#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wum s SER 716 N 0.00 4.91 -0.83 1.61 0.15 -1.26 -5.04 113.70 113.24 1wum s SER 716 Ca 0.00 -0.97 0.01 0.00 0.70 0.00 0.00 55.95 55.69 1wum s SER 716 Cb 0.00 0.04 0.34 0.00 -1.71 0.00 0.00 66.02 64.69 1wum s SER 716 CO 0.00 -1.01 1.57 1.57 1.20 0.00 0.00 173.24 176.57 1wum n HIS 717 N -1.81 3.20 -4.29 3.44 -0.00 -1.26 -5.00 115.22 109.50 1wum n HIS 717 Ca 0.04 -2.94 -0.24 0.00 -0.00 0.00 0.00 57.72 54.58 1wum n HIS 717 Cb 0.63 -0.92 -0.12 0.00 -0.00 0.00 0.00 29.99 29.58 1wum n HIS 717 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1wum s MET 718 N -4.00 1.14 -0.03 1.57 1.00 -1.26 -5.04 119.30 112.68 1wum s MET 718 Ca 0.45 -1.18 0.20 0.00 0.00 0.00 0.00 55.69 55.15 1wum s MET 718 Cb 0.27 -1.39 0.34 0.00 0.00 0.00 0.00 34.83 34.05 1wum s MET 718 CO -0.19 0.32 1.14 0.45 0.00 0.00 0.00 175.02 176.74 1wum n SER 719 N 1.02 0.54 -2.71 3.03 2.88 -1.26 -4.97 113.62 112.15 1wum n SER 719 Ca -0.19 -2.01 -0.06 0.00 -1.33 0.00 0.00 58.87 55.28 1wum n SER 719 Cb 0.54 -0.16 0.06 0.00 -0.75 0.00 0.00 64.21 63.90 1wum n SER 719 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1wum n LYS 720 N 0.26 0.47 -2.70 -1.46 0.00 -1.26 -3.81 118.16 109.66 1wum n LYS 720 Ca -0.02 -1.28 -0.06 0.00 0.00 0.00 0.00 58.31 56.95 1wum n LYS 720 Cb 1.02 -0.89 0.09 0.00 0.00 0.00 0.00 35.03 35.24 1wum n LYS 720 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1wum n GLU 721 N 1.70 0.52 -1.09 1.64 1.02 -1.26 -4.99 120.64 118.18 1wum n GLU 721 Ca 0.06 -1.25 -0.29 0.00 -0.02 0.00 0.00 57.16 55.66 1wum n GLU 721 Cb 0.66 -0.64 -0.05 0.00 -0.02 0.00 0.00 31.44 31.38 1wum n GLU 721 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1wum n PRO 722 N 0.81 2.94 -0.02 3.49 -0.04 -1.26 -4.56 135.00 136.36 1wum n PRO 722 Ca 0.01 -1.76 -0.01 0.00 -0.04 0.00 0.00 63.50 61.71 1wum n PRO 722 Cb 0.71 -2.54 -0.00 0.00 -0.04 0.00 0.00 33.50 31.63 1wum n PRO 722 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wum h ARG 723 N 4.94 0.00 -6.58 0.54 2.47 -1.95 -3.44 114.38 110.35 1wum h ARG 723 Ca 0.65 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.78 1wum h ARG 723 Cb 0.48 0.00 0.12 0.00 -1.65 0.00 0.00 29.97 28.91 1wum h ARG 723 CO 1.39 0.00 0.22 -0.25 0.56 0.00 0.00 179.97 181.89 1wum n ASP 724 N -3.16 1.59 -0.06 7.04 9.92 -1.26 -4.82 116.55 125.80 1wum n ASP 724 Ca -0.01 1.14 -0.15 0.00 -0.53 0.00 0.00 54.79 55.24 1wum n ASP 724 Cb 0.04 -1.35 -0.06 0.00 -0.64 0.00 0.00 41.12 39.11 1wum n ASP 724 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1wum h PRO 725 N 1.97 0.64 -0.81 -0.24 0.13 -1.90 -0.97 132.00 130.82 1wum h PRO 725 Ca -0.42 -0.41 0.10 0.00 -0.87 0.00 0.00 66.00 64.40 1wum h PRO 725 Cb 1.33 0.05 -0.08 0.00 0.13 0.00 0.00 31.00 32.43 1wum h PRO 725 CO 0.60 1.03 0.45 -0.44 -0.23 0.00 0.00 178.00 179.40 1wum h ASP 726 N 0.32 0.62 0.13 1.44 3.32 -1.99 1.30 116.42 121.57 1wum h ASP 726 Ca 0.01 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1wum h ASP 726 Cb 1.01 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.50 1wum h ASP 726 CO 0.09 0.35 -0.06 -0.61 -1.72 0.00 0.00 179.24 177.28 1wum h GLN 727 N 0.74 -0.17 0.00 3.56 -0.00 -1.92 -3.14 115.11 114.18 1wum h GLN 727 Ca 0.40 0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 59.06 1wum h GLN 727 Cb 0.40 0.04 -0.00 0.00 0.00 0.00 0.00 27.48 27.92 1wum h GLN 727 CO -0.26 0.30 -0.01 1.25 0.00 0.00 0.00 178.83 180.10 1wum h LEU 728 N -0.78 0.00 0.00 -2.39 5.85 -0.82 -1.92 115.31 115.25 1wum h LEU 728 Ca -0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1wum h LEU 728 Cb 0.54 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1wum h LEU 728 CO 0.03 0.01 0.00 0.00 -0.34 0.00 0.00 178.44 178.14 1wum n TYR 729 N -4.22 0.00 0.23 1.25 9.36 0.44 -1.15 117.16 123.07 1wum n TYR 729 Ca -0.03 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.25 1wum n TYR 729 Cb 0.10 -0.40 0.53 0.00 -0.63 0.00 0.00 39.34 38.94 1wum n TYR 729 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1wum h SER 730 N 0.00 0.00 -0.50 2.98 0.87 -1.61 -1.86 