#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u89 n SER 752 N 0.00 1.95 -3.64 1.61 7.64 -1.26 -5.08 113.62 114.85 1u89 n SER 752 Ca 0.00 0.31 -0.03 0.00 1.01 0.00 0.00 58.87 60.16 1u89 n SER 752 Cb 0.00 -0.80 -0.05 0.00 -1.01 0.00 0.00 64.21 62.35 1u89 n SER 752 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1u89 s HIS 753 N -2.50 -0.07 -1.34 1.43 5.04 -1.26 -5.06 115.29 111.53 1u89 s HIS 753 Ca -0.37 0.13 -0.12 0.00 -1.54 0.00 0.00 55.06 53.16 1u89 s HIS 753 Cb 0.13 0.49 0.11 0.00 0.04 0.00 0.00 32.58 33.35 1u89 s HIS 753 CO 0.51 -0.05 1.95 -0.12 -2.34 0.00 0.00 174.74 174.69 1u89 n MET 754 N 0.86 3.27 -0.06 2.88 0.00 -1.26 -4.50 117.12 118.31 1u89 n MET 754 Ca -0.04 -3.19 -0.11 0.00 -0.00 0.00 0.00 57.70 54.36 1u89 n MET 754 Cb 0.58 -3.12 -0.04 0.00 0.00 0.00 0.00 33.22 30.64 1u89 n MET 754 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1u89 n GLN 755 N 5.26 0.35 -1.19 2.12 -0.00 -1.26 -4.71 117.38 117.96 1u89 n GLN 755 Ca 0.45 0.15 -0.14 0.00 -0.00 0.00 0.00 57.00 57.45 1u89 n GLN 755 Cb 0.39 -1.11 0.14 0.00 -0.00 0.00 0.00 30.24 29.66 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 -3.98 4.86 -2.40 2.61 0.00 -1.26 -4.46 120.51 115.87 1u89 n ALA 756 Ca -0.20 -3.34 0.04 0.00 0.00 0.00 0.00 53.44 49.94 1u89 n ALA 756 Cb 0.50 -0.83 0.03 0.00 0.00 0.00 0.00 19.45 19.15 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 -1.00 2.38 0.65 0.00 0.00 -1.26 -4.78 120.51 116.49 1u89 n ALA 757 Ca 0.41 -2.25 0.07 0.00 0.00 0.00 0.00 53.44 51.68 1u89 n ALA 757 Cb 0.99 -0.70 -0.00 0.00 0.00 0.00 0.00 19.45 19.74 1u89 n ALA 757 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1u89 n THR 758 N 0.37 0.00 -4.29 0.00 -1.04 -1.26 -4.99 114.28 103.07 1u89 n THR 758 Ca 0.06 -0.34 -0.12 0.00 -2.04 0.00 0.00 64.05 61.61 1u89 n THR 758 Cb 1.08 1.17 -0.03 0.00 -1.82 0.00 0.00 70.33 70.73 1u89 n THR 758 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1u89 n GLU 759 N -0.20 1.52 -1.83 -2.82 -0.58 -1.26 -5.03 120.64 110.44 1u89 n GLU 759 Ca 0.06 -1.40 -0.40 0.00 -0.42 0.00 0.00 57.16 54.99 1u89 n GLU 759 Cb 0.31 0.38 -0.01 0.00 -0.57 0.00 0.00 31.44 31.55 1u89 n GLU 759 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1u89 n ASP 760 N -1.13 7.18 -2.71 1.62 2.03 -1.26 -4.52 116.55 117.76 1u89 n ASP 760 Ca -0.08 -2.94 -0.14 0.00 0.52 0.00 0.00 54.79 52.16 1u89 n ASP 760 Cb 0.24 -1.48 0.06 0.00 -0.72 0.00 0.00 41.12 39.23 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 2.75 -0.12 0.27 0.27 0.00 -1.26 -4.80 105.19 102.30 1u89 n GLY 761 Ca 0.61 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.69 1u89 n GLY 761 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1u89 h GLN 762 N -1.55 0.00 -0.84 1.61 5.75 -1.87 0.15 115.11 118.36 1u89 h GLN 762 Ca -0.41 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.06 1u89 h GLN 762 Cb 1.25 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.76 1u89 h GLN 762 CO 0.37 0.00 0.42 -0.07 -2.65 0.00 0.00 178.83 176.89 1u89 h LEU 763 N 0.00 1.08 0.09 -2.39 3.38 -1.90 0.70 115.31 116.27 1u89 h LEU 763 Ca 0.00 -0.12 -0.29 0.00 0.09 0.00 0.00 57.88 57.56 1u89 h LEU 763 Cb 0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1u89 h LEU 763 CO -0.00 0.90 -1.48 -0.07 0.09 0.00 0.00 178.44 177.87 1u89 h LEU 764 N 1.19 0.30 0.10 1.67 4.07 -1.54 0.05 115.31 121.15 1u89 h LEU 764 Ca 0.29 -0.42 -0.00 0.00 0.08 0.00 0.00 57.88 57.83 1u89 h LEU 764 Cb 0.09 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1u89 h LEU 764 CO -0.04 1.35 -0.05 0.03 -1.08 0.00 0.00 178.44 178.65 1u89 h ARG 765 N 0.05 -0.13 0.00 1.13 2.47 -0.81 -2.61 114.38 114.48 1u89 h ARG 765 Ca -0.22 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.51 1u89 h ARG 765 Cb 1.98 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 30.33 1u89 h ARG 765 CO 0.15 0.01 -0.14 0.78 0.56 0.00 0.00 179.97 181.33 1u89 h GLY 766 N -0.25 0.00 0.96 0.04 0.00 -1.00 -3.34 103.07 99.49 1u89 h GLY 766 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1u89 h GLY 766 CO 0.02 0.00 0.20 -2.08 0.00 0.00 0.00 176.54 174.68 1u89 h VAL 767 N -0.31 1.15 -0.43 4.60 2.07 -1.48 -0.90 116.25 120.95 1u89 h VAL 767 Ca 0.00 -0.40 0.08 0.00 0.82 0.00 0.00 66.70 67.20 1u89 h VAL 767 Cb 0.14 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 30.58 1u89 h VAL 767 CO 0.00 0.16 0.03 1.23 0.02 0.00 0.00 177.57 179.01 1u89 h GLY 768 N 0.47 0.47 0.81 2.17 0.00 -0.65 0.55 103.07 106.89 1u89 h GLY 768 Ca 0.13 0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.45 1u89 h GLY 768 CO -0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 176.54 176.40 1u89 h ALA 769 N 1.37 0.27 -0.63 3.60 0.00 -1.24 -1.69 119.26 120.93 1u89 h ALA 769 Ca 0.22 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1u89 h ALA 769 Cb 0.30 