#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u89 h SER 752 N 0.00 0.72 -0.18 1.61 0.02 -2.06 -2.80 113.55 110.86 1u89 h SER 752 Ca 0.00 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1u89 h SER 752 Cb 0.00 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.35 1u89 h SER 752 CO 0.00 0.66 0.00 1.57 -1.14 0.00 0.00 176.83 177.92 1u89 n HIS 753 N -4.33 0.22 -3.35 3.45 -0.00 -1.26 -4.91 115.22 105.04 1u89 n HIS 753 Ca 0.04 -0.19 0.02 0.00 -0.00 0.00 0.00 57.72 57.60 1u89 n HIS 753 Cb 0.17 -0.01 -0.03 0.00 -0.00 0.00 0.00 29.99 30.13 1u89 n HIS 753 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1u89 s MET 754 N -1.11 0.47 0.00 1.57 -2.45 -1.06 -4.98 119.30 111.74 1u89 s MET 754 Ca 0.21 1.00 0.00 0.00 -1.25 0.00 0.00 55.69 55.65 1u89 s MET 754 Cb 0.13 0.58 0.00 0.00 1.25 0.00 0.00 34.83 36.79 1u89 s MET 754 CO 0.18 -0.34 0.95 1.04 1.05 0.00 0.00 175.02 177.91 1u89 n GLN 755 N 5.36 2.63 0.00 4.11 3.00 -1.25 -0.39 117.38 130.84 1u89 n GLN 755 Ca -0.07 -1.40 0.00 0.00 -0.01 0.00 0.00 57.00 55.52 1u89 n GLN 755 Cb 0.51 -0.99 0.00 0.00 0.00 0.00 0.00 30.24 29.76 1u89 n GLN 755 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1u89 n ALA 756 N -0.45 0.00 -2.73 -1.58 0.00 -1.26 -4.66 120.51 109.82 1u89 n ALA 756 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1u89 n ALA 756 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 1u89 n ALA 756 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u89 n ALA 757 N 0.00 0.00 -2.74 0.00 0.00 -1.26 -5.13 120.51 111.38 1u89 n ALA 757 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1u89 n ALA 757 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1u89 n ALA 757 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1u89 s THR 758 N 0.41 4.51 -0.91 0.00 2.01 -1.26 -4.52 115.64 115.88 1u89 s THR 758 Ca 0.00 -0.46 -0.06 0.00 0.31 0.00 0.00 61.69 61.48 1u89 s THR 758 Cb 0.00 -3.03 0.01 0.00 0.01 0.00 0.00 72.50 69.48 1u89 s THR 758 CO 0.00 0.38 0.75 -0.62 -0.69 0.00 0.00 174.62 174.44 1u89 n GLU 759 N 1.33 -5.11 -2.74 4.92 1.02 -1.26 -5.02 120.64 113.78 1u89 n GLU 759 Ca -0.14 0.55 -0.28 0.00 -0.02 0.00 0.00 57.16 57.27 1u89 n GLU 759 Cb 0.53 -4.75 -0.01 0.00 -0.02 0.00 0.00 31.44 27.19 1u89 n GLU 759 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1u89 s ASP 760 N -3.17 6.35 0.56 1.62 -4.77 -1.26 -4.93 116.67 111.05 1u89 s ASP 760 Ca 0.37 0.97 0.00 0.00 -3.30 0.00 0.00 52.55 50.59 1u89 s ASP 760 Cb -0.16 -2.26 0.00 0.00 -1.09 0.00 0.00 42.92 39.40 1u89 s ASP 760 CO 0.46 -0.50 0.00 0.61 0.70 0.00 0.00 175.17 176.44 1u89 n GLY 761 N -1.91 -0.65 1.88 2.12 0.00 -1.26 -4.02 105.19 101.36 1u89 n GLY 761 Ca 0.01 -1.10 -0.21 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.44 2.46 0.30 1.61 6.02 -1.26 -4.70 117.38 121.36 1u89 n GLN 762 Ca 0.00 -3.34 -0.12 0.00 -0.01 0.00 0.00 57.00 53.53 1u89 n GLN 762 Cb 0.00 -2.11 -0.06 0.00 1.02 0.00 0.00 30.24 29.09 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 1.47 -0.69 0.02 1.08 -0.00 -1.86 -0.23 115.31 115.11 1u89 h LEU 763 Ca 0.45 0.03 -0.30 0.00 -0.00 0.00 0.00 57.88 58.06 1u89 h LEU 763 Cb 1.70 0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 42.50 1u89 h LEU 763 CO 0.95 -0.47 -1.69 -0.07 -0.00 0.00 0.00 178.44 177.16 1u89 h LEU 764 N -0.78 0.08 -0.62 1.67 -0.00 -1.87 -1.63 115.31 112.17 1u89 h LEU 764 Ca -0.08 -0.17 -0.03 0.00 -0.00 0.00 0.00 57.88 57.60 1u89 h LEU 764 Cb 0.60 -0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 41.21 1u89 h LEU 764 CO 0.12 1.15 0.26 0.03 -0.00 0.00 0.00 178.44 180.00 1u89 h ARG 765 N 0.01 0.92 0.00 1.13 3.08 -1.84 -2.63 114.38 115.05 1u89 h ARG 765 Ca -0.28 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1u89 h ARG 765 Cb 2.00 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.90 1u89 h ARG 765 CO 0.09 0.77 -0.32 0.41 -1.07 0.00 0.00 179.97 179.85 1u89 n GLY 766 N -0.86 -0.53 0.11 0.04 0.00 -0.15 -4.30 105.19 99.50 1u89 n GLY 766 Ca 0.04 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1u89 n GLY 766 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1u89 h VAL 767 N -0.35 0.91 -0.34 1.61 2.07 -0.93 -0.16 116.25 119.07 1u89 h VAL 767 Ca 0.00 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.43 1u89 h VAL 767 Cb 0.32 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 1u89 h VAL 767 CO 0.00 0.04 -0.05 1.23 0.02 0.00 0.00 177.57 178.80 1u89 h GLY 768 N -0.25 0.27 0.94 2.17 0.00 -1.18 0.36 103.07 105.39 1u89 h GLY 768 Ca -0.02 0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.32 1u89 h GLY 768 CO 0.03 -0.11 -0.06 0.00 0.00 0.00 0.00 176.54 176.40 1u89 h ALA 769 N 1.32 0.51 -0.44 3.60 0.00 -1.36 -1.97 119.26 120.92 1u89 h ALA 769 Ca 0.16 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1u89 h ALA 769 Cb 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1u89 