113.55 113.43 1wum h SER 730 Ca 0.00 0.00 0.09 0.00 -1.23 0.00 0.00 61.79 60.65 1wum h SER 730 Cb 0.00 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 61.89 1wum h SER 730 CO 0.00 0.17 0.08 0.74 -0.53 0.00 0.00 176.83 177.29 1wum h THR 731 N 0.00 0.70 -0.26 2.23 2.02 -0.90 0.26 112.91 116.96 1wum h THR 731 Ca -0.00 -0.07 -0.16 0.00 0.77 0.00 0.00 66.41 66.95 1wum h THR 731 Cb 0.31 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1wum h THR 731 CO 0.02 0.04 -0.45 -0.07 0.37 0.00 0.00 175.52 175.43 1wum h LEU 732 N 0.22 0.84 -0.84 2.58 3.38 -0.66 -2.75 115.31 118.07 1wum h LEU 732 Ca 0.25 -0.53 0.17 0.00 0.09 0.00 0.00 57.88 57.86 1wum h LEU 732 Cb 0.35 -0.24 -0.10 0.00 0.09 0.00 0.00 40.66 40.75 1wum h LEU 732 CO -0.34 1.21 0.38 0.50 0.09 0.00 0.00 178.44 180.28 1wum h LYS 733 N 0.50 0.48 -0.31 1.13 3.64 -0.39 0.36 116.57 121.98 1wum h LYS 733 Ca 0.02 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1wum h LYS 733 Cb 1.05 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 1wum h LYS 733 CO 0.10 0.32 0.05 0.77 -2.27 0.00 0.00 179.45 178.42 1wum h SER 734 N 0.50 0.50 0.90 4.20 0.02 -0.43 0.44 113.55 119.66 1wum h SER 734 Ca 0.48 -0.26 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 1wum h SER 734 Cb 0.78 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 63.20 1wum h SER 734 CO -0.43 0.63 -0.43 0.40 -1.14 0.00 0.00 176.83 175.86 1wum h ILE 735 N 0.34 0.09 -0.74 3.27 2.04 -0.67 -0.81 117.51 121.03 1wum h ILE 735 Ca 0.09 -0.04 0.08 0.00 1.00 0.00 0.00 64.86 66.00 1wum h ILE 735 Cb 0.35 0.09 -0.07 0.00 -0.74 0.00 0.00 36.82 36.46 1wum h ILE 735 CO 0.01 0.00 0.40 0.25 0.00 0.00 0.00 178.15 178.81 1wum h LEU 736 N -1.24 0.56 -0.88 1.44 5.85 -0.39 0.31 115.31 120.96 1wum h LEU 736 Ca -0.12 0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.75 1wum h LEU 736 Cb 0.93 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.82 1wum h LEU 736 CO 0.20 0.33 0.52 1.56 -0.34 0.00 0.00 178.44 180.72 1wum h GLN 737 N 0.70 0.83 -0.03 1.25 1.08 0.10 0.43 115.11 119.46 1wum h GLN 737 Ca 0.35 -0.05 -0.09 0.00 -1.45 0.00 0.00 58.65 57.42 1wum h GLN 737 Cb 0.32 -0.19 0.01 0.00 -0.05 0.00 0.00 27.48 27.56 1wum h GLN 737 CO -0.24 0.55 -0.33 1.96 -0.95 0.00 0.00 178.83 179.82 1wum h GLN 738 N 0.85 0.27 -0.67 1.46 1.08 0.38 -2.23 115.11 116.25 1wum h GLN 738 Ca 0.43 -0.25 0.17 0.00 -1.45 0.00 0.00 58.65 57.55 1wum h GLN 738 Cb 0.41 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.87 1wum h GLN 738 CO -0.26 0.94 0.47 0.28 -0.95 0.00 0.00 178.83 179.31 1wum h VAL 739 N -0.30 0.72 0.20 -0.54 2.07 0.11 1.09 116.25 119.60 1wum h VAL 739 Ca -0.03 -0.05 -0.32 0.00 0.82 0.00 0.00 66.70 67.11 1wum h VAL 739 Cb 1.03 0.56 0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1wum h VAL 739 CO 0.07 0.03 -1.38 0.50 0.02 0.00 0.00 177.57 176.80 1wum h LYS 740 N 0.15 0.58 0.00 1.57 3.64 -0.88 -3.26 116.57 118.38 1wum h LYS 740 Ca 0.33 -0.89 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 1wum h LYS 740 Cb 1.07 0.32 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1wum h LYS 740 CO -0.05 1.42 -0.15 0.45 -2.27 0.00 0.00 179.45 178.84 1wum n SER 741 N -3.75 0.48 -4.77 4.20 2.88 -0.21 -4.85 113.62 107.60 1wum n SER 741 Ca -0.15 0.38 -0.40 0.00 -1.33 0.00 0.00 58.87 57.37 1wum n SER 741 Cb 1.05 -0.42 0.01 0.00 -0.75 0.00 0.00 64.21 64.10 1wum n SER 741 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1wum s HIS 742 N -3.06 2.46 0.32 0.66 2.46 0.36 -4.86 115.29 113.63 1wum s HIS 742 Ca 0.11 1.22 0.07 0.00 0.47 0.00 0.00 55.06 56.93 1wum s HIS 742 Cb 0.15 -3.98 0.74 0.00 -0.13 0.00 0.00 32.58 29.37 1wum s HIS 742 CO 0.60 -3.04 1.83 0.37 -2.47 0.00 0.00 174.74 172.03 1wum h GLN 743 N 2.50 0.76 -4.39 2.88 -0.00 -1.89 -3.20 115.11 111.76 1wum h GLN 743 Ca -0.51 -0.05 -0.75 0.00 -0.00 0.00 0.00 58.65 57.35 1wum h GLN 743 Cb 1.26 -0.17 -0.21 0.00 0.00 0.00 0.00 27.48 28.35 1wum h GLN 743 CO 0.62 0.50 0.83 -1.54 0.00 0.00 0.00 178.83 179.24 1wum s SER 744 N -5.61 6.99 -0.07 -0.69 1.04 -1.26 -4.53 113.70 109.58 1wum s SER 744 Ca -0.11 -2.89 0.03 0.00 0.48 0.00 0.00 55.95 53.46 1wum s SER 744 Cb 0.23 -2.33 0.08 0.00 0.10 0.00 0.00 66.02 64.11 1wum s SER 744 CO 0.80 -0.68 0.82 0.00 0.98 0.00 0.00 173.24 175.17 1wum n ALA 745 N 4.88 1.79 -0.09 5.32 0.00 -1.21 -4.54 120.51 126.65 1wum n ALA 745 Ca 0.27 -0.52 -0.18 0.00 0.00 0.00 0.00 53.44 53.02 1wum n ALA 745 Cb 0.44 -0.43 -0.12 0.00 0.00 0.00 0.00 19.45 19.34 1wum n ALA 745 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1wum h TRP 746 N 0.20 0.00 0.00 0.00 6.55 -1.87 -3.08 115.95 117.75 1wum h TRP 746 Ca -0.36 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.48 1wum h TRP 746 Cb 1.13 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.43 1wum h TRP 746 CO -0.13 1.21 0.00 -1.35 -1.05 0.00 0.00 178.44 177.13 1wum h PRO 747 N -1.00 0.00 0.00 0.49 0.11 -1.94 -1.82 132.00 127.84 1wum h PRO 747 Ca -0.17 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.66 1wum h PRO 747 Cb 1.13 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 1wum h PRO 747 CO -0.10 0.00 -2.28 1.19 -0.21 0.00 0.00 178.00 176.60 1wum n PHE 748 N -2.34 0.00 0.01 0.65 3.72 -1.26 -4.38 117.46 113.87 1wum n PHE 748 Ca -0.01 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.28 1wum n PHE 748 Cb 0.07 -0.87 -0.06 0.00 -0.94 0.00 0.00 39.48 37.68 1wum n PHE 748 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1wum h MET 749 N 0.00 -0.00 -5.65 -1.08 2.86 -1.23 0.11 114.93 109.93 1wum h MET 749 Ca -0.43 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 56.62 1wum h MET 749 Cb 1.96 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 33.54 1wum h MET 749 CO 0.02 -0.00 -0.29 -2.00 1.06 0.00 0.00 176.91 175.70 1wum s GLU 750 N -6.19 4.11 0.08 1.72 2.12 -1.15 -3.50 118.70 115.90 1wum s GLU 750 Ca -0.13 0.19 -0.31 0.00 0.36 0.00 0.00 54.97 55.08 1wum s GLU 750 Cb 0.07 -3.36 -0.08 0.00 0.26 0.00 0.00 34.13 31.02 1wum s GLU 750 CO 0.67 0.38 1.59 -1.25 -0.54 0.00 0.00 175.26 176.10 1wum s PRO 751 N 0.01 4.22 -0.19 4.30 0.04 -1.26 -4.85 135.00 137.28 1wum s PRO 751 Ca 0.19 2.27 -0.29 0.00 0.04 0.00 0.00 61.00 63.21 1wum s PRO 751 Cb -0.14 -3.51 -0.00 0.00 0.04 0.00 0.00 34.50 30.89 1wum s PRO 751 CO 0.07 -0.68 1.08 0.08 0.04 0.00 0.00 177.00 177.60 1wum s VAL 752 N 2.29 4.60 0.00 -0.36 1.01 -1.26 -5.02 120.40 121.65 1wum s VAL 752 Ca 0.71 1.92 0.00 0.00 0.00 0.00 0.00 61.98 64.61 1wum s VAL 752 Cb -0.39 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 31.75 1wum s VAL 752 CO 0.31 -0.13 0.00 1.17 0.00 0.00 0.00 175.10 176.45 1wum n LYS 753 N 6.07 -0.81 -0.84 2.72 4.81 -1.26 -4.88 118.16 123.96 1wum n LYS 753 Ca 0.12 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.52 1wum n LYS 753 Cb 0.46 0.00 0.26 0.00 0.02 0.00 0.00 35.03 35.77 1wum n LYS 753 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1wum n ARG 754 N -1.35 2.95 0.06 1.64 1.85 -1.26 -4.62 116.66 115.93 1wum n ARG 754 Ca 0.00 -3.05 0.00 0.00 -1.00 0.00 0.00 57.85 53.80 1wum n ARG 754 Cb 0.00 -2.02 0.00 0.00 -1.05 0.00 0.00 32.46 29.39 1wum n ARG 754 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1wum n THR 755 N -0.57 0.05 0.15 8.89 -2.24 -1.26 -4.52 114.28 114.77 1wum n THR 755 Ca 0.36 0.02 0.17 0.00 -2.27 0.00 0.00 64.05 62.33 1wum n THR 755 Cb 1.20 -0.60 0.61 0.00 -2.10 0.00 0.00 70.33 69.44 1wum n THR 755 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1wum h GLU 756 N 0.00 0.00 -6.13 -0.78 4.11 -1.96 -3.40 114.58 106.42 1wum h GLU 756 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.36 58.84 1wum h GLU 756 Cb 0.06 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 1wum h GLU 756 CO 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 179.01 178.79 1wum s ALA 757 N -4.33 3.77 -1.00 1.06 0.00 -1.26 -4.95 121.76 115.04 1wum s ALA 757 Ca -0.03 -0.49 -0.26 0.00 0.00 0.00 0.00 51.96 51.18 1wum s ALA 757 Cb 0.11 -2.18 -0.21 0.00 0.00 0.00 0.00 23.12 20.83 1wum s ALA 757 CO 0.37 0.63 2.17 -0.35 0.00 0.00 0.00 175.76 178.57 1wum n PRO 758 N 0.48 0.20 -2.21 0.00 -0.04 -1.26 -4.17 135.00 127.99 1wum n PRO 758 Ca -0.05 