#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 0.05 -0.76 1.61 0.15 -1.26 -4.92 113.70 108.57 2doe s SER 778 Ca 0.00 -0.04 -0.01 0.00 0.70 0.00 0.00 55.95 56.60 2doe s SER 778 Cb 0.00 0.00 0.38 0.00 -1.71 0.00 0.00 66.02 64.69 2doe s SER 778 CO 0.00 -0.02 1.90 -1.20 1.20 0.00 0.00 173.24 175.13 2doe n SER 779 N 2.97 7.18 0.00 5.45 7.64 -1.26 -4.54 113.62 131.06 2doe n SER 779 Ca -0.13 -3.82 0.00 0.00 1.01 0.00 0.00 58.87 55.94 2doe n SER 779 Cb 0.60 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 2doe n SER 779 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2doe n GLY 780 N -0.60 -1.62 2.69 0.23 0.00 -1.26 -5.14 105.19 99.48 2doe n GLY 780 Ca 0.54 0.74 -0.24 0.00 0.00 0.00 0.00 46.02 47.06 2doe n GLY 780 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2doe s SER 781 N 0.00 1.88 -0.15 1.61 1.04 -1.26 -5.12 113.70 111.69 2doe s SER 781 Ca 0.00 -0.30 -0.01 0.00 0.48 0.00 0.00 55.95 56.12 2doe s SER 781 Cb 0.00 -0.31 0.04 0.00 0.10 0.00 0.00 66.02 65.85 2doe s SER 781 CO 0.00 -0.28 -0.05 -0.94 0.98 0.00 0.00 173.24 172.95 2doe s SER 782 N 2.07 2.67 -0.51 7.02 1.04 -1.26 -4.84 113.70 119.89 2doe s SER 782 Ca 0.03 -0.58 -0.02 0.00 0.48 0.00 0.00 55.95 55.86 2doe s SER 782 Cb -0.14 -0.87 -0.02 0.00 0.10 0.00 0.00 66.02 65.09 2doe s SER 782 CO -0.06 -0.18 0.44 0.61 0.98 0.00 0.00 173.24 175.03 2doe n GLY 783 N 4.91 0.00 3.33 7.32 0.00 -1.26 -5.07 105.19 114.42 2doe n GLY 783 Ca -0.12 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 -4.01 0.47 -0.54 1.61 2.02 -1.26 -5.04 118.70 111.94 2doe s GLU 784 Ca 0.13 0.78 0.01 0.00 0.02 0.00 0.00 54.97 55.91 2doe s GLU 784 Cb -0.02 0.08 0.47 0.00 0.10 0.00 0.00 34.13 34.77 2doe s GLU 784 CO 0.34 -0.13 1.80 1.63 0.02 0.00 0.00 175.26 178.92 2doe n LYS 785 N 3.80 2.83 -4.05 1.61 4.01 -1.26 -4.91 118.16 120.19 2doe n LYS 785 Ca -0.20 -3.47 -0.32 0.00 -0.51 0.00 0.00 58.31 53.81 2doe n LYS 785 Cb 0.56 -2.25 -0.16 0.00 -0.51 0.00 0.00 35.03 32.67 2doe n LYS 785 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 2doe s GLU 786 N -3.70 2.31 -0.45 1.97 2.56 -1.26 -5.07 118.70 115.05 2doe s GLU 786 Ca 0.60 -1.05 0.04 0.00 0.00 0.00 0.00 54.97 54.55 2doe s GLU 786 Cb 0.48 -2.65 0.12 0.00 2.00 0.00 0.00 34.13 34.08 2doe s GLU 786 CO 0.01 -0.45 0.18 -0.51 -0.56 0.00 0.00 175.26 173.94 2doe s ASP 787 N 1.25 4.53 -0.10 -1.70 1.01 -1.26 -4.94 116.67 115.46 2doe s ASP 787 Ca -0.03 -2.66 -0.18 0.00 0.71 0.00 0.00 52.55 50.39 2doe s ASP 787 Cb -0.17 -1.64 -0.27 0.00 1.01 0.00 0.00 42.92 41.84 2doe s ASP 787 CO -0.08 -0.30 0.60 0.28 0.21 0.00 0.00 175.17 175.88 2doe h SER 788 N 6.97 0.34 -0.87 0.27 0.02 -1.99 -3.37 113.55 114.93 2doe h SER 788 Ca -0.06 -0.85 0.20 0.00 -0.84 0.00 0.00 61.79 60.23 2doe h SER 788 Cb 0.95 -0.11 -0.16 0.00 0.14 0.00 0.00 62.40 63.21 2doe h SER 788 CO 0.62 1.54 -0.13 