#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kz1 h TRP 716 N 0.00 0.25 0.00 3.10 7.01 -1.92 -3.32 115.95 121.08 3kz1 h TRP 716 Ca 0.00 -0.19 0.00 0.00 2.11 0.00 0.00 58.89 60.81 3kz1 h TRP 716 Cb 0.00 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.05 3kz1 h TRP 716 CO 0.00 1.16 0.00 -0.56 -2.79 0.00 0.00 178.44 176.25 3kz1 h GLN 717 N 0.04 0.00 0.03 2.65 3.07 -1.95 -2.76 115.11 116.19 3kz1 h GLN 717 Ca -0.11 0.00 -0.23 0.00 0.09 0.00 0.00 58.65 58.39 3kz1 h GLN 717 Cb 1.90 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.44 3kz1 h GLN 717 CO 0.16 0.00 -1.12 0.45 0.09 0.00 0.00 178.83 178.41 3kz1 h HIS 718 N 0.00 0.13 -3.38 0.06 3.86 -1.89 -3.37 115.15 110.56 3kz1 h HIS 718 Ca 0.00 -0.10 -0.32 0.00 -1.16 0.00 0.00 60.37 58.79 3kz1 h HIS 718 Cb 0.49 -0.01 0.13 0.00 1.06 0.00 0.00 27.41 29.09 3kz1 h HIS 718 CO 0.00 1.08 0.31 0.25 0.86 0.00 0.00 177.93 180.44 3kz1 n THR 719 N -3.38 0.00 0.00 2.45 -2.24 -1.04 -4.34 114.28 105.73 3kz1 n THR 719 Ca -0.04 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 3kz1 n THR 719 Cb 0.97 -1.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 3kz1 n THR 719 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3kz1 n VAL 720 N -3.41 0.00 0.00 2.28 0.24 -1.26 -4.80 118.33 111.39 3kz1 n VAL 720 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.43 3kz1 n VAL 720 Cb 0.44 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.81 3kz1 n VAL 720 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kz1 n GLY 721 N 0.00 -1.39 0.30 7.63 0.00 -1.26 -4.72 105.19 105.76 3kz1 n GLY 721 Ca 0.00 -2.19 0.06 0.00 0.00 0.00 0.00 46.02 43.89 3kz1 n GLY 721 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kz1 n LYS 722 N -0.19 1.72 0.14 1.61 0.00 -1.26 -3.85 118.16 116.32 3kz1 n LYS 722 Ca 0.00 -0.76 -0.01 0.00 -0.00 0.00 0.00 58.31 57.54 3kz1 n LYS 722 Cb 0.00 -1.14 0.16 0.00 -0.00 0.00 0.00 35.03 34.05 3kz1 n LYS 722 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 3kz1 h ASP 723 N 1.47 0.00 0.01 -5.58 5.19 -1.98 -3.02 116.42 112.50 3kz1 h ASP 723 Ca 0.00 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.23 3kz1 h ASP 723 Cb 0.40 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.93 3kz1 h ASP 723 CO 0.00 0.62 -0.72 0.58 -3.12 0.00 0.00 179.24 176.60 3kz1 h VAL 724 N 0.00 1.40 -0.06 -1.35 2.07 -1.85 -3.21 116.25 113.25 3kz1 h VAL 724 Ca -0.01 -2.14 0.02 0.00 0.82 0.00 0.00 66.70 65.39 3kz1 h VAL 724 Cb 1.13 2.58 -0.00 0.00 -1.52 0.00 0.00 31.29 33.48 3kz1 h VAL 724 CO 0.08 0.63 0.05 0.58 0.02 0.00 0.00 177.57 178.94 3kz1 h VAL 725 N -0.00 0.72 0.00 2.57 2.07 -1.66 -3.44 116.25 116.51 3kz1 h VAL 725 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3kz1 h VAL 725 Cb 1.42 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3kz1 h VAL 725 CO 0.14 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.73 3kz1 n ALA 726 N -2.43 0.00 -1.46 1.67 0.00 -1.14 -1.56 120.51 115.58 3kz1 n ALA 726 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.08 3kz1 n ALA 726 Cb 0.15 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.67 3kz1 n ALA 726 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kz1 n GLY 727 N 0.00 5.87 3.78 0.00 0.00 -1.26 -5.00 105.19 108.58 3kz1 n GLY 727 Ca 0.00 -2.36 -0.37 0.00 0.00 0.00 0.00 46.02 43.29 3kz1 n GLY 727 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kz1 s LEU 728 N -3.85 4.24 0.54 0.99 1.43 -0.60 -5.06 118.68 116.38 3kz1 s LEU 728 Ca 0.62 1.92 -0.14 0.00 -1.03 0.00 0.00 54.13 55.51 3kz1 s LEU 728 Cb 0.49 -4.10 -0.06 0.00 0.03 0.00 0.00 46.19 42.55 3kz1 s LEU 728 CO -0.06 -0.26 0.98 0.28 0.23 0.00 0.00 176.35 177.52 3kz1 s THR 729 N -1.65 4.62 0.12 5.49 -1.32 -1.26 -4.92 115.64 116.72 3kz1 s THR 729 Ca 0.54 1.03 -0.28 0.00 -1.21 0.00 0.00 61.69 61.76 3kz1 s THR 729 Cb -0.20 -3.77 -0.07 0.00 -1.51 0.00 0.00 72.50 66.95 3kz1 s THR 729 CO 0.25 -0.83 1.60 -0.61 -2.21 0.00 0.00 174.62 172.83 3kz1 h GLN 730 N 0.52 -0.51 -0.87 7.08 5.75 -2.00 -1.61 115.11 123.49 3kz1 h GLN 730 Ca -0.46 0.03 0.22 0.00 -0.15 0.00 0.00 58.65 58.30 3kz1 h GLN 730 Cb 1.19 0.12 -0.15 0.00 1.07 0.00 0.00 27.48 29.70 3kz1 h GLN 730 CO 0.62 -0.34 0.10 -0.09 -2.65 0.00 0.00 178.83 176.47 3kz1 h ARG 731 N -0.53 0.11 -0.11 1.69 2.43 -1.95 -0.48 114.38 115.55 3kz1 h ARG 731 Ca 0.05 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.09 3kz1 h ARG 731 Cb 0.60 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 3kz1 h ARG 731 CO -0.28 0.08 -0.49 1.49 -1.51 0.00 0.00 179.97 179.26 3kz1 h GLU 732 N 0.12 0.29 -0.29 0.20 4.57 -1.65 -0.33 114.58 117.49 3kz1 h GLU 732 Ca 0.52 -0.16 -0.08 0.00 -1.18 0.00 0.00 59.36 58.46 3kz1 h GLU 732 Cb 1.02 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.61 3kz1 h GLU 732 CO -0.73 0.71 -0.14 0.82 -1.18 0.00 0.00 179.01 178.49 3kz1 h ILE 733 N 0.23 1.29 -0.13 2.32 2.04 -0.27 -1.44 117.51 121.55 3kz1 h ILE 733 Ca 0.01 -1.24 -0.04 0.00 1.00 0.00 0.00 64.86 64.59 3kz1 h ILE 733 Cb 0.94 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 3kz1 h ILE 733 CO 0.08 0.40 -0.10 0.44 0.00 0.00 0.00 178.15 178.96 3kz1 h ASP 734 N 0.37 0.19 -0.31 1.72 3.32 -0.74 -1.73 116.42 119.24 3kz1 h ASP 734 Ca 0.07 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 3kz1 h ASP 734 Cb 0.67 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3kz1 h ASP 734 CO 0.04 0.32 -0.14 -0.09 -1.72 0.00 0.00 179.24 177.66 3kz1 h ARG 735 N 0.20 0.64 -0.36 3.56 2.43 -0.80 -2.65 114.38 117.39 3kz1 h ARG 735 Ca 0.04 -0.27 -0.06 0.00 -0.81 0.00 0.00 59.98 58.87 3kz1 h ARG 735 Cb 0.31 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 3kz1 h ARG 735 CO 0.02 0.86 -0.04 1.96 -1.51 0.00 0.00 179.97 181.25 3kz1 h GLN 736 N 0.39 0.59 -0.53 0.20 1.08 -0.87 -2.21 115.11 113.77 3kz1 h GLN 736 Ca 0.07 -0.15 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 3kz1 h GLN 736 Cb 0.66 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.99 3kz1 h GLN 736 CO 0.04 0.65 0.33 0.93 -0.95 0.00 0.00 178.83 179.83 3kz1 h GLU 737 N 0.56 0.71 -0.15 1.46 4.39 -1.13 0.42 114.58 120.84 3kz1 h GLU 737 Ca 0.11 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.66 3kz1 h GLU 737 Cb 0.42 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 3kz1 h GLU 737 CO 0.02 0.51 -0.26 0.28 -1.16 0.00 0.00 179.01 178.40 3kz1 h VAL 738 N 0.71 1.36 -0.82 3.13 2.07 -1.37 -2.33 116.25 118.99 3kz1 h VAL 738 Ca 0.19 -1.50 0.10 0.00 0.82 0.00 0.00 66.70 66.31 3kz1 h VAL 738 Cb -0.03 1.96 -0.07 0.00 -1.52 0.00 0.00 31.29 31.63 3kz1 h VAL 738 CO -0.04 0.45 0.47 0.40 0.02 0.00 0.00 177.57 178.87 3kz1 h ILE 739 N 0.06 0.90 -0.56 4.57 2.04 -1.19 -0.29 117.51 123.05 3kz1 h ILE 739 Ca 0.01 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 3kz1 h ILE 739 Cb 0.84 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 3kz1 h ILE 739 CO 0.06 0.14 0.22 -1.13 0.00 0.00 0.00 178.15 177.44 3kz1 h ASN 740 N 0.78 0.73 -0.70 1.72 -0.73 -0.13 -1.92 115.58 115.33 3kz1 h ASN 740 Ca 0.40 -0.09 -0.07 0.00 1.87 0.00 0.00 56.30 58.41 3kz1 h ASN 740 Cb 0.37 -0.19 -0.03 0.00 0.27 0.00 0.00 38.32 38.74 3kz1 h ASN 740 CO -0.25 0.66 0.16 -0.08 -0.37 0.00 0.00 177.43 177.55 3kz1 h GLU 741 N 0.80 1.13 -0.44 6.67 4.81 -0.62 -0.95 114.58 125.98 3kz1 h GLU 741 Ca 0.19 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 3kz1 h GLU 741 Cb 0.15 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3kz1 h GLU 741 CO -0.02 1.00 0.12 1.25 -0.73 0.00 0.00 179.01 180.63 3kz1 h LEU 742 N 1.06 0.65 0.34 1.64 5.85 -0.85 0.10 115.31 124.10 3kz1 h LEU 742 Ca 0.22 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3kz1 h LEU 742 Cb 0.39 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3kz1 h LEU 742 CO 0.00 0.70 -0.16 -0.26 -0.34 0.00 0.00 178.44 178.38 3kz1 h PHE 743 N 0.57 -0.42 -0.42 1.25 -1.00 -1.05 -1.22 116.94 114.65 3kz1 h PHE 743 Ca 0.14 -0.01 -0.11 0.00 2.81 0.00 0.00 57.97 60.80 3kz1 h PHE 743 Cb 0.30 0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.98 3kz1 h PHE 743 CO 0.02 -0.17 -0.17 0.28 -1.61 0.00 0.00 178.31 176.66 3kz1 h VAL 744 N -0.61 1.26 0.00 -0.55 2.07 -1.18 -1.80 116.25 115.45 3kz1 h VAL 744 Ca -0.05 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.22 3kz1 h VAL 744 Cb 0.44 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3kz1 h VAL 744 CO 0.08 0.43 0.00 0.71 0.02 0.00 0.00 177.57 178.80 3kz1 h THR 745 N 0.70 0.00 -0.16 2.57 1.35 -0.95 -1.29 112.91 115.13 3kz1 h THR 745 Ca 0.11 -0.49 -0.21 0.00 -0.55 0.00 0.00 66.41 65.26 3kz1 h THR 745 Cb 0.67 1.45 0.01 0.00 -1.73 0.00 0.00 68.15 68.54 3kz1 h THR 745 CO 0.05 0.00 -0.74 -0.08 -0.25 0.00 0.00 175.52 174.50 3kz1 h GLU 746 N 0.00 0.72 -0.23 4.72 4.57 -0.36 -1.61 114.58 122.38 3kz1 h GLU 746 Ca 0.00 -0.57 -0.03 0.00 -1.18 0.00 0.00 59.36 57.57 3kz1 h GLU 746 Cb 0.52 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 3kz1 h GLU 746 CO 0.00 1.19 0.01 0.00 -1.18 0.00 0.00 179.01 179.02 3kz1 h ALA 747 N 0.66 0.31 -0.63 2.92 0.00 -1.19 -1.06 119.26 120.27 3kz1 h ALA 747 Ca -0.04 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.76 3kz1 h ALA 747 Cb 1.35 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 3kz1 h ALA 747 CO 0.15 0.03 0.24 0.77 0.00 0.00 0.00 179.25 180.43 3kz1 h SER 748 N 0.18 0.23 0.10 0.00 0.02 -1.27 -0.67 113.55 112.14 3kz1 h SER 748 Ca 0.07 0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 3kz1 h SER 748 Cb 0.39 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 3kz1 h SER 748 CO 0.01 0.13 -0.13 -0.74 -1.14 0.00 0.00 176.83 174.96 3kz1 h HIS 749 N 0.42 -0.34 -0.48 3.45 6.17 -1.16 -2.38 115.15 120.83 3kz1 h HIS 749 Ca 0.32 0.00 0.10 0.00 0.71 0.00 0.00 60.37 61.50 3kz1 h HIS 749 Cb 0.40 0.14 -0.10 0.00 2.52 0.00 0.00 27.41 30.37 3kz1 h HIS 749 CO -0.17 -0.20 -0.18 1.25 0.71 0.00 0.00 177.93 179.34 3kz1 h LEU 750 N -0.27 -0.64 -1.22 0.26 7.12 -0.37 -1.18 115.31 119.01 3kz1 h LEU 750 Ca 0.02 0.16 -0.04 0.00 0.13 0.00 0.00 57.88 58.15 3kz1 h LEU 750 Cb 0.27 0.37 -0.02 0.00 -0.53 0.00 0.00 40.66 40.75 3kz1 h LEU 750 CO -0.06 -0.22 0.10 0.08 -0.13 0.00 0.00 178.44 178.22 3kz1 h ARG 751 N -0.08 0.64 -0.84 1.25 0.11 -1.04 -2.06 114.38 112.37 3kz1 h ARG 751 Ca 0.23 -0.11 0.06 0.00 0.10 0.00 0.00 59.98 60.26 3kz1 h ARG 751 Cb 0.43 -0.11 -0.06 0.00 1.11 0.00 0.00 29.97 31.34 3kz1 h ARG 751 CO -0.53 0.59 0.51 1.15 0.10 0.00 0.00 179.97 181.79 3kz1 h THR 752 N 0.63 1.02 -0.38 0.08 2.02 -0.70 0.36 112.91 115.94 3kz1 h THR 752 Ca 0.14 -0.32 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 3kz1 h THR 752 Cb 0.24 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 3kz1 h THR 752 CO -0.00 0.17 0.04 -0.07 0.37 0.00 0.00 175.52 176.02 3kz1 h LEU 753 N 0.93 0.55 -0.30 2.58 3.38 -0.99 -1.47 115.31 119.98 3kz1 h LEU 753 Ca 0.37 -0.10 -0.20 0.00 0.09 0.00 0.00 57.88 58.05 3kz1 h LEU 753 Cb 0.19 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3kz1 h LEU 753 CO -0.18 0.59 -0.68 0.03 0.09 0.00 0.00 178.44 178.30 3kz1 h ARG 754 N 0.57 0.69 -0.14 1.13 3.08 -0.50 -2.82 114.38 116.40 3kz1 h ARG 754 Ca 0.12 -0.51 0.02 0.00 0.07 0.00 0.00 59.98 59.69 3kz1 h ARG 754 Cb 0.30 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3kz1 h ARG 754 CO 0.01 1.13 -0.01 0.28 -1.07 0.00 0.00 179.97 180.31 3kz1 h VAL 755 N 0.50 0.89 -0.90 2.04 2.07 -0.19 -0.22 116.25 120.45 3kz1 h VAL 755 Ca -0.02 -0.01 0.23 0.00 0.82 0.00 0.00 66.70 67.72 3kz1 h VAL 755 Cb 1.28 0.86 -0.13 0.00 -1.52 0.00 0.00 31.29 31.78 3kz1 h VAL 755 CO 0.13 0.01 0.37 -0.07 0.02 0.00 0.00 177.57 178.03 3kz1 h LEU 756 N 0.03 0.27 -0.00 2.57 3.38 -1.23 -1.83 115.31 118.50 3kz1 h LEU 756 Ca 0.06 0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 3kz1 h LEU 756 Cb 0.08 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3kz1 h LEU 756 CO -0.12 -0.05 -0.13 -0.78 0.09 0.00 0.00 178.44 177.45 3kz1 h ASP 757 N 0.35 0.12 -0.09 -0.43 3.58 -1.15 -1.58 116.42 117.22 3kz1 h ASP 757 Ca 0.57 -0.79 -0.06 0.00 0.42 0.00 0.00 57.03 57.18 3kz1 h ASP 757 Cb 1.12 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.14 3kz1 h ASP 757 CO -0.56 0.89 -0.18 0.25 -2.88 0.00 0.00 179.24 176.76 3kz1 h LEU 758 N -0.64 0.30 0.06 2.28 5.85 -0.79 -1.08 115.31 121.28 3kz1 h LEU 758 Ca -0.02 -0.56 -0.32 0.00 0.84 0.00 0.00 57.88 57.82 3kz1 h LEU 758 Cb 0.91 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 3kz1 h LEU 758 CO 0.03 0.81 -1.80 0.40 -0.34 0.00 0.00 178.44 177.53 3kz1 h ILE 759 N -0.19 0.79 0.00 4.05 2.04 -1.50 -3.37 117.51 119.32 3kz1 h ILE 759 Ca 0.00 -2.57 0.00 0.00 1.00 0.00 0.00 64.86 63.29 3kz1 h ILE 759 Cb 0.76 2.48 0.00 0.00 -0.74 0.00 0.00 36.82 39.32 3kz1 h ILE 759 CO 0.04 0.67 0.00 0.49 0.00 0.00 0.00 178.15 179.35 3kz1 n PHE 760 N -3.24 0.00 -0.03 1.37 3.72 -1.09 -4.48 117.46 113.72 3kz1 n PHE 760 Ca -0.22 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.08 3kz1 n PHE 760 Cb 1.05 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.56 3kz1 n PHE 760 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 3kz1 h TYR 761 N 0.00 -0.75 -0.42 1.38 3.20 -1.24 0.12 116.97 119.26 3kz1 h TYR 761 Ca 0.00 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.82 3kz1 h TYR 761 Cb 0.00 0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 3kz1 h TYR 761 CO 0.00 -0.36 -0.11 1.96 -1.64 0.00 0.00 178.16 178.01 3kz1 h GLN 762 N -0.32 0.75 0.00 1.82 1.08 -1.40 -1.38 115.11 115.67 3kz1 h GLN 762 Ca 0.12 -0.25 -0.10 0.00 -1.45 0.00 0.00 58.65 56.97 3kz1 h GLN 762 Cb 0.50 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 3kz1 h GLN 762 CO -0.37 0.84 -0.46 0.00 -0.95 0.00 0.00 178.83 177.89 3kz1 h ARG 763 N 0.68 0.00 -0.14 1.46 3.08 -1.52 -1.80 114.38 116.13 3kz1 h ARG 763 Ca 0.12 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.10 3kz1 h ARG 763 Cb 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 3kz1 h ARG 763 CO 0.04 0.46 -0.16 0.52 -1.07 0.00 0.00 179.97 179.75 3kz1 h MET 764 N 0.00 0.35 -0.77 0.04 2.86 -0.31 -1.98 114.93 115.12 3kz1 h MET 764 Ca -0.00 -0.19 0.06 0.00 -2.06 0.00 0.00 59.70 57.51 3kz1 h MET 764 Cb 1.08 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.69 3kz1 h MET 764 CO 0.06 0.75 0.46 -0.22 1.06 0.00 0.00 176.91 179.02 3kz1 h LYS 765 N -0.03 0.80 -0.01 1.72 3.64 -1.21 -0.86 116.57 120.62 3kz1 h LYS 765 Ca 0.02 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 3kz1 h LYS 765 Cb 0.70 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3kz1 h LYS 765 CO 0.04 0.53 -0.14 -0.22 -2.27 0.00 0.00 179.45 177.39 3kz1 h LYS 766 N 0.83 0.12 -0.00 1.90 3.64 -1.30 -3.24 116.57 118.52 3kz1 h LYS 766 Ca 0.35 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3kz1 h LYS 766 Cb 0.20 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3kz1 h LYS 766 CO -0.19 0.82 -0.06 0.39 -2.27 0.00 0.00 179.45 178.14 3kz1 n GLU 767 N -4.61 0.61 -3.54 1.90 1.02 -0.75 -4.94 120.64 110.32 3kz1 n GLU 767 Ca -0.09 -0.12 -0.23 0.00 -0.02 0.00 0.00 57.16 56.69 3kz1 n GLU 767 Cb 0.43 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.40 3kz1 n GLU 767 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3kz1 n ASN 768 N -1.09 -4.72 -0.21 1.62 3.02 -0.34 -4.92 115.26 108.63 3kz1 n ASN 768 Ca 0.15 -0.86 -0.08 0.00 -0.03 0.00 0.00 54.58 53.76 3kz1 n ASN 768 Cb 0.25 -4.17 0.02 0.00 -0.61 0.00 0.00 39.78 35.27 3kz1 n ASN 768 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3kz1 h LEU 769 N -1.62 0.84 -7.78 3.41 6.46 -1.83 -3.46 115.31 111.33 3kz1 h LEU 769 Ca -0.63 -0.20 -0.09 0.00 -0.12 0.00 0.00 57.88 56.83 3kz1 h LEU 769 Cb 1.34 -0.22 -0.15 0.00 -0.73 0.00 0.00 40.66 40.90 3kz1 h LEU 769 CO 0.49 0.81 -0.38 0.00 -0.62 0.00 0.00 178.44 178.75 3kz1 s MET 770 N -5.44 0.79 0.67 1.25 0.23 -1.26 -5.01 119.30 110.53 3kz1 s MET 770 Ca -0.13 -0.83 -0.17 0.00 -1.03 0.00 0.00 55.69 53.53 3kz1 s MET 770 Cb 0.13 0.32 0.00 0.00 -1.53 0.00 0.00 34.83 33.75 3kz1 s MET 770 CO 0.80 -0.24 1.27 -1.25 -2.03 0.00 0.00 175.02 173.58 3kz1 s PRO 771 N -3.35 2.42 0.25 3.16 0.04 -1.26 -4.70 135.00 131.56 3kz1 s PRO 771 Ca 0.01 2.00 -0.03 0.00 0.04 0.00 0.00 61.00 63.02 3kz1 s PRO 771 Cb 0.03 -1.84 0.48 0.00 0.04 0.00 0.00 34.50 33.21 3kz1 s PRO 771 CO -0.08 -1.68 1.74 -0.09 0.04 0.00 0.00 177.00 176.93 3kz1 h ARG 772 N 0.32 0.51 0.00 4.56 9.65 -2.00 -1.12 114.38 126.29 3kz1 h ARG 772 Ca -0.50 -0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 58.26 3kz1 h ARG 772 Cb 1.33 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.78 3kz1 h ARG 772 CO 0.52 0.33 -0.43 0.93 2.80 0.00 0.00 179.97 184.13 3kz1 h GLU 773 N 0.52 0.00 -0.05 0.20 5.08 -1.99 -0.25 114.58 118.09 3kz1 h GLU 773 Ca 0.43 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.76 3kz1 h GLU 773 Cb 0.62 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 3kz1 h GLU 773 CO -0.38 0.43 -0.08 1.49 -1.00 0.00 0.00 179.01 179.47 3kz1 h GLU 774 N 0.00 0.14 -0.88 2.33 4.81 -1.59 -3.04 114.58 116.34 3kz1 h GLU 774 Ca -0.00 -0.08 0.20 0.00 -0.13 0.00 0.00 59.36 59.34 3kz1 h GLU 774 Cb 0.81 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.14 3kz1 h GLU 774 CO 0.06 0.64 0.58 1.25 -0.73 0.00 0.00 179.01 180.81 3kz1 h LEU 775 N -0.35 0.38 -0.71 1.64 5.85 -0.85 -1.40 115.31 119.85 3kz1 h LEU 775 Ca 0.00 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.63 3kz1 h LEU 775 Cb 0.63 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 3kz1 h LEU 775 CO 0.02 0.16 -0.62 0.00 -0.34 0.00 0.00 178.44 177.65 3kz1 h ALA 776 N 1.61 0.93 -0.00 1.25 0.00 -0.98 -1.62 119.26 120.45 3kz1 h ALA 776 Ca 0.45 -0.57 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 3kz1 h ALA 776 Cb 1.16 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3kz1 h ALA 776 CO -0.16 0.78 -0.78 0.00 0.00 0.00 0.00 179.25 179.09 3kz1 h ARG 777 N 0.00 0.05 -0.01 0.00 3.08 -1.15 -1.40 114.38 114.95 3kz1 h ARG 777 Ca -0.01 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 3kz1 h ARG 777 Cb 1.13 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.19 3kz1 h ARG 777 CO 0.08 0.80 -0.00 1.25 -1.07 0.00 0.00 179.97 181.03 3kz1 h LEU 778 N 0.03 0.01 -6.87 3.04 6.46 -1.32 -3.39 115.31 113.27 3kz1 h LEU 778 Ca -0.01 -0.35 -0.61 0.00 -0.12 0.00 0.00 57.88 56.78 3kz1 h LEU 778 Cb 1.37 -0.00 -0.41 0.00 -0.73 0.00 0.00 40.66 40.88 3kz1 h LEU 778 CO 0.11 0.36 -0.70 -0.36 -0.62 0.00 0.00 178.44 177.22 3kz1 s PHE 779 N -4.80 2.75 0.02 1.25 0.08 -0.62 -4.93 117.98 111.72 3kz1 s PHE 779 Ca -0.15 -2.99 -0.26 0.00 0.12 0.00 0.00 56.93 53.64 3kz1 s PHE 779 Cb 0.03 -2.13 -0.17 0.00 -0.57 0.00 0.00 43.02 40.18 3kz1 s PHE 779 CO 0.67 -0.64 1.33 -1.35 -0.10 0.00 0.00 175.22 175.13 3kz1 h PRO 780 N 5.54 -0.48 -2.07 0.24 0.11 -1.45 -3.40 132.00 130.49 3kz1 h PRO 780 Ca 0.17 0.03 -0.52 0.00 0.11 0.00 0.00 66.00 65.80 3kz1 h PRO 780 Cb 0.81 0.11 -0.40 0.00 0.11 0.00 0.00 31.00 31.63 3kz1 h PRO 780 CO 0.60 -0.19 -1.05 0.27 -0.21 0.00 0.00 178.00 177.43 3kz1 n ASN 781 N -5.20 1.63 0.01 -2.05 6.94 -1.26 -4.96 115.26 110.37 3kz1 n ASN 781 Ca -0.10 -3.13 -0.13 0.00 -0.02 0.00 0.00 54.58 51.20 3kz1 n ASN 781 Cb 0.27 -0.61 -0.10 0.00 -2.36 0.00 0.00 39.78 36.98 3kz1 n ASN 781 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 3kz1 h LEU 782 N 3.18 -0.05 -1.77 -4.53 5.85 -1.99 -2.13 115.31 113.86 3kz1 h LEU 782 Ca 0.11 -0.48 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 3kz1 h LEU 782 Cb 0.85 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 3kz1 h LEU 782 CO 0.58 0.47 -0.11 -0.65 -0.34 0.00 0.00 178.44 178.39 3kz1 h PRO 783 N -0.60 0.01 0.07 5.25 0.11 -1.96 -0.82 132.00 134.07 3kz1 h PRO 783 Ca -0.01 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 3kz1 h PRO 783 Cb 0.53 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 3kz1 h PRO 783 CO 0.01 0.12 -0.03 0.93 -0.21 0.00 0.00 178.00 178.81 3kz1 h GLU 784 N 0.01 -0.09 -0.27 1.05 3.07 -1.96 -0.08 114.58 116.31 3kz1 h GLU 784 Ca 0.00 0.01 0.04 0.00 -0.50 0.00 0.00 59.36 58.91 3kz1 h GLU 784 Cb 0.20 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.09 3kz1 h GLU 784 CO 0.01 -0.06 0.02 1.25 -1.40 0.00 0.00 179.01 178.83 3kz1 h LEU 785 N -0.10 -0.07 -0.40 1.33 5.85 -0.61 -0.99 115.31 120.32 3kz1 h LEU 785 Ca -0.01 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.79 3kz1 h LEU 785 Cb 0.08 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3kz1 h LEU 785 CO 0.02 -0.00 0.20 0.40 -0.34 0.00 0.00 178.44 178.72 3kz1 h ILE 786 N 0.10 0.99 -1.00 4.05 2.04 -1.09 -2.35 117.51 120.25 3kz1 h ILE 786 Ca 0.13 -0.14 0.13 0.00 1.00 0.00 0.00 64.86 65.97 3kz1 h ILE 786 Cb 0.16 0.53 -0.09 0.00 -0.74 0.00 0.00 36.82 36.68 3kz1 h ILE 786 CO -0.20 0.08 0.63 -0.08 0.00 0.00 0.00 178.15 178.58 3kz1 h GLU 787 N 0.42 0.94 0.19 2.37 4.57 -0.28 0.26 114.58 123.05 3kz1 h GLU 787 Ca 0.17 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 3kz1 h GLU 787 Cb 0.07 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.45 3kz1 h GLU 787 CO -0.11 0.62 -0.09 0.82 -1.18 0.00 0.00 179.01 179.07 3kz1 h ILE 788 N 0.97 0.83 0.03 2.32 2.04 -0.68 -0.83 117.51 122.19 3kz1 h ILE 788 Ca 0.51 -0.06 -0.21 0.00 1.00 0.00 0.00 64.86 66.10 3kz1 h ILE 788 Cb 0.54 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 3kz1 h ILE 788 CO -0.28 0.01 -0.97 0.45 0.00 0.00 0.00 178.15 177.37 3kz1 h HIS 789 N -0.28 0.23 -0.90 1.37 3.86 -1.15 -2.99 115.15 115.29 3kz1 h HIS 789 Ca -0.03 -0.15 0.01 0.00 -1.16 0.00 0.00 60.37 59.04 3kz1 h HIS 789 Cb 0.21 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.62 3kz1 h HIS 789 CO -0.06 1.02 0.59 -0.97 0.86 0.00 0.00 177.93 179.37 3kz1 h ASN 790 N 0.07 1.05 -0.33 2.45 -1.24 -0.47 -1.43 115.58 115.67 3kz1 h ASN 790 Ca -0.05 -0.03 -0.09 0.00 0.71 0.00 0.00 56.30 56.83 3kz1 h ASN 790 Cb 1.64 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 40.41 3kz1 h ASN 790 CO 0.14 0.76 -0.11 0.77 -1.29 0.00 0.00 177.43 177.71 3kz1 h SER 791 N 1.23 0.76 0.82 1.15 4.64 -1.05 -2.77 113.55 118.32 3kz1 h SER 791 Ca 0.33 -0.23 -0.16 0.00 -0.47 0.00 0.00 61.79 61.27 3kz1 h SER 791 Cb -0.13 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 61.74 3kz1 h SER 791 CO -0.07 0.89 -0.75 -0.25 -0.87 0.00 0.00 176.83 175.79 3kz1 h TRP 792 N 0.69 0.00 -0.37 4.77 7.01 -1.33 -1.77 115.95 124.95 3kz1 h TRP 792 Ca 0.12 0.00 -0.13 0.00 2.11 0.00 0.00 58.89 60.99 3kz1 h TRP 792 Cb 0.59 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.64 3kz1 h TRP 792 CO 0.03 0.75 -0.28 0.00 -2.79 0.00 0.00 178.44 176.15 3kz1 h GLU 794 N 0.67 0.10 -1.02 0.00 4.39 -1.39 0.69 114.58 118.02 3kz1 h GLU 794 Ca 0.08 -0.03 0.25 0.00 0.34 0.00 0.00 59.36 59.99 3kz1 h GLU 794 Cb 0.81 -0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 29.34 3kz1 h GLU 794 CO 0.07 0.38 0.63 0.00 -1.16 0.00 0.00 179.01 178.94 3kz1 h ALA 795 N 0.71 2.00 0.07 3.43 0.00 -1.17 -1.63 119.26 122.66 3kz1 h ALA 795 Ca 0.02 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kz1 h ALA 795 Cb 0.34 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3kz1 h ALA 795 CO 0.00 -0.42 -0.03 0.52 0.00 0.00 0.00 179.25 179.32 3kz1 h MET 796 N 0.51 -0.08 -0.78 0.00 2.86 0.28 -3.09 114.93 114.62 3kz1 h MET 796 Ca 0.61 0.01 0.15 0.00 -2.06 0.00 0.00 59.70 58.40 3kz1 h MET 796 Cb 1.32 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.94 3kz1 h MET 796 CO -0.37 0.48 0.52 0.87 1.06 0.00 0.00 176.91 179.47 3kz1 h LYS 797 N -0.75 0.43 -0.06 1.72 1.57 0.91 -1.65 116.57 118.74 3kz1 h LYS 797 Ca -0.01 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3kz1 h LYS 797 Cb 0.60 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 3kz1 h LYS 797 CO 0.01 0.28 0.03 0.87 -0.57 0.00 0.00 179.45 180.08 3kz1 h LYS 798 N 0.44 0.09 -0.64 3.15 1.57 -1.34 -1.79 116.57 118.05 3kz1 h LYS 798 Ca 0.38 -0.01 0.17 0.00 -1.87 0.00 0.00 60.65 59.32 3kz1 h LYS 798 Cb 0.86 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.12 3kz1 h LYS 798 CO -0.13 0.15 0.45 1.25 -0.57 0.00 0.00 179.45 180.60 3kz1 h LEU 799 N 0.00 0.11 -0.18 2.94 7.12 -1.22 -1.79 115.31 122.29 3kz1 h LEU 799 Ca 0.02 0.01 -0.23 0.00 0.13 0.00 0.00 57.88 57.81 3kz1 h LEU 799 Cb 0.09 -0.01 0.01 0.00 -0.53 0.00 0.00 40.66 40.21 3kz1 h LEU 799 CO -0.00 0.05 -0.90 -0.09 -0.13 0.00 0.00 178.44 177.37 3kz1 h ARG 800 N 0.11 0.52 -0.96 1.25 9.65 -1.21 -3.23 114.38 120.52 3kz1 h ARG 800 Ca 0.31 -0.52 0.29 0.00 -1.10 0.00 0.00 59.98 58.96 3kz1 h ARG 800 Cb 1.06 0.14 -0.15 0.00 -1.39 0.00 0.00 29.97 29.63 3kz1 h ARG 800 CO -0.04 1.15 0.44 0.93 2.80 0.00 0.00 179.97 185.25 3kz1 h GLU 801 N 0.32 0.27 -1.33 0.20 5.08 -0.49 0.23 114.58 118.85 3kz1 h GLU 801 Ca -0.08 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 3kz1 h GLU 801 Cb 1.53 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.70 3kz1 h GLU 801 CO 0.16 0.18 0.06 -0.85 -1.00 0.00 0.00 179.01 177.56 3kz1 n GLU 802 N -5.13 1.11 0.00 2.33 0.28 -1.22 -4.92 120.64 113.09 3kz1 n GLU 802 Ca 0.28 -0.25 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 3kz1 n GLU 802 Cb 0.88 -1.10 0.00 0.00 