#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wsp n ASP 751 N 0.00 4.90 -3.45 0.00 2.03 -1.26 -4.85 116.55 113.92 1wsp n ASP 751 Ca 0.00 -3.77 -0.11 0.00 0.52 0.00 0.00 54.79 51.43 1wsp n ASP 751 Cb 0.00 -0.45 -0.02 0.00 -0.72 0.00 0.00 41.12 39.93 1wsp n ASP 751 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1wsp s SER 752 N -3.30 -0.51 0.02 1.67 1.04 -1.26 -2.83 113.70 108.52 1wsp s SER 752 Ca 0.51 0.06 0.03 0.00 0.48 0.00 0.00 55.95 57.03 1wsp s SER 752 Cb 0.42 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 67.05 1wsp s SER 752 CO 0.02 -0.83 -0.09 -0.63 0.98 0.00 0.00 173.24 172.68 1wsp s ILE 753 N -3.34 0.72 -0.11 -1.02 1.01 0.38 -4.19 121.20 114.65 1wsp s ILE 753 Ca 0.01 -0.69 -0.28 0.00 0.00 0.00 0.00 60.65 59.69 1wsp s ILE 753 Cb -0.01 -0.67 -0.02 0.00 0.01 0.00 0.00 42.46 41.78 1wsp s ILE 753 CO -0.10 -0.01 0.94 -0.69 0.00 0.00 0.00 174.94 175.08 1wsp s VAL 754 N -0.65 4.83 -0.25 2.92 1.01 -1.26 0.14 120.40 127.14 1wsp s VAL 754 Ca -0.00 1.90 0.02 0.00 0.00 0.00 0.00 61.98 63.89 1wsp s VAL 754 Cb -0.06 -4.25 0.06 0.00 0.00 0.00 0.00 36.38 32.13 1wsp s VAL 754 CO 0.00 0.04 -0.07 -0.69 0.00 0.00 0.00 175.10 174.38 1wsp s VAL 755 N 1.90 1.84 -0.07 2.92 1.01 0.96 -1.06 120.40 127.90 1wsp s VAL 755 Ca 0.45 -1.46 0.03 0.00 0.00 0.00 0.00 61.98 61.01 1wsp s VAL 755 Cb -0.18 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 1wsp s VAL 755 CO 0.17 -0.10 -0.17 0.00 0.00 0.00 0.00 175.10 175.01 1wsp s ALA 756 N 1.25 2.53 0.01 5.51 0.00 -0.42 -0.95 121.76 129.68 1wsp s ALA 756 Ca -0.06 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 50.95 1wsp s ALA 756 Cb -0.19 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 21.95 1wsp s ALA 756 CO -0.06 0.44 -0.10 1.52 0.00 0.00 0.00 175.76 177.56 1wsp s TYR 757 N -0.30 0.85 0.01 0.00 1.13 -0.62 -0.79 117.35 117.63 1wsp s TYR 757 Ca 0.02 -0.22 -0.28 0.00 -1.41 0.00 0.00 57.07 55.18 1wsp s TYR 757 Cb -0.13 -0.53 -0.04 0.00 -1.10 0.00 0.00 41.96 40.16 1wsp s TYR 757 CO 0.03 -0.01 0.90 0.71 -2.51 0.00 0.00 175.55 174.67 1wsp s TYR 758 N -0.45 3.68 -0.14 -3.49 1.51 0.24 -1.21 117.35 117.49 1wsp s TYR 758 Ca 0.02 1.61 0.00 0.00 -1.01 0.00 0.00 57.07 57.69 1wsp s TYR 758 Cb -0.05 -3.02 -0.01 0.00 -0.11 0.00 0.00 41.96 38.77 1wsp s TYR 758 CO 0.00 0.08 -0.14 0.12 -1.11 0.00 0.00 175.55 174.49 1wsp s PHE 759 N 0.68 2.78 -1.17 2.71 2.19 -1.26 -0.93 117.98 122.99 1wsp s PHE 759 Ca 0.47 -0.81 -0.12 0.00 0.33 0.00 0.00 56.93 56.81 1wsp s PHE 759 Cb -0.21 -1.85 0.12 0.00 -1.31 0.00 0.00 43.02 39.77 1wsp s PHE 759 CO 0.26 -0.32 0.30 0.00 1.83 0.00 0.00 175.22 177.29 1wsp n GLY 761 N -1.14 2.63 3.71 0.00 0.00 -1.26 -4.97 105.19 104.16 1wsp n GLY 761 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1wsp