#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 -0.15 0.06 0.00 2.15 -1.26 -5.10 116.67 112.37 2d5g s ASP 751 Ca 0.00 0.30 -0.13 0.00 0.43 0.00 0.00 52.55 53.15 2d5g s ASP 751 Cb 0.00 0.29 0.02 0.00 -0.30 0.00 0.00 42.92 42.92 2d5g s ASP 751 CO 0.00 -0.06 0.28 -0.94 -0.17 0.00 0.00 175.17 174.28 2d5g s SER 752 N 0.23 -0.08 0.13 -0.34 1.04 -1.26 -0.40 113.70 113.01 2d5g s SER 752 Ca -0.01 -0.29 0.11 0.00 0.48 0.00 0.00 55.95 56.23 2d5g s SER 752 Cb -0.02 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 2d5g s SER 752 CO -0.01 -0.65 -0.27 -0.63 0.98 0.00 0.00 173.24 172.67 2d5g s ILE 753 N -2.88 2.28 -0.27 -1.02 1.01 -0.61 -4.79 121.20 114.93 2d5g s ILE 753 Ca -0.03 -1.74 -0.17 0.00 0.00 0.00 0.00 60.65 58.71 2d5g s ILE 753 Cb 0.00 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 2d5g s ILE 753 CO -0.05 0.10 0.50 -0.69 0.00 0.00 0.00 174.94 174.79 2d5g s VAL 754 N -1.06 5.08 -0.16 2.92 1.01 -1.26 -1.76 120.40 125.17 2d5g s VAL 754 Ca 0.14 0.79 -0.06 0.00 0.00 0.00 0.00 61.98 62.86 2d5g s VAL 754 Cb -0.10 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 2d5g s VAL 754 CO 0.06 0.07 0.02 -0.69 0.00 0.00 0.00 175.10 174.56 2d5g s VAL 755 N 2.29 4.45 -0.01 2.92 1.01 -0.46 -0.25 120.40 130.35 2d5g s VAL 755 Ca 0.20 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 2d5g s VAL 755 Cb -0.16 -2.98 0.01 0.00 0.00 0.00 0.00 36.38 33.26 2d5g s VAL 755 CO 0.10 0.49 0.02 0.00 0.00 0.00 0.00 175.10 175.71 2d5g s ALA 756 N 0.25 -0.02 0.03 5.51 0.00 0.83 -1.26 121.76 127.10 2d5g s ALA 756 Ca 0.01 0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.14 2d5g s ALA 756 Cb -0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 2d5g s ALA 756 CO 0.01 -0.04 -0.09 1.52 0.00 0.00 0.00 175.76 177.16 2d5g s TYR 757 N 0.34 0.79 -0.29 0.00 1.13 -0.06 0.06 117.35 119.32 2d5g s TYR 757 Ca -0.03 -0.35 -0.18 0.00 -1.41 0.00 0.00 57.07 55.10 2d5g s TYR 757 Cb -0.04 -0.47 -0.02 0.00 -1.10 0.00 0.00 41.96 40.32 2d5g s TYR 757 CO -0.01 -0.03 0.50 0.71 -2.51 0.00 0.00 175.55 174.21 2d5g s TYR 758 N -0.92 3.23 -0.19 -3.49 1.51 0.41 -1.61 117.35 116.30 2d5g s TYR 758 Ca -0.04 0.48 -0.10 0.00 -1.01 0.00 0.00 57.07 56.40 2d5g s TYR 758 Cb -0.07 -2.78 -0.05 0.00 -0.11 0.00 0.00 41.96 38.95 2d5g s TYR 758 CO 0.01 -0.36 0.14 0.12 -1.11 0.00 0.00 175.55 174.34 2d5g s PHE 759 N 2.32 3.44 -0.10 2.71 2.19 -1.26 -0.45 117.98 126.83 2d5g s PHE 759 Ca 0.20 0.37 -0.01 0.00 0.33 0.00 0.00 56.93 57.82 2d5g s PHE 759 Cb -0.16 -2.13 0.01 0.00 -1.31 0.00 0.00 43.02 39.43 2d5g s PHE 759 CO 0.11 0.35 0.02 0.00 1.83 0.00 0.00 175.22 177.53 2d5g n GLY 761 N -0.81 2.91 0.00 0.00 0.00 -1.26 -4.99 105.19 101.04 2d5g n GLY 761 Ca -0.01 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.22 