#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 0.00 -0.57 1.61 0.02 -1.92 -2.11 113.55 110.58 1u89 h SER 752 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1u89 h SER 752 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1u89 h SER 752 CO 0.00 0.00 0.00 1.57 -1.14 0.00 0.00 176.83 177.26 1u89 n HIS 753 N -2.43 1.81 -0.12 3.45 -0.00 -1.26 -4.37 115.22 112.30 1u89 n HIS 753 Ca 0.02 -0.71 -0.12 0.00 0.46 0.00 0.00 57.72 57.38 1u89 n HIS 753 Cb 0.26 -0.42 -0.02 0.00 -0.12 0.00 0.00 29.99 29.69 1u89 n HIS 753 CO 0.00 0.00 0.00 1.98 0.46 0.00 0.00 176.34 178.78 1u89 h MET 754 N 3.84 0.76 -2.98 1.57 1.85 -1.76 -3.43 114.93 114.79 1u89 h MET 754 Ca 0.00 -0.33 -0.21 0.00 -0.61 0.00 0.00 59.70 58.55 1u89 h MET 754 Cb 1.78 -0.02 -0.31 0.00 0.43 0.00 0.00 31.60 33.48 1u89 h MET 754 CO 0.39 0.95 -0.51 -1.14 -0.40 0.00 0.00 176.91 176.20 1u89 s GLN 755 N -4.63 0.18 -1.23 0.39 -0.44 -1.26 -5.07 119.66 107.60 1u89 s GLN 755 Ca -0.12 0.60 -0.21 0.00 -2.50 0.00 0.00 55.36 53.13 1u89 s GLN 755 Cb 0.10 -0.10 -0.02 0.00 -1.64 0.00 0.00 33.01 31.34 1u89 s GLN 755 CO 0.83 -0.21 1.85 0.00 0.50 0.00 0.00 175.29 178.26 1u89 s ALA 756 N 1.68 2.41 0.00 1.58 0.00 -1.26 -3.90 121.76 122.27 1u89 s ALA 756 Ca -0.05 -2.46 0.00 0.00 0.00 0.00 0.00 51.96 49.45 1u89 s ALA 756 Cb -0.11 -4.66 0.00 0.00 0.00 0.00 0.00 23.12 18.35 1u89 s ALA 756 CO -0.08 -4.45 0.00 0.00 0.00 0.00 0.00 175.76 171.23 1u89 n ALA 757 N 11.96 0.00 1.21 0.00 0.00 -1.26 -4.99 120.51 127.42 1u89 n ALA 757 Ca 0.46 0.00 0.10 0.00 0.00 0.00 0.00 53.44 54.00 1u89 n ALA 757 Cb 0.46 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.27 1u89 n ALA 757 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1u89 n THR 758 N 0.00 0.23 -2.00 0.00 -1.04 -1.26 -4.47 114.28 105.74 1u89 n THR 758 Ca 0.00 -0.35 -0.38 0.00 -2.04 0.00 0.00 64.05 61.28 1u89 n THR 758 Cb 0.00 0.34 -0.03 0.00 -1.82 0.00 0.00 70.33 68.82 1u89 n THR 758 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1u89 s GLU 759 N -1.77 2.58 -1.79 -2.82 0.41 -1.25 -2.34 118.70 111.72 1u89 s GLU 759 Ca 0.31 0.67 0.00 0.00 -0.41 0.00 0.00 54.97 55.55 1u89 s GLU 759 Cb 0.17 -4.40 0.00 0.00 -1.78 0.00 0.00 34.13 28.11 1u89 s GLU 759 CO 0.25 -2.78 0.00 -3.47 -0.49 0.00 0.00 175.26 168.77 1u89 n ASP 760 N 13.01 -5.43 -4.33 -0.19 2.03 -1.26 -4.71 116.55 115.67 1u89 n ASP 760 Ca 0.22 0.18 -0.39 0.00 0.52 0.00 0.00 54.79 55.31 1u89 n ASP 760 Cb 0.52 -4.53 -0.12 0.00 -0.72 0.00 0.00 41.12 36.28 1u89 n ASP 760 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1u89 s GLY 761 N -2.40 1.88 0.26 0.27 0.00 -0.99 -4.96 107.32 101.39 1u89 s GLY 761 Ca 0.00 -1.72 0.12 0.00 0.00 0.00 0.00 44.72 43.12 1u89 s GLY 761 CO 0.00 0.80 1.53 1.46 0.00 0.00 0.00 173.10 176.90 1u89 h GLN 762 N 8.33 0.00 0.33 2.90 1.08 -1.93 -2.78 115.11 123.04 1u89 h GLN 762 Ca -0.25 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.94 1u89 h GLN 762 Cb 1.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.53 1u89 h GLN 762 CO 0.63 0.64 -0.16 -0.07 -0.95 0.00 0.00 178.83 178.93 1u89 h LEU 763 N 0.00 -0.37 -1.02 1.46 -0.00 -1.95 0.26 115.31 113.69 1u89 h LEU 763 Ca -0.01 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 1u89 h LEU 763 Cb 1.26 0.10 0.00 0.00 -0.00 0.00 0.00 40.66 42.02 1u89 h LEU 763 CO 0.08 -0.11 0.00 0.25 -0.00 0.00 0.00 178.44 178.67 1u89 h LEU 764 N -0.64 0.00 0.00 1.67 6.46 -1.89 -2.26 115.31 118.64 1u89 h LEU 764 Ca -0.05 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 1u89 h LEU 764 Cb 0.46 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 1u89 h LEU 764 CO 0.07 0.00 -0.04 -0.09 -0.62 0.00 0.00 178.44 177.76 1u89 h ARG 765 N 0.00 0.00 0.42 1.25 9.65 -1.16 -3.13 114.38 121.41 1u89 h ARG 765 Ca 0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 1u89 h ARG 765 Cb 0.44 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.02 1u89 h ARG 765 CO 0.00 0.00 -0.20 0.78 2.80 0.00 0.00 179.97 183.35 1u89 h GLY 766 N -0.33 -0.58 1.17 2.80 0.00 -0.56 -1.15 103.07 104.42 1u89 h GLY 766 Ca 0.00 0.22 -0.11 0.00 0.00 0.00 0.00 47.33 47.43 1u89 h GLY 766 CO 0.00 -0.21 -0.13 -2.08 0.00 0.00 0.00 176.54 174.11 1u89 h VAL 767 N -0.85 1.27 0.35 4.60 2.07 -1.56 -2.15 116.25 119.96 1u89 h VAL 767 Ca -0.06 -1.