1.43 0.00 0.00 31.44 32.65 3kz1 n GLU 802 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3kz1 n GLY 803 N 0.70 3.34 0.25 -1.84 0.00 0.80 -4.91 105.19 103.54 3kz1 n GLY 803 Ca 0.05 -1.79 -0.00 0.00 0.00 0.00 0.00 46.02 44.28 3kz1 n GLY 803 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kz1 h PRO 804 N 0.00 0.44 -6.08 1.61 0.13 -1.92 -3.41 132.00 122.77 3kz1 h PRO 804 Ca 0.00 -0.11 -0.56 0.00 -0.87 0.00 0.00 66.00 64.46 3kz1 h PRO 804 Cb 0.00 -0.05 -0.05 0.00 0.13 0.00 0.00 31.00 31.03 3kz1 h PRO 804 CO 0.00 0.54 0.14 0.42 -0.23 0.00 0.00 178.00 178.87 3kz1 s ILE 805 N -4.79 5.02 -0.18 -3.56 1.01 -1.26 -5.06 121.20 112.37 3kz1 s ILE 805 Ca -0.07 1.54 -0.12 0.00 0.00 0.00 0.00 60.65 62.00 3kz1 s ILE 805 Cb 0.15 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.49 3kz1 s ILE 805 CO 0.76 0.23 0.21 -0.63 0.00 0.00 0.00 174.94 175.51 3kz1 s ILE 806 N 0.89 5.36 0.00 2.92 1.09 -1.26 -5.03 121.20 125.17 3kz1 s ILE 806 Ca 0.40 0.37 0.00 0.00 -1.10 0.00 0.00 60.65 60.31 3kz1 s ILE 806 Cb -0.18 -3.55 0.00 0.00 -1.06 0.00 0.00 42.46 37.67 3kz1 s ILE 806 CO 0.19 0.41 0.00 0.29 -0.10 0.00 0.00 174.94 175.74 3kz1 n LYS 807 N 3.56 0.00 -1.68 2.79 4.01 -1.26 -4.97 118.16 120.60 3kz1 n LYS 807 Ca -0.14 0.00 -0.38 0.00 -0.51 0.00 0.00 58.31 57.28 3kz1 n LYS 807 Cb 0.52 0.00 0.06 0.00 -0.51 0.00 0.00 35.03 35.10 3kz1 n LYS 807 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 3kz1 n GLU 808 N 0.00 1.12 0.00 1.97 1.02 -1.26 -4.92 120.64 118.57 3kz1 n GLU 808 Ca 0.00 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 3kz1 n GLU 808 Cb 0.00 -2.39 0.00 0.00 -0.02 0.00 0.00 31.44 29.03 3kz1 n GLU 808 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 3kz1 n ILE 809 N -1.67 0.00 -0.24 -3.67 3.06 -1.26 -4.85 119.36 110.73 3kz1 n ILE 809 Ca 0.14 -0.03 0.04 0.00 -2.50 0.00 0.00 62.75 60.40 3kz1 n ILE 809 Cb 0.47 1.19 0.16 0.00 0.54 0.00 0.00 39.64 42.00 3kz1 n ILE 809 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 3kz1 h SER 810 N 0.00 0.18 -0.35 9.51 0.02 -1.91 -2.15 113.55 118.85 3kz1 h SER 810 Ca 0.00 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3kz1 h SER 810 Cb 0.10 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 3kz1 h SER 810 CO 0.00 0.07 0.23 0.44 -1.14 0.00 0.00 176.83 176.43 3kz1 h ASP 811 N 0.38 0.40 -0.92 3.07 3.32 -1.98 -1.40 116.42 119.28 3kz1 h ASP 811 Ca 0.38 -0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.50 3kz1 h ASP 811 Cb 0.57 -0.10 -0.07 0.00 0.22 0.00 0.00 39.33 39.95 3kz1 h ASP 811 CO -0.40 0.29 0.57 0.25 -1.72 0.00 0.00 179.24 178.23 3kz1 h LEU 812 N 0.47 0.88 0.36 1.55 6.46 -1.77 -0.73 115.31 122.53 3kz1 h LEU 812 Ca 0.13 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.90 3kz1 h LEU 812 Cb -0.05 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 39.73 3kz1 h LEU 812 CO -0.03 0.53 -0.18 0.24 -0.62 0.00 0.00 178.44 178.38 3kz1 h MET 813 N 0.99 -0.47 -0.04 1.25 2.86 -0.97 -2.79 114.93 115.76 3kz1 h MET 813 Ca 0.42 0.03 0.01 0.00 -2.06 0.00 0.00 59.70 58.11 3kz1 h MET 813 Cb 0.29 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 3kz1 h MET 813 CO -0.21 -0.18 0.13 -0.07 1.06 0.00 0.00 176.91 177.64 3kz1 h LEU 814 N -0.75 0.00 -1.34 1.22 3.38 -0.94 0.35 115.31 117.24 3kz1 h LEU 814 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3kz1 h LEU 814 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3kz1 h LEU 814 CO 0.08 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.61 3kz1 h ALA 815 N 1.78 1.00 0.00 1.53 0.00 -0.85 -2.68 119.26 120.03 3kz1 h ALA 815 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3kz1 h ALA 815 Cb 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3kz1 h ALA 815 CO -0.00 0.00 -1.19 -2.13 0.00 0.00 0.00 179.25 175.93 3kz1 n ARG 816 N -2.55 0.43 -0.18 0.00 0.00 0.11 -4.79 116.66 109.68 3kz1 n ARG 816 Ca 0.00 0.02 0.07 0.00 -0.00 0.00 0.00 57.85 57.94 3kz1 n ARG 816 Cb 0.18 -1.07 0.16 0.00 0.00 0.00 0.00 32.46 31.74 3kz1 n ARG 816 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3kz1 n PHE 817 N -2.55 0.47 -4.87 -0.14 3.72 -0.21 -3.38 117.46 110.50 3kz1 n PHE 817 Ca -0.06 -0.43 -0.26 0.00 -0.05 0.00 0.00 57.45 56.65 3kz1 n PHE 817 Cb 0.57 -0.02 -0.15 0.00 -0.94 0.00 0.00 39.48 38.94 3kz1 n PHE 817 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3kz1 s ASP 818 N -1.01 2.30 1.47 4.37 2.15 -1.01 -4.54 116.67 120.39 3kz1 s ASP 818 Ca 0.26 -0.39 0.00 0.00 0.43 0.00 0.00 52.55 52.85 3kz1 s ASP 818 Cb 0.14 -0.24 0.00 0.00 -0.30 0.00 0.00 42.92 42.52 3kz1 s ASP 818 CO 0.18 0.22 0.00 0.61 -0.17 0.00 0.00 175.17 176.01 3kz1 n GLY 819 N 2.43 3.78 0.25 2.66 0.00 -1.26 -2.50 105.19 110.55 3kz1 n GLY 819 Ca -0.15 0.21 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 3kz1 n GLY 819 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kz1 h PRO 820 N 0.00 0.44 -0.25 1.61 0.11 -1.97 -2.41 132.00 129.53 3kz1 h PRO 820 Ca 0.00 -0.12 -0.16 0.00 0.11 0.00 0.00 66.00 65.83 3kz1 h PRO 820 Cb 0.00 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 3kz1 h PRO 820 CO 0.00 0.57 -0.49 0.00 -0.21 0.00 0.00 178.00 177.87 3kz1 h ALA 821 N 1.46 0.67 -0.22 -0.75 0.00 -1.76 -2.37 119.26 116.29 3kz1 h ALA 821 Ca 0.08 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 54.51 3kz1 h ALA 821 Cb 0.47 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3kz1 h ALA 821 CO 0.03 0.68 0.12 -0.09 0.00 0.00 0.00 179.25 179.98 3kz1 h ARG 822 N 0.54 0.24 -0.41 0.00 2.43 -1.41 -1.79 114.38 113.97 3kz1 h ARG 822 Ca 0.02 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3kz1 h ARG 822 Cb 1.05 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.51 3kz1 h ARG 822 CO 0.10 0.16 0.24 0.93 -1.51 0.00 0.00 179.97 179.89 3kz1 h GLU 823 N 0.24 0.47 -0.44 0.20 4.39 -1.41 -1.72 114.58 116.32 3kz1 h GLU 823 Ca 0.09 -0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.82 3kz1 h GLU 823 Cb 0.01 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.50 3kz1 h GLU 823 CO -0.05 0.31 0.12 1.49 -1.16 0.00 0.00 179.01 179.72 3kz1 h GLU 824 N 0.49 0.26 0.48 2.33 4.81 -1.26 -1.29 114.58 120.40 3kz1 h GLU 824 Ca 0.17 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3kz1 h GLU 824 Cb 0.01 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3kz1 h GLU 824 CO -0.08 0.17 -0.23 1.25 -0.73 0.00 0.00 179.01 179.40 3kz1 h LEU 825 N 0.27 -0.54 -1.90 1.64 5.85 -1.08 -1.95 115.31 117.59 3kz1 h LEU 825 Ca 0.21 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 3kz1 h LEU 825 Cb 0.24 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 3kz1 h LEU 825 CO -0.25 -0.13 -0.12 0.06 -0.34 0.00 0.00 178.44 177.67 3kz1 h GLN 826 N -1.10 0.00 0.20 1.25 3.07 -1.31 0.47 115.11 117.68 3kz1 h GLN 826 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.67 3kz1 h GLN 826 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.11 3kz1 h GLN 826 CO 0.11 0.12 -0.09 0.37 0.09 0.00 0.00 178.83 179.42 3kz1 h GLN 827 N 0.00 -0.25 -0.43 0.06 4.15 -1.23 -1.68 115.11 115.73 3kz1 h GLN 827 Ca -0.00 0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.37 3kz1 h GLN 827 Cb 0.26 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 3kz1 h GLN 827 CO 0.02 0.14 0.00 0.28 -1.93 0.00 0.00 178.83 177.34 3kz1 h VAL 828 N -0.78 1.26 -0.73 2.39 2.07 -0.72 -1.83 116.25 117.91 3kz1 h VAL 828 Ca -0.03 -1.02 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 3kz1 h VAL 828 Cb 0.51 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3kz1 h VAL 828 CO 0.04 0.35 0.30 0.00 0.02 0.00 0.00 177.57 178.28 3kz1 h ALA 829 N 0.90 0.94 -0.49 1.67 0.00 -0.21 -2.09 119.26 119.99 3kz1 h ALA 829 Ca 0.12 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3kz1 h ALA 829 Cb 0.48 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3kz1 h ALA 829 CO 0.02 0.56 0.31 0.00 0.00 0.00 0.00 179.25 180.14 3kz1 h ALA 830 N 1.14 0.62 -0.58 0.00 0.00 -1.07 -0.01 119.26 119.36 3kz1 h ALA 830 Ca 0.24 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 3kz1 h ALA 830 Cb 0.20 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3kz1 h ALA 830 CO -0.02 0.02 0.18 0.37 0.00 0.00 0.00 179.25 179.80 3kz1 h GLN 831 N 0.62 0.91 -0.52 0.00 4.15 -1.20 -1.30 115.11 117.77 3kz1 h GLN 831 Ca 0.19 -0.20 -0.09 0.00 0.77 0.00 0.00 58.65 59.32 3kz1 h GLN 831 Cb -0.02 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 3kz1 h GLN 831 CO -0.07 0.82 -0.02 0.35 -1.93 0.00 0.00 178.83 177.98 3kz1 h PHE 832 N 0.83 0.98 0.00 3.99 3.57 -0.90 -3.28 116.94 122.13 3kz1 h PHE 832 Ca 0.19 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3kz1 h PHE 832 Cb 0.29 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.77 3kz1 h PHE 832 CO 0.02 0.90 -0.99 0.00 -2.23 0.00 0.00 178.31 176.01 3kz1 h SER 834 N 0.00 -0.71 1.24 0.00 0.02 -1.29 -3.00 113.55 109.80 3kz1 h SER 834 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3kz1 h SER 834 Cb 0.93 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.69 3kz1 h SER 834 CO 0.00 -0.38 0.00 0.00 -1.14 0.00 0.00 176.83 175.31 3kz1 n TYR 835 N -3.98 0.67 -0.28 3.45 9.36 -1.26 -4.55 117.16 120.57 3kz1 n TYR 835 Ca -0.07 0.20 0.05 0.00 3.32 0.00 0.00 57.90 61.41 3kz1 n TYR 835 Cb 0.26 -0.83 0.15 0.00 -0.63 0.00 0.00 39.34 38.28 3kz1 n TYR 835 CO 0.00 0.00 0.00 0.37 0.22 0.00 0.00 176.86 177.45 3kz1 h GLN 836 N 0.00 0.04 -0.51 2.98 4.15 -1.72 0.10 115.11 120.15 3kz1 h GLN 836 Ca 0.00 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 3kz1 h GLN 836 Cb 0.62 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.27 3kz1 h GLN 836 CO 0.00 0.03 0.24 0.66 -1.93 0.00 0.00 178.83 177.82 3kz1 h SER 837 N 0.04 0.65 -0.17 -0.69 4.64 -1.80 0.11 113.55 116.33 3kz1 h SER 837 Ca 0.43 -0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 61.62 3kz1 h SER 837 Cb 0.74 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3kz1 h SER 837 CO -0.79 0.56 -0.16 0.40 -0.87 0.00 0.00 176.83 175.97 3kz1 h ILE 838 N 0.72 1.34 -0.42 0.95 5.03 -1.15 -2.70 117.51 121.27 3kz1 h ILE 838 Ca 0.18 -1.32 -0.07 0.00 -0.12 0.00 0.00 64.86 63.53 3kz1 h ILE 838 Cb 0.09 1.81 -0.02 0.00 -3.03 0.00 0.00 36.82 35.68 3kz1 h ILE 838 CO -0.02 0.39 -0.04 0.00 -0.68 0.00 0.00 178.15 177.80 3kz1 h ALA 839 N 0.63 1.15 -0.50 1.87 0.00 -0.86 -0.51 119.26 121.04 3kz1 h ALA 839 Ca 0.03 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 3kz1 h ALA 839 Cb 0.70 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3kz1 h ALA 839 CO 0.04 0.55 -0.05 -0.07 0.00 0.00 0.00 179.25 179.72 3kz1 h LEU 840 N 0.65 0.85 -0.85 0.00 3.38 -0.83 -1.41 115.31 117.09 3kz1 h LEU 840 Ca 0.13 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 3kz1 h LEU 840 Cb 0.46 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3kz1 h LEU 840 CO 0.02 0.94 -0.55 -0.08 0.09 0.00 0.00 178.44 178.87 3kz1 h GLU 841 N 0.79 0.00 0.02 1.13 4.22 -1.08 0.12 114.58 119.79 3kz1 h GLU 841 Ca 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.58 3kz1 h GLU 841 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3kz1 h GLU 841 CO 0.03 0.55 -0.01 1.25 -2.18 0.00 0.00 179.01 178.65 3kz1 h LEU 842 N 0.00 -0.03 -0.93 1.64 7.12 -0.85 -2.19 115.31 120.07 3kz1 h LEU 842 Ca -0.01 -0.47 -0.04 0.00 0.13 0.00 0.00 57.88 57.49 3kz1 h LEU 842 Cb 1.01 0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 41.11 3kz1 h LEU 842 CO 0.07 0.47 0.30 0.40 -0.13 0.00 0.00 178.44 179.54 3kz1 h ILE 843 N -0.53 1.24 -0.32 4.05 5.03 -1.21 -0.27 117.51 125.51 3kz1 h ILE 843 Ca -0.00 -0.76 -0.00 0.00 -0.12 0.00 0.00 64.86 63.98 3kz1 h ILE 843 Cb 0.50 0.37 -0.02 0.00 -3.03 0.00 0.00 36.82 34.64 3kz1 h ILE 843 CO 0.01 0.31 0.19 0.50 -0.68 0.00 0.00 178.15 178.48 3kz1 h LYS 844 N 1.05 0.43 -0.21 2.37 3.64 -0.75 0.16 116.57 123.27 3kz1 h LYS 844 Ca 0.25 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.62 3kz1 h LYS 844 Cb 0.19 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 3kz1 h LYS 844 CO -0.02 0.33 0.02 1.15 -2.27 0.00 0.00 179.45 178.66 3kz1 h THR 845 N 0.41 0.88 -0.14 1.00 2.02 -1.23 -2.61 112.91 113.24 3kz1 h THR 845 Ca 0.11 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.26 3kz1 h THR 845 Cb 0.01 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 3kz1 h THR 845 CO -0.02 0.02 0.09 0.50 0.37 0.00 0.00 175.52 176.48 3kz1 h LYS 846 N 0.10 0.19 -0.28 6.66 3.64 -0.64 -1.90 116.57 124.33 3kz1 h LYS 846 Ca 0.10 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3kz1 h LYS 846 Cb 0.11 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 3kz1 h LYS 846 CO -0.14 0.13 0.13 1.96 -2.27 0.00 0.00 179.45 179.26 3kz1 h GLN 847 N 0.19 0.41 -0.28 1.90 4.20 -0.60 -1.20 115.11 119.73 3kz1 h GLN 847 Ca 0.05 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 3kz1 h GLN 847 Cb -0.02 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3kz1 h GLN 847 CO -0.01 0.40 0.17 0.00 -0.67 0.00 0.00 178.83 178.72 3kz1 h ARG 848 N 0.32 0.38 0.06 1.46 3.08 -1.13 -3.34 114.38 115.21 3kz1 h ARG 848 Ca 0.10 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 3kz1 h ARG 848 Cb 0.13 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3kz1 h ARG 848 CO -0.01 0.30 -0.03 0.87 -1.07 0.00 0.00 179.97 180.03 3kz1 h LYS 849 N 0.35 -0.08 -5.36 0.04 1.57 -1.48 -3.45 116.57 108.16 3kz1 h LYS 849 Ca 0.10 0.01 -0.60 0.00 -1.87 0.00 0.00 60.65 58.28 3kz1 h LYS 849 Cb 0.02 0.02 -0.12 0.00 0.08 0.00 0.00 32.23 32.23 3kz1 h LYS 849 CO -0.02 0.49 -0.32 -1.21 -0.57 0.00 0.00 179.45 177.82 3kz1 s GLU 850 N -2.78 4.18 0.44 3.15 2.02 -0.46 -4.93 118.70 120.32 3kz1 s GLU 850 Ca -0.13 0.04 0.20 0.00 0.02 0.00 0.00 54.97 55.10 3kz1 s GLU 850 Cb -0.01 -3.50 1.02 0.00 0.10 0.00 0.00 34.13 31.75 3kz1 s GLU 850 CO 0.50 0.08 1.92 0.66 0.02 0.00 0.00 175.26 178.44 3kz1 h SER 851 N 7.17 0.00 -0.24 -0.19 4.64 -1.85 -2.42 113.55 120.67 3kz1 h SER 851 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3kz1 h SER 851 Cb 1.