#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2doe s SER 778 N 0.00 6.20 0.24 1.61 0.01 -1.26 -4.96 113.70 115.55 2doe s SER 778 Ca 0.00 -0.49 -0.05 0.00 1.31 0.00 0.00 55.95 56.72 2doe s SER 778 Cb 0.00 -2.22 0.45 0.00 0.21 0.00 0.00 66.02 64.47 2doe s SER 778 CO 0.00 -0.50 1.70 0.77 0.41 0.00 0.00 173.24 175.63 2doe h SER 779 N 8.63 0.12 -0.81 2.44 4.64 -2.08 -3.47 113.55 123.01 2doe h SER 779 Ca -0.28 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2doe h SER 779 Cb 1.12 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2doe h SER 779 CO 0.76 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 177.35 2doe n GLY 780 N -1.34 4.50 0.27 -0.77 0.00 -1.26 -5.05 105.19 101.54 2doe n GLY 780 Ca 0.14 -1.17 -0.17 0.00 0.00 0.00 0.00 46.02 44.82 2doe n GLY 780 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2doe n SER 781 N 0.00 1.90 -3.46 1.61 2.88 -1.26 -5.08 113.62 110.20 2doe n SER 781 Ca 0.00 0.09 -0.12 0.00 -1.33 0.00 0.00 58.87 57.51 2doe n SER 781 Cb 0.00 -0.44 -0.03 0.00 -0.75 0.00 0.00 64.21 62.99 2doe n SER 781 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2doe s SER 782 N -6.29 -0.51 0.00 -3.46 0.15 -1.26 -5.10 113.70 97.23 2doe s SER 782 Ca -0.25 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.37 2doe s SER 782 Cb 0.08 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 2doe s SER 782 CO 0.37 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.49 2doe n GLY 783 N -0.29 0.98 3.23 9.45 0.00 -1.26 -5.12 105.19 112.18 2doe n GLY 783 Ca -0.17 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 2doe n GLY 783 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2doe s GLU 784 N -0.09 2.76 -0.07 1.61 1.03 -1.26 -4.96 118.70 117.72 2doe s GLU 784 Ca 0.00 -1.04 -0.10 0.00 0.03 0.00 0.00 54.97 53.86 2doe s GLU 784 Cb 0.00 -3.14 -0.04 0.00 -0.80 0.00 0.00 34.13 30.15 2doe s GLU 784 CO 0.00 -0.48 -0.20 1.17 -1.33 0.00 0.00 175.26 174.42 2doe n LYS 785 N 4.70 0.30 -4.02 -4.83 4.81 -1.26 -4.96 118.16 112.90 2doe n LYS 785 Ca -0.15 0.12 -0.32 0.00 -0.87 0.00 0.00 58.31 57.09 2doe n LYS 785 Cb 0.46 -1.02 -0.15 0.00 0.02 0.00 0.00 35.03 34.34 2doe n LYS 785 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2doe s GLU 786 N -2.48 1.85 0.17 1.64 2.02 -1.26 -5.00 118.70 115.64 2doe s GLU 786 Ca -0.17 -1.64 -0.18 0.00 0.02 0.00 0.00 54.97 53.00 2doe s GLU 786 Cb 0.03 -3.10 0.09 0.00 0.10 0.00 0.00 34.13 31.25 2doe s GLU 786 CO 0.24 -0.78 1.65 0.38 0.02 0.00 0.00 175.26 176.77 2doe h ASP 787 N 7.71 -0.54 -0.87 -0.19 2.03 -1.93 -1.25 116.42 121.39 2doe h ASP 787 Ca -0.11 0.14 0.20 0.00 -0.73 0.00 0.00 57.03 56.53 2doe h ASP 787 Cb 1.03 0.31 -0.16 0.00 -0.83 0.00 0.00 39.33 39.68 2doe h ASP 787 CO 0.50 -0.19 -0.07 0.77 -1.03 0.00 0.00 179.24 179.22 2doe h SER 788 N -0.09 -0.56 0.04 4.15 4.64 -2.00 0.25 113.55 119.98 2doe h SER 788 Ca 0.19 0.25 -0.00 0.00 -0.47 0.00 0.00 61.79 61.75 2doe h SER 788 Cb 0.37 0.46 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2doe h SER 788 CO -0.43 -0.27 -0.02 0.11 -0.87 0.00 0.00 176.83 175.35 2doe h LYS 789 N 0.04 -0.05 -2.72 4.77 6.56 -1.71 -3.26 116.57 120.20 2doe h LYS 789 Ca 0.47 0.00 -0.70 0.00 -1.06 0.00 0.00 60.65 59.36 2doe h LYS 789 Cb 0.84 0.01 -0.07 0.00 -0.57 0.00 0.00 32.23 32.44 2doe h LYS 789 CO -0.83 0.30 2.82 2.41 -2.06 0.00 0.00 179.45 182.09 2doe n THR 790 N -4.95 4.85 0.11 -0.16 -1.04 0.04 -4.46 114.28 108.68 2doe n THR 790 Ca -0.08 -3.65 0.10 0.00 -2.04 0.00 0.00 64.05 58.38 2doe n THR 790 Cb 0.20 -2.25 0.00 0.00 -1.82 0.00 0.00 70.33 66.46 2doe n THR 790 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 2doe h ARG 791 N 4.67 0.00 -0.81 -2.82 2.43 -1.52 -3.37 114.38 112.96 2doe h ARG 791 Ca 0.75 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 60.06 2doe h ARG 791 Cb 0.32 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.78 2doe h ARG 791 CO 1.55 0.03 0.40 0.78 -1.51 0.00 0.00 179.97 181.22 2doe h GLY 792 N 3.97 1.29 1.65 2.80 0.00 -1.89 0.30 103.07 111.18 2doe h GLY 792 Ca -0.01 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 2doe h GLY 792 CO 0.00 -0.03 -0.07 1.05 0.00 0.00 0.00 176.54 177.49 2doe h GLU 793 N 0.60 0.44 -0.01 4.80 4.11 -1.96 -1.98 114.58 120.58 2doe h GLU 793 Ca 0.44 -0.10 -0.00 0.00 0.07 0.00 0.00 59.36 59.76 2doe h GLU 793 Cb 0.60 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2doe h GLU 793 CO -0.35 0.52 0.00 -0.22 0.07 0.00 0.00 179.01 179.03 2doe h LYS 794 N 0.41 0.01 -0.51 1.06 1.63 -1.17 -1.96 116.57 116.05 2doe h LYS 794 Ca 0.08 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 2doe h LYS 794 Cb 0.39 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.99 2doe h LYS 794 CO 0.02 0.22 0.28 0.82 -3.45 0.00 0.00 179.45 177.34 2doe h ILE 795 N -0.20 1.17 -0.04 2.00 2.04 -1.23 -2.42 117.51 118.83 2doe h ILE 795 Ca 0.00 -0.44 0.03 0.00 1.00 0.00 0.00 64.86 65.45 2doe h ILE 795 Cb 0.22 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 2doe h ILE 795 CO -0.00 0.18 -0.15 0.50 0.00 0.00 0.00 178.15 178.69 2doe h LYS 796 N 0.68 -0.21 0.09 2.37 3.64 -1.30 -1.48 116.57 120.35 2doe h LYS 796 Ca 0.18 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.60 2doe h LYS 796 Cb 0.05 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 2doe h LYS 796 CO -0.03 -0.14 -0.35 1.03 -2.27 0.00 0.00 179.45 177.69 2doe h SER 797 N -0.22 -1.03 -0.07 4.20 0.87 -1.21 -2.20 113.55 113.89 2doe h SER 797 Ca 0.06 0.12 0.02 0.00 -1.23 0.00 0.00 61.79 60.77 2doe h SER 797 Cb 0.31 0.39 -0.05 0.00 -0.44 0.00 0.00 62.40 62.61 2doe h SER 797 CO -0.17 -0.43 -0.48 0.44 -0.53 0.00 0.00 176.83 175.66 2doe h ASP 798 N -0.56 -1.50 -0.86 6.23 3.32 -1.23 -0.89 116.42 120.93 2doe h ASP 798 Ca 0.04 0.17 0.09 0.00 0.02 0.00 0.00 57.03 57.35 