#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ii8 n GLU 710 N 0.00 0.00 -0.32 -0.14 4.07 -1.26 -1.99 120.64 121.00 1ii8 n GLU 710 Ca 0.00 0.41 0.14 0.00 -0.06 0.00 0.00 57.16 57.65 1ii8 n GLU 710 Cb 0.00 -1.20 0.30 0.00 -0.06 0.00 0.00 31.44 30.48 1ii8 n GLU 710 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 1ii8 h ARG 711 N 0.00 0.08 0.00 5.31 1.12 -2.06 0.71 114.38 119.53 1ii8 h ARG 711 Ca 0.00 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1ii8 h ARG 711 Cb 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 29.94 1ii8 h ARG 711 CO 0.00 0.05 0.00 0.28 -3.11 0.00 0.00 179.97 177.19 1ii8 h VAL 712 N 0.08 0.00 -0.02 0.20 2.07 -1.99 -2.78 116.25 113.81 1ii8 h VAL 712 Ca 0.58 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.71 1ii8 h VAL 712 Cb 1.22 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1ii8 h VAL 712 CO -0.80 0.00 -0.19 0.50 0.02 0.00 0.00 177.57 177.10 1ii8 h LYS 713 N 0.00 0.17 -0.47 1.57 3.11 0.11 -3.33 116.57 117.73 1ii8 h LYS 713 Ca 0.00 -0.15 -0.13 0.00 -2.81 0.00 0.00 60.65 57.56 1ii8 h LYS 713 Cb 0.38 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.63 1ii8 h LYS 713 CO 0.00 0.84 -0.21 0.87 -2.81 0.00 0.00 179.45 178.13 1ii8 h LYS 714 N -0.46 0.97 -0.05 1.90 1.79 -1.38 -2.55 116.57 116.79 1ii8 h LYS 714 Ca -0.02 -0.42 0.01 0.00 -2.18 0.00 0.00 60.65 58.05 1ii8 h LYS 714 Cb 0.88 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.50 1ii8 h LYS 714 CO 0.04 1.09 0.22 1.49 -1.08 0.00 0.00 179.45 181.20 1ii8 h GLU 715 N 0.82 0.00 0.07 3.15 4.57 -1.64 0.78 114.58 122.33 1ii8 h GLU 715 Ca 0.11 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 58.01 1ii8 h GLU 715 Cb 0.79 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.40 1ii8 h GLU 715 CO 0.07 0.00 -1.13 0.82 -1.18 0.00 0.00 179.01 177.58 1ii8 h ILE 716 N 0.00 1.34 0.34 2.32 2.04 -1.56 -1.28 117.51 120.71 1ii8 h ILE 716 Ca 0.02 -2.51 -0.02 0.00 1.00 0.00 0.00 64.86 63.36 1ii8 h ILE 716 Cb 0.46 2.61 0.00 0.00 -0.74 0.00 0.00 36.82 39.15 1ii8 h ILE 716 CO -0.00 0.76 -0.16 0.50 0.00 0.00 0.00 178.15 179.24 1ii8 h LYS 717 N 0.25 -0.44 -0.67 2.37 3.64 0.49 -0.65 116.57 121.56 1ii8 h LYS 717 Ca -0.14 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.41 1ii8 h LYS 717 Cb 1.80 0.10 -0.12 0.00 -0.41 0.00 0.00 32.23 33.60 1ii8 h LYS 717 CO 0.21 -0.11 -0.03 -0.44 -2.27 0.00 0.00 179.45 176.81 1ii8 h ASP 718 N -0.86 -0.36 -0.42 4.20 3.45 -1.04 0.66 116.42 122.05 1ii8 h ASP 718 Ca -0.05 0.18 0.06 0.00 0.43 0.00 0.00 57.03 57.65 1ii8 h ASP 718 Cb 0.53 0.32 -0.05 0.00 -0.56 0.00 0.00 39.33 39.57 1ii8 h ASP 718 CO 0.08 -0.16 0.10 0.25 -1.57 0.00 0.00 179.24 177.94 1ii8 h LEU 719 N 0.09 0.05 -0.45 1.55 5.85 -1.13 -2.05 115.31 119.21 1ii8 h LEU 719 Ca 0.35 0.07 0.03 0.00 0.84 0.00 0.00 57.88 59.17 1ii8 h LEU 719 Cb 0.59 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 1ii8 h LEU 719 CO -0.61 0.06 0.23 -0.08 -0.34 0.00 0.00 178.44 177.71 1ii8 h GLU 720 N 0.24 0.45 0.26 1.25 4.57 0.18 -0.60 114.58 120.94 1ii8 h GLU 720 Ca 0.20 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.34 1ii8 h GLU 720 Cb 0.24 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1ii8 h GLU 720 CO -0.25 0.30 -0.13 0.87 -1.18 0.00 0.00 179.01 178.62 1ii8 h LYS 721 N 0.47 -0.34 -0.90 1.92 1.57 -0.62 -2.50 116.57 116.18 1ii8 h LYS 721 Ca 0.19 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.15 1ii8 h LYS 721 Cb 0.09 0.08 -0.10 0.00 0.08 0.00 0.00 32.23 32.38 1ii8 h LYS 721 CO -0.13 -0.20 0.49 0.00 -0.57 0.00 0.00 179.45 179.04 1ii8 h ALA 722 N 0.35 1.38 -0.84 3.86 0.00 -1.14 0.73 119.26 123.60 1ii8 h ALA 722 Ca -0.04 0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.07 1ii8 h ALA 722 Cb 0.29 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1ii8 h ALA 722 CO 0.06 -0.04 0.54 -0.22 0.00 0.00 0.00 179.25 179.59 1ii8 h LYS 723 N 0.69 0.69 -0.64 0.00 3.64 -0.72 0.70 116.57 120.93 1ii8 h LYS 723 Ca 0.49 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.80 1ii8 h LYS 723 Cb 0.68 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 1ii8 h LYS 723 CO -0.35 0.45 0.28 -0.44 -2.27 0.00 0.00 179.45 177.12 1ii8 h ASP 724 N 0.71 0.86 0.44 4.20 3.45 0.90 -1.15 116.42 125.82 1ii8 h ASP 724 Ca 0.40 -0.15 -0.31 0.00 0.43 0.00 0.00 57.03 57.40 1ii8 h ASP 724 Cb 0.57 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 39.11 1ii8 h ASP 724 CO -0.17 0.77 -1.60 2.19 -1.57 0.00 0.00 179.24 178.86 1ii8 h PHE 725 N 0.89 0.36 0.00 4.55 -5.15 -1.10 -1.52 116.94 114.98 1ii8 h PHE 725 Ca 0.22 -0.26 -0.01 0.00 -0.20 0.00 0.00 57.97 57.72 1ii8 h PHE 725 Cb 0.16 -0.01 -0.00 0.00 0.22 0.00 0.00 35.95 36.32 1ii8 h PHE 725 CO 0.01 1.36 -0.03 1.15 -2.00 0.00 0.00 178.31 178.80 1ii8 h THR 726 N 0.05 0.31 0.17 0.88 2.02 -0.91 0.53 112.91 115.96 1ii8 h THR 726 Ca -0.27 -0.18 -0.36 0.00 0.77 0.00 0.00 66.41 66.38 1ii8 h THR 726 Cb 2.01 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 69.55 1ii8 h THR 726 CO 0.14 0.03 -1.82 1.05 0.37 0.00 0.00 175.52 175.28 1ii8 h GLU 727 N 0.00 0.36 0.00 6.66 4.11 -1.20 -3.05 114.58 121.46 1ii8 h GLU 727 Ca -0.00 -0.62 0.00 0.00 0.07 0.00 0.00 59.36 58.81 1ii8 h GLU 727 Cb 0.13 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1ii8 h GLU 727 CO 0.00 1.30 0.00 0.93 0.07 0.00 0.00 179.01 181.31 1ii8 h GLU 728 N 0.10 0.00 0.16 1.06 4.39 -0.88 -2.93 114.58 116.48 1ii8 h GLU 728 Ca -0.37 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.06 1ii8 h GLU 728 Cb 2.08 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.75 1ii8 h GLU 728 CO 0.15 0.00 -1.33 1.25 -1.16 0.00 0.00 179.01 177.93 1ii8 h LEU 729 N 0.00 0.53 -0.33 1.33 6.46 -1.02 -3.24 115.31 119.04 1ii8 h LEU 729 Ca 0.00 -0.91 0.07 0.00 -0.12 0.00 0.00 57.88 56.93 1ii8 h LEU 729 Cb 0.65 -0.17 -0.07 0.00 -0.73 0.00 0.00 40.66 40.33 1ii8 h LEU 729 CO 0.00 1.61 -0.16 0.40 -0.62 0.00 0.00 178.44 179.66 1ii8 h ILE 730 N -0.17 0.51 -0.67 4.05 2.04 -1.45 -1.74 117.51 120.07 1ii8 h ILE 730 Ca -0.26 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.72 1ii8 h ILE 730 Cb 1.86 0.51 -0.13 0.00 -0.74 0.00 0.00 36.82 38.32 1ii8 