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 3kz1 h SER 851 CO 0.72 0.25 0.15 -0.09 -0.87 0.00 0.00 176.83 176.99 3kz1 h ARG 852 N 0.00 0.31 -0.12 4.77 2.43 -1.92 0.40 114.38 120.26 3kz1 h ARG 852 Ca -0.00 -0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 58.96 3kz1 h ARG 852 Cb 0.55 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3kz1 h ARG 852 CO 0.03 0.21 -0.69 0.74 -1.51 0.00 0.00 179.97 178.76 3kz1 h PHE 853 N 0.32 0.67 0.20 2.20 -1.00 -1.81 -2.69 116.94 114.82 3kz1 h PHE 853 Ca 0.09 -0.28 -0.01 0.00 2.81 0.00 0.00 57.97 60.58 3kz1 h PHE 853 Cb -0.03 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.42 3kz1 h PHE 853 CO -0.06 1.04 -0.09 0.37 -1.61 0.00 0.00 178.31 177.95 3kz1 h GLN 854 N 0.36 -0.25 -0.47 1.51 5.75 -1.11 -1.39 115.11 119.51 3kz1 h GLN 854 Ca -0.02 0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.57 3kz1 h GLN 854 Cb 1.26 0.06 -0.06 0.00 1.07 0.00 0.00 27.48 29.81 3kz1 h GLN 854 CO 0.12 -0.05 0.11 1.25 -2.65 0.00 0.00 178.83 177.61 3kz1 h LEU 855 N -0.42 0.04 0.42 -2.39 6.46 -0.23 -1.31 115.31 117.88 3kz1 h LEU 855 Ca -0.03 0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.79 3kz1 h LEU 855 Cb 0.32 0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.35 3kz1 h LEU 855 CO 0.04 0.05 -0.23 0.15 -0.62 0.00 0.00 178.44 177.83 3kz1 h PHE 856 N 0.25 -0.60 0.00 1.25 3.04 -1.36 -2.17 116.94 117.34 3kz1 h PHE 856 Ca 0.23 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.15 3kz1 h PHE 856 Cb 0.29 0.21 -0.00 0.00 2.56 0.00 0.00 35.95 39.00 3kz1 h PHE 856 CO -0.21 -0.36 -0.10 0.52 -2.02 0.00 0.00 178.31 176.14 3kz1 h MET 857 N -0.61 0.00 -0.05 1.11 2.86 -1.07 0.19 114.93 117.36 3kz1 h MET 857 Ca -0.05 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3kz1 h MET 857 Cb 0.49 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 3kz1 h MET 857 CO 0.07 0.10 0.03 0.37 1.06 0.00 0.00 176.91 178.54 3kz1 h GLN 858 N 0.00 0.08 -0.46 1.72 4.15 -1.11 0.31 115.11 119.80 3kz1 h GLN 858 Ca -0.00 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 3kz1 h GLN 858 Cb 0.18 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 3kz1 h GLN 858 CO 0.01 0.17 0.13 0.93 -1.93 0.00 0.00 178.83 178.14 3kz1 h GLU 859 N -0.03 0.72 -0.23 1.69 4.39 -0.89 -2.71 114.58 117.53 3kz1 h GLU 859 Ca 0.02 -0.17 -0.09 0.00 0.34 0.00 0.00 59.36 59.47 3kz1 h GLU 859 Cb 0.12 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 3kz1 h GLU 859 CO -0.00 0.71 -0.20 0.00 -1.16 0.00 0.00 179.01 178.36 3kz1 h ALA 860 N 0.98 0.33 0.00 3.43 0.00 -0.94 -3.05 119.26 120.02 3kz1 h ALA 860 Ca 0.15 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3kz1 h ALA 860 Cb 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3kz1 h ALA 860 CO -0.00 0.27 0.00 0.93 0.00 0.00 0.00 179.25 180.45 3kz1 h GLU 861 N 0.24 0.00 0.00 0.00 5.08 -0.99 -2.88 114.58 116.04 3kz1 h GLU 861 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3kz1 h GLU 861 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3kz1 h GLU 861 CO 0.05 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.72 3kz1 h SER 862 N 0.00 0.00 -3.03 1.42 4.64 -1.37 -3.41 113.55 111.80 3kz1 h SER 862 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 3kz1 h SER 862 Cb 0.73 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.91 3kz1 h SER 862 CO 0.00 0.00 0.71 1.57 -0.87 0.00 0.00 176.83 178.24 3kz1 n HIS 863 N -2.91 2.47 0.06 4.77 -0.00 -1.09 -4.85 115.22 113.68 3kz1 n HIS 863 Ca 0.04 0.38 0.04 0.00 -0.00 0.00 0.00 57.72 58.18 3kz1 n HIS 863 Cb 0.49 -2.51 0.44 0.00 -0.00 0.00 0.00 29.99 28.41 3kz1 n HIS 863 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3kz1 h PRO 864 N 4.16 0.41 0.00 1.57 0.11 -1.90 -2.19 132.00 134.17 3kz1 h PRO 864 Ca -0.46 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3kz1 h PRO 864 Cb 1.26 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3kz1 h PRO 864 CO 0.75 0.33 -0.05 0.37 -0.21 0.00 0.00 178.00 179.18 3kz1 h GLN 865 N 0.41 0.00 0.00 1.05 5.75 -1.95 0.30 115.11 120.68 3kz1 h GLN 865 Ca 0.11 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.56 3kz1 h GLN 865 Cb 0.06 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 3kz1 h GLN 865 CO -0.01 0.05 -0.23 0.00 -2.65 0.00 0.00 178.83 175.98 3kz1 n ARG 867 N -3.49 -6.51 -3.68 0.00 5.12 0.11 -2.49 116.66 105.73 3kz1 n ARG 867 Ca -0.00 0.78 -0.23 0.00 -1.93 0.00 0.00 57.85 56.46 3kz1 n ARG 867 Cb 0.40 -5.71 0.05 0.00 -1.16 0.00 0.00 32.46 26.05 3kz1 n ARG 867 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3kz1 n ARG 868 N -4.40 -6.18 -4.67 5.56 5.12 -1.26 -5.02 116.66 105.81 3kz1 n ARG 868 Ca -0.20 0.71 -0.29 0.00 -1.93 0.00 0.00 57.85 56.14 3kz1 n ARG 868 Cb 0.64 -5.58 -0.14 0.00 -1.16 0.00 0.00 32.46 26.22 3kz1 n ARG 868 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3kz1 s LEU 869 N -6.93 2.23 0.73 0.55 1.43 -1.04 -5.14 118.68 110.52 3kz1 s LEU 869 Ca 0.32 -0.65 -0.09 0.00 -1.03 0.00 0.00 54.13 52.68 3kz1 s LEU 869 Cb -0.15 -1.23 0.06 0.00 0.03 0.00 0.00 46.19 44.89 3kz1 s LEU 869 CO 0.78 0.22 1.07 -1.10 0.23 0.00 0.00 176.35 177.54 3kz1 s GLN 870 N -1.59 2.28 0.15 1.70 -0.21 -1.26 -4.85 119.66 115.87 3kz1 s GLN 870 Ca 0.12 -0.01 -0.20 0.00 0.02 0.00 0.00 55.36 55.29 3kz1 s GLN 870 Cb -0.10 -2.09 0.03 0.00 1.00 0.00 0.00 33.01 31.85 3kz1 s GLN 870 CO 0.04 -1.28 1.67 1.25 -2.12 0.00 0.00 175.29 174.85 3kz1 h LEU 871 N -0.72 -0.41 -1.83 2.90 6.46 -1.98 -2.28 115.31 117.45 3kz1 h LEU 871 Ca -0.45 0.10 0.13 0.00 -0.12 0.00 0.00 57.88 57.54 3kz1 h LEU 871 Cb 1.31 0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 41.44 3kz1 h LEU 871 CO 0.63 -0.16 0.38 0.08 -0.62 0.00 0.00 178.44 178.76 3kz1 h ARG 872 N -0.08 0.17 -0.36 1.25 0.11 -1.98 0.20 114.38 113.69 3kz1 h ARG 872 Ca 0.14 -0.01 -0.13 0.00 0.10 0.00 0.00 59.98 60.08 3kz1 h ARG 872 Cb 0.29 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.32 3kz1 h ARG 872 CO -0.32 0.11 -0.31 -0.44 0.10 0.00 0.00 179.97 179.12 3kz1 h ASP 873 N 0.18 0.82 0.22 0.08 3.32 -1.80 -3.13 116.42 116.11 3kz1 h ASP 873 Ca 0.26 -0.33 -0.35 0.00 0.02 0.00 0.00 57.03 56.63 3kz1 h ASP 873 Cb 0.80 -0.23 0.02 0.00 0.22 0.00 0.00 39.33 40.14 3kz1 h ASP 873 CO -0.04 1.06 -1.68 -0.07 -1.72 0.00 0.00 179.24 176.79 3kz1 h LEU 874 N 0.67 0.67 -1.22 1.55 3.38 -0.47 -3.35 115.31 116.54 3kz1 h LEU 874 Ca 0.07 -0.92 -0.04 0.00 0.09 0.00 0.00 57.88 57.09 3kz1 h LEU 874 Cb 0.84 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3kz1 h LEU 874 CO 0.07 1.76 -0.20 -0.29 0.09 0.00 0.00 178.44 179.87 3kz1 h ILE 875 N 0.12 0.52 0.00 1.22 2.10 -0.90 -2.70 117.51 117.86 3kz1 h ILE 875 Ca -0.32 -1.03 0.00 0.00 1.08 0.00 0.00 64.86 64.59 3kz1 h ILE 875 Cb 2.12 1.71 0.00 0.00 -1.09 0.00 0.00 36.82 39.56 3kz1 h ILE 875 CO 0.20 0.20 0.00 0.00 -1.08 0.00 0.00 178.15 177.47 3kz1 n ILE 876 N -3.40 0.00 -0.20 2.19 0.13 -1.18 -4.15 119.36 112.75 3kz1 n ILE 876 Ca -0.00 0.00 -0.06 0.00 -1.10 0.00 0.00 62.75 61.59 3kz1 n ILE 876 Cb 0.40 -0.51 0.03 0.00 -0.84 0.00 0.00 39.64 38.72 3kz1 n ILE 876 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 3kz1 h SER 877 N 0.00 0.66 0.14 9.51 0.02 -1.67 -1.33 113.55 120.88 3kz1 h SER 877 Ca 0.00 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3kz1 h SER 877 Cb 0.00 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 3kz1 h SER 877 CO 0.00 0.48 -0.10 -0.08 -1.14 0.00 0.00 176.83 175.99 3kz1 h GLU 878 N 0.78 -0.24 -0.27 3.45 4.57 -1.83 0.67 114.58 121.71 3kz1 h GLU 878 Ca 0.21 0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.47 3kz1 h GLU 878 Cb -0.09 0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 28.48 3kz1 h GLU 878 CO -0.05 -0.16 -0.40 0.52 -1.18 0.00 0.00 179.01 177.74 3kz1 h MET 879 N -0.25 -0.37 -0.91 1.92 2.86 -1.81 0.11 114.93 116.49 3kz1 h MET 879 Ca -0.01 0.03 0.16 0.00 -2.06 0.00 0.00 59.70 57.82 3kz1 h MET 879 Cb 0.22 0.08 -0.07 0.00 0.06 0.00 0.00 31.60 31.89 3kz1 h MET 879 CO -0.00 -0.25 0.58 1.96 1.06 0.00 0.00 176.91 180.26 3kz1 h GLN 880 N -0.39 0.62 -0.14 1.72 4.20 -1.06 -1.64 115.11 118.42 3kz1 h GLN 880 Ca 0.11 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.67 3kz1 h GLN 880 Cb 0.59 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.23 3kz1 h GLN 880 CO -0.48 0.41 -0.37 -0.09 -0.67 0.00 0.00 178.83 177.63 3kz1 h ARG 881 N 0.64 0.51 -0.45 1.46 9.65 0.07 -1.95 114.38 124.31 3kz1 h ARG 881 Ca 0.47 -0.35 -0.00 0.00 -1.10 0.00 0.00 59.98 58.99 3kz1 h ARG 881 Cb 0.83 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.45 3kz1 h ARG 881 CO -0.22 0.97 0.26 -0.07 2.80 0.00 0.00 179.97 183.72 3kz1 h LEU 882 N 0.13 0.54 0.00 3.80 -0.00 0.09 -1.40 115.31 118.46 3kz1 h LEU 882 Ca -0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 3kz1 h LEU 882 Cb 0.99 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.51 3kz1 h LEU 882 CO 0.08 0.42 -0.40 0.00 -0.00 0.00 0.00 178.44 178.55 3kz1 h THR 883 N 0.62 0.00 0.15 0.22 1.03 -1.32 -3.29 112.91 110.32 3kz1 h THR 883 Ca 0.16 -0.87 -0.29 0.00 -0.01 0.00 0.00 66.41 65.40 3kz1 h THR 883 Cb -0.01 1.66 0.01 0.00 -1.07 0.00 0.00 68.15 68.74 3kz1 h THR 883 CO -0.03 0.00 -1.31 0.50 -0.01 0.00 0.00 175.52 174.67 3kz1 h LYS 884 N 0.00 0.31 -0.72 0.00 1.63 -0.46 -3.38 116.57 113.95 3kz1 h LYS 884 Ca 0.00 -0.53 0.13 0.00 -0.85 0.00 0.00 60.65 59.39 3kz1 h LYS 884 Cb 0.94 0.20 -0.13 0.00 -0.60 0.00 0.00 32.23 32.63 3kz1 h LYS 884 CO 0.00 1.25 -0.32 1.88 -3.45 0.00 0.00 179.45 178.80 3kz1 h TYR 885 N 0.08 -0.87 -0.42 1.91 0.05 -1.44 -0.64 116.97 115.65 3kz1 h TYR 885 Ca -0.16 0.08 0.02 0.00 0.05 0.00 0.00 58.73 58.72 3kz1 h TYR 885 Cb 2.01 0.49 -0.02 0.00 1.01 0.00 0.00 36.73 40.21 3kz1 h TYR 885 CO 0.07 -0.38 0.28 -1.35 -1.05 0.00 0.00 178.16 175.74 3kz1 h PRO 886 N -0.10 0.47 -0.18 4.88 0.11 -1.75 0.43 132.00 135.85 3kz1 h PRO 886 Ca 0.28 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 66.19 3kz1 h PRO 886 Cb 0.57 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 3kz1 h PRO 886 CO -0.77 0.31 -0.60 -0.07 -0.21 0.00 0.00 178.00 176.65 3kz1 h LEU 887 N 0.48 0.70 -0.24 2.35 4.07 -1.46 -2.00 115.31 119.21 3kz1 h LEU 887 Ca 0.17 -0.40 -0.05 0.00 0.08 0.00 0.00 57.88 57.68 3kz1 h LEU 887 Cb 0.08 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.61 3kz1 h LEU 887 CO -0.04 1.14 -0.03 -0.07 -1.08 0.00 0.00 178.44 178.36 3kz1 h LEU 888 N 0.46 0.44 -0.60 1.67 4.07 0.37 -2.75 115.31 118.98 3kz1 h LEU 888 Ca -0.00 -0.34 -0.03 0.00 0.08 0.00 0.00 57.88 57.59 3kz1 h LEU 888 Cb 1.17 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.77 3kz1 h LEU 888 CO 0.12 0.68 0.28 -0.07 -1.08 0.00 0.00 178.44 178.37 3kz1 h LEU 889 N 0.20 0.80 -0.89 1.67 3.38 -1.03 -2.44 115.31 117.00 3kz1 h LEU 889 Ca 0.06 -0.14 0.14 0.00 0.09 0.00 0.00 57.88 58.04 3kz1 h LEU 889 Cb 0.47 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 40.92 3kz1 h LEU 889 CO 0.02 0.72 0.50 -0.08 0.09 0.00 0.00 178.44 179.68 3kz1 h GLU 890 N 0.83 0.70 -0.46 1.13 4.57 -1.26 0.38 114.58 120.47 3kz1 h GLU 890 Ca 0.21 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 58.21 3kz1 h GLU 