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1u89 h ALA 769 CO -0.33 0.02 0.12 0.00 0.00 0.00 0.00 179.25 179.06 1u89 h ALA 770 N 0.76 0.83 -0.26 0.00 0.00 -0.77 -1.80 119.26 118.01 1u89 h ALA 770 Ca 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1u89 h ALA 770 Cb 0.45 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1u89 h ALA 770 CO 0.02 0.57 0.10 0.00 0.00 0.00 0.00 179.25 179.94 1u89 h ALA 771 N 1.04 0.33 0.00 0.00 0.00 0.13 -2.45 119.26 118.31 1u89 h ALA 771 Ca 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1u89 h ALA 771 Cb 0.41 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1u89 h ALA 771 CO 0.01 -0.07 -0.05 1.15 0.00 0.00 0.00 179.25 180.29 1u89 h THR 772 N 0.26 1.04 -0.46 0.00 2.02 -1.14 -0.60 112.91 114.04 1u89 h THR 772 Ca 0.08 -0.19 -0.06 0.00 0.77 0.00 0.00 66.41 67.02 1u89 h THR 772 Cb 0.19 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1u89 h THR 772 CO -0.01 0.05 0.03 0.00 0.37 0.00 0.00 175.52 175.97 1u89 h ALA 773 N 1.95 1.20 -0.10 6.16 0.00 -0.86 0.92 119.26 128.53 1u89 h ALA 773 Ca -0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1u89 h ALA 773 Cb 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1u89 h ALA 773 CO 0.01 0.53 -0.21 0.28 0.00 0.00 0.00 179.25 179.86 1u89 h VAL 774 N 0.69 1.40 -0.76 0.00 2.07 -0.89 -0.43 116.25 118.33 1u89 h VAL 774 Ca 0.14 -1.51 0.07 0.00 0.82 0.00 0.00 66.70 66.22 1u89 h VAL 774 Cb 0.38 2.14 -0.06 0.00 -1.52 0.00 0.00 31.29 32.23 1u89 h VAL 774 CO 0.01 0.44 0.44 0.74 0.02 0.00 0.00 177.57 179.21 1u89 h THR 775 N -0.13 0.97 -0.05 2.57 2.02 -1.09 0.26 112.91 117.46 1u89 h THR 775 Ca 0.00 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1u89 h THR 775 Cb 0.81 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1u89 h THR 775 CO 0.05 0.14 0.01 1.56 0.37 0.00 0.00 175.52 177.65 1u89 h GLN 776 N 0.78 0.08 -0.65 6.66 4.20 -0.79 -1.96 115.11 123.43 1u89 h GLN 776 Ca 0.34 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 59.00 1u89 h GLN 776 Cb 0.23 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 1u89 h GLN 776 CO -0.20 0.31 0.28 0.00 -0.67 0.00 0.00 178.83 178.55 1u89 h ALA 777 N 0.77 0.84 -0.18 3.87 0.00 -0.62 0.17 119.26 124.12 1u89 h ALA 777 Ca 0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1u89 h ALA 777 Cb 0.27 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1u89 h ALA 777 CO 0.00 0.44 0.10 1.25 0.00 0.00 0.00 179.25 181.05 1u89 h LEU 778 N 0.91 0.22 -1.00 0.00 5.85 -0.48 0.19 115.31 121.01 1u89 h LEU 778 Ca 0.22 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 1u89 h LEU 778 Cb 0.17 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1u89 h LEU 778 CO -0.02 0.22 -0.21 0.78 -0.34 0.00 0.00 178.44 178.86 1u89 h ASN 779 N 0.20 0.47 0.46 1.25 2.35 -1.11 0.11 115.58 119.32 1u89 h ASN 779 Ca 0.06 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 1u89 h ASN 779 Cb 0.04 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1u89 h ASN 779 CO -0.01 0.69 -0.22 -0.08 -1.65 0.00 0.00 177.43 176.16 1u89 h GLU 780 N 0.43 -0.59 -0.86 0.81 4.57 -0.32 -0.67 114.58 117.94 1u89 h GLU 780 Ca 0.07 0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.26 1u89 h GLU 780 Cb 0.61 0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 29.29 1u89 h GLU 780 CO 0.04 -0.38 0.42 1.25 -1.18 0.00 0.00 179.01 179.17 1u89 h LEU 781 N -0.65 1.11 0.27 1.64 5.85 -0.76 -0.81 115.31 121.96 1u89 h LEU 781 Ca -0.06 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1u89 h LEU 781 Cb 0.49 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1u89 h LEU 781 CO 0.10 0.93 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.81 1u89 h LEU 782 N 1.22 -0.66 -1.02 2.25 3.38 -0.66 0.43 115.31 120.24 1u89 h LEU 782 Ca 0.30 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.38 1u89 h LEU 782 Cb 0.10 0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 1u89 h LEU 782 CO -0.04 -0.37 0.65 1.56 0.09 0.00 0.00 178.44 180.33 1u89 h GLN 783 N -0.55 1.15 -0.25 1.13 7.50 -0.89 0.45 115.11 123.66 1u89 h GLN 783 Ca -0.01 -0.07 -0.07 0.00 0.50 0.00 0.00 58.65 59.00 1u89 h GLN 783 Cb 0.50 -0.26 -0.01 0.00 0.05 0.00 0.00 27.48 27.76 1u89 h GLN 783 CO -0.04 0.76 -0.10 1.25 -1.50 0.00 0.00 178.83 179.20 1u89 h HIS 784 N 1.19 0.58 -0.40 2.96 2.76 -0.69 -3.20 115.15 118.34 1u89 h HIS 784 Ca 0.42 -0.14 -0.14 0.00 -2.20 0.00 0.00 60.37 58.31 1u89 h HIS 784 Cb 0.14 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 1u89 h HIS 784 CO -0.00 0.76 -0.31 0.28 -1.30 0.00 0.00 177.93 177.36 1u89 h VAL 785 N 0.24 1.27 -0.60 5.26 2.07 0.34 -1.81 116.25 123.02 1u89 h VAL 785 Ca 0.06 -1.47 0.17 0.00 0.82 0.00 0.00 66.70 66.28 1u89 h VAL 785 Cb 0.59 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1u89 h VAL 785 CO 0.03 0.49 0.46 0.11 0.02 0.00 0.00 177.57 178.68 1u89 h LYS 786 N 0.75 