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.17 1u89 h VAL 767 Cb 0.55 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1u89 h VAL 767 CO 0.09 0.45 -0.17 1.23 0.02 0.00 0.00 177.57 179.19 1u89 h GLY 768 N 0.94 -0.49 1.00 2.17 0.00 -1.47 0.19 103.07 105.41 1u89 h GLY 768 Ca 0.13 0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 1u89 h GLY 768 CO 0.05 -0.18 0.39 0.00 0.00 0.00 0.00 176.54 176.80 1u89 h ALA 769 N 0.18 0.86 -0.29 3.60 0.00 -1.21 -1.04 119.26 121.36 1u89 h ALA 769 Ca -0.05 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1u89 h ALA 769 Cb 0.36 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1u89 h ALA 769 CO 0.08 0.36 0.01 0.00 0.00 0.00 0.00 179.25 179.69 1u89 h ALA 770 N 1.20 0.39 -0.38 0.00 0.00 -1.24 -1.29 119.26 117.94 1u89 h ALA 770 Ca 0.24 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1u89 h ALA 770 Cb 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1u89 h ALA 770 CO -0.04 0.13 0.12 0.00 0.00 0.00 0.00 179.25 179.46 1u89 h ALA 771 N 0.84 0.50 -0.68 0.00 0.00 -0.44 -2.19 119.26 117.29 1u89 h ALA 771 Ca 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1u89 h ALA 771 Cb 0.42 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1u89 h ALA 771 CO 0.01 0.14 0.35 1.15 0.00 0.00 0.00 179.25 180.90 1u89 h THR 772 N 0.47 1.21 -0.50 0.00 2.02 -1.15 -1.56 112.91 113.39 1u89 h THR 772 Ca 0.12 -0.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.74 1u89 h THR 772 Cb 0.25 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 1u89 h THR 772 CO -0.00 0.24 0.30 0.00 0.37 0.00 0.00 175.52 176.42 1u89 h ALA 773 N 1.43 0.64 -0.36 6.16 0.00 -0.79 0.38 119.26 126.74 1u89 h ALA 773 Ca 0.24 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1u89 h ALA 773 Cb 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1u89 h ALA 773 CO -0.03 0.14 0.06 0.28 0.00 0.00 0.00 179.25 179.69 1u89 h VAL 774 N 0.67 1.24 -0.81 0.00 2.07 -1.11 -1.06 116.25 117.24 1u89 h VAL 774 Ca 0.18 -0.83 0.06 0.00 0.82 0.00 0.00 66.70 66.93 1u89 h VAL 774 Cb 0.01 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 1u89 h VAL 774 CO -0.03 0.28 0.50 0.74 0.02 0.00 0.00 177.57 179.08 1u89 h THR 775 N 0.43 1.03 -0.33 2.57 2.02 -0.98 0.11 112.91 117.75 1u89 h THR 775 Ca 0.11 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 1u89 h THR 775 Cb 0.35 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1u89 h THR 775 CO 0.01 0.17 0.09 1.56 0.37 0.00 0.00 175.52 177.71 1u89 h GLN 776 N 0.91 0.53 -0.74 6.66 4.20 -0.71 -1.79 115.11 124.17 1u89 h GLN 776 Ca 0.36 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 1u89 h GLN 776 Cb 0.16 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 1u89 h GLN 776 CO -0.17 0.58 0.42 0.00 -0.67 0.00 0.00 178.83 178.99 1u89 h ALA 777 N 0.93 0.94 -0.39 3.87 0.00 -0.53 -2.00 119.26 122.08 1u89 h ALA 777 Ca 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1u89 h ALA 777 Cb 0.28 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1u89 h ALA 777 CO -0.00 0.43 0.20 1.25 0.00 0.00 0.00 179.25 181.13 1u89 h LEU 778 N 1.01 0.50 -1.22 0.00 5.85 -0.68 -1.68 115.31 119.10 1u89 h LEU 778 Ca 0.26 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.91 1u89 h LEU 778 Cb 0.00 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 1u89 h LEU 778 CO -0.05 0.47 0.54 0.78 -0.34 0.00 0.00 178.44 179.85 1u89 h ASN 779 N 0.50 0.87 0.34 1.25 2.35 -1.00 0.17 115.58 120.06 1u89 h ASN 779 Ca 0.14 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 1u89 h ASN 779 Cb 0.09 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.27 1u89 h ASN 779 CO -0.02 0.59 -0.16 -0.33 -1.65 0.00 0.00 177.43 175.86 1u89 h GLU 780 N 1.00 -0.44 -0.62 0.81 4.39 -0.97 -2.47 114.58 116.29 1u89 h GLU 780 Ca 0.33 0.03 -0.05 0.00 0.34 0.00 0.00 59.36 60.01 1u89 h GLU 780 Cb 0.07 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 1u89 h GLU 780 CO -0.10 -0.17 0.19 1.25 -1.16 0.00 0.00 179.01 179.02 1u89 h LEU 781 N -0.67 0.91 -0.55 1.33 5.85 -0.93 0.84 115.31 122.09 1u89 h LEU 781 Ca -0.05 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.51 1u89 h LEU 781 Cb 0.47 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 1u89 h LEU 781 CO 0.08 0.88 0.28 -0.07 -0.34 0.00 0.00 178.44 179.27 1u89 h LEU 782 N 0.89 0.41 -0.29 2.25 3.38 -0.69 0.48 115.31 121.74 1u89 h LEU 782 Ca 0.20 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 1u89 h LEU 782 Cb 0.30 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1u89 h LEU 782 CO -0.01 0.28 0.04 1.56 0.09 0.00 0.00 178.44 180.41 1u89 h GLN 783 N 0.55 0.48 -0.51 1.13 7.50 -1.15 -2.26 115.11 120.85 1u89 h GLN 783 Ca 0.24 -0.13 -0.01 0.00 0.50 0.00 0.00 58.65 59.25 1u89 h GLN 783 Cb 0.15 -0.05 -0.02 0.00 0.05 0.00 0.00 27.48 27.60 1u89 h GLN 783 CO -0.16 0.59 0.27 1.25 -1.50 0.00 0.00 178.83 179.28 1u89 h HIS 784 N 0.29 0.70 0.00 2.96 2.76 -0.01 -2.58 115.15 119.28 1u89 h HIS 784 Ca 0.09 -0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 58.11 1u89 h HIS 784 Cb 0.35 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.07 1u89 h HIS 784 CO 0.02 0.53 -0.61 0.28 -1.30 0.00 0.00 177.93 176.85 1u89 h VAL 785 N 0.68 1.41 0.00 5.26 2.07 -0.08 0.57 116.25 126.16 1u89 h VAL 785 Ca 0.18 -2.12 -0.04 0.00 0.82 0.00 0.00 66.70 65.54 1u89 h VAL 785 Cb 0.06 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1u89 