0.29 -1.14 0.00 0.00 176.83 178.01 2doe n LYS 789 N -4.03 -0.07 -3.70 3.45 4.76 -1.26 -4.06 118.16 113.24 2doe n LYS 789 Ca -0.23 1.33 -0.21 0.00 -2.87 0.00 0.00 58.31 56.33 2doe n LYS 789 Cb 0.85 -2.04 -0.18 0.00 -1.84 0.00 0.00 35.03 31.82 2doe n LYS 789 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2doe s THR 790 N -6.00 0.05 0.05 -0.18 -1.32 -1.26 -5.01 115.64 101.98 2doe s THR 790 Ca -0.12 0.28 0.00 0.00 -1.21 0.00 0.00 61.69 60.64 2doe s THR 790 Cb 0.24 -0.31 0.00 0.00 -1.51 0.00 0.00 72.50 70.92 2doe s THR 790 CO 0.68 0.17 0.00 -1.14 -2.21 0.00 0.00 174.62 172.11 2doe n ARG 791 N 5.25 0.00 0.02 7.08 3.00 -1.26 -4.58 116.66 126.17 2doe n ARG 791 Ca -0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.70 2doe n ARG 791 Cb 0.50 -0.44 -0.04 0.00 0.00 0.00 0.00 32.46 32.47 2doe n ARG 791 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2doe h GLY 792 N 0.00 -0.04 0.78 5.14 0.00 -1.94 -2.21 103.07 104.80 2doe h GLY 792 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2doe h GLY 792 CO 0.00 -0.10 -0.18 0.83 0.00 0.00 0.00 176.54 177.09 2doe h GLU 793 N -0.12 -0.38 -0.65 4.80 5.08 -1.99 -2.16 114.58 119.16 2doe h GLU 793 Ca 0.06 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.57 2doe h GLU 793 Cb 0.20 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 29.41 2doe h GLU 793 CO -0.14 -0.26 -0.23 -0.22 -1.00 0.00 0.00 179.01 177.16 2doe h LYS 794 N -0.40 -0.06 -0.29 2.33 3.64 -1.77 0.26 116.57 120.29 2doe h LYS 794 Ca 0.00 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 2doe h LYS 794 Cb 0.38 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 2doe h LYS 794 CO -0.05 -0.04 0.04 0.82 -2.27 0.00 0.00 179.45 177.95 2doe h ILE 795 N -0.06 0.84 0.08 2.00 2.04 -1.13 0.21 117.51 121.49 2doe h ILE 795 Ca 0.30 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 66.13 2doe h ILE 795 Cb 0.52 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 2doe h ILE 795 CO -0.70 0.02 -0.28 0.50 0.00 0.00 0.00 178.15 177.69 2doe h LYS 796 N 0.14 -0.46 0.41 2.37 3.64 -0.37 0.22 116.57 122.52 2doe h LYS 796 Ca 0.14 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2doe h LYS 796 Cb 0.16 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 2doe h LYS 796 CO -0.20 -0.30 -0.35 1.03 -2.27 0.00 0.00 179.45 177.36 2doe h SER 797 N -0.47 -0.92 -0.70 4.20 0.87 -0.82 -2.32 113.55 113.38 2doe h SER 797 Ca 0.04 0.07 0.13 0.00 -1.23 0.00 0.00 61.79 60.80 2doe h SER 797 Cb 0.52 0.30 -0.09 0.00 -0.44 0.00 0.00 62.40 62.69 2doe h SER 797 CO -0.19 -0.50 0.25 0.44 -0.53 0.00 0.00 176.83 176.30 2doe h ASP 798 N -0.76 0.21 -0.20 6.23 5.19 -0.80 -1.79 116.42 124.50 2doe h ASP 798 Ca -0.03 0.11 0.06 0.00 -0.62 0.00 0.00 57.03 56.54 2doe h ASP 798 Cb 0.66 0.10 -0.07 0.00 0.18 0.00 0.00 39.33 40.21 2doe h ASP 798 CO -0.03 0.08 -0.25 0.15 -3.12 0.00 0.00 