0.00 -0.01 1.57 1.57 -0.92 -1.14 116.57 118.39 1u89 h LYS 786 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1u89 h LYS 786 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1u89 h LYS 786 CO 0.08 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.96 1u89 n ALA 787 N -2.60 2.46 -2.79 3.86 0.00 -1.17 -4.58 120.51 115.69 1u89 n ALA 787 Ca 0.11 -0.56 -0.01 0.00 0.00 0.00 0.00 53.44 52.98 1u89 n ALA 787 Cb 0.70 -0.11 0.07 0.00 0.00 0.00 0.00 19.45 20.10 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 0.15 0.50 0.02 0.00 8.25 -0.54 -4.96 115.22 118.64 1u89 n HIS 788 Ca 0.02 -2.09 0.00 0.00 -0.26 0.00 0.00 57.72 55.39 1u89 n HIS 788 Cb 0.09 0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.37 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 -0.77 0.00 -1.58 -1.41 0.00 -0.55 -4.77 120.51 111.44 1u89 n ALA 789 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 1u89 n ALA 789 Cb 0.82 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.24 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 -2.13 0.24 0.00 0.00 -1.04 -1.03 -3.10 114.28 107.22 1u89 n THR 790 Ca 0.00 -0.53 0.00 0.00 -2.04 0.00 0.00 64.05 61.48 1u89 n THR 790 Cb 0.00 -2.58 0.00 0.00 -1.82 0.00 0.00 70.33 65.93 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 5.87 1.64 3.53 3.41 0.00 -1.26 -4.83 105.19 113.53 1u89 n GLY 791 Ca 0.32 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 -1.79 0.00 4.61 0.00 -1.18 -4.99 121.76 118.41 1u89 s ALA 792 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1u89 s ALA 792 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.03 1u89 s ALA 792 CO 0.00 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.80 1u89 n GLY 793 N 0.85 2.25 2.24 0.00 0.00 -1.26 -4.09 105.19 105.18 1u89 n GLY 793 Ca -0.18 -0.37 -0.19 0.00 0.00 0.00 0.00 46.02 45.29 1u89 n GLY 793 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1u89 n PRO 794 N 9.42 2.19 -0.58 1.61 -0.02 -1.26 -4.64 135.00 141.73 1u89 n PRO 794 Ca 0.00 -1.25 -0.11 0.00 -2.02 0.00 0.00 63.50 60.12 1u89 n PRO 794 Cb 0.00 -2.21 0.06 0.00 -0.02 0.00 0.00 33.50 31.33 1u89 n PRO 794 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u89 n ALA 795 N 3.12 4.05 -2.29 3.55 0.00 -1.19 -4.30 120.51 123.46 1u89 n ALA 795 Ca 0.47 -1.20 -0.41 0.00 0.00 0.00 0.00 53.44 52.30 1u89 n ALA 795 Cb 0.51 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 1u89 n ALA 795 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1u89 s GLY 796 N 0.21 0.69 -0.51 0.00 0.00 -1.26 -4.66 107.32 101.79 1u89 s GLY 796 Ca 0.23 -0.69 -0.21 0.00 0.00 0.00 0.00 44.72 44.05 1u89 s GLY 796 CO 0.03 2.99 0.75 1.09 0.00 0.00 0.00 173.10 177.95 1u89 s ARG 797 N 5.97 3.22 -1.16 2.90 1.70 -1.26 -4.90 118.95 125.43 1u89 s ARG 797 Ca 0.56 -0.58 -0.09 0.00 -0.47 0.00 0.00 55.73 55.15 1u89 s ARG 797 Cb -0.12 -4.06 -0.12 0.00 -0.57 0.00 0.00 34.95 30.08 1u89 s ARG 797 CO 0.23 -1.29 3.11 0.66 -1.08 0.00 0.00 175.30 176.93 1u89 n TYR 798 N 6.67 1.78 -0.12 5.89 4.01 -1.26 -4.70 117.16 129.43 1u89 n TYR 798 Ca -0.03 -2.64 -0.05 0.00 -0.16 0.00 0.00 57.90 55.02 1u89 n TYR 798 Cb 0.46 -2.20 0.01 0.00 -0.31 0.00 0.00 39.34 37.30 1u89 n TYR 798 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1u89 h ASP 799 N 4.41 -0.46 0.47 7.72 3.32 -2.00 -0.54 116.42 129.33 1u89 h ASP 799 Ca 0.68 0.13 -0.24 0.00 0.02 0.00 0.00 57.03 57.62 1u89 h ASP 799 Cb 0.62 0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1u89 h ASP 799 CO 1.34 -0.17 -1.04 -0.61 -1.72 0.00 0.00 179.24 177.05 1u89 h GLN 800 N -0.04 0.34 0.10 3.56 4.15 -1.99 -2.89 115.11 118.32 1u89 h GLN 800 Ca 0.19 -0.42 -0.00 0.00 0.77 0.00 0.00 58.65 59.19 1u89 h GLN 800 Cb 0.34 0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.16 1u89 h GLN 800 CO -0.43 1.13 -0.05 0.00 -1.93 0.00 0.00 178.83 177.55 1u89 h ALA 801 N 0.71 -0.13 -0.69 3.38 0.00 -1.78 0.11 119.26 120.86 1u89 h ALA 801 Ca -0.09 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1u89 h ALA 801 Cb 1.71 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.52 1u89 h ALA 801 CO 0.17 -0.52 0.13 1.79 0.00 0.00 0.00 179.25 180.83 1u89 h THR 802 N -0.24 1.26 0.04 0.00 1.35 -1.22 -2.18 112.91 111.92 1u89 h THR 802 Ca -0.01 -1.03 -0.00 0.00 -0.55 0.00 0.00 66.41 64.82 1u89 h THR 802 Cb 0.20 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 67.21 1u89 h THR 802 CO 0.02 0.39 -0.02 -0.78 -0.25 0.00 0.00 175.52 174.88 1u89 h ASP 803 N 1.06 -0.04 -0.31 5.36 3.58 -1.33 -0.38 116.42 124.37 1u89 h ASP 803 Ca 0.21 -0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.68 1u89 h ASP 803 Cb 0.42 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 1u89 h ASP 803 CO 0.01 -0.03 0.17 0.74 -2.88 0.00 0.00 179.24 177.25 1u89 h THR 804 N -0.05 1.02 0.55 2.25 2.02 -0.63 0.21 112.91 118.28 1u89 h THR 804 