890 Cb 0.14 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 3kz1 h GLU 890 CO -0.02 0.46 -0.23 1.03 -1.18 0.00 0.00 179.01 179.07 3kz1 h SER 891 N 0.72 0.98 -0.48 1.04 0.87 -1.15 -0.63 113.55 114.90 3kz1 h SER 891 Ca 0.48 -0.37 -0.09 0.00 -1.23 0.00 0.00 61.79 60.57 3kz1 h SER 891 Cb 0.63 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 3kz1 h SER 891 CO -0.33 1.16 -0.03 0.40 -0.53 0.00 0.00 176.83 177.49 3kz1 h ILE 892 N 0.82 1.26 -0.66 2.23 2.04 -0.66 -2.37 117.51 120.18 3kz1 h ILE 892 Ca 0.10 -1.12 -0.02 0.00 1.00 0.00 0.00 64.86 64.83 3kz1 h ILE 892 Cb 0.80 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 3kz1 h ILE 892 CO 0.07 0.40 0.35 0.40 0.00 0.00 0.00 178.15 179.36 3kz1 h ILE 893 N 0.84 1.21 -0.27 -0.67 2.04 -0.72 -2.68 117.51 117.26 3kz1 h ILE 893 Ca 0.15 -0.55 0.08 0.00 1.00 0.00 0.00 64.86 65.54 3kz1 h ILE 893 Cb 0.54 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3kz1 h ILE 893 CO 0.03 0.23 0.24 0.50 0.00 0.00 0.00 178.15 179.15 3kz1 h LYS 894 N 0.90 0.00 -0.38 2.37 1.63 -0.57 -0.15 116.57 120.36 3kz1 h LYS 894 Ca 0.23 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.88 3kz1 h LYS 894 Cb 0.06 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 31.60 3kz1 h LYS 894 CO -0.03 0.00 0.02 0.72 -3.45 0.00 0.00 179.45 176.70 3kz1 n HIS 895 N -4.05 1.23 -4.56 1.91 8.25 -1.02 -5.01 115.22 111.97 3kz1 n HIS 895 Ca 0.04 -1.36 -0.32 0.00 -0.26 0.00 0.00 57.72 55.82 3kz1 n HIS 895 Cb 0.39 -0.47 -0.11 0.00 1.12 0.00 0.00 29.99 30.91 3kz1 n HIS 895 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3kz1 s THR 896 N -3.10 3.36 -0.25 1.59 2.01 -0.07 -4.76 115.64 114.43 3kz1 s THR 896 Ca 0.45 -0.87 -0.33 0.00 0.31 0.00 0.00 61.69 61.25 3kz1 s THR 896 Cb 0.39 -2.43 -0.10 0.00 0.01 0.00 0.00 72.50 70.37 3kz1 s THR 896 CO 0.04 0.40 2.11 -0.62 -0.69 0.00 0.00 174.62 175.86 3kz1 n GLU 897 N 1.64 1.59 -1.68 4.92 -0.58 -1.26 -4.90 120.64 120.37 3kz1 n GLU 897 Ca -0.16 0.49 -0.44 0.00 -0.42 0.00 0.00 57.16 56.62 3kz1 n GLU 897 Cb 0.52 -2.71 -0.03 0.00 -0.57 0.00 0.00 31.44 28.66 3kz1 n GLU 897 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kz1 n GLY 898 N 5.74 0.84 3.03 0.62 0.00 -1.26 -2.61 105.19 111.55 3kz1 n GLY 898 Ca 0.33 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.85 3kz1 n GLY 898 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kz1 n GLY 899 N 2.17 2.01 3.80 -0.02 0.00 -1.26 -5.03 105.19 106.86 3kz1 n GLY 899 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3kz1 n GLY 899 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kz1 s THR 900 N -3.42 3.71 0.23 2.61 2.01 -1.07 -4.89 115.64 114.81 3kz1 s THR 900 Ca 0.00 0.65 -0.07 0.00 0.31 0.00 0.00 61.69 62.58 3kz1 s THR 900 Cb 0.00 -3.24 0.18 0.00 0.01 0.00 0.00 72.50 69.44 3kz1 s THR 900 CO 0.00 -0.64 1.79 -1.28 -0.69 0.00 0.00 174.62 173.80 3kz1 h SER 901 N -0.43 0.52 -0.62 3.53 0.87 -1.96 -0.38 113.55 115.07 3kz1 h SER 901 Ca -0.45 0.05 0.11 0.00 -1.23 0.00 0.00 61.79 60.28 3kz1 h SER 901 Cb 1.22 -0.04 -0.08 0.00 -0.44 0.00 0.00 62.40 63.06 3kz1 h SER 901 CO 0.55 0.30 0.18 -0.08 -0.53 0.00 0.00 176.83 177.26 3kz1 h GLU 902 N 0.65 0.32 0.10 2.24 4.57 -1.92 -1.49 114.58 119.04 3kz1 h GLU 902 Ca 0.35 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.51 3kz1 h GLU 902 Cb 0.34 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 3kz1 h GLU 902 CO -0.25 0.21 -0.05 1.25 -1.18 0.00 0.00 179.01 178.99 3kz1 h HIS 903 N 0.33 -0.12 -0.14 0.92 2.76 -1.33 -2.25 115.15 115.31 3kz1 h HIS 903 Ca 0.33 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.49 3kz1 h HIS 903 Cb 0.47 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.46 3kz1 h HIS 903 CO -0.21 -0.01 0.05 1.49 -1.30 0.00 0.00 177.93 177.96 3kz1 h GLU 904 N -0.21 0.21 -0.87 5.26 4.81 -1.14 -2.50 114.58 120.13 3kz1 h GLU 904 Ca -0.01 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3kz1 h GLU 904 Cb 0.17 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 3kz1 h GLU 904 CO 0.02 0.32 0.58 0.87 -0.73 0.00 0.00 179.01 180.07 3kz1 h LYS 905 N 0.07 1.14 -0.47 1.92 1.57 -1.30 -2.03 116.57 117.47 3kz1 h LYS 905 Ca 0.05 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3kz1 h LYS 905 Cb 0.18 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3kz1 h LYS 905 CO -0.00 0.76 0.21 -0.07 -0.57 0.00 0.00 179.45 179.78 3kz1 h LEU 906 N 1.18 0.63 -0.52 2.94 3.38 -1.28 -0.48 115.31 121.16 3kz1 h LEU 906 Ca 0.32 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.22 3kz1 h LEU 906 Cb -0.13 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.40 3kz1 h LEU 906 CO -0.07 0.61 0.19 0.00 0.09 0.00 0.00 178.44 179.26 3kz1 h ARG 908 N 0.38 -0.70 -1.05 0.00 2.43 -1.07 -0.14 114.38 114.23 3kz1 h ARG 908 Ca 0.25 0.05 0.28 0.00 -0.81 0.00 0.00 59.98 59.75 3kz1 h ARG 908 Cb 0.27 0.16 -0.12 0.00 -0.42 0.00 0.00 29.97 29.86 3kz1 h ARG 908 CO -0.25 -0.46 0.64 0.00 -1.51 0.00 0.00 179.97 178.39 3kz1 h ALA 909 N -0.67 2.07 -0.10 2.80 0.00 -0.42 0.11 119.26 123.04 3kz1 h ALA 909 Ca -0.01 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3kz1 h ALA 909 Cb 0.71 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3kz1 h ALA 909 CO -0.24 -0.55 -0.22 -0.09 0.00 0.00 0.00 179.25 178.15 3kz1 h ARG 910 N 0.42 0.33 -0.42 0.00 2.43 -0.33 -2.29 114.38 114.52 3kz1 h ARG 910 Ca 0.66 -0.22 -0.00 0.00 -0.81 0.00 0.00 59.98 59.61 3kz1 h ARG 910 Cb 1.53 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 31.09 3kz1 h ARG 910 CO -0.43 0.82 0.26 -0.44 -1.51 0.00 0.00 179.97 178.67 3kz1 h ASP 911 N -0.11 0.50 -0.69 -3.80 3.32 0.89 -0.43 116.42 116.09 3kz1 h ASP 911 Ca 0.00 -0.05 0.10 0.00 0.02 0.00 0.00 57.03 57.11 3kz1 h ASP 911 Cb 0.81 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 3kz1 h ASP 911 CO 0.05 0.40 0.46 1.56 -1.72 0.00 0.00 179.24 179.98 3kz1 h GLN 912 N 0.55 0.50 -0.06 3.56 1.08 -0.91 -1.65 115.11 118.19 3kz1 h GLN 912 Ca 0.15 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.32 3kz1 h GLN 912 Cb -0.01 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.30 3kz1 h GLN 912 CO -0.03 0.33 0.03 0.00 -0.95 0.00 0.00 178.83 178.21 3kz1 h ARG 914 N -0.04 0.00 0.00 0.00 3.08 -1.04 -0.20 114.38 116.19 3kz1 h ARG 914 Ca 0.02 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.87 3kz1 h ARG 914 Cb 0.12 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 3kz1 h ARG 914 CO -0.00 0.00 -0.99 1.49 -1.07 0.00 0.00 179.97 179.40 3kz1 h GLU 915 N 0.00 0.00 0.03 0.04 4.57 -0.77 -2.83 114.58 115.63 3kz1 h GLU 915 Ca 0.12 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 58.05 3kz1 h GLU 915 Cb 0.53 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.13 3kz1 h GLU 915 CO -0.00 0.81 -1.02 0.82 -1.18 0.00 0.00 179.01 178.44 3kz1 h ILE 916 N 0.00 1.40 -0.17 2.32 2.04 0.60 -2.92 117.51 120.78 3kz1 h ILE 916 Ca -0.04 -2.53 0.01 0.00 1.00 0.00 0.00 64.86 63.30 3kz1 h ILE 916 Cb 1.71 2.52 -0.01 0.00 -0.74 0.00 0.00 36.82 40.30 3kz1 h ILE 916 CO 0.11 0.75 0.08 0.25 0.00 0.00 0.00 178.15 179.34 3kz1 h LEU 917 N 0.22 0.12 -0.97 1.44 6.46 -1.09 -1.81 115.31 119.69 3kz1 h LEU 917 Ca -0.10 0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.60 3kz1 h LEU 917 Cb 1.68 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 41.57 3kz1 h LEU 917 CO 0.18 0.10 0.03 0.11 -0.62 0.00 0.00 178.44 178.24 3kz1 h LYS 918 N 0.18 0.79 -0.73 1.25 1.57 -1.56 0.19 116.57 118.25 3kz1 h LYS 918 Ca 0.07 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3kz1 h LYS 918 Cb 0.01 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 3kz1 h LYS 918 CO -0.05 0.77 0.44 -0.92 -0.57 0.00 0.00 179.45 179.13 3kz1 h TYR 919 N 0.74 0.96 -0.03 -1.35 5.03 -1.27 0.19 116.97 121.25 3kz1 h TYR 919 Ca 0.15 -0.00 -0.22 0.00 2.58 0.00 0.00 58.73 61.24 3kz1 h TYR 919 Cb 0.40 -0.32 0.02 0.00 1.55 0.00 0.00 36.73 38.38 3kz1 h TYR 919 CO 0.02 0.64 -0.84 0.28 -1.32 0.00 0.00 178.16 176.95 3kz1 h VAL 920 N 1.00 1.33 -0.78 1.81 2.07 -0.73 -2.15 116.25 118.79 3kz1 h VAL 920 Ca 0.26 -2.13 0.10 0.00 0.82 0.00 0.00 66.70 65.76 3kz1 h VAL 920 Cb -0.04 2.38 -0.08 0.00 -1.52 0.00 0.00 31.29 32.04 3kz1 h VAL 920 CO -0.05 0.65 0.42 0.78 0.02 0.00 0.00 177.57 179.39 3kz1 h ASN 921 N 0.25 0.56 0.00 0.57 2.35 -0.52 -1.60 115.58 117.20 3kz1 h ASN 921 Ca -0.10 0.06 -0.13 0.00 -0.55 0.00 0.00 56.30 55.58 3kz1 h ASN 921 Cb 1.51 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.83 3kz1 h ASN 921 CO 0.17 0.31 -0.41 -0.08 -1.65 0.00 0.00 177.43 175.76 3kz1 h GLU 922 N 0.69 0.51 -0.35 0.81 4.57 -0.54 -1.78 114.58 118.49 3kz1 h GLU 922 Ca 0.39 -0.26 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 3kz1 h GLU 922 Cb 0.42 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 3kz1 h GLU 922 CO -0.28 0.83 0.17 0.00 -1.18 0.00 0.00 179.01 178.55 3kz1 h ALA 923 N 1.14 0.45 -0.37 2.92 0.00 -0.81 -0.12 119.26 122.48 3kz1 h ALA 923 Ca 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3kz1 h ALA 923 Cb 0.90 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3kz1 h ALA 923 CO 0.08 0.02 0.15 0.28 0.00 0.00 0.00 179.25 179.78 3kz1 h VAL 924 N 0.43 1.19 -0.64 0.00 2.07 -1.16 -1.10 116.25 117.05 3kz1 h VAL 924 Ca 0.12 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 3kz1 h VAL 924 Cb 0.12 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 3kz1 h VAL 924 CO -0.01 0.20 0.39 0.50 0.02 0.00 0.00 177.57 178.67 3kz1 h LYS 925 N 0.45 0.86 -0.29 1.57 3.64 -1.09 -0.93 116.57 120.79 3kz1 h LYS 925 Ca 0.12 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 3kz1 h LYS 925 Cb 0.17 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3kz1 h LYS 925 CO -0.01 0.60 0.07 1.96 -2.27 0.00 0.00 179.45 179.81 3kz1 h GLN 926 N 0.87 0.46 -0.49 1.90 4.20 -0.85 -1.43 115.11 119.77 3kz1 h GLN 926 Ca 0.23 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.78 3kz1 h GLN 926 Cb -0.04 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 3kz1 h GLN 926 CO -0.04 0.54 0.10 1.15 -0.67 0.00 0.00 178.83 179.90 3kz1 h THR 927 N 0.31 1.22 -0.08 -0.54 2.02 -0.83 -0.40 112.91 114.60 3kz1 h THR 927 Ca 0.09 -0.80 -0.22 0.00 0.77 0.00 0.00 66.41 66.25 3kz1 h THR 927 Cb 0.28 0.74 0.01 0.00 -1.74 0.00 0.00 68.15 67.44 3kz1 h THR 927 CO 0.00 0.29 -0.83 -0.33 0.37 0.00 0.00 175.52 175.03 3kz1 h GLU 928 N 0.72 0.58 -0.49 6.66 5.08 -1.08 -2.04 114.58 124.00 3kz1 h GLU 928 Ca 0.16 -0.52 -0.05 0.00 -1.00 0.00 0.00 59.36 57.95 3kz1 h GLU 928 Cb 0.30 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3kz1 h GLU 928 CO 0.00 1.14 0.08 -0.91 -1.00 0.00 0.00 179.01 178.33 3kz1 h ASN 929 N 0.37 0.72 0.43 1.42 2.35 -0.83 -0.95 115.58 119.10 3kz1 h ASN 929 Ca -0.06 -0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.48 3kz1 h ASN 929 Cb 1.44 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.61 3kz1 h ASN 929 CO 0.15 0.74 -0.34 -0.09 -1.65 0.00 0.00 177.43 176.24 3kz1 h ARG 930 N 0.74 0.00 0.08 0.81 2.43 -0.79 -2.50 114.38 115.15 3kz1 h ARG 930 Ca 0.16 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 59.07 3kz1 h ARG 930 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3kz1 h ARG 930 CO 0.00 0.34 -1.13 1.25 -1.51 0.00 0.00 179.97 178.92 3kz1 h HIS 931 N 0.00 0.52 -0.29 2.20 2.76 -1.09 -3.13 115.15 116.11 3kz1 h HIS 931 Ca -0.00 -0.34 0.03 0.00 -2.20 0.00 0.00 60.37 57.85 3kz1 h HIS 931 Cb 0.65 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.54 3kz1 h HIS 931 CO 0.00 1.23 0.12 0.00 -1.30 0.00 0.00 177.93 177.98 3kz1 h ARG 932 N 0.12 0.26 -0.28 5.26 2.47 -0.92 -2.75 114.38 118.54 3kz1 h ARG 932 Ca -0.11 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.55 3kz1 h ARG 932 Cb 1.82 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 30.07 3kz1 h ARG 932 CO 0.19 0.17 0.01 -0.07 0.56 0.00 0.00 179.97 180.83 3kz1 h LEU 933 N 0.27 0.38 -0.59 3.04 3.38 -1.50 0.11 115.31 120.39 3kz1 h LEU 933 Ca 0.13 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3kz1 h LEU 933 Cb 0.07 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3kz1 h LEU 933 CO -0.11 0.44 0.08 -0.33 0.09 0.00 0.00 178.44 178.61 3kz1 h GLU 934 N 0.41 0.99 -0.27 1.13 5.08 -1.48 0.90 114.58 121.34 3kz1 h GLU 934 Ca 0.09 -0.28 -0.11 0.00 -1.00 0.00 0.00 59.36 58.07 3kz1 h GLU 934 Cb 0.26 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3kz1 h GLU 934 CO 0.01 0.95 -0.30 0.78 -1.00 0.00 0.00 179.01 179.44 3kz1 h GLY 935 N 0.89 0.60 2.00 -3.84 0.00 -1.03 -1.38 103.07 100.31 3kz1 h GLY 935 Ca 0.18 -0.53 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 