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 61.95 1wum n PRO 758 Cb 0.52 -3.82 0.00 0.00 -0.04 0.00 0.00 33.50 30.16 1wum n PRO 758 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wum n GLY 759 N 6.27 -5.57 1.07 0.55 0.00 -1.26 -4.86 105.19 101.39 1wum n GLY 759 Ca 0.42 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1wum n GLY 759 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wum n TYR 760 N 1.65 -0.05 0.31 1.61 4.19 -1.26 -4.44 117.16 119.17 1wum n TYR 760 Ca 0.00 0.01 0.16 0.00 3.31 0.00 0.00 57.90 61.38 1wum n TYR 760 Cb 0.00 0.03 0.88 0.00 0.49 0.00 0.00 39.34 40.74 1wum n TYR 760 CO 0.00 0.00 0.00 -0.92 0.91 0.00 0.00 176.86 176.85 1wum h TYR 761 N 0.00 0.00 0.00 2.98 5.03 -1.82 0.72 116.97 123.89 1wum h TYR 761 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1wum h TYR 761 Cb 0.62 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.90 1wum h TYR 761 CO 0.00 0.00 -0.25 0.39 -1.32 0.00 0.00 178.16 176.98 1wum n GLU 762 N -2.83 0.21 0.24 1.82 1.02 -1.26 -4.42 120.64 115.41 1wum n GLU 762 Ca -0.02 0.36 0.08 0.00 -0.02 0.00 0.00 57.16 57.55 1wum n GLU 762 Cb 0.27 -1.16 0.58 0.00 -0.02 0.00 0.00 31.44 31.11 1wum n GLU 762 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1wum h VAL 763 N -0.45 0.96 -3.70 2.62 -1.51 -1.76 -3.39 116.25 109.02 1wum h VAL 763 Ca 0.00 -0.58 -0.65 0.00 -1.23 0.00 0.00 66.70 64.24 1wum h VAL 763 Cb 0.25 1.33 -0.16 0.00 -2.13 0.00 0.00 31.29 30.57 1wum h VAL 763 CO 0.00 0.16 -0.27 -0.63 -1.23 0.00 0.00 177.57 175.60 1wum s ILE 764 N -4.52 5.17 -0.15 7.19 -1.09 0.24 -4.91 121.20 123.12 1wum s ILE 764 Ca -0.04 0.26 0.22 0.00 -2.23 0.00 0.00 60.65 58.86 1wum s ILE 764 Cb 0.15 -3.77 -0.25 0.00 -1.58 0.00 0.00 42.46 37.01 1wum s ILE 764 CO 0.66 0.01 0.66 -1.14 -1.23 0.00 0.00 174.94 173.89 1wum n ARG 765 N 5.37 0.59 -3.43 2.79 0.63 -1.26 -4.62 116.66 116.74 1wum n ARG 765 Ca -0.09 -0.11 -0.26 0.00 -0.92 0.00 0.00 57.85 56.47 1wum n ARG 765 Cb 0.50 -1.59 -0.09 0.00 0.45 0.00 0.00 32.46 31.73 1wum n ARG 765 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1wum n PHE 766 N -2.30 0.77 -1.58 -0.14 3.72 -1.26 -5.10 117.46 111.57 1wum n PHE 766 Ca -0.02 -3.71 -0.46 0.00 -0.05 0.00 0.00 57.45 53.21 1wum n PHE 766 Cb 0.55 -0.23 -0.02 0.00 -0.94 0.00 0.00 39.48 38.84 1wum n PHE 766 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1wum n PRO 767 N 1.90 1.29 -3.64 -1.08 -0.02 -1.26 -4.95 135.00 127.24 1wum n PRO 767 Ca 0.25 0.46 -0.10 0.00 -2.02 0.00 0.00 63.50 62.09 1wum n PRO 767 Cb 0.46 -1.85 -0.07 0.00 -0.02 0.00 0.00 33.50 32.02 1wum n PRO 767 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1wum s MET 768 N -1.23 0.75 0.05 -0.52 1.75 -1.26 -5.08 119.30 113.77 1wum s MET 768 Ca 0.62 1.14 -0.05 0.00 -1.25 0.00 0.00 55.69 56.15 1wum s MET 768 Cb -0.74 0.24 -0.01 0.00 2.84 0.00 0.00 34.83 37.15 1wum s MET 768 CO 0.58 -0.13 0.09 -0.51 -0.65 0.00 0.00 175.02 174.39 1wum s ASP 769 N 1.17 0.22 0.58 1.11 1.01 -1.26 -4.48 116.67 115.02 1wum s ASP 769 Ca -0.06 -0.63 0.28 0.00 0.71 0.00 0.00 52.55 52.84 1wum s ASP 769 Cb -0.05 0.24 1.63 0.00 1.01 0.00 0.00 42.92 45.75 1wum s ASP 769 CO -0.12 -0.55 2.12 -0.07 0.21 0.00 0.00 175.17 176.75 1wum h LEU 770 N 3.46 0.00 -1.97 1.23 3.38 -1.07 -0.67 115.31 119.67 1wum h LEU 770 Ca -0.33 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.71 1wum h LEU 770 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1wum h LEU 770 CO 0.54 0.00 0.18 0.50 0.09 0.00 0.00 178.44 179.75 1wum h LYS 771 N 0.00 0.04 0.00 1.13 1.63 -1.54 -2.65 116.57 115.18 1wum h LYS 771 Ca 0.08 -0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.63 1wum h LYS 771 Cb 0.43 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.00 1wum h LYS 771 CO -0.00 0.03 -2.23 2.41 -3.45 0.00 0.00 179.45 176.20 1wum n THR 772 N -4.47 0.92 0.22 1.00 -1.04 -0.30 -4.14 114.28 106.47 1wum n THR 772 Ca 0.03 -0.73 -0.09 0.00 -2.04 0.00 0.00 64.05 61.23 1wum n THR 772 Cb 0.31 -0.32 -0.04 0.00 -1.82 0.00 0.00 70.33 68.46 1wum n THR 772 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 1wum h