2d5g n GLY 761 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2d5g n GLU 762 N 0.00 0.00 0.05 1.61 1.02 -1.05 -4.86 120.64 117.41 2d5g n GLU 762 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 2d5g n GLU 762 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 2d5g n GLU 762 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2d5g n PRO 763 N 0.00 0.46 -3.06 3.49 -0.04 -1.26 -4.35 135.00 130.25 2d5g n PRO 763 Ca 0.00 0.01 -0.40 0.00 -0.04 0.00 0.00 63.50 63.07 2d5g n PRO 763 Cb 0.00 -1.67 -0.05 0.00 -0.04 0.00 0.00 33.50 31.74 2d5g n PRO 763 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2d5g s ILE 764 N -3.31 4.98 0.80 0.52 1.01 -1.26 -5.04 121.20 118.90 2d5g s ILE 764 Ca 0.00 1.29 -0.11 0.00 0.00 0.00 0.00 60.65 61.83 2d5g s ILE 764 Cb 0.13 -3.99 0.09 0.00 0.01 0.00 0.00 42.46 38.70 2d5g s ILE 764 CO 0.81 0.08 1.16 -2.16 0.00 0.00 0.00 174.94 174.83 2d5g s PRO 765 N 2.04 1.84 -0.13 2.79 0.04 -1.26 -4.81 135.00 135.51 2d5g s PRO 765 Ca 0.31 -0.06 -0.00 0.00 0.04 0.00 0.00 61.00 61.28 2d5g s PRO 765 Cb -0.16 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 2d5g s PRO 765 CO 0.10 -1.62 -0.12 0.71 0.04 0.00 0.00 177.00 176.12 2d5g s TYR 766 N -3.53 2.84 0.12 0.56 1.51 -0.63 -4.95 117.35 113.26 2d5g s TYR 766 Ca 0.63 -0.53 0.08 0.00 -1.01 0.00 0.00 57.07 56.24 2d5g s TYR 766 Cb -0.10 -1.84 -0.04 0.00 -0.11 0.00 0.00 41.96 39.87 2d5g s TYR 766 CO 0.48 -0.14 -0.20 -2.00 -1.11 0.00 0.00 175.55 172.59 2d5g s GLU 767 N 0.23 1.16 -0.18 -0.62 2.12 -1.26 -0.88 118.70 119.26 2d5g s GLU 767 Ca -0.08 -1.24 -0.30 0.00 0.36 0.00 0.00 54.97 53.72 2d5g s GLU 767 Cb -0.15 -1.33 0.14 0.00 0.26 0.00 0.00 34.13 33.05 2d5g s GLU 767 CO 0.05 0.29 1.09 -0.08 -0.54 0.00 0.00 175.26 176.07 2d5g s THR 768 N -1.49 0.00 0.15 -1.70 -1.32 -0.39 -4.99 115.64 105.90 2d5g s THR 768 Ca 0.09 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.32 2d5g s THR 768 Cb -0.08 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.83 2d5g s THR 768 CO 0.05 0.00 0.77 -0.22 -2.21 0.00 0.00 174.62 173.01 2d5g s LEU 769 N -1.22 4.57 0.00 9.08 2.96 -1.26 -1.36 118.68 131.45 2d5g s LEU 769 Ca 0.02 1.61 0.03 0.00 -0.22 0.00 0.00 54.13 55.57 2d5g s LEU 769 Cb -0.01 -3.28 -0.01 0.00 0.50 0.00 0.00 46.19 43.39 2d5g s LEU 769 CO -0.02 0.18 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.42 2d5g s VAL 770 N -0.98 0.70 -0.40 1.68 1.01 -0.72 -4.94 120.40 116.76 2d5g s VAL 770 Ca 0.36 -0.49 -0.23 0.00 0.00 0.00 0.00 61.98 61.62 2d5g s VAL 770 Cb -0.23 -0.61 0.02 0.00 0.00 0.00 0.00 36.38 35.56 2d5g s VAL 770 CO 0.26 0.12 0.78 -0.13 0.00 0.00 0.00 175.10 176.13 2d5g s ARG 771 N -0.42 3.61 0.00 2.72 3.00 -1.26 -1.57 118.95 125.03 