#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d5g s ASP 751 N 0.00 -0.01 0.36 0.00 -1.08 -1.26 -5.10 116.67 109.58 2d5g s ASP 751 Ca 0.00 -0.76 0.06 0.00 -0.52 0.00 0.00 52.55 51.32 2d5g s ASP 751 Cb 0.00 0.45 -0.02 0.00 -1.46 0.00 0.00 42.92 41.89 2d5g s ASP 751 CO 0.00 -0.90 0.21 -1.54 0.52 0.00 0.00 175.17 173.46 2d5g n SER 752 N -0.22 0.25 -3.99 -0.34 3.41 -1.26 -1.87 113.62 109.60 2d5g n SER 752 Ca -0.09 -3.11 -0.11 0.00 -0.26 0.00 0.00 58.87 55.30 2d5g n SER 752 Cb 0.63 1.31 -0.12 0.00 -0.26 0.00 0.00 64.21 65.77 2d5g n SER 752 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2d5g s ILE 753 N -3.18 0.25 -0.40 -1.33 1.01 0.45 -4.46 121.20 113.55 2d5g s ILE 753 Ca 0.29 -0.82 -0.25 0.00 0.00 0.00 0.00 60.65 59.88 2d5g s ILE 753 Cb 0.01 -0.35 0.02 0.00 0.01 0.00 0.00 42.46 42.16 2d5g s ILE 753 CO 0.21 -0.37 0.86 -0.69 0.00 0.00 0.00 174.94 174.95 2d5g s VAL 754 N -1.19 4.60 -0.16 2.92 1.01 -1.26 -0.68 120.40 125.64 2d5g s VAL 754 Ca -0.11 0.88 -0.08 0.00 0.00 0.00 0.00 61.98 62.66 2d5g s VAL 754 Cb -0.08 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 2d5g s VAL 754 CO -0.00 -0.61 0.11 -0.69 0.00 0.00 0.00 175.10 173.90 2d5g s VAL 755 N 3.42 5.25 -0.02 2.92 1.01 -0.49 -0.70 120.40 131.80 2d5g s VAL 755 Ca 0.35 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.44 2d5g s VAL 755 Cb -0.12 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.93 2d5g s VAL 755 CO 0.21 0.51 0.04 0.00 0.00 0.00 0.00 175.10 175.86 2d5g s ALA 756 N -0.17 -0.06 0.03 5.51 0.00 0.53 -0.79 121.76 126.82 2d5g s ALA 756 Ca 0.10 0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.31 2d5g s ALA 756 Cb -0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 2d5g s ALA 756 CO 0.01 -0.05 -0.13 1.52 0.00 0.00 0.00 175.76 177.11 2d5g s TYR 757 N 0.41 1.10 -0.27 0.00 1.13 -0.26 -0.37 117.35 119.10 2d5g s TYR 757 Ca -0.03 -0.34 -0.21 0.00 -1.41 0.00 0.00 57.07 55.08 2d5g s TYR 757 Cb -0.05 -0.66 -0.01 0.00 -1.10 0.00 0.00 41.96 40.14 2d5g s TYR 757 CO -0.01 0.02 0.66 0.71 -2.51 0.00 0.00 175.55 174.41 2d5g s TYR 758 N -0.80 3.26 -0.18 -3.49 1.51 0.21 -1.57 117.35 116.30 2d5g s TYR 758 Ca 0.01 0.79 -0.08 0.00 -1.01 0.00 0.00 57.07 56.78 2d5g s TYR 758 Cb -0.07 -2.92 -0.04 0.00 -0.11 0.00 0.00 41.96 38.82 2d5g s TYR 758 CO 0.01 -0.38 0.10 0.12 -1.11 0.00 0.00 175.55 174.29 2d5g s PHE 759 N 2.59 3.38 -0.12 2.71 5.99 -1.26 -0.22 117.98 131.03 2d5g s PHE 759 Ca 0.27 0.27 0.00 0.00 0.00 0.00 0.00 56.93 57.47 2d5g s PHE 759 Cb -0.15 -2.08 0.00 0.00 0.00 0.00 0.00 43.02 40.79 2d5g s PHE 759 CO 0.09 0.33 0.00 0.00 -0.00 0.00 0.00 175.22 175.64 2d5g n GLY 761 N 0.02 0.94 3.77 0.00 0.00 -1.26 -4.91 105.19 103.75 2d5g n GLY 761 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 