MET 773 N 0.00 -0.54 -0.77 -2.82 2.86 -1.09 -1.51 114.93 111.06 1wum h MET 773 Ca -0.37 0.04 0.18 0.00 -2.06 0.00 0.00 59.70 57.49 1wum h MET 773 Cb 1.82 0.12 -0.05 0.00 0.06 0.00 0.00 31.60 33.56 1wum h MET 773 CO 0.02 -0.36 0.53 0.66 1.06 0.00 0.00 176.91 178.81 1wum h SER 774 N -0.56 0.25 -0.44 1.22 4.64 -1.78 0.36 113.55 117.25 1wum h SER 774 Ca -0.06 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.27 1wum h SER 774 Cb 0.44 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 1wum h SER 774 CO 0.08 0.12 0.22 -0.33 -0.87 0.00 0.00 176.83 176.05 1wum h GLU 775 N 0.26 0.66 0.16 4.77 5.08 -1.62 -1.51 114.58 122.38 1wum h GLU 775 Ca 0.38 -0.08 -0.29 0.00 -1.00 0.00 0.00 59.36 58.38 1wum h GLU 775 Cb 1.11 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 30.24 1wum h GLU 775 CO -0.09 0.52 -1.39 0.00 -1.00 0.00 0.00 179.01 177.05 1wum h ARG 776 N 0.66 0.35 -0.58 2.33 3.08 0.64 -3.35 114.38 117.52 1wum h ARG 776 Ca 0.17 -0.59 0.10 0.00 0.07 0.00 0.00 59.98 59.73 1wum h ARG 776 Cb 0.08 0.22 -0.08 0.00 0.08 0.00 0.00 29.97 30.27 1wum h ARG 776 CO -0.02 1.28 0.13 1.25 -1.07 0.00 0.00 179.97 181.54 1wum h LEU 777 N -0.14 0.02 -1.77 3.04 7.12 -0.64 0.12 115.31 123.06 1wum h LEU 777 Ca -0.27 0.10 0.27 0.00 0.13 0.00 0.00 57.88 58.11 1wum h LEU 777 Cb 1.89 0.14 -0.06 0.00 -0.53 0.00 0.00 40.66 42.10 1wum h LEU 777 CO 0.15 0.03 0.69 0.11 -0.13 0.00 0.00 178.44 179.28 1wum h LYS 778 N 0.27 0.16 -0.68 1.25 1.79 -1.40 0.52 116.57 118.46 1wum h LYS 778 Ca 0.30 -0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 58.67 1wum h LYS 778 Cb 0.43 -0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 30.99 1wum h LYS 778 CO -0.37 0.10 0.11 -1.71 -1.08 0.00 0.00 179.45 176.50 1wum n ASN 779 N -4.37 5.12 -3.70 0.86 5.15 -0.00 -4.92 115.26 113.39 1wum n ASN 779 Ca 0.22 -2.99 -0.23 0.00 -0.60 0.00 0.00 54.58 50.98 1wum n ASN 779 Cb 0.96 -0.70 0.03 0.00 -0.53 0.00 0.00 39.78 39.53 1wum n ASN 779 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1wum n ARG 780 N 0.29 -3.94 0.01 1.20 1.74 0.18 -4.89 116.66 111.25 1wum n ARG 780 Ca 0.31 0.58 -0.06 0.00 -0.77 0.00 0.00 57.85 57.92 1wum n ARG 780 Cb 1.22 -4.97 -0.11 0.00 -1.02 0.00 0.00 32.46 27.58 1wum n ARG 780 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1wum h TYR 781 N -1.81 0.00 -3.26 -1.55 5.03 -1.63 -3.42 116.97 110.32 1wum h TYR 781 Ca -0.62 0.00 -0.75 0.00 2.58 0.00 0.00 58.73 59.93 1wum h TYR 781 Cb 1.36 0.00 -0.26 0.00 1.55 0.00 0.00 36.73 39.38 1wum h TYR 781 CO 0.44 0.86 -0.22 0.71 -1.32 0.00 0.00 178.16 178.63 1wum s TYR 782 N -2.72 3.37 -0.42 -3.82 2.02 -1.26 -4.92 117.35 109.61 1wum s TYR 782 Ca -0.03 -1.57 0.11 0.00 -0.37 0.00 0.00 57.07 55.21 1wum s TYR 782 Cb 0.08 -3.72 0.35 0.00 -0.40 0.00 0.00 41.96 38.28 1wum s TYR 782 CO 0.82 -1.01 0.79 1.33 -1.57 0.00 0.00 175.55 175.92 1wum n VAL 783 N 4.94 0.64 0.00 0.71 0.24 -1.26 -4.69 118.33 118.91 1wum n VAL 783 Ca -0.08 -4.75 0.00 0.00 -2.04 0.00 0.00 64.34 57.47 1wum n VAL 783 Cb 0.41 -0.49 0.00 0.00 -1.47 0.00 0.00 33.84 32.30 1wum n VAL 783 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1wum n SER 784 N 0.14 0.00 0.00 -1.34 2.88 -1.26 -4.83 113.62 109.21 1wum n SER 784 Ca 0.26 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1wum n SER 784 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1wum n SER 784 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1wum n LYS 785 N -0.55 0.00 0.22 -1.46 4.81 -1.26 -4.83 118.16 115.10 1wum n LYS 785 Ca 0.00 0.00 0.16 0.00 -0.87 0.00 0.00 58.31 57.60 1wum n LYS 785 Cb 0.00 0.00 0.66 0.00 0.02 0.00 0.00 35.03 35.71 1wum n LYS 785 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1wum h LYS 786 N 0.00 0.00 0.37 1.64 3.64 -1.97 -2.50 116.57 117.75 1wum h LYS 786 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1wum h LYS 786 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1wum h LYS 786 CO 0.00 0.00 -0.24 -0.07 -2.27 0.00 0.00 179.45 176.87 1wum h LEU 787 N 0.00 -0.61 -0.43 5.20 3.38 -1.99 0.64 115.31 121.50 1wum h LEU 787 Ca 0.00 