2d5g s ARG 771 Ca 0.02 0.14 0.00 0.00 0.00 0.00 0.00 55.73 55.89 2d5g s ARG 771 Cb -0.04 -3.86 0.00 0.00 0.00 0.00 0.00 34.95 31.05 2d5g s ARG 771 CO -0.00 -0.96 0.00 0.41 0.00 0.00 0.00 175.30 174.75 2d5g n GLY 772 N 4.72 0.50 4.40 -3.53 0.00 0.46 -4.84 105.19 106.90 2d5g n GLY 772 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 -4.01 1.61 0.63 -1.26 -4.78 116.66 108.85 2d5g n ARG 773 Ca 0.00 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.83 2d5g n ARG 773 Cb 0.00 -0.89 -0.11 0.00 0.45 0.00 0.00 32.46 31.91 2d5g n ARG 773 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2d5g s ALA 774 N -0.05 0.27 -0.01 5.13 0.00 -1.26 -5.00 121.76 120.84 2d5g s ALA 774 Ca 0.00 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 51.35 2d5g s ALA 774 Cb 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 2d5g s ALA 774 CO 0.00 -0.11 -0.12 0.08 0.00 0.00 0.00 175.76 175.61 2d5g s VAL 775 N -1.44 0.94 0.20 0.00 1.01 -1.26 -4.94 120.40 114.91 2d5g s VAL 775 Ca -0.14 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.37 2d5g s VAL 775 Cb -0.10 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 2d5g s VAL 775 CO -0.01 0.25 0.23 0.42 0.00 0.00 0.00 175.10 176.00 2d5g s THR 776 N -0.30 4.81 0.41 3.92 -4.23 -1.25 0.09 115.64 119.09 2d5g s THR 776 Ca 0.04 -1.08 0.18 0.00 -1.18 0.00 0.00 61.69 59.65 2d5g s THR 776 Cb -0.05 -3.54 0.38 0.00 1.34 0.00 0.00 72.50 70.64 2d5g s THR 776 CO -0.00 -0.23 1.82 0.25 -0.54 0.00 0.00 174.62 175.92 2d5g h LEU 777 N 1.81 0.43 -0.30 4.79 5.85 -1.54 0.19 115.31 126.54 2d5g h LEU 777 Ca -0.49 0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.16 2d5g h LEU 777 Cb 1.22 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 2d5g h LEU 777 CO 0.63 0.14 -0.29 1.23 -0.34 0.00 0.00 178.44 179.81 2d5g h GLY 778 N 0.42 0.79 0.85 3.75 0.00 -1.44 0.54 103.07 107.98 2d5g h GLY 778 Ca 0.52 -0.80 0.03 0.00 0.00 0.00 0.00 47.33 47.08 2d5g h GLY 778 CO -0.22 0.73 0.38 1.46 0.00 0.00 0.00 176.54 178.88 2d5g h GLN 779 N 0.47 0.72 0.11 4.80 4.20 -1.35 -2.37 115.11 121.70 2d5g h GLN 779 Ca 0.05 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2d5g h GLN 779 Cb 0.86 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.48 2d5g h GLN 779 CO 0.07 0.48 -0.05 0.35 -0.67 0.00 0.00 178.83 179.01 2d5g h PHE 780 N 0.74 -0.14 -0.84 2.96 3.04 -0.28 -2.56 116.94 119.87 2d5g h PHE 780 Ca 0.26 -0.00 0.22 0.00 3.98 0.00 0.00 57.97 62.42 2d5g h PHE 780 Cb 0.04 0.05 -0.05 0.00 2.56 0.00 0.00 35.95 38.55 2d5g h PHE 780 CO -0.06 0.09 0.58 0.87 -2.02 0.00 0.00 178.31 177.77 2d5g h LYS 781 N -0.35 0.17 0.00 1.11 1.57 0.27 0.36 116.57 119.71 2d5g h LYS 781 Ca -0.02 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2d5g h