2d5g n GLY 761 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2d5g s GLU 762 N -0.91 4.30 0.09 1.61 2.02 0.85 -4.98 118.70 121.68 2d5g s GLU 762 Ca 0.00 2.13 -0.29 0.00 0.02 0.00 0.00 54.97 56.82 2d5g s GLU 762 Cb 0.00 -3.00 -0.14 0.00 0.10 0.00 0.00 34.13 31.09 2d5g s GLU 762 CO 0.00 -0.20 1.64 -1.00 0.02 0.00 0.00 175.26 175.72 2d5g h PRO 763 N 3.25 -0.60 -6.13 0.39 0.13 -1.98 -3.40 132.00 123.66 2d5g h PRO 763 Ca -0.49 0.04 -0.56 0.00 -0.87 0.00 0.00 66.00 64.13 2d5g h PRO 763 Cb 1.23 0.14 -0.05 0.00 0.13 0.00 0.00 31.00 32.45 2d5g h PRO 763 CO 0.65 -0.40 0.23 0.42 -0.23 0.00 0.00 178.00 178.67 2d5g s ILE 764 N -6.06 4.96 0.72 -3.56 1.01 -1.26 -5.04 121.20 111.98 2d5g s ILE 764 Ca -0.16 1.66 -0.08 0.00 0.00 0.00 0.00 60.65 62.07 2d5g s ILE 764 Cb 0.06 -4.14 0.06 0.00 0.01 0.00 0.00 42.46 38.44 2d5g s ILE 764 CO 0.64 0.18 1.05 -2.16 0.00 0.00 0.00 174.94 174.65 2d5g s PRO 765 N 1.14 2.23 -0.16 2.79 0.04 -1.26 -4.78 135.00 134.99 2d5g s PRO 765 Ca 0.42 -0.10 -0.04 0.00 0.04 0.00 0.00 61.00 61.32 2d5g s PRO 765 Cb -0.18 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 2d5g s PRO 765 CO 0.20 -1.28 -0.02 0.71 0.04 0.00 0.00 177.00 176.65 2d5g s TYR 766 N -3.32 3.07 0.08 0.56 4.12 -0.61 -4.95 117.35 116.31 2d5g s TYR 766 Ca 0.60 -0.24 0.10 0.00 0.02 0.00 0.00 57.07 57.55 2d5g s TYR 766 Cb -0.11 -1.99 -0.03 0.00 -1.52 0.00 0.00 41.96 38.31 2d5g s TYR 766 CO 0.46 -0.01 -0.26 -1.83 0.02 0.00 0.00 175.55 173.93 2d5g s GLU 767 N 0.41 1.58 -0.07 -0.62 -1.05 -1.26 -1.10 118.70 116.58 2d5g s GLU 767 Ca -0.02 -1.21 -0.31 0.00 -0.15 0.00 0.00 54.97 53.28 2d5g s GLU 767 Cb -0.14 -1.90 0.08 0.00 -0.44 0.00 0.00 34.13 31.74 2d5g s GLU 767 CO 0.02 0.47 0.76 -0.08 0.95 0.00 0.00 175.26 177.38 2d5g s THR 768 N -0.93 0.00 0.21 1.83 -1.32 0.03 -4.99 115.64 110.47 2d5g s THR 768 Ca 0.12 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.32 2d5g s THR 768 Cb -0.10 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.80 2d5g s THR 768 CO 0.04 0.00 0.89 -0.76 -2.21 0.00 0.00 174.62 172.58 2d5g s LEU 769 N -1.20 4.63 -0.05 9.08 1.02 -1.26 -1.39 118.68 129.51 2d5g s LEU 769 Ca -0.08 1.85 0.01 0.00 0.02 0.00 0.00 54.13 55.92 2d5g s LEU 769 Cb -0.00 -3.51 0.02 0.00 0.02 0.00 0.00 46.19 42.72 2d5g s LEU 769 CO 0.07 0.17 -0.03 -0.69 0.02 0.00 0.00 176.35 175.89 2d5g s VAL 770 N -1.15 0.48 -0.30 -1.59 1.01 0.14 -4.93 120.40 114.08 2d5g s VAL 770 Ca 0.39 -0.06 -0.19 0.00 0.00 0.00 0.00 61.98 62.12 2d5g s VAL 770 Cb -0.25 -0.54 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 2d5g s VAL 770 CO 0.30 0.23 0.59 -0.13 0.00 0.00 0.00 175.10 176.08 2d5g s ARG 771 N 1.12 3.93 0.00 2.72 0.52 -1.26 0.17 118.95 126.15 2d5g s ARG 771 Ca -0.08 0.27 0.00 0.00 -0.52 0.00 