#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2doe n SER 778 N 0.00 1.87 -2.40 1.61 2.88 -1.26 -4.92 113.62 111.40 2doe n SER 778 Ca 0.00 0.48 -0.00 0.00 -1.33 0.00 0.00 58.87 58.02 2doe n SER 778 Cb 0.00 -0.85 -0.00 0.00 -0.75 0.00 0.00 64.21 62.61 2doe n SER 778 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2doe n SER 779 N -4.50 -0.94 0.00 -3.46 3.41 -1.26 -4.82 113.62 102.05 2doe n SER 779 Ca -0.19 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 2doe n SER 779 Cb 0.49 -0.97 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 2doe n SER 779 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2doe n GLY 780 N -0.47 1.14 3.39 5.00 0.00 -1.26 -5.01 105.19 107.98 2doe n GLY 780 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2doe n GLY 780 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2doe n SER 781 N 0.00 -1.93 -3.64 1.61 3.41 -1.26 -5.05 113.62 106.76 2doe n SER 781 Ca 0.00 -0.07 -0.07 0.00 -0.26 0.00 0.00 58.87 58.48 2doe n SER 781 Cb 0.00 -1.14 -0.07 0.00 -0.26 0.00 0.00 64.21 62.74 2doe n SER 781 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2doe s SER 782 N -2.14 -0.29 0.54 4.04 1.04 -1.26 -5.15 113.70 110.49 2doe s SER 782 Ca 0.62 0.54 0.00 0.00 0.48 0.00 0.00 55.95 57.59 2doe s SER 782 Cb -0.19 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2doe s SER 782 CO 0.65 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.38 2doe n GLY 783 N 1.87 -4.42 2.83 7.32 0.00 -1.26 -4.99 105.19 106.54 2doe n GLY 783 Ca -0.11 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 2doe n GLY 783 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2doe s GLU 784 N -4.33 0.80 0.00 1.61 0.41 -1.26 -5.00 118.70 110.93 2doe s GLU 784 Ca 0.00 -0.01 0.00 0.00 -0.41 0.00 0.00 54.97 54.55 2doe s GLU 784 Cb 0.00 -1.01 0.00 0.00 -1.78 0.00 0.00 34.13 31.34 2doe s GLU 784 CO 0.00 -0.23 0.00 1.63 -0.49 0.00 0.00 175.26 176.17 2doe n LYS 785 N 4.76 0.00 -1.60 1.61 4.76 -1.26 -5.03 118.16 121.40 2doe n LYS 785 Ca -0.14 0.00 -0.47 0.00 -2.87 0.00 0.00 58.31 54.84 2doe n LYS 785 Cb 0.50 -0.44 -0.05 0.00 -1.84 0.00 0.00 35.03 33.21 2doe n LYS 785 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2doe n GLU 786 N -2.64 1.89 -3.20 1.97 2.13 -1.26 -4.95 120.64 114.58 2doe n GLU 786 Ca 0.00 0.61 -0.25 0.00 0.66 0.00 0.00 57.16 58.18 2doe n GLU 786 Cb 0.31 -2.80 -0.01 0.00 0.27 0.00 0.00 31.44 29.21 2doe n GLU 786 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2doe s ASP 787 N 6.19 6.30 -0.92 4.31 1.11 -1.26 -4.73 116.67 127.68 2doe s ASP 787 Ca 0.99 0.59 -0.02 0.00 0.18 0.00 0.00 52.55 54.29 2doe s ASP 787 Cb -0.61 -2.09 0.23 0.00 1.07 0.00 0.00 42.92 41.52 2doe s ASP 787 CO 0.46 -0.35 0.83 -1.54 1.18 0.00 0.00 175.17 175.74 2doe n SER 788 N -1.82 4.36 -0.03 0.27 3.41 -1.26 -4.88 113.62 113.67 2doe n SER 788 Ca -0.03 -3.14 -0.01 0.00 -0.26 0.00 0.00 58.87 55.42 2doe n SER 788 Cb 0.56 -1.07 -0.00 0.00 -0.26 0.00 0.00 64.21 63.43 2doe n SER 788 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2doe h LYS 789 N 5.95 0.00 0.00 4.33 1.79 -1.96 -3.38 116.57 123.30 2doe h LYS 789 Ca 0.17 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.40 2doe h LYS 789 Cb 0.80 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.42 2doe h LYS 789 CO 0.88 0.00 -1.71 2.41 -1.08 0.00 0.00 179.45 179.95 2doe n THR 790 N -3.46 1.51 -0.09 -0.16 -1.04 -1.26 -4.39 114.28 105.38 2doe n THR 790 Ca -0.01 -0.11 0.26 0.00 -2.04 0.00 0.00 64.05 62.14 2doe n THR 790 Cb 0.05 -2.11 0.72 0.00 -1.82 0.00 0.00 70.33 67.17 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 -1.00 0.00 0.00 -2.82 2.43 -1.92 0.22 114.38 111.29 2doe h ARG 791 Ca -0.35 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 2doe h ARG 791 Cb 1.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 2doe h ARG 791 CO -0.21 0.00 0.03 0.41 -1.51 0.00 0.00 179.97 178.69 2doe n GLY 792 N -1.64 -0.44 0.24 2.80 0.00 -1.26 -2.84 105.19 102.05 2doe n GLY 792 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 2doe n GLY 792 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2doe h GLU 793 N 0.00 -0.58 -0.02 1.61 4.81 -0.83 -1.48 114.58 118.09 2doe h GLU 793 Ca 0.00 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 2doe h GLU 793 Cb 0.07 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 2doe h GLU 793 CO 0.00 -0.39 -0.18 1.57 -0.73 0.00 0.00 179.01 179.29 2doe h LYS 794 N -0.65 -0.27 -0.61 1.92 2.10 -1.76 -2.28 116.57 115.01 2doe h LYS 794 Ca -0.06 0.02 0.12 0.00 -2.00 0.00 0.00 60.65 58.72 2doe h LYS 794 Cb 0.46 0.06 -0.12 0.00 -0.90 0.00 0.00 32.23 31.73 2doe h LYS 794 CO 0.10 -0.18 -0.24 0.82 -2.00 0.00 0.00 179.45 177.95 2doe h ILE 795 N -0.28 0.27 -0.47 0.07 5.03 -1.62 0.19 117.51 120.70 2doe h ILE 795 Ca 0.06 0.00 0.07 0.00 -0.12 0.00 0.00 64.86 64.87 2doe h ILE 795 Cb 0.36 0.27 -0.06 0.00 -3.03 0.00 0.00 36.82 34.36 2doe h ILE 795 CO -0.18 0.00 0.11 0.50 -0.68 0.00 0.00 178.15 177.90 2doe h LYS 796 N -0.08 0.25 0.09 2.37 3.64 -0.87 0.64 116.57 122.61 2doe h LYS 796 Ca 0.27 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.66 2doe h LYS 796 Cb 0.51 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.23 2doe h LYS 796 CO -0.67 0.17 -0.37 1.03 -2.27 0.00 0.00 179.45 177.34 2doe h SER 797 N 0.26 -1.09 0.47 4.20 0.87 -0.44 -1.97 113.55 115.85 2doe h SER 797 Ca 0.23 0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.90 2doe h SER 797 Cb 0.28 0.42 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 2doe h SER 797 CO -0.28 -0.44 -0.31 -2.24 -0.53 0.00 0.00 176.83 173.02 2doe h ASP 798 N -0.58 -0.79 -0.98 6.23 3.04 -0.95 -2.14 116.42 120.24 2doe h ASP 798 Ca 0.03 0.05 0.20 0.00 -3.24 0.00 0.00 57.03 54.08 2doe h ASP 