LYS 781 Cb 0.29 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2d5g h LYS 781 CO 0.03 0.11 0.00 0.39 -0.57 0.00 0.00 179.45 179.41 2d5g n GLU 782 N -4.39 0.13 0.06 3.15 1.02 -0.91 -1.91 120.64 117.79 2d5g n GLU 782 Ca 0.17 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 2d5g n GLU 782 Cb 0.79 -1.83 -0.06 0.00 -0.02 0.00 0.00 31.44 30.32 2d5g n GLU 782 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2d5g h LEU 783 N 0.00 0.00 -9.95 -4.62 3.38 -0.35 -3.46 115.31 100.31 2d5g h LEU 783 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2d5g h LEU 783 Cb 0.16 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.00 2d5g h LEU 783 CO 0.00 0.59 0.62 -0.76 0.09 0.00 0.00 178.44 178.98 2d5g s LEU 784 N -6.02 4.21 -0.03 1.67 2.01 -0.80 -4.93 118.68 114.80 2d5g s LEU 784 Ca -0.01 2.67 0.16 0.00 0.01 0.00 0.00 54.13 56.96 2d5g s LEU 784 Cb 0.08 -3.90 -0.20 0.00 0.01 0.00 0.00 46.19 42.18 2d5g s LEU 784 CO 0.79 -0.86 0.60 0.35 1.01 0.00 0.00 176.35 178.25 2d5g n THR 785 N 0.13 1.30 -4.25 5.49 -2.24 -1.26 -4.94 114.28 108.51 2d5g n THR 785 Ca 0.04 -0.75 -0.31 0.00 -2.27 0.00 0.00 64.05 60.76 2d5g n THR 785 Cb 0.43 -0.74 -0.09 0.00 -2.10 0.00 0.00 70.33 67.84 2d5g n THR 785 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2d5g s LYS 786 N -2.77 2.59 0.48 -0.78 3.01 -1.26 -5.12 119.74 115.90 2d5g s LYS 786 Ca -0.05 -0.76 -0.02 0.00 -1.01 0.00 0.00 55.97 54.13 2d5g s LYS 786 Cb 0.08 -2.56 -0.01 0.00 -1.01 0.00 0.00 37.83 34.34 2d5g s LYS 786 CO 0.83 0.58 0.74 -1.59 0.51 0.00 0.00 175.35 176.41 2d5g s LYS 787 N -1.90 3.17 0.00 1.68 -2.85 -1.26 -5.03 119.74 113.55 2d5g s LYS 787 Ca 0.22 -0.20 0.00 0.00 -1.00 0.00 0.00 55.97 54.98 2d5g s LYS 787 Cb -0.11 -2.46 0.00 0.00 -2.06 0.00 0.00 37.83 33.20 2d5g s LYS 787 CO 0.13 -0.33 0.00 0.41 0.10 0.00 0.00 175.35 175.67 2d5g n GLY 788 N -2.22 0.85 3.51 0.59 0.00 -1.26 -5.05 105.19 101.61 2d5g n GLY 788 Ca 0.01 -1.99 -0.37 0.00 0.00 0.00 0.00 46.02 43.68 2d5g n GLY 788 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d5g s SER 789 N -4.00 5.45 0.23 1.61 0.15 -1.26 -5.08 113.70 110.80 2d5g s SER 789 Ca 0.00 -0.11 0.04 0.00 0.70 0.00 0.00 55.95 56.58 2d5g s SER 789 Cb 0.00 -1.98 -0.05 0.00 -1.71 0.00 0.00 66.02 62.27 2d5g s SER 789 CO 0.00 -0.01 -0.03 -0.31 1.20 0.00 0.00 173.24 174.09 2d5g s TYR 790 N 1.49 1.61 0.08 3.44 2.02 -1.26 -1.73 117.35 123.01 2d5g s TYR 790 Ca 0.06 -0.84 0.05 0.00 -0.37 0.00 0.00 57.07 55.97 2d5g s TYR 790 Cb -0.15 -0.92 -0.04 0.00 -0.40 0.00 0.00 41.96 40.46 2d5g s TYR 790 CO 0.05 0.06 -0.05 1.03 -1.57 0.00 0.00 175.55 175.07 2d5g s ARG 791 N -3.81 2.39 -0.20 -0.62 0.52 0.92 -4.86 118.95 113.29 2d5g s ARG 791 Ca 0.27 -0.89 0.01 0.00 -0.52 0.00 0.00 