3kz1 h GLY 935 CO 0.01 0.48 -0.34 -0.97 0.00 0.00 0.00 176.54 175.73 3kz1 h TYR 936 N 0.48 0.00 -0.30 5.60 0.05 -0.50 -3.21 116.97 119.09 3kz1 h TYR 936 Ca 0.06 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.76 3kz1 h TYR 936 Cb 0.76 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.49 3kz1 h TYR 936 CO 0.03 0.34 -0.13 0.37 -1.05 0.00 0.00 178.16 177.72 3kz1 h GLN 937 N 0.00 0.62 0.00 4.88 5.75 0.30 -0.75 115.11 125.91 3kz1 h GLN 937 Ca -0.00 -0.26 0.00 0.00 -0.15 0.00 0.00 58.65 58.23 3kz1 h GLN 937 Cb 0.97 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.50 3kz1 h GLN 937 CO 0.04 0.84 0.00 0.87 -2.65 0.00 0.00 178.83 177.93 3kz1 h LYS 938 N 0.37 0.00 0.00 1.69 1.57 -1.53 -2.50 116.57 116.18 3kz1 h LYS 938 Ca 0.07 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 3kz1 h LYS 938 Cb 0.65 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 3kz1 h LYS 938 CO 0.04 0.00 -0.78 0.00 -0.57 0.00 0.00 179.45 178.15 3kz1 h ARG 939 N 0.00 0.00 -6.71 3.15 3.08 -1.52 -3.48 114.38 108.90 3kz1 h ARG 939 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 3kz1 h ARG 939 Cb 0.71 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.81 3kz1 h ARG 939 CO 0.00 0.13 0.73 -1.17 -1.07 0.00 0.00 179.97 178.59 3kz1 s LEU 940 N -5.81 4.39 -0.16 3.04 2.96 -0.30 -2.00 118.68 120.80 3kz1 s LEU 940 Ca 0.01 2.57 -0.00 0.00 -0.22 0.00 0.00 54.13 56.49 3kz1 s LEU 940 Cb 0.08 -3.62 0.04 0.00 0.50 0.00 0.00 46.19 43.19 3kz1 s LEU 940 CO 0.76 -0.66 -0.07 -0.62 -1.32 0.00 0.00 176.35 174.45 3kz1 s ASP 941 N 0.45 2.80 -0.15 3.68 2.15 0.14 -4.89 116.67 120.84 3kz1 s ASP 941 Ca 0.60 -0.63 0.15 0.00 0.43 0.00 0.00 52.55 53.09 3kz1 s ASP 941 Cb -0.40 -0.95 0.35 0.00 -0.30 0.00 0.00 42.92 41.61 3kz1 s ASP 941 CO 0.40 -0.16 1.18 0.00 -0.17 0.00 0.00 175.17 176.41 3kz1 n ALA 942 N 4.86 2.93 0.28 3.66 0.00 -1.26 -1.45 120.51 129.52 3kz1 n ALA 942 Ca -0.13 -2.83 0.15 0.00 0.00 0.00 0.00 53.44 50.64 3kz1 n ALA 942 Cb 0.48 -0.40 0.82 0.00 0.00 0.00 0.00 19.45 20.35 3kz1 n ALA 942 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3kz1 h THR 943 N 1.44 0.37 0.00 0.00 1.35 -1.90 -1.17 112.91 113.01 3kz1 h THR 943 Ca -0.02 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 3kz1 h THR 943 Cb 1.09 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 3kz1 h THR 943 CO 0.01 0.07 0.00 0.00 -0.25 0.00 0.00 175.52 175.35 3kz1 h ALA 944 N 1.93 1.00 -0.01 6.62 0.00 -1.86 -2.85 119.26 124.09 3kz1 h ALA 944 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kz1 h ALA 944 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3kz1 h ALA 944 CO 0.01 0.00 -0.21 1.28 0.00 0.00 0.00 179.25 180.33 3kz1 n LEU 945 N -2.66 1.11 0.22 0.00 4.32 -0.44 -3.60 117.00 115.95 3kz1 n LEU 945 Ca 0.01 -0.31 0.15 0.00 -0.02 0.00 0.00 56.01 55.84 3kz1 n LEU 945 Cb 0.27 -0.10 0.50 0.00 -1.62 0.00 0.00 43.42 42.47 3kz1 n LEU 945 CO 0.24 0.20 0.91 -0.33 -1.22 0.00 0.00 177.39 177.19 3kz1 h GLU 946 N 1.42 0.00 0.00 3.23 5.08 -1.60 -3.22 114.58 119.48 3kz1 h GLU 946 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 3kz1 h GLU 946 Cb 0.51 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 3kz1 h GLU 946 CO 0.00 0.00 -0.79 0.00 -1.00 0.00 0.00 179.01 177.22 3kz1 h ARG 947 N 0.00 0.00 0.00 2.33 2.47 -1.77 -3.49 114.38 113.92 3kz1 h ARG 947 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3kz1 h ARG 947 Cb 0.62 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 3kz1 h ARG 947 CO 0.00 0.66 0.00 0.00 0.56 0.00 0.00 179.97 181.19 3kz1 n ALA 948 N -2.29 0.00 0.00 0.04 0.00 -1.22 -4.95 120.51 112.09 3kz1 n ALA 948 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kz1 n ALA 948 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.28 3kz1 n ALA 948 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kz1 n SER 949 N 5.67 0.00 -4.48 0.00 3.41 -1.26 -4.98 113.62 111.98 3kz1 n SER 949 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 3kz1 n SER 949 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 3kz1 n SER 949 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3kz1 s ASN 950 N 0.00 5.07 0.51 4.04 4.22 -1.26 -5.01 114.94 122.51 3kz1 s ASN 950 Ca 0.00 -0.15 0.29 0.00 -2.14 0.00 0.00 52.86 50.86 3kz1 s ASN 950 Cb 0.00 -1.88 1.31 0.00 1.28 0.00 0.00 41.25 41.96 3kz1 s ASN 950 CO 0.00 0.06 1.98 1.55 -2.04 0.00 0.00 177.10 178.65 3kz1 h PRO 951 N 7.54 0.00 0.00 3.55 0.13 -1.94 -1.87 132.00 139.41 3kz1 h PRO 951 Ca -0.36 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3kz1 h PRO 951 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 3kz1 h PRO 951 CO 0.62 0.12 -0.02 1.37 -0.23 0.00 0.00 178.00 179.85 3kz1 h LEU 952 N 0.00 0.00 0.00 1.56 8.10 -1.93 -3.12 115.31 119.92 3kz1 h LEU 952 Ca -0.00 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.92 3kz1 h LEU 952 Cb 0.51 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.71 3kz1 h LEU 952 CO 0.02 0.02 -1.66 0.00 -4.11 0.00 0.00 178.44 172.70 3kz1 n ALA 953 N -2.12 2.25 0.20 0.17 0.00 -0.73 -4.60 120.51 115.68 3kz1 n ALA 953 Ca -0.01 -0.46 0.06 0.00 0.00 0.00 0.00 53.44 53.03 3kz1 n ALA 953 Cb 0.19 -0.31 0.43 0.00 0.00 0.00 0.00 19.45 19.75 3kz1 n ALA 953 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kz1 h ALA 954 N 1.01 1.19 0.00 0.00 0.00 -1.41 -2.94 119.26 117.10 3kz1 h ALA 954 Ca -0.10 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3kz1 h ALA 954 Cb 0.94 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3kz1 h ALA 954 CO 0.01 0.40 0.00 -0.85 0.00 0.00 0.00 179.25 178.81 3kz1 n GLU 955 N -3.75 0.38 -0.62 0.00 0.28 -1.24 -2.73 120.64 112.95 3kz1 n GLU 955 Ca -0.01 0.06 0.04 0.00 -0.16 0.00 0.00 57.16 57.09 3kz1 n GLU 955 Cb 0.41 -1.50 0.26 0.00 1.43 0.00 0.00 31.44 32.04 3kz1 n GLU 955 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3kz1 n PHE 956 N -1.25 1.22 0.20 -1.84 3.72 -1.11 -4.64 117.46 113.76 3kz1 n PHE 956 Ca 0.12 -1.08 0.18 0.00 -0.05 0.00 0.00 57.45 56.62 3kz1 n PHE 956 Cb 0.17 -0.41 0.81 0.00 -0.94 0.00 0.00 39.48 39.10 3kz1 n PHE 956 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 3kz1 h LYS 957 N 1.78 0.00 -2.22 -1.08 2.10 -1.70 -3.16 116.57 112.30 3kz1 h LYS 957 Ca 0.09 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 58.16 3kz1 h LYS 957 Cb 1.64 0.00 -0.39 0.00 -0.90 0.00 0.00 32.23 32.58 3kz1 h LYS 957 CO 0.34 0.00 -0.98 -1.13 -2.00 0.00 0.00 179.45 175.68 3kz1 n SER 958 N -3.52 0.46 0.40 7.07 3.41 -1.26 -4.86 113.62 115.32 3kz1 n SER 958 Ca 0.03 -2.68 -0.18 0.00 -0.26 0.00 0.00 58.87 55.78 3kz1 n SER 958 Cb 0.44 -0.62 -0.09 0.00 -0.26 0.00 0.00 64.21 63.69 3kz1 n SER 958 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3kz1 h LEU 959 N 4.68 -0.84 -2.42 1.04 6.46 -1.91 -3.49 115.31 118.83 3kz1 h LEU 959 Ca 0.16 0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.93 3kz1 h LEU 959 Cb 0.86 0.22 -0.07 0.00 -0.73 0.00 0.00 40.66 40.94 3kz1 h LEU 959 CO 0.48 -0.55 -1.08 -0.67 -0.62 0.00 0.00 178.44 176.00 3kz1 n ASP 960 N -5.49 -3.74 0.13 1.25 2.03 -1.26 -4.90 116.55 104.57 3kz1 n ASP 960 Ca -0.14 1.20 0.13 0.00 0.52 0.00 0.00 54.79 56.50 3kz1 n ASP 960 Cb 0.41 -4.09 0.40 0.00 -0.72 0.00 0.00 41.12 37.13 3kz1 n ASP 960 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3kz1 h LEU 961 N 4.18 0.00 -2.01 -2.67 3.38 -1.95 -3.23 115.31 113.01 3kz1 h LEU 961 Ca -0.31 0.00 0.16 0.00 0.09 0.00 0.00 57.88 57.83 3kz1 h LEU 961 Cb 0.77 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 3kz1 h LEU 961 CO 0.02 0.00 0.43 0.74 0.09 0.00 0.00 178.44 179.72 3kz1 h THR 962 N 0.00 0.63 -0.28 0.22 2.02 -1.90 -2.35 112.91 111.25 3kz1 h THR 962 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3kz1 h THR 962 Cb 0.70 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 3kz1 h THR 962 CO 0.00 0.00 0.00 0.35 0.37 0.00 0.00 175.52 176.24 3kz1 n THR 963 N -4.23 0.56 -4.30 3.16 -2.24 -1.22 -4.86 114.28 101.15 3kz1 n THR 963 Ca 0.11 -0.43 -0.16 0.00 -2.27 0.00 0.00 64.05 61.30 3kz1 n THR 963 Cb 0.66 0.05 -0.10 0.00 -2.10 0.00 0.00 70.33 68.84 3kz1 n THR 963 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3kz1 s ARG 964 N -1.63 1.31 -0.11 -0.78 3.00 -0.89 -5.13 118.95 114.73 3kz1 s ARG 964 Ca 0.20 -1.68 -0.04 0.00 0.00 0.00 0.00 55.73 54.21 3kz1 s ARG 964 Cb 0.12 -0.32 -0.04 0.00 0.00 0.00 0.00 34.95 34.71 3kz1 s ARG 964 CO 0.12 -0.22 0.04 0.15 0.00 0.00 0.00 175.30 175.39 3kz1 s LYS 965 N -3.97 3.27 -0.04 3.54 1.02 -1.26 -5.00 119.74 117.29 3kz1 s LYS 965 Ca 0.32 -0.35 -0.22 0.00 0.02 0.00 0.00 55.97 55.75 3kz1 s LYS 965 Cb 0.07 -2.94 -0.04 0.00 -0.52 0.00 0.00 37.83 34.39 3kz1 s LYS 965 CO 0.10 0.63 0.63 1.41 -0.92 0.00 0.00 175.35 177.20 3kz1 s MET 966 N -0.65 4.38 -0.21 1.68 -2.45 -1.26 -1.96 119.30 118.82 3kz1 s MET 966 Ca 0.11 0.77 -0.17 0.00 -1.25 0.00 0.00 55.69 55.15 3kz1 s MET 966 Cb -0.12 -3.40 -0.13 0.00 1.25 0.00 0.00 34.83 32.43 3kz1 s MET 966 CO 0.02 0.21 -0.06 -0.89 1.05 0.00 0.00 175.02 175.35 3kz1 n ILE 967 N 3.31 1.51 -3.91 10.11 5.41 0.08 -4.98 119.36 130.89 3kz1 n ILE 967 Ca -0.04 -0.06 -0.09 0.00 1.00 0.00 0.00 62.75 63.56 3kz1 n ILE 967 Cb 0.51 -2.09 -0.08 0.00 -0.71 0.00 0.00 39.64 37.27 3kz1 n ILE 967 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 3kz1 s HIS 968 N -2.43 0.26 0.12 1.39 5.04 -1.20 -5.01 115.29 113.45 3kz1 s HIS 968 Ca -0.29 -0.70 -0.12 0.00 -1.54 0.00 0.00 55.06 52.42 3kz1 s HIS 968 Cb 0.07 -0.12 0.01 0.00 0.04 0.00 0.00 32.58 32.58 3kz1 s HIS 968 CO 0.48 -0.54 0.29 -1.83 -2.34 0.00 0.00 174.74 170.80 3kz1 s GLU 969 N -3.89 1.00 0.00 2.88 -1.05 -1.26 -0.45 118.70 115.92 3kz1 s GLU 969 Ca 0.07 -0.91 0.00 0.00 -0.15 0.00 0.00 54.97 53.99 3kz1 s GLU 969 Cb 0.05 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 34.14 3kz1 s GLU 969 CO -0.09 -0.36 0.00 0.41 0.95 0.00 0.00 175.26 176.17 3kz1 n GLY 970 N -0.15 2.86 3.74 -3.83 0.00 -0.97 -5.01 105.19 101.83 3kz1 n GLY 970 Ca -0.14 -0.91 -0.40 0.00 0.00 0.00 0.00 46.02 44.58 3kz1 n GLY 970 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kz1 s PRO 971 N -2.00 4.43 0.06 1.61 0.05 -1.26 -1.38 135.00 136.51 3kz1 s PRO 971 Ca 0.00 0.92 0.05 0.00 0.05 0.00 0.00 61.00 62.01 3kz1 s PRO 971 Cb 0.00 -3.40 -0.03 0.00 0.05 0.00 0.00 34.50 31.13 3kz1 s PRO 971 CO 0.00 0.20 -0.13 -0.51 0.05 0.00 0.00 177.00 176.60 3kz1 s LEU 972 N 0.32 2.23 -0.09 -3.56 1.02 0.73 -4.70 118.68 114.62 3kz1 s LEU 972 Ca 0.37 -0.54 -0.13 0.00 0.02 0.00 0.00 54.13 53.84 3kz1 s LEU 972 Cb -0.19 -0.51 -0.05 0.00 0.02 0.00 0.00 46.19 45.47 3kz1 s LEU 972 CO 0.20 -0.05 0.31 -0.89 0.02 0.00 0.00 176.35 175.94 3kz1 s THR 973 N -1.11 5.24 -0.34 5.49 2.01 -0.65 -0.19 115.64 126.09 3kz1 s THR 973 Ca -0.01 0.60 -0.08 0.00 0.31 0.00 0.00 61.69 62.51 3kz1 s THR 973 Cb -0.09 -3.62 0.03 0.00 0.01 0.00 0.00 72.50 68.82 3kz1 s THR 973 CO 0.02 0.50 0.14 0.86 -0.69 0.00 0.00 174.62 175.44 3kz1 s TRP 974 N -0.36 3.23 -1.46 4.92 -0.00 0.50 0.48 118.94 126.25 3kz1 s TRP 974 Ca 0.19 -1.16 -0.12 0.00 -0.00 0.00 0.00 56.10 55.01 3kz1 s TRP 974 Cb -0.14 -2.33 0.03 0.00 -0.00 0.00 0.00 33.47 31.03 3kz1 s TRP 974 CO 0.08 -0.67 2.32 -2.13 -0.00 0.00 0.00 176.95 176.55 3kz1 n ARG 975 N 4.89 3.16 -0.26 5.86 3.00 -0.23 -1.59 116.66 131.49 3kz1 n ARG 975 Ca -0.13 -2.67 -0.06 0.00 -0.00 0.00 0.00 57.85 54.99 3kz1 n ARG 975 Cb 0.46 -3.14 0.05 0.00 0.00 0.00 0.00 32.46 29.83 3kz1 n ARG 975 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 3kz1 h ILE 976 N 3.74 1.25 -1.96 5.15 2.10 -1.78 -3.40 117.51 122.60 3kz1 h ILE 976 Ca 0.61 -0.75 0.00 0.00 1.08 0.00 0.00 64.86 65.80 3kz1 h ILE 976 Cb 0.56 0.39 0.00 0.00 -1.09 0.00 0.00 36.82 36.68 3kz1 h ILE 976 CO 1.83 0.30 0.00 -1.54 -1.08 0.00 0.00 178.15 177.66 3kz1 n SER 977 N -4.37 0.20 -4.74 2.19 3.41 -1.06 -5.00 113.62 104.24 3kz1 n SER 977 Ca 0.06 -0.76 -0.41 0.00 -0.26 0.00 0.00 58.87 57.49 3kz1 n SER 977 Cb 0.16 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 3kz1 n SER 977 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3kz1 s LYS 978 N -1.29 4.34 0.00 4.33 1.02 -1.26 -3.60 119.74 123.27 3kz1 s LYS 978 Ca 0.00 2.15 0.00 0.00 0.02 0.00 0.00 55.97 58.14 3kz1 s LYS 978 Cb 0.00 -3.