798 Cb 0.62 0.24 -0.19 0.00 -1.04 0.00 0.00 39.33 38.97 2doe h ASP 798 CO -0.24 -0.48 -0.22 0.33 -2.04 0.00 0.00 179.24 176.60 2doe n PHE 799 N -5.44 0.38 -0.09 4.15 7.35 0.18 0.51 117.46 124.51 2doe n PHE 799 Ca -0.11 1.20 -0.10 0.00 -0.76 0.00 0.00 57.45 57.68 2doe n PHE 799 Cb 0.34 -1.09 -0.03 0.00 0.35 0.00 0.00 39.48 39.05 2doe n PHE 799 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 2doe h PHE 800 N 0.00 0.42 -0.61 -5.13 0.04 -1.09 -2.41 116.94 108.16 2doe h PHE 800 Ca 0.49 -0.02 0.12 0.00 2.80 0.00 0.00 57.97 61.36 2doe h PHE 800 Cb 0.77 -0.13 -0.10 0.00 2.20 0.00 0.00 35.95 38.70 2doe h PHE 800 CO -0.73 0.39 0.05 0.93 -0.60 0.00 0.00 178.31 178.35 2doe h GLU 801 N 0.32 0.16 0.89 1.51 3.07 0.72 0.15 114.58 121.40 2doe h GLU 801 Ca 0.10 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.90 2doe h GLU 801 Cb 0.14 -0.04 0.01 0.00 -0.84 0.00 0.00 28.75 28.02 2doe h GLU 801 CO -0.01 0.10 -0.43 1.25 -1.40 0.00 0.00 179.01 178.52 2doe h LEU 802 N 0.16 -1.02 -0.11 1.33 5.85 -1.05 -1.00 115.31 119.47 2doe h LEU 802 Ca 0.32 0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.10 2doe h LEU 802 Cb 0.51 0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.74 2doe h LEU 802 CO -0.49 -0.70 -0.53 -0.07 -0.34 0.00 0.00 178.44 176.31 2doe h LEU 803 N -1.25 -1.69 -1.78 2.25 3.38 -1.06 0.15 115.31 115.31 2doe h LEU 803 Ca -0.12 0.20 0.23 0.00 0.09 0.00 0.00 57.88 58.28 2doe h LEU 803 Cb 0.92 0.65 -0.05 0.00 0.09 0.00 0.00 40.66 42.27 2doe h LEU 803 CO 0.20 -0.48 0.61 0.77 0.09 0.00 0.00 178.44 179.63 2doe h SER 804 N -0.59 0.18 1.32 -0.43 4.64 -0.76 0.75 113.55 118.66 2doe h SER 804 Ca 0.03 0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.33 2doe h SER 804 Cb 0.67 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 2doe h SER 804 CO -0.42 0.07 -0.20 0.78 -0.87 0.00 0.00 176.83 176.19 2doe h ASN 805 N 0.17 0.00 -0.21 4.97 4.21 0.62 -3.16 115.58 122.17 2doe h ASN 805 Ca 0.44 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.83 2doe h ASN 805 Cb 1.45 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 38.58 2doe h ASN 805 CO -0.08 0.20 0.15 1.41 -1.29 0.00 0.00 177.43 177.82 2doe n HIS 806 N -3.24 0.66 -3.91 1.19 8.25 0.26 -4.84 115.22 113.59 2doe n HIS 806 Ca 0.02 -0.97 -0.29 0.00 -0.26 0.00 0.00 57.72 56.22 2doe n HIS 806 Cb 0.50 -0.49 -0.03 0.00 1.12 0.00 0.00 29.99 31.10 2doe n HIS 806 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2doe n HIS 807 N 0.39 -0.96 -0.78 4.41 -0.00 -1.20 -4.82 115.22 112.28 2doe n HIS 807 Ca 0.13 0.24 -0.34 0.00 0.46 0.00 0.00 57.72 58.21 2doe n HIS 807 Cb 0.69 -2.03 0.13 0.00 -0.12 0.00 0.00 29.99 28.66 2doe n HIS 807 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2doe n LEU 808 N -3.80 -2.43 -3.72 0.27 4.77 -1.25 -5.04 117.00 105.80 2doe n LEU 808 Ca -0.16 -0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 