n GLY 761 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wsp n GLU 762 N -0.28 2.34 -0.15 1.61 1.02 0.17 -4.92 120.64 120.42 1wsp n GLU 762 Ca 0.00 0.83 -0.11 0.00 -0.02 0.00 0.00 57.16 57.86 1wsp n GLU 762 Cb 0.00 -2.50 -0.01 0.00 -0.02 0.00 0.00 31.44 28.91 1wsp n GLU 762 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1wsp h PRO 763 N 3.64 0.83 -6.25 3.49 0.13 -1.97 -3.37 132.00 128.50 1wsp h PRO 763 Ca -0.47 -0.31 -0.58 0.00 -0.87 0.00 0.00 66.00 63.77 1wsp h PRO 763 Cb 1.26 -0.05 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 1wsp h PRO 763 CO 0.71 0.94 0.73 0.42 -0.23 0.00 0.00 178.00 180.57 1wsp s ILE 764 N -4.83 4.50 0.61 -3.56 1.01 -1.26 -5.04 121.20 112.64 1wsp s ILE 764 Ca -0.12 1.38 -0.15 0.00 0.00 0.00 0.00 60.65 61.75 1wsp s ILE 764 Cb 0.11 -4.40 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 1wsp s ILE 764 CO 0.83 -0.59 1.07 -2.16 0.00 0.00 0.00 174.94 174.09 1wsp s PRO 765 N 3.68 3.16 -0.16 2.79 0.04 -1.26 -4.78 135.00 138.47 1wsp s PRO 765 Ca 0.42 1.25 -0.13 0.00 0.04 0.00 0.00 61.00 62.59 1wsp s PRO 765 Cb -0.11 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 1wsp s PRO 765 CO 0.19 -0.94 0.25 0.71 0.04 0.00 0.00 177.00 177.26 1wsp s TYR 766 N -2.43 3.47 -0.08 0.56 1.51 -0.35 -4.90 117.35 115.13 1wsp s TYR 766 Ca 0.64 0.55 0.03 0.00 -1.01 0.00 0.00 57.07 57.28 1wsp s TYR 766 Cb -0.17 -2.27 -0.02 0.00 -0.11 0.00 0.00 41.96 39.38 1wsp s TYR 766 CO 0.39 0.30 -0.16 0.50 -1.11 0.00 0.00 175.55 175.46 1wsp s ARG 767 N 0.29 2.87 0.10 -0.62 3.52 -1.26 -1.58 118.95 122.26 1wsp s ARG 767 Ca 0.15 -0.74 -0.11 0.00 -0.13 0.00 0.00 55.73 54.90 1wsp s ARG 767 Cb -0.13 -2.43 0.01 0.00 -1.56 0.00 0.00 34.95 30.85 1wsp s ARG 767 CO 0.03 0.40 0.26 -0.08 -0.81 0.00 0.00 175.30 175.10 1wsp s THR 768 N -0.17 0.12 -0.11 4.11 -1.32 -0.13 -4.99 115.64 113.15 1wsp s THR 768 Ca -0.01 -1.01 -0.04 0.00 -1.21 0.00 0.00 61.69 59.42 1wsp s THR 768 Cb -0.13 -1.31 -0.04 0.00 -1.51 0.00 0.00 72.50 69.51 1wsp s THR 768 CO 0.03 -0.54 0.06 -0.76 -2.21 0.00 0.00 174.62 171.20 1wsp s LEU 769 N -2.85 3.89 -0.07 9.08 1.02 -1.26 -0.03 118.68 128.46 1wsp s LEU 769 Ca 0.05 0.25 0.05 0.00 0.02 0.00 0.00 54.13 54.50 1wsp s LEU 769 Cb 0.04 -1.92 -0.00 0.00 0.02 0.00 0.00 46.19 44.33 1wsp s LEU 769 CO -0.11 0.37 -0.23 -0.69 0.02 0.00 0.00 176.35 175.71 1wsp s VAL 770 N -0.83 1.93 -0.35 -1.59 1.01 0.12 -4.93 120.40 115.77 1wsp s VAL 770 Ca 0.13 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 1wsp s VAL 770 Cb -0.12 -1.65 0.02 0.00 0.00 0.00 0.00 36.38 34.63 1wsp s VAL 770 CO 0.03 0.54 1.09 -0.13 0.00 0.00 0.00 175.10 176.62 1wsp s ARG 771 N 0.08 4.01 0.00 2.72 3.00 -1.26 0.15 118.95 127.64 1wsp s ARG 771 Ca -0.09 0.99 0.00 0.00 0.00 0.00 0.00 