h ILE 730 CO 0.14 0.00 -0.27 -0.08 0.00 0.00 0.00 178.15 177.94 1ii8 h GLU 731 N -0.11 -0.08 -0.02 2.37 4.57 -1.60 0.18 114.58 119.88 1ii8 h GLU 731 Ca 0.17 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.38 1ii8 h GLU 731 Cb 0.37 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.95 1ii8 h GLU 731 CO -0.40 -0.05 -0.12 0.87 -1.18 0.00 0.00 179.01 178.12 1ii8 h LYS 732 N -0.08 -0.19 -0.99 1.92 1.57 -1.37 0.38 116.57 117.81 1ii8 h LYS 732 Ca 0.29 0.01 0.21 0.00 -1.87 0.00 0.00 60.65 59.29 1ii8 h LYS 732 Cb 0.54 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.80 1ii8 h LYS 732 CO -0.72 -0.13 0.62 0.28 -0.57 0.00 0.00 179.45 178.93 1ii8 h VAL 733 N -0.20 0.65 -0.47 0.50 2.07 -0.36 0.98 116.25 119.43 1ii8 h VAL 733 Ca 0.05 -0.20 -0.11 0.00 0.82 0.00 0.00 66.70 67.26 1ii8 h VAL 733 Cb 0.27 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 1ii8 h VAL 733 CO -0.14 0.11 -0.15 0.50 0.02 0.00 0.00 177.57 177.91 1ii8 h LYS 734 N 0.58 0.89 0.52 1.57 3.64 0.19 -1.44 116.57 122.53 1ii8 h LYS 734 Ca 0.56 -0.33 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 1ii8 h LYS 734 Cb 1.12 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1ii8 h LYS 734 CO -0.31 0.98 -0.25 -0.22 -2.27 0.00 0.00 179.45 177.37 1ii8 h LYS 735 N 0.79 -0.68 -0.03 1.90 3.64 0.47 -2.74 116.57 119.93 1ii8 h LYS 735 Ca 0.12 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1ii8 h LYS 735 Cb 0.68 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.62 1ii8 h LYS 735 CO 0.05 -0.45 -0.34 1.88 -2.27 0.00 0.00 179.45 178.32 1ii8 h TYR 736 N -0.82 -1.00 -0.67 1.91 0.99 -0.69 -0.55 116.97 116.13 1ii8 h TYR 736 Ca -0.07 0.03 0.12 0.00 2.00 0.00 0.00 58.73 60.81 1ii8 h TYR 736 Cb 0.54 0.44 -0.12 0.00 1.00 0.00 0.00 36.73 38.59 1ii8 h TYR 736 CO 0.07 -0.36 -0.21 1.17 -0.00 0.00 0.00 178.16 178.84 1ii8 n LYS 737 N -4.35 -0.10 0.00 4.88 4.81 -0.54 0.25 118.16 123.10 1ii8 n LYS 737 Ca -0.04 1.04 0.00 0.00 -0.87 0.00 0.00 58.31 58.43 1ii8 n LYS 737 Cb 0.25 -1.55 0.00 0.00 0.02 0.00 0.00 35.03 33.75 1ii8 n LYS 737 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ii8 n ALA 738 N -3.71 -0.12 -0.34 3.14 0.00 -0.30 -2.03 120.51 117.15 1ii8 n ALA 738 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.50 1ii8 n ALA 738 Cb 0.31 0.18 0.02 0.00 0.00 0.00 0.00 19.45 19.96 1ii8 n ALA 738 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ii8 h LEU 739 N 0.00 -1.41 -0.92 0.00 3.38 0.71 0.61 115.31 117.68 1ii8 h LEU 739 Ca 0.00 0.29 0.15 0.00 0.09 0.00 0.00 57.88 58.42 1ii8 h LEU 739 Cb 0.00 0.72 -0.16 0.00 0.09 0.00 0.00 40.66 41.32 1ii8 h LEU 739 CO 0.00 -0.29 -0.34 0.00 0.09 0.00 0.00 178.44 177.90 1ii8 h ALA 740 N 1.23 0.24 -0.39 1.53 0.00 -0.64 0.15 119.26 121.39 1ii8 h ALA 740 Ca 0.31 0.28 -0.15 0.00 0.00 0.00 0.00 54.91 55.35 1ii8 h ALA 740 Cb 0.58 0.90 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1ii8 h ALA 740 CO -0.91 -0.57 -0.34 -0.09 0.00 0.00 0.00 179.25 177.34 1ii8 h ARG 741 N -0.03 0.88 0.19 0.00 2.43 0.71 -1.81 114.38 116.75 1ii8 h ARG 741 Ca 0.35 -0.43 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 1ii8 h ARG 741 Cb 0.61 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 1ii8 h ARG 741 CO -0.93 1.08 -0.16 1.49 -1.51 0.00 0.00 179.97 179.94 1ii8 h GLU 742 N 0.73 -0.32 -0.08 0.20 4.81 0.17 -1.57 114.58 118.52 1ii8 h GLU 742 Ca 0.07 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1ii8 h GLU 742 Cb 0.91 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.32 1ii8 h GLU 742 CO 0.08 -0.21 -0.35 0.00 -0.73 0.00 0.00 179.01 177.79 1ii8 h ALA 743 N -1.55 -0.74 -0.75 2.92 0.00 -1.29 -1.71 119.26 116.14 1ii8 h ALA 743 Ca -0.02 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 54.99 1ii8 h ALA 743 Cb 0.28 0.86 -0.14 0.00 0.00 0.00 0.00 17.79 18.79 1ii8 h ALA 743 CO -0.00 -0.87 -0.20 0.00 0.00 0.00 0.00 179.25 178.18 1ii8 n ALA 744 N -2.85 0.14 0.03 0.00 0.00 -0.68 0.17 120.51 117.32 1ii8 n ALA 744 Ca -0.04 0.81 -0.08 0.00 0.00 0.00 0.00 53.44 54.13 1ii8 n ALA 744 Cb 0.25 -0.47 0.08 0.00 0.00 0.00 0.00 19.45 19.30 1ii8 n ALA 744 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ii8 h LEU 745 N 0.00 0.53 0.60 0.00 3.38 -0.64 -1.46 115.31 117.72 1ii8 h LEU 745 Ca 0.35 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1ii8 h LEU 745 Cb 0.53 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1ii8 h LEU 745 CO -0.77 0.97 -0.48 -1.28 0.09 0.00 0.00 178.44 176.97 1ii8 h SER 746 N 0.36 -1.27 -0.54 -0.43 0.87 0.27 0.24 113.55 113.05 1ii8 h SER 746 Ca 0.01 0.09 0.03 0.00 -1.23 0.00 0.00 61.79 60.69 1ii8 h SER 746 Cb 1.07 0.40 -0.03 0.00 -0.44 0.00 0.00 62.40 63.41 1ii8 h SER 746 CO 0.10 -0.68 0.36 0.11 -0.53 0.00 0.00 176.83 176.19 1ii8 h LYS 747 N -1.05 0.60 -0.60 2.24 1.57 -1.29 -0.88 116.57 117.15 1ii8 h LYS 747 Ca -0.07 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1ii8 h LYS 747 Cb 0.88 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 1ii8 h LYS 747 CO 0.00 0.39 0.31 0.82 -0.57 0.00 0.00 179.45 180.41 1ii8 h ILE 748 N 0.61 1.20 -0.23 1.86 2.04 -0.64 -2.82 117.51 119.54 1ii8 h ILE 748 Ca 0.22 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 1ii8 h ILE 748 Cb 0.10 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1ii8 h ILE 748 CO -0.06 0.23 0.05 1.23 0.00 0.00 0.00 178.15 179.60 1ii8 h GLY 749 N 0.82 0.40 -0.32 5.37 0.00 0.35 0.17 103.07 109.85 1ii8 h GLY 749 Ca 0.21 -0.25 0.30 0.00 0.00 0.00 0.00 47.33 47.59 1ii8 h GLY 749 CO -0.03 0.24 0.71 -2.09 0.00 0.00 0.00 176.54 175.37 1ii8 h GLU 750 N 0.19 0.30 0.03 4.80 4.57 -1.11 0.60 114.58 123.96 1ii8 h GLU 750 Ca 0.07 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1ii8 h GLU 750 Cb 0.29 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1ii8 h GLU 750 CO 0.00 0.20 -0.02 -0.07 -1.18 0.00 0.00 179.01 177.94 1ii8 h LEU 751 N 0.31 -0.04 -1.12 1.64 3.38 -1.24 -3.26 115.31 114.98 1ii8 h LEU 751 Ca 0.63 0.00 0.38 0.00 0.09 0.00 0.00 57.88 58.98 1ii8 h LEU 751 Cb 1.75 0.01 -0.15 0.00 0.09 0.00 0.00 40.66 42.36 1ii8 h LEU 751 CO -0.30 0.36 0.64 0.00 0.09 0.00 0.00 178.44 179.23 1ii8 h ALA 752 N -1.20 