00 -0.29 -0.10 0.00 -1.06 0.00 0.00 60.65 59.20 1u89 h LYS 861 Cb 0.62 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 32.21 1u89 h LYS 861 CO 0.04 0.89 -0.09 0.82 -2.06 0.00 0.00 179.45 179.05 1u89 h ILE 862 N 0.68 1.26 0.13 1.86 2.04 -0.95 -1.49 117.51 121.03 1u89 h ILE 862 Ca 0.10 -1.18 0.01 0.00 1.00 0.00 0.00 64.86 64.79 1u89 h ILE 862 Cb 0.68 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 1u89 h ILE 862 CO 0.05 0.41 -0.17 -0.07 0.00 0.00 0.00 178.15 178.37 1u89 h LEU 863 N 0.78 -0.46 -1.09 1.44 -0.00 -1.08 0.26 115.31 115.17 1u89 h LEU 863 Ca 0.13 0.05 -0.06 0.00 -0.00 0.00 0.00 57.88 58.00 1u89 h LEU 863 Cb 0.60 0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 41.41 1u89 h LEU 863 CO 0.04 -0.25 -0.00 0.00 -0.00 0.00 0.00 178.44 178.23 1u89 h ALA 864 N 0.47 1.25 0.07 1.53 0.00 -1.24 -2.07 119.26 119.27 1u89 h ALA 864 Ca 0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1u89 h ALA 864 Cb 0.35 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1u89 h ALA 864 CO -0.07 0.50 -0.03 0.22 0.00 0.00 0.00 179.25 179.87 1u89 h ASP 865 N 0.61 -0.08 -0.85 0.00 3.58 -0.94 -2.91 116.42 115.82 1u89 h ASP 865 Ca 0.12 -0.41 0.00 0.00 0.42 0.00 0.00 57.03 57.17 1u89 h ASP 865 Cb 0.39 0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.42 1u89 h ASP 865 CO 0.01 0.39 0.55 0.00 -2.88 0.00 0.00 179.24 177.31 1u89 h ALA 866 N 0.29 1.08 -0.35 -0.78 0.00 -0.40 -1.49 119.26 117.63 1u89 h ALA 866 Ca -0.01 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1u89 h ALA 866 Cb 0.49 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1u89 h ALA 866 CO 0.02 0.51 -0.02 1.15 0.00 0.00 0.00 179.25 180.90 1u89 h THR 867 N 1.16 1.21 -0.35 0.00 2.02 -1.44 0.17 112.91 115.68 1u89 h THR 867 Ca 0.31 -0.85 -0.10 0.00 0.77 0.00 0.00 66.41 66.53 1u89 h THR 867 Cb -0.10 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1u89 h THR 867 CO -0.06 0.29 -0.19 0.00 0.37 0.00 0.00 175.52 175.93 1u89 h ALA 868 N 1.46 0.50 -0.96 6.16 0.00 -1.16 0.21 119.26 125.46 1u89 h ALA 868 Ca 0.11 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1u89 h ALA 868 Cb 0.37 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1u89 h ALA 868 CO 0.01 0.44 0.62 0.87 0.00 0.00 0.00 179.25 181.20 1u89 h LYS 869 N 0.53 1.27 0.17 0.00 1.57 -0.79 0.13 116.57 119.45 1u89 h LYS 869 Ca 0.08 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1u89 h LYS 869 Cb 0.73 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1u89 h LYS 869 CO 0.05 0.85 -0.08 1.98 -0.57 0.00 0.00 179.45 181.69 1u89 h MET 870 N 1.31 -0.22 -0.59 3.15 4.05 -0.36 -0.22 114.93 122.05 1u89 h MET 