55.73 56.62 1wsp s ARG 771 Cb -0.15 -3.77 0.00 0.00 0.00 0.00 0.00 34.95 31.03 1wsp s ARG 771 CO 0.05 -0.99 0.00 0.41 0.00 0.00 0.00 175.30 174.78 1wsp n GLY 772 N 4.04 0.17 4.35 -3.53 0.00 -1.13 -4.89 105.19 104.20 1wsp n GLY 772 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1wsp n GLY 772 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wsp n ARG 773 N 0.00 0.00 -3.99 1.61 5.12 -1.26 -4.85 116.66 113.29 1wsp n ARG 773 Ca 0.00 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.76 1wsp n ARG 773 Cb 0.00 -2.51 -0.15 0.00 -1.16 0.00 0.00 32.46 28.64 1wsp n ARG 773 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wsp s ALA 774 N -1.03 0.31 -0.03 7.54 0.00 -1.26 -4.96 121.76 122.32 1wsp s ALA 774 Ca 0.00 0.03 0.06 0.00 0.00 0.00 0.00 51.96 52.05 1wsp s ALA 774 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1wsp s ALA 774 CO 0.00 -0.01 -0.21 0.08 0.00 0.00 0.00 175.76 175.62 1wsp s VAL 775 N 0.54 1.67 0.25 0.00 1.01 -1.26 -5.05 120.40 117.56 1wsp s VAL 775 Ca -0.05 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.07 1wsp s VAL 775 Cb -0.08 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 1wsp s VAL 775 CO -0.01 0.47 0.40 0.42 0.00 0.00 0.00 175.10 176.38 1wsp s THR 776 N -0.30 5.23 0.25 3.92 -4.23 -1.26 -0.63 115.64 118.61 1wsp s THR 776 Ca 0.03 -0.77 -0.03 0.00 -1.18 0.00 0.00 61.69 59.74 1wsp s THR 776 Cb -0.10 -3.84 0.23 0.00 1.34 0.00 0.00 72.50 70.13 1wsp s THR 776 CO 0.01 -0.34 1.77 0.25 -0.54 0.00 0.00 174.62 175.77 1wsp h LEU 777 N 1.26 0.53 -1.34 4.79 5.85 -1.04 -0.92 115.31 124.44 1wsp h LEU 777 Ca -0.51 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.23 1wsp h LEU 777 Cb 1.22 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1wsp h LEU 777 CO 0.63 0.25 -0.29 1.23 -0.34 0.00 0.00 178.44 179.92 1wsp h GLY 778 N 0.64 0.07 0.86 3.75 0.00 -1.53 0.26 103.07 107.12 1wsp h GLY 778 Ca 0.43 -0.05 -0.12 0.00 0.00 0.00 0.00 47.33 47.59 1wsp h GLY 778 CO -0.33 0.05 -0.37 1.46 0.00 0.00 0.00 176.54 177.35 1wsp h GLN 779 N 0.06 0.53 -0.68 4.80 4.20 -1.58 -3.04 115.11 119.39 1wsp h GLN 779 Ca 0.01 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.37 1wsp h GLN 779 Cb 0.54 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 1wsp h GLN 779 CO 0.04 0.97 0.44 0.35 -0.67 0.00 0.00 178.83 179.96 1wsp h PHE 780 N 0.16 0.86 0.00 2.96 3.04 -0.48 -0.87 116.94 122.62 1wsp h PHE 780 Ca -0.00 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.96 1wsp h PHE 780 Cb 0.98 -0.29 -0.00 0.00 2.56 0.00 0.00 35.95 39.19 1wsp h PHE 780 CO 0.10 0.55 -0.05 0.87 -2.02 0.00 0.00 178.31 177.76 1wsp h LYS 781 N 0.93 0.00 0.00 1.11 1.57 -0.41 -2.02 116.57 117.74 1wsp h LYS 781 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1wsp h LYS 781 