2.24 0.78 1.53 0.00 0.76 0.48 119.26 123.83 1ii8 h ALA 752 Ca -0.00 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1ii8 h ALA 752 Cb 0.04 0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1ii8 h ALA 752 CO 0.01 -0.90 -0.38 0.77 0.00 0.00 0.00 179.25 178.75 1ii8 h SER 753 N 0.17 -0.90 0.28 0.00 0.02 -0.00 0.62 113.55 113.73 1ii8 h SER 753 Ca 0.79 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.76 1ii8 h SER 753 Cb 2.08 0.24 -0.00 0.00 0.14 0.00 0.00 62.40 64.85 1ii8 h SER 753 CO -0.60 -0.64 -0.17 -0.08 -1.14 0.00 0.00 176.83 174.21 1ii8 h GLU 754 N -1.05 -0.41 -0.95 3.45 4.22 -0.24 0.20 114.58 119.79 1ii8 h GLU 754 Ca -0.11 0.03 0.18 0.00 0.08 0.00 0.00 59.36 59.54 1ii8 h GLU 754 Cb 0.81 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 30.07 1ii8 h GLU 754 CO 0.17 -0.27 0.61 0.82 -2.18 0.00 0.00 179.01 178.15 1ii8 h ILE 755 N -0.43 0.75 0.00 2.32 2.04 -0.74 0.43 117.51 121.88 1ii8 h ILE 755 Ca -0.03 -0.23 -0.11 0.00 1.00 0.00 0.00 64.86 65.49 1ii8 h ILE 755 Cb 0.35 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 1ii8 h ILE 755 CO 0.03 0.12 -0.52 0.15 0.00 0.00 0.00 178.15 177.93 1ii8 h PHE 756 N 0.67 0.00 -0.60 1.37 3.57 0.16 -3.09 116.94 119.01 1ii8 h PHE 756 Ca 0.51 0.00 0.01 0.00 3.53 0.00 0.00 57.97 62.02 1ii8 h PHE 756 Cb 0.91 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.62 1ii8 h PHE 756 CO -0.00 0.52 0.40 0.00 -2.23 0.00 0.00 178.31 177.00 1ii8 h ALA 757 N 1.48 0.77 0.00 2.41 0.00 0.30 -2.17 119.26 122.05 1ii8 h ALA 757 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ii8 h ALA 757 Cb 0.97 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1ii8 h ALA 757 CO 0.07 0.18 -0.04 0.39 0.00 0.00 0.00 179.25 179.85 1ii8 n GLU 758 N -4.68 0.08 0.16 0.00 1.02 -1.07 -1.29 120.64 114.87 1ii8 n GLU 758 Ca 0.05 0.07 0.12 0.00 -0.02 0.00 0.00 57.16 57.37 1ii8 n GLU 758 Cb 0.03 -1.59 0.15 0.00 -0.02 0.00 0.00 31.44 30.01 1ii8 n GLU 758 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1ii8 h PHE 759 N 0.00 0.00 0.00 -0.32 0.04 -1.32 -3.34 116.94 112.00 1ii8 h PHE 759 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1ii8 h PHE 759 Cb 0.58 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.73 1ii8 h PHE 759 CO 0.00 0.00 0.00 0.25 -0.60 0.00 0.00 178.31 177.96 1ii8 n THR 760 N -2.81 0.00 -2.67 -1.55 -2.24 -1.02 -4.97 114.28 99.02 1ii8 n THR 760 Ca 0.03 -0.46 -0.10 0.00 -2.27 0.00 0.00 64.05 61.25 1ii8 n THR 760 Cb 0.52 1.06 0.05 0.00 -2.10 0.00 0.00 70.33 69.85 1ii8 n THR 760 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ii8 n GLU 761 N -0.23 -1.56 0.00 -0.78 1.02 -0.50 -3.14 120.64 115.45 1ii8 n GLU 761 Ca 0.00 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 1ii8 n GLU 761 Cb 0.01 -4.39 0.00 0.00 -0.02 0.00 0.00 31.44 27.04 1ii8 n GLU 761 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ii8 n GLY 762 N -1.32 1.53 0.53 0.62 0.00 -0.41 -4.79 105.19 101.36 1ii8 n GLY 762 Ca -0.05 0.00 0.39 0.00 0.00 0.00 0.00 46.02 46.36 1ii8 n GLY 762 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ii8 h LYS 763 N 0.53 0.08 -3.96 1.61 3.64 -1.80 -3.27 116.57 113.39 1ii8 h LYS 763 Ca 0.00 -0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.80 1ii8 h LYS 763 Cb 0.00 -0.02 -0.39 0.00 -0.41 0.00 0.00 32.23 31.41 1ii8 h LYS 763 CO 0.00 0.05 -0.77 0.71 -2.27 0.00 0.00 179.45 177.17 1ii8 s TYR 764 N -5.15 1.81 0.07 1.91 1.51 -1.26 -5.01 117.35 111.23 1ii8 s TYR 764 Ca -0.07 -1.42 -0.36 0.00 -1.01 0.00 0.00 57.07 54.22 1ii8 s TYR 764 Cb 0.27 -1.40 -0.19 0.00 -0.11 0.00 0.00 41.96 40.53 1ii8 s TYR 764 CO 0.84 -0.72 1.59 0.66 -1.11 0.00 0.00 175.55 176.80 1ii8 h SER 765 N 8.08 -1.05 -4.34 2.29 4.64 -1.76 -3.38 113.55 118.04 1ii8 h SER 765 Ca -0.16 0.05 -0.38 0.00 -0.47 0.00 0.00 61.79 60.83 1ii8 h SER 765 Cb 1.08 0.29 -0.25 0.00 -0.31 0.00 0.00 62.40 63.22 1ii8 h SER 765 CO 0.39 -0.69 -0.77 -0.70 -0.87 0.00 0.00 176.83 174.19 1ii8 s GLU 766 N -6.00 0.73 0.02 4.77 2.12 -1.26 -4.73 118.70 114.35 1ii8 s GLU 766 Ca -0.19 -0.63 0.01 0.00 0.36 0.00 0.00 54.97 54.53 1ii8 s GLU 766 Cb 0.03 -0.68 -0.04 0.00 0.26 0.00 0.00 34.13 33.71 1ii8 s GLU 766 CO 0.61 0.16 0.04 0.08 -0.54 0.00 0.00 175.26 175.61 1ii8 s VAL 767 N -0.80 4.39 -0.16 3.70 1.01 -1.26 -1.55 120.40 125.73 1ii8 s VAL 767 Ca -0.01 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1ii8 s VAL 767 Cb -0.07 -3.01 0.03 0.00 0.00 0.00 0.00 36.38 33.33 1ii8 s VAL 767 CO 0.01 0.31 -0.15 -0.69 0.00 0.00 0.00 175.10 174.58 1ii8 s VAL 768 N -1.18 1.67 -0.20 2.92 1.01 0.36 -4.68 120.40 120.29 1ii8 s VAL 768 Ca 0.22 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1ii8 s VAL 768 Cb -0.12 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.71 1ii8 s VAL 768 CO 0.14 0.43 -0.15 -0.69 0.00 0.00 0.00 175.10 174.83 1ii8 s VAL 769 N 1.44 2.35 -0.04 2.92 1.01 -1.26 0.48 120.40 127.30 1ii8 s VAL 769 Ca 0.04 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.06 1ii8 s VAL 769 Cb -0.13 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.17 1ii8 s VAL 769 CO -0.11 0.41 -0.10 -0.60 0.00 0.00 0.00 175.10 174.70 1ii8 s ARG 770 N 1.29 1.17 0.03 2.72 3.52 -0.69 -4.72 118.95 122.27 1ii8 s ARG 770 Ca 0.03 -0.32 -0.13 0.00 -0.13 0.00 0.00 55.73 55.18 1ii8 s ARG 770 Cb -0.15 -1.05 -0.06 0.00 -1.56 0.00 0.00 34.95 32.14 1ii8 s ARG 770 CO -0.10 0.07 0.40 0.00 -0.81 0.00 0.00 175.30 174.87 1ii8 s ALA 771 N 0.41 3.71 0.17 6.12 0.00 -1.26 -1.39 121.76 129.52 1ii8 s ALA 771 Ca -0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 51.96 51.58 1ii8 s ALA 771 Cb -0.11 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.63 1ii8 s ALA 771 CO 0.01 0.51 0.12 -1.21 0.00 0.00 0.00 175.76 175.20 1ii8 s GLU 772 N -1.40 1.11 0.01 0.00 2.02 0.84 -5.01 118.70 116.27 1ii8 s GLU 772 Ca 0.27 -1.52 -0.39 0.00 0.02 0.00 0.00 54.97 53.35 1ii8 s GLU 772 Cb -0.15 0.27 -0.18 0.00 0.10 0.00 0.00 34.13 34.16 1ii8 s GLU 772 CO 0.15 -0.35 1.23 0.39 0.02 0.00 0.00 175.26 176.69 1ii8 n GLU 773 N -0.20 0.54 -3.67 1.61 -0.58 -1.26 -1.44 120.64 115.64 1ii8 n GLU 773 Ca -0.01 0.20 -0.21 0.00 -0.42 0.00 0.00 57.16 56.71 1ii8 n