h ALA 769 CO -0.32 0.33 -0.05 0.00 0.00 0.00 0.00 179.25 179.21 1u89 h ALA 770 N 0.84 0.60 -0.61 0.00 0.00 -0.63 -0.81 119.26 118.65 1u89 h ALA 770 Ca 0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1u89 h ALA 770 Cb 0.55 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1u89 h ALA 770 CO 0.03 0.44 0.33 0.00 0.00 0.00 0.00 179.25 180.04 1u89 h ALA 771 N 0.88 0.78 -0.59 0.00 0.00 -0.26 -0.50 119.26 119.58 1u89 h ALA 771 Ca 0.12 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1u89 h ALA 771 Cb 0.57 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1u89 h ALA 771 CO 0.03 0.31 0.17 1.15 0.00 0.00 0.00 179.25 180.91 1u89 h THR 772 N 0.83 1.23 -0.57 0.00 2.02 -1.20 -1.22 112.91 114.00 1u89 h THR 772 Ca 0.21 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 1u89 h THR 772 Cb 0.06 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1u89 h THR 772 CO -0.03 0.30 0.29 0.00 0.37 0.00 0.00 175.52 176.45 1u89 h ALA 773 N 1.32 0.73 -0.29 6.16 0.00 -0.39 -0.17 119.26 126.63 1u89 h ALA 773 Ca 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1u89 h ALA 773 Cb 0.27 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1u89 h ALA 773 CO -0.01 0.28 0.15 0.28 0.00 0.00 0.00 179.25 179.96 1u89 h VAL 774 N 0.77 1.14 -0.74 0.00 2.07 -0.76 0.11 116.25 118.84 1u89 h VAL 774 Ca 0.20 -0.39 0.05 0.00 0.82 0.00 0.00 66.70 67.38 1u89 h VAL 774 Cb 0.10 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 1u89 h VAL 774 CO -0.03 0.14 0.44 0.74 0.02 0.00 0.00 177.57 178.89 1u89 h THR 775 N 0.34 1.02 -0.26 2.57 2.02 -0.92 0.85 112.91 118.52 1u89 h THR 775 Ca 0.10 -0.28 -0.15 0.00 0.77 0.00 0.00 66.41 66.85 1u89 h THR 775 Cb 0.10 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.64 1u89 h THR 775 CO -0.01 0.15 -0.41 1.56 0.37 0.00 0.00 175.52 177.18 1u89 h GLN 776 N 0.82 0.74 -0.34 6.66 7.50 -0.79 -1.03 115.11 128.67 1u89 h GLN 776 Ca 0.32 -0.44 0.00 0.00 0.50 0.00 0.00 58.65 59.03 1u89 h GLN 776 Cb 0.14 0.04 -0.02 0.00 0.05 0.00 0.00 27.48 27.70 1u89 h GLN 776 CO -0.16 1.07 0.21 0.00 -1.50 0.00 0.00 178.83 178.45 1u89 h ALA 777 N 0.66 0.43 -0.51 3.87 0.00 -0.35 0.14 119.26 123.51 1u89 h ALA 777 Ca 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1u89 h ALA 777 Cb 1.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1u89 h ALA 777 CO 0.09 -0.09 0.19 1.25 0.00 0.00 0.00 179.25 180.69 1u89 h LEU 778 N 0.45 0.71 -0.69 0.00 5.85 -0.83 -0.92 115.31 119.89 1u89 h LEU 778 Ca 0.12 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.69 1u89 h LEU 778 Cb -0.02 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 1u89 h LEU 778 CO -0.02 0.71 0.43 -1.13 -0.34 0.00 0.00 178.44 178.08 1u89 h ASN 779 N 0.68 0.70 0.17 1.25 -0.73 -0.83 0.11 115.58 116.94 1u89 h ASN 779 Ca 0.17 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.33 1u89 h ASN 779 Cb 0.23 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.66 1u89 h ASN 779 CO -0.01 0.49 -0.12 -0.08 -0.37 0.00 0.00 177.43 177.33 1u89 h GLU 780 N 0.84 -0.29 -0.68 6.67 4.57 -0.38 -2.91 114.58 122.40 1u89 h GLU 780 Ca 0.28 0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.44 1u89 h GLU 780 Cb 0.02 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 1u89 h GLU 780 CO -0.11 -0.19 0.27 1.25 -1.18 0.00 0.00 179.01 179.05 1u89 h LEU 781 N -0.30 0.91 0.07 1.64 5.85 -0.81 -2.25 115.31 120.42 1u89 h LEU 781 Ca -0.01 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.60 1u89 h LEU 781 Cb 0.26 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1u89 h LEU 781 CO -0.00 0.81 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.70 1u89 h LEU 782 N 0.98 -0.42 -0.63 2.25 3.38 -0.62 0.65 115.31 120.89 1u89 h LEU 782 Ca 0.23 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 1u89 h LEU 782 Cb 0.19 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1u89 h LEU 782 CO -0.02 -0.22 0.29 1.56 0.09 0.00 0.00 178.44 180.14 1u89 h GLN 783 N -0.28 0.92 -0.14 1.13 4.20 -1.43 -1.72 115.11 117.79 1u89 h GLN 783 Ca 0.03 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 1u89 h GLN 783 Cb 0.31 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1u89 h GLN 783 CO -0.10 0.75 0.06 1.25 -0.67 0.00 0.00 178.83 180.13 1u89 h HIS 784 N 0.87 0.20 -0.38 2.96 2.76 -0.88 -3.14 115.15 117.54 1u89 h HIS 784 Ca 0.21 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.33 1u89 h HIS 784 Cb 0.15 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 1u89 h HIS 784 CO 0.01 0.26 0.07 0.28 -1.30 0.00 0.00 177.93 177.24 1u89 h VAL 785 N 0.09 1.24 -0.02 5.26 2.07 0.42 0.28 116.25 125.59 1u89 h VAL 785 Ca 0.05 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.73 1u89 h VAL 785 Cb 0.13 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1u89 h VAL 785 CO -0.01 0.29 0.03 0.11 0.02 0.00 0.00 177.57 178.01 1u89 h LYS 786 N 0.47 