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1wsp h LYS 781 CO -0.05 0.05 -0.13 0.39 -0.57 0.00 0.00 179.45 179.13 1wsp n GLU 782 N -3.24 0.18 0.18 3.15 1.02 -0.33 -2.89 120.64 118.72 1wsp n GLU 782 Ca -0.01 0.13 0.10 0.00 -0.02 0.00 0.00 57.16 57.36 1wsp n GLU 782 Cb 0.24 -1.69 0.11 0.00 -0.02 0.00 0.00 31.44 30.08 1wsp n GLU 782 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1wsp h LEU 783 N 0.00 0.00 -9.87 -4.62 3.38 -1.38 -3.46 115.31 99.36 1wsp h LEU 783 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 1wsp h LEU 783 Cb 0.66 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.44 1wsp h LEU 783 CO 0.00 0.08 0.46 -0.76 0.09 0.00 0.00 178.44 178.31 1wsp s LEU 784 N -6.06 4.37 -0.05 1.67 1.02 -1.14 -4.97 118.68 113.52 1wsp s LEU 784 Ca 0.05 2.22 0.15 0.00 0.02 0.00 0.00 54.13 56.56 1wsp s LEU 784 Cb 0.06 -3.85 -0.22 0.00 0.02 0.00 0.00 46.19 42.20 1wsp s LEU 784 CO 0.71 -0.33 0.26 0.35 0.02 0.00 0.00 176.35 177.36 1wsp n THR 785 N 0.64 0.26 -3.80 5.49 -2.24 -1.26 -4.97 114.28 108.40 1wsp n THR 785 Ca 0.02 -0.42 -0.35 0.00 -2.27 0.00 0.00 64.05 61.03 1wsp n THR 785 Cb 0.46 -0.06 -0.08 0.00 -2.10 0.00 0.00 70.33 68.55 1wsp n THR 785 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1wsp s LYS 786 N -2.88 4.13 0.71 -0.78 3.01 -1.26 -5.09 119.74 117.58 1wsp s LYS 786 Ca -0.06 -0.25 -0.11 0.00 -1.01 0.00 0.00 55.97 54.55 1wsp s LYS 786 Cb 0.08 -3.37 0.02 0.00 -1.01 0.00 0.00 37.83 33.55 1wsp s LYS 786 CO 0.63 0.30 1.07 -1.59 0.51 0.00 0.00 175.35 176.27 1wsp s LYS 787 N 0.34 2.77 0.00 1.68 -2.85 -1.26 -5.00 119.74 115.42 1wsp s LYS 787 Ca 0.07 0.96 0.00 0.00 -1.00 0.00 0.00 55.97 56.00 1wsp s LYS 787 Cb -0.11 -1.97 0.00 0.00 -2.06 0.00 0.00 37.83 33.69 1wsp s LYS 787 CO -0.01 -1.22 0.00 0.41 0.10 0.00 0.00 175.35 174.62 1wsp n GLY 788 N -1.88 0.82 3.68 0.59 0.00 -1.26 -5.06 105.19 102.09 1wsp n GLY 788 Ca 0.08 -2.05 -0.37 0.00 0.00 0.00 0.00 46.02 43.68 1wsp n GLY 788 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wsp s SER 789 N -2.79 6.35 0.07 1.61 0.15 -1.26 -5.08 113.70 112.75 1wsp s SER 789 Ca 0.00 0.41 0.01 0.00 0.70 0.00 0.00 55.95 57.06 1wsp s SER 789 Cb 0.00 -2.18 -0.04 0.00 -1.71 0.00 0.00 66.02 62.09 1wsp s SER 789 CO 0.00 0.01 -0.05 -0.31 1.20 0.00 0.00 173.24 174.09 1wsp s TYR 790 N 1.01 0.66 0.15 3.44 2.02 -1.26 -1.56 117.35 121.81 1wsp s TYR 790 Ca 0.15 -0.87 0.06 0.00 -0.37 0.00 0.00 57.07 56.04 1wsp s TYR 790 Cb -0.14 -0.42 -0.04 0.00 -0.40 0.00 0.00 41.96 40.96 1wsp s TYR 790 CO 0.06 -0.23 0.01 1.03 -1.57 0.00 0.00 175.55 174.85 1wsp s ARG 791 N -3.31 2.49 -0.09 -0.62 0.52 -0.38 -4.90 118.95 112.66 1wsp s ARG 791 Ca 0.04 -1.00 0.02 0.00 -0.52 0.00 0.00 55.73 54.27 1wsp s ARG 791 Cb 0.03 -2.44 0.01 0.00 0.52 