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1wum h LEU 787 Cb 0.38 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1wum h LEU 787 CO 0.00 -0.36 -0.24 0.15 0.09 0.00 0.00 178.44 178.08 1wum h PHE 788 N -0.57 1.06 -0.57 1.13 3.57 -1.89 -2.54 116.94 117.13 1wum h PHE 788 Ca -0.05 -0.27 -0.01 0.00 3.53 0.00 0.00 57.97 61.17 1wum h PHE 788 Cb 0.46 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 1wum h PHE 788 CO -0.02 1.08 0.32 1.98 -2.23 0.00 0.00 178.31 179.44 1wum h MET 789 N 0.74 0.77 -0.07 1.11 4.05 -1.42 -2.13 114.93 117.98 1wum h MET 789 Ca 0.09 -0.07 -0.02 0.00 -0.28 0.00 0.00 59.70 59.42 1wum h MET 789 Cb 0.82 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 31.45 1wum h MET 789 CO 0.07 0.55 -0.04 0.00 0.23 0.00 0.00 176.91 177.73 1wum h ALA 790 N 1.58 0.10 0.43 0.39 0.00 0.48 -2.44 119.26 119.80 1wum h ALA 790 Ca 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1wum h ALA 790 Cb -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1wum h ALA 790 CO -0.04 -0.14 -0.47 -0.44 0.00 0.00 0.00 179.25 178.16 1wum h ASP 791 N -0.23 -1.30 -0.38 0.00 5.19 -1.15 0.30 116.42 118.85 1wum h ASP 791 Ca 0.02 0.11 0.08 0.00 -0.62 0.00 0.00 57.03 56.62 1wum h ASP 791 Cb 0.49 0.44 -0.09 0.00 0.18 0.00 0.00 39.33 40.35 1wum h ASP 791 CO 0.01 -0.62 -0.24 0.25 -3.12 0.00 0.00 179.24 175.52 1wum h LEU 792 N -0.92 -0.82 -0.79 1.55 7.12 -0.58 0.15 115.31 121.02 1wum h LEU 792 Ca -0.05 0.17 0.07 0.00 0.13 0.00 0.00 57.88 58.20 1wum h LEU 792 Cb 0.82 0.41 -0.06 0.00 -0.53 0.00 0.00 40.66 41.29 1wum h LEU 792 CO -0.09 -0.27 0.46 -0.61 -0.13 0.00 0.00 178.44 177.80 1wum h GLN 793 N -0.18 0.79 -0.91 1.25 4.15 -1.14 -0.85 115.11 118.22 1wum h GLN 793 Ca 0.18 -0.05 0.14 0.00 0.77 0.00 0.00 58.65 59.70 1wum h GLN 793 Cb 0.47 -0.18 -0.09 0.00 0.21 0.00 0.00 27.48 27.89 1wum h GLN 793 CO -0.49 0.52 0.52 -0.09 -1.93 0.00 0.00 178.83 177.36 1wum h ARG 794 N 0.81 0.72 0.12 1.69 2.43 0.24 0.33 114.38 120.73 1wum h ARG 794 Ca 0.36 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.48 1wum h ARG 794 Cb 0.26 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1wum h ARG 794 CO -0.21 0.48 -0.06 0.28 -1.51 0.00 0.00 179.97 178.95 1wum h VAL 795 N 0.74 1.02 0.42 0.20 2.07 -0.08 -1.99 116.25 118.64 1wum h VAL 795 Ca 0.49 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1wum h VAL 795 Cb 0.64 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1wum h VAL 795 CO -0.34 0.14 -0.20 -0.26 0.02 0.00 0.00 177.57 176.93 1wum h PHE 796 N -0.44 -0.53 -0.48 1.57 0.04 -0.98 -1.82 116.94 114.30 1wum h PHE 796 Ca -0.02 -0.01 0.10 0.00 2.80 0.00 0.00 57.97 60.84 1wum h PHE 796 Cb 0.36 0.17 -0.10 0.00 2.20 0.00 0.00 35.95 38.59 1wum h PHE 796 CO 0.02 -0.33 -0.16 1.15 -0.60 0.00 0.00 178.31 178.39 1wum h THR 797 N -1.03 0.44 -0.53 -1.55 2.02 -0.49 -0.57 112.91 111.20 1wum h THR 797 Ca -0.06 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.05 1wum h THR 797 Cb 0.44 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1wum h THR 797 CO 0.10 0.00 0.04 0.78 0.37 0.00 0.00 175.52 176.80 1wum h ASN 798 N -0.05 0.84 0.15 4.18 4.21 -1.47 -2.42 115.58 121.02 1wum h ASN 798 Ca 0.23 -0.20 -0.00 0.00 1.21 0.00 0.00 56.30 57.54 1wum h ASN 798 Cb 0.41 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.37 1wum h ASN 798 CO -0.52 0.88 -0.25 0.00 -1.29 0.00 0.00 177.43 176.25 1wum h LYS 800 N -0.42 0.27 -0.76 0.00 1.57 -1.41 -0.29 116.57 115.53 1wum h LYS 800 Ca -0.02 -0.02 0.17 0.00 -1.87 0.00 0.00 60.65 58.92 1wum h LYS 800 Cb 0.39 -0.06 -0.12 0.00 0.08 0.00 0.00 32.23 32.52 1wum h LYS 800 CO -0.09 0.18 0.12 1.49 -0.57 0.00 0.00 179.45 180.58 1wum h GLU 801 N 0.27 0.19 0.19 3.15 4.57 -0.84 -2.45 114.58 119.66 1wum h GLU 801 Ca 0.47 -0.01 -0.32 0.00 -1.18 0.00 0.00 59.36 58.32 1wum h GLU 801 Cb 0.85 -0.04 0.02 0.00 -0.16 0.00 0.00 28.75 29.41 1wum h GLU 801 CO -0.55 0.12 -1.51 0.10 -1.18 0.00 0.00 179.01 175.99 1wum h TYR 802 N 0.19 0.72 -3.58 0.92 -0.00 -0.45 -3.43 116.97 111.35 1wum h TYR 802 Ca 0.43 -0.53 -0.63 0.00 0.00 0.00 0.00 58.73 58.01 1wum h TYR 802 Cb 