0.00 55.73 55.40 2d5g s ARG 771 Cb -0.14 -3.71 0.00 0.00 0.52 0.00 0.00 34.95 31.62 2d5g s ARG 771 CO -0.01 -0.51 0.00 0.41 0.02 0.00 0.00 175.30 175.21 2d5g n GLY 772 N 4.44 0.00 1.56 -3.53 0.00 -0.78 -4.93 105.19 101.96 2d5g n GLY 772 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 2d5g n GLY 772 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2d5g n ARG 773 N 0.00 -1.26 -2.97 1.61 3.00 -1.22 -4.75 116.66 111.07 2d5g n ARG 773 Ca 0.00 0.36 0.04 0.00 -0.00 0.00 0.00 57.85 58.25 2d5g n ARG 773 Cb 0.00 -4.52 0.00 0.00 0.00 0.00 0.00 32.46 27.95 2d5g n ARG 773 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2d5g s ALA 774 N -1.60 -4.51 0.01 5.13 0.00 -1.26 -5.02 121.76 114.51 2d5g s ALA 774 Ca 0.00 1.42 -0.06 0.00 0.00 0.00 0.00 51.96 53.32 2d5g s ALA 774 Cb 0.00 -2.96 -0.05 0.00 0.00 0.00 0.00 23.12 20.11 2d5g s ALA 774 CO 0.00 -2.31 0.26 0.08 0.00 0.00 0.00 175.76 173.79 2d5g s VAL 775 N 2.57 5.32 0.26 0.00 1.01 -1.26 -4.98 120.40 123.31 2d5g s VAL 775 Ca 0.24 0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.42 2d5g s VAL 775 Cb 0.02 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 2d5g s VAL 775 CO -0.20 0.36 0.19 0.42 0.00 0.00 0.00 175.10 175.87 2d5g s THR 776 N -1.31 4.36 0.37 3.92 -4.23 -1.26 -0.75 115.64 116.73 2d5g s THR 776 Ca 0.28 -1.44 0.09 0.00 -1.18 0.00 0.00 61.69 59.44 2d5g s THR 776 Cb -0.13 -3.36 0.32 0.00 1.34 0.00 0.00 72.50 70.67 2d5g s THR 776 CO 0.16 -0.35 1.90 0.25 -0.54 0.00 0.00 174.62 176.05 2d5g h LEU 777 N 1.51 0.62 -0.47 4.79 5.85 -1.35 0.39 115.31 126.65 2d5g h LEU 777 Ca -0.48 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.18 2d5g h LEU 777 Cb 1.24 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 2d5g h LEU 777 CO 0.61 0.35 -0.02 1.23 -0.34 0.00 0.00 178.44 180.26 2d5g h GLY 778 N 0.68 0.91 1.26 3.75 0.00 -1.45 0.91 103.07 109.14 2d5g h GLY 778 Ca 0.40 -0.69 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 2d5g h GLY 778 CO -0.16 0.63 0.16 1.46 0.00 0.00 0.00 176.54 178.63 2d5g h GLN 779 N 0.69 0.92 0.18 4.80 4.20 -1.27 -2.40 115.11 122.24 2d5g h GLN 779 Ca 0.13 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 2d5g h GLN 779 Cb 0.54 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2d5g h GLN 779 CO 0.03 0.81 -0.09 0.35 -0.67 0.00 0.00 178.83 179.26 2d5g h PHE 780 N 0.89 -0.23 -0.87 2.96 3.04 0.52 -2.90 116.94 120.35 2d5g h PHE 780 Ca 0.20 -0.01 0.24 0.00 3.98 0.00 0.00 57.97 62.38 2d5g h PHE 780 Cb 0.29 0.08 -0.04 0.00 2.56 0.00 0.00 35.95 38.84 2d5g h PHE 780 CO 0.02 0.08 0.62 0.87 -2.02 0.00 0.00 178.31 177.87 2d5g h LYS 781 N -0.54 0.05 0.00 1.11 1.57 0.10 0.47 116.57 119.34 2d5g h LYS 781 Ca -0.03 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2d5g h LYS 781 Cb 0.41 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 2d5g h LYS 781 CO 0.04 0.03 -0.02 0.93 -0.57 0.00 0.00 179.45 179.87 2d5g h GLU 782 N 0.05 0.00 0.00 3.15 5.08 -1.22 -1.88 114.58 119.77 2d5g h GLU 782 Ca 0.42 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.68 2d5g h GLU 782 Cb 1.