GLU 773 Cb 0.65 -1.76 -0.06 0.00 -0.57 0.00 0.00 31.44 29.69 1ii8 n GLU 773 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1ii8 n ASN 774 N 2.14 0.41 0.00 1.62 4.13 -1.26 -4.87 115.26 117.43 1ii8 n ASN 774 Ca 0.20 -0.84 0.00 0.00 1.68 0.00 0.00 54.58 55.62 1ii8 n ASN 774 Cb 0.13 -1.05 0.00 0.00 -1.54 0.00 0.00 39.78 37.32 1ii8 n ASN 774 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1ii8 n LYS 775 N -3.30 0.00 -4.02 3.52 5.02 -0.52 -5.14 118.16 113.72 1ii8 n LYS 775 Ca -0.18 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.78 1ii8 n LYS 775 Cb 0.44 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.30 1ii8 n LYS 775 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ii8 s VAL 776 N 0.00 2.48 -0.06 -0.18 1.01 -1.26 -0.11 120.40 122.27 1ii8 s VAL 776 Ca 0.00 -1.29 -0.09 0.00 0.00 0.00 0.00 61.98 60.60 1ii8 s VAL 776 Cb 0.00 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 1ii8 s VAL 776 CO 0.00 0.13 0.24 -0.60 0.00 0.00 0.00 175.10 174.87 1ii8 s ARG 777 N 1.22 3.60 -0.10 2.72 3.52 -0.49 -4.92 118.95 124.50 1ii8 s ARG 777 Ca -0.03 0.04 -0.01 0.00 -0.13 0.00 0.00 55.73 55.59 1ii8 s ARG 777 Cb -0.18 -3.18 -0.03 0.00 -1.56 0.00 0.00 34.95 30.01 1ii8 s ARG 777 CO -0.06 0.73 -0.04 -0.51 -0.81 0.00 0.00 175.30 174.61 1ii8 s LEU 778 N -1.19 3.30 0.02 -0.88 1.43 -1.25 -1.70 118.68 118.40 1ii8 s LEU 778 Ca 0.20 -0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.31 1ii8 s LEU 778 Cb -0.14 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 1ii8 s LEU 778 CO 0.09 0.30 -0.09 -0.36 0.23 0.00 0.00 176.35 176.52 1ii8 s PHE 779 N -0.42 0.81 -0.26 0.29 2.99 0.18 -4.39 117.98 117.18 1ii8 s PHE 779 Ca 0.07 -0.28 -0.04 0.00 0.00 0.00 0.00 56.93 56.67 1ii8 s PHE 779 Cb -0.12 -0.49 0.01 0.00 0.00 0.00 0.00 43.02 42.41 1ii8 s PHE 779 CO 0.02 -0.02 -0.00 0.14 -0.00 0.00 0.00 175.22 175.36 1ii8 s VAL 780 N -0.68 3.42 -0.39 -0.44 -7.23 -0.95 0.13 120.40 114.26 1ii8 s VAL 780 Ca -0.01 -0.75 -0.28 0.00 -1.81 0.00 0.00 61.98 59.13 1ii8 s VAL 780 Cb -0.06 -2.70 -0.00 0.00 0.56 0.00 0.00 36.38 34.18 1ii8 s VAL 780 CO 0.00 0.22 1.60 -0.69 -0.31 0.00 0.00 175.10 175.92 1ii8 s VAL 781 N 1.43 3.68 -0.09 1.32 1.01 -0.60 -2.86 120.40 124.30 1ii8 s VAL 781 Ca 0.03 0.68 0.04 0.00 0.00 0.00 0.00 61.98 62.73 1ii8 s VAL 781 Cb -0.16 -3.96 -0.00 0.00 0.00 0.00 0.00 36.38 32.25 1ii8 s VAL 781 CO -0.02 -0.64 -0.24 0.86 0.00 0.00 0.00 175.10 175.07 1ii8 s TRP 782 N 6.27 2.54 -1.57 5.22 -0.00 -0.51 -4.35 118.94 126.53 1ii8 s TRP 782 Ca 0.69 -0.91 -0.09 0.00 -0.00 0.00 0.00 56.10 55.78 1ii8 s TRP 782 Cb -0.17 -1.68 0.08 0.00 -0.00 0.00 0.00 33.47 31.70 1ii8 s TRP 782 CO 0.32 -0.34 0.56 0.39 -0.00 0.00 0.00 176.95 177.88 1ii8 n GLU 783 N 3.32 -2.94 0.00 5.86 1.02 -1.26 -0.83 120.64 125.82 1ii8 n GLU 783 Ca -0.18 0.35 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 1ii8 n GLU 783 Cb 0.53 -4.71 0.00 0.00 -0.02 0.00 0.00 31.44 27.24 1ii8 n GLU 783 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ii8 n GLY 784 N -1.75 1.37 3.72 0.62 0.00 -1.26 -4.94 105.19 102.95 1ii8 n GLY 784 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1ii8 n GLY 784 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ii8 s LYS 785 N 0.00 4.52 0.63 1.61 -0.14 -0.01 -5.00 119.74 121.35 1ii8 s LYS 785 Ca 0.00 1.61 -0.17 0.00 -1.36 0.00 0.00 55.97 56.05 1ii8 s LYS 785 Cb 0.00 -3.38 -0.02 0.00 -1.68 0.00 0.00 37.83 32.75 1ii8 s LYS 785 CO 0.00 -0.09 1.15 -1.21 -0.76 0.00 0.00 175.35 174.44 1ii8 s GLU 786 N 0.75 2.87 0.04 1.68 2.02 -1.26 -1.42 118.70 123.36 1ii8 s GLU 786 Ca 0.54 1.60 -0.14 0.00 0.02 0.00 0.00 54.97 56.99 1ii8 s GLU 786 Cb -0.26 -1.94 0.02 0.00 0.10 0.00 0.00 34.13 32.05 1ii8 s GLU 786 CO 0.30 -1.24 0.32 1.03 0.02 0.00 0.00 175.26 175.69 1ii8 s ARG 787 N -3.69 0.80 0.46 1.61 0.52 -1.13 -4.86 118.95 112.66 1ii8 s ARG 787 Ca 0.72 -0.44 -0.23 0.00 -0.52 0.00 0.00 55.73 55.26 1ii8 s ARG 787 Cb -0.25 0.35 -0.08 0.00 0.52 0.00 0.00 34.95 35.50 1ii8 s ARG 787 CO 0.36 -0.26 1.15 -2.14 0.02 0.00 0.00 175.30 174.44 1ii8 s PRO 788 N -2.37 3.79 0.52 3.54 0.02 -1.26 -2.24 135.00 137.00 1ii8 s PRO 788 Ca -0.06 1.74 0.29 0.00 0.02 0.00 0.00 61.00 62.99 1ii8 s PRO 788 Cb -0.01 -2.41 1.41 0.00 0.02 0.00 0.00 34.50 33.51 1ii8 s PRO 788 CO -0.02 -0.52 1.89 -0.07 -0.33 0.00 0.00 177.00 177.95 1ii8 h LEU 789 N 2.07 0.07 0.00 -5.54 -0.00 -1.98 0.43 115.31 110.36 1ii8 h LEU 789 Ca -0.49 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 1ii8 h LEU 789 Cb 1.24 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.90 1ii8 h LEU 789 CO 0.60 0.02 0.00 0.35 -0.00 0.00 0.00 178.44 179.42 1ii8 n THR 790 N -4.32 0.74 0.45 0.22 -2.24 -1.26 -1.96 114.28 105.91 1ii8 n THR 790 Ca 0.18 0.19 0.13 0.00 -2.27 0.00 0.00 64.05 62.27 1ii8 n THR 790 Cb 0.89 -0.91 0.36 0.00 -2.10 0.00 0.00 70.33 68.57 1ii8 n THR 790 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1ii8 h PHE 791 N 0.00 0.00 -3.34 4.78 3.57 -0.49 -3.46 116.94 118.00 1ii8 h PHE 791 Ca 0.00 0.00 -0.49 0.00 3.53 0.00 0.00 57.97 61.01 1ii8 h PHE 791 Cb 0.23 0.00 0.02 0.00 2.79 0.00 0.00 35.95 38.99 1ii8 h PHE 791 CO 0.00 0.00 0.00 -0.51 -2.23 0.00 0.00 178.31 175.57 1ii8 s LEU 792 N -5.19 3.79 0.41 0.59 1.43 -0.83 -5.07 118.68 113.82 1ii8 s LEU 792 Ca 0.08 0.80 -0.22 0.00 -1.03 0.00 0.00 54.13 53.76 1ii8 s LEU 792 Cb 0.09 -3.71 -0.10 0.00 0.03 0.00 0.00 46.19 42.50 1ii8 s LEU 792 CO 0.60 -0.45 0.97 -0.94 0.23 0.00 0.00 176.35 176.76 1ii8 s SER 793 N -3.90 6.94 0.24 2.29 1.04 -1.26 -4.78 113.70 114.27 1ii8 s SER 793 Ca 0.45 1.77 0.03 0.00 0.48 0.00 0.00 55.95 58.68 1ii8 s SER 793 Cb -0.10 -2.55 0.61 0.00 0.10 0.00 0.00 66.02 64.08 1ii8 s SER 793 CO 0.40 -0.36 1.19 0.61 0.98 0.00 0.00 173.24 176.06 1ii8 n GLY 794 N -0.29 -1.00 0.31 7.32 0.00 -1.26 -0.10 105.19 110.17 1ii8 n GLY 794 Ca 0.06 0.73 -0.11 0.00 0.00 0.00 0.00 46.02 46.70 1ii8 n GLY 794 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ii8 h GLY 795 N 0.00 -0.75 -1.16 -0.02 0.00 -1.92 -2.63 103.07 96.59 1ii8 h GLY 795 Ca 0.47 0.28 0.42 0.00 0.00 0.00 0.00 47.33 48.50 1ii8 h GLY 795 CO -0.70 -0.27 