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.15 3kz1 s LYS 978 CO 0.00 -0.32 0.00 -0.25 -0.92 0.00 0.00 175.35 173.86 3kz1 n ASP 979 N 2.50 -4.21 -4.02 2.83 8.00 -1.26 -4.91 116.55 115.48 3kz1 n ASP 979 Ca 0.06 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.32 3kz1 n ASP 979 Cb 0.42 -2.72 -0.17 0.00 -0.02 0.00 0.00 41.12 38.63 3kz1 n ASP 979 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3kz1 s LYS 980 N -1.47 1.68 0.24 -1.24 2.47 -1.24 -5.15 119.74 115.04 3kz1 s LYS 980 Ca 0.00 -0.41 0.02 0.00 -1.56 0.00 0.00 55.97 54.02 3kz1 s LYS 980 Cb 0.00 -1.39 -0.05 0.00 -1.46 0.00 0.00 37.83 34.93 3kz1 s LYS 980 CO 0.00 0.03 0.06 0.95 0.16 0.00 0.00 175.35 176.55 3kz1 s THR 981 N 0.65 0.67 -0.09 3.43 -4.23 -1.26 -2.56 115.64 112.26 3kz1 s THR 981 Ca -0.14 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.27 3kz1 s THR 981 Cb -0.16 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.21 3kz1 s THR 981 CO 0.04 -0.15 0.28 -0.22 -0.54 0.00 0.00 174.62 174.03 3kz1 s LEU 982 N -3.29 0.96 -0.20 4.79 2.96 -0.62 -4.94 118.68 118.34 3kz1 s LEU 982 Ca 0.34 0.48 -0.17 0.00 -0.22 0.00 0.00 54.13 54.55 3kz1 s LEU 982 Cb 0.07 0.97 -0.03 0.00 0.50 0.00 0.00 46.19 47.70 3kz1 s LEU 982 CO 0.11 -0.14 0.48 -1.81 -1.32 0.00 0.00 176.35 173.66 3kz1 s ASP 983 N -0.07 6.52 0.05 3.68 1.11 -1.26 -0.37 116.67 126.33 3kz1 s ASP 983 Ca -0.02 0.62 0.07 0.00 0.18 0.00 0.00 52.55 53.40 3kz1 s ASP 983 Cb -0.03 -2.27 -0.03 0.00 1.07 0.00 0.00 42.92 41.67 3kz1 s ASP 983 CO 0.01 -0.14 -0.20 -0.76 1.18 0.00 0.00 175.17 175.26 3kz1 s LEU 984 N 1.51 2.18 -0.41 1.23 1.43 0.73 -4.63 118.68 120.73 3kz1 s LEU 984 Ca 0.22 -0.53 -0.14 0.00 -1.03 0.00 0.00 54.13 52.65 3kz1 s LEU 984 Cb -0.15 -0.91 0.03 0.00 0.03 0.00 0.00 46.19 45.19 3kz1 s LEU 984 CO 0.09 0.13 0.28 -2.28 0.23 0.00 0.00 176.35 174.80 3kz1 s HIS 985 N -0.85 3.24 -0.19 0.29 5.65 -0.40 -0.20 115.29 122.84 3kz1 s HIS 985 Ca 0.06 -0.75 -0.07 0.00 0.25 0.00 0.00 55.06 54.55 3kz1 s HIS 985 Cb -0.09 -2.61 -0.04 0.00 -1.18 0.00 0.00 32.58 28.67 3kz1 s HIS 985 CO 0.02 -0.63 0.06 0.54 -0.65 0.00 0.00 174.74 174.08 3kz1 s VAL 986 N 1.63 4.70 -0.22 0.89 0.11 -0.48 -1.65 120.40 125.39 3kz1 s VAL 986 Ca 0.04 -0.06 -0.12 0.00 -2.93 0.00 0.00 61.98 58.91 3kz1 s VAL 986 Cb -0.20 -3.12 -0.05 0.00 -1.53 0.00 0.00 36.38 31.48 3kz1 s VAL 986 CO 0.09 0.45 0.21 -0.76 -3.33 0.00 0.00 175.10 171.76 3kz1 s LEU 987 N 0.45 4.14 -0.19 2.54 1.43 -0.57 -2.30 118.68 124.19 3kz1 s LEU 987 Ca 0.03 0.23 -0.20 0.00 -1.03 0.00 0.00 54.13 53.15 3kz1 s LEU 987 Cb -0.13 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.86 3kz1 s LEU 987 CO 0.01 0.05 0.60 -0.22 0.23 0.00 0.00 176.35 177.01 3kz1 s LEU 988 N 1.02 4.16 0.00 1.79 0.20 0.40 -1.74 118.68 124.50 3kz1 s LEU 988 Ca 0.10 0.81 0.03 0.00 0.69 0.00 0.00 54.13 55.77 3kz1 s LEU 988 Cb -0.13 -2.85 0.03 0.00 -0.43 0.00 0.00 46.19 42.81 3kz1 s LEU 988 CO 0.05 -0.23 0.29 0.18 -0.29 0.00 0.00 176.35 176.34 3kz1 n LEU 989 N 4.87 0.00 -0.28 -0.68 4.77 0.56 -0.74 117.00 125.50 3kz1 n LEU 989 Ca -0.02 -2.92 0.01 0.00 -0.03 0.00 0.00 56.01 53.05 3kz1 n LEU 989 Cb 0.50 0.07 0.14 0.00 -2.33 0.00 0.00 43.42 41.80 3kz1 n LEU 989 CO 0.44 -0.54 1.15 -0.33 -1.33 0.00 0.00 177.39 176.77 3kz1 h GLU 990 N 0.00 0.80 0.00 3.23 5.08 -1.77 -3.34 114.58 118.58 3kz1 h GLU 990 Ca -0.37 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 3kz1 h GLU 990 Cb 1.26 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3kz1 h GLU 990 CO 0.58 0.53 -0.29 -0.40 -1.00 0.00 0.00 179.01 178.44 3kz1 n ASP 991 N -4.71 1.43 -4.20 1.42 5.75 -1.26 -4.74 116.55 110.24 3kz1 n ASP 991 Ca 0.12 -0.29 -0.15 0.00 -0.01 0.00 0.00 54.79 54.45 3kz1 n ASP 991 Cb 0.22 0.87 -0.11 0.00 -1.03 0.00 0.00 41.12 41.07 3kz1 n ASP 991 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3kz1 s LEU 992 N -2.03 2.41 -0.17 -2.12 1.43 -1.26 -1.19 118.68 115.75 3kz1 s LEU 992 Ca 0.00 -0.82 0.01 0.00 -1.03 0.00 0.00 54.13 52.29 3kz1 s LEU 992 Cb 0.00 -0.38 0.01 0.00 0.03 0.00 0.00 46.19 45.86 3kz1 s LEU 992 CO 0.00 -0.23 -0.19 -0.22 0.23 0.00 0.00 176.35 175.94 3kz1 s LEU 993 N -2.48 2.22 -0.17 1.79 2.96 0.12 -0.32 118.68 122.80 3kz1 s LEU 993 Ca 0.07 -0.61 0.01 0.00 -0.22 0.00 0.00 54.13 53.38 3kz1 s LEU 993 Cb -0.03 -1.50 0.01 0.00 0.50 0.00 0.00 46.19 45.17 3kz1 s LEU 993 CO 0.01 0.02 -0.18 0.54 -1.32 0.00 0.00 176.35 175.42 3kz1 s VAL 994 N 1.18 2.36 -0.40 1.68 0.11 -0.71 -1.16 120.40 123.45 3kz1 s VAL 994 Ca 0.02 -0.86 -0.17 0.00 -2.93 0.00 0.00 61.98 58.04 3kz1 s VAL 994 Cb -0.14 -1.99 0.01 0.00 -1.53 0.00 0.00 36.38 32.74 3kz1 s VAL 994 CO -0.09 0.52 0.44 -0.76 -3.33 0.00 0.00 175.10 171.88 3kz1 s LEU 995 N 1.04 4.72 0.03 2.54 1.43 0.93 -1.51 118.68 127.86 3kz1 s LEU 995 Ca -0.01 -0.52 0.03 0.00 -1.03 0.00 0.00 54.13 52.59 3kz1 s LEU 995 Cb -0.14 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 3kz1 s LEU 995 CO -0.05 -0.53 0.01 -0.76 0.23 0.00 0.00 176.35 175.24 3kz1 s LEU 996 N 2.16 3.52 -0.12 1.79 1.43 -0.66 -4.79 118.68 122.01 3kz1 s LEU 996 Ca 0.13 -0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.16 3kz1 s LEU 996 Cb -0.17 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 43.93 3kz1 s LEU 996 CO 0.13 0.24 -0.09 -1.58 0.23 0.00 0.00 176.35 175.29 3kz1 s GLN 997 N -1.83 3.32 -0.01 1.70 0.74 -0.98 -1.27 119.66 121.32 3kz1 s GLN 997 Ca 0.22 -0.60 -0.25 0.00 0.05 0.00 0.00 55.36 54.77 3kz1 s GLN 997 Cb -0.12 -2.71 -0.04 0.00 1.10 0.00 0.00 33.01 31.25 3kz1 s GLN 997 CO 0.13 0.33 0.78 0.15 -0.55 0.00 0.00 175.29 176.13 3kz1 s LYS 998 N 0.08 4.48 0.00 1.67 1.02 -1.26 -0.24 119.74 125.50 3kz1 s LYS 998 Ca -0.03 1.06 0.00 0.00 0.02 0.00 0.00 55.97 57.01 3kz1 s LYS 998 Cb -0.14 -3.42 0.00 0.00 -0.52 0.00 0.00 37.83 33.75 3kz1 s LYS 998 CO 0.04 0.12 0.00 0.94 -0.92 0.00 0.00 175.35 175.53 3kz1 n GLN 999 N 3.45 0.00 0.00 1.68 0.00 -1.06 -4.99 117.38 116.46 3kz1 n GLN 999 Ca -0.00 0.10 0.00 0.00 -0.00 0.00 0.00 57.00 57.09 3kz1 n GLN 999 Cb 0.51 -0.54 0.00 0.00 0.00 0.00 0.00 30.24 30.21 3kz1 n GLN 999 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3kz1 n ASP 1000N -2.24 0.00 -1.93 1.69 10.43 -1.26 -4.88 116.55 118.36 3kz1 n ASP 1000Ca 0.00 0.00 -0.23 0.00 2.57 0.00 0.00 54.79 57.13 3kz1 n ASP 1000Cb 0.00 0.00 0.09 0.00 1.84 0.00 0.00 41.12 43.05 3kz1 n ASP 1000CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 3kz1 n GLU 1001N -0.43 2.84 -4.19 -1.24 4.07 -1.26 -5.01 120.64 115.42 3kz1 n GLU 1001Ca 0.00 -3.61 -0.19 0.00 -0.06 0.00 0.00 57.16 53.31 3kz1 n GLU 1001Cb 0.00 -2.17 -0.12 0.00 -0.06 0.00 0.00 31.44 29.09 3kz1 n GLU 1001CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 3kz1 s LYS 1002N -3.58 0.87 -0.17 5.31 1.02 -1.26 -4.84 119.74 117.10 3kz1 s LYS 1002Ca 0.54 -1.02 -0.00 0.00 0.02 0.00 0.00 55.97 55.51 3kz1 s LYS 1002Cb 0.44 -0.87 -0.00 0.00 -0.52 0.00 0.00 37.83 36.89 3kz1 s LYS 1002CO 0.02 0.19 -0.14 -0.51 -0.92 0.00 0.00 175.35 173.98 3kz1 s LEU 1003N -1.89 2.51 -0.18 3.17 1.43 -0.85 -2.57 118.68 120.30 3kz1 s LEU 1003Ca 0.01 -0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 52.60 3kz1 s LEU 1003Cb -0.09 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 3kz1 s LEU 1003CO 0.02 0.06 -0.05 -0.76 0.23 0.00 0.00 176.35 175.86 3kz1 s LEU 1004N 0.96 3.01 -0.22 1.79 1.43 0.67 0.24 118.68 126.55 3kz1 s LEU 1004Ca -0.02 -0.28 -0.20 0.00 -1.03 0.00 0.00 54.13 52.59 3kz1 s LEU 1004Cb -0.15 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 3kz1 s LEU 1004CO -0.02 0.08 0.62 -0.76 0.23 0.00 0.00 176.35 176.50 3kz1 s LEU 1005N 0.90 4.12 -0.01 1.79 1.43 -0.53 -2.32 118.68 124.05 3kz1 s LEU 1005Ca -0.01 0.78 -0.08 0.00 -1.03 0.00 0.00 54.13 53.79 3kz1 s LEU 1005Cb -0.15 -2.86 0.01 0.00 0.03 0.00 0.00 46.19 43.22 3kz1 s LEU 1005CO 0.01 -0.30 0.15 -0.75 0.23 0.00 0.00 176.35 175.70 3kz1 s LYS 1006N 2.07 0.45 -0.06 1.70 2.20 -1.26 -4.27 119.74 120.57 3kz1 s LYS 1006Ca 0.27 -0.27 -0.12 0.00 -0.36 0.00 0.00 55.97 55.49 3kz1 s LYS 1006Cb -0.16 0.19 -0.05 0.00 -1.51 0.00 0.00 37.83 36.30 3kz1 s LYS 1006CO 0.10 -0.10 0.30 0.00 -0.36 0.00 0.00 175.35 175.28 3kz1 s HIS 1008N -0.84 2.55 0.00 0.00 0.09 -1.06 -4.89 115.29 111.14 3kz1 s HIS 1008Ca 0.20 -0.27 0.00 0.00 -0.00 0.00 0.00 55.06 54.99 3kz1 s HIS 1008Cb -0.15 -1.53 0.00 0.00 -0.00 0.00 0.00 32.58 30.90 3kz1 s HIS 1008CO 0.09 0.15 0.00 -1.13 -0.00 0.00 0.00 174.74 173.85 3kz1 n SER 1009N 2.07 0.00 0.00 1.40 3.41 -1.26 0.15 113.62 119.38 3kz1 n SER 1009Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 3kz1 n SER 1009Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3kz1 n SER 1009CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kz1 n LYS 1010N -0.04 0.00 -4.24 4.33 5.02 -1.26 -4.21 118.16 117.76 3kz1 n LYS 1010Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 3kz1 n LYS 1010Cb 0.00 -0.02 -0.09 0.00 -0.02 0.00 0.00 35.03 34.90 3kz1 n LYS 1010CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3kz1 s THR 1021N 0.00 4.58 0.01 -0.18 -4.23 -1.26 -4.49 115.64 110.07 3kz1 s THR 1021Ca 0.00 -0.14 -0.19 0.00 -1.18 0.00 0.00 61.69 60.18 3kz1 s THR 1021Cb 0.00 -2.96 -0.06 0.00 1.34 0.00 0.00 72.50 70.82 3kz1 s THR 1021CO 0.00 0.59 0.56 -0.36 -0.54 0.00 0.00 174.62 174.86 3kz1 s PHE 1022N -0.72 3.72 0.22 3.99 0.40 0.39 -4.90 117.98 121.07 3kz1 s PHE 1022Ca 0.12 1.18 -0.30 0.00 -0.60 0.00 0.00 56.93 57.33 3kz1 s PHE 1022Cb -0.12 -2.53 -0.09 0.00 0.51 0.00 0.00 43.02 40.80 3kz1 s PHE 1022CO 0.02 0.45 1.20 0.45 0.70 0.00 0.00 175.22 178.05 3kz1 s SER 1023N -0.53 7.07 0.44 1.36 0.15 -1.26 -2.56 113.70 118.36 3kz1 s SER 1023Ca 0.29 2.30 0.24 0.00 0.70 0.00 0.00 55.95 59.49 3kz1 s SER 1023Cb -0.18 -2.61 0.62 0.00 -1.71 0.00 0.00 66.02 62.13 3kz1 s SER 1023CO 0.17 -0.36 1.70 1.55 1.20 0.00 0.00 173.24 177.50 3kz1 h PRO 1024N 4.81 0.00 -6.19 5.44 0.13 -1.88 -3.45 132.00 130.86 3kz1 h PRO 1024Ca -0.45 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.99 3kz1 h PRO 1024Cb 1.21 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.11 3kz1 h PRO 1024CO 0.73 0.13 -0.76 0.08 -0.23 0.00 0.00 178.00 177.95 3kz1 s VAL 1025N -3.34 3.13 -0.04 1.56 1.01 -1.26 -0.05 120.40 121.40 3kz1 s VAL 1025Ca 0.04 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.35 3kz1 s VAL 1025Cb 0.07 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 34.23 3kz1 s VAL 1025CO 0.65 0.58 -0.07 -0.76 0.00 0.00 0.00 175.10 175.51 3kz1 s LEU 1026N -0.61 1.49 0.09 3.92 1.43 -0.31 -4.86 118.68 119.83 3kz1 s LEU 1026Ca 0.09 -0.17 -0.30 0.00 -1.03 0.00 0.00 54.13 52.72 3kz1 s LEU 1026Cb -0.11 -0.53 -0.05 0.00 0.03 0.00 0.00 46.19 45.53 3kz1 s LEU 1026CO 0.01 -0.01 1.01 -0.54 0.23 0.00 0.00 176.35 177.05 3kz1 s LYS 1027N 0.71 4.62 0.51 1.70 1.02 -1.26 -0.70 119.74 126.33 3kz1 s LYS 1027Ca -0.11 1.51 0.30 0.00 0.02 0.00 0.00 55.97 57.69 3kz1 s LYS 1027Cb -0.13 -3.38 1.19 0.00 -0.52 0.00 0.00 37.83 34.99 3kz1 s LYS 1027CO 0.01 0.08 1.93 -0.07 -0.92 0.00 0.00 175.35 176.37 3kz1 h LEU 1028N 5.95 0.00 -0.06 3.17 3.38 -1.49 -2.02 115.31 124.24 3kz1 h LEU 1028Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3kz1 h LEU 1028Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3kz1 h LEU 1028CO 0.74 0.09 0.00 -0.46 0.09 0.00 0.00 178.44 178.90 3kz1 n ASN 1029N -3.23 0.09 -2.69 -0.43 6.94 -1.26 -3.71 115.26 110.98 3kz1 n ASN 1029Ca 0.00 -1.40 -0.08 0.00 -0.02 0.00 0.00 54.58 53.08 3kz1 n ASN 1029Cb 0.35 -0.01 0.03 0.00 -2.36 0.00 0.00 39.78 37.80 3kz1 n ASN 1029CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kz1 n ALA 1030N -0.74 3.30 -2.65 -2.53 0.00 -0.76 -5.07 120.51 112.06 3kz1 n ALA 1030Ca 0.15 -3.09 -0.09 0.00 0.00 0.00 0.00 53.44 50.40 3kz1 n ALA 1030Cb 0.08 -0.90 -0.09 0.00 0.00 0.00 0.00 19.45 18.54 3kz1 n ALA 1030CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3kz1 s VAL 1031N -3.41 0.14 -0.12 0.00 -7.23 -1.24 -0.83 120.40 107.70 3kz1 s VAL 1031Ca 0.28 -1.16 0.02 0.00 -1.81 0.00 0.00 61.98 59.31 3kz1 s VAL 1031Cb 0.42 -1.00 -0.01 0.00 0.56 0.00 0.00 36.38 36.36 3kz1 s VAL 1031CO 0.01 -0.64 -0.18 -0.76 -0.31 0.00 0.00 175.10 173.22 3kz1 s LEU 1032N -2.28 2.40 -0.32 1.32 1.43 -0.12 -4.94 118.68 116.17 3kz1 s LEU 1032Ca -0.03 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 52.49 3kz1 s LEU 1032Cb 0.00 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 3kz1 s LEU 1032CO -0.06 0.14 0.22 -0.63 0.23 0.00 0.00 176.35 176.26 3kz1 s ILE 1033N 0.46 5.26 0.03 -0.59 -1.09 -1.26 -1.78 121.20 122.23 3kz1 s ILE 1033Ca -0.13 -0.12 0.00 0.00 -2.23 0.00 0.00 60.65 58.17 3kz1 s ILE 1033Cb -0.17 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.04 3kz1 s ILE 1033CO 0.05 0.06 -0.04 -0.60 -1.23 0.00 0.00 174.94 173.19 3kz1 s ARG 1034N 1.73 0.43 -0.02 2.79 6.06 -0.24 -5.01 118.95 124.69 3kz1 s ARG 1034Ca 0.06 -0.80 -0.00 0.00 -2.50 0.00 0.00 55.73 52.48 3kz1 s ARG 1034Cb -0.17 0.08 -0.04 0.00 0.06 0.00 0.00 34.95 34.88 3kz1 s ARG 1034CO 0.10 -0.05 0.06 -1.54 -2.50 0.00 0.00 175.30 171.37 3kz1 s SER 1035N -1.89 5.55 -0.20 -2.12 1.04 -1.26 0.22 113.70 115.04 3kz1 s SER 1035Ca -0.09 0.13 -0.29 0.00 0.48 0.00 0.00 55.95 56.18 3kz1 s SER 1035Cb -0.05 -1.58 -0.02 0.00 0.10 0.00 0.00 66.02 64.48 3kz1 s SER 1035CO -0.03 0.29 1.39 -0.69 0.98 0.00 0.00 173.24 175.18 3kz1 s VAL 1036N -1.14 4.04 0.05 5.02 1.01 -1.14 -4.82 120.40 123.42 3kz1 s VAL 1036Ca 0.21 1.22 0.31 0.00 0.00 0.00 0.00 61.98 63.71 3kz1 s VAL 1036Cb -0.12 -3.91 0.36 0.00 0.00 0.00 0.00 36.38 32.71 3kz1 s VAL 1036CO 0.12 -0.25 1.92 0.00 0.00 0.00 0.00 175.10 176.89 3kz1 h ALA 1037N 9.16 1.00 -0.02 5.51 0.00 -1.97 -3.18 119.26 129.76 3kz1 h ALA 1037Ca -0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3kz1 h ALA 1037Cb 1.