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 2d5g h GLU 782 CO -0.03 0.02 -0.47 -0.07 -1.00 0.00 0.00 179.01 177.46 2d5g h LEU 783 N 0.00 0.00 -9.83 1.33 3.38 -0.11 -3.46 115.31 106.61 2d5g h LEU 783 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 2d5g h LEU 783 Cb 0.22 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.03 2d5g h LEU 783 CO 0.00 0.47 0.64 -0.76 0.09 0.00 0.00 178.44 178.88 2d5g s LEU 784 N -6.53 4.43 -0.01 1.67 1.02 -0.71 -4.93 118.68 113.62 2d5g s LEU 784 Ca 0.03 2.61 0.12 0.00 0.02 0.00 0.00 54.13 56.91 2d5g s LEU 784 Cb 0.08 -3.64 -0.23 0.00 0.02 0.00 0.00 46.19 42.43 2d5g s LEU 784 CO 0.73 -0.52 0.78 0.71 0.02 0.00 0.00 176.35 178.08 2d5g h THR 785 N 3.18 1.00 -3.56 5.49 1.35 -1.89 -3.48 112.91 115.00 2d5g h THR 785 Ca -0.48 -2.83 -0.67 0.00 -0.55 0.00 0.00 66.41 61.89 2d5g h THR 785 Cb 1.22 2.49 -0.16 0.00 -1.73 0.00 0.00 68.15 69.98 2d5g h THR 785 CO 0.68 0.57 -0.73 -0.54 -0.25 0.00 0.00 175.52 175.25 2d5g s LYS 786 N -2.62 2.19 0.45 4.72 3.01 -1.26 -5.12 119.74 121.10 2d5g s LYS 786 Ca -0.04 -0.99 -0.01 0.00 -1.01 0.00 0.00 55.97 53.93 2d5g s LYS 786 Cb 0.08 -2.33 -0.01 0.00 -1.01 0.00 0.00 37.83 34.56 2d5g s LYS 786 CO 0.82 0.52 0.69 -1.59 0.51 0.00 0.00 175.35 176.30 2d5g s LYS 787 N -2.13 3.18 0.00 1.68 -2.85 -1.26 -5.03 119.74 113.33 2d5g s LYS 787 Ca 0.21 -0.33 0.00 0.00 -1.00 0.00 0.00 55.97 54.86 2d5g s LYS 787 Cb -0.11 -2.52 0.00 0.00 -2.06 0.00 0.00 37.83 33.14 2d5g s LYS 787 CO 0.13 -0.24 0.00 0.41 0.10 0.00 0.00 175.35 175.75 2d5g n GLY 788 N -2.11 0.76 3.55 0.59 0.00 -1.26 -5.05 105.19 101.68 2d5g n GLY 788 Ca 0.01 -2.03 -0.37 0.00 0.00 0.00 0.00 46.02 43.62 2d5g n GLY 788 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d5g s SER 789 N -4.00 5.70 0.29 1.61 0.01 -1.26 -5.08 113.70 110.97 2d5g s SER 789 Ca 0.00 -0.06 0.05 0.00 1.31 0.00 0.00 55.95 57.25 2d5g s SER 789 Cb 0.00 -2.04 -0.06 0.00 0.21 0.00 0.00 66.02 64.13 2d5g s SER 789 CO 0.00 -0.02 -0.00 -0.31 0.41 0.00 0.00 173.24 173.32 2d5g s TYR 790 N 1.53 1.91 0.12 2.43 2.02 -1.26 -2.03 117.35 122.07 2d5g s TYR 790 Ca 0.07 -0.83 0.07 0.00 -0.37 0.00 0.00 57.07 56.00 2d5g s TYR 790 Cb -0.15 -1.17 -0.04 0.00 -0.40 0.00 0.00 41.96 40.20 2d5g s TYR 790 CO 0.07 0.13 -0.07 1.03 -1.57 0.00 0.00 175.55 175.14 2d5g s ARG 791 N -3.81 2.21 -0.16 -0.62 0.52 0.96 -4.87 118.95 113.17 2d5g s ARG 791 Ca 0.32 -1.03 0.01 0.00 -0.52 0.00 0.00 55.73 54.52 2d5g s