1.18 0.83 0.00 0.00 0.00 176.54 177.57 1ii8 h GLU 796 N -1.16 0.00 0.35 4.80 5.08 -0.94 0.27 114.58 122.98 1ii8 h GLU 796 Ca -0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1ii8 h GLU 796 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1ii8 h GLU 796 CO 0.12 0.00 -0.17 0.00 -1.00 0.00 0.00 179.01 177.96 1ii8 h ARG 797 N 0.00 -0.46 -0.76 2.33 3.08 -0.25 -0.05 114.38 118.27 1ii8 h ARG 797 Ca 0.69 0.03 0.17 0.00 0.07 0.00 0.00 59.98 60.94 1ii8 h ARG 797 Cb 3.03 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 33.14 1ii8 h ARG 797 CO -0.01 -0.30 0.52 0.97 -1.07 0.00 0.00 179.97 180.07 1ii8 h ILE 798 N -0.86 0.73 0.00 2.04 2.10 -0.38 0.16 117.51 121.31 1ii8 h ILE 798 Ca -0.05 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.79 1ii8 h ILE 798 Cb 0.36 0.41 0.00 0.00 -1.09 0.00 0.00 36.82 36.51 1ii8 h ILE 798 CO 0.08 0.05 0.00 0.00 -1.08 0.00 0.00 178.15 177.20 1ii8 n ALA 799 N -2.56 -0.23 -0.31 0.18 0.00 0.65 -0.73 120.51 117.52 1ii8 n ALA 799 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.70 1ii8 n ALA 799 Cb 0.63 0.06 0.25 0.00 0.00 0.00 0.00 19.45 20.39 1ii8 n ALA 799 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ii8 h LEU 800 N 0.00 -0.33 0.00 0.00 5.85 -0.20 0.56 115.31 121.19 1ii8 h LEU 800 Ca 0.00 0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.98 1ii8 h LEU 800 Cb 0.00 0.39 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 1ii8 h LEU 800 CO 0.00 -0.26 -0.43 1.23 -0.34 0.00 0.00 178.44 178.64 1ii8 h GLY 801 N 0.08 -0.82 0.92 3.75 0.00 -0.55 0.26 103.07 106.71 1ii8 h GLY 801 Ca 0.53 0.53 -0.04 0.00 0.00 0.00 0.00 47.33 48.35 1ii8 h GLY 801 CO -0.78 -0.25 -0.49 -2.00 0.00 0.00 0.00 176.54 173.02 1ii8 h LEU 802 N -0.59 -1.20 -1.00 3.11 6.46 0.16 -1.34 115.31 120.91 1ii8 h LEU 802 Ca 0.04 0.05 0.41 0.00 -0.12 0.00 0.00 57.88 58.27 1ii8 h LEU 802 Cb 0.66 0.33 -0.18 0.00 -0.73 0.00 0.00 40.66 40.74 1ii8 h LEU 802 CO -0.32 -0.80 0.52 0.00 -0.62 0.00 0.00 178.44 177.22 1ii8 n ALA 803 N -2.70 1.00 0.27 1.25 0.00 0.16 0.05 120.51 120.54 1ii8 n ALA 803 Ca -0.16 1.02 -0.13 0.00 0.00 0.00 0.00 53.44 54.17 1ii8 n ALA 803 Cb 0.52 -1.01 -0.07 0.00 0.00 0.00 0.00 19.45 18.90 1ii8 n ALA 803 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1ii8 h PHE 804 N 0.00 -0.68 -0.55 0.00 3.04 0.12 -2.11 116.94 116.76 1ii8 h PHE 804 Ca 0.84 -0.02 0.11 0.00 3.98 0.00 0.00 57.97 62.88 1ii8 h PHE 804 Cb 2.20 0.22 -0.11 0.00 2.56 0.00 0.00 35.95 40.83 1ii8 h PHE 804 CO -0.03 -0.37 -0.21 -0.09 -2.02 0.00 0.00 178.31 175.58 1ii8 h ARG 805 N -1.12 -0.08 -0.31 1.11 1.12 0.73 0.67 114.38 116.50 1ii8 h ARG 805 Ca -0.07 0.01 0.01 0.00 -1.11 0.00 0.00 59.98 58.81 1ii8 h ARG 805 Cb 0.61 0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.57 1ii8 h ARG 805 CO 0.12 -0.05 0.18 -0.07 -3.11 0.00 0.00 179.97 177.04 1ii8 h LEU 806 N -0.08 0.29 -0.98 3.80 3.38 -1.10 -1.47 115.31 119.15 1ii8 h LEU 806 Ca 0.25 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.55 1ii8 h LEU 806 Cb 0.48 -0.06 -0.15 0.00 0.09 0.00 0.00 40.66 41.02 1ii8 h LEU 806 CO -0.61 0.21 0.48 0.00 0.09 0.00 0.00 178.44 178.61 1ii8 h ALA 807 N 1.14 1.82 0.40 1.53 0.00 -0.17 0.50 119.26 124.48 1ii8 h ALA 807 Ca 0.12 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1ii8 h ALA 807 Cb 0.00 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ii8 h ALA 807 CO -0.06 -0.61 -0.19 0.52 0.00 0.00 0.00 179.25 178.91 1ii8 h MET 808 N 0.24 -0.52 -0.62 0.00 2.86 -0.47 -0.66 114.93 115.76 1ii8 h MET 808 Ca 0.71 0.04 0.13 0.00 -2.06 0.00 0.00 59.70 58.52 1ii8 h MET 808 Cb 1.63 0.12 -0.11 0.00 0.06 0.00 0.00 31.60 33.31 1ii8 h MET 808 CO -0.66 -0.22 -0.02 0.77 1.06 0.00 0.00 176.91 177.85 1ii8 h SER 809 N -0.82 -0.31 -0.95 1.22 0.02 0.28 0.51 113.55 113.50 1ii8 h SER 809 Ca -0.05 0.16 0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1ii8 h SER 809 Cb 0.54 0.29 -0.05 0.00 0.14 0.00 0.00 62.40 63.32 1ii8 h SER 809 CO 0.09 -0.13 0.63 0.25 -1.14 0.00 0.00 176.83 176.53 1ii8 h LEU 810 N 0.10 1.07 0.55 5.07 6.46 -0.20 0.27 115.31 128.64 1ii8 h LEU 810 Ca 0.32 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 58.03 1ii8 h LEU 810 Cb 0.52 -0.26 0.01 0.00 -0.73 0.00 0.00 40.66 40.19 1ii8 h LEU 810 CO -0.54 0.76 -0.27 0.22 -0.62 0.00 0.00 178.44 177.99 1ii8 h TYR 811 N 1.26 -0.69 0.00 1.25 3.20 0.14 1.39 116.97 123.52 1ii8 h TYR 811 Ca 0.36 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.21 1ii8 h TYR 811 Cb -0.09 0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 1ii8 h TYR 811 CO -0.00 -0.36 -0.00 1.25 -1.64 0.00 0.00 178.16 177.41 1ii8 h LEU 812 N -1.01 0.00 0.00 2.82 6.46 -0.04 -3.23 115.31 120.30 1ii8 h LEU 812 Ca -0.08 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.53 1ii8 h LEU 812 Cb 0.64 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.54 1ii8 h LEU 812 CO 0.12 0.00 -1.58 0.00 -0.62 0.00 0.00 178.44 176.37 1ii8 n ALA 813 N -2.41 1.79 0.00 1.25 0.00 0.92 -5.00 120.51 117.06 1ii8 n ALA 813 Ca -0.03 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1ii8 n ALA 813 Cb 0.09 0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1ii8 n ALA 813 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ii8 n GLY 814 N 2.75 2.75 3.03 0.00 0.00 0.48 -4.94 105.19 109.26 1ii8 n GLY 814 Ca -0.16 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 1ii8 n GLY 814 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ii8 s GLU 815 N 0.00 0.45 -0.42 1.61 2.12 -1.26 -4.90 118.70 116.30 1ii8 s GLU 815 Ca 0.00 -0.73 0.03 0.00 0.36 0.00 0.00 54.97 54.63 1ii8 s GLU 815 Cb 0.00 -0.11 0.12 0.00 0.26 0.00 0.00 34.13 34.40 1ii8 s GLU 815 CO 0.00 0.00 0.17 0.42 -0.54 0.00 0.00 175.26 175.32 1ii8 s ILE 816 N -1.56 1.89 -0.25 -3.70 1.01 -1.26 -4.83 121.20 112.51 1ii8 s ILE 816 Ca -0.11 -2.55 -0.08 0.00 0.00 0.00 0.00 60.65 57.91 1ii8 s ILE 816 Cb -0.09 -2.35 -0.16 0.00 0.01 0.00 0.00 42.46 39.87 1ii8 s ILE 816 CO -0.01 -0.76 -0.19 -1.54 0.00 0.00 0.00 174.94 172.45 1ii8 n SER 817 N 3.80 1.97 -4.64 3.58 3.41 -1.26 -4.69 113.62 115.79 1ii8 n SER 817 Ca 0.05 0.16 -0.26 0.00 -0.26 0.00 0.00 58.87 58.56 1ii8 