h VAL 785 CO -0.03 0.60 -0.17 0.50 0.02 0.00 0.00 177.57 178.50 1u89 h LYS 786 N 0.00 0.00 0.00 1.57 3.64 -1.00 -1.07 116.57 119.71 1u89 h LYS 786 Ca -0.01 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 1u89 h LYS 786 Cb 1.10 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 1u89 h LYS 786 CO 0.08 0.17 -1.65 0.00 -2.27 0.00 0.00 179.45 175.78 1u89 n ALA 787 N -2.32 2.07 -3.19 5.00 0.00 -1.11 -4.83 120.51 116.13 1u89 n ALA 787 Ca -0.02 -0.51 -0.21 0.00 0.00 0.00 0.00 53.44 52.71 1u89 n ALA 787 Cb 0.28 -0.18 -0.06 0.00 0.00 0.00 0.00 19.45 19.48 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 -2.17 -1.57 0.08 0.00 8.25 0.20 -4.95 115.22 115.07 1u89 n HIS 788 Ca -0.10 -2.87 -0.03 0.00 -0.26 0.00 0.00 57.72 54.46 1u89 n HIS 788 Cb 0.59 0.48 -0.02 0.00 1.12 0.00 0.00 29.99 32.16 1u89 n HIS 788 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u89 h ALA 789 N 5.10 -0.81 0.00 -1.41 0.00 -1.35 -3.35 119.26 117.44 1u89 h ALA 789 Ca 0.16 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 1u89 h ALA 789 Cb 0.95 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1u89 h ALA 789 CO 0.31 -0.80 -1.36 2.41 0.00 0.00 0.00 179.25 179.81 1u89 n THR 790 N -2.69 1.50 0.00 0.00 -1.04 -1.22 -4.74 114.28 106.08 1u89 n THR 790 Ca -0.03 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1u89 n THR 790 Cb 0.08 -2.16 0.00 0.00 -1.82 0.00 0.00 70.33 66.43 1u89 n THR 790 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1u89 n GLY 791 N 1.43 -0.31 0.08 3.41 0.00 -1.26 -4.61 105.19 103.93 1u89 n GLY 791 Ca -0.28 0.11 0.12 0.00 0.00 0.00 0.00 46.02 45.97 1u89 n GLY 791 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u89 n ALA 792 N -0.43 3.76 -1.48 4.61 0.00 -1.26 -4.86 120.51 120.84 1u89 n ALA 792 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1u89 n ALA 792 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 1.47 0.74 0.00 0.00 0.00 -1.26 -5.10 105.19 101.04 1u89 n GLY 793 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1u89 n GLY 793 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1u89 n PRO 794 N 0.00 2.25 -3.51 1.61 -0.05 -1.26 -4.94 135.00 129.11 1u89 n PRO 794 Ca 0.00 0.00 -0.28 0.00 -0.05 0.00 0.00 63.50 63.17 1u89 n PRO 794 Cb 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 33.50 33.33 1u89 n PRO 794 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1u89 s ALA 795 N -3.67 1.47 -0.60 0.55 0.00 -1.26 -3.45 121.76 114.80 1u89 s ALA 795 Ca 0.00 -2.30 -0.27 0.00 0.00 0.00 0.00 51.96 49.39 1u89 s ALA 795 Cb 0.00 -1.68 -0.01 0.00 0.00 0.00 0.00 23.12 21.42 1u89 s ALA 795 CO 0.00 -2.05 1.78 0.20 0.00 0.00 0.00 175.76 175.69 1u89 s GLY 796 N 0.46 0.33 -0.15 0.00 0.00 -1.26 -4.94 107.32 101.76 1u89 s GLY 796 Ca 0.23 -0.65 -0.18 0.00 0.00 0.00 0.00 44.72 44.12 1u89 s GLY 796 CO -0.07 3.31 0.48 0.50 0.00 0.00 0.00 173.10 177.32 1u89 s ARG 797 N 6.76 4.28 -0.32 2.90 0.52 -1.26 -4.79 118.95 127.04 1u89 s ARG 797 Ca 0.65 0.41 0.07 0.00 -0.52 0.00 0.00 55.73 56.34 1u89 s ARG 797 Cb -0.13 -3.48 0.46 0.00 0.52 0.00 0.00 34.95 32.32 1u89 s ARG 797 CO 0.21 0.04 1.34 0.66 0.02 0.00 0.00 175.30 177.57 1u89 n TYR 798 N 4.10 1.99 -0.11 -0.53 4.02 -1.26 -4.82 117.16 120.55 1u89 n TYR 798 Ca -0.06 -2.07 0.01 0.00 -0.01 0.00 0.00 57.90 55.77 1u89 n TYR 798 Cb 0.51 -0.47 0.30 0.00 -0.02 0.00 0.00 39.34 39.65 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 1.73 0.68 -0.48 7.72 1.82 -1.99 -1.05 116.42 124.84 1u89 h ASP 799 Ca 0.30 -0.05 -0.14 0.00 -0.39 0.00 0.00 57.03 56.75 1u89 h ASP 799 Cb 1.38 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 41.21 1u89 h ASP 799 CO 0.64 0.56 -0.24 1.56 -1.61 0.00 0.00 179.24 180.15 1u89 h GLN 800 N 0.77 1.00 -0.15 0.28 4.20 -1.98 0.26 115.11 119.49 1u89 h GLN 800 Ca 0.20 -0.44 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 1u89 h GLN 800 Cb 0.04 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1u89 h GLN 800 CO -0.03 1.12 0.06 0.00 -0.67 0.00 0.00 178.83 179.30 1u89 h ALA 801 N 0.86 0.19 -0.80 3.87 0.00 -1.66 0.16 119.26 121.88 1u89 h ALA 801 Ca 0.11 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1u89 h ALA 801 Cb 0.82 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1u89 h ALA 801 CO 0.07 -0.22 0.34 1.79 0.00 0.00 0.00 179.25 181.23 1u89 h THR 802 N 0.08 1.26 -0.30 0.00 1.35 -1.20 -1.81 112.91 112.30 1u89 h THR 802 Ca 0.05 -0.79 0.01 0.00 -0.55 0.00 0.00 66.41 65.13 1u89 h THR 802 Cb 0.18 0.28 -0.02 0.00 -1.73 0.00 0.00 68.15 66.86 1u89 h THR 802 CO -0.00 0.33 0.18 -0.78 -0.25 0.00 0.00 175.52 174.99 1u89 h ASP 803 N 1.16 0.29 -0.48 5.36 3.58 -0.67 -0.31 116.42 125.35 1u89 h ASP 803 Ca 0.27 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.74 1u89 h ASP 803 Cb 0.18 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 