55.69 2doe n LEU 808 Cb 0.46 -0.87 -0.05 0.00 -2.33 0.00 0.00 43.42 40.63 2doe n LEU 808 CO 0.58 -3.18 0.10 -0.62 -1.33 0.00 0.00 177.39 172.95 2doe s ASP 809 N -1.63 -0.14 0.25 -1.43 2.15 -1.26 -5.03 116.67 109.58 2doe s ASP 809 Ca 0.51 -0.45 -0.04 0.00 0.43 0.00 0.00 52.55 53.00 2doe s ASP 809 Cb -0.08 0.45 0.39 0.00 -0.30 0.00 0.00 42.92 43.38 2doe s ASP 809 CO 0.67 -0.85 1.82 0.77 -0.17 0.00 0.00 175.17 177.42 2doe h SER 810 N 2.45 0.73 -0.42 -0.34 4.64 -1.95 0.02 113.55 118.68 2doe h SER 810 Ca -0.33 0.04 -0.22 0.00 -0.47 0.00 0.00 61.79 60.81 2doe h SER 810 Cb 1.24 -0.11 -0.13 0.00 -0.31 0.00 0.00 62.40 63.10 2doe h SER 810 CO 0.48 0.43 0.28 0.00 -0.87 0.00 0.00 176.83 177.15 2doe n GLN 811 N -4.70 1.52 -2.87 4.77 6.02 -1.26 -4.90 117.38 115.96 2doe n GLN 811 Ca 0.13 -1.26 -0.41 0.00 -0.01 0.00 0.00 57.00 55.45 2doe n GLN 811 Cb 0.25 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.98 2doe n GLN 811 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2doe s SER 812 N 0.04 7.03 0.07 1.08 0.01 -0.01 -5.05 113.70 116.88 2doe s SER 812 Ca 0.24 1.26 -0.02 0.00 1.31 0.00 0.00 55.95 58.74 2doe s SER 812 Cb 0.20 -2.47 -0.04 0.00 0.21 0.00 0.00 66.02 63.92 2doe s SER 812 CO 0.05 -0.35 0.26 -0.13 0.41 0.00 0.00 173.24 173.47 2doe s ARG 813 N 1.83 3.50 0.00 12.44 1.81 -1.26 -4.97 118.95 132.30 2doe s ARG 813 Ca 0.41 -0.30 -0.03 0.00 -1.72 0.00 0.00 55.73 54.09 2doe s ARG 813 Cb -0.17 -3.00 -0.02 0.00 -0.45 0.00 0.00 34.95 31.31 2doe s ARG 813 CO 0.15 0.58 0.87 2.35 -0.68 0.00 0.00 175.30 178.58 2doe h TRP 814 N 3.18 -0.09 -1.01 -0.53 -0.00 -1.99 -1.68 115.95 113.83 2doe h TRP 814 Ca -0.46 -0.00 0.34 0.00 -0.00 0.00 0.00 58.89 58.77 2doe h TRP 814 Cb 1.17 0.03 -0.09 0.00 -0.00 0.00 0.00 29.16 30.27 2doe h TRP 814 CO 0.62 -0.06 0.66 0.45 -0.00 0.00 0.00 178.44 180.12 2doe n SER 815 N -2.31 0.13 0.10 2.65 2.88 -1.26 0.77 113.62 116.58 2doe n SER 815 Ca -0.01 0.93 -0.07 0.00 -1.33 0.00 0.00 58.87 58.39 2doe n SER 815 Cb 0.04 -0.46 -0.04 0.00 -0.75 0.00 0.00 64.21 63.00 2doe n SER 815 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2doe h LYS 816 N 0.00 -0.33 -0.75 -1.46 1.79 -1.95 -1.31 116.57 112.56 2doe h LYS 816 Ca 0.62 0.02 0.11 0.00 -2.18 0.00 0.00 60.65 59.22 2doe h LYS 816 Cb 2.05 0.07 -0.08 0.00 -1.58 0.00 0.00 32.23 32.70 2doe h LYS 816 CO -0.29 -0.14 0.37 -0.24 -1.08 0.00 0.00 179.45 178.07 2doe h VAL 817 N -1.06 0.81 -0.29 0.50 3.04 0.13 0.55 116.25 119.94 2doe h VAL 817 Ca -0.03 -0.20 -0.12 0.00 -1.01 0.00 0.00 66.70 65.33 2doe h VAL 817 Cb 0.35 0.16 -0.01 0.00 -2.01 0.00 0.00 31.29 29.77 2doe h VAL 817 CO 0.06 0.11 -0.31 0.07 -1.01 0.00 0.00 177.57 176.49 2doe h LYS 818 N 0.60 0.61 -0.01 4.17 2.10 -0.71 0.75 116.57 124.06 2doe h LYS 818 Ca 0.38 -0.27 -0.16 0.00 -2.00 0.00 0.00 60.65 58.60 2doe h LYS 818 Cb 0.45 