n SER 817 Cb 0.37 -0.69 -0.08 0.00 -0.26 0.00 0.00 64.21 63.55 1ii8 n SER 817 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ii8 s LEU 818 N -7.14 3.23 -0.29 1.04 2.96 -1.26 -2.88 118.68 114.32 1ii8 s LEU 818 Ca -0.35 -0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 53.08 1ii8 s LEU 818 Cb 0.11 -1.86 0.19 0.00 0.50 0.00 0.00 46.19 45.13 1ii8 s LEU 818 CO 0.57 0.08 0.58 -0.22 -1.32 0.00 0.00 176.35 176.03 1ii8 s LEU 819 N -3.05 -1.37 -0.34 -0.68 2.96 -0.95 -5.02 118.68 110.24 1ii8 s LEU 819 Ca 0.28 0.73 -0.14 0.00 -0.22 0.00 0.00 54.13 54.78 1ii8 s LEU 819 Cb -0.09 2.07 -0.02 0.00 0.50 0.00 0.00 46.19 48.66 1ii8 s LEU 819 CO 0.18 -0.27 0.29 -0.63 -1.32 0.00 0.00 176.35 174.60 1ii8 s ILE 820 N 2.83 5.24 -0.43 6.68 1.01 -1.26 -1.73 121.20 133.53 1ii8 s ILE 820 Ca 0.19 -0.09 -0.10 0.00 0.00 0.00 0.00 60.65 60.65 1ii8 s ILE 820 Cb -0.14 -3.75 0.08 0.00 0.01 0.00 0.00 42.46 38.65 1ii8 s ILE 820 CO -0.21 -0.04 0.29 -0.76 0.00 0.00 0.00 174.94 174.22 1ii8 s LEU 821 N 1.85 5.26 -1.10 2.97 1.02 -0.77 -4.98 118.68 122.93 1ii8 s LEU 821 Ca 0.09 -1.49 -0.17 0.00 0.02 0.00 0.00 54.13 52.57 1ii8 s LEU 821 Cb -0.17 -2.02 0.13 0.00 0.02 0.00 0.00 46.19 44.14 1ii8 s LEU 821 CO 0.11 -0.56 1.37 -0.62 0.02 0.00 0.00 176.35 176.67 1ii8 s ASP 822 N 2.22 6.81 -0.11 2.29 3.68 -1.26 -1.09 116.67 129.21 1ii8 s ASP 822 Ca 0.03 -2.38 -0.06 0.00 2.13 0.00 0.00 52.55 52.28 1ii8 s ASP 822 Cb -0.23 -2.45 0.02 0.00 -1.45 0.00 0.00 42.92 38.81 1ii8 s ASP 822 CO 0.03 -1.02 0.12 1.21 0.13 0.00 0.00 175.17 175.64 1ii8 n GLU 823 N 6.79 -2.96 -0.09 4.34 2.13 0.12 -4.96 120.64 126.02 1ii8 n GLU 823 Ca 0.33 2.37 -0.11 0.00 0.66 0.00 0.00 57.16 60.42 1ii8 n GLU 823 Cb 0.47 -3.15 -0.15 0.00 0.27 0.00 0.00 31.44 28.88 1ii8 n GLU 823 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1ii8 n PRO 824 N 1.96 0.68 -2.27 5.31 -0.04 -1.26 -4.97 135.00 134.39 1ii8 n PRO 824 Ca -0.20 0.07 -0.42 0.00 -0.04 0.00 0.00 63.50 62.91 1ii8 n PRO 824 Cb 0.34 -1.58 -0.03 0.00 -0.04 0.00 0.00 33.50 32.20 1ii8 n PRO 824 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1ii8 s THR 825 N -2.51 3.67 -1.10 0.52 -1.32 -1.26 -4.98 115.64 108.66 1ii8 s THR 825 Ca -0.12 1.17 -0.20 0.00 -1.21 0.00 0.00 61.69 61.33 1ii8 s THR 825 Cb 0.07 -3.75 0.08 0.00 -1.51 0.00 0.00 72.50 67.39 1ii8 s THR 825 CO 0.81 0.07 1.47 -2.16 -2.21 0.00 0.00 174.62 172.60 1ii8 s PRO 826 N 1.42 3.74 -0.82 7.08 0.04 -1.26 -4.57 135.00 140.63 1ii8 s PRO 826 Ca 0.62 -1.58 -0.02 0.00 0.04 0.00 0.00 61.00 60.06 1ii8 s PRO 826 Cb -0.33 -5.31 -0.00 0.00 0.04 0.00 0.00 34.50 28.90 1ii8 s PRO 826 CO 0.29 -2.12 0.69 0.98 0.04 0.00 0.00 177.00 176.88 1ii8 n TYR 827 N 8.11 -2.57 -3.70 0.56 9.36 -1.26 -3.77 117.16 123.90 1ii8 n TYR 827 Ca 0.36 0.97 -0.26 0.00 3.32 0.00 0.00 57.90 62.29 1ii8 n TYR 827 Cb 0.49 -3.64 0.01 0.00 -0.63 0.00 0.00 39.34 35.56 1ii8 n TYR 827 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1ii8 n LEU 828 N -2.33 -0.86 -4.89 2.98 4.32 -1.26 -4.96 117.00 110.00 1ii8 n LEU 828 Ca -0.11 -0.85 -0.29 0.00 -0.02 0.00 0.00 56.01 54.74 1ii8 n LEU 828 Cb 0.57 -1.21 0.15 0.00 -1.62 0.00 0.00 43.42 41.32 1ii8 n LEU 828 CO 0.58 0.44 0.82 -0.62 -1.22 0.00 0.00 177.39 177.39 1ii8 s ASP 829 N -3.19 3.53 -0.07 -1.43 -1.08 -1.25 -5.03 116.67 108.15 1ii8 s ASP 829 Ca 0.15 0.54 -0.01 0.00 -0.52 0.00 0.00 52.55 52.70 1ii8 s ASP 829 Cb -0.08 -0.80 -0.04 0.00 -1.46 0.00 0.00 42.92 40.54 1ii8 s ASP 829 CO 0.71 -2.50 -0.07 1.21 0.52 0.00 0.00 175.17 175.04 1ii8 n GLU 830 N -3.66 0.17 0.29 4.34 0.00 -1.26 -3.89 120.64 116.61 1ii8 n GLU 830 Ca 0.12 0.05 -0.16 0.00 0.00 0.00 0.00 57.16 57.16 1ii8 n GLU 830 Cb 0.60 -1.00 -0.08 0.00 0.00 0.00 0.00 31.44 30.96 1ii8 n GLU 830 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1ii8 h GLU 831 N -0.10 -0.73 0.49 5.31 4.81 -1.99 0.62 114.58 122.99 1ii8 h GLU 831 Ca -0.16 0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 1ii8 h GLU 831 Cb 1.21 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.76 1ii8 h GLU 831 CO -0.06 -0.49 -0.24 0.00 -0.73 0.00 0.00 179.01 177.50 1ii8 h ARG 832 N -0.76 -0.63 -0.93 1.92 3.08 -1.88 -3.08 114.38 112.09 1ii8 h ARG 832 Ca -0.06 0.04 0.24 0.00 0.07 0.00 0.00 59.98 60.28 1ii8 h ARG 832 Cb 0.62 0.14 -0.17 0.00 0.08 0.00 0.00 29.97 30.64 1ii8 h ARG 832 CO 0.06 -0.33 -0.03 -2.13 -1.07 0.00 0.00 179.97 176.46 1ii8 n ARG 833 N -5.24 -0.08 0.07 0.04 0.63 -1.22 -0.81 116.66 110.06 1ii8 n ARG 833 Ca -0.10 1.40 -0.04 0.00 -0.92 0.00 0.00 57.85 58.19 1ii8 n ARG 833 Cb 0.31 -2.20 -0.02 0.00 0.45 0.00 0.00 32.46 31.00 1ii8 n ARG 833 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1ii8 h ARG 834 N 0.00 -0.22 -1.04 -0.14 2.43 -0.82 0.22 114.38 114.80 1ii8 h ARG 834 Ca 0.54 0.02 0.37 0.00 -0.81 0.00 0.00 59.98 60.10 1ii8 h ARG 834 Cb 1.06 0.05 -0.16 0.00 -0.42 0.00 0.00 29.97 30.50 1ii8 h ARG 834 CO -0.89 -0.15 0.60 -0.22 -1.51 0.00 0.00 179.97 177.80 1ii8 h LYS 835 N -0.23 0.17 -0.11 0.20 1.63 -0.89 0.45 116.57 117.80 1ii8 h LYS 835 Ca -0.02 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 1ii8 h LYS 835 Cb 0.19 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.78 1ii8 h LYS 835 CO 0.00 0.11 -0.00 1.25 -3.45 0.00 0.00 179.45 177.36 1ii8 h LEU 836 N 0.17 0.19 -2.20 5.20 5.85 -0.57 0.63 115.31 124.58 1ii8 h LEU 836 Ca 0.79 -0.32 0.06 0.00 0.84 0.00 0.00 57.88 59.25 1ii8 h LEU 836 Cb 2.01 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.98 1ii8 h LEU 836 CO -0.64 0.46 0.22 0.40 -0.34 0.00 0.00 178.44 178.54 1ii8 h ILE 837 N -0.09 0.48 0.03 4.05 1.08 0.19 1.20 117.51 124.46 1ii8 h ILE 837 Ca 0.03 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.50 1ii8 h ILE 837 Cb 0.37 0.83 0.00 0.00 -3.07 0.00 0.00 36.82 34.94 1ii8 h ILE 837 CO 0.01 0.00 -0.02 0.74 -0.69 0.00 0.00 178.15 178.19 1ii8 h THR 838 N 0.00 0.00 -1.24 -0.27 2.02 -0.11 -2.98 112.91 110.34 1ii8 h THR 838 Ca 0.10 -0.58 0.36 0.00 0.77 0.00 0.00 66.41 67.06 1ii8 h THR 838 Cb 0.53 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.88 1ii8 h THR 838 CO -0.00 0.00 0.87 0.40 0.37 0.00 0.00 175.52 177.16 1ii8 h ILE 