179.24 176.08 2doe h PHE 799 N 0.40 -0.68 -0.14 4.55 3.57 -0.18 -2.25 116.94 122.21 2doe h PHE 799 Ca 0.38 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.96 2doe h PHE 799 Cb 0.56 0.33 -0.06 0.00 2.79 0.00 0.00 35.95 39.58 2doe h PHE 799 CO -0.19 -0.33 -0.22 0.74 -2.23 0.00 0.00 178.31 176.09 2doe h PHE 800 N -0.29 -0.57 -0.69 0.41 0.04 -0.81 -2.17 116.94 112.86 2doe h PHE 800 Ca 0.12 0.03 0.13 0.00 2.80 0.00 0.00 57.97 61.05 2doe h PHE 800 Cb 0.47 0.27 -0.13 0.00 2.20 0.00 0.00 35.95 38.76 2doe h PHE 800 CO -0.38 -0.30 -0.25 0.93 -0.60 0.00 0.00 178.31 177.71 2doe h GLU 801 N -0.27 -0.06 0.31 1.51 4.39 -0.91 -0.42 114.58 119.13 2doe h GLU 801 Ca 0.10 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 2doe h GLU 801 Cb 0.42 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 2doe h GLU 801 CO -0.30 -0.04 -0.31 1.25 -1.16 0.00 0.00 179.01 178.46 2doe h LEU 802 N -0.06 -0.84 -0.45 1.33 5.85 -0.85 -0.41 115.31 119.88 2doe h LEU 802 Ca 0.31 0.07 0.05 0.00 0.84 0.00 0.00 57.88 59.14 2doe h LEU 802 Cb 0.55 0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.79 2doe h LEU 802 CO -0.74 -0.41 -0.39 -0.07 -0.34 0.00 0.00 178.44 176.49 2doe h LEU 803 N -0.62 -1.37 -0.73 2.25 3.38 -0.85 0.26 115.31 117.63 2doe h LEU 803 Ca -0.04 0.19 0.16 0.00 0.09 0.00 0.00 57.88 58.29 2doe h LEU 803 Cb 0.53 0.58 -0.13 0.00 0.09 0.00 0.00 40.66 41.74 2doe h LEU 803 CO -0.03 -0.23 -0.02 -1.28 0.09 0.00 0.00 178.44 176.97 2doe h SER 804 N -0.16 -0.38 -0.57 -0.43 0.87 -1.06 0.72 113.55 112.53 2doe h SER 804 Ca 0.07 0.19 0.17 0.00 -1.23 0.00 0.00 61.79 60.99 2doe h SER 804 Cb 0.36 0.35 -0.02 0.00 -0.44 0.00 0.00 62.40 62.64 2doe h SER 804 CO -0.51 -0.18 0.42 0.78 -0.53 0.00 0.00 176.83 176.81 2doe h ASN 805 N 0.09 0.00 -0.04 6.23 2.35 0.80 -1.33 115.58 123.67 2doe h ASN 805 Ca 0.39 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.12 2doe h ASN 805 Cb 0.67 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 2doe h ASN 805 CO -0.66 0.00 0.03 1.41 -1.65 0.00 0.00 177.43 176.57 2doe n HIS 806 N -4.32 0.13 -3.72 1.19 8.25 0.25 -4.81 115.22 112.20 2doe n HIS 806 Ca 0.11 -1.00 -0.22 0.00 -0.26 0.00 0.00 57.72 56.36 2doe n HIS 806 Cb 0.66 -0.50 -0.02 0.00 1.12 0.00 0.00 29.99 31.25 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 1.24 -0.72 -0.92 4.41 8.25 -0.50 -4.77 115.22 122.21 2doe n HIS 807 Ca 0.03 0.18 -0.36 0.00 -0.26 0.00 0.00 57.72 57.31 2doe n HIS 807 Cb 0.51 -1.53 0.07 0.00 1.12 0.00 0.00 29.99 30.16 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 -3.11 -3.63 -4.10 2.41 4.77 -1.24 -5.02 117.00 107.09 2doe n LEU 808 Ca -0.12 0.09 -0.12 0.00 -0.03 0.00 0.00 56.01 55.83 2doe n LEU 808 Cb 0.35 -0.76 -0.07 0.00 -2.33 0.00 0.00 43.42 40.61 2doe n LEU 808 CO 0.44 -4.05 0.01 1.51 -1.33 0.00 0.00 177.39 173.97 2doe s ASP 809 N -1.27 0.30 0.06 -1.43 