1u89 h ASP 803 CO -0.03 0.21 0.30 0.74 -2.88 0.00 0.00 179.24 177.59 1u89 h THR 804 N 0.36 1.08 0.35 2.25 2.02 -0.62 -0.55 112.91 117.80 1u89 h THR 804 Ca 0.12 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 1u89 h THR 804 Cb -0.01 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1u89 h THR 804 CO -0.05 0.11 -0.17 0.40 0.37 0.00 0.00 175.52 176.18 1u89 h ILE 805 N 0.60 0.67 -0.54 3.11 2.04 -1.02 0.12 117.51 122.49 1u89 h ILE 805 Ca 0.19 -0.07 0.08 0.00 1.00 0.00 0.00 64.86 66.06 1u89 h ILE 805 Cb -0.02 0.70 -0.07 0.00 -0.74 0.00 0.00 36.82 36.70 1u89 h ILE 805 CO -0.07 0.01 0.18 0.25 0.00 0.00 0.00 178.15 178.52 1u89 h LEU 806 N -0.51 0.15 -0.34 1.44 6.46 -0.87 0.19 115.31 121.85 1u89 h LEU 806 Ca -0.05 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 1u89 h LEU 806 Cb 0.38 0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.36 1u89 h LEU 806 CO 0.08 0.11 0.17 0.74 -0.62 0.00 0.00 178.44 178.92 1u89 h THR 807 N 0.35 1.15 -0.26 1.05 2.02 -0.96 -1.32 112.91 114.94 1u89 h THR 807 Ca 0.26 -0.40 0.03 0.00 0.77 0.00 0.00 66.41 67.07 1u89 h THR 807 Cb 0.32 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1u89 h THR 807 CO -0.28 0.15 0.09 0.58 0.37 0.00 0.00 175.52 176.43 1u89 h VAL 808 N 0.41 0.94 -0.76 3.16 2.07 0.26 0.29 116.25 122.62 1u89 h VAL 808 Ca 0.12 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 1u89 h VAL 808 Cb 0.09 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1u89 h VAL 808 CO -0.02 0.04 0.30 0.74 0.02 0.00 0.00 177.57 178.65 1u89 h THR 809 N 0.21 1.25 -0.74 2.57 2.02 -0.54 -1.63 112.91 116.05 1u89 h THR 809 Ca 0.11 -0.80 -0.03 0.00 0.77 0.00 0.00 66.41 66.46 1u89 h THR 809 Cb 0.08 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 1u89 h THR 809 CO -0.11 0.33 0.36 -0.08 0.37 0.00 0.00 175.52 176.39 1u89 h GLU 810 N 1.10 1.06 -0.77 6.66 4.57 -0.78 -2.17 114.58 124.26 1u89 h GLU 810 Ca 0.25 -0.15 0.01 0.00 -1.18 0.00 0.00 59.36 58.29 1u89 h GLU 810 Cb 0.21 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.57 1u89 h GLU 810 CO -0.02 0.83 0.51 -0.91 -1.18 0.00 0.00 179.01 178.24 1u89 h ASN 811 N 1.04 0.88 -0.37 1.04 2.35 -0.22 -1.40 115.58 118.90 1u89 h ASN 811 Ca 0.26 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.92 1u89 h ASN 811 Cb 0.11 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 1u89 h ASN 811 CO -0.03 0.63 0.00 0.40 -1.65 0.00 0.00 177.43 176.78 1u89 h ILE 812 N 1.03 1.23 -0.25 2.81 2.04 -0.72 0.55 117.51 124.21 1u89 h ILE 812 Ca 0.29 -0.96 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 1u89 h ILE 812 Cb -0.10 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1u89 h ILE 812 CO -0.06 0.34 0.15 -0.26 0.00 0.00 0.00 178.15 178.31 1u89 h PHE 813 N 0.70 0.33 -0.34 1.37 0.04 -0.73 0.26 116.94 118.57 1u89 h PHE 813 Ca 0.14 -0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.81 1u89 h PHE 813 Cb 0.43 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 1u89 h PHE 813 CO 0.02 0.25 -0.18 0.77 -0.60 0.00 0.00 178.31 178.57 1u89 h SER 814 N 0.30 0.62 -0.64 2.17 0.02 -1.10 -2.90 113.55 112.03 1u89 h SER 814 Ca 0.09 -0.19 -0.12 0.00 -0.84 0.00 0.00 61.79 60.72 1u89 h SER 814 Cb 0.02 -0.17 -0.07 0.00 0.14 0.00 0.00 62.40 62.32 1u89 h SER 814 CO -0.02 0.81 0.16 -1.20 -1.14 0.00 0.00 176.83 175.44 1u89 n SER 815 N -4.15 4.99 -4.55 3.07 7.64 0.16 -4.90 113.62 115.88 1u89 n SER 815 Ca 0.00 -3.03 -0.32 0.00 1.01 0.00 0.00 58.87 56.53 1u89 n SER 815 Cb 0.38 -0.71 -0.04 0.00 -1.01 0.00 0.00 64.21 62.83 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 -2.75 2.40 0.00 1.43 0.00 0.06 -0.95 119.30 119.49 1u89 s MET 816 Ca 0.51 0.48 0.00 0.00 0.00 0.00 0.00 55.69 56.68 1u89 s MET 816 Cb 0.40 -4.65 0.00 0.00 0.00 0.00 0.00 34.83 30.58 1u89 s MET 816 CO 0.14 -3.20 0.00 0.41 0.00 0.00 0.00 175.02 172.37 1u89 n GLY 817 N 6.20 0.76 0.15 2.11 0.00 -1.26 -4.82 105.19 108.32 1u89 n GLY 817 Ca 0.32 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.37 0.15 116.42 120.39 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 0.26 0.00 0.00 -2.88 0.00 0.00 179.24 176.62 1u89 n ALA 819 N -2.21 0.00 0.05 -0.78 0.00 -1.26 -4.29 120.51 112.02 1u89 n ALA 819 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1u89 n ALA 819 Cb 0.66 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.05 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 -0.08 1.14 0.00 0.00 -1.92 -0.70 103.07 101.52 1u89 h GLY 820 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 1u89 h GLY 820 CO 0.00 -0.07 0.48 -2.09 0.00 0.00 0.00 176.54 174.86 1u89 h GLU 821 N -0.11 1.13 0.15 4.80 4.57 -1.90 0.14 114.58 123.36 1u89 h GLU 821 Ca 0.02 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1u89 h GLU 821 Cb 0.14 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 1u89 h GLU 