ARG 791 Cb 0.06 -2.33 0.02 0.00 0.52 0.00 0.00 34.95 33.22 2d5g s ARG 791 CO 0.13 0.50 -0.19 0.71 0.02 0.00 0.00 175.30 176.47 2d5g s TYR 792 N -1.32 2.62 0.01 -0.53 1.51 -1.26 -1.84 117.35 116.53 2d5g s TYR 792 Ca 0.23 -1.48 0.06 0.00 -1.01 0.00 0.00 57.07 54.87 2d5g s TYR 792 Cb -0.11 -1.82 -0.02 0.00 -0.11 0.00 0.00 41.96 39.90 2d5g s TYR 792 CO 0.15 -0.73 -0.19 0.71 -1.11 0.00 0.00 175.55 174.38 2d5g s TYR 793 N 1.21 1.68 -0.02 2.71 2.02 -0.79 -0.48 117.35 123.67 2d5g s TYR 793 Ca 0.02 -0.34 0.02 0.00 -0.37 0.00 0.00 57.07 56.40 2d5g s TYR 793 Cb -0.14 -1.04 0.01 0.00 -0.40 0.00 0.00 41.96 40.39 2d5g s TYR 793 CO -0.10 0.02 -0.06 -0.06 -1.57 0.00 0.00 175.55 173.79 2d5g s PHE 794 N -0.61 0.67 0.71 2.71 0.08 0.13 -0.03 117.98 121.64 2d5g s PHE 794 Ca 0.07 -0.15 -0.16 0.00 0.12 0.00 0.00 56.93 56.80 2d5g s PHE 794 Cb -0.08 -0.52 0.01 0.00 -0.57 0.00 0.00 43.02 41.86 2d5g s PHE 794 CO 0.00 -0.10 1.12 1.63 -0.10 0.00 0.00 175.22 177.78 2d5g n LYS 795 N 3.46 0.67 -3.63 0.44 5.02 0.71 -0.34 118.16 124.48 2d5g n LYS 795 Ca -0.19 0.29 -0.11 0.00 -2.02 0.00 0.00 58.31 56.27 2d5g n LYS 795 Cb 0.54 -2.36 -0.07 0.00 -0.02 0.00 0.00 35.03 33.12 2d5g n LYS 795 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2d5g s LYS 796 N -3.45 0.66 0.02 1.97 2.20 -0.35 -4.55 119.74 116.24 2d5g s LYS 796 Ca 0.77 0.78 -0.30 0.00 -0.36 0.00 0.00 55.97 56.86 2d5g s LYS 796 Cb -0.35 0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 36.25 2d5g s LYS 796 CO 0.47 -0.08 1.03 0.14 -0.36 0.00 0.00 175.35 176.55 2d5g s VAL 797 N 0.30 4.64 -0.06 4.02 -7.23 -1.26 -0.72 120.40 120.09 2d5g s VAL 797 Ca 0.02 1.92 -0.01 0.00 -1.81 0.00 0.00 61.98 62.09 2d5g s VAL 797 Cb -0.05 -4.23 0.03 0.00 0.56 0.00 0.00 36.38 32.69 2d5g s VAL 797 CO -0.03 0.16 0.02 -0.55 -0.31 0.00 0.00 175.10 174.39 2d5g s SER 798 N 0.94 1.31 0.00 4.85 0.15 -1.14 -4.88 113.70 114.93 2d5g s SER 798 Ca 0.53 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 57.16 2d5g s SER 798 Cb -0.23 -0.32 0.00 0.00 -1.71 0.00 0.00 66.02 63.76 2d5g s SER 798 CO 0.29 -0.20 0.76 -0.90 1.20 0.00 0.00 173.24 174.39 2d5g n ASP 799 N 5.07 0.23 -1.06 5.45 3.85 -1.26 -3.33 116.55 125.50 2d5g n ASP 799 Ca -0.08 -1.75 0.08 0.00 -0.71 0.00 0.00 54.79 52.32 2d5g n ASP 799 Cb 0.50 -0.11 0.26 0.00 -1.35 0.00 0.00 41.12 40.42 2d5g n ASP 799 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2d5g n GLU 800 N -0.35 3.21 -3.77 0.11 1.02 -1.26 -4.95 120.64 114.64 2d5g n GLU 800 Ca 0.00 -2.60 -0.13 0.00 -0.02 0.00 0.00 57.16 54.41 2d5g n GLU 800 Cb 0.06 -1.68 -0.12 0.00 -0.02 0.00 0.00 31.44 29.68 2d5g n GLU 800 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2d5g s PHE 801 N -1.89 -0.28 0.28 -0.32 0.08 -1.21 -5.06 117.98 109.58 2d5g s