839 N -0.62 0.37 0.41 3.11 2.04 0.98 0.15 117.51 123.96 1ii8 h ILE 839 Ca -0.00 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1ii8 h ILE 839 Cb 0.03 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 1ii8 h ILE 839 CO 0.01 0.01 -0.20 -0.03 0.00 0.00 0.00 178.15 177.95 1ii8 h MET 840 N 0.08 -0.53 0.00 2.37 4.05 0.14 -1.87 114.93 119.17 1ii8 h MET 840 Ca 0.62 0.04 -0.15 0.00 -0.28 0.00 0.00 59.70 59.93 1ii8 h MET 840 Cb 2.27 0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 33.17 1ii8 h MET 840 CO -0.09 -0.24 -0.71 0.93 0.23 0.00 0.00 176.91 177.03 1ii8 h GLU 841 N -0.77 0.00 -0.02 0.39 5.08 -0.60 -1.32 114.58 117.34 1ii8 h GLU 841 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1ii8 h GLU 841 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1ii8 h GLU 841 CO 0.09 0.68 -0.32 0.54 -1.00 0.00 0.00 179.01 179.01 1ii8 n ARG 842 N -3.27 1.41 0.06 2.33 1.74 -0.37 -4.65 116.66 113.92 1ii8 n ARG 842 Ca 0.01 -1.12 0.00 0.00 -0.77 0.00 0.00 57.85 55.97 1ii8 n ARG 842 Cb 0.82 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 1ii8 n ARG 842 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1ii8 n TYR 843 N 0.18 -1.30 0.03 -1.55 9.36 -1.00 -4.95 117.16 117.93 1ii8 n TYR 843 Ca 0.11 0.24 -0.01 0.00 3.32 0.00 0.00 57.90 61.56 1ii8 n TYR 843 Cb 0.47 0.69 0.27 0.00 -0.63 0.00 0.00 39.34 40.15 1ii8 n TYR 843 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1ii8 h LEU 844 N 0.00 0.44 -2.75 2.98 3.38 -1.14 -2.19 115.31 116.02 1ii8 h LEU 844 Ca 0.00 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1ii8 h LEU 844 Cb 0.00 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1ii8 h LEU 844 CO 0.00 0.60 -0.01 0.11 0.09 0.00 0.00 178.44 179.23 1ii8 h LYS 845 N 0.42 0.00 -0.96 1.13 1.57 -1.51 -0.00 116.57 117.22 1ii8 h LYS 845 Ca 0.08 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.99 1ii8 h LYS 845 Cb 0.48 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.70 1ii8 h LYS 845 CO 0.03 0.01 0.58 -0.22 -0.57 0.00 0.00 179.45 179.28 1ii8 h LYS 846 N 0.00 0.85 -6.94 3.15 3.64 -1.68 -3.42 116.57 112.17 1ii8 h LYS 846 Ca -0.00 -0.05 -0.53 0.00 -1.27 0.00 0.00 60.65 58.80 1ii8 h LYS 846 Cb 0.04 -0.19 0.09 0.00 -0.41 0.00 0.00 32.23 31.75 1ii8 h LYS 846 CO 0.00 0.56 0.65 0.42 -2.27 0.00 0.00 179.45 178.81 1ii8 s ILE 847 N -5.95 2.51 0.17 2.00 1.01 -0.02 -4.94 121.20 115.98 1ii8 s ILE 847 Ca -0.12 0.48 -0.24 0.00 0.00 0.00 0.00 60.65 60.77 1ii8 s ILE 847 Cb 0.22 -3.29 0.05 0.00 0.01 0.00 0.00 42.46 39.46 1ii8 s ILE 847 CO 0.80 0.09 1.58 -0.65 0.00 0.00 0.00 174.94 176.76 1ii8 h PRO 848 N 2.82 -0.24 -2.67 2.79 0.11 -1.83 -3.41 132.00 129.58 1ii8 h PRO 848 Ca -0.50 0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.44 1ii8 h PRO 848 Cb 1.24 0.06 -0.31 0.00 0.11 0.00 0.00 31.00 32.09 1ii8 h PRO 848 CO 0.63 -0.16 -0.50 -1.14 -0.21 0.00 0.00 178.00 176.62 1ii8 s GLN 849 N -5.93 0.21 -0.10 1.05 0.74 -1.14 -5.09 119.66 109.40 1ii8 s GLN 849 Ca -0.15 0.74 0.04 0.00 0.05 0.00 0.00 55.36 56.04 1ii8 s GLN 849 Cb 0.13 -0.10 0.00 0.00 1.10 0.00 0.00 33.01 34.15 1ii8 s GLN 849 CO 0.67 -0.34 -0.22 0.08 -0.55 0.00 0.00 175.29 174.93 1ii8 s VAL 850 N 2.47 1.94 -0.60 1.34 1.01 -1.26 -2.24 120.40 123.05 1ii8 s VAL 850 Ca 0.02 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 60.98 1ii8 s VAL 850 Cb -0.13 -1.69 0.16 0.00 0.00 0.00 0.00 36.38 34.72 1ii8 s VAL 850 CO -0.10 0.53 0.47 -0.63 0.00 0.00 0.00 175.10 175.36 1ii8 s ILE 851 N 0.46 4.31 -0.03 2.22 1.01 -0.71 -5.01 121.20 123.45 1ii8 s ILE 851 Ca -0.17 -2.36 -0.22 0.00 0.00 0.00 0.00 60.65 57.91 1ii8 s ILE 851 Cb -0.17 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 1ii8 s ILE 851 CO 0.07 -0.86 0.63 -0.22 0.00 0.00 0.00 174.94 174.55 1ii8 s LEU 852 N 0.59 4.38 -0.30 2.97 2.96 -1.26 -1.84 118.68 126.17 1ii8 s LEU 852 Ca 0.12 1.17 0.03 0.00 -0.22 0.00 0.00 54.13 55.23 1ii8 s LEU 852 Cb -0.20 -2.98 0.08 0.00 0.50 0.00 0.00 46.19 43.59 1ii8 s LEU 852 CO -0.04 0.02 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.32 1ii8 s VAL 853 N 0.18 2.12 0.06 1.68 1.01 -0.25 -4.98 120.40 120.22 1ii8 s VAL 853 Ca 0.33 -1.99 -0.06 0.00 0.00 0.00 0.00 61.98 60.26 1ii8 s VAL 853 Cb -0.18 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 1ii8 s VAL 853 CO 0.17 -0.38 0.11 -0.55 0.00 0.00 0.00 175.10 174.45 1ii8 s SER 854 N 1.04 0.22 -0.35 3.32 0.15 -1.26 0.11 113.70 116.92 1ii8 s SER 854 Ca 0.03 -0.67 0.08 0.00 0.70 0.00 0.00 55.95 56.09 1ii8 s SER 854 Cb -0.19 0.26 0.61 0.00 -1.71 0.00 0.00 66.02 64.99 1ii8 s SER 854 CO -0.08 -0.61 1.69 0.00 1.20 0.00 0.00 173.24 175.44 1ii8 n HIS 855 N 0.33 2.03 -3.65 3.44 1.44 -1.26 -4.80 115.22 112.75 1ii8 n HIS 855 Ca -0.16 -1.58 -0.36 0.00 -2.01 0.00 0.00 57.72 53.60 1ii8 n HIS 855 Cb 0.60 -0.68 -0.07 0.00 0.12 0.00 0.00 29.99 29.97 1ii8 n HIS 855 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1ii8 s ASP 856 N -1.80 5.89 0.11 4.39 3.68 -1.26 -4.87 116.67 122.80 1ii8 s ASP 856 Ca 0.51 -3.58 0.03 0.00 2.13 0.00 0.00 52.55 51.63 1ii8 s ASP 856 Cb 0.43 -1.90 0.31 0.00 -1.45 0.00 0.00 42.92 40.31 1ii8 s ASP 856 CO 0.07 -0.22 0.50 -0.62 0.13 0.00 0.00 175.17 175.03 1ii8 n GLU 857 N 2.52 -0.02 -0.23 4.34 -0.58 -1.26 -0.57 120.64 124.85 1ii8 n GLU 857 Ca 0.19 0.47 -0.06 0.00 -0.42 0.00 0.00 57.16 57.34 1ii8 n GLU 857 Cb 0.37 -0.77 -0.05 0.00 -0.57 0.00 0.00 31.44 30.42 1ii8 n GLU 857 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1ii8 n GLU 858 N -4.07 -0.24 0.12 3.49 -0.58 -1.26 0.95 120.64 119.05 1ii8 n GLU 858 Ca 0.09 1.01 0.16 0.00 -0.42 0.00 0.00 57.16 58.00 1ii8 n GLU 858 Cb 0.30 -1.50 0.45 0.00 -0.57 0.00 0.00 31.44 30.13 1ii8 n GLU 858 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1ii8 h LEU 859 N 0.00 0.00 -1.31 -4.62 3.38 -1.24 -3.02 115.31 108.50 1ii8 h LEU 859 Ca 0.09 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.22 1ii8 h LEU 859 Cb 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1ii8 h LEU 859 CO -0.51 0.00 0.85 0.50 0.09 0.00 0.00 178.44 179.37 1ii8 h LYS 860 N 0.00 0.00 -0.22 1.13 3.64 0.41 -1.53 116.57 120.00 1ii8 h LYS 860 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1ii8 h LYS 860 Cb 1.81 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.63 1ii8 h LYS 860 CO -0.00 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 176.93 1ii8 n ASP 861 N -3.24 3.09 -0.08 4.20 10.43 -1.14 -4.29 116.55 125.52 1ii8 n ASP 861 Ca 0.12 -1.93 -0.08 0.00 2.57 0.00 0.00 54.79 55.47 1ii8 n ASP 861 Cb 1.04 -0.13 -0.12 0.00 1.84 0.00 0.00 41.12 43.75 1ii8 n ASP 861 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1ii8 n ALA 862 N 1.29 1.61 -1.77 2.24 0.00 -0.58 -4.97 120.51 118.33 1ii8 n ALA 862 Ca 0.15 -1.03 -0.39 0.00 0.00 0.00 0.00 53.44 52.18 1ii8 n ALA 862 Cb 0.56 -0.