2doe h ASP 798 Cb 0.60 0.58 -0.11 0.00 0.22 0.00 0.00 39.33 40.62 2doe h ASP 798 CO -0.23 -0.44 -0.56 0.15 -1.72 0.00 0.00 179.24 176.44 2doe h PHE 799 N -0.55 -1.78 -0.14 4.55 3.57 -1.09 -0.51 116.94 121.00 2doe h PHE 799 Ca 0.02 0.12 0.05 0.00 3.53 0.00 0.00 57.97 61.68 2doe h PHE 799 Cb 0.61 0.89 -0.07 0.00 2.79 0.00 0.00 35.95 40.18 2doe h PHE 799 CO -0.54 -0.40 -0.40 0.74 -2.23 0.00 0.00 178.31 175.48 2doe h PHE 800 N -0.09 -1.14 -0.93 0.41 0.04 -0.96 -1.67 116.94 112.59 2doe h PHE 800 Ca 0.16 0.05 0.18 0.00 2.80 0.00 0.00 57.97 61.15 2doe h PHE 800 Cb 0.47 0.52 -0.17 0.00 2.20 0.00 0.00 35.95 38.97 2doe h PHE 800 CO -0.94 -0.46 -0.27 0.93 -0.60 0.00 0.00 178.31 176.96 2doe h GLU 801 N -0.47 -0.01 0.62 1.51 4.39 0.30 -0.33 114.58 120.60 2doe h GLU 801 Ca 0.08 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.76 2doe h GLU 801 Cb 0.61 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2doe h GLU 801 CO -0.40 -0.01 -0.39 1.25 -1.16 0.00 0.00 179.01 178.30 2doe h LEU 802 N -0.01 -1.01 -0.56 1.33 5.85 -0.50 -1.38 115.31 119.03 2doe h LEU 802 Ca 0.42 0.06 0.06 0.00 0.84 0.00 0.00 57.88 59.25 2doe h LEU 802 Cb 0.66 0.30 -0.08 0.00 0.37 0.00 0.00 40.66 41.91 2doe h LEU 802 CO -0.96 -0.60 -0.45 -0.07 -0.34 0.00 0.00 178.44 176.02 2doe h LEU 803 N -0.95 -1.60 -0.88 2.25 3.38 -0.51 0.24 115.31 117.24 2doe h LEU 803 Ca -0.08 0.23 0.21 0.00 0.09 0.00 0.00 57.88 58.32 2doe h LEU 803 Cb 0.77 0.68 -0.12 0.00 0.09 0.00 0.00 40.66 42.08 2doe h LEU 803 CO 0.07 -0.25 0.37 -1.28 0.09 0.00 0.00 178.44 177.45 2doe h SER 804 N -0.15 0.30 0.11 -0.43 0.87 -1.10 0.82 113.55 113.97 2doe h SER 804 Ca 0.09 0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 2doe h SER 804 Cb 0.40 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 2doe h SER 804 CO -0.61 0.01 -0.04 0.78 -0.53 0.00 0.00 176.83 176.43 2doe h ASN 805 N 0.40 0.00 -0.13 6.23 4.21 0.59 -2.24 115.58 124.64 2doe h ASN 805 Ca 0.54 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.97 2doe h ASN 805 Cb 1.00 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.16 2doe h ASN 805 CO -0.52 0.04 0.10 1.41 -1.29 0.00 0.00 177.43 177.17 2doe n HIS 806 N -3.84 0.41 -3.90 1.19 8.25 0.28 -4.83 115.22 112.79 2doe n HIS 806 Ca -0.03 -0.89 -0.28 0.00 -0.26 0.00 0.00 57.72 56.26 2doe n HIS 806 Cb 0.13 -0.45 -0.03 0.00 1.12 0.00 0.00 29.99 30.77 2doe n HIS 806 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2doe n HIS 807 N 0.62 -0.94 -0.70 4.41 8.25 -0.84 -4.82 115.22 121.19 2doe n HIS 807 Ca 0.08 0.24 -0.24 0.00 -0.26 0.00 0.00 57.72 57.54 2doe n HIS 807 Cb 0.60 -1.99 0.11 0.00 1.12 0.00 0.00 29.99 29.83 2doe n HIS 807 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2doe n LEU 808 N -3.75 -2.06 -3.85 2.41 4.77 -1.25 -5.04 117.00 108.23 2doe n LEU 808 Ca -0.16 -0.18 -0.09 0.00 -0.03 0.00 0.00 56.01 55.54 2doe n LEU 808 Cb 0.45 -0.71 0.01 0.00 -2.33 0.00 0.00 43.42 40.84 2doe n LEU 808 CO 0.57 -2.86 0.48 -1.81 -1.33 0.00 0.00 177.39 172.44 2doe s ASP 809 N -1.59 0.12 0.13 -1.43 1.01 -1.26 -5.04 116.67 108.60 2doe s ASP 809 Ca 0.36 -1.17 -0.07 0.00 0.71 0.00 0.00 52.55 52.37 2doe s ASP 809 Cb -0.03 0.82 -0.09 0.00 1.01 0.00 0.00 42.92 44.64 2doe s ASP 809 CO 0.44 -1.63 1.32 0.28 0.21 0.00 0.00 175.17 175.79 2doe h SER 810 N 2.01 0.69 -0.66 0.27 0.02 -1.95 -3.15 113.55 110.78 2doe h SER 810 Ca -0.31 -0.50 -0.34 0.00 -0.84 0.00 0.00 61.79 59.80 2doe h SER 810 Cb 1.25 -0.21 -0.20 0.00 0.14 0.00 0.00 62.40 63.38 2doe h SER 810 CO 0.40 1.28 0.43 0.00 -1.14 0.00 0.00 176.83 177.80 2doe n GLN 811 N -3.84 1.84 -3.16 3.45 3.00 -1.26 -4.91 117.38 112.51 2doe n GLN 811 Ca -0.07 -1.99 -0.40 0.00 -0.01 0.00 0.00 57.00 54.54 2doe n GLN 811 Cb 0.79 -1.78 -0.06 0.00 0.00 0.00 0.00 30.24 29.18 2doe n GLN 811 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2doe s SER 812 N -0.52 6.64 0.51 1.08 0.01 -1.19 -5.07 113.70 115.17 2doe s SER 812 Ca 0.38 0.77 0.04 0.00 1.31 0.00 0.00 55.95 58.45 2doe s SER 812 Cb 0.32 -2.33 0.03 0.00 0.21 0.00 0.00 66.02 64.25 2doe s SER 812 CO 0.07 -0.25 0.72 -0.13 0.41 0.00 0.00 173.24 174.06 2doe s ARG 813 N 1.85 2.61 -0.00 12.44 3.00 -1.26 -4.96 118.95 132.62 2doe s ARG 813 Ca 0.27 -0.95 -0.01 0.00 0.00 0.00 0.00 55.73 55.04 2doe s ARG 813 Cb -0.16 -2.57 -0.00 0.00 0.00 0.00 0.00 34.95 32.22 2doe s ARG 813 CO 0.10 -0.60 0.24 2.35 0.00 0.00 0.00 175.30 177.40 2doe h TRP 814 N 0.24 -0.02 -1.22 -0.53 -0.00 -1.98 -2.36 115.95 110.08 2doe h TRP 814 Ca -0.41 -0.00 0.40 0.00 -0.00 0.00 0.00 58.89 58.88 2doe h TRP 814 Cb 1.29 0.01 -0.10 0.00 -0.00 0.00 0.00 29.16 30.35 2doe h TRP 814 CO 0.37 -0.01 0.81 0.43 -0.00 0.00 0.00 178.44 180.03 2doe n SER 815 N -2.20 0.14 0.10 2.65 7.64 -1.26 0.30 113.62 120.98 2doe n SER 815 Ca -0.00 1.06 -0.06 0.00 1.01 0.00 0.00 58.87 60.88 2doe n SER 815 Cb 0.01 -0.52 -0.03 0.00 -1.01 0.00 0.00 64.21 62.65 2doe n SER 815 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2doe h LYS 816 N 0.00 -0.32 -0.91 1.43 1.79 -1.98 -1.49 116.57 115.08 2doe h LYS 816 Ca 0.73 0.02 0.16 0.00 -2.18 0.00 0.00 60.65 59.38 2doe h LYS 816 Cb 2.46 0.07 -0.10 0.00 -1.58 0.00 0.00 32.23 33.09 2doe h LYS 816 CO -0.31 -0.16 0.50 -0.24 -1.08 0.00 0.00 179.45 178.17 2doe h VAL 817 N -1.07 0.72 -0.24 0.50 3.04 0.41 0.88 116.25 120.49 2doe h VAL 817 Ca -0.03 -0.23 -0.15 0.00 -1.01 0.00 0.00 66.70 65.27 2doe h VAL 817 Cb 0.32 -0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 29.57 2doe h VAL 817 CO 0.06 0.12 -0.48 0.07 -1.01 0.00 0.00 177.57 176.33 2doe h LYS 818 N 0.68 0.64 0.00 4.17 2.10 -0.79 -0.72 116.57 122.65 2doe h LYS 818 Ca 0.51 -0.37 -0.06 0.00 -2.00 0.00 0.00 60.65 58.73 2doe h LYS 818 Cb 0.74 0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.09 2doe h LYS 818 