0.00 0.00 34.95 33.07 1wsp s ARG 791 CO -0.06 0.48 -0.15 0.71 0.02 0.00 0.00 175.30 176.31 1wsp s TYR 792 N -1.59 1.84 0.16 -0.53 1.51 -1.26 -2.07 117.35 115.41 1wsp s TYR 792 Ca 0.27 -0.77 0.10 0.00 -1.01 0.00 0.00 57.07 55.66 1wsp s TYR 792 Cb -0.10 -1.31 -0.04 0.00 -0.11 0.00 0.00 41.96 40.40 1wsp s TYR 792 CO 0.19 -0.38 -0.22 0.71 -1.11 0.00 0.00 175.55 174.74 1wsp s TYR 793 N 0.75 2.08 -0.02 2.71 2.02 -0.15 -1.12 117.35 123.62 1wsp s TYR 793 Ca -0.12 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.18 1wsp s TYR 793 Cb -0.16 -1.07 0.03 0.00 -0.40 0.00 0.00 41.96 40.37 1wsp s TYR 793 CO 0.02 0.38 0.02 -0.06 -1.57 0.00 0.00 175.55 174.35 1wsp s PHE 794 N -1.60 0.11 0.22 2.71 0.08 -0.22 0.11 117.98 119.40 1wsp s PHE 794 Ca 0.16 0.10 -0.32 0.00 0.12 0.00 0.00 56.93 56.99 1wsp s PHE 794 Cb -0.08 -0.30 -0.14 0.00 -0.57 0.00 0.00 43.02 41.93 1wsp s PHE 794 CO 0.07 -0.11 1.39 1.63 -0.10 0.00 0.00 175.22 178.11 1wsp n LYS 795 N 4.22 1.93 -3.78 0.44 5.02 -0.55 -1.44 118.16 124.01 1wsp n LYS 795 Ca -0.27 0.69 -0.13 0.00 -2.02 0.00 0.00 58.31 56.58 1wsp n LYS 795 Cb 0.50 -2.34 -0.10 0.00 -0.02 0.00 0.00 35.03 33.08 1wsp n LYS 795 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1wsp s LYS 796 N -0.27 0.51 0.30 1.97 2.20 0.27 -4.19 119.74 120.53 1wsp s LYS 796 Ca 0.70 0.03 -0.29 0.00 -0.36 0.00 0.00 55.97 56.05 1wsp s LYS 796 Cb -0.68 0.23 -0.10 0.00 -1.51 0.00 0.00 37.83 35.77 1wsp s LYS 796 CO 0.49 -0.12 1.29 0.14 -0.36 0.00 0.00 175.35 176.79 1wsp s VAL 797 N -0.73 2.87 -0.23 4.02 -7.23 -1.26 -0.77 120.40 117.07 1wsp s VAL 797 Ca -0.08 0.84 -0.04 0.00 -1.81 0.00 0.00 61.98 60.89 1wsp s VAL 797 Cb -0.04 -3.53 0.08 0.00 0.56 0.00 0.00 36.38 33.44 1wsp s VAL 797 CO 0.02 0.18 0.10 -0.55 -0.31 0.00 0.00 175.10 174.55 1wsp s SER 798 N -0.35 2.98 0.45 4.85 0.15 0.20 -4.85 113.70 117.12 1wsp s SER 798 Ca 0.50 -0.97 0.16 0.00 0.70 0.00 0.00 55.95 56.34 1wsp s SER 798 Cb -0.39 -0.35 1.09 0.00 -1.71 0.00 0.00 66.02 64.66 1wsp s SER 798 CO 0.49 -0.39 1.97 -2.24 1.20 0.00 0.00 173.24 174.27 1wsp h ASP 799 N 8.38 0.32 0.00 5.45 -0.00 -1.96 -1.76 116.42 126.86 1wsp h ASP 799 Ca -0.17 0.01 0.00 0.00 -0.00 0.00 0.00 57.03 56.87 1wsp h ASP 799 Cb 1.08 -0.06 0.00 0.00 -0.00 0.00 0.00 39.33 40.36 1wsp h ASP 799 CO 0.37 0.18 0.00 -1.84 -0.00 0.00 0.00 179.24 177.95 1wsp n GLU 800 N -4.46 0.81 -4.02 4.15 0.28 -1.26 -4.73 120.64 111.41 1wsp n GLU 800 Ca 0.11 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.98 1wsp n GLU 800 Cb 0.43 -1.04 -0.12 0.00 1.43 0.00 0.00 31.44 32.14 1wsp n GLU 800 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1wsp s PHE 801 N -2.00 0.38 0.17 -1.84 0.08 -0.66 -5.07 117.98 109.03 1wsp s PHE 801 Ca 0.03 -0.33 0.00 0.00 0.12 0.00 0.00 56.93 