Ca -0.01 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 1u89 h THR 804 Cb 0.04 0.64 0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1u89 h THR 804 CO 0.01 0.06 -0.26 0.40 0.37 0.00 0.00 175.52 176.10 1u89 h ILE 805 N 0.35 0.46 -0.48 3.11 2.04 -1.27 0.14 117.51 121.86 1u89 h ILE 805 Ca 0.12 -0.03 0.06 0.00 1.00 0.00 0.00 64.86 66.02 1u89 h ILE 805 Cb 0.01 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 36.51 1u89 h ILE 805 CO -0.07 0.00 0.18 0.25 0.00 0.00 0.00 178.15 178.52 1u89 h LEU 806 N -0.76 0.20 -0.52 1.44 6.46 -0.89 0.34 115.31 121.59 1u89 h LEU 806 Ca -0.08 0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.71 1u89 h LEU 806 Cb 0.57 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 1u89 h LEU 806 CO 0.12 0.15 0.20 0.74 -0.62 0.00 0.00 178.44 179.04 1u89 h THR 807 N 0.37 1.22 -0.28 1.05 2.02 -0.46 0.60 112.91 117.42 1u89 h THR 807 Ca 0.23 -0.68 0.01 0.00 0.77 0.00 0.00 66.41 66.73 1u89 h THR 807 Cb 0.22 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1u89 h THR 807 CO -0.22 0.26 0.17 0.58 0.37 0.00 0.00 175.52 176.68 1u89 h VAL 808 N 0.71 1.05 -0.73 3.16 2.07 -0.05 0.37 116.25 122.83 1u89 h VAL 808 Ca 0.17 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 1u89 h VAL 808 Cb 0.20 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1u89 h VAL 808 CO -0.01 0.07 0.40 0.74 0.02 0.00 0.00 177.57 178.78 1u89 h THR 809 N 0.36 1.22 -0.30 2.57 2.02 -0.75 -0.79 112.91 117.25 1u89 h THR 809 Ca 0.11 -0.56 -0.04 0.00 0.77 0.00 0.00 66.41 66.69 1u89 h THR 809 Cb -0.02 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.63 1u89 h THR 809 CO -0.04 0.25 0.02 -0.08 0.37 0.00 0.00 175.52 176.04 1u89 h GLU 810 N 1.01 0.44 -0.55 6.66 4.57 -0.32 -1.21 114.58 125.18 1u89 h GLU 810 Ca 0.26 -0.08 -0.11 0.00 -1.18 0.00 0.00 59.36 58.25 1u89 h GLU 810 Cb 0.04 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1u89 h GLU 810 CO -0.04 0.45 -0.09 -0.91 -1.18 0.00 0.00 179.01 177.24 1u89 h ASN 811 N 0.43 1.04 -0.52 1.04 2.35 0.67 -2.05 115.58 118.53 1u89 h ASN 811 Ca 0.10 -0.34 -0.05 0.00 -0.55 0.00 0.00 56.30 55.45 1u89 h ASN 811 Cb 0.25 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 1u89 h ASN 811 CO 0.00 1.14 0.14 0.40 -1.65 0.00 0.00 177.43 177.46 1u89 h ILE 812 N 0.92 1.23 -0.79 2.81 2.04 -0.55 0.18 117.51 123.35 1u89 h ILE 812 Ca 0.14 -0.83 0.01 0.00 1.00 0.00 0.00 64.86 65.18 1u89 h ILE 812 Cb 0.66 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1u89 h ILE 812 CO 0.05 0.31 0.52 -0.26 0.00 0.00 0.00 178.15 178.77 1u89 h PHE 813 N 0.85 1.00 0.05 1.37 0.04 -0.89 -1.04 116.94 118.31 1u89 h PHE 813 Ca 0.19 0.02 -0.23 0.00 2.80 0.00 0.00 57.97 60.75 1u89 h PHE 813 Cb 0.30 -0.34 -0.00 0.00 2.20 0.00 0.00 35.95 38.11 1u89 h PHE 813 CO 0.02 0.63 -1.03 0.66 -0.60 0.00 0.00 178.31 177.99 1u89 h SER 814 N 1.08 0.35 -0.52 2.17 4.64 -0.95 -3.19 113.55 117.12 1u89 h SER 814 Ca 0.29 -0.32 -0.16 0.00 -0.47 0.00 0.00 61.79 61.13 1u89 h SER 814 Cb -0.12 -0.11 -0.09 0.00 -0.31 0.00 0.00 62.40 61.76 1u89 h SER 814 CO -0.06 1.17 0.20 -1.20 -0.87 0.00 0.00 176.83 176.07 1u89 n SER 815 N -3.60 3.94 -4.57 4.97 7.64 0.61 -4.83 113.62 117.78 1u89 n SER 815 Ca -0.06 -2.85 -0.27 0.00 1.01 0.00 0.00 58.87 56.70 1u89 n SER 815 Cb 0.90 -0.68 -0.05 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 -2.24 2.55 0.00 1.43 0.00 -0.42 -1.48 119.30 119.14 1u89 s MET 816 Ca 0.38 -0.59 0.00 0.00 0.00 0.00 0.00 55.69 55.48 1u89 s MET 816 Cb 0.31 -5.13 0.00 0.00 0.00 0.00 0.00 34.83 30.01 1u89 s MET 816 CO 0.09 -3.56 0.00 0.41 0.00 0.00 0.00 175.02 171.97 1u89 n GLY 817 N 6.51 0.66 3.33 2.11 0.00 -1.26 -5.06 105.19 111.48 1u89 n GLY 817 Ca 0.42 -0.01 -0.46 0.00 0.00 0.00 0.00 46.02 45.96 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 6.36 0.40 1.61 -1.08 -0.55 -4.82 116.67 118.59 1u89 s ASP 818 Ca 0.00 -1.98 0.07 0.00 -0.52 0.00 0.00 52.55 50.13 1u89 s ASP 818 Cb 0.00 -2.24 0.82 0.00 -1.46 0.00 0.00 42.92 40.04 1u89 s ASP 818 CO 0.00 -0.84 2.01 0.00 0.52 0.00 0.00 175.17 176.86 1u89 h ALA 819 N 8.65 1.63 -0.05 3.66 0.00 -1.87 -0.61 119.26 130.66 1u89 h ALA 819 Ca -0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1u89 h ALA 819 Cb 1.08 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1u89 h ALA 819 CO 0.98 0.30 -0.00 0.78 0.00 0.00 0.00 179.25 181.31 1u89 h GLY 820 N 0.60 0.10 1.40 0.00 0.00 -1.92 -0.38 103.07 102.88 1u89 h GLY 820 Ca 0.12 -0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 1u89 h GLY 820 CO -0.01 0.07 0.09 -2.09 0.00 0.00 0.00 176.54 174.60 1u89 h GLU 821 N -0.20 0.75 0.13 4.80 4.57 -1.85 0.22 114.58 122.99 1u89 h GLU 821 Ca 0.02 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 58.03 1u89 h GLU 821 Cb 0.35 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1u89 h GLU 821 CO 0.00 