0.77 -0.03 -0.13 0.00 0.00 0.00 0.00 36.73 37.34 1wum h TYR 802 CO -0.32 1.59 0.28 1.21 -0.00 0.00 0.00 178.16 180.92 1wum s ASN 803 N -7.29 6.45 0.56 0.10 3.04 -0.44 -4.64 114.94 112.71 1wum s ASN 803 Ca -0.15 0.08 -0.19 0.00 0.04 0.00 0.00 52.86 52.65 1wum s ASN 803 Cb 0.04 -2.37 -0.07 0.00 -1.54 0.00 0.00 41.25 37.31 1wum s ASN 803 CO 0.86 -0.76 0.79 -2.65 -3.04 0.00 0.00 177.10 172.30 1wum n PRO 804 N 6.40 0.80 -0.75 0.43 -0.02 -1.26 -4.60 135.00 135.99 1wum n PRO 804 Ca 0.01 0.30 -0.34 0.00 -2.02 0.00 0.00 63.50 61.46 1wum n PRO 804 Cb 0.48 -1.96 -0.06 0.00 -0.02 0.00 0.00 33.50 31.95 1wum n PRO 804 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1wum n PRO 805 N -0.46 1.05 0.00 0.52 -0.02 -1.26 -3.57 135.00 131.25 1wum n PRO 805 Ca 0.12 -1.38 0.00 0.00 -2.02 0.00 0.00 63.50 60.22 1wum n PRO 805 Cb 0.46 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1wum n PRO 805 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1wum n GLU 806 N 6.42 0.00 -0.71 -0.52 -0.58 -1.26 -5.09 120.64 118.90 1wum n GLU 806 Ca 0.41 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 57.00 1wum n GLU 806 Cb 0.30 -0.43 0.12 0.00 -0.57 0.00 0.00 31.44 30.87 1wum n GLU 806 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1wum n SER 807 N -1.61 -0.98 0.14 1.62 2.88 -1.23 -4.96 113.62 109.48 1wum n SER 807 Ca 0.00 -0.99 0.08 0.00 -1.33 0.00 0.00 58.87 56.63 1wum n SER 807 Cb 0.00 -0.53 0.05 0.00 -0.75 0.00 0.00 64.21 62.99 1wum n SER 807 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1wum h GLU 808 N 0.00 0.00 -0.96 -1.46 4.39 -1.99 -3.32 114.58 111.24 1wum h GLU 808 Ca -0.22 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.61 1wum h GLU 808 Cb 0.64 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.21 1wum h GLU 808 CO 0.15 0.13 0.61 1.88 -1.16 0.00 0.00 179.01 180.62 1wum h TYR 809 N 0.00 1.04 -0.28 4.33 0.05 -1.95 -1.48 116.97 118.68 1wum h TYR 809 Ca -0.02 0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.85 1wum h TYR 809 Cb 1.15 -0.33 -0.06 0.00 1.01 0.00 0.00 36.73 38.49 1wum h TYR 809 CO 0.00 0.41 -0.14 -0.92 -1.05 0.00 0.00 178.16 176.47 1wum h TYR 810 N 0.91 -0.33 -0.68 4.88 3.20 -1.88 -1.62 116.97 121.45 1wum h TYR 810 Ca 0.48 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.36 1wum h TYR 810 Cb 0.54 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.97 1wum h TYR 810 CO -0.00 -0.20 0.36 0.87 -1.64 0.00 0.00 178.16 177.55 1wum h LYS 811 N -0.09 0.95 -0.16 1.82 1.57 -1.51 -2.25 116.57 116.90 1wum h LYS 811 Ca 0.15 -0.12 0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1wum h LYS 811 Cb 0.32 -0.18 -0.06 0.00 0.08 0.00 0.00 32.23 32.39 1wum h LYS 811 CO -0.35 0.72 -0.24 0.00 -0.57 0.00 0.00 179.45 179.02 1wum h ALA 813 N 0.70 0.03 -0.76 0.00 0.00 -1.19 0.03 119.26 118.06 1wum h ALA 813 Ca 0.11 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1wum h ALA 813 Cb 0.45 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1wum h ALA 813 CO -0.32 -0.50 0.45 -0.97 0.00 0.00 0.00 179.25 177.91 1wum h ASN 814 N -0.01 0.68 0.62 0.00 -1.24 -0.86 0.68 115.58 115.46 1wum h ASN 814 Ca 0.02 0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.03 1wum h ASN 814 Cb 0.05 -0.11 0.01 0.00 0.73 0.00 0.00 38.32 38.99 1wum h ASN 814 CO -0.05 0.44 -0.30 0.40 -1.29 0.00 0.00 177.43 176.62 1wum h ILE 815 N 0.82 0.00 -0.14 2.57 2.04 -0.02 -0.83 117.51 121.94 1wum h ILE 815 Ca 0.34 -0.23 0.04 0.00 1.00 0.00 0.00 64.86 66.00 1wum h ILE 815 Cb 0.19 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 1wum h ILE 815 CO -0.18 0.00 0.12 0.25 0.00 0.00 0.00 178.15 178.34 1wum h LEU 816 N -1.07 0.00 -0.68 1.44 5.85 -0.89 0.29 115.31 120.25 1wum h LEU 816 Ca -0.09 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.50 1wum h LEU 816 Cb 0.64 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1wum h LEU 816 CO 0.14 0.00 -0.47 -0.08 -0.34 0.00 0.00 178.44 177.69 1wum h GLU 817 N 0.00 0.46 0.10 1.25 4.81 0.55 -1.21 114.58 120.54 1wum h GLU 817 Ca 0.07 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1wum h GLU 817 Cb 