55.73 54.60 2d5g s ARG 791 Cb 0.05 -2.45 0.03 0.00 0.52 0.00 0.00 34.95 33.10 2d5g s ARG 791 CO 0.08 0.54 -0.15 0.71 0.02 0.00 0.00 175.30 176.50 2d5g s TYR 792 N -1.23 2.78 0.05 -0.53 1.51 -1.26 -1.65 117.35 117.02 2d5g s TYR 792 Ca 0.23 -1.77 0.07 0.00 -1.01 0.00 0.00 57.07 54.58 2d5g s TYR 792 Cb -0.11 -1.84 -0.03 0.00 -0.11 0.00 0.00 41.96 39.87 2d5g s TYR 792 CO 0.15 -0.80 -0.16 0.71 -1.11 0.00 0.00 175.55 174.34 2d5g s TYR 793 N 1.28 2.62 -0.02 2.71 2.02 -0.50 -0.41 117.35 125.05 2d5g s TYR 793 Ca 0.00 -0.22 0.02 0.00 -0.37 0.00 0.00 57.07 56.51 2d5g s TYR 793 Cb -0.15 -1.47 0.00 0.00 -0.40 0.00 0.00 41.96 39.94 2d5g s TYR 793 CO -0.10 0.30 -0.07 -0.06 -1.57 0.00 0.00 175.55 174.04 2d5g s PHE 794 N -0.98 0.80 0.46 2.71 0.08 0.11 -0.67 117.98 120.49 2d5g s PHE 794 Ca 0.16 -0.19 -0.25 0.00 0.12 0.00 0.00 56.93 56.77 2d5g s PHE 794 Cb -0.11 -0.59 -0.08 0.00 -0.57 0.00 0.00 43.02 41.68 2d5g s PHE 794 CO 0.07 -0.09 1.39 0.21 -0.10 0.00 0.00 175.22 176.69 2d5g s LYS 795 N 0.25 3.66 -0.28 0.44 2.20 0.74 -0.66 119.74 126.09 2d5g s LYS 795 Ca -0.03 2.33 -0.23 0.00 -0.36 0.00 0.00 55.97 57.68 2d5g s LYS 795 Cb -0.08 -2.61 0.10 0.00 -1.51 0.00 0.00 37.83 33.73 2d5g s LYS 795 CO 0.00 -0.81 0.88 0.21 -0.36 0.00 0.00 175.35 175.28 2d5g s LYS 796 N -2.48 0.62 0.25 4.03 2.20 -0.65 -4.46 119.74 119.24 2d5g s LYS 796 Ca 0.62 0.82 -0.23 0.00 -0.36 0.00 0.00 55.97 56.82 2d5g s LYS 796 Cb -0.42 0.26 -0.09 0.00 -1.51 0.00 0.00 37.83 36.07 2d5g s LYS 796 CO 0.53 -0.09 0.81 0.14 -0.36 0.00 0.00 175.35 176.38 2d5g s VAL 797 N 0.61 4.41 -0.30 4.02 -7.23 -1.26 -0.72 120.40 119.93 2d5g s VAL 797 Ca -0.01 1.55 -0.09 0.00 -1.81 0.00 0.00 61.98 61.62 2d5g s VAL 797 Cb -0.05 -3.97 0.14 0.00 0.56 0.00 0.00 36.38 33.07 2d5g s VAL 797 CO -0.07 0.25 0.65 -0.55 -0.31 0.00 0.00 175.10 175.07 2d5g s SER 798 N -1.54 -1.17 0.38 4.85 0.15 -0.02 -4.89 113.70 111.46 2d5g s SER 798 Ca 0.44 1.47 0.28 0.00 0.70 0.00 0.00 55.95 58.83 2d5g s SER 798 Cb -0.19 2.28 1.02 0.00 -1.71 0.00 0.00 66.02 67.43 2d5g s SER 798 CO 0.23 -0.22 1.81 -2.24 1.20 0.00 0.00 173.24 174.01 2d5g h ASP 799 N 7.99 0.00 -0.44 5.45 3.04 -1.97 -3.23 116.42 127.26 2d5g h ASP 799 Ca -0.19 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.60 2d5g h ASP 799 Cb 1.11 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.40 2d5g h ASP 799 CO 0.12 0.00 0.00 -1.84 -2.04 0.00 0.00 179.24 175.48 2d5g n GLU 800 N -2.65 3.64 -4.34 4.15 0.28 -1.26 -4.84 120.64 115.61 2d5g n GLU 800 Ca 0.02 -2.27 -0.19 0.00 -0.16 0.00 0.00 57.16 54.56 2d5g n GLU 800 Cb 0.32 -1.97 -0.15 0.00 1.43 0.00 0.00 31.44 31.07 2d5g n GLU 800 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2d5g s PHE 801 N -2.14 0.79 -0.50 -1.84 