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.89 1ii8 n ALA 862 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ii8 s ALA 863 N -2.38 3.25 0.05 0.00 0.00 -1.19 -4.89 121.76 116.60 1ii8 s ALA 863 Ca -0.08 0.90 -0.22 0.00 0.00 0.00 0.00 51.96 52.56 1ii8 s ALA 863 Cb 0.05 -3.34 -0.13 0.00 0.00 0.00 0.00 23.12 19.69 1ii8 s ALA 863 CO 0.64 -0.33 1.48 -0.44 0.00 0.00 0.00 175.76 177.11 1ii8 h ASP 864 N 3.05 0.21 -3.44 0.00 3.32 -1.93 -3.42 116.42 114.22 1ii8 h ASP 864 Ca -0.48 -0.31 -0.59 0.00 0.02 0.00 0.00 57.03 55.67 1ii8 h ASP 864 Cb 1.22 -0.06 -0.38 0.00 0.22 0.00 0.00 39.33 40.34 1ii8 h ASP 864 CO 0.64 0.46 -0.80 -1.00 -1.72 0.00 0.00 179.24 176.83 1ii8 s HIS 865 N -4.99 2.15 -0.17 4.55 3.76 -1.26 -4.85 115.29 114.47 1ii8 s HIS 865 Ca -0.14 -1.45 -0.19 0.00 -0.15 0.00 0.00 55.06 53.13 1ii8 s HIS 865 Cb 0.05 -1.51 -0.03 0.00 1.11 0.00 0.00 32.58 32.20 1ii8 s HIS 865 CO 0.71 -0.71 0.51 0.08 -0.85 0.00 0.00 174.74 174.48 1ii8 s VAL 866 N 1.48 5.13 -0.31 -0.90 1.01 -1.26 -4.96 120.40 120.59 1ii8 s VAL 866 Ca -0.02 0.97 -0.01 0.00 0.00 0.00 0.00 61.98 62.92 1ii8 s VAL 866 Cb -0.17 -3.84 0.10 0.00 0.00 0.00 0.00 36.38 32.48 1ii8 s VAL 866 CO -0.08 0.22 0.12 -0.63 0.00 0.00 0.00 175.10 174.73 1ii8 s ILE 867 N 1.31 0.68 -0.07 2.22 1.01 -1.26 -1.85 121.20 123.24 1ii8 s ILE 867 Ca 0.25 -1.35 -0.25 0.00 0.00 0.00 0.00 60.65 59.30 1ii8 s ILE 867 Cb -0.15 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 1ii8 s ILE 867 CO 0.10 -0.71 0.80 -0.60 0.00 0.00 0.00 174.94 174.52 1ii8 s ARG 868 N 1.62 4.44 0.32 2.79 3.52 -0.14 -4.90 118.95 126.60 1ii8 s ARG 868 Ca 0.10 1.05 0.09 0.00 -0.13 0.00 0.00 55.73 56.84 1ii8 s ARG 868 Cb -0.18 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 29.70 1ii8 s ARG 868 CO -0.25 -0.04 0.09 0.42 -0.81 0.00 0.00 175.30 174.71 1ii8 s ILE 869 N 1.10 3.12 -0.28 4.11 1.01 -1.26 0.25 121.20 129.25 1ii8 s ILE 869 Ca 0.41 -1.78 -0.23 0.00 0.00 0.00 0.00 60.65 59.06 1ii8 s ILE 869 Cb -0.18 -2.93 0.12 0.00 0.01 0.00 0.00 42.46 39.47 1ii8 s ILE 869 CO 0.20 -0.24 0.98 -0.94 0.00 0.00 0.00 174.94 174.94 1ii8 s SER 870 N -3.78 -0.51 -0.87 3.58 1.04 -0.75 -4.96 113.70 107.45 1ii8 s SER 870 Ca 0.36 0.93 -0.25 0.00 0.48 0.00 0.00 55.95 57.47 1ii8 s SER 870 Cb -0.03 1.01 0.01 0.00 0.10 0.00 0.00 66.02 67.11 1ii8 s SER 870 CO 0.22 -0.16 1.58 -0.22 0.98 0.00 0.00 173.24 175.63 1ii8 s LEU 871 N 0.52 3.32 -0.40 2.42 2.96 -1.26 -1.52 118.68 124.72 1ii8 s LEU 871 Ca 0.00 -0.80 -0.09 0.00 -0.22 0.00 0.00 54.13 53.02 1ii8 s LEU 871 Cb -0.05 -2.56 0.06 0.00 0.50 0.00 0.00 46.19 44.15 1ii8 s LEU 871 CO -0.08 -1.98 0.22 -0.70 -1.32 0.00 0.00 176.35 172.49 1ii8 s GLU 872 N 5.89 2.62 -0.67 1.98 2.12 -1.01 -4.72 118.70 124.90 1ii8 s GLU 872 Ca 0.52 -1.36 -0.04 0.00 0.36 0.00 0.00 54.97 54.44 1ii8 s GLU 872 Cb -0.05 -3.70 0.01 0.00 0.26 0.00 0.00 34.13 30.64 1ii8 s GLU 872 CO 0.02 -0.87 0.67 -1.71 -0.54 0.00 0.00 175.26 172.84 1ii8 n ASN 873 N 4.90 -7.68 0.00 -1.70 5.15 -1.26 -3.87 115.26 110.80 1ii8 n ASN 873 Ca -0.10 0.02 0.00 0.00 -0.60 0.00 0.00 54.58 53.90 1ii8 n ASN 873 Cb 0.44 -5.12 0.00 0.00 -0.53 0.00 0.00 39.78 34.56 1ii8 n ASN 873 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ii8 n GLY 874 N -1.42 0.48 3.79 8.20 0.00 -1.26 -4.84 105.19 110.13 1ii8 n GLY 874 Ca 0.01 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1ii8 n GLY 874 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ii8 s SER 875 N 0.00 6.28 0.22 1.61 1.04 -1.25 -4.98 113.70 116.61 1ii8 s SER 875 Ca 0.00 2.02 -0.20 0.00 0.48 0.00 0.00 55.95 58.25 1ii8 s SER 875 Cb 0.00 -2.57 -0.08 0.00 0.10 0.00 0.00 66.02 63.47 1ii8 s SER 875 CO 0.00 -0.83 0.73 -0.44 0.98 0.00 0.00 173.24 173.68 1ii8 s SER 876 N -1.83 7.08 -0.02 7.02 0.01 -1.26 -2.41 113.70 122.29 1ii8 s SER 876 Ca 0.67 1.44 0.07 0.00 1.31 0.00 0.00 55.95 59.44 1ii8 s SER 876 Cb -0.19 -2.43 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 1ii8 s SER 876 CO 0.23 0.05 -0.24 -0.75 0.41 0.00 0.00 173.24 172.94 1ii8 s LYS 877 N -1.91 1.98 -0.28 12.44 2.20 -0.57 -4.91 119.74 128.69 1ii8 s LYS 877 Ca 0.42 -0.87 -0.07 0.00 -0.36 0.00 0.00 55.97 55.09 1ii8 s LYS 877 Cb -0.17 -1.91 -0.00 0.00 -1.51 0.00 0.00 37.83 34.23 1ii8 s LYS 877 CO 0.21 0.52 0.08 0.08 -0.36 0.00 0.00 175.35 175.88 1ii8 s VAL 878 N -0.56 4.09 -0.25 4.02 1.01 -1.26 -1.80 120.40 125.65 1ii8 s VAL 878 Ca 0.09 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 1ii8 s VAL 878 Cb -0.09 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.26 1ii8 s VAL 878 CO -0.01 0.17 -0.04 -0.70 0.00 0.00 0.00 175.10 174.52 1ii8 s GLU 879 N 1.54 3.04 0.81 2.72 2.12 0.14 -5.00 118.70 124.07 1ii8 s GLU 879 Ca 0.04 -0.85 -0.12 0.00 0.36 0.00 0.00 54.97 54.40 1ii8 s GLU 879 Cb -0.16 -3.04 0.08 0.00 0.26 0.00 0.00 34.13 31.27 1ii8 s GLU 879 CO 0.03 -0.34 1.11 0.54 -0.54 0.00 0.00 175.26 176.06 1ii8 s VAL 880 N 1.40 2.77 0.00 3.70 0.11 -1.26 -0.97 120.40 126.14 1ii8 s VAL 880 Ca 0.02 0.25 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 1ii8 s VAL 880 Cb -0.16 -3.06 0.00 0.00 -1.53 0.00 0.00 36.38 31.63 1ii8 s VAL 880 CO -0.03 -0.33 0.00 0.52 -3.33 0.00 0.00 175.10 171.93 1ii8 n VAL 881 N -3.44 0.00 -1.07 2.04 0.31 -0.77 -4.81 118.33 110.59 1ii8 n VAL 881 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1ii8 n VAL 881 Cb 0.58 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 1ii8 n VAL 881 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97