1.47 -1.26 -5.04 116.67 109.49 2doe s ASP 809 Ca 0.43 -1.25 -0.20 0.00 1.18 0.00 0.00 52.55 52.72 2doe s ASP 809 Cb -0.08 0.53 -0.11 0.00 -0.34 0.00 0.00 42.92 42.92 2doe s ASP 809 CO 0.72 -1.07 1.44 0.77 0.68 0.00 0.00 175.17 177.72 2doe h SER 810 N 2.34 0.39 -0.54 2.11 4.64 -1.95 -2.95 113.55 117.60 2doe h SER 810 Ca -0.30 -0.39 -0.27 0.00 -0.47 0.00 0.00 61.79 60.36 2doe h SER 810 Cb 1.25 -0.11 -0.16 0.00 -0.31 0.00 0.00 62.40 63.07 2doe h SER 810 CO 0.42 0.69 0.35 1.67 -0.87 0.00 0.00 176.83 179.08 2doe n GLN 811 N -4.61 1.73 -2.00 4.77 7.27 -1.26 -4.92 117.38 118.36 2doe n GLN 811 Ca -0.05 -1.64 -0.42 0.00 0.07 0.00 0.00 57.00 54.96 2doe n GLN 811 Cb 0.29 -1.65 -0.03 0.00 2.41 0.00 0.00 30.24 31.27 2doe n GLN 811 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2doe s SER 812 N -0.26 6.66 -0.01 1.69 0.15 -1.12 -4.98 113.70 115.85 2doe s SER 812 Ca 0.31 2.25 -0.21 0.00 0.70 0.00 0.00 55.95 59.00 2doe s SER 812 Cb 0.26 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.98 2doe s SER 812 CO 0.06 -0.92 0.62 -0.13 1.20 0.00 0.00 173.24 174.07 2doe s ARG 813 N 3.99 4.35 0.07 5.44 1.81 -1.26 -4.99 118.95 128.35 2doe s ARG 813 Ca 0.74 0.78 -0.32 0.00 -1.72 0.00 0.00 55.73 55.20 2doe s ARG 813 Cb -0.34 -3.36 -0.18 0.00 -0.45 0.00 0.00 34.95 30.63 2doe s ARG 813 CO 0.30 0.33 1.63 2.35 -0.68 0.00 0.00 175.30 179.23 2doe h TRP 814 N 5.76 -0.81 -0.93 -0.53 -0.00 -1.98 -0.20 115.95 117.26 2doe h TRP 814 Ca -0.45 -0.02 0.27 0.00 -0.00 0.00 0.00 58.89 58.70 2doe h TRP 814 Cb 1.20 0.28 -0.16 0.00 -0.00 0.00 0.00 29.16 30.48 2doe h TRP 814 CO 0.65 -0.50 0.22 0.77 -0.00 0.00 0.00 178.44 179.59 2doe h SER 815 N -0.85 -0.09 0.29 2.65 0.02 -1.98 0.57 113.55 114.15 2doe h SER 815 Ca -0.08 0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2doe h SER 815 Cb 0.66 0.33 0.00 0.00 0.14 0.00 0.00 62.40 63.53 2doe h SER 815 CO 0.12 -0.25 -0.14 0.11 -1.14 0.00 0.00 176.83 175.53 2doe h LYS 816 N 0.13 -0.37 -0.93 3.45 1.79 -1.91 -2.27 116.57 116.45 2doe h LYS 816 Ca 0.61 0.03 0.27 0.00 -2.18 0.00 0.00 60.65 59.37 2doe h LYS 816 Cb 1.30 0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 31.99 2doe h LYS 816 CO -0.75 -0.25 0.81 -0.24 -1.08 0.00 0.00 179.45 177.95 2doe h VAL 817 N -0.68 0.30 -0.01 0.50 3.04 -0.34 0.20 116.25 119.26 2doe h VAL 817 Ca -0.04 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.61 2doe h VAL 817 Cb 0.30 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 29.97 2doe h VAL 817 CO 0.06 0.00 -0.13 0.50 -1.01 0.00 0.00 177.57 176.99 2doe h LYS 818 N 0.00 0.12 0.00 4.17 3.64 0.13 -1.00 116.57 123.63 2doe h LYS 818 Ca 0.44 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 2doe h LYS 818 Cb 2.07 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.91 2doe h LYS 818 CO -0.00 0.80 0.00 -3.47 -2.27 0.00 0.00 179.45 174.51 2doe n