870 Ca 0.35 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.74 1u89 h MET 870 Cb -0.13 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.69 1u89 h MET 870 CO -0.07 0.06 0.20 -0.24 0.23 0.00 0.00 176.91 177.08 1u89 h VAL 871 N -0.49 1.22 -0.30 -5.77 3.04 -0.40 0.11 116.25 113.66 1u89 h VAL 871 Ca -0.02 -0.74 -0.14 0.00 -1.01 0.00 0.00 66.70 64.79 1u89 h VAL 871 Cb 0.38 0.56 -0.01 0.00 -2.01 0.00 0.00 31.29 30.20 1u89 h VAL 871 CO 0.04 0.29 -0.39 -0.08 -1.01 0.00 0.00 177.57 176.41 1u89 h GLU 872 N 0.86 0.71 -0.17 4.17 4.22 -0.70 -1.96 114.58 121.71 1u89 h GLU 872 Ca 0.20 -0.36 -0.11 0.00 0.08 0.00 0.00 59.36 59.17 1u89 h GLU 872 Cb 0.22 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1u89 h GLU 872 CO -0.01 0.98 -0.31 0.00 -2.18 0.00 0.00 179.01 177.49 1u89 h ALA 873 N 0.98 0.26 -0.55 2.92 0.00 -0.48 -0.64 119.26 121.76 1u89 h ALA 873 Ca 0.05 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1u89 h ALA 873 Cb 0.93 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1u89 h ALA 873 CO 0.08 0.29 0.27 0.00 0.00 0.00 0.00 179.25 179.90 1u89 h ALA 874 N 0.58 0.70 -0.13 0.00 0.00 -0.77 0.79 119.26 120.43 1u89 h ALA 874 Ca 0.01 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.59 1u89 h ALA 874 Cb 0.90 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1u89 h ALA 874 CO 0.07 0.26 -0.75 0.87 0.00 0.00 0.00 179.25 179.70 1u89 h LYS 875 N 0.73 0.64 -0.41 0.00 1.57 -1.41 -2.85 116.57 114.84 1u89 h LYS 875 Ca 0.19 -0.52 -0.11 0.00 -1.87 0.00 0.00 60.65 58.34 1u89 h LYS 875 Cb 0.10 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1u89 h LYS 875 CO -0.03 1.14 -0.17 0.78 -0.57 0.00 0.00 179.45 180.60 1u89 h GLY 876 N 0.86 0.91 -0.01 3.86 0.00 -0.86 -2.91 103.07 104.92 1u89 h GLY 876 Ca -0.04 -0.80 0.00 0.00 0.00 0.00 0.00 47.33 46.49 1u89 h GLY 876 CO 0.14 0.73 0.00 0.00 0.00 0.00 0.00 176.54 177.41 1u89 n ALA 877 N -2.48 2.59 -2.55 3.60 0.00 0.25 -4.78 120.51 117.13 1u89 n ALA 877 Ca -0.01 -0.32 -0.43 0.00 0.00 0.00 0.00 53.44 52.68 1u89 n ALA 877 Cb 0.41 -1.24 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 1u89 n ALA 877 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u89 s ALA 878 N -1.93 3.42 0.38 0.00 0.00 -1.08 -4.90 121.76 117.66 1u89 s ALA 878 Ca 0.34 -0.02 0.11 0.00 0.00 0.00 0.00 51.96 52.39 1u89 s ALA 878 Cb 0.17 -3.73 0.77 0.00 0.00 0.00 0.00 23.12 20.33 1u89 s ALA 878 CO 0.27 -1.65 1.87 0.00 0.00 0.00 0.00 175.76 176.26 1u89 h ALA 879 N 8.63 1.46 -2.57 0.00 0.00 -1.88 -3.35 119.26 121.55 1u89 h ALA 879 Ca -0.23 -0.27 -0.59 0.00 0.00 0.00 0.00 54.91 53.82 1u89 h ALA 879 Cb 1.07 -0.06 -0.39 