0.70 -0.06 0.52 -1.18 0.00 0.00 179.01 178.99 1u89 h MET 822 N 0.72 -0.16 -0.60 1.92 2.86 -0.90 0.12 114.93 118.88 1u89 h MET 822 Ca 0.16 0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.73 1u89 h MET 822 Cb 0.31 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 1u89 h MET 822 CO 0.00 -0.01 0.07 0.28 1.06 0.00 0.00 176.91 178.30 1u89 h VAL 823 N -0.28 1.26 -0.03 -2.22 2.07 -0.93 0.17 116.25 116.29 1u89 h VAL 823 Ca -0.02 -1.03 0.03 0.00 0.82 0.00 0.00 66.70 66.50 1u89 h VAL 823 Cb 0.22 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1u89 h VAL 823 CO 0.03 0.38 -0.20 -0.09 0.02 0.00 0.00 177.57 177.71 1u89 h ARG 824 N 0.93 -0.30 -0.03 1.57 2.43 -0.73 -0.81 114.38 117.44 1u89 h ARG 824 Ca 0.18 0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.22 1u89 h ARG 824 Cb 0.45 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1u89 h ARG 824 CO 0.02 -0.20 -0.69 1.96 -1.51 0.00 0.00 179.97 179.55 1u89 h GLN 825 N -0.31 0.15 -0.60 0.20 1.08 -0.80 -2.80 115.11 112.03 1u89 h GLN 825 Ca 0.07 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1u89 h GLN 825 Cb 0.40 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.83 1u89 h GLN 825 CO -0.21 0.78 0.38 0.00 -0.95 0.00 0.00 178.83 178.84 1u89 h ALA 826 N 1.19 1.55 -0.45 3.87 0.00 -0.31 0.38 119.26 125.49 1u89 h ALA 826 Ca -0.01 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1u89 h ALA 826 Cb 1.22 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1u89 h ALA 826 CO 0.10 0.41 -0.17 0.00 0.00 0.00 0.00 179.25 179.58 1u89 h ARG 827 N 0.81 0.87 -0.56 0.00 3.08 -0.91 -0.69 114.38 116.99 1u89 h ARG 827 Ca 0.22 -0.34 -0.10 0.00 0.07 0.00 0.00 59.98 59.83 1u89 h ARG 827 Cb -0.07 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1u89 h ARG 827 CO -0.05 0.98 -0.03 0.82 -1.07 0.00 0.00 179.97 180.63 1u89 h ILE 828 N 0.77 1.27 -0.29 2.04 2.04 -1.05 -2.44 117.51 119.85 1u89 h ILE 828 Ca 0.11 -1.16 0.05 0.00 1.00 0.00 0.00 64.86 64.86 1u89 h ILE 828 Cb 0.71 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 1u89 h ILE 828 CO 0.05 0.42 0.02 0.25 0.00 0.00 0.00 178.15 178.89 1u89 h LEU 829 N 0.89 -0.07 -0.56 1.44 5.85 0.01 -0.17 115.31 122.70 1u89 h LEU 829 Ca 0.16 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.99 1u89 h LEU 829 Cb 0.58 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 1u89 h LEU 829 CO 0.03 -0.00 0.29 0.00 -0.34 0.00 0.00 178.44 178.42 1u89 h ALA 830 N 1.23 0.73 0.37 1.25 0.00 -0.96 -0.31 119.26 121.57 1u89 h ALA 830 Ca 0.14 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1u89 h ALA 830 Cb 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1u89 h ALA 830 CO -0.21 -0.06 -0.18 0.37 0.00 0.00 0.00 179.25 179.17 1u89 h GLN 831 N 0.55 -0.48 -0.98 0.00 5.75 -0.98 -1.87 115.11 117.10 1u89 h GLN 831 Ca 0.25 0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.80 1u89 h GLN 831 Cb 0.16 0.11 -0.05 0.00 1.07 0.00 0.00 27.48 28.77 1u89 h GLN 831 CO -0.17 -0.27 0.64 0.00 -2.65 0.00 0.00 178.83 176.38 1u89 h ALA 832 N 0.00 1.25 -0.39 3.38 0.00 -0.78 -2.42 119.26 120.30 1u89 h ALA 832 Ca -0.05 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1u89 h ALA 832 Cb 0.44 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1u89 h ALA 832 CO 0.08 0.60 -0.36 1.15 0.00 0.00 0.00 179.25 180.72 1u89 h THR 833 N 1.30 1.27 -0.97 0.00 2.02 -1.01 -2.37 112.91 113.16 1u89 h THR 833 Ca 0.37 -1.53 0.01 0.00 0.77 0.00 0.00 66.41 66.02 1u89 h THR 833 Cb -0.11 1.35 -0.05 0.00 -1.74 0.00 0.00 68.15 67.61 1u89 h THR 833 CO -0.09 0.51 0.64 0.28 0.37 0.00 0.00 175.52 177.23 1u89 h SER 834 N 0.75 1.12 -0.14 4.18 0.02 -0.86 0.18 113.55 118.79 1u89 h SER 834 Ca 0.07 -0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 60.85 1u89 h SER 834 Cb 0.94 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 1u89 h SER 834 CO 0.09 0.81 -0.37 -0.78 -1.14 0.00 0.00 176.83 175.44 1u89 h ASP 835 N 1.31 0.69 0.13 3.07 3.58 -1.41 -1.28 116.42 122.52 1u89 h ASP 835 Ca 0.35 -0.30 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 1u89 h ASP 835 Cb -0.14 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 40.71 1u89 h ASP 835 CO -0.08 0.99 -0.06 0.25 -2.88 0.00 0.00 179.24 177.46 1u89 h LEU 836 N 0.55 -0.15 -0.61 2.28 5.85 -0.76 -1.70 115.31 120.77 1u89 h LEU 836 Ca 0.05 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 1u89 h LEU 836 Cb 0.88 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 1u89 h LEU 836 CO 0.08 0.12 0.28 0.58 -0.34 0.00 0.00 178.44 179.16 1u89 h VAL 837 N -0.44 1.22 -0.94 1.05 2.07 -0.67 -2.18 116.25 116.35 1u89 h VAL 837 Ca -0.02 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1u89 h VAL 837 Cb 0.35 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 1u89 h VAL 837 CO 0.03 0.25 0.55 -1.13 0.02 0.00 0.00 177.57 177.29 1u89 h ASN 838 N 0.83 1.14 -0.23 0.57 -1.24 -1.23 0.94 115.58 116.36 1u89 h ASN 838 Ca 0.21 -0.08 -0.01 0.00 0.71 0.00 0.00 56.30 57.13 1u89 h ASN 838 Cb 0.13 -0.29 -0.01 0.00 0.73 0.00 0.00 38.32 38.88 1u89 h ASN 838 CO -0.02 0.89 0.10 0.00 -1.29 0.00 0.00 177.43 177.10 1u89 h ALA 839 N 1.30 0.30 -0.53 1.57 0.00 -0.85 -2.07 119.26 118.98 1u89 h ALA 839 Ca 0.33 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 1u89 h ALA 839 Cb -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1u89 h ALA 839 CO -0.06 -0.12 -0.03 0.82 0.00 0.00 0.00 179.25 179.86 1u89 h ILE 840 N 0.24 1.27 -0.51 0.00 2.04 -1.17 -1.72 117.51 117.65 1u89 h ILE 840 Ca 0.08 -1.15 0.09 0.00 1.00 0.00 0.00 64.86 64.88 1u89 h ILE 840 Cb 0.15 0.94 -0.07 0.00 -0.74 0.00 0.00 36.82 37.10 1u89 h ILE 840 CO -0.01 0.41 0.09 0.11 0.00 0.00 0.00 178.15 178.75 1u89 h LYS 841 N 0.84 0.21 -0.08 2.37 1.57 -0.58 0.25 116.57 121.15 1u89 h LYS 841 Ca 0.15 -0.01 -0.23 0.00 -1.87 0.00 0.00 60.65 58.69 1u89 h LYS 841 Cb 0.58 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.85 1u89 h LYS 841 CO 0.03 0.14 -0.83 0.00 -0.57 0.00 0.00 179.45 178.22 1u89 h ALA 842 N 1.41 0.21 -0.03 3.86 0.00 -1.30 -3.05 119.26 120.37 1u89 h ALA 842 Ca 0.26 -0.62 -0.18 0.00 0.00 0.00 0.00 54.91 54.37 1u89 h ALA 842 Cb 0.36 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1u89 h ALA 842 CO -0.35 0.63 -0.77 0.22 0.00 0.00 0.00 179.25 178.97 1u89 h ASP 843 N 0.40 0.29 1.60 0.00 3.58 -0.91 -2.91 116.42 118.47 1u89 h ASP 843 Ca -0.08 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.16 1u89 h ASP 843 Cb 1.48 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.44 1u89 h ASP 843 CO 0.17 0.96 0.00 0.00 -2.88 0.00 0.00 179.24 177.48 1u89 h ALA 844 N 1.03 1.00 0.00 -0.78 0.00 -0.61 -3.36 119.26 116.54 1u89 h ALA 844 Ca -0.03 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.25 1u89 h ALA 844 Cb 1.36 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.17 1u89 h ALA 844 CO 0.12 0.00 3.53 -1.91 0.00 0.00 0.00 179.25 180.99 1u89 n GLU 845 N -2.84 3.27 0.00 0.00 4.07 -1.10 -3.34 120.64 120.71 1u89 n GLU 845 Ca 0.04 -2.11 0.00 0.00 -0.06 0.00 0.00 57.16 55.02 1u89 n GLU 845 Cb 0.44 -2.80 0.00 0.00 -0.06 0.00 0.00 31.44 29.02 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 3.70 0.00 3.99 8.31 0.00 -1.26 -5.03 105.19 114.90 1u89 n GLY 846 Ca 0.69 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.52 1u89 n GLY 846 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u89 s GLU 847 N 0.00 3.05 0.11 1.61 -6.30 -1.21 -4.90 118.70 111.06 1u89 s GLU 847 Ca 0.00 -0.95 -0.16 0.00 -2.50 0.00 0.00 54.97 51.36 1u89 s GLU 847 Cb 0.00 -2.76 -0.04 0.00 0.00 0.00 0.00 34.13 31.33 1u89 s GLU 847 CO 0.00 -0.07 1.57 0.77 0.02 0.00 0.00 175.26 177.56 1u89 h SER 848 N 0.75 0.56 -3.61 -1.70 0.02 -1.99 -3.43 113.55 104.15 1u89 h SER 848 Ca -0.45 -0.28 -0.67 0.00 -0.84 0.00 0.00 61.79 59.55 1u89 h SER 848 Cb 1.26 -0.15 -0.22 0.00 0.14 0.00 0.00 62.40 63.43 1u89 h SER 848 CO 0.52 0.71 -0.72 -0.62 -1.14 0.00 0.00 176.83 175.58 1u89 s ASP 849 N -6.04 4.43 0.21 3.07 2.15 -1.26 -5.01 116.67 114.22 1u89 s ASP 849 Ca -0.13 -0.13 0.13 0.00 0.43 0.00 0.00 52.55 52.84 1u89 s ASP 849 Cb 0.09 -1.30 -0.03 0.00 -0.30 0.00 0.00 42.92 41.38 1u89 s ASP 849 CO 0.77 0.29 1.32 -0.07 -0.17 0.00 0.00 175.17 177.30 1u89 h LEU 850 N 5.81 0.00 -0.13 -1.34 -0.00 -1.98 -2.36 115.31 115.30 1u89 h LEU 850 Ca -0.41 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.30 1u89 h LEU 850 Cb 1.18 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.85 1u89 h LEU 850 CO 0.54 0.65 -0.59 -0.08 -0.00 0.00 0.00 178.44 178.96 1u89 h GLU 851 N 0.00 0.63 -0.65 1.13 4.57 -1.98 0.23 114.58 118.51 1u89 h GLU 851 Ca -0.03 -0.51 -0.09 0.00 -1.18 0.00 0.00 59.36 57.56 1u89 h GLU 851 Cb 1.52 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 30.19 1u89 h GLU 851 CO 0.08 1.13 0.06 -0.97 -1.18 0.00 0.00 179.01 178.13 1u89 h ASN 852 N 0.29 1.07 -0.46 1.04 -1.24 -1.99 0.04 115.58 114.33 1u89 h ASN 852 Ca -0.04 -0.28 -0.05 0.00 0.71 0.00 0.00 56.30 56.64 1u89 h ASN 852 Cb 1.23 -0.29 -0.02 0.00 0.73 0.00 0.00 38.32 39.98 1u89 h ASN 852 CO 0.12 1.08 0.09 0.77 -1.29 0.00 0.00 177.43 178.21 1u89 h SER 853 N 1.02 0.72 -0.49 1.15 4.64 -1.38 -0.44 113.55 118.78 1u89 h SER 853 Ca 0.19 -0.25 0.04 0.00 -0.47 0.00 0.00 61.79 61.31 1u89 h SER 853 Cb 0.50 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.35 1u89 h SER 853 CO 0.02 0.78 0.24 0.03 -0.87 0.00 0.00 176.83 177.03 1u89 h ARG 854 N 0.62 0.46 -0.94 4.77 -0.00 -0.75 -0.83 114.38 117.72 1u89 h ARG 854 Ca 0.14 -0.03 0.12 0.00 -0.50 0.00 0.00 59.98 59.71 1u89 h ARG 854 Cb 0.36 -0.10 -0.08 0.00 0.00 0.00 0.00 29.97 30.14 1u89 h ARG 854 CO 0.01 0.30 0.57 0.87 0.00 0.00 0.00 179.97 181.72 1u89 h LYS 855 N 0.47 0.87 -0.01 0.04 6.56 -0.59 