PHE 801 Ca 0.39 0.67 0.35 0.00 0.12 0.00 0.00 56.93 58.46 2d5g s PHE 801 Cb 0.27 0.07 1.61 0.00 -0.57 0.00 0.00 43.02 44.40 2d5g s PHE 801 CO 0.17 -0.16 2.08 -0.44 -0.10 0.00 0.00 175.22 176.77 2d5g h ASP 802 N 6.23 0.00 1.46 1.36 3.32 -1.92 0.98 116.42 127.84 2d5g h ASP 802 Ca -0.30 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.68 2d5g h ASP 802 Cb 1.18 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 2d5g h ASP 802 CO 0.37 0.03 -0.56 0.00 -1.72 0.00 0.00 179.24 177.36 2d5g n GLY 804 N 1.21 0.75 3.15 0.00 0.00 0.34 -5.06 105.19 105.57 2d5g n GLY 804 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2d5g n GLY 804 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d5g s VAL 805 N -2.00 0.16 0.17 1.61 1.01 -1.26 -2.89 120.40 117.20 2d5g s VAL 805 Ca 0.00 -1.33 -0.01 0.00 0.00 0.00 0.00 61.98 60.63 2d5g s VAL 805 Cb 0.00 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 2d5g s VAL 805 CO 0.00 -0.74 0.10 0.68 0.00 0.00 0.00 175.10 175.15 2d5g s VAL 806 N -3.51 0.05 -0.33 2.92 -7.23 0.10 -4.74 120.40 107.67 2d5g s VAL 806 Ca 0.03 -1.93 -0.07 0.00 -1.81 0.00 0.00 61.98 58.20 2d5g s VAL 806 Cb 0.04 -2.25 0.02 0.00 0.56 0.00 0.00 36.38 34.75 2d5g s VAL 806 CO -0.09 -0.24 0.11 -0.36 -0.31 0.00 0.00 175.10 174.21 2d5g s PHE 807 N -4.10 3.21 -0.03 2.82 0.40 -1.26 -1.21 117.98 117.80 2d5g s PHE 807 Ca 0.31 -1.16 -0.23 0.00 -0.60 0.00 0.00 56.93 55.25 2d5g s PHE 807 Cb 0.07 -2.29 -0.04 0.00 0.51 0.00 0.00 43.02 41.26 2d5g s PHE 807 CO 0.07 -0.65 0.68 -2.00 0.70 0.00 0.00 175.22 174.02 2d5g s GLU 808 N 1.47 4.42 0.21 0.44 2.12 0.53 -4.68 118.70 123.22 2d5g s GLU 808 Ca 0.01 0.87 -0.30 0.00 0.36 0.00 0.00 54.97 55.91 2d5g s GLU 808 Cb -0.18 -3.41 -0.08 0.00 0.26 0.00 0.00 34.13 30.71 2d5g s GLU 808 CO 0.03 0.17 1.00 -2.00 -0.54 0.00 0.00 175.26 173.92 2d5g s GLU 809 N 0.43 4.75 -0.06 4.30 2.12 -1.26 0.18 118.70 129.16 2d5g s GLU 809 Ca 0.36 1.58 0.03 0.00 0.36 0.00 0.00 54.97 57.29 2d5g s GLU 809 Cb -0.18 -3.28 0.01 0.00 0.26 0.00 0.00 34.13 30.94 2d5g s GLU 809 CO 0.19 0.34 -0.13 0.08 -0.54 0.00 0.00 175.26 175.19 2d5g s VAL 810 N -0.83 1.21 0.02 3.70 1.01 0.37 -4.96 120.40 120.93 2d5g s VAL 810 Ca 0.44 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 2d5g s VAL 810 Cb -0.27 -1.09 -0.00 0.00 0.00 0.00 0.00 36.38 35.01 2d5g s VAL 810 CO 0.34 0.37 -0.02 -1.14 0.00 0.00 0.00 175.10 174.65 2d5g n ARG 811 N 3.69 0.03 -1.51 2.72 3.00 -1.26 -4.30 116.66 119.03 2d5g n ARG 811 Ca -0.22 0.01 -0.48 0.00 -0.00 0.00 0.00 57.85 57.16 2d5g n ARG 811 Cb 0.52 -0.30 -0.03 0.00 0.00 0.00 0.00 32.46 32.64 2d5g n ARG 811 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2d5g n GLU 812 N -2.97 0.67 -0.00 -0.14 1.02 -1.26 -4.88 120.64 113.09 2d5g n GLU 812 