56.76 1wsp s PHE 801 Cb 0.02 -0.24 0.03 0.00 -0.57 0.00 0.00 43.02 42.26 1wsp s PHE 801 CO 0.03 -0.08 1.41 -0.44 -0.10 0.00 0.00 175.22 176.03 1wsp h ASP 802 N 5.17 0.39 -0.96 1.36 3.32 -1.85 -2.65 116.42 121.21 1wsp h ASP 802 Ca -0.31 -0.28 -0.59 0.00 0.02 0.00 0.00 57.03 55.87 1wsp h ASP 802 Cb 1.20 -0.12 -0.29 0.00 0.22 0.00 0.00 39.33 40.35 1wsp h ASP 802 CO 0.45 1.04 0.76 0.00 -1.72 0.00 0.00 179.24 179.76 1wsp n GLY 804 N -0.94 0.69 3.56 0.00 0.00 -1.00 -4.86 105.19 102.64 1wsp n GLY 804 Ca 0.59 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.31 1wsp n GLY 804 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wsp s VAL 805 N 0.00 3.31 0.12 1.61 1.01 -1.26 0.58 120.40 125.77 1wsp s VAL 805 Ca 0.00 -1.23 0.02 0.00 0.00 0.00 0.00 61.98 60.76 1wsp s VAL 805 Cb 0.00 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1wsp s VAL 805 CO 0.00 0.15 -0.05 0.68 0.00 0.00 0.00 175.10 175.89 1wsp s VAL 806 N -1.17 0.69 -0.54 2.92 -7.23 0.05 -4.83 120.40 110.29 1wsp s VAL 806 Ca 0.20 -1.95 -0.11 0.00 -1.81 0.00 0.00 61.98 58.31 1wsp s VAL 806 Cb -0.11 -1.80 0.14 0.00 0.56 0.00 0.00 36.38 35.17 1wsp s VAL 806 CO 0.12 -0.77 0.44 -0.36 -0.31 0.00 0.00 175.10 174.22 1wsp s PHE 807 N -3.64 3.42 0.02 2.82 0.40 -1.26 -0.57 117.98 119.18 1wsp s PHE 807 Ca 0.15 -1.81 -0.30 0.00 -0.60 0.00 0.00 56.93 54.37 1wsp s PHE 807 Cb 0.05 -3.59 -0.05 0.00 0.51 0.00 0.00 43.02 39.95 1wsp s PHE 807 CO -0.02 -0.99 1.21 -2.00 0.70 0.00 0.00 175.22 174.11 1wsp s GLU 808 N 1.18 4.40 -0.04 0.44 2.56 -0.52 -4.61 118.70 122.10 1wsp s GLU 808 Ca 0.07 1.75 -0.30 0.00 0.00 0.00 0.00 54.97 56.49 1wsp s GLU 808 Cb -0.25 -3.43 -0.02 0.00 2.00 0.00 0.00 34.13 32.42 1wsp s GLU 808 CO -0.01 -0.33 1.01 -2.00 -0.56 0.00 0.00 175.26 173.36 1wsp s GLU 809 N 1.52 4.50 -0.03 4.30 2.12 -1.26 -1.05 118.70 128.79 1wsp s GLU 809 Ca 0.58 1.43 0.07 0.00 0.36 0.00 0.00 54.97 57.41 1wsp s GLU 809 Cb -0.28 -3.49 -0.02 0.00 0.26 0.00 0.00 34.13 30.60 1wsp s GLU 809 CO 0.27 -0.17 -0.23 0.08 -0.54 0.00 0.00 175.26 174.66 1wsp s VAL 810 N 1.43 2.26 0.00 3.70 1.01 -0.27 -5.00 120.40 123.53 1wsp s VAL 810 Ca 0.51 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1wsp s VAL 810 Cb -0.20 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.36 1wsp s VAL 810 CO 0.24 0.58 0.00 0.54 0.00 0.00 0.00 175.10 176.46 1wsp n ARG 811 N 2.53 0.73 -3.30 2.72 1.74 -1.26 -4.17 116.66 115.65 1wsp n ARG 811 Ca -0.17 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.53 1wsp n ARG 811 Cb 0.51 -0.84 -0.06 0.00 -1.02 0.00 0.00 32.46 31.06 1wsp n ARG 811 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1wsp s GLU 812 N -1.67 4.32 0.45 5.56 2.02 -1.26 -4.96 118.70 123.15 1wsp s GLU 812 Ca 0.00 0.51 0.13 0.00 0.02 0.00 0.00 