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.74 2doe h LYS 818 CO -0.30 0.84 -0.72 0.22 -2.00 0.00 0.00 179.45 177.50 2doe h ASP 819 N 0.52 0.12 0.80 7.07 1.82 0.05 0.15 116.42 126.95 2doe h ASP 819 Ca 0.06 -0.08 -0.24 0.00 -0.39 0.00 0.00 57.03 56.38 2doe h ASP 819 Cb 0.79 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.75 2doe h ASP 819 CO 0.06 0.79 -1.16 0.50 -1.61 0.00 0.00 179.24 177.83 2doe h LYS 820 N 0.06 0.12 0.00 0.28 1.63 0.24 -3.31 116.57 115.60 2doe h LYS 820 Ca -0.01 -0.21 -0.22 0.00 -0.85 0.00 0.00 60.65 59.36 2doe h LYS 820 Cb 1.27 0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 32.94 2doe h LYS 820 CO 0.10 1.07 -1.14 -0.39 -3.45 0.00 0.00 179.45 175.64 2doe h VAL 821 N 0.03 1.44 -1.57 2.00 -1.51 -0.83 -3.32 116.25 112.49 2doe h VAL 821 Ca -0.09 -3.16 0.46 0.00 -1.23 0.00 0.00 66.70 62.68 2doe h VAL 821 Cb 1.88 2.71 -0.06 0.00 -2.13 0.00 0.00 31.29 33.68 2doe h VAL 821 CO 0.16 0.82 1.16 -1.84 -1.23 0.00 0.00 177.57 176.65 2doe n GLU 822 N -3.26 0.00 -0.26 5.19 0.28 0.04 0.24 120.64 122.86 2doe n GLU 822 Ca -0.04 0.89 -0.05 0.00 -0.16 0.00 0.00 57.16 57.80 2doe n GLU 822 Cb 0.95 -2.07 0.04 0.00 1.43 0.00 0.00 31.44 31.79 2doe n GLU 822 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2doe n SER 823 N -3.52 3.16 -3.87 -1.84 7.64 -1.25 -4.78 113.62 109.16 2doe n SER 823 Ca 0.35 -2.34 -0.12 0.00 1.01 0.00 0.00 58.87 57.78 2doe n SER 823 Cb 1.64 -0.57 -0.14 0.00 -1.01 0.00 0.00 64.21 64.12 2doe n SER 823 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2doe s ASP 824 N 0.52 -0.00 0.41 6.43 -1.08 0.65 -5.04 116.67 118.56 2doe s ASP 824 Ca 0.12 0.01 0.20 0.00 -0.52 0.00 0.00 52.55 52.35 2doe s ASP 824 Cb 0.10 0.01 0.86 0.00 -1.46 0.00 0.00 42.92 42.43 2doe s ASP 824 CO 0.02 -0.00 1.83 1.55 0.52 0.00 0.00 175.17 179.09 2doe h PRO 825 N 6.15 0.00 -0.11 4.34 0.13 -1.86 -2.93 132.00 137.72 2doe h PRO 825 Ca -0.24 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.84 2doe h PRO 825 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2doe h PRO 825 CO 0.51 0.31 -0.14 0.00 -0.23 0.00 0.00 178.00 178.45 2doe h ARG 826 N 0.00 0.17 0.00 0.86 3.08 -1.96 -1.71 114.38 114.83 2doe h ARG 826 Ca -0.00 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 2doe h ARG 826 Cb 0.73 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.75 2doe h ARG 826 CO 0.04 0.32 -0.10 -0.92 -1.07 0.00 0.00 179.97 178.24 2doe h TYR 827 N 0.16 0.00 0.00 3.04 5.03 -1.81 -1.95 116.97 121.44 2doe h TYR 827 Ca 0.03 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.34 2doe h TYR 827 Cb 0.36 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.64 2doe h TYR 827 CO 0.00 0.10 0.00 0.87 -1.32 0.00 0.00 178.16 177.81 2doe h LYS 828 N 0.00 0.00 -0.39 1.82 1.57 -1.43 -3.30 116.57 114.84 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 0.47 