0.00 0.00 0.00 0.00 17.79 18.41 1u89 h ALA 879 CO 1.04 0.39 -0.87 -1.58 0.00 0.00 0.00 179.25 178.23 1u89 s HIS 880 N -4.44 1.41 -0.52 0.00 5.65 -1.26 -5.09 115.29 111.04 1u89 s HIS 880 Ca -0.04 -2.31 -0.26 0.00 0.25 0.00 0.00 55.06 52.70 1u89 s HIS 880 Cb 0.15 -1.24 0.03 0.00 -1.18 0.00 0.00 32.58 30.34 1u89 s HIS 880 CO 0.73 -0.79 1.03 -1.25 -0.65 0.00 0.00 174.74 173.81 1u89 s PRO 881 N 0.13 3.51 -1.46 2.88 0.05 -1.26 -4.43 135.00 134.43 1u89 s PRO 881 Ca 0.27 0.15 -0.10 0.00 0.05 0.00 0.00 61.00 61.36 1u89 s PRO 881 Cb -0.06 -3.98 -0.06 0.00 0.05 0.00 0.00 34.50 30.45 1u89 s PRO 881 CO -0.13 -1.43 2.67 -3.47 0.05 0.00 0.00 177.00 174.69 1u89 n ASP 882 N 7.67 7.11 -0.57 6.66 2.03 -1.26 -3.99 116.55 134.20 1u89 n ASP 882 Ca 0.07 -2.58 0.04 0.00 0.52 0.00 0.00 54.79 52.84 1u89 n ASP 882 Cb 0.48 -1.49 0.07 0.00 -0.72 0.00 0.00 41.12 39.47 1u89 n ASP 882 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1u89 n SER 883 N 4.25 1.03 -4.50 1.67 7.64 -1.26 -5.09 113.62 117.37 1u89 n SER 883 Ca 0.68 -2.53 -0.27 0.00 1.01 0.00 0.00 58.87 57.76 1u89 n SER 883 Cb 0.25 -0.32 0.13 0.00 -1.01 0.00 0.00 64.21 63.26 1u89 n SER 883 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1u89 s GLU 884 N -1.18 1.34 -0.44 1.43 4.04 -1.26 -5.02 118.70 117.62 1u89 s GLU 884 Ca 0.20 -0.59 0.04 0.00 0.04 0.00 0.00 54.97 54.66 1u89 s GLU 884 Cb 0.19 -2.07 0.44 0.00 0.02 0.00 0.00 34.13 32.71 1u89 s GLU 884 CO -0.03 -1.83 1.42 0.39 -1.84 0.00 0.00 175.26 173.36 1u89 n GLU 885 N -3.28 3.32 -2.90 -4.83 -0.58 -1.26 -4.78 120.64 106.34 1u89 n GLU 885 Ca 0.13 -4.00 -0.44 0.00 -0.42 0.00 0.00 57.16 52.43 1u89 n GLU 885 Cb 0.60 -2.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.20 1u89 n GLU 885 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1u89 n GLN 886 N -0.70 3.72 -3.73 3.49 0.00 -1.26 -4.63 117.38 114.28 1u89 n GLN 886 Ca 0.48 -4.07 -0.25 0.00 -0.00 0.00 0.00 57.00 53.16 1u89 n GLN 886 Cb 0.79 -2.78 0.05 0.00 0.00 0.00 0.00 30.24 28.30 1u89 n GLN 886 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1u89 n GLN 887 N 3.52 -5.97 -0.95 3.69 3.00 -1.26 -4.85 117.38 114.57 1u89 n GLN 887 Ca 0.32 0.68 -0.12 0.00 -0.01 0.00 0.00 57.00 57.87 1u89 n GLN 887 Cb 0.38 -5.52 -0.09 0.00 0.00 0.00 0.00 30.24 25.01 1u89 n GLN 887 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1u89 n GLN 888 N -4.56 1.80 0.00 -1.09 1.13 -1.26 -5.25 117.38 108.15 1u89 n GLN 888 Ca -0.11 -1.02 0.14 0.00 -1.94 0.00 0.00 57.00 54.07 1u89 n GLN 888 Cb 0.60 -1.75 0.59 0.00 0.11 0.00 0.00 30.24 29.79 1u89 n GLN 888 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49