CO -0.37 0.97 -0.29 0.22 -2.00 0.00 0.00 179.45 177.98 2doe h ASP 819 N 0.50 0.00 0.34 7.07 3.58 0.12 0.49 116.42 128.52 2doe h ASP 819 Ca 0.03 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.15 2doe h ASP 819 Cb 1.02 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.06 2doe h ASP 819 CO 0.10 0.29 -1.67 0.11 -2.88 0.00 0.00 179.24 175.19 2doe h LYS 820 N 0.00 0.27 0.00 0.28 1.79 -0.72 -3.35 116.57 114.84 2doe h LYS 820 Ca -0.00 -0.46 -0.19 0.00 -2.18 0.00 0.00 60.65 57.81 2doe h LYS 820 Cb 0.64 0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 31.43 2doe h LYS 820 CO 0.04 1.13 -0.96 -0.39 -1.08 0.00 0.00 179.45 178.19 2doe h VAL 821 N 0.07 1.46 -1.45 0.50 -1.51 -1.00 -3.31 116.25 111.02 2doe h VAL 821 Ca -0.30 -3.11 0.42 0.00 -1.23 0.00 0.00 66.70 62.48 2doe h VAL 821 Cb 2.04 2.72 -0.06 0.00 -2.13 0.00 0.00 31.29 33.86 2doe h VAL 821 CO 0.15 0.83 1.14 -1.84 -1.23 0.00 0.00 177.57 176.63 2doe n GLU 822 N -3.29 0.00 -0.19 5.19 -0.00 0.17 0.24 120.64 122.76 2doe n GLU 822 Ca -0.01 0.89 -0.03 0.00 -0.00 0.00 0.00 57.16 58.00 2doe n GLU 822 Cb 0.91 -2.08 0.04 0.00 -0.00 0.00 0.00 31.44 30.30 2doe n GLU 822 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2doe n SER 823 N -3.42 2.90 -3.97 -1.84 2.88 -1.25 -4.78 113.62 104.14 2doe n SER 823 Ca 0.33 -2.24 -0.16 0.00 -1.33 0.00 0.00 58.87 55.46 2doe n SER 823 Cb 1.58 -0.55 -0.14 0.00 -0.75 0.00 0.00 64.21 64.35 2doe n SER 823 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2doe s ASP 824 N 0.50 0.65 0.34 -3.46 2.15 0.65 -5.04 116.67 112.47 2doe s ASP 824 Ca 0.09 -0.12 0.13 0.00 0.43 0.00 0.00 52.55 53.09 2doe s ASP 824 Cb 0.08 -0.07 0.61 0.00 -0.30 0.00 0.00 42.92 43.23 2doe s ASP 824 CO 0.02 0.06 1.74 1.55 -0.17 0.00 0.00 175.17 178.37 2doe h PRO 825 N 5.95 0.00 -0.33 4.34 0.13 -1.86 -2.99 132.00 137.24 2doe h PRO 825 Ca -0.28 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.80 2doe h PRO 825 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2doe h PRO 825 CO 0.50 0.46 0.02 0.00 -0.23 0.00 0.00 178.00 178.74 2doe h ARG 826 N 0.00 0.49 0.00 0.86 3.08 -1.96 -1.64 114.38 115.21 2doe h ARG 826 Ca -0.00 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 2doe h ARG 826 Cb 0.84 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.81 2doe h ARG 826 CO 0.06 0.50 -0.04 -0.92 -1.07 0.00 0.00 179.97 178.50 2doe h TYR 827 N 0.48 0.00 0.00 3.04 5.03 -1.82 -1.57 116.97 122.12 2doe h TYR 827 Ca 0.11 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.35 2doe h TYR 827 Cb 0.28 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.55 2doe h TYR 827 CO 0.01 0.04 -0.38 0.87 -1.32 0.00 0.00 178.16 177.39 2doe h LYS 828 N 0.00 0.00 -0.35 1.82 1.57 -1.41 -3.32 116.57 114.88 2doe h LYS 828 Ca -0.00 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 2doe h LYS 828 Cb 0.30 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.54 