0.00 0.00 1.57 1.57 -1.29 -2.04 116.57 116.85 1u89 h LYS 786 Ca 0.12 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 1u89 h LYS 786 Cb 0.35 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1u89 h LYS 786 CO 0.01 0.00 -1.73 0.00 -0.57 0.00 0.00 179.45 177.16 1u89 n ALA 787 N -2.29 2.09 -3.62 3.86 0.00 -1.13 -4.69 120.51 114.73 1u89 n ALA 787 Ca -0.02 -0.57 -0.26 0.00 0.00 0.00 0.00 53.44 52.58 1u89 n ALA 787 Cb 0.12 -0.23 -0.17 0.00 0.00 0.00 0.00 19.45 19.17 1u89 n ALA 787 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1u89 s HIS 788 N -2.61 0.29 0.08 0.00 3.76 0.98 -3.67 115.29 114.12 1u89 s HIS 788 Ca -0.05 -0.39 0.00 0.00 -0.15 0.00 0.00 55.06 54.47 1u89 s HIS 788 Cb 0.06 -0.74 0.00 0.00 1.11 0.00 0.00 32.58 33.02 1u89 s HIS 788 CO 0.53 -0.53 0.00 0.00 -0.85 0.00 0.00 174.74 173.89 1u89 n ALA 789 N 5.25 0.00 -2.46 -1.40 0.00 -1.23 -3.77 120.51 116.90 1u89 n ALA 789 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.09 1u89 n ALA 789 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1u89 n ALA 789 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1u89 n THR 790 N -2.50 2.54 -2.88 0.00 -2.24 -1.26 -4.73 114.28 103.22 1u89 n THR 790 Ca 0.00 -4.93 -0.10 0.00 -2.27 0.00 0.00 64.05 56.75 1u89 n THR 790 Cb 0.00 -1.28 0.06 0.00 -2.10 0.00 0.00 70.33 67.01 1u89 n THR 790 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u89 n GLY 791 N -0.47 -0.06 7.00 3.38 0.00 -1.26 -4.61 105.19 109.17 1u89 n GLY 791 Ca 0.40 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.92 0.00 -0.95 4.61 0.00 -1.24 -4.93 120.51 115.07 1u89 n ALA 792 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1u89 n ALA 792 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1u89 n ALA 792 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u89 n GLY 793 N 0.00 3.02 0.00 0.00 0.00 -1.26 -1.61 105.19 105.34 1u89 n GLY 793 Ca 0.00 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 13.91 0.17 -3.51 1.61 -0.04 -1.26 -4.93 135.00 140.94 1u89 n PRO 794 Ca 0.00 0.05 -0.21 0.00 -0.04 0.00 0.00 63.50 63.30 1u89 n PRO 794 Cb 0.00 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.02 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 -1.40 -2.26 -0.80 0.55 0.00 -0.63 -4.66 120.51 111.31 1u89 n ALA 795 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1u89 n ALA 795 Cb 0.26 -3.60 0.00 0.00 0.00 0.00 0.00 19.45 16.11 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 -1.41 2.52 3.01 0.00 0.00 -1.26 -4.51 105.19 103.55 1u89 n GLY 796 Ca -0.19 -0.37 -0.06 0.00 0.00 0.00 0.00 46.02 45.40 1u89 n GLY 796 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1u89 s ARG 797 N 0.00 0.70 -0.06 1.61 3.52 -1.26 -4.98 118.95 118.48 1u89 s ARG 797 Ca 0.00 -0.39 0.13 0.00 -0.13 0.00 0.00 55.73 55.34 1u89 s ARG 797 Cb 0.00 -0.23 0.40 0.00 -1.56 0.00 0.00 34.95 33.55 1u89 s ARG 797 CO 0.00 -1.17 1.33 0.66 -0.81 0.00 0.00 175.30 175.31 1u89 n TYR 798 N 4.51 0.66 -0.01 5.12 4.02 -1.26 -4.72 117.16 125.49 1u89 n TYR 798 Ca 0.10 -0.61 -0.10 0.00 -0.01 0.00 0.00 57.90 57.28 1u89 n TYR 798 Cb 0.52 -0.12 -0.05 0.00 -0.02 0.00 0.00 39.34 39.67 1u89 n TYR 798 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 1u89 h ASP 799 N 2.11 -0.11 0.07 7.72 3.58 -1.95 -0.35 116.42 127.49 1u89 h ASP 799 Ca 0.00 0.04 -0.16 0.00 0.42 0.00 0.00 57.03 57.33 1u89 h ASP 799 Cb 0.97 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 42.09 1u89 h ASP 799 CO 0.07 -0.04 -0.57 1.56 -2.88 0.00 0.00 179.24 177.39 1u89 h GLN 800 N -0.00 0.52 0.16 0.28 7.50 -1.98 -1.04 115.11 120.55 1u89 h GLN 800 Ca 0.06 -0.33 -0.01 0.00 0.50 0.00 0.00 58.65 58.87 1u89 h GLN 800 Cb 0.09 0.04 0.00 0.00 0.05 0.00 0.00 27.48 27.66 1u89 h GLN 800 CO -0.12 0.94 -0.08 0.00 -1.50 0.00 0.00 178.83 178.07 1u89 h ALA 801 N 0.99 -0.22 -0.49 3.87 0.00 -1.81 0.09 119.26 121.68 1u89 h ALA 801 Ca 0.00 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1u89 h ALA 801 Cb 1.11 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1u89 h ALA 801 CO 0.10 -0.52 -0.08 1.79 0.00 0.00 0.00 179.25 180.55 1u89 h THR 802 N -0.43 1.26 -0.40 0.00 1.35 -1.07 -1.99 112.91 111.63 1u89 h THR 802 Ca -0.02 -1.18 -0.01 0.00 -0.55 0.00 0.00 66.41 64.65 1u89 h THR 802 Cb 0.34 0.97 -0.02 0.00 -1.73 0.00 0.00 68.15 67.71 1u89 h THR 802 CO 0.04 0.41 0.21 -0.78 -0.25 0.00 0.00 175.52 175.15 1u89 h ASP 803 N 0.80 0.51 -0.20 5.36 3.58 -1.11 -0.20 116.42 125.16 1u89 h ASP 803 Ca 0.14 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 1u89 h ASP 803 Cb 0.59 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 1u89 h ASP 803 CO 0.04 0.46 0.12 0.74 -2.88 0.00 0.00 179.24 177.71 1u89 h THR 804 N 0.51 1.10 0.61 2.25 2.02 -0.77 -1.53 112.91 117.10 1u89 h THR 804 Ca 0.14 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 1u89 h THR 804 Cb 0.07 0.90 