0.18 116.57 124.08 1u89 h LYS 855 Ca 0.21 -0.05 -0.00 0.00 -1.06 0.00 0.00 60.65 59.75 1u89 h LYS 855 Cb 0.13 -0.20 -0.00 0.00 -0.57 0.00 0.00 32.23 31.59 1u89 h LYS 855 CO -0.16 0.57 0.00 -0.07 -2.06 0.00 0.00 179.45 177.74 1u89 h LEU 856 N 0.89 0.02 -0.46 2.94 3.38 0.13 -2.32 115.31 119.89 1u89 h LEU 856 Ca 0.47 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 58.10 1u89 h LEU 856 Cb 0.50 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1u89 h LEU 856 CO -0.28 0.21 -0.68 -0.07 0.09 0.00 0.00 178.44 177.72 1u89 h LEU 857 N -0.18 0.00 -0.19 1.67 3.38 -0.78 -1.87 115.31 117.35 1u89 h LEU 857 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1u89 h LEU 857 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1u89 h LEU 857 CO -0.00 0.68 0.12 0.28 0.09 0.00 0.00 178.44 179.61 1u89 h SER 858 N 0.00 0.20 -0.73 -0.43 0.02 -0.59 0.84 113.55 112.86 1u89 h SER 858 Ca -0.01 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1u89 h SER 858 Cb 1.31 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.77 1u89 h SER 858 CO 0.09 0.15 0.33 0.00 -1.14 0.00 0.00 176.83 176.26 1u89 h ALA 859 N 1.07 0.94 -0.52 3.77 0.00 -1.22 -1.03 119.26 122.28 1u89 h ALA 859 Ca 0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1u89 h ALA 859 Cb -0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1u89 h ALA 859 CO -0.02 0.53 0.18 0.00 0.00 0.00 0.00 179.25 179.94 1u89 h ALA 860 N 1.16 1.35 -0.60 0.00 0.00 -1.11 -0.12 119.26 119.94 1u89 h ALA 860 Ca 0.25 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1u89 h ALA 860 Cb 0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1u89 h ALA 860 CO -0.03 0.48 0.02 0.87 0.00 0.00 0.00 179.25 180.59 1u89 h LYS 861 N 0.75 1.04 -0.66 0.00 1.57 -0.05 -1.67 116.57 117.55 1u89 h LYS 861 Ca 0.18 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 1u89 h LYS 861 Cb 0.19 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1u89 h LYS 861 CO -0.01 1.01 0.26 0.82 -0.57 0.00 0.00 179.45 180.95 1u89 h ILE 862 N 0.96 1.24 0.07 1.86 2.04 -0.57 -0.56 117.51 122.53 1u89 h ILE 862 Ca 0.17 -0.75 0.03 0.00 1.00 0.00 0.00 64.86 65.31 1u89 h ILE 862 Cb 0.53 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 37.06 1u89 h ILE 862 CO 0.03 0.30 -0.35 -0.07 0.00 0.00 0.00 178.15 178.05 1u89 h LEU 863 N 0.93 -1.04 -0.76 1.44 -0.00 -0.63 0.36 115.31 115.60 1u89 h LEU 863 Ca 0.22 0.12 -0.02 0.00 -0.00 0.00 0.00 57.88 58.20 1u89 h LEU 863 Cb 0.21 0.40 -0.04 0.00 -0.00 0.00 0.00 40.66 41.24 1u89 h LEU 863 CO -0.02 -0.42 0.39 0.00 -0.00 0.00 0.00 178.44 178.39 1u89 h ALA 864 N 0.08 0.98 -0.37 1.53 0.00 -1.18 -1.24 119.26 119.07 1u89 h ALA 864 Ca 0.04 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1u89 h ALA 864 Cb 0.60 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1u89 h ALA 864 CO -0.24 0.53 0.01 0.22 0.00 0.00 0.00 179.25 179.77 1u89 h ASP 865 N 1.07 0.63 -0.54 0.00 3.58 -0.76 -2.17 116.42 118.23 1u89 h ASP 865 Ca 0.27 -0.30 -0.05 0.00 0.42 0.00 0.00 57.03 57.37 1u89 h ASP 865 Cb 0.09 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 1u89 h ASP 865 CO -0.04 0.77 0.15 0.00 -2.88 0.00 0.00 179.24 177.25 1u89 h ALA 866 N 0.88 0.71 -0.21 -0.78 0.00 -0.04 -1.91 119.26 117.92 1u89 h ALA 866 Ca 0.11 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1u89 h ALA 866 Cb 0.44 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1u89 h ALA 866 CO 0.02 0.39 -0.17 1.15 0.00 0.00 0.00 179.25 180.64 1u89 h THR 867 N 0.76 1.22 -0.59 0.00 2.02 -1.17 0.31 112.91 115.45 1u89 h THR 867 Ca 0.17 -1.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.28 1u89 h THR 867 Cb 0.31 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 1u89 h THR 867 CO -0.00 0.31 0.09 0.00 0.37 0.00 0.00 175.52 176.29 1u89 h ALA 868 N 1.50 0.79 -0.55 6.16 0.00 -1.05 0.22 119.26 126.34 1u89 h ALA 868 Ca 0.06 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1u89 h ALA 868 Cb 0.49 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1u89 h ALA 868 CO 0.03 0.55 -0.02 0.87 0.00 0.00 0.00 179.25 180.68 1u89 h LYS 869 N 0.89 0.95 -0.09 0.00 1.57 -0.60 0.32 116.57 119.61 1u89 h LYS 869 Ca 0.18 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1u89 h LYS 869 Cb 0.44 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 1u89 h LYS 869 CO 0.01 0.95 0.02 1.98 -0.57 0.00 0.00 179.45 181.84 1u89 h MET 870 N 0.87 0.14 -0.60 3.15 4.05 -0.07 0.43 114.93 122.91 1u89 h MET 870 Ca 0.16 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.51 1u89 h MET 870 Cb 0.54 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.29 1u89 h MET 870 CO 0.03 0.33 0.24 -0.24 0.23 0.00 0.00 176.91 177.50 1u89 h VAL 871 N -0.07 1.21 -0.14 -5.77 3.04 -0.45 0.06 116.25 114.13 1u89 h VAL 871 Ca 0.03 -0.67 -0.20 0.00 -1.01 0.00 0.00 66.70 64.85 1u89 h VAL 871 Cb 0.25 0.50 