0.08 -1.22 -5.07 117.98 108.09 2d5g s PHE 801 Ca 0.40 -0.16 0.18 0.00 0.12 0.00 0.00 56.93 57.47 2d5g s PHE 801 Cb 0.29 -0.53 0.88 0.00 -0.57 0.00 0.00 43.02 43.08 2d5g s PHE 801 CO 0.14 -0.04 1.56 -0.25 -0.10 0.00 0.00 175.22 176.53 2d5g n ASP 802 N 3.02 0.46 -1.63 1.36 8.00 -1.26 -1.28 116.55 125.21 2d5g n ASP 802 Ca -0.15 0.66 0.01 0.00 0.71 0.00 0.00 54.79 56.02 2d5g n ASP 802 Cb 0.56 -0.74 0.07 0.00 -0.02 0.00 0.00 41.12 40.99 2d5g n ASP 802 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2d5g n GLY 804 N -0.23 2.13 3.89 0.00 0.00 -0.41 -4.99 105.19 105.59 2d5g n GLY 804 Ca 0.13 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 4.89 0.04 1.61 1.01 -1.26 -0.84 120.40 125.85 2d5g s VAL 805 Ca 0.00 0.32 -0.01 0.00 0.00 0.00 0.00 61.98 62.29 2d5g s VAL 805 Cb 0.00 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2d5g s VAL 805 CO 0.00 -0.58 -0.03 0.68 0.00 0.00 0.00 175.10 175.17 2d5g s VAL 806 N -2.42 0.21 -0.33 2.92 -7.23 0.11 -4.85 120.40 108.81 2d5g s VAL 806 Ca 0.48 -1.55 -0.22 0.00 -1.81 0.00 0.00 61.98 58.88 2d5g s VAL 806 Cb -0.10 -1.15 0.00 0.00 0.56 0.00 0.00 36.38 35.69 2d5g s VAL 806 CO 0.35 -0.84 0.72 -0.36 -0.31 0.00 0.00 175.10 174.66 2d5g s PHE 807 N -3.16 3.18 -0.02 2.82 0.40 -1.26 -1.63 117.98 118.30 2d5g s PHE 807 Ca 0.00 0.62 -0.21 0.00 -0.60 0.00 0.00 56.93 56.75 2d5g s PHE 807 Cb 0.02 -3.19 -0.05 0.00 0.51 0.00 0.00 43.02 40.32 2d5g s PHE 807 CO -0.07 -0.59 0.62 -2.00 0.70 0.00 0.00 175.22 173.88 2d5g s GLU 808 N 2.86 4.36 0.22 0.44 2.12 0.17 -4.70 118.70 124.16 2d5g s GLU 808 Ca 0.29 0.77 -0.30 0.00 0.36 0.00 0.00 54.97 56.09 2d5g s GLU 808 Cb -0.14 -3.37 -0.09 0.00 0.26 0.00 0.00 34.13 30.79 2d5g s GLU 808 CO 0.14 0.28 0.93 -2.00 -0.54 0.00 0.00 175.26 174.06 2d5g s GLU 809 N 0.09 4.81 -0.05 4.30 2.12 -1.26 0.08 118.70 128.79 2d5g s GLU 809 Ca 0.33 1.45 0.03 0.00 0.36 0.00 0.00 54.97 57.14 2d5g s GLU 809 Cb -0.18 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 30.92 2d5g s GLU 809 CO 0.17 0.49 -0.15 0.08 -0.54 0.00 0.00 175.26 175.31 2d5g s VAL 810 N -1.04 1.31 -0.04 3.70 1.01 0.46 -4.96 120.40 120.83 2d5g s VAL 810 Ca 0.41 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.80 2d5g s VAL 810 Cb -0.25 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 2d5g s VAL 810 CO 0.31 0.39 -0.00 0.54 0.00 0.00 0.00 175.10 176.34 2d5g n ARG 811 N 3.45 2.45 -3.47 2.72 3.00 -1.26 -4.29 116.66 119.26 2d5g n ARG 811 Ca -0.20 0.01 -0.38 0.00 -0.01 0.00 0.00 57.85 57.27 2d5g n ARG 811 Cb 0.53 -1.10 -0.06 0.00 0.00 0.00 0.00 32.46 31.83 2d5g n ARG 811 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2d5g s GLU 812 N -2.09 4.08 0.48 5.56 0.41 -1.26 -4.96 118.70 120.92 2d5g s GLU 812 Ca -0.03 