2doe h LYS 828 CO 0.01 0.27 -0.11 0.00 -0.57 0.00 0.00 179.45 179.05 2doe h ALA 829 N 1.71 0.20 -2.20 3.86 0.00 -1.24 -3.39 119.26 118.20 2doe h ALA 829 Ca -0.01 0.13 -0.55 0.00 0.00 0.00 0.00 54.91 54.48 2doe h ALA 829 Cb 1.23 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 2doe h ALA 829 CO 0.04 -0.48 1.06 0.08 0.00 0.00 0.00 179.25 179.94 2doe s VAL 830 N -6.20 3.74 -0.18 0.00 1.01 -1.25 -4.89 120.40 112.63 2doe s VAL 830 Ca -0.14 0.89 -0.10 0.00 0.00 0.00 0.00 61.98 62.63 2doe s VAL 830 Cb 0.14 -3.60 -0.22 0.00 0.00 0.00 0.00 36.38 32.69 2doe s VAL 830 CO 0.70 -0.11 0.17 -0.67 0.00 0.00 0.00 175.10 175.19 2doe n ASP 831 N 7.25 2.02 -4.72 3.32 -0.08 -1.26 -4.90 116.55 118.19 2doe n ASP 831 Ca 0.17 0.22 -0.42 0.00 -1.51 0.00 0.00 54.79 53.25 2doe n ASP 831 Cb 0.44 -0.82 -0.03 0.00 2.34 0.00 0.00 41.12 43.05 2doe n ASP 831 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2doe s SER 832 N -6.96 6.91 0.04 1.67 0.15 -1.26 -4.94 113.70 109.31 2doe s SER 832 Ca -0.27 2.25 -0.20 0.00 0.70 0.00 0.00 55.95 58.43 2doe s SER 832 Cb 0.08 -2.59 -0.15 0.00 -1.71 0.00 0.00 66.02 61.65 2doe s SER 832 CO 0.67 -0.58 1.32 0.77 1.20 0.00 0.00 173.24 176.62 2doe h SER 833 N 6.58 0.45 -0.76 5.45 4.64 -2.01 -3.17 113.55 124.73 2doe h SER 833 Ca -0.42 -0.52 0.17 0.00 -0.47 0.00 0.00 61.79 60.54 2doe h SER 833 Cb 1.21 -0.13 -0.11 0.00 -0.31 0.00 0.00 62.40 63.06 2doe h SER 833 CO 0.84 0.89 0.22 -1.28 -0.87 0.00 0.00 176.83 176.62 2doe h SER 834 N 0.03 0.08 -0.48 4.97 0.87 -2.00 0.11 113.55 117.13 2doe h SER 834 Ca 0.01 0.14 0.03 0.00 -1.23 0.00 0.00 61.79 60.75 2doe h SER 834 Cb 0.79 0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.89 2doe h SER 834 CO 0.05 -0.02 0.26 0.24 -0.53 0.00 0.00 176.83 176.83 2doe h MET 835 N 0.30 0.49 0.31 2.24 2.86 -1.97 0.96 114.93 120.12 2doe h MET 835 Ca 0.43 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 58.03 2doe h MET 835 Cb 0.74 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 2doe h MET 835 CO -0.50 0.33 -0.29 0.00 1.06 0.00 0.00 176.91 177.51 2doe h ARG 836 N 0.51 -0.56 0.46 1.72 3.08 -0.97 0.24 114.38 118.85 2doe h ARG 836 Ca 0.20 0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 2doe h ARG 836 Cb 0.08 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2doe h ARG 836 CO -0.12 -0.38 -0.49 0.93 -1.07 0.00 0.00 179.97 178.84 2doe h GLU 837 N -0.58 -0.92 -0.49 0.04 5.08 -1.35 -0.51 114.58 115.85 2doe h GLU 837 Ca -0.04 0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.45 2doe h GLU 837 Cb 0.50 0.21 -0.09 0.00 0.50 0.00 0.00 28.75 29.87 2doe h GLU 837 CO -0.02 -0.62 -0.51 0.22 -1.00 0.00 0.00 179.01 177.08 2doe h ASP 838 N -0.96 -1.73 -0.29 1.42 1.82 -0.82 0.33 116.42 116.19 2doe h ASP 838 Ca -0.06 0.25 0.07 0.00 -0.39 0.00 0.00 57.03 56.90 2doe h ASP 838 Cb 0.84 0.74 -0.08 0.00 0.68 0.00 0.00 39.33 