54.97 55.63 1wsp s GLU 812 Cb 0.00 -3.41 1.05 0.00 0.10 0.00 0.00 34.13 31.87 1wsp s GLU 812 CO 0.00 0.21 2.03 -0.44 0.02 0.00 0.00 175.26 177.08 1wsp h ASP 813 N 6.48 0.31 1.11 -0.19 3.32 -1.97 -0.49 116.42 124.99 1wsp h ASP 813 Ca -0.42 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1wsp h ASP 813 Cb 1.18 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1wsp h ASP 813 CO 0.74 0.20 -0.03 -0.62 -1.72 0.00 0.00 179.24 177.82 1wsp n GLU 814 N -4.48 0.07 -2.19 3.56 -0.58 -1.26 -1.48 120.64 114.29 1wsp n GLU 814 Ca 0.06 0.06 -0.40 0.00 -0.42 0.00 0.00 57.16 56.46 1wsp n GLU 814 Cb 0.25 -1.58 -0.02 0.00 -0.57 0.00 0.00 31.44 29.51 1wsp n GLU 814 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wsp s ALA 815 N -3.03 3.35 -0.18 0.62 0.00 -0.19 -4.80 121.76 117.54 1wsp s ALA 815 Ca 0.13 1.14 -0.20 0.00 0.00 0.00 0.00 51.96 53.03 1wsp s ALA 815 Cb 0.17 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 1wsp s ALA 815 CO 0.56 -0.60 0.60 0.42 0.00 0.00 0.00 175.76 176.74 1wsp s ILE 816 N -1.23 5.06 0.35 0.00 -1.09 -1.26 -1.02 121.20 122.01 1wsp s ILE 816 Ca 0.52 1.14 -0.27 0.00 -2.23 0.00 0.00 60.65 59.81 1wsp s ILE 816 Cb -0.36 -3.92 -0.09 0.00 -1.58 0.00 0.00 42.46 36.50 1wsp s ILE 816 CO 0.47 0.16 1.19 -0.76 -1.23 0.00 0.00 174.94 174.77 1wsp s LEU 817 N 1.60 4.35 0.79 2.97 1.43 0.19 -4.95 118.68 125.06 1wsp s LEU 817 Ca 0.28 2.41 -0.12 0.00 -1.03 0.00 0.00 54.13 55.68 1wsp s LEU 817 Cb -0.16 -3.82 0.07 0.00 0.03 0.00 0.00 46.19 42.31 1wsp s LEU 817 CO 0.11 -0.50 1.13 -2.16 0.23 0.00 0.00 176.35 175.17 1wsp s PRO 818 N -1.94 1.92 -0.19 1.29 0.04 -1.26 -4.77 135.00 130.08 1wsp s PRO 818 Ca 0.52 1.44 -0.02 0.00 0.04 0.00 0.00 61.00 62.97 1wsp s PRO 818 Cb -0.33 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 1wsp s PRO 818 CO 0.43 -1.93 -0.08 0.08 0.04 0.00 0.00 177.00 175.53 1wsp s VAL 819 N -2.56 3.16 -0.19 -0.36 1.01 -1.26 -4.67 120.40 115.53 1wsp s VAL 819 Ca 0.66 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.99 1wsp s VAL 819 Cb -0.22 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1wsp s VAL 819 CO 0.52 0.47 0.04 0.12 0.00 0.00 0.00 175.10 176.25 1wsp s PHE 820 N 1.13 3.18 -0.91 5.22 5.36 0.23 -4.55 117.98 127.64 1wsp s PHE 820 Ca 0.01 -0.07 -0.08 0.00 -0.96 0.00 0.00 56.93 55.83 1wsp s PHE 820 Cb -0.14 -2.08 0.01 0.00 -0.34 0.00 0.00 43.02 40.47 1wsp s PHE 820 CO -0.02 0.04 0.16 0.39 -1.46 0.00 0.00 175.22 174.32 1wsp n GLU 821 N 3.75 -0.80 0.00 10.12 1.02 -1.26 -0.41 120.64 133.06 1wsp n GLU 821 Ca -0.17 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 56.95 1wsp n GLU 821 Cb 0.52 -1.88 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 1wsp n GLU 821 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1wsp n