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.72 2doe h LYS 828 CO 0.01 0.00 0.03 0.00 -0.57 0.00 0.00 179.45 178.92 2doe h ALA 829 N 2.35 0.37 -2.71 3.86 0.00 -1.36 -3.41 119.26 118.37 2doe h ALA 829 Ca 0.00 0.10 -0.51 0.00 0.00 0.00 0.00 54.91 54.50 2doe h ALA 829 Cb 0.79 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2doe h ALA 829 CO 0.00 -0.37 0.46 0.08 0.00 0.00 0.00 179.25 179.41 2doe s VAL 830 N -6.17 3.80 -0.08 0.00 1.01 -1.24 -4.94 120.40 112.77 2doe s VAL 830 Ca -0.13 1.65 0.04 0.00 0.00 0.00 0.00 61.98 63.53 2doe s VAL 830 Cb 0.13 -4.05 -0.07 0.00 0.00 0.00 0.00 36.38 32.39 2doe s VAL 830 CO 0.71 0.33 -0.02 0.47 0.00 0.00 0.00 175.10 176.59 2doe n ASP 831 N 1.94 3.31 -4.61 3.32 8.00 -1.26 -4.95 116.55 122.31 2doe n ASP 831 Ca 0.01 -0.02 -0.43 0.00 0.71 0.00 0.00 54.79 55.06 2doe n ASP 831 Cb 0.46 0.32 -0.03 0.00 -0.02 0.00 0.00 41.12 41.86 2doe n ASP 831 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2doe s SER 832 N -4.28 6.71 0.21 -2.24 0.01 -1.26 -4.92 113.70 107.94 2doe s SER 832 Ca -0.07 0.62 -0.09 0.00 1.31 0.00 0.00 55.95 57.72 2doe s SER 832 Cb 0.02 -2.52 0.29 0.00 0.21 0.00 0.00 66.02 64.02 2doe s SER 832 CO 0.25 -1.05 1.75 0.77 0.41 0.00 0.00 173.24 175.36 2doe h SER 833 N 8.75 0.27 -0.95 2.44 4.64 -2.00 -1.21 113.55 125.50 2doe h SER 833 Ca -0.22 0.07 0.27 0.00 -0.47 0.00 0.00 61.79 61.44 2doe h SER 833 Cb 1.07 0.04 -0.14 0.00 -0.31 0.00 0.00 62.40 63.06 2doe h SER 833 CO 1.06 0.16 0.44 -1.28 -0.87 0.00 0.00 176.83 176.34 2doe h SER 834 N 0.44 0.36 -0.32 4.97 0.87 -2.00 0.44 113.55 118.30 2doe h SER 834 Ca 0.32 0.18 -0.14 0.00 -1.23 0.00 0.00 61.79 60.91 2doe h SER 834 Cb 0.38 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 2doe h SER 834 CO -0.30 -0.08 -0.33 0.24 -0.53 0.00 0.00 176.83 175.83 2doe h MET 835 N 0.34 0.85 0.23 2.24 2.07 -1.64 -1.28 114.93 117.75 2doe h MET 835 Ca 0.64 -0.41 0.01 0.00 -2.07 0.00 0.00 59.70 57.86 2doe h MET 835 Cb 1.33 -0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 31.02 2doe h MET 835 CO -0.59 1.05 -0.40 0.00 1.07 0.00 0.00 176.91 178.05 2doe h ARG 836 N 0.71 -0.68 0.40 1.72 2.47 0.13 0.32 114.38 119.47 2doe h ARG 836 Ca 0.07 0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.82 2doe h ARG 836 Cb 0.89 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 29.37 2doe h ARG 836 CO 0.08 -0.45 -0.19 0.93 0.56 0.00 0.00 179.97 180.90 2doe h GLU 837 N -0.70 -0.52 -0.26 0.04 3.07 -1.44 -2.16 114.58 112.60 2doe h GLU 837 Ca 0.00 0.04 0.04 0.00 -0.50 0.00 0.00 59.36 58.94 2doe h GLU 837 Cb 0.68 0.12 -0.07 0.00 -0.84 0.00 0.00 28.75 28.64 2doe h GLU 837 CO -0.16 -0.21 -0.53 0.22 -1.40 0.00 0.00 179.01 176.93 2doe h ASP 838 N -0.84 -1.71 -0.17 1.42 3.58 -1.19 0.28 116.42 117.78 2doe h ASP 838 Ca -0.06 0.22 0.05 0.00 0.42 0.00 0.00 57.03 57.66 2doe h ASP 838 Cb 0.55 0.69 -0.07 0.00 