Ca -0.01 0.24 -0.15 0.00 -0.02 0.00 0.00 57.16 57.22 2d5g n GLU 812 Cb 0.03 -1.52 -0.04 0.00 -0.02 0.00 0.00 31.44 29.89 2d5g n GLU 812 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2d5g h ASP 813 N 2.09 0.80 0.87 1.62 3.32 -1.95 -3.26 116.42 119.91 2d5g h ASP 813 Ca -0.37 -0.52 0.00 0.00 0.02 0.00 0.00 57.03 56.16 2d5g h ASP 813 Cb 1.39 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.70 2d5g h ASP 813 CO 0.62 1.30 0.00 -0.62 -1.72 0.00 0.00 179.24 178.82 2d5g n GLU 814 N -3.91 0.07 -2.12 3.56 -0.58 -1.26 -1.21 120.64 115.20 2d5g n GLU 814 Ca -0.06 0.03 -0.35 0.00 -0.42 0.00 0.00 57.16 56.35 2d5g n GLU 814 Cb 0.73 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 30.12 2d5g n GLU 814 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2d5g s ALA 815 N -2.92 2.61 -0.08 0.62 0.00 -1.23 -4.84 121.76 115.92 2d5g s ALA 815 Ca 0.16 0.87 -0.19 0.00 0.00 0.00 0.00 51.96 52.80 2d5g s ALA 815 Cb 0.18 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 2d5g s ALA 815 CO 0.49 -0.97 0.52 0.42 0.00 0.00 0.00 175.76 176.21 2d5g s ILE 816 N -1.75 5.10 0.22 0.00 -1.09 -1.26 -2.36 121.20 120.06 2d5g s ILE 816 Ca 0.74 1.05 -0.30 0.00 -2.23 0.00 0.00 60.65 59.91 2d5g s ILE 816 Cb -0.26 -3.85 -0.09 0.00 -1.58 0.00 0.00 42.46 36.68 2d5g s ILE 816 CO 0.31 0.36 0.95 -0.76 -1.23 0.00 0.00 174.94 174.57 2d5g s LEU 817 N 0.30 4.62 0.83 2.97 1.43 0.07 -4.93 118.68 123.96 2d5g s LEU 817 Ca 0.28 1.94 -0.12 0.00 -1.03 0.00 0.00 54.13 55.20 2d5g s LEU 817 Cb -0.16 -3.61 0.09 0.00 0.03 0.00 0.00 46.19 42.55 2d5g s LEU 817 CO 0.13 0.10 1.16 -2.16 0.23 0.00 0.00 176.35 175.82 2d5g s PRO 818 N -1.00 1.59 0.10 1.29 0.04 -1.26 -4.76 135.00 131.00 2d5g s PRO 818 Ca 0.42 1.58 0.09 0.00 0.04 0.00 0.00 61.00 63.13 2d5g s PRO 818 Cb -0.26 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2d5g s PRO 818 CO 0.32 -2.21 -0.21 0.08 0.04 0.00 0.00 177.00 175.02 2d5g s VAL 819 N -2.44 2.65 -0.05 -0.36 1.01 -1.26 -4.75 120.40 115.21 2d5g s VAL 819 Ca 0.69 -1.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 2d5g s VAL 819 Cb -0.24 -2.18 0.03 0.00 0.00 0.00 0.00 36.38 33.99 2d5g s VAL 819 CO 0.53 0.16 0.01 0.12 0.00 0.00 0.00 175.10 175.93 2d5g s PHE 820 N -1.06 0.44 -1.61 5.22 5.36 0.11 -4.63 117.98 121.81 2d5g s PHE 820 Ca 0.16 -0.02 -0.14 0.00 -0.96 0.00 0.00 56.93 55.97 2d5g s PHE 820 Cb -0.10 -0.63 0.11 0.00 -0.34 0.00 0.00 43.02 42.06 2d5g s PHE 820 CO 0.08 -0.25 0.75 0.39 -1.46 0.00 0.00 175.22 174.73 2d5g n GLU 821 N 4.93 -3.66 -0.30 10.12 1.02 -1.26 -1.00 120.64 130.49 2d5g n GLU 821 Ca -0.11 0.42 0.00 0.00 -0.02 0.00 0.00 57.16 57.46 2d5g n GLU 821 Cb 0.50 -5.06 0.00 0.00 -0.02 0.00 0.00 31.44 26.86 2d5g n GLU 821 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2d5g