ASP 819 N -4.62 0.62 -0.02 4.20 2.03 0.54 0.08 116.55 119.38 2doe n ASP 819 Ca -0.09 0.67 -0.20 0.00 0.52 0.00 0.00 54.79 55.68 2doe n ASP 819 Cb 0.42 -0.79 -0.14 0.00 -0.72 0.00 0.00 41.12 39.89 2doe n ASP 819 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2doe n LYS 820 N -2.20 0.74 0.05 -0.67 4.76 -0.19 -4.32 118.16 116.33 2doe n LYS 820 Ca 0.02 0.24 -0.05 0.00 -2.87 0.00 0.00 58.31 55.64 2doe n LYS 820 Cb 0.20 -1.68 -0.10 0.00 -1.84 0.00 0.00 35.03 31.62 2doe n LYS 820 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 2doe h VAL 821 N 0.06 1.28 -1.08 -0.18 -1.51 -0.97 -3.31 116.25 110.54 2doe h VAL 821 Ca -0.45 -2.96 0.29 0.00 -1.23 0.00 0.00 66.70 62.35 2doe h VAL 821 Cb 2.01 2.62 -0.09 0.00 -2.13 0.00 0.00 31.29 33.70 2doe h VAL 821 CO 0.06 0.73 0.71 1.05 -1.23 0.00 0.00 177.57 178.89 2doe h GLU 822 N 0.00 0.29 -0.70 5.19 4.11 -0.55 0.47 114.58 123.39 2doe h GLU 822 Ca -0.09 -0.02 0.19 0.00 0.07 0.00 0.00 59.36 59.52 2doe h GLU 822 Cb 1.76 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.91 2doe h GLU 822 CO 0.10 0.19 0.50 1.03 0.07 0.00 0.00 179.01 180.90 2doe h SER 823 N 0.29 0.04 -3.32 3.06 0.87 -1.77 -3.40 113.55 109.32 2doe h SER 823 Ca 0.60 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.61 2doe h SER 823 Cb 1.72 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 63.63 2doe h SER 823 CO -0.25 0.02 0.02 -0.62 -0.53 0.00 0.00 176.83 175.47 2doe s ASP 824 N -5.96 7.14 0.52 6.23 -1.08 0.16 -4.97 116.67 118.72 2doe s ASP 824 Ca -0.05 1.36 0.33 0.00 -0.52 0.00 0.00 52.55 53.67 2doe s ASP 824 Cb 0.21 -2.40 1.36 0.00 -1.46 0.00 0.00 42.92 40.63 2doe s ASP 824 CO 0.75 0.24 1.96 1.55 0.52 0.00 0.00 175.17 180.20 2doe h PRO 825 N 4.40 0.00 -0.16 4.34 0.13 -1.84 -2.91 132.00 135.97 2doe h PRO 825 Ca -0.49 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.57 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 0.64 0.00 -0.22 0.00 -0.23 0.00 0.00 178.00 178.19 2doe h ARG 826 N 0.00 0.27 0.00 0.86 3.08 -1.92 -1.92 114.38 114.75 2doe h ARG 826 Ca 0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2doe h ARG 826 Cb 0.47 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2doe h ARG 826 CO 0.00 0.49 0.00 -0.92 -1.07 0.00 0.00 179.97 178.47 2doe h TYR 827 N 0.25 0.00 0.00 3.04 5.03 -1.76 -2.15 116.97 121.39 2doe h TYR 827 Ca 0.04 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.35 2doe h TYR 827 Cb 0.54 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.82 2doe h TYR 827 CO 0.01 0.00 -0.27 1.63 -1.32 0.00 0.00 178.16 178.21 2doe n LYS 828 N -2.32 0.03 -0.21 1.82 5.02 -0.72 -3.81 118.16 117.96 2doe n LYS 828 Ca 0.02 0.01 -0.09 0.00 -2.02 0.00 0.00 58.31 56.24 2doe n LYS 828 Cb 0.25 -1.52 0.03 0.00 -0.02 0.00 0.00 35.03 33.76 2doe n LYS 828 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2doe h ALA 829 N 