GLU 822 N -3.38 0.00 -4.05 3.49 1.02 -1.26 -4.98 120.64 111.47 1wsp n GLU 822 Ca -0.16 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.76 1wsp n GLU 822 Cb 0.41 -1.07 -0.06 0.00 -0.02 0.00 0.00 31.44 30.71 1wsp n GLU 822 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1wsp s LYS 823 N -0.13 2.46 -0.37 3.49 1.02 0.45 -4.61 119.74 122.05 1wsp s LYS 823 Ca 0.00 -1.46 -0.11 0.00 0.02 0.00 0.00 55.97 54.41 1wsp s LYS 823 Cb 0.00 -2.25 0.02 0.00 -0.52 0.00 0.00 37.83 35.07 1wsp s LYS 823 CO 0.00 0.14 0.21 0.42 -0.92 0.00 0.00 175.35 175.20 1wsp s ILE 824 N -2.38 4.71 -0.38 2.17 1.01 -0.22 0.75 121.20 126.87 1wsp s ILE 824 Ca 0.38 -0.72 -0.08 0.00 0.00 0.00 0.00 60.65 60.23 1wsp s ILE 824 Cb -0.04 -3.58 0.05 0.00 0.01 0.00 0.00 42.46 38.91 1wsp s ILE 824 CO 0.23 -0.18 0.18 -0.63 0.00 0.00 0.00 174.94 174.55 1wsp s ILE 825 N 1.59 4.10 0.11 2.92 1.01 -1.26 -1.30 121.20 128.37 1wsp s ILE 825 Ca 0.03 -1.19 0.06 0.00 0.00 0.00 0.00 60.65 59.55 1wsp s ILE 825 Cb -0.19 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 1wsp s ILE 825 CO 0.07 -0.32 -0.01 -0.83 0.00 0.00 0.00 174.94 173.85 1wsp s GLY 826 N 1.69 1.86 -0.19 6.18 0.00 0.03 -1.48 107.32 115.42 1wsp s GLY 826 Ca 0.01 -1.18 -0.02 0.00 0.00 0.00 0.00 44.72 43.53 1wsp s GLY 826 CO 0.03 -1.17 -0.11 0.54 0.00 0.00 0.00 173.10 172.40 1wsp s LYS 827 N -2.42 3.25 -0.24 2.90 -0.14 0.12 -0.59 119.74 122.62 1wsp s LYS 827 Ca 0.26 -0.70 -0.06 0.00 -1.36 0.00 0.00 55.97 54.11 1wsp s LYS 827 Cb -0.11 -2.80 -0.02 0.00 -1.68 0.00 0.00 37.83 33.22 1wsp s LYS 827 CO 0.18 -0.13 0.01 0.08 -0.76 0.00 0.00 175.35 174.74 1wsp s VAL 828 N 1.21 3.83 -0.14 3.17 1.01 -0.10 -0.98 120.40 128.40 1wsp s VAL 828 Ca 0.02 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.68 1wsp s VAL 828 Cb -0.14 -2.77 0.01 0.00 0.00 0.00 0.00 36.38 33.47 1wsp s VAL 828 CO -0.04 0.37 -0.22 -1.61 0.00 0.00 0.00 175.10 173.60 1wsp s GLU 829 N 1.54 3.03 0.25 2.72 0.41 -0.88 -0.26 118.70 125.52 1wsp s GLU 829 Ca 0.06 -0.86 -0.30 0.00 -0.41 0.00 0.00 54.97 53.47 1wsp s GLU 829 Cb -0.15 -2.42 -0.09 0.00 -1.78 0.00 0.00 34.13 29.69 1wsp s GLU 829 CO 0.00 0.01 1.30 0.21 -0.49 0.00 0.00 175.26 176.29 1wsp s LYS 830 N 0.75 4.39 0.04 1.61 2.20 -1.26 -1.24 119.74 126.24 1wsp s LYS 830 Ca -0.08 2.10 -0.28 0.00 -0.36 0.00 0.00 55.97 57.35 1wsp s LYS 830 Cb -0.16 -3.15 -0.05 0.00 -1.51 0.00 0.00 37.83 32.97 1wsp s LYS 830 CO -0.01 -0.20 0.89 0.08 -0.36 0.00 0.00 175.35 175.75 1wsp s VAL 831 N -0.41 4.72 0.00 4.02 1.01 -0.60 -4.90 120.40 124.25 1wsp s VAL 831 Ca 0.53 1.89 0.00 0.00 0.00 0.00 0.00 61.98 64.41 1wsp s VAL 831 Cb -0.38 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 31.76 1wsp s VAL 831 CO 0.43 0.28 0.00 -0.67 0.00 0.00 0.00 175.10 175.14