821 CO -0.06 0.81 -0.07 0.52 -1.18 0.00 0.00 179.01 179.03 1u89 h MET 822 N 1.15 -0.19 -0.68 1.92 2.86 -1.64 0.21 114.93 118.55 1u89 h MET 822 Ca 0.29 0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.89 1u89 h MET 822 Cb -0.02 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 1u89 h MET 822 CO -0.05 -0.11 0.18 0.28 1.06 0.00 0.00 176.91 178.27 1u89 h VAL 823 N -0.23 1.25 0.32 -2.22 2.07 -0.97 0.16 116.25 116.64 1u89 h VAL 823 Ca -0.02 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 1u89 h VAL 823 Cb 0.18 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1u89 h VAL 823 CO 0.03 0.35 -0.25 -0.09 0.02 0.00 0.00 177.57 177.63 1u89 h ARG 824 N 1.02 -0.56 -0.78 1.57 2.43 -0.55 0.18 114.38 117.69 1u89 h ARG 824 Ca 0.22 0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.38 1u89 h ARG 824 Cb 0.33 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 1u89 h ARG 824 CO -0.00 -0.37 0.30 1.96 -1.51 0.00 0.00 179.97 180.35 1u89 h GLN 825 N -0.58 1.17 -0.70 0.20 1.08 -0.46 -2.58 115.11 113.24 1u89 h GLN 825 Ca -0.02 -0.22 0.01 0.00 -1.45 0.00 0.00 58.65 56.97 1u89 h GLN 825 Cb 0.51 -0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 27.72 1u89 h GLN 825 CO -0.02 0.96 0.46 0.00 -0.95 0.00 0.00 178.83 179.29 1u89 h ALA 826 N 1.16 1.52 -0.55 3.87 0.00 -0.36 0.49 119.26 125.38 1u89 h ALA 826 Ca 0.26 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1u89 h ALA 826 Cb 0.23 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1u89 h ALA 826 CO -0.02 0.44 0.11 0.00 0.00 0.00 0.00 179.25 179.78 1u89 h ARG 827 N 0.93 0.89 -0.39 0.00 3.08 -0.58 0.12 114.38 118.44 1u89 h ARG 827 Ca 0.26 -0.23 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 1u89 h ARG 827 Cb -0.08 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 1u89 h ARG 827 CO -0.06 0.85 -0.25 0.82 -1.07 0.00 0.00 179.97 180.26 1u89 h ILE 828 N 0.79 1.27 -0.21 2.04 2.04 -1.03 -2.11 117.51 120.30 1u89 h ILE 828 Ca 0.17 -1.38 0.03 0.00 1.00 0.00 0.00 64.86 64.68 1u89 h ILE 828 Cb 0.38 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 1u89 h ILE 828 CO 0.01 0.46 0.03 0.25 0.00 0.00 0.00 178.15 178.90 1u89 h LEU 829 N 0.68 -0.00 -0.89 1.44 5.85 0.37 0.26 115.31 123.02 1u89 h LEU 829 Ca 0.09 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1u89 h LEU 829 Cb 0.77 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 1u89 h LEU 829 CO 0.06 0.03 0.44 0.00 -0.34 0.00 0.00 178.44 178.63 1u89 h ALA 830 N 1.16 1.14 -0.29 1.25 0.00 -0.90 -1.62 119.26 120.00 1u89 h ALA 830 Ca 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1u89 h ALA 830 Cb 0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1u89 h ALA 830 CO -0.13 0.66 0.05 0.37 0.00 0.00 0.00 179.25 180.20 1u89 h GLN 831 N 1.23 0.47 0.00 0.00 4.15 -0.77 -2.25 115.11 117.93 1u89 h GLN 831 Ca 0.30 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.60 1u89 h GLN 831 Cb 0.08 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.72 1u89 h GLN 831 CO -0.04 0.57 -0.00 0.00 -1.93 0.00 0.00 178.83 177.43 1u89 h ALA 832 N 0.88 -0.00 -0.11 3.38 0.00 -0.24 -2.82 119.26 120.35 1u89 h ALA 832 Ca 0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1u89 h ALA 832 Cb 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1u89 h ALA 832 CO 0.00 -0.39 -0.05 1.15 0.00 0.00 0.00 179.25 179.96 1u89 h THR 833 N -0.23 1.11 -0.44 0.00 2.02 -1.34 -0.56 112.91 113.47 1u89 h THR 833 Ca -0.00 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 66.73 1u89 h THR 833 Cb 0.23 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1u89 h THR 833 CO 0.00 0.14 0.28 0.28 0.37 0.00 0.00 175.52 176.60 1u89 h SER 834 N 0.16 0.48 -0.29 4.18 0.02 -1.16 0.16 113.55 117.10 1u89 h SER 834 Ca 0.04 -0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.82 1u89 h SER 834 Cb 0.20 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1u89 h SER 834 CO 0.01 0.35 -0.42 -0.78 -1.14 0.00 0.00 176.83 174.84 1u89 h ASP 835 N 0.58 0.91 0.21 3.07 3.58 -1.18 -1.65 116.42 121.94 1u89 h ASP 835 Ca 0.17 -0.43 -0.01 0.00 0.42 0.00 0.00 57.03 57.18 1u89 h ASP 835 Cb -0.04 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.75 1u89 h ASP 835 CO -0.05 1.20 -0.10 0.25 -2.88 0.00 0.00 179.24 177.66 1u89 h LEU 836 N 0.68 -0.24 -0.50 2.28 5.85 -0.69 0.71 115.31 123.40 1u89 h LEU 836 Ca 0.05 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.65 1u89 h LEU 836 Cb 1.00 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 1u89 h LEU 836 CO 0.10 -0.15 -0.11 0.58 -0.34 0.00 0.00 178.44 178.52 1u89 h VAL 837 N -0.31 1.27 -0.88 1.05 2.07 -0.72 -1.82 116.25 116.91 1u89 h VAL 837 Ca -0.03 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 1u89 h VAL 837 Cb 0.24 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1u89 h VAL 837 CO 0.05 0.43 0.48 -1.13 0.02 