2.95 0.81 -1.47 7.82 0.00 -1.43 -3.39 119.26 124.55 2doe h ALA 829 Ca 0.00 -0.30 -0.54 0.00 0.00 0.00 0.00 54.91 54.08 2doe h ALA 829 Cb 0.52 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 2doe h ALA 829 CO 0.00 0.63 1.11 0.08 0.00 0.00 0.00 179.25 181.07 2doe s VAL 830 N -5.08 3.71 0.06 0.00 1.01 -1.25 -4.85 120.40 114.00 2doe s VAL 830 Ca -0.12 0.51 -0.15 0.00 0.00 0.00 0.00 61.98 62.22 2doe s VAL 830 Cb 0.13 -4.60 -0.26 0.00 0.00 0.00 0.00 36.38 31.65 2doe s VAL 830 CO 0.85 -1.45 1.15 -0.78 0.00 0.00 0.00 175.10 174.86 2doe h ASP 831 N 11.05 0.88 -2.88 3.32 3.58 -1.90 -3.44 116.42 127.03 2doe h ASP 831 Ca -0.27 -0.77 -0.56 0.00 0.42 0.00 0.00 57.03 55.84 2doe h ASP 831 Cb 1.08 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.82 2doe h ASP 831 CO 1.23 1.55 1.00 -0.44 -2.88 0.00 0.00 179.24 179.71 2doe s SER 832 N -7.31 6.69 0.22 2.28 0.01 -1.26 -4.90 113.70 109.43 2doe s SER 832 Ca -0.10 1.64 -0.08 0.00 1.31 0.00 0.00 55.95 58.72 2doe s SER 832 Cb 0.06 -2.54 0.19 0.00 0.21 0.00 0.00 66.02 63.95 2doe s SER 832 CO 0.92 -0.99 1.86 0.77 0.41 0.00 0.00 173.24 176.22 2doe h SER 833 N 9.30 1.05 -0.71 2.44 4.64 -2.02 -2.13 113.55 126.12 2doe h SER 833 Ca -0.30 -0.08 0.11 0.00 -0.47 0.00 0.00 61.79 61.05 2doe h SER 833 Cb 1.13 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 62.90 2doe h SER 833 CO 0.99 0.82 0.47 0.77 -0.87 0.00 0.00 176.83 179.02 2doe h SER 834 N 1.19 0.50 -0.45 4.97 4.64 -1.98 -1.30 113.55 121.12 2doe h SER 834 Ca 0.31 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.62 2doe h SER 834 Cb -0.02 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 2doe h SER 834 CO -0.05 0.29 0.20 0.24 -0.87 0.00 0.00 176.83 176.64 2doe h MET 835 N 0.55 0.66 0.50 4.77 2.07 -1.78 0.10 114.93 121.80 2doe h MET 835 Ca 0.33 -0.10 -0.02 0.00 -2.07 0.00 0.00 59.70 57.83 2doe h MET 835 Cb 0.55 -0.11 0.00 0.00 -1.87 0.00 0.00 31.60 30.18 2doe h MET 835 CO -0.11 0.57 -0.24 0.00 1.07 0.00 0.00 176.91 178.20 2doe h ARG 836 N 0.58 -0.65 -0.15 1.72 3.08 -1.23 0.28 114.38 118.01 2doe h ARG 836 Ca 0.15 0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.28 2doe h ARG 836 Cb 0.15 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 2doe h ARG 836 CO -0.02 -0.37 -0.05 0.93 -1.07 0.00 0.00 179.97 179.39 2doe h GLU 837 N -0.85 -0.03 0.93 0.04 3.07 -1.36 0.17 114.58 116.55 2doe h GLU 837 Ca -0.07 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.75 2doe h GLU 837 Cb 0.59 0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.51 2doe h GLU 837 CO 0.11 -0.02 -0.45 0.22 -1.40 0.00 0.00 179.01 177.48 2doe h ASP 838 N -0.03 -1.06 -0.12 1.42 3.58 -0.79 0.15 116.42 119.57 2doe h ASP 838 Ca 0.08 0.03 0.04 0.00 0.42 0.00 0.00 57.03 57.60 2doe h ASP 838 Cb 0.14 0.27 -0.06 0.00 1.72 0.00 0.00 39.33 41.40 2doe h ASP 838 CO -0.17 -0.74 -0.41 -0.07 -2.88 