0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1u89 h THR 804 CO -0.02 0.09 -0.30 0.40 0.37 0.00 0.00 175.52 176.06 1u89 h ILE 805 N 0.23 0.39 -0.11 3.11 2.04 -1.16 -0.23 117.51 121.79 1u89 h ILE 805 Ca 0.07 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.97 1u89 h ILE 805 Cb 0.05 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 1u89 h ILE 805 CO -0.01 0.00 -0.19 -0.07 0.00 0.00 0.00 178.15 177.88 1u89 h LEU 806 N -0.83 -0.57 -0.74 1.44 3.38 -1.02 0.32 115.31 117.29 1u89 h LEU 806 Ca -0.08 0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1u89 h LEU 806 Cb 0.64 0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 1u89 h LEU 806 CO 0.13 -0.24 0.45 0.74 0.09 0.00 0.00 178.44 179.62 1u89 h THR 807 N -0.25 1.06 0.12 0.22 2.02 -1.24 0.24 112.91 115.09 1u89 h THR 807 Ca 0.09 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1u89 h THR 807 Cb 0.38 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1u89 h THR 807 CO -0.25 0.16 -0.06 0.58 0.37 0.00 0.00 175.52 176.32 1u89 h VAL 808 N 0.86 1.01 -0.69 3.16 2.07 -0.22 0.67 116.25 123.10 1u89 h VAL 808 Ca 0.31 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 1u89 h VAL 808 Cb 0.09 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1u89 h VAL 808 CO -0.14 0.13 0.27 0.74 0.02 0.00 0.00 177.57 178.59 1u89 h THR 809 N -0.42 1.25 0.00 2.57 2.02 -0.15 -1.53 112.91 116.65 1u89 h THR 809 Ca -0.02 -0.78 -0.07 0.00 0.77 0.00 0.00 66.41 66.32 1u89 h THR 809 Cb 0.34 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1u89 h THR 809 CO 0.03 0.31 -0.31 -0.08 0.37 0.00 0.00 175.52 175.84 1u89 h GLU 810 N 0.99 0.00 -0.58 6.66 4.57 -0.49 -2.33 114.58 123.41 1u89 h GLU 810 Ca 0.23 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.34 1u89 h GLU 810 Cb 0.22 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 1u89 h GLU 810 CO -0.02 0.31 0.08 -0.91 -1.18 0.00 0.00 179.01 177.29 1u89 h ASN 811 N 0.00 0.90 -0.20 1.04 2.35 0.14 -2.61 115.58 117.21 1u89 h ASN 811 Ca -0.00 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.51 1u89 h ASN 811 Cb 0.56 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 1u89 h ASN 811 CO 0.04 0.92 0.05 0.40 -1.65 0.00 0.00 177.43 177.19 1u89 h ILE 812 N 0.89 1.15 -0.45 2.81 2.04 -0.85 0.23 117.51 123.33 1u89 h ILE 812 Ca 0.18 -0.54 -0.09 0.00 1.00 0.00 0.00 64.86 65.41 1u89 h ILE 812 Cb 0.41 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1u89 h ILE 812 CO 0.01 0.19 -0.09 -0.26 0.00 0.00 0.00 178.15 178.00 1u89 h PHE 813 N 0.41 0.88 0.02 1.37 0.04 -1.40 0.48 116.94 118.73 1u89 h PHE 813 Ca 0.10 -0.15 -0.21 0.00 2.80 0.00 0.00 57.97 60.50 1u89 h PHE 813 Cb 0.19 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 1u89 h PHE 813 CO 0.01 0.85 -0.95 0.77 -0.60 0.00 0.00 178.31 178.39 1u89 h SER 814 N 0.73 0.23 -0.51 2.17 0.02 -1.10 -3.25 113.55 111.83 1u89 h SER 814 Ca 0.13 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1u89 h SER 814 Cb 0.57 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1u89 h SER 814 CO 0.03 1.05 0.00 -1.20 -1.14 0.00 0.00 176.83 175.58 1u89 n SER 815 N -3.59 5.33 -4.55 3.07 7.64 0.72 -4.92 113.62 117.34 1u89 n SER 815 Ca -0.04 -2.94 -0.35 0.00 1.01 0.00 0.00 58.87 56.55 1u89 n SER 815 Cb 0.86 -0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 63.37 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 -2.76 2.31 0.00 1.43 0.00 0.14 -1.06 119.30 119.36 1u89 s MET 816 Ca 0.52 0.92 0.00 0.00 0.00 0.00 0.00 55.69 57.13 1u89 s MET 816 Cb 0.40 -4.54 0.00 0.00 0.00 0.00 0.00 34.83 30.69 1u89 s MET 816 CO 0.15 -3.13 0.00 0.41 0.00 0.00 0.00 175.02 172.45 1u89 n GLY 817 N 5.97 1.37 3.47 2.11 0.00 -1.26 -5.08 105.19 111.77 1u89 n GLY 817 Ca 0.31 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 1u89 n GLY 817 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u89 s ASP 818 N 0.00 6.26 0.15 1.61 -1.08 -0.23 -4.88 116.67 118.51 1u89 s ASP 818 Ca 0.00 -0.71 -0.17 0.00 -0.52 0.00 0.00 52.55 51.15 1u89 s ASP 818 Cb 0.00 -2.32 0.03 0.00 -1.46 0.00 0.00 42.92 39.16 1u89 s ASP 818 CO 0.00 -0.95 1.76 0.00 0.52 0.00 0.00 175.17 176.51 1u89 h ALA 819 N 9.05 0.39 -0.30 3.66 0.00 -1.84 -0.33 119.26 129.88 1u89 h ALA 819 Ca -0.27 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1u89 h ALA 819 Cb 1.09 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1u89 h ALA 819 CO 0.98 -0.24 0.05 0.78 0.00 0.00 0.00 179.25 180.81 1u89 h GLY 820 N 0.31 0.54 0.96 0.00 0.00 -1.92 -0.39 103.07 102.56 1u89 h GLY 820 Ca 0.14 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 47.04 1u89 h GLY 820 CO -0.12 0.33 -0.01 -2.09 0.00 0.00 0.00 176.54 174.65 1u89 h GLU 821 N 0.32 0.75 -0.49 4.80 4.57 -1.89 0.13 114.58 122.77 1u89 h GLU 821 Ca 0.09 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 58.02 1u89 h GLU 821 Cb 0.35 