1.72 0.00 0.00 39.33 42.22 2doe h ASP 838 CO 0.09 -0.44 -0.35 -0.07 -2.88 0.00 0.00 179.24 175.59 2doe h LEU 839 N -0.48 -1.11 0.22 2.28 3.38 -0.42 0.31 115.31 119.48 2doe h LEU 839 Ca 0.06 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 2doe h LEU 839 Cb 0.64 0.47 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 2doe h LEU 839 CO -0.51 -0.37 -0.36 0.15 0.09 0.00 0.00 178.44 177.44 2doe h PHE 840 N -0.40 -1.02 -0.91 1.13 3.57 -0.73 -1.45 116.94 117.11 2doe h PHE 840 Ca 0.10 0.02 0.21 0.00 3.53 0.00 0.00 57.97 61.83 2doe h PHE 840 Cb 0.57 0.42 -0.12 0.00 2.79 0.00 0.00 35.95 39.61 2doe h PHE 840 CO -0.45 -0.44 0.46 0.87 -2.23 0.00 0.00 178.31 176.51 2doe h LYS 841 N -0.61 0.49 0.40 1.11 1.57 -0.25 -1.66 116.57 117.62 2doe h LYS 841 Ca -0.02 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2doe h LYS 841 Cb 0.57 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 2doe h LYS 841 CO -0.12 0.33 -0.46 1.96 -0.57 0.00 0.00 179.45 180.59 2doe h GLN 842 N 0.51 -0.85 -0.14 3.15 4.20 0.25 -0.68 115.11 121.56 2doe h GLN 842 Ca 0.56 0.06 0.05 0.00 0.06 0.00 0.00 58.65 59.37 2doe h GLN 842 Cb 0.99 0.19 -0.07 0.00 0.30 0.00 0.00 27.48 28.90 2doe h GLN 842 CO -0.47 -0.57 -0.37 -0.92 -0.67 0.00 0.00 178.83 175.83 2doe h TYR 843 N -0.88 -1.04 -0.45 2.96 5.03 -0.38 -2.04 116.97 120.17 2doe h TYR 843 Ca -0.04 0.04 0.09 0.00 2.58 0.00 0.00 58.73 61.41 2doe h TYR 843 Cb 0.79 0.47 -0.10 0.00 1.55 0.00 0.00 36.73 39.45 2doe h TYR 843 CO -0.27 -0.44 -0.24 0.82 -1.32 0.00 0.00 178.16 176.71 2doe h ILE 844 N -0.44 0.32 -0.91 1.81 1.08 -1.22 0.45 117.51 118.60 2doe h ILE 844 Ca 0.09 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.75 2doe h ILE 844 Cb 0.59 0.32 -0.11 0.00 -3.07 0.00 0.00 36.82 34.55 2doe h ILE 844 CO -0.38 0.00 0.46 -0.08 -0.69 0.00 0.00 178.15 177.47 2doe h GLU 845 N -0.15 0.53 -0.79 2.37 4.81 -0.46 0.16 114.58 121.05 2doe h GLU 845 Ca 0.21 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 2doe h GLU 845 Cb 0.48 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 2doe h GLU 845 CO -0.54 0.35 0.34 -0.22 -0.73 0.00 0.00 179.01 178.21 2doe h LYS 846 N 0.55 1.16 0.61 1.92 1.63 -0.27 0.27 116.57 122.44 2doe h LYS 846 Ca 0.54 -0.19 -0.03 0.00 -0.85 0.00 0.00 60.65 60.12 2doe h LYS 846 Cb 0.93 -0.20 0.01 0.00 -0.60 0.00 0.00 32.23 32.37 2doe h LYS 846 CO -0.45 0.92 -0.29 0.82 -3.45 0.00 0.00 179.45 177.00 2doe h ILE 847 N 1.14 0.00 -0.50 2.00 2.04 0.05 -3.02 117.51 119.22 2doe h ILE 847 Ca 0.27 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 66.02 2doe h ILE 847 Cb 0.18 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.22 2doe h ILE 847 CO -0.03 0.00 0.29 0.00 0.00 0.00 0.00 178.15 178.42 2doe h ALA 848 N -1.49 0.64 -0.39 1.87 0.00 -1.31 -2.84 119.26 115.74 2doe h ALA 848 Ca -0.08 -0.01 -0.50 0.00 0.00 0.00 0.00 54.91 54.32 2doe h