0.00 0.00 177.57 177.42 1u89 h ASN 838 N 0.82 1.10 -0.57 0.57 -1.24 -1.18 -0.22 115.58 114.86 1u89 h ASN 838 Ca 0.13 -0.10 -0.09 0.00 0.71 0.00 0.00 56.30 56.95 1u89 h ASN 838 Cb 0.66 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 39.41 1u89 h ASN 838 CO 0.05 0.89 0.02 0.00 -1.29 0.00 0.00 177.43 177.10 1u89 h ALA 839 N 1.26 0.77 -0.49 1.57 0.00 -0.59 -0.98 119.26 120.80 1u89 h ALA 839 Ca 0.31 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1u89 h ALA 839 Cb 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1u89 h ALA 839 CO -0.05 0.58 0.27 0.82 0.00 0.00 0.00 179.25 180.87 1u89 h ILE 840 N 0.89 1.17 -0.90 0.00 2.04 -0.88 -0.23 117.51 119.59 1u89 h ILE 840 Ca 0.16 -0.44 0.02 0.00 1.00 0.00 0.00 64.86 65.60 1u89 h ILE 840 Cb 0.52 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 1u89 h ILE 840 CO 0.03 0.18 0.60 0.50 0.00 0.00 0.00 178.15 179.45 1u89 h LYS 841 N 0.65 1.16 -0.38 2.37 3.64 -0.78 0.10 116.57 123.32 1u89 h LYS 841 Ca 0.17 -0.07 -0.16 0.00 -1.27 0.00 0.00 60.65 59.33 1u89 h LYS 841 Cb 0.05 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1u89 h LYS 841 CO -0.03 0.77 -0.37 0.00 -2.27 0.00 0.00 179.45 177.54 1u89 h ALA 842 N 1.45 0.60 -0.02 5.00 0.00 -0.66 -2.73 119.26 122.89 1u89 h ALA 842 Ca 0.34 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1u89 h ALA 842 Cb -0.09 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1u89 h ALA 842 CO -0.08 0.68 -0.09 0.22 0.00 0.00 0.00 179.25 179.98 1u89 h ASP 843 N 0.76 0.12 0.19 0.00 3.58 -0.59 -3.16 116.42 117.32 1u89 h ASP 843 Ca 0.06 -0.63 0.00 0.00 0.42 0.00 0.00 57.03 56.88 1u89 h ASP 843 Cb 0.96 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.98 1u89 h ASP 843 CO 0.09 0.73 0.00 0.00 -2.88 0.00 0.00 179.24 177.18 1u89 h ALA 844 N 0.39 1.00 -0.04 -0.78 0.00 -0.88 -1.07 119.26 117.88 1u89 h ALA 844 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1u89 h ALA 844 Cb 0.72 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1u89 h ALA 844 CO 0.02 0.00 -0.39 0.93 0.00 0.00 0.00 179.25 179.81 1u89 h GLU 845 N 0.00 0.08 -0.00 0.00 5.08 -1.44 -2.80 114.58 115.50 1u89 h GLU 845 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1u89 h GLU 845 Cb 0.10 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1u89 h GLU 845 CO 0.00 0.46 -0.50 0.41 -1.00 0.00 0.00 179.01 178.38 1u89 n GLY 846 N -0.36 -1.12 3.74 -3.84 0.00 -0.41 -4.90 105.19 98.30 1u89 n GLY 846 Ca -0.02 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.92 4.69 0.16 1.61 2.56 -1.06 -4.94 118.70 118.80 1u89 s GLU 847 Ca 0.13 1.57 0.17 0.00 0.00 0.00 0.00 54.97 56.84 1u89 s GLU 847 Cb 0.18 -3.31 -0.04 0.00 2.00 0.00 0.00 34.13 32.95 1u89 s GLU 847 CO 0.68 0.22 1.08 0.77 -0.56 0.00 0.00 175.26 177.45 1u89 h SER 848 N 5.08 0.00 -0.79 -1.70 0.02 -1.90 -3.42 113.55 110.83 1u89 h SER 848 Ca -0.44 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.18 1u89 h SER 848 Cb 1.21 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.70 1u89 h SER 848 CO 0.71 0.47 0.82 -0.62 -1.14 0.00 0.00 176.83 177.08 1u89 s ASP 849 N -5.98 5.27 0.44 3.07 -1.08 -1.26 -4.79 116.67 112.34 1u89 s ASP 849 Ca 0.00 -0.72 0.22 0.00 -0.52 0.00 0.00 52.55 51.53 1u89 s ASP 849 Cb 0.08 -2.56 0.99 0.00 -1.46 0.00 0.00 42.92 39.97 1u89 s ASP 849 CO 0.78 -2.62 1.87 -0.07 0.52 0.00 0.00 175.17 175.66 1u89 h LEU 850 N 17.36 0.00 -0.01 -1.34 -0.00 -1.96 0.13 115.31 129.49 1u89 h LEU 850 Ca 0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.97 1u89 h LEU 850 Cb 1.01 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.67 1u89 h LEU 850 CO 1.23 0.26 -0.01 -0.08 -0.00 0.00 0.00 178.44 179.84 1u89 h GLU 851 N 0.00 0.03 -0.59 1.13 4.57 -1.98 -1.49 114.58 116.24 1u89 h GLU 851 Ca -0.00 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.07 1u89 h GLU 851 Cb 0.65 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.22 1u89 h GLU 851 CO 0.03 0.50 -0.01 -0.97 -1.18 0.00 0.00 179.01 177.38 1u89 h ASN 852 N -0.44 1.03 -0.79 1.04 -1.24 -1.87 -1.84 115.58 111.48 1u89 h ASN 852 Ca 0.00 -0.31 -0.03 0.00 0.71 0.00 0.00 56.30 56.67 1u89 h ASN 852 Cb 0.49 -0.28 -0.04 0.00 0.73 0.00 0.00 38.32 39.23 1u89 h ASN 852 CO 0.00 1.09 0.36 0.77 -1.29 0.00 0.00 177.43 178.36 1u89 h SER 853 N 0.94 1.05 -0.37 1.15 4.64 -1.03 0.56 113.55 120.49 1u89 h SER 853 Ca 0.17 -0.13 0.02 0.00 -0.47 0.00 0.00 61.79 61.37 1u89 h SER 853 Cb 0.57 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.36 1u89 h SER 853 CO 0.03 0.90 0.22 0.03 -0.87 0.00 0.00 176.83 177.14 1u89 h ARG 854 N 1.14 0.43 -0.75 4.77 2.47 -0.90 -0.31 114.38 121.22 1u89 h ARG 854 Ca 0.27 -0.03 0.03 0.00 -1.26 0.00 0.00 59.98 59.00 1u89 h ARG 854 Cb 0.14 -0.10 -0.05 0.00 -1.65 0.00 0.00 29.97 28.32 1u89 h ARG 854 CO -0.03 0.28 0.47 0.87 0.56 0.00 0.00 179.97 182.13 1u89 h