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 1u89 h GLU 821 CO 0.01 0.83 0.27 0.52 -1.18 0.00 0.00 179.01 179.46 1u89 h MET 822 N 0.58 0.68 -0.49 1.92 2.86 -0.91 0.15 114.93 119.72 1u89 h MET 822 Ca 0.12 -0.08 -0.11 0.00 -2.06 0.00 0.00 59.70 57.57 1u89 h MET 822 Cb 0.50 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1u89 h MET 822 CO 0.02 0.53 -0.14 0.28 1.06 0.00 0.00 176.91 178.67 1u89 h VAL 823 N 0.65 1.27 0.23 -2.22 2.07 -0.98 -0.22 116.25 117.04 1u89 h VAL 823 Ca 0.17 -1.27 0.01 0.00 0.82 0.00 0.00 66.70 66.43 1u89 h VAL 823 Cb 0.05 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1u89 h VAL 823 CO -0.03 0.44 -0.27 -0.09 0.02 0.00 0.00 177.57 177.64 1u89 h ARG 824 N 0.82 -0.53 -0.67 1.57 2.43 -0.11 0.11 114.38 118.00 1u89 h ARG 824 Ca 0.13 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1u89 h ARG 824 Cb 0.68 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.31 1u89 h ARG 824 CO 0.05 -0.35 0.32 1.96 -1.51 0.00 0.00 179.97 180.44 1u89 h GLN 825 N -0.55 0.97 -0.76 0.20 1.08 -0.65 -1.91 115.11 113.48 1u89 h GLN 825 Ca 0.00 -0.14 0.08 0.00 -1.45 0.00 0.00 58.65 57.14 1u89 h GLN 825 Cb 0.52 -0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 27.73 1u89 h GLN 825 CO -0.08 0.77 0.50 0.00 -0.95 0.00 0.00 178.83 179.06 1u89 h ALA 826 N 1.15 1.72 -0.24 3.87 0.00 -0.73 0.35 119.26 125.37 1u89 h ALA 826 Ca 0.23 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1u89 h ALA 826 Cb 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1u89 h ALA 826 CO -0.03 0.15 -0.04 0.00 0.00 0.00 0.00 179.25 179.33 1u89 h ARG 827 N 0.76 0.46 -0.22 0.00 3.08 -0.24 -1.72 114.38 116.49 1u89 h ARG 827 Ca 0.34 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 60.16 1u89 h ARG 827 Cb 0.33 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1u89 h ARG 827 CO -0.12 0.66 -0.14 0.82 -1.07 0.00 0.00 179.97 180.12 1u89 h ILE 828 N 0.21 1.21 -0.12 2.04 2.04 -0.60 -1.82 117.51 120.47 1u89 h ILE 828 Ca 0.06 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.98 1u89 h ILE 828 Cb 0.48 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1u89 h ILE 828 CO 0.02 0.30 0.08 0.25 0.00 0.00 0.00 178.15 178.80 1u89 h LEU 829 N 0.34 0.13 -1.14 1.44 5.85 -0.12 0.19 115.31 122.01 1u89 h LEU 829 Ca 0.07 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1u89 h LEU 829 Cb 0.46 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 1u89 h LEU 829 CO 0.03 0.10 0.50 0.00 -0.34 0.00 0.00 178.44 178.73 1u89 h ALA 830 N 1.04 1.36 -0.05 1.25 0.00 -0.94 -0.45 119.26 121.48 1u89 h ALA 830 Ca 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1u89 h ALA 830 Cb -0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 1u89 h ALA 830 CO -0.01 0.56 0.01 0.37 0.00 0.00 0.00 179.25 180.18 1u89 h GLN 831 N 1.11 0.08 -0.01 0.00 5.75 -0.93 -2.76 115.11 118.35 1u89 h GLN 831 Ca 0.29 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.77 1u89 h GLN 831 Cb -0.07 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.47 1u89 h GLN 831 CO -0.06 0.30 0.00 0.00 -2.65 0.00 0.00 178.83 176.42 1u89 h ALA 832 N 0.77 0.01 -0.10 3.38 0.00 -0.17 -3.04 119.26 120.12 1u89 h ALA 832 Ca 0.01 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1u89 h ALA 832 Cb 0.26 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1u89 h ALA 832 CO 0.00 -0.36 -0.21 1.15 0.00 0.00 0.00 179.25 179.84 1u89 h THR 833 N -0.26 1.20 -0.84 0.00 2.02 -1.19 -1.64 112.91 112.19 1u89 h THR 833 Ca 0.00 -0.91 -0.01 0.00 0.77 0.00 0.00 66.41 66.26 1u89 h THR 833 Cb 0.27 1.35 -0.04 0.00 -1.74 0.00 0.00 68.15 68.00 1u89 h THR 833 CO 0.00 0.27 0.48 0.28 0.37 0.00 0.00 175.52 176.92 1u89 h SER 834 N 0.15 1.03 -0.26 4.18 0.02 -1.37 0.22 113.55 117.52 1u89 h SER 834 Ca 0.03 -0.09 -0.18 0.00 -0.84 0.00 0.00 61.79 60.71 1u89 h SER 834 Cb 0.46 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1u89 h SER 834 CO 0.03 0.82 -0.54 -0.78 -1.14 0.00 0.00 176.83 175.22 1u89 h ASP 835 N 1.16 0.92 0.13 3.07 3.58 -1.38 -1.98 116.42 121.92 1u89 h ASP 835 Ca 0.30 -0.55 -0.00 0.00 0.42 0.00 0.00 57.03 57.20 1u89 h ASP 835 Cb 0.00 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.78 1u89 h ASP 835 CO -0.05 1.30 -0.09 0.25 -2.88 0.00 0.00 179.24 177.76 1u89 h LEU 836 N 0.58 -0.24 -0.94 2.28 5.85 -0.76 -0.98 115.31 121.09 1u89 h LEU 836 Ca 0.00 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 1u89 h LEU 836 Cb 1.15 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 1u89 h LEU 836 CO 0.12 -0.15 -0.09 0.58 -0.34 0.00 0.00 178.44 178.56 1u89 h VAL 837 N -0.23 1.24 -0.55 1.05 2.07 -0.64 -1.95 116.25 117.25 1u89 h VAL 837 Ca -0.01 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 1u89 h VAL 837 Cb 0.20 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1u89 h VAL 837 CO -0.00 0.36 0.31 -1.13 0.02 0.00 0.00 177.57 177.13 1u89 h ASN 838 N 