ALA 848 Cb 0.63 -0.14 -0.12 0.00 0.00 0.00 0.00 17.79 18.16 2doe h ALA 848 CO 0.14 -0.01 1.00 1.17 0.00 0.00 0.00 179.25 181.55 2doe n LYS 849 N -4.81 2.93 -0.09 0.00 3.00 0.94 -4.21 118.16 115.93 2doe n LYS 849 Ca 0.03 -2.29 -0.15 0.00 -0.00 0.00 0.00 58.31 55.90 2doe n LYS 849 Cb 0.08 -2.28 -0.07 0.00 0.00 0.00 0.00 35.03 32.75 2doe n LYS 849 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2doe n ASN 850 N 1.67 2.05 0.07 3.14 2.85 -1.07 -4.53 115.26 119.44 2doe n ASN 850 Ca 0.53 0.05 0.13 0.00 -0.11 0.00 0.00 54.58 55.18 2doe n ASN 850 Cb 0.53 -0.38 0.33 0.00 1.24 0.00 0.00 39.78 41.51 2doe n ASN 850 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2doe n LEU 851 N -3.35 0.68 0.05 1.20 -0.00 -1.26 -3.91 117.00 110.41 2doe n LEU 851 Ca -0.32 0.41 -0.13 0.00 -0.00 0.00 0.00 56.01 55.97 2doe n LEU 851 Cb 0.78 -0.28 -0.09 0.00 -0.00 0.00 0.00 43.42 43.83 2doe n LEU 851 CO 0.10 -0.10 0.65 0.44 -0.00 0.00 0.00 177.39 178.48 2doe h ASP 852 N 0.00 -0.11 -3.27 1.45 5.19 -1.81 -3.40 116.42 114.48 2doe h ASP 852 Ca 0.00 -0.30 -0.55 0.00 -0.62 0.00 0.00 57.03 55.56 2doe h ASP 852 Cb 0.70 0.03 -0.07 0.00 0.18 0.00 0.00 39.33 40.17 2doe h ASP 852 CO 0.00 0.25 0.99 -0.44 -3.12 0.00 0.00 179.24 176.92 2doe s SER 853 N -5.41 6.44 1.25 6.45 0.01 -1.25 -5.01 113.70 116.18 2doe s SER 853 Ca -0.15 0.24 -0.19 0.00 1.31 0.00 0.00 55.95 57.17 2doe s SER 853 Cb 0.03 -2.55 0.30 0.00 0.21 0.00 0.00 66.02 64.01 2doe s SER 853 CO 0.63 -1.46 1.04 -0.94 0.41 0.00 0.00 173.24 172.92 2doe s SER 854 N 3.08 0.44 0.00 2.44 1.04 -1.26 -4.98 113.70 114.46 2doe s SER 854 Ca 0.46 0.87 0.00 0.00 0.48 0.00 0.00 55.95 57.77 2doe s SER 854 Cb -0.08 -1.28 0.00 0.00 0.10 0.00 0.00 66.02 64.76 2doe s SER 854 CO 0.27 -4.45 0.00 0.61 0.98 0.00 0.00 173.24 170.66 2doe n GLY 855 N 0.02 4.66 3.55 7.32 0.00 -1.26 -5.04 105.19 114.44 2doe n GLY 855 Ca 0.11 -1.23 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 2doe n GLY 855 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2doe s PRO 856 N -4.07 2.60 1.14 1.61 0.04 -1.26 -4.98 135.00 130.08 2doe s PRO 856 Ca 0.00 0.38 -0.17 0.00 0.04 0.00 0.00 61.00 61.25 2doe s PRO 856 Cb 0.00 -4.57 0.26 0.00 0.04 0.00 0.00 34.50 30.23 2doe s PRO 856 CO 0.00 -2.91 1.10 0.45 0.04 0.00 0.00 177.00 175.68 2doe s SER 857 N 8.11 1.45 -1.64 6.66 0.15 -1.26 -3.70 113.70 123.47 2doe s SER 857 Ca 0.68 0.84 -0.17 0.00 0.70 0.00 0.00 55.95 58.00 2doe s SER 857 Cb -0.11 -1.24 0.17 0.00 -1.71 0.00 0.00 66.02 63.12 2doe s SER 857 CO 0.15 -3.82 0.42 -0.24 1.20 0.00 0.00 173.24 170.96 2doe n SER 858 N -4.58 -1.10 0.00 5.45 2.88 -1.26 -5.33 113.62 109.68 2doe n SER 858 Ca 0.10 -1.13 0.00 0.00 -1.33 0.00 0.00 58.87 56.51 2doe n SER 858 Cb 0.59 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.60 2doe n SER 858 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42