LYS 855 N 0.44 0.89 -0.04 0.04 1.79 -0.77 -0.48 116.57 118.44 1u89 h LYS 855 Ca 0.15 -0.05 0.01 0.00 -2.18 0.00 0.00 60.65 58.57 1u89 h LYS 855 Cb 0.01 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.45 1u89 h LYS 855 CO -0.07 0.59 -0.02 -0.07 -1.08 0.00 0.00 179.45 178.80 1u89 h LEU 856 N 0.91 -0.05 -0.58 2.94 3.38 -0.03 0.37 115.31 122.25 1u89 h LEU 856 Ca 0.30 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.25 1u89 h LEU 856 Cb 0.04 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1u89 h LEU 856 CO -0.12 -0.02 -0.19 -0.07 0.09 0.00 0.00 178.44 178.13 1u89 h LEU 857 N -0.01 0.00 -0.11 1.67 3.38 -0.92 -1.18 115.31 118.14 1u89 h LEU 857 Ca 0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 1u89 h LEU 857 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1u89 h LEU 857 CO -0.04 0.19 -0.43 0.28 0.09 0.00 0.00 178.44 178.53 1u89 h SER 858 N 0.00 0.56 -0.76 -0.43 0.02 -0.61 -1.06 113.55 111.27 1u89 h SER 858 Ca -0.00 -0.63 -0.05 0.00 -0.84 0.00 0.00 61.79 60.27 1u89 h SER 858 Cb 0.94 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.28 1u89 h SER 858 CO 0.03 1.09 0.27 0.00 -1.14 0.00 0.00 176.83 177.07 1u89 h ALA 859 N 0.48 1.03 -0.17 3.77 0.00 -0.78 -1.90 119.26 121.69 1u89 h ALA 859 Ca -0.02 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1u89 h ALA 859 Cb 1.06 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1u89 h ALA 859 CO 0.09 0.67 -0.14 0.00 0.00 0.00 0.00 179.25 179.86 1u89 h ALA 860 N 1.16 1.45 -0.65 0.00 0.00 -1.22 -1.69 119.26 118.30 1u89 h ALA 860 Ca 0.25 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1u89 h ALA 860 Cb 0.27 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1u89 h ALA 860 CO -0.01 0.39 0.22 -0.22 0.00 0.00 0.00 179.25 179.63 1u89 h LYS 861 N 0.26 1.00 -0.64 0.00 1.63 -0.43 -0.67 116.57 117.72 1u89 h LYS 861 Ca 0.05 -0.20 -0.02 0.00 -0.85 0.00 0.00 60.65 59.62 1u89 h LYS 861 Cb 0.42 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.87 1u89 h LYS 861 CO 0.02 0.86 0.31 0.82 -3.45 0.00 0.00 179.45 178.02 1u89 h ILE 862 N 0.93 1.22 0.08 2.00 2.04 -0.88 0.26 117.51 123.17 1u89 h ILE 862 Ca 0.21 -0.61 0.02 0.00 1.00 0.00 0.00 64.86 65.48 1u89 h ILE 862 Cb 0.27 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 1u89 h ILE 862 CO -0.01 0.25 -0.27 -0.07 0.00 0.00 0.00 178.15 178.05 1u89 h LEU 863 N 0.88 -0.79 -0.10 1.44 -0.00 -0.87 0.16 115.31 116.04 1u89 h LEU 863 Ca 0.22 0.10 -0.01 0.00 -0.00 0.00 0.00 57.88 58.19 1u89 h LEU 863 Cb 0.11 0.30 -0.00 0.00 -0.00 0.00 0.00 40.66 41.07 1u89 h LEU 863 CO -0.03 -0.36 0.04 0.00 -0.00 0.00 0.00 178.44 178.09 1u89 h ALA 864 N 0.28 0.13 -0.39 1.53 0.00 -0.95 -1.36 119.26 118.50 1u89 h ALA 864 Ca 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1u89 h ALA 864 Cb 0.51 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1u89 h ALA 864 CO -0.18 -0.28 0.21 0.22 0.00 0.00 0.00 179.25 179.21 1u89 h ASP 865 N -0.00 0.50 -0.39 0.00 1.82 -0.85 -2.01 116.42 115.49 1u89 h ASP 865 Ca 0.03 -0.10 -0.06 0.00 -0.39 0.00 0.00 57.03 56.51 1u89 h ASP 865 Cb 0.17 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.04 1u89 h ASP 865 CO -0.00 0.46 0.04 0.00 -1.61 0.00 0.00 179.24 178.13 1u89 h ALA 866 N 1.06 1.21 -0.81 -0.78 0.00 -0.93 -2.18 119.26 116.84 1u89 h ALA 866 Ca 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1u89 h ALA 866 Cb 0.07 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1u89 h ALA 866 CO -0.02 0.53 0.44 1.15 0.00 0.00 0.00 179.25 181.35 1u89 h THR 867 N 0.70 1.24 -0.34 0.00 2.02 -0.70 0.12 112.91 115.95 1u89 h THR 867 Ca 0.15 -0.61 -0.09 0.00 0.77 0.00 0.00 66.41 66.62 1u89 h THR 867 Cb 0.37 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 1u89 h THR 867 CO 0.01 0.27 -0.18 0.00 0.37 0.00 0.00 175.52 175.99 1u89 h ALA 868 N 1.23 1.05 -0.63 6.16 0.00 -1.01 0.37 119.26 126.43 1u89 h ALA 868 Ca 0.28 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1u89 h ALA 868 Cb 0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1u89 h ALA 868 CO -0.04 0.58 0.20 0.87 0.00 0.00 0.00 179.25 180.85 1u89 h LYS 869 N 0.56 0.97 0.01 0.00 1.57 -0.75 -0.64 116.57 118.31 1u89 h LYS 869 Ca 0.09 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1u89 h LYS 869 Cb 0.63 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1u89 h LYS 869 CO 0.04 0.86 -0.01 1.98 -0.57 0.00 0.00 179.45 181.75 1u89 h MET 870 N 0.90 -0.02 -0.80 3.15 4.05 -0.32 -0.73 114.93 121.16 1u89 h MET 870 Ca 0.20 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.63 1u89 h MET 870 Cb 0.29 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.05 1u89 h MET 870 CO -0.01 0.39 0.51 -0.24 0.23 0.00 0.00 176.91 177.79 1u89 h VAL 871 N -0.43 1.21 -0.05 -5.77 3.04 -0.24 0.18 116.25 114.20 1u89 h VAL 871 Ca -0.00 -0.43 -0.17 0.00 -1.01 0.00 