0.62 0.67 -0.31 0.57 -1.24 -1.07 0.15 115.58 114.97 1u89 h ASN 838 Ca 0.11 -0.08 -0.00 0.00 0.71 0.00 0.00 56.30 57.04 1u89 h ASN 838 Cb 0.52 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.39 1u89 h ASN 838 CO 0.03 0.55 0.18 0.00 -1.29 0.00 0.00 177.43 176.90 1u89 h ALA 839 N 1.14 0.39 -0.75 1.57 0.00 -0.79 -2.04 119.26 118.79 1u89 h ALA 839 Ca 0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1u89 h ALA 839 Cb 0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1u89 h ALA 839 CO -0.03 -0.09 0.41 0.82 0.00 0.00 0.00 179.25 180.35 1u89 h ILE 840 N 0.38 1.23 -0.16 0.00 2.04 -1.03 0.00 117.51 119.97 1u89 h ILE 840 Ca 0.11 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.42 1u89 h ILE 840 Cb 0.04 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.33 1u89 h ILE 840 CO -0.02 0.26 -0.04 0.11 0.00 0.00 0.00 178.15 178.45 1u89 h LYS 841 N 1.04 -0.00 -0.48 2.37 1.79 -0.42 0.32 116.57 121.19 1u89 h LYS 841 Ca 0.26 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.64 1u89 h LYS 841 Cb 0.05 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 1u89 h LYS 841 CO -0.04 -0.00 -0.05 0.00 -1.08 0.00 0.00 179.45 178.27 1u89 h ALA 842 N 1.16 0.66 -0.28 3.86 0.00 -1.14 -1.99 119.26 121.52 1u89 h ALA 842 Ca 0.08 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1u89 h ALA 842 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1u89 h ALA 842 CO -0.17 0.51 0.05 -0.44 0.00 0.00 0.00 179.25 179.21 1u89 h ASP 843 N 0.74 0.44 0.12 0.00 3.32 -0.61 -1.79 116.42 118.64 1u89 h ASP 843 Ca 0.13 -0.25 -0.10 0.00 0.02 0.00 0.00 57.03 56.83 1u89 h ASP 843 Cb 0.59 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1u89 h ASP 843 CO 0.04 0.58 -0.34 0.00 -1.72 0.00 0.00 179.24 177.79 1u89 h ALA 844 N 0.88 1.14 -0.48 3.45 0.00 -0.35 -1.62 119.26 122.27 1u89 h ALA 844 Ca 0.09 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1u89 h ALA 844 Cb 0.32 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1u89 h ALA 844 CO 0.00 0.55 -0.03 1.49 0.00 0.00 0.00 179.25 181.27 1u89 h GLU 845 N 0.27 0.83 -0.56 0.00 4.57 -1.18 -2.33 114.58 116.17 1u89 h GLU 845 Ca 0.03 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 57.97 1u89 h GLU 845 Cb 0.73 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 1u89 h GLU 845 CO 0.06 0.85 0.00 0.41 -1.18 0.00 0.00 179.01 179.15 1u89 n GLY 846 N -0.55 1.34 3.88 1.92 0.00 -0.69 -4.90 105.19 106.19 1u89 n GLY 846 Ca 0.02 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 1u89 n GLY 846 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u89 s GLU 847 N -1.67 1.44 -0.19 1.61 0.41 -0.67 -5.02 118.70 114.61 1u89 s GLU 847 Ca 0.24 0.02 0.09 0.00 -0.41 0.00 0.00 54.97 54.91 1u89 s GLU 847 Cb 0.15 -1.90 -0.18 0.00 -1.78 0.00 0.00 34.13 30.42 1u89 s GLU 847 CO 0.11 -1.94 -0.05 0.43 -0.49 0.00 0.00 175.26 173.32 1u89 n SER 848 N -3.53 1.49 -4.87 -0.19 7.64 -1.26 -4.97 113.62 107.92 1u89 n SER 848 Ca 0.09 -0.05 -0.36 0.00 1.01 0.00 0.00 58.87 59.56 1u89 n SER 848 Cb 0.60 0.35 -0.06 0.00 -1.01 0.00 0.00 64.21 64.10 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 -5.55 6.51 -0.05 6.43 2.15 -1.26 -5.01 116.67 119.89 1u89 s ASP 849 Ca -0.18 0.60 -0.24 0.00 0.43 0.00 0.00 52.55 53.16 1u89 s ASP 849 Cb 0.06 -2.11 -0.23 0.00 -0.30 0.00 0.00 42.92 40.34 1u89 s ASP 849 CO 0.61 0.33 1.05 -0.07 -0.17 0.00 0.00 175.17 176.92 1u89 h LEU 850 N 4.52 0.20 -0.30 -1.34 3.38 -1.97 -2.54 115.31 117.27 1u89 h LEU 850 Ca -0.52 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 56.70 1u89 h LEU 850 Cb 1.21 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1u89 h LEU 850 CO 0.62 0.92 0.19 -0.33 0.09 0.00 0.00 178.44 179.93 1u89 h GLU 851 N -0.50 0.40 -0.83 1.13 4.39 -1.99 0.14 114.58 117.32 1u89 h GLU 851 Ca -0.02 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.66 1u89 h GLU 851 Cb 0.95 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.47 1u89 h GLU 851 CO 0.04 0.28 0.55 -0.97 -1.16 0.00 0.00 179.01 177.75 1u89 h ASN 852 N 0.39 0.93 0.04 1.42 -1.24 -2.00 0.57 115.58 115.70 1u89 h ASN 852 Ca 0.11 -0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.10 1u89 h ASN 852 Cb -0.02 -0.23 -0.00 0.00 0.73 0.00 0.00 38.32 38.80 1u89 h ASN 852 CO -0.02 0.67 -0.03 -1.28 -1.29 0.00 0.00 177.43 175.48 1u89 h SER 853 N 1.10 -0.07 -0.52 1.15 0.87 -0.94 -0.19 113.55 114.96 1u89 h SER 853 Ca 0.31 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.91 1u89 h SER 853 Cb -0.10 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 61.84 1u89 h SER 853 CO -0.08 -0.04 0.28 0.03 -0.53 0.00 0.00 176.83 176.48 1u89 h ARG 854 N -0.07 0.52 -0.73 2.24 3.08 -0.34 -0.83 114.38 118.25 1u89 h ARG 854 Ca -0.00 -0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.12 1u89 h ARG 854 Cb 0.06 -0.12 -0.07 0.00 0.08 0.00 0.00 29.97 29.92 1u89 h ARG 854 CO -0.00 