41.51 2doe h ASP 838 CO -0.08 -0.37 -0.30 -0.07 -1.61 0.00 0.00 179.24 176.81 2doe h LEU 839 N -0.32 -0.96 0.34 2.28 3.38 -0.38 0.28 115.31 119.93 2doe h LEU 839 Ca 0.11 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 2doe h LEU 839 Cb 0.58 0.44 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 2doe h LEU 839 CO -0.64 -0.32 -0.28 0.15 0.09 0.00 0.00 178.44 177.44 2doe h PHE 840 N -0.28 -0.78 -1.05 1.13 3.57 0.00 -0.80 116.94 118.73 2doe h PHE 840 Ca 0.14 0.00 0.29 0.00 3.53 0.00 0.00 57.97 61.93 2doe h PHE 840 Cb 0.52 0.29 -0.12 0.00 2.79 0.00 0.00 35.95 39.43 2doe h PHE 840 CO -0.46 -0.39 0.64 0.87 -2.23 0.00 0.00 178.31 176.74 2doe h LYS 841 N -0.61 0.40 0.43 1.11 1.57 -0.19 -0.16 116.57 119.12 2doe h LYS 841 Ca -0.04 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2doe h LYS 841 Cb 0.51 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2doe h LYS 841 CO -0.00 0.27 -0.20 1.96 -0.57 0.00 0.00 179.45 180.90 2doe h GLN 842 N 0.41 -0.55 0.06 3.15 4.20 0.04 -0.46 115.11 121.96 2doe h GLN 842 Ca 0.67 0.04 0.02 0.00 0.06 0.00 0.00 58.65 59.44 2doe h GLN 842 Cb 1.55 0.13 -0.04 0.00 0.30 0.00 0.00 27.48 29.42 2doe h GLN 842 CO -0.44 -0.31 -0.26 -0.92 -0.67 0.00 0.00 178.83 176.23 2doe h TYR 843 N -0.68 -0.71 -0.02 2.96 5.03 0.39 -2.14 116.97 121.79 2doe h TYR 843 Ca -0.06 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.31 2doe h TYR 843 Cb 0.50 0.31 -0.05 0.00 1.55 0.00 0.00 36.73 39.04 2doe h TYR 843 CO -0.02 -0.36 -0.26 0.82 -1.32 0.00 0.00 178.16 177.02 2doe h ILE 844 N -0.44 0.40 -0.93 1.81 1.08 -1.23 -1.55 117.51 116.65 2doe h ILE 844 Ca 0.05 0.00 0.25 0.00 -0.39 0.00 0.00 64.86 64.77 2doe h ILE 844 Cb 0.49 0.40 -0.14 0.00 -3.07 0.00 0.00 36.82 34.51 2doe h ILE 844 CO -0.19 0.00 0.40 -0.33 -0.69 0.00 0.00 178.15 177.34 2doe h GLU 845 N -0.39 0.32 -0.22 2.37 4.39 -0.81 0.14 114.58 120.38 2doe h GLU 845 Ca 0.07 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 2doe h GLU 845 Cb 0.49 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2doe h GLU 845 CO -0.25 0.21 0.08 -0.22 -1.16 0.00 0.00 179.01 177.68 2doe h LYS 846 N 0.33 0.34 0.26 2.33 3.64 -0.64 -1.31 116.57 121.52 2doe h LYS 846 Ca 0.61 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.92 2doe h LYS 846 Cb 1.25 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 2doe h LYS 846 CO -0.59 0.41 -0.30 0.82 -2.27 0.00 0.00 179.45 177.52 2doe h ILE 847 N 0.19 0.00 -0.86 2.00 2.04 -0.04 -1.61 117.51 119.23 2doe h ILE 847 Ca 0.07 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.09 2doe h ILE 847 Cb 0.21 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.19 2doe h ILE 847 CO -0.00 0.00 0.44 0.00 0.00 0.00 0.00 178.15 178.58 2doe h ALA 848 N -1.20 1.32 -0.26 1.87 0.00 -1.38 -1.61 119.26 117.99 2doe h ALA 848 Ca -0.03 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2doe h ALA 848 Cb 