0.35 0.25 0.00 -0.41 0.00 0.00 54.97 55.13 2d5g s GLU 812 Cb 0.01 -3.31 1.16 0.00 -1.78 0.00 0.00 34.13 30.21 2d5g s GLU 812 CO 0.14 0.47 1.94 -0.44 -0.49 0.00 0.00 175.26 176.88 2d5g h ASP 813 N 5.60 0.00 0.23 -0.19 3.45 -1.96 -2.55 116.42 121.00 2d5g h ASP 813 Ca -0.47 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.99 2d5g h ASP 813 Cb 1.20 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 2d5g h ASP 813 CO 0.68 0.18 -0.05 -0.62 -1.57 0.00 0.00 179.24 177.86 2d5g n GLU 814 N -3.51 0.89 -2.17 3.56 -0.58 -1.26 -1.27 120.64 116.30 2d5g n GLU 814 Ca -0.01 -0.25 -0.33 0.00 -0.42 0.00 0.00 57.16 56.15 2d5g n GLU 814 Cb 0.34 -1.49 -0.00 0.00 -0.57 0.00 0.00 31.44 29.72 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 -2.28 2.78 -0.13 0.62 0.00 -0.96 -4.92 121.76 116.87 2d5g s ALA 815 Ca 0.35 0.43 -0.14 0.00 0.00 0.00 0.00 51.96 52.61 2d5g s ALA 815 Cb 0.21 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 20.05 2d5g s ALA 815 CO 0.42 -0.67 0.32 0.42 0.00 0.00 0.00 175.76 176.25 2d5g s ILE 816 N -2.35 5.27 0.21 0.00 -1.09 -1.26 -2.61 121.20 119.37 2d5g s ILE 816 Ca 0.64 0.61 -0.30 0.00 -2.23 0.00 0.00 60.65 59.37 2d5g s ILE 816 Cb -0.16 -3.65 -0.08 0.00 -1.58 0.00 0.00 42.46 36.99 2d5g s ILE 816 CO 0.33 0.42 0.99 -0.76 -1.23 0.00 0.00 174.94 174.68 2d5g s LEU 817 N 0.21 4.59 0.64 2.97 1.43 0.11 -4.92 118.68 123.71 2d5g s LEU 817 Ca 0.18 1.98 -0.18 0.00 -1.03 0.00 0.00 54.13 55.09 2d5g s LEU 817 Cb -0.14 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.46 2d5g s LEU 817 CO 0.06 0.03 1.26 -2.16 0.23 0.00 0.00 176.35 175.76 2d5g s PRO 818 N -0.89 2.65 -0.01 1.29 0.04 -1.26 -4.75 135.00 132.07 2d5g s PRO 818 Ca 0.44 1.95 0.04 0.00 0.04 0.00 0.00 61.00 63.47 2d5g s PRO 818 Cb -0.27 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 2d5g s PRO 818 CO 0.33 -1.49 -0.12 0.08 0.04 0.00 0.00 177.00 175.84 2d5g s VAL 819 N -1.52 3.21 -0.08 -0.36 1.01 -1.26 -4.70 120.40 116.70 2d5g s VAL 819 Ca 0.80 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 2d5g s VAL 819 Cb -0.34 -2.34 0.03 0.00 0.00 0.00 0.00 36.38 33.73 2d5g s VAL 819 CO 0.38 0.45 0.00 0.12 0.00 0.00 0.00 175.10 176.05 2d5g s PHE 820 N -0.88 0.70 -1.52 5.22 5.36 -0.20 -4.68 117.98 121.97 2d5g s PHE 820 Ca 0.14 -0.20 -0.09 0.00 -0.96 0.00 0.00 56.93 55.82 2d5g s PHE 820 Cb -0.11 -0.82 0.07 0.00 -0.34 0.00 0.00 43.02 41.83 2d5g s PHE 820 CO 0.04 -0.34 0.69 0.39 -1.46 0.00 0.00 175.22 174.54 2d5g n GLU 821 N 5.14 -3.91 -0.40 10.12 1.02 -1.26 -1.40 120.64 129.95 2d5g n GLU 821 Ca -0.07 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 2d5g n GLU 821 Cb 0.50 -4.99 0.00 0.00 -0.02 0.00 0.00 31.44 26.93 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 -3.49 3.49 1.02 -1.26 -4.96 120.64 110.99 2d5g n GLU 822 Ca -0.11 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.83 2d5g n GLU 822 Cb 0.59 -2.82 -0.02 0.00 -0.02 0.00 0.00 31.44 29.17 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 -0.18 2.53 -0.20 3.49 1.02 -0.49 -4.41 119.74 121.49 2d5g s LYS 823 Ca 0.00 -1.56 -0.05 0.00 0.02 0.00 0.00 55.97 54.39 2d5g s LYS 823 Cb 0.00 -2.41 -0.02 0.00 -0.52 0.00 0.00 37.83 34.88 2d5g s LYS 823 CO 0.00 -0.28 -0.01 0.42 -0.92 0.00 0.00 175.35 174.55 2d5g s ILE 824 N -2.50 3.81 -0.17 2.17 1.01 0.66 -1.03 121.20 125.14 2d5g s ILE 824 Ca 0.48 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.78 2d5g s ILE 824 Cb -0.04 -2.72 0.04 0.00 0.01 0.00 0.00 42.46 39.75 2d5g s ILE 824 CO 0.29 0.43 -0.09 -0.63 0.00 0.00 0.00 174.94 174.93 2d5g s ILE 825 N 1.07 1.39 0.10 2.92 1.01 -1.25 -0.12 121.20 126.32 2d5g s ILE 825 Ca 0.02 -0.75 0.10 0.00 0.00 0.00 0.00 60.65 60.02 2d5g s ILE 825 Cb -0.14 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 2d5g s ILE 825 CO 0.01 0.22 -0.25 -0.83 0.00 0.00 0.00 174.94 174.09 2d5g s GLY 826 N 1.52 1.45 -0.20 6.18 0.00 0.11 -0.19 107.32 116.19 2d5g s GLY 826 Ca 0.01 -1.36 -0.06 0.00 0.00 0.00 0.00 44.72 43.31 2d5g s GLY 826 CO -0.08 -1.33 0.03 0.54 0.00 0.00 0.00 173.10 172.25 2d5g s LYS 827 N -1.84 3.72 -0.24 2.90 1.02 0.15 0.15 119.74 125.60 2d5g s LYS 827 Ca 0.12 -0.47 -0.09 0.00 0.02 0.00 0.00 55.97 55.55 2d5g s LYS 827 Cb -0.10 -3.14 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 2d5g s LYS 827 CO 0.05 0.06 0.11 0.08 -0.92 0.00 0.00 175.35 174.72 2d5g s VAL 828 N 0.91 4.79 -0.04 3.17 1.01 0.40 -1.41 120.40 129.23 2d5g s VAL 828 Ca 0.02 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.04 2d5g s VAL 828 Cb -0.14 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 2d5g s VAL 828 CO 0.02 0.35 -0.20 -1.61 0.00 0.00 0.00 175.10 173.66 2d5g s GLU 829 N 1.30 1.96 0.09 2.72 0.41 -0.66 -0.79 118.70 123.73 2d5g s GLU 829 Ca 0.06 -0.72 -0.25 0.00 -0.41 0.00 0.00 54.97 53.64 2d5g s GLU 829 Cb -0.15 -1.73 -0.06 0.00 -1.78 0.00 0.00 34.13 30.41 2d5g s GLU 829 CO 0.05 0.34 0.79 -1.59 -0.49 0.00 0.00 175.26 174.35 2d5g s LYS 830 N -0.16 4.54 -0.41 1.61 -2.85 -1.26 -0.06 119.74 121.15 2d5g s LYS 830 Ca -0.00 1.13 -0.28 0.00 -1.00 0.00 0.00 55.97 55.81 2d5g s LYS 830 Cb -0.11 -3.33 0.00 0.00 -2.06 0.00 0.00 37.83 32.33 2d5g s LYS 830 CO 0.02 0.37 1.53 0.08 0.10 0.00 0.00 175.35 177.44 2d5g s VAL 831 N -0.40 3.76 -2.00 1.79 1.01 -0.71 -4.89 120.40 118.97 2d5g s VAL 831 Ca 0.38 0.76 0.17 0.00 0.00 0.00 0.00 61.98 63.29 2d5g s VAL 831 Cb -0.22 -4.07 0.49 0.00 0.00 0.00 0.00 36.38 32.59 2d5g s VAL 831 CO 0.25 -0.71 1.44 0.47 0.00 0.00 0.00 175.10 176.54