0.35 0.37 0.87 -1.07 0.00 0.00 179.97 180.48 1u89 h LYS 855 N 0.54 0.60 -0.02 0.04 6.56 -0.65 -0.28 116.57 123.36 1u89 h LYS 855 Ca 0.22 -0.04 -0.00 0.00 -1.06 0.00 0.00 60.65 59.77 1u89 h LYS 855 Cb 0.10 -0.13 -0.00 0.00 -0.57 0.00 0.00 32.23 31.63 1u89 h LYS 855 CO -0.14 0.39 0.00 -0.07 -2.06 0.00 0.00 179.45 177.58 1u89 h LEU 856 N 0.61 0.03 -0.52 2.94 3.38 0.25 -1.75 115.31 120.25 1u89 h LEU 856 Ca 0.36 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 1u89 h LEU 856 Cb 0.40 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1u89 h LEU 856 CO -0.28 0.24 -0.43 -0.07 0.09 0.00 0.00 178.44 177.99 1u89 h LEU 857 N -0.19 0.00 -0.22 1.67 3.38 -1.02 -1.31 115.31 117.62 1u89 h LEU 857 Ca 0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 1u89 h LEU 857 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1u89 h LEU 857 CO 0.00 0.43 -0.56 0.28 0.09 0.00 0.00 178.44 178.69 1u89 h SER 858 N 0.00 0.87 -0.60 -0.43 0.02 -0.98 -0.25 113.55 112.17 1u89 h SER 858 Ca -0.00 -0.57 -0.04 0.00 -0.84 0.00 0.00 61.79 60.33 1u89 h SER 858 Cb 1.12 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.38 1u89 h SER 858 CO 0.06 1.28 0.20 0.00 -1.14 0.00 0.00 176.83 177.23 1u89 h ALA 859 N 0.61 0.79 -0.04 3.77 0.00 -1.12 -2.04 119.26 121.24 1u89 h ALA 859 Ca -0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1u89 h ALA 859 Cb 1.17 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1u89 h ALA 859 CO 0.12 0.44 -0.22 0.00 0.00 0.00 0.00 179.25 179.60 1u89 h ALA 860 N 1.07 1.57 -0.38 0.00 0.00 -1.20 -1.08 119.26 119.24 1u89 h ALA 860 Ca 0.20 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1u89 h ALA 860 Cb 0.26 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1u89 h ALA 860 CO -0.01 0.32 0.15 -0.22 0.00 0.00 0.00 179.25 179.49 1u89 h LYS 861 N 0.06 0.57 -0.63 0.00 3.64 -0.36 -0.41 116.57 119.43 1u89 h LYS 861 Ca 0.01 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 1u89 h LYS 861 Cb 0.42 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1u89 h LYS 861 CO 0.03 0.55 0.23 0.82 -2.27 0.00 0.00 179.45 178.81 1u89 h ILE 862 N 0.47 1.24 0.13 2.00 2.04 -0.96 -0.35 117.51 122.08 1u89 h ILE 862 Ca 0.13 -0.77 0.02 0.00 1.00 0.00 0.00 64.86 65.23 1u89 h ILE 862 Cb 0.19 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 1u89 h ILE 862 CO -0.01 0.30 -0.38 -0.07 0.00 0.00 0.00 178.15 177.99 1u89 h LEU 863 N 0.89 -1.11 -0.20 1.44 -0.00 -0.85 0.17 115.31 115.66 1u89 h LEU 863 Ca 0.21 0.12 -0.02 0.00 -0.00 0.00 0.00 57.88 58.19 1u89 h LEU 863 Cb 0.23 0.42 -0.01 0.00 -0.00 0.00 0.00 40.66 41.31 1u89 h LEU 863 CO -0.01 -0.46 0.04 0.00 -0.00 0.00 0.00 178.44 178.01 1u89 h ALA 864 N -0.08 0.26 -0.35 1.53 0.00 -0.99 -2.07 119.26 117.56 1u89 h ALA 864 Ca 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1u89 h ALA 864 Cb 0.65 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1u89 h ALA 864 CO -0.22 -0.09 0.11 0.22 0.00 0.00 0.00 179.25 179.27 1u89 h ASP 865 N 0.13 0.51 -0.29 0.00 3.58 -0.95 -1.19 116.42 118.21 1u89 h ASP 865 Ca 0.06 -0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.28 1u89 h ASP 865 Cb 0.28 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 1u89 h ASP 865 CO 0.00 0.58 0.11 0.00 -2.88 0.00 0.00 179.24 177.05 1u89 h ALA 866 N 0.95 1.52 -0.39 -0.78 0.00 -0.65 0.07 119.26 119.97 1u89 h ALA 866 Ca 0.11 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1u89 h ALA 866 Cb 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1u89 h ALA 866 CO -0.00 0.36 0.00 1.15 0.00 0.00 0.00 179.25 180.76 1u89 h THR 867 N 0.51 1.26 -0.71 0.00 2.02 -0.81 0.27 112.91 115.45 1u89 h THR 867 Ca 0.12 -1.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.24 1u89 h THR 867 Cb 0.16 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 1u89 h THR 867 CO -0.01 0.34 0.22 0.00 0.37 0.00 0.00 175.52 176.45 1u89 h ALA 868 N 0.88 0.93 -0.37 6.16 0.00 -0.68 0.17 119.26 126.37 1u89 h ALA 868 Ca 0.11 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1u89 h ALA 868 Cb 0.47 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1u89 h ALA 868 CO 0.02 0.61 -0.01 0.87 0.00 0.00 0.00 179.25 180.74 1u89 h LYS 869 N 1.05 0.58 -0.06 0.00 6.56 -0.77 0.12 116.57 124.07 1u89 h LYS 869 Ca 0.23 -0.14 -0.01 0.00 -1.06 0.00 0.00 60.65 59.67 1u89 h LYS 869 Cb 0.30 -0.08 -0.00 0.00 -0.57 0.00 0.00 32.23 31.88 1u89 h LYS 869 CO -0.01 0.62 -0.02 1.98 -2.06 0.00 0.00 179.45 179.96 1u89 h MET 870 N 0.55 0.11 -0.80 3.15 4.05 0.22 0.12 114.93 122.33 1u89 h MET 870 Ca 0.11 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.47 1u89 h MET 870 Cb 0.38 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.13 1u89 h MET 870 CO 0.01 0.45 0.40 -0.24 0.23 0.00 0.00 176.91 177.77 1u89 h VAL 871 N -0.24 1.24 -0.34 -5.77 3.04 -0.48 0.19 116.25 113.89 1u89 h VAL 871 Ca 0.01 -0.66 -0.13 0.00 -1.01 0.00 0.00 66.70 64.92 1u89 h VAL 871 Cb 0.42 0.20 -0.01 0.00 -2.01 0.00 0.00 31.29 29.88 1u89 h VAL 871 CO 0.01 0.29 -0.31 -0.08 -1.01 0.00 0.00 177.57 176.47 1u89 h GLU 872 N 1.13 0.73 0.04 4.17 4.57 -0.68 -1.93 114.58 122.61 1u89 h GLU 872 Ca 0.28 -0.33 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1u89 h GLU 872 Cb 0.08 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1u89 h GLU 872 CO -0.04 0.94 -0.02 0.00 -1.18 0.00 0.00 179.01 178.71 1u89 h ALA 873 N 1.04 -0.06 -0.89 2.92 0.00 -0.26 -2.19 119.26 119.82 1u89 h ALA 873 Ca 0.07 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1u89 h ALA 873 Cb 0.82 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1u89 h ALA 873 CO 0.07 -0.25 0.58 0.00 0.00 0.00 0.00 179.25 179.65 1u89 h ALA 874 N 0.28 1.14 0.00 0.00 0.00 -0.65 0.14 119.26 120.16 1u89 h ALA 874 Ca -0.01 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1u89 h ALA 874 Cb 0.55 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1u89 h ALA 874 CO 0.01 0.50 -0.38 0.87 0.00 0.00 0.00 179.25 180.24 1u89 h LYS 875 N 1.17 0.00 0.00 0.00 1.57 -1.42 -1.34 116.57 116.55 1u89 h LYS 875 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1u89 h LYS 875 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1u89 h LYS 875 CO -0.08 0.38 -0.59 0.41 -0.57 0.00 0.00 179.45 179.00 1u89 n GLY 876 N 0.43 -1.39 0.26 3.86 0.00 -0.57 -3.84 105.19 103.93 1u89 n GLY 876 Ca 0.00 -0.26 0.08 0.00 0.00 0.00 0.00 46.02 45.84 1u89 n GLY 876 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u89 n ALA 877 N -1.76 2.55 -1.40 4.61 0.00 0.37 -4.76 120.51 120.12 1u89 n ALA 877 Ca 0.04 -2.63 -0.36 0.00 0.00 0.00 0.00 53.44 50.48 1u89 n ALA 877 Cb 0.42 -0.39 -0.04 0.00 0.00 0.00 0.00 19.45 19.43 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 -1.20 7.31 -0.41 0.00 0.00 -0.52 -4.76 120.51 120.93 1u89 n ALA 878 Ca 0.15 -3.43 0.00 0.00 0.00 0.00 0.00 53.44 50.16 1u89 n ALA 878 Cb 0.67 -3.14 0.00 0.00 0.00 0.00 0.00 19.45 16.98 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 3.09 0.00 -2.62 0.00 0.00 -1.26 -4.52 120.51 115.19 1u89 n ALA 879 Ca 0.72 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.96 1u89 n ALA 879 Cb 0.31 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.64 1u89 n ALA 879 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1u89 s HIS 880 N 0.00 1.40 -0.44 0.00 0.09 -1.26 -5.03 115.29 110.05 1u89 s HIS 880 Ca 0.00 -0.47 -0.05 0.00 -0.00 0.00 0.00 55.06 54.55 1u89 s HIS 880 Cb 0.00 -0.77 -0.11 0.00 -0.00 0.00 0.00 32.58 31.70 1u89 s HIS 880 CO 0.00 0.11 2.28 -0.35 -0.00 0.00 0.00 174.74 176.78 1u89 n PRO 881 N 1.08 1.65 -0.34 8.40 -0.04 -1.26 -4.15 135.00 140.35 1u89 n PRO 881 Ca -0.20 -1.01 0.08 0.00 -0.04 0.00 0.00 63.50 62.33 1u89 n PRO 881 Cb 0.54 -2.10 0.24 0.00 -0.04 0.00 0.00 33.50 32.14 1u89 n PRO 881 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1u89 n ASP 882 N 3.36 3.65 -4.74 3.54 2.03 -1.26 -5.00 116.55 118.13 1u89 n ASP 882 Ca 0.35 -2.23 -0.41 0.00 0.52 0.00 0.00 54.79 53.03 1u89 n ASP 882 Cb 0.36 -0.40 -0.03 0.00 -0.72 0.00 0.00 41.12 40.33 1u89 n ASP 882 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1u89 s SER 883 N -1.11 7.04 -0.94 1.67 1.04 -1.26 -4.97 113.70 115.18 1u89 s SER 883 Ca 0.37 2.28 -0.15 0.00 0.48 0.00 0.00 55.95 58.93 1u89 s SER 883 Cb 0.22 -2.61 0.20 0.00 0.10 0.00 0.00 66.02 63.93 1u89 s SER 883 CO 0.20 -0.40 0.99 -1.61 0.98 0.00 0.00 173.24 173.40 1u89 s GLU 884 N -0.27 3.74 -0.20 4.02 0.41 -1.26 -5.01 118.70 120.12 1u89 s GLU 884 Ca 0.53 -2.39 -0.27 0.00 -0.41 0.00 0.00 54.97 52.43 1u89 s GLU 884 Cb -0.34 -4.65 -0.00 0.00 -1.78 0.00 0.00 34.13 27.36 1u89 s GLU 884 CO 0.37 -1.47 0.94 -2.00 -0.49 0.00 0.00 175.26 172.62 1u89 s GLU 885 N 0.80 4.27 -0.09 1.61 -6.30 -1.26 -4.87 118.70 112.87 1u89 s GLU 885 Ca 0.27 1.20 0.25 0.00 -2.50 0.00 0.00 54.97 54.18 1u89 s GLU 885 Cb -0.08 -3.61 0.46 0.00 0.00 0.00 0.00 34.13 30.89 1u89 s GLU 885 CO -0.08 -0.50 1.15 1.04 0.02 0.00 0.00 175.26 176.89 1u89 n GLN 886 N 5.85 0.58 0.00 4.30 6.02 -1.26 -5.09 117.38 127.78 1u89 n GLN 886 Ca 0.09 -2.50 0.00 0.00 -0.01 0.00 0.00 57.00 54.57 1u89 n GLN 886 Cb 0.47 -0.54 0.00 0.00 1.02 0.00 0.00 30.24 31.20 1u89 n GLN 886 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1u89 n GLN 887 N 0.13 0.00 -2.70 -1.09 1.13 -1.26 -3.04 117.38 110.55 1u89 n GLN 887 Ca 0.07 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 55.07 1u89 n GLN 887 Cb 1.03 0.00 0.09 0.00 0.11 0.00 0.00 30.24 31.48 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 8.83 1.26 0.00 -1.09 6.02 -1.26 -5.22 117.38 125.93 1u89 n GLN 888 Ca 0.00 -2.19 0.09 0.00 -0.01 0.00 0.00 57.00 54.89 1u89 n GLN 888 Cb 0.00 -0.37 0.08 0.00 1.02 0.00 0.00 30.24 30.96 1u89 n GLN 888 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59