0.51 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 2doe h ALA 848 CO -0.06 -0.13 -0.19 -0.22 0.00 0.00 0.00 179.25 178.66 2doe h LYS 849 N 0.59 -0.17 -4.80 0.00 3.11 -0.85 -3.37 116.57 111.09 2doe h LYS 849 Ca 0.48 0.01 -0.66 0.00 -2.81 0.00 0.00 60.65 57.67 2doe h LYS 849 Cb 0.72 0.04 -0.19 0.00 -1.00 0.00 0.00 32.23 31.80 2doe h LYS 849 CO -0.39 -0.11 -0.51 -0.80 -2.81 0.00 0.00 179.45 174.83 2doe s ASN 850 N -5.08 5.96 -0.24 4.20 0.01 -0.61 -5.06 114.94 114.11 2doe s ASN 850 Ca -0.14 -0.27 0.03 0.00 -0.71 0.00 0.00 52.86 51.76 2doe s ASN 850 Cb 0.12 -2.11 0.05 0.00 0.41 0.00 0.00 41.25 39.73 2doe s ASN 850 CO 0.69 -0.16 -0.13 -0.22 -1.51 0.00 0.00 177.10 175.77 2doe s LEU 851 N 1.72 3.18 -0.84 0.60 2.96 -1.26 -4.75 118.68 120.29 2doe s LEU 851 Ca 0.06 -1.25 -0.31 0.00 -0.22 0.00 0.00 54.13 52.41 2doe s LEU 851 Cb -0.17 -1.53 -0.20 0.00 0.50 0.00 0.00 46.19 44.79 2doe s LEU 851 CO 0.10 -0.15 2.40 -0.67 -1.32 0.00 0.00 176.35 176.70 2doe n ASP 852 N 4.47 0.35 -4.17 3.68 -0.08 -1.26 -4.85 116.55 114.69 2doe n ASP 852 Ca -0.15 0.25 -0.37 0.00 -1.51 0.00 0.00 54.79 53.01 2doe n ASP 852 Cb 0.44 -0.85 -0.11 0.00 2.34 0.00 0.00 41.12 42.94 2doe n ASP 852 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2doe s SER 853 N 7.80 5.34 -1.16 1.67 0.15 -1.26 -5.03 113.70 121.21 2doe s SER 853 Ca 1.23 -1.82 -0.14 0.00 0.70 0.00 0.00 55.95 55.93 2doe s SER 853 Cb -1.21 -1.87 0.18 0.00 -1.71 0.00 0.00 66.02 61.42 2doe s SER 853 CO 0.48 -0.52 1.35 -0.44 1.20 0.00 0.00 173.24 175.31 2doe s SER 854 N 1.91 7.06 0.00 5.45 0.01 -1.26 -4.97 113.70 121.90 2doe s SER 854 Ca 0.05 -2.98 0.00 0.00 1.31 0.00 0.00 55.95 54.33 2doe s SER 854 Cb -0.23 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2doe s SER 854 CO -0.02 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 173.53 2doe n GLY 855 N 4.05 4.88 0.00 3.44 0.00 -1.26 -5.00 105.19 111.30 2doe n GLY 855 Ca 0.33 -2.13 0.07 0.00 0.00 0.00 0.00 46.02 44.29 2doe n GLY 855 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2doe n PRO 856 N -0.12 0.30 -2.76 1.61 -0.04 -1.26 -4.63 135.00 128.10 2doe n PRO 856 Ca 0.00 0.10 -0.43 0.00 -0.04 0.00 0.00 63.50 63.13 2doe n PRO 856 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 2doe n PRO 856 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2doe s SER 857 N -2.39 6.50 0.80 3.54 1.04 -1.26 -5.03 113.70 116.90 2doe s SER 857 Ca 0.17 0.14 -0.11 0.00 0.48 0.00 0.00 55.95 56.63 2doe s SER 857 Cb 0.10 -2.48 0.07 0.00 0.10 0.00 0.00 66.02 63.82 2doe s SER 857 CO 0.21 -1.15 1.09 -0.44 0.98 0.00 0.00 173.24 173.94 2doe s SER 858 N 2.42 4.29 0.00 7.02 0.01 -1.26 -5.04 113.70 121.14 2doe s SER 858 Ca 0.39 1.73 0.00 0.00 1.31 0.00 0.00 55.95 59.38 2doe s SER 858 Cb -0.09 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2doe s SER 858 CO 0.27 -2.16 0.00 0.61 0.41 0.00 0.00 173.24 172.37