0.30 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1wum h GLU 817 CO -0.00 0.83 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.84 1wum h LYS 818 N 0.37 -0.13 -0.62 1.92 3.11 0.54 -2.27 116.57 119.48 1wum h LYS 818 Ca 0.02 0.01 0.07 0.00 -2.81 0.00 0.00 60.65 57.94 1wum h LYS 818 Cb 0.96 0.03 -0.06 0.00 -1.00 0.00 0.00 32.23 32.16 1wum h LYS 818 CO 0.08 0.25 0.30 0.35 -2.81 0.00 0.00 179.45 177.63 1wum h PHE 819 N -0.53 0.55 0.07 1.91 3.04 -1.38 -1.80 116.94 118.80 1wum h PHE 819 Ca -0.01 0.03 0.02 0.00 3.98 0.00 0.00 57.97 61.99 1wum h PHE 819 Cb 0.44 -0.15 -0.04 0.00 2.56 0.00 0.00 35.95 38.75 1wum h PHE 819 CO 0.05 0.22 -0.34 0.35 -2.02 0.00 0.00 178.31 176.58 1wum h PHE 820 N 0.55 -0.93 -0.75 0.41 3.57 -1.14 0.28 116.94 118.93 1wum h PHE 820 Ca 0.29 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.95 1wum h PHE 820 Cb 0.26 0.40 -0.09 0.00 2.79 0.00 0.00 35.95 39.31 1wum h PHE 820 CO -0.11 -0.44 0.33 0.74 -2.23 0.00 0.00 178.31 176.60 1wum h PHE 821 N -0.54 0.58 -0.64 0.41 -1.00 -0.91 -0.20 116.94 114.65 1wum h PHE 821 Ca 0.04 0.03 -0.06 0.00 2.81 0.00 0.00 57.97 60.79 1wum h PHE 821 Cb 0.59 -0.15 -0.03 0.00 3.61 0.00 0.00 35.95 39.98 1wum h PHE 821 CO -0.32 0.13 0.15 0.77 -1.61 0.00 0.00 178.31 177.42 1wum h SER 822 N 0.52 0.97 0.66 2.17 0.02 -0.49 -2.18 113.55 115.23 1wum h SER 822 Ca 0.40 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1wum h SER 822 Cb 0.55 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 1wum h SER 822 CO -0.35 0.96 -0.39 0.50 -1.14 0.00 0.00 176.83 176.41 1wum h LYS 823 N 0.94 -0.95 -0.69 3.45 3.11 0.13 -1.60 116.57 120.97 1wum h LYS 823 Ca 0.20 0.06 0.15 0.00 -2.81 0.00 0.00 60.65 58.25 1wum h LYS 823 Cb 0.37 0.22 -0.04 0.00 -1.00 0.00 0.00 32.23 31.78 1wum h LYS 823 CO 0.00 -0.63 0.47 -0.84 -2.81 0.00 0.00 179.45 175.64 1wum h ILE 824 N -0.99 0.79 -0.28 2.00 3.07 -1.27 0.49 117.51 121.32 1wum h ILE 824 Ca -0.08 -0.11 -0.03 0.00 1.55 0.00 0.00 64.86 66.19 1wum h ILE 824 Cb 0.79 0.45 -0.02 0.00 -0.27 0.00 0.00 36.82 37.78 1wum h ILE 824 CO 0.10 0.06 0.05 0.11 -1.05 0.00 0.00 178.15 177.41 1wum h LYS 825 N 0.31 0.41 0.16 0.16 1.57 -0.66 1.25 116.57 119.76 1wum h LYS 825 Ca 0.33 -0.06 -0.30 0.00 -1.87 0.00 0.00 60.65 58.75 1wum h LYS 825 Cb 0.87 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 33.12 1wum h LYS 825 CO -0.08 0.40 -1.35 0.93 -0.57 0.00 0.00 179.45 178.78 1wum h GLU 826 N 0.41 0.34 0.16 3.15 4.39 0.80 -3.33 114.58 120.49 1wum h GLU 826 Ca 0.10 -0.58 -0.30 0.00 0.34 0.00 0.00 59.36 58.91 1wum h GLU 826 Cb 0.19 0.22 0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1wum h GLU 826 CO -0.00 1.27 -1.39 0.00 -1.16 0.00 0.00 179.01 177.73 1wum h ALA 827 N 0.46 0.07 0.00 3.43 0.00 -0.61 -3.45 119.26 119.16 1wum h ALA 827 Ca -0.18 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.79 1wum h ALA 827 Cb 2.03 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.95 1wum h ALA 827 CO 0.22 0.95 0.00 0.41 0.00 0.00 0.00 179.25 180.82 1wum n GLY 828 N 1.62 1.46 0.00 0.00 0.00 0.41 -4.22 105.19 104.46 1wum n GLY 828 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1wum n GLY 828 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wum n LEU 829 N 0.00 0.00 -1.65 0.99 7.99 -0.16 -4.09 117.00 120.07 1wum n LEU 829 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1wum n LEU 829 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1wum n LEU 829 CO 0.00 0.00 -0.49 -0.38 -1.51 0.00 0.00 177.39 175.01 1wum n ILE 830 N 0.00 -3.82 0.06 -0.08 5.41 -1.26 -4.94 119.36 114.73 1wum n ILE 830 Ca 0.00 1.84 0.00 0.00 1.00 0.00 0.00 62.75 65.59 1wum n ILE 830 Cb 0.00 -2.82 0.00 0.00 -0.71 0.00 0.00 39.64 36.11 1wum n ILE 830 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1wum n ASP 831 N -2.09 -0.06 0.00 4.38 2.03 -1.26 -4.83 116.55 114.71 1wum n ASP 831 Ca 0.00 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.52 1wum n ASP 831 Cb 0.34 0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 1wum n ASP 831 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45