0.00 66.70 65.09 1u89 h VAL 871 Cb 0.42 0.06 -0.01 0.00 -2.01 0.00 0.00 31.29 29.75 1u89 h VAL 871 CO 0.00 0.21 -0.71 -0.08 -1.01 0.00 0.00 177.57 175.99 1u89 h GLU 872 N 1.09 0.26 -0.29 4.17 4.57 -1.09 -1.03 114.58 122.26 1u89 h GLU 872 Ca 0.29 -0.21 -0.07 0.00 -1.18 0.00 0.00 59.36 58.19 1u89 h GLU 872 Cb -0.09 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 1u89 h GLU 872 CO -0.06 0.86 -0.10 0.00 -1.18 0.00 0.00 179.01 178.54 1u89 h ALA 873 N 1.08 0.40 -0.45 2.92 0.00 -0.32 0.19 119.26 123.07 1u89 h ALA 873 Ca -0.02 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1u89 h ALA 873 Cb 1.26 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1u89 h ALA 873 CO 0.11 0.25 0.03 0.00 0.00 0.00 0.00 179.25 179.64 1u89 h ALA 874 N 0.77 0.60 -0.38 0.00 0.00 -0.94 -2.47 119.26 116.83 1u89 h ALA 874 Ca 0.07 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1u89 h ALA 874 Cb 0.60 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1u89 h ALA 874 CO 0.03 0.36 -0.09 0.87 0.00 0.00 0.00 179.25 180.42 1u89 h LYS 875 N 0.62 0.65 0.00 0.00 1.57 -1.15 -1.88 116.57 116.38 1u89 h LYS 875 Ca 0.13 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1u89 h LYS 875 Cb 0.44 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1u89 h LYS 875 CO 0.02 0.74 0.00 0.41 -0.57 0.00 0.00 179.45 180.04 1u89 n GLY 876 N -0.57 -0.89 0.11 3.86 0.00 0.05 -2.54 105.19 105.20 1u89 n GLY 876 Ca 0.01 -0.17 0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.98 2.13 0.21 4.61 0.00 -0.74 -4.64 120.51 121.10 1u89 n ALA 877 Ca 0.21 -0.92 0.06 0.00 0.00 0.00 0.00 53.44 52.79 1u89 n ALA 877 Cb 0.09 -0.08 0.48 0.00 0.00 0.00 0.00 19.45 19.94 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 0.38 1.34 -0.51 0.00 0.00 -1.19 -1.58 119.26 117.69 1u89 h ALA 878 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1u89 h ALA 878 Cb 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1u89 h ALA 878 CO 0.00 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.59 1u89 n ALA 879 N -2.39 2.68 -3.53 0.00 0.00 -1.26 -4.66 120.51 111.34 1u89 n ALA 879 Ca -0.02 -1.05 -0.29 0.00 0.00 0.00 0.00 53.44 52.08 1u89 n ALA 879 Cb 0.35 -0.99 -0.12 0.00 0.00 0.00 0.00 19.45 18.69 1u89 n ALA 879 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1u89 s HIS 880 N -1.52 1.21 0.88 0.00 5.04 -0.60 -5.13 115.29 115.17 1u89 s HIS 880 Ca 0.37 -2.02 -0.15 0.00 -1.54 0.00 0.00 55.06 51.72 1u89 s HIS 880 Cb 0.22 -1.22 0.21 0.00 0.04 0.00 0.00 32.58 31.82 1u89 s HIS 880 CO 0.21 -0.81 1.07 -2.30 -2.34 0.00 0.00 174.74 170.57 1u89 n PRO 881 N 3.61 -1.56 -1.35 2.88 -0.02 -1.26 -4.74 135.00 132.56 1u89 n PRO 881 Ca 0.15 -1.66 -0.39 0.00 -2.02 0.00 0.00 63.50 59.58 1u89 n PRO 881 Cb 0.38 -1.21 -0.02 0.00 -0.02 0.00 0.00 33.50 32.63 1u89 n PRO 881 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1u89 n ASP 882 N -3.95 4.53 -3.06 2.55 -0.08 0.52 -4.73 116.55 112.33 1u89 n ASP 882 Ca 0.14 -2.67 -0.00 0.00 -1.51 0.00 0.00 54.79 50.74 1u89 n ASP 882 Cb 0.49 -1.41 0.01 0.00 2.34 0.00 0.00 41.12 42.56 1u89 n ASP 882 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1u89 n SER 883 N 5.75 -1.22 -2.92 1.67 7.64 -1.26 -5.02 113.62 118.26 1u89 n SER 883 Ca 0.55 -1.50 -0.21 0.00 1.01 0.00 0.00 58.87 58.72 1u89 n SER 883 Cb 0.33 1.95 0.04 0.00 -1.01 0.00 0.00 64.21 65.52 1u89 n SER 883 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1u89 n GLU 884 N -0.66 -5.27 -3.65 1.43 -0.58 -1.26 -4.99 120.64 105.66 1u89 n GLU 884 Ca 0.01 0.81 -0.33 0.00 -0.42 0.00 0.00 57.16 57.23 1u89 n GLU 884 Cb 0.47 -5.55 -0.05 0.00 -0.57 0.00 0.00 31.44 25.75 1u89 n GLU 884 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1u89 s GLU 885 N -5.76 3.66 0.00 3.49 2.02 -1.26 -5.10 118.70 115.75 1u89 s GLU 885 Ca 0.35 -0.01 0.00 0.00 0.02 0.00 0.00 54.97 55.33 1u89 s GLU 885 Cb -0.15 -2.89 0.00 0.00 0.10 0.00 0.00 34.13 31.18 1u89 s GLU 885 CO 0.43 0.50 0.00 1.04 0.02 0.00 0.00 175.26 177.25 1u89 n GLN 886 N 0.36 0.59 0.00 1.61 1.13 -1.26 -5.03 117.38 114.78 1u89 n GLN 886 Ca -0.04 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.15 1u89 n GLN 886 Cb 0.52 0.00 0.35 0.00 0.11 0.00 0.00 30.24 31.22 1u89 n GLN 886 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1u89 n GLN 887 N 0.00 1.19 -3.24 -1.09 6.02 -1.26 -4.95 117.38 114.05 1u89 n GLN 887 Ca 0.00 -0.77 -0.16 0.00 -0.01 0.00 0.00 57.00 56.06 1u89 n GLN 887 Cb 0.00 -1.48 0.06 0.00 1.02 0.00 0.00 30.24 29.83 1u89 n GLN 887 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1u89 n GLN 888 N -0.24 -5.56 0.00 -1.09 3.00 -1.26 -4.95 117.38 107.29 1u89 n GLN 888 Ca 0.14 0.60 0.00 0.00 -0.01 0.00 0.00 57.00 57.72 1u89 n GLN 888 Cb 0.38 -4.92 0.00 0.00 0.00 0.00 0.00 30.24 25.70 1u89 n GLN 888 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95