0.00 0.00 179.24 174.97 2doe h LEU 839 N -1.29 -1.29 0.49 2.28 3.38 -0.37 0.27 115.31 118.79 2doe h LEU 839 Ca -0.13 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2doe h LEU 839 Cb 0.96 0.52 -0.02 0.00 0.09 0.00 0.00 40.66 42.21 2doe h LEU 839 CO 0.21 -0.43 -0.51 0.15 0.09 0.00 0.00 178.44 177.96 2doe h PHE 840 N -0.49 -1.40 -0.92 1.13 3.57 -0.66 -1.90 116.94 116.26 2doe h PHE 840 Ca 0.07 0.01 0.22 0.00 3.53 0.00 0.00 57.97 61.80 2doe h PHE 840 Cb 0.62 0.55 -0.12 0.00 2.79 0.00 0.00 35.95 39.79 2doe h PHE 840 CO -0.47 -0.67 0.46 0.87 -2.23 0.00 0.00 178.31 176.27 2doe h LYS 841 N -1.00 0.48 0.16 1.11 1.57 -0.44 -0.79 116.57 117.66 2doe h LYS 841 Ca -0.06 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2doe h LYS 841 Cb 0.87 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 2doe h LYS 841 CO -0.07 0.32 -0.21 1.96 -0.57 0.00 0.00 179.45 180.87 2doe h GLN 842 N 0.49 -0.41 0.24 3.15 4.20 0.13 0.12 115.11 123.02 2doe h GLN 842 Ca 0.57 0.03 0.01 0.00 0.06 0.00 0.00 58.65 59.32 2doe h GLN 842 Cb 1.05 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.90 2doe h GLN 842 CO -0.49 -0.28 -0.36 -0.92 -0.67 0.00 0.00 178.83 176.11 2doe h TYR 843 N -0.43 -0.99 -0.35 2.96 5.03 -0.41 -2.16 116.97 120.63 2doe h TYR 843 Ca 0.01 0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.41 2doe h TYR 843 Cb 0.43 0.40 -0.06 0.00 1.55 0.00 0.00 36.73 39.05 2doe h TYR 843 CO -0.18 -0.49 -0.08 0.82 -1.32 0.00 0.00 178.16 176.91 2doe h ILE 844 N -0.67 0.66 -0.79 1.81 1.08 -1.22 -1.52 117.51 116.87 2doe h ILE 844 Ca 0.00 -0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.65 2doe h ILE 844 Cb 0.65 0.65 -0.12 0.00 -3.07 0.00 0.00 36.82 34.93 2doe h ILE 844 CO -0.14 0.00 0.20 -0.08 -0.69 0.00 0.00 178.15 177.44 2doe h GLU 845 N 0.01 0.25 -0.48 2.37 4.22 -0.43 0.73 114.58 121.25 2doe h GLU 845 Ca 0.17 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.58 2doe h GLU 845 Cb 0.25 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2doe h GLU 845 CO -0.35 0.17 0.24 -0.22 -2.18 0.00 0.00 179.01 176.67 2doe h LYS 846 N 0.26 0.68 0.34 1.92 3.64 -0.65 -1.19 116.57 121.57 2doe h LYS 846 Ca 0.46 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.73 2doe h LYS 846 Cb 0.82 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2doe h LYS 846 CO -0.55 0.56 -0.26 0.82 -2.27 0.00 0.00 179.45 177.75 2doe h ILE 847 N 0.63 0.00 -0.66 2.00 2.04 -0.28 0.13 117.51 121.37 2doe h ILE 847 Ca 0.17 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.16 2doe h ILE 847 Cb 0.09 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.07 2doe h ILE 847 CO -0.02 0.00 0.13 0.00 0.00 0.00 0.00 178.15 178.25 2doe h ALA 848 N -1.43 0.79 -0.00 1.87 0.00 -1.30 -1.78 119.26 117.41 2doe h ALA 848 Ca -0.05 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2doe h ALA 848 Cb 0.48 