0.00 0.00 -2.01 0.00 0.00 31.29 30.03 1u89 h VAL 871 CO 0.00 0.27 -0.72 -0.08 -1.01 0.00 0.00 177.57 176.03 1u89 h GLU 872 N 0.86 0.64 -0.21 4.17 4.57 -0.72 -1.93 114.58 121.97 1u89 h GLU 872 Ca 0.21 -0.50 -0.03 0.00 -1.18 0.00 0.00 59.36 57.86 1u89 h GLU 872 Cb 0.17 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1u89 h GLU 872 CO -0.02 1.12 0.02 0.00 -1.18 0.00 0.00 179.01 178.95 1u89 h ALA 873 N 0.75 0.28 -0.86 2.92 0.00 0.24 0.23 119.26 122.82 1u89 h ALA 873 Ca -0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1u89 h ALA 873 Cb 1.32 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1u89 h ALA 873 CO 0.14 -0.03 0.53 0.00 0.00 0.00 0.00 179.25 179.89 1u89 h ALA 874 N 0.81 1.09 -0.09 0.00 0.00 -0.98 0.23 119.26 120.33 1u89 h ALA 874 Ca 0.06 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1u89 h ALA 874 Cb 0.36 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1u89 h ALA 874 CO 0.01 0.54 -0.17 0.87 0.00 0.00 0.00 179.25 180.50 1u89 h LYS 875 N 1.18 0.27 0.00 0.00 1.57 -1.25 -2.56 116.57 115.77 1u89 h LYS 875 Ca 0.31 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 1u89 h LYS 875 Cb -0.06 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1u89 h LYS 875 CO -0.06 0.76 -0.29 0.78 -0.57 0.00 0.00 179.45 180.07 1u89 h GLY 876 N -0.19 0.00 -2.15 3.86 0.00 -0.34 -2.49 103.07 101.77 1u89 h GLY 876 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1u89 h GLY 876 CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.58 1u89 n ALA 877 N -2.31 2.44 0.24 3.60 0.00 0.05 -4.18 120.51 120.35 1u89 n ALA 877 Ca -0.01 -0.90 0.12 0.00 0.00 0.00 0.00 53.44 52.66 1u89 n ALA 877 Cb 0.41 -0.87 0.53 0.00 0.00 0.00 0.00 19.45 19.52 1u89 n ALA 877 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u89 h ALA 878 N 4.55 1.02 -0.71 0.00 0.00 -1.00 -3.47 119.26 119.65 1u89 h ALA 878 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1u89 h ALA 878 Cb 0.97 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1u89 h ALA 878 CO 0.00 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.43 1u89 n ALA 879 N -2.18 0.00 -3.14 0.00 0.00 -1.26 -3.79 120.51 110.14 1u89 n ALA 879 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.40 1u89 n ALA 879 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.82 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 -1.32 -0.13 0.00 3.76 -1.26 -5.03 115.29 111.30 1u89 s HIS 880 Ca 0.00 -0.25 -0.05 0.00 -0.15 0.00 0.00 55.06 54.61 1u89 s HIS 880 Cb 0.00 0.13 -0.16 0.00 1.11 0.00 0.00 32.58 33.66 1u89 s HIS 880 CO 0.00 -1.15 3.29 -0.35 -0.85 0.00 0.00 174.74 175.69 1u89 n PRO 881 N 3.98 2.07 -1.19 8.40 -0.04 -1.25 -4.76 135.00 142.22 1u89 n PRO 881 Ca 0.13 -1.35 -0.24 0.00 -0.04 0.00 0.00 63.50 62.00 1u89 n PRO 881 Cb 0.54 -1.99 -0.10 0.00 -0.04 0.00 0.00 33.50 31.90 1u89 n PRO 881 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1u89 n ASP 882 N 1.96 6.77 -3.66 3.54 2.03 -1.26 -4.73 116.55 121.21 1u89 n ASP 882 Ca 0.43 -2.58 -0.12 0.00 0.52 0.00 0.00 54.79 53.03 1u89 n ASP 882 Cb 0.79 -1.46 -0.08 0.00 -0.72 0.00 0.00 41.12 39.65 1u89 n ASP 882 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1u89 s SER 883 N 1.90 -0.70 -1.09 1.67 0.01 -1.26 -5.09 113.70 109.14 1u89 s SER 883 Ca 0.67 1.28 -0.19 0.00 1.31 0.00 0.00 55.95 59.02 1u89 s SER 883 Cb 0.26 1.25 0.09 0.00 0.21 0.00 0.00 66.02 67.84 1u89 s SER 883 CO -0.04 -0.22 1.44 -1.61 0.41 0.00 0.00 173.24 173.22 1u89 s GLU 884 N 0.70 3.76 -1.15 12.44 8.01 -1.26 -4.86 118.70 136.34 1u89 s GLU 884 Ca -0.03 -1.71 -0.04 0.00 0.01 0.00 0.00 54.97 53.20 1u89 s GLU 884 Cb -0.05 -5.25 0.25 0.00 -4.31 0.00 0.00 34.13 24.76 1u89 s GLU 884 CO -0.05 -2.05 1.87 0.39 0.01 0.00 0.00 175.26 175.43 1u89 n GLU 885 N 7.72 4.70 -1.41 1.61 4.71 -1.26 -5.01 120.64 131.70 1u89 n GLU 885 Ca 0.35 -4.17 -0.31 0.00 -0.01 0.00 0.00 57.16 53.02 1u89 n GLU 885 Cb 0.48 -2.59 0.09 0.00 -1.01 0.00 0.00 31.44 28.41 1u89 n GLU 885 CO 0.00 0.00 0.00 1.14 0.09 0.00 0.00 177.13 178.36 1u89 s GLN 886 N -2.41 2.22 7.66 3.49 -2.07 -1.26 -4.77 119.66 122.52 1u89 s GLN 886 Ca 0.40 0.92 0.00 0.00 -1.82 0.00 0.00 55.36 54.86 1u89 s GLN 886 Cb 0.14 -1.91 0.00 0.00 -1.09 0.00 0.00 33.01 30.14 1u89 s GLN 886 CO -0.03 -1.59 0.00 1.04 -1.32 0.00 0.00 175.29 173.38 1u89 n GLN 887 N -3.46 0.00 -3.06 9.60 3.00 -1.26 -4.89 117.38 117.31 1u89 n GLN 887 Ca 0.08 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.84 1u89 n GLN 887 Cb 0.54 0.00 0.03 0.00 0.00 0.00 0.00 30.24 30.81 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 13.58 -4.46 0.00 -1.09 6.02 -1.26 -5.21 117.38 124.96 1u89 n GLN 888 Ca 0.00 0.82 0.00 0.00 -0.01 0.00 0.00 57.00 57.81 1u89 n GLN 888 Cb 0.00 -5.64 0.00 0.00 1.02 0.00 0.00 30.24 25.62 1u89 n GLN 888 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94