n GLU 822 N -4.45 0.00 -3.81 3.49 1.02 -1.26 -4.96 120.64 110.68 2d5g n GLU 822 Ca -0.01 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.90 2d5g n GLU 822 Cb 0.54 -2.34 -0.04 0.00 -0.02 0.00 0.00 31.44 29.58 2d5g n GLU 822 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2d5g s LYS 823 N -0.07 2.38 -0.21 3.49 1.02 -0.17 -4.55 119.74 121.61 2d5g s LYS 823 Ca 0.00 -1.72 -0.03 0.00 0.02 0.00 0.00 55.97 54.23 2d5g s LYS 823 Cb 0.00 -2.20 -0.00 0.00 -0.52 0.00 0.00 37.83 35.11 2d5g s LYS 823 CO 0.00 -0.24 -0.07 0.42 -0.92 0.00 0.00 175.35 174.54 2d5g s ILE 824 N -2.57 3.17 -0.18 2.17 1.01 0.13 -0.72 121.20 124.21 2d5g s ILE 824 Ca 0.43 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.52 2d5g s ILE 824 Cb -0.01 -2.43 0.03 0.00 0.01 0.00 0.00 42.46 40.06 2d5g s ILE 824 CO 0.25 0.44 -0.16 -0.63 0.00 0.00 0.00 174.94 174.83 2d5g s ILE 825 N 1.45 1.88 0.12 2.92 1.01 -1.26 -0.34 121.20 126.98 2d5g s ILE 825 Ca 0.06 -0.92 0.09 0.00 0.00 0.00 0.00 60.65 59.87 2d5g s ILE 825 Cb -0.14 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 2d5g s ILE 825 CO -0.05 0.42 -0.21 -0.83 0.00 0.00 0.00 174.94 174.27 2d5g s GLY 826 N 1.34 1.33 -0.19 6.18 0.00 0.50 -0.21 107.32 116.28 2d5g s GLY 826 Ca 0.03 -1.34 -0.03 0.00 0.00 0.00 0.00 44.72 43.37 2d5g s GLY 826 CO -0.11 -1.36 -0.05 0.54 0.00 0.00 0.00 173.10 172.13 2d5g s LYS 827 N -2.16 3.49 -0.16 2.90 1.02 0.96 0.67 119.74 126.46 2d5g s LYS 827 Ca 0.10 -0.59 -0.06 0.00 0.02 0.00 0.00 55.97 55.43 2d5g s LYS 827 Cb -0.09 -2.93 -0.04 0.00 -0.52 0.00 0.00 37.83 34.25 2d5g s LYS 827 CO 0.05 0.02 0.05 0.08 -0.92 0.00 0.00 175.35 174.64 2d5g s VAL 828 N 0.93 4.74 -0.03 3.17 1.01 0.69 -1.88 120.40 129.02 2d5g s VAL 828 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2d5g s VAL 828 Cb -0.15 -3.11 0.03 0.00 0.00 0.00 0.00 36.38 33.15 2d5g s VAL 828 CO 0.01 0.49 0.00 -1.61 0.00 0.00 0.00 175.10 174.00 2d5g s GLU 829 N 0.10 0.27 0.37 2.72 0.41 -0.77 -0.52 118.70 121.27 2d5g s GLU 829 Ca 0.05 0.09 -0.26 0.00 -0.41 0.00 0.00 54.97 54.44 2d5g s GLU 829 Cb -0.12 -0.47 -0.09 0.00 -1.78 0.00 0.00 34.13 31.67 2d5g s GLU 829 CO 0.01 -0.14 1.08 0.21 -0.49 0.00 0.00 175.26 175.92 2d5g s LYS 830 N 1.06 4.28 0.04 1.61 2.20 -1.26 -0.03 119.74 127.64 2d5g s LYS 830 Ca -0.09 1.63 -0.26 0.00 -0.36 0.00 0.00 55.97 56.89 2d5g s LYS 830 Cb -0.13 -2.74 -0.05 0.00 -1.51 0.00 0.00 37.83 33.39 2d5g s LYS 830 CO -0.02 -0.06 0.80 0.08 -0.36 0.00 0.00 175.35 175.79 2d5g s VAL 831 N -1.49 4.75 -2.61 4.02 1.01 -0.86 -4.86 120.40 120.36 2d5g s VAL 831 Ca 0.54 1.70 0.27 0.00 0.00 0.00 0.00 61.98 64.50 2d5g s VAL 831 Cb -0.26 -4.15 0.47 0.00 0.00 0.00 0.00 36.38 32.44 2d5g s VAL 831 CO 0.33 0.33 1.64 0.47 0.00 0.00 0.00 175.10 177.86