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2doe h ALA 848 CO 0.01 -0.33 -0.21 -0.22 0.00 0.00 0.00 179.25 178.50 2doe h LYS 849 N 0.24 -0.33 -5.60 0.00 1.63 -1.05 -3.29 116.57 108.17 2doe h LYS 849 Ca 0.36 0.02 -0.67 0.00 -0.85 0.00 0.00 60.65 59.51 2doe h LYS 849 Cb 0.58 0.07 -0.12 0.00 -0.60 0.00 0.00 32.23 32.16 2doe h LYS 849 CO -0.47 -0.22 1.66 1.21 -3.45 0.00 0.00 179.45 178.19 2doe s ASN 850 N -4.93 6.76 0.30 4.20 2.47 0.02 -4.99 114.94 118.78 2doe s ASN 850 Ca -0.15 -2.22 -0.29 0.00 0.42 0.00 0.00 52.86 50.61 2doe s ASN 850 Cb 0.09 -2.52 -0.10 0.00 -1.45 0.00 0.00 41.25 37.27 2doe s ASN 850 CO 0.66 -1.17 1.41 -0.76 -3.72 0.00 0.00 177.10 173.52 2doe s LEU 851 N 3.72 4.39 -0.16 3.21 1.43 -1.24 -4.84 118.68 125.18 2doe s LEU 851 Ca 0.47 2.76 -0.13 0.00 -1.03 0.00 0.00 54.13 56.19 2doe s LEU 851 Cb 0.00 -3.64 -0.10 0.00 0.03 0.00 0.00 46.19 42.49 2doe s LEU 851 CO -0.01 -0.68 0.05 -2.24 0.23 0.00 0.00 176.35 173.70 2doe h ASP 852 N 4.06 0.00 -3.12 2.29 2.03 -1.92 -3.47 116.42 116.28 2doe h ASP 852 Ca -0.48 -0.24 -0.56 0.00 -0.73 0.00 0.00 57.03 55.01 2doe h ASP 852 Cb 1.22 0.00 0.19 0.00 -0.83 0.00 0.00 39.33 39.91 2doe h ASP 852 CO 0.71 0.98 -0.47 -0.24 -1.03 0.00 0.00 179.24 179.19 2doe n SER 853 N -4.58 -1.42 -3.61 4.15 2.88 -1.26 -5.02 113.62 104.76 2doe n SER 853 Ca -0.14 0.59 -0.05 0.00 -1.33 0.00 0.00 58.87 57.94 2doe n SER 853 Cb 0.38 -1.19 -0.07 0.00 -0.75 0.00 0.00 64.21 62.58 2doe n SER 853 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2doe s SER 854 N -1.43 -0.62 0.00 -3.46 0.01 -1.26 -5.10 113.70 101.85 2doe s SER 854 Ca 0.65 1.16 0.00 0.00 1.31 0.00 0.00 55.95 59.07 2doe s SER 854 Cb -0.36 1.74 0.00 0.00 0.21 0.00 0.00 66.02 67.61 2doe s SER 854 CO 0.59 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.62 2doe n GLY 855 N 5.41 -0.27 3.71 3.44 0.00 -1.26 -5.16 105.19 111.06 2doe n GLY 855 Ca -0.09 0.52 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 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 1.25 1.06 0.30 1.61 0.04 -1.26 -4.95 135.00 133.06 2doe s PRO 856 Ca 0.00 0.75 -0.29 0.00 0.04 0.00 0.00 61.00 61.50 2doe s PRO 856 Cb 0.00 -1.79 -0.12 0.00 0.04 0.00 0.00 34.50 32.62 2doe s PRO 856 CO 0.00 -2.36 1.41 0.43 0.04 0.00 0.00 177.00 176.52 2doe n SER 857 N -3.95 3.06 -4.61 6.66 7.64 -1.26 -4.95 113.62 116.20 2doe n SER 857 Ca 0.07 1.18 -0.39 0.00 1.01 0.00 0.00 58.87 60.73 2doe n SER 857 Cb 0.56 -1.50 -0.08 0.00 -1.01 0.00 0.00 64.21 62.17 2doe n SER 857 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2doe s SER 858 N 0.06 6.34 0.00 6.43 1.04 -1.26 -5.25 113.70 121.06 2doe s SER 858 Ca 0.61 0.40 0.00 0.00 0.48 0.00 0.00 55.95 57.44 2doe s SER 858 Cb -0.57 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.30 2doe s SER 858 CO 0.56 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.16