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3kz1 h ALA 1037CO 0.99 0.05 -0.35 0.25 0.00 0.00 0.00 179.25 180.19 3kz1 n THR 1038N -3.14 0.00 -3.55 0.00 -2.24 -1.26 -4.75 114.28 99.34 3kz1 n THR 1038Ca 0.01 -0.32 -0.25 0.00 -2.27 0.00 0.00 64.05 61.21 3kz1 n THR 1038Cb 0.35 1.30 -0.15 0.00 -2.10 0.00 0.00 70.33 69.72 3kz1 n THR 1038CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kz1 s ASP 1039N -2.25 2.59 0.00 3.42 -1.08 -1.20 -5.02 116.67 113.13 3kz1 s ASP 1039Ca 0.19 -0.81 0.00 0.00 -0.52 0.00 0.00 52.55 51.41 3kz1 s ASP 1039Cb 0.17 -0.15 0.00 0.00 -1.46 0.00 0.00 42.92 41.49 3kz1 s ASP 1039CO 0.48 -0.38 0.51 0.29 0.52 0.00 0.00 175.17 176.59 3kz1 n LYS 1040N 5.28 0.87 0.00 4.34 5.02 -1.26 -2.21 118.16 130.19 3kz1 n LYS 1040Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 3kz1 n LYS 1040Cb 0.46 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 3kz1 n LYS 1040CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kz1 n ARG 1041N -0.03 2.91 -4.23 1.97 1.74 -1.26 -4.41 116.66 113.35 3kz1 n ARG 1041Ca 0.00 -0.15 -0.29 0.00 -0.77 0.00 0.00 57.85 56.64 3kz1 n ARG 1041Cb 0.18 -0.57 -0.10 0.00 -1.02 0.00 0.00 32.46 30.95 3kz1 n ARG 1041CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kz1 s ALA 1042N -0.46 2.96 0.05 7.54 0.00 -0.94 0.59 121.76 131.50 3kz1 s ALA 1042Ca 0.00 -1.28 -0.03 0.00 0.00 0.00 0.00 51.96 50.65 3kz1 s ALA 1042Cb 0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 3kz1 s ALA 1042CO 0.00 0.62 0.02 -0.59 0.00 0.00 0.00 175.76 175.80 3kz1 s PHE 1043N -1.29 0.41 -0.15 0.00 -0.12 -0.49 -2.86 117.98 113.48 3kz1 s PHE 1043Ca 0.22 -0.90 -0.08 0.00 -0.05 0.00 0.00 56.93 56.12 3kz1 s PHE 1043Cb -0.11 -0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 41.94 3kz1 s PHE 1043CO 0.14 -0.39 0.12 -0.06 -0.05 0.00 0.00 175.22 174.98 3kz1 s PHE 1044N -3.63 3.48 -0.32 3.49 0.08 0.59 -1.84 117.98 119.83 3kz1 s PHE 1044Ca 0.04 0.41 0.03 0.00 0.12 0.00 0.00 56.93 57.53 3kz1 s PHE 1044Cb 0.05 -2.02 0.09 0.00 -0.57 0.00 0.00 43.02 40.57 3kz1 s PHE 1044CO -0.09 0.52 0.02 0.42 -0.10 0.00 0.00 175.22 175.99 3kz1 s ILE 1045N -0.41 2.32 -0.33 0.64 1.01 -0.09 -1.08 121.20 123.26 3kz1 s ILE 1045Ca 0.11 -2.14 -0.21 0.00 0.00 0.00 0.00 60.65 58.41 3kz1 s ILE 1045Cb -0.12 -2.62 -0.00 0.00 0.01 0.00 0.00 42.46 39.74 3kz1 s ILE 1045CO 0.01 -0.46 0.68 -0.63 0.00 0.00 0.00 174.94 174.55 3kz1 s ILE 1046N 0.97 4.86 -0.26 2.92 1.01 -0.73 -1.38 121.20 128.58 3kz1 s ILE 1046Ca 0.06 0.81 -0.27 0.00 0.00 0.00 0.00 60.65 61.25 3kz1 s ILE 1046Cb -0.19 -4.09 0.01 0.00 0.01 0.00 0.00 42.46 38.19 3kz1 s ILE 1046CO -0.07 -0.27 0.95 0.00 0.00 0.00 0.00 174.94 175.55 3kz1 n THR 1048N 5.45 2.05 -1.74 0.00 -2.24 -0.01 -2.71 114.28 115.09 3kz1 n THR 1048Ca 0.09 -1.30 -0.43 0.00 -2.27 0.00 0.00 64.05 60.14 3kz1 n THR 1048Cb 0.47 0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.69 3kz1 n THR 1048CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3kz1 s SER 1049N -0.98 5.83 0.98 3.42 0.01 -1.25 -4.97 113.70 116.74 3kz1 s SER 1049Ca 0.50 1.93 -0.15 0.00 1.31 0.00 0.00 55.95 59.54 3kz1 s SER 1049Cb 0.34 -2.52 -0.01 0.00 0.21 0.00 0.00 66.02 64.04 3kz1 s SER 1049CO 0.21 -1.66 -0.00 0.29 0.41 0.00 0.00 173.24 172.49 3kz1 n LYS 1050N 8.33 -0.34 0.00 12.44 4.76 -1.26 -3.28 118.16 138.82 3kz1 n LYS 1050Ca 0.25 -0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 3kz1 n LYS 1050Cb 0.44 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 32.04 3kz1 n LYS 1050CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3kz1 n LEU 1051N 0.01 0.00 -4.71 -0.35 0.00 -1.26 -4.89 117.00 105.80 3kz1 n LEU 1051Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 56.01 55.81 3kz1 n LEU 1051Cb 0.56 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.91 3kz1 n LEU 1051CO 0.51 0.00 -0.21 -0.83 0.00 0.00 0.00 177.39 176.86 3kz1 s GLY 1052N -0.89 2.11 0.38 -3.96 0.00 -1.20 -4.93 107.32 98.82 3kz1 s GLY 1052Ca 0.00 -1.96 -0.27 0.00 0.00 0.00 0.00 44.72 42.49 3kz1 s GLY 1052CO 0.00 -1.85 1.28 -4.14 0.00 0.00 0.00 173.10 168.39 3kz1 s PRO 1053N -3.84 4.13 0.14 2.90 0.02 -1.26 -4.89 135.00 132.21 3kz1 s PRO 1053Ca 0.38 2.12 -0.31 0.00 0.02 0.00 0.00 61.00 63.21 3kz1 s PRO 1053Cb 0.00 -2.86 -0.08 0.00 0.02 0.00 0.00 34.50 31.57 3kz1 s PRO 1053CO 0.22 -0.34 1.40 -1.25 -0.33 0.00 0.00 177.00 176.69 3kz1 s PRO 1054N -2.07 4.32 0.16 5.54 0.04 -1.26 -4.94 135.00 136.78 3kz1 s PRO 1054Ca 0.54 2.11 0.10 0.00 0.04 0.00 0.00 61.00 63.79 3kz1 s PRO 1054Cb -0.37 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 30.91 3kz1 s PRO 1054CO 0.48 -0.42 -0.22 -0.65 0.04 0.00 0.00 177.00 176.24 3kz1 s GLN 1055N 0.78 1.37 -0.17 4.56 1.11 -1.10 -4.98 119.66 121.23 3kz1 s GLN 1055Ca 0.63 -1.41 -0.07 0.00 0.01 0.00 0.00 55.36 54.52 3kz1 s GLN 1055Cb -0.38 -1.61 -0.04 0.00 -1.01 0.00 0.00 33.01 29.97 3kz1 s GLN 1055CO 0.33 0.35 0.06 0.42 0.01 0.00 0.00 175.29 176.46 3kz1 s ILE 1056N -1.65 4.82 -0.17 1.08 1.01 -1.26 -0.19 121.20 124.84 3kz1 s ILE 1056Ca 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.77 3kz1 s ILE 1056Cb -0.08 -3.16 -0.01 0.00 0.01 0.00 0.00 42.46 39.22 3kz1 s ILE 1056CO 0.08 0.48 -0.09 -0.31 0.00 0.00 0.00 174.94 175.09 3kz1 s TYR 1057N 0.23 2.89 -0.33 3.97 1.51 -0.48 -5.00 117.35 120.14 3kz1 s TYR 1057Ca 0.04 -0.77 -0.10 0.00 -1.01 0.00 0.00 57.07 55.24 3kz1 s TYR 1057Cb -0.12 -1.96 0.01 0.00 -0.11 0.00 0.00 41.96 39.77 3kz1 s TYR 1057CO 0.00 -0.35 0.17 -2.00 -1.11 0.00 0.00 175.55 172.26 3kz1 s GLU 1058N 0.84 3.14 0.03 -0.62 2.12 -1.26 -0.91 118.70 122.05 3kz1 s GLU 1058Ca -0.03 -0.86 0.06 0.00 0.36 0.00 0.00 54.97 54.51 3kz1 s GLU 1058Cb -0.15 -3.62 -0.03 0.00 0.26 0.00 0.00 34.13 30.59 3kz1 s GLU 1058CO 0.01 -0.52 -0.15 -0.51 -0.54 0.00 0.00 175.26 173.55 3kz1 s LEU 1059N 1.59 2.75 -0.12 2.70 1.43 -0.77 -1.06 118.68 125.20 3kz1 s LEU 1059Ca 0.04 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.81 3kz1 s LEU 1059Cb -0.18 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.44 3kz1 s LEU 1059CO 0.06 0.26 -0.22 -0.69 0.23 0.00 0.00 176.35 175.99 3kz1 s VAL 1060N -0.95 2.18 0.73 -1.59 1.01 0.18 -1.40 120.40 120.56 3kz1 s VAL 1060Ca 0.15 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 61.10 3kz1 s VAL 1060Cb -0.11 -1.85 0.07 0.00 0.00 0.00 0.00 36.38 34.49 3kz1 s VAL 1060CO 0.06 0.55 1.04 0.00 0.00 0.00 0.00 175.10 176.75 3kz1 s ALA 1061N 0.48 3.10 0.01 5.51 0.00 0.20 -1.63 121.76 129.42 3kz1 s ALA 1061Ca -0.15 -0.95 -0.23 0.00 0.00 0.00 0.00 51.96 50.63 3kz1 s ALA 1061Cb -0.17 -2.61 -0.17 0.00 0.00 0.00 0.00 23.12 20.16 3kz1 s ALA 1061CO 0.06 -1.39 1.33 -0.07 0.00 0.00 0.00 175.76 175.68 3kz1 h LEU 1062N -0.68 0.15 -9.16 0.00 3.38 -1.85 -3.47 115.31 103.68 3kz1 h LEU 1062Ca -0.44 -0.45 -0.46 0.00 0.09 0.00 0.00 57.88 56.62 3kz1 h LEU 1062Cb 1.31 -0.04 -0.14 0.00 0.09 0.00 0.00 40.66 41.88 3kz1 h LEU 1062CO 0.59 0.57 -0.57 0.42 0.09 0.00 0.00 178.44 179.54 3kz1 s THR 1063N -4.41 0.65 0.06 0.22 -4.23 -1.26 -5.00 115.64 101.67 3kz1 s THR 1063Ca -0.15 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.15 3kz1 s THR 1063Cb 0.03 -2.55 -0.12 0.00 1.34 0.00 0.00 72.50 71.21 3kz1 s THR 1063CO 0.70 0.00 1.49 0.77 -0.54 0.00 0.00 174.62 177.04 3kz1 h SER 1064N 2.09 0.28 -0.81 3.99 4.64 -1.91 -2.25 113.55 119.58 3kz1 h SER 1064Ca -0.36 -0.31 0.17 0.00 -0.47 0.00 0.00 61.79 60.81 3kz1 h SER 1064Cb 1.26 -0.08 -0.11 0.00 -0.31 0.00 0.00 62.40 63.16 3kz1 h SER 1064CO 0.59 0.53 0.31 -1.28 -0.87 0.00 0.00 176.83 176.11 3kz1 h SER 1065N 0.03 0.25 0.01 4.97 0.87 -1.97 0.11 113.55 117.82 3kz1 h SER 1065Ca 0.05 0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.67 3kz1 h SER 1065Cb 0.38 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 3kz1 h SER 1065CO 0.01 0.04 -0.17 -0.78 -0.53 0.00 0.00 176.83 175.40 3kz1 h ASP 1066N 0.40 0.29 -0.50 6.23 3.58 -1.88 -2.74 116.42 121.80 3kz1 h ASP 1066Ca 0.47 -0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.79 3kz1 h ASP 1066Cb 0.79 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.74 3kz1 h ASP 1066CO -0.47 0.49 0.10 0.50 -2.88 0.00 0.00 179.24 176.98 3kz1 h LYS 1067N 0.28 0.82 -0.87 0.28 3.64 -0.22 -2.09 116.57 118.41 3kz1 h LYS 1067Ca 0.05 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3kz1 h LYS 1067Cb 0.47 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 3kz1 h LYS 1067CO 0.03 0.81 0.56 -0.91 -2.27 0.00 0.00 179.45 177.66 3kz1 h ASN 1068N 0.71 1.02 -0.13 4.20 -0.26 -1.11 -0.89 115.58 119.11 3kz1 h ASN 1068Ca 0.16 -0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.85 3kz1 h ASN 1068Cb 0.37 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.37 3kz1 h ASN 1068CO 0.01 0.76 0.06 0.74 -1.06 0.00 0.00 177.43 177.93 3kz1 h THR 1069N 1.19 1.13 -0.63 2.81 2.02 -1.20 -0.64 112.91 117.58 3kz1 h THR 1069Ca 0.32 -0.39 -0.06 0.00 0.77 0.00 0.00 66.41 67.04 3kz1 h THR 1069Cb -0.10 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 3kz1 h THR 1069CO -0.06 0.12 0.15 -0.50 0.37 0.00 0.00 175.52 175.59 3kz1 h TRP 1070N 0.07 1.04 -0.56 3.16 4.06 -1.15 -2.04 115.95 120.53 3kz1 h TRP 1070Ca 0.04 -0.11 -0.01 0.00 2.06 0.00 0.00 58.89 60.87 3kz1 h TRP 1070Cb 0.14 -0.30 -0.03 0.00 -1.00 0.00 0.00 29.16 27.98 3kz1 h TRP 1070CO -0.02 0.86 0.29 0.52 -3.56 0.00 0.00 178.44 176.53 3kz1 h MET 1071N 0.95 0.79 -0.29 0.49 2.86 -0.85 0.21 114.93 119.08 3kz1 h MET 1071Ca 0.20 -0.10 -0.16 0.00 -2.06 0.00 0.00 59.70 57.58 3kz1 h MET 1071Cb 0.35 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 3kz1 h MET 1071CO 0.00 0.62 -0.44 0.93 1.06 0.00 0.00 176.91 179.08 3kz1 h GLU 1072N 0.75 0.81 -0.47 1.72 5.08 -1.01 -0.55 114.58 120.90 3kz1 h GLU 1072Ca 0.19 -0.48 -0.09 0.00 -1.00 0.00 0.00 59.36 57.98 3kz1 h GLU 1072Cb 0.07 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3kz1 h GLU 1072CO -0.03 1.12 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.97 3kz1 h LEU 1073N 0.57 0.86 0.11 1.33 3.38 -1.29 -2.12 115.31 118.16 3kz1 h LEU 1073Ca 0.03 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 3kz1 h LEU 1073Cb 1.04 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3kz1 h LEU 1073CO 0.10 1.00 -0.05 -0.07 0.09 0.00 0.00 178.44 179.50 3kz1 h LEU 1074N 0.71 -0.13 -2.03 1.67 4.07 -0.58 -1.31 115.31 117.71 3kz1 h LEU 1074Ca 0.12 -0.27 0.13 0.00 0.08 0.00 0.00 57.88 57.94 3kz1 h LEU 1074Cb 0.59 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.35 3kz1 h LEU 1074CO 0.04 0.21 0.37 -0.33 -1.08 0.00 0.00 178.44 177.65 3kz1 h GLU 1075N -0.49 0.00 0.06 1.13 5.08 -1.13 -2.27 114.58 116.97 3kz1 h GLU 1075Ca -0.02 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 3kz1 h GLU 1075Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3kz1 h GLU 1075CO 0.03 0.00 -0.57 1.49 -1.00 0.00 0.00 179.01 178.96 3kz1 h GLU 1076N 0.00 0.13 -0.06 2.33 4.57 -1.26 -3.07 114.58 117.22 3kz1 h GLU 1076Ca 0.21 -0.23 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 3kz1 h GLU 1076Cb 0.95 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.61 3kz1 h GLU 1076CO -0.00 1.11 -0.12 0.00 -1.18 0.00 0.00 179.01 178.82 3kz1 h ALA 1077N -0.02 1.69 -0.06 2.92 0.00 -0.95 -2.16 119.26 120.67 3kz1 h ALA 1077Ca -0.12 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 3kz1 h ALA 1077Cb 1.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3kz1 h ALA 1077CO 0.04 0.23 -0.20 0.28 0.00 0.00 0.00 179.25 179.60 3kz1 h VAL 1078N 0.09 1.44 -0.88 0.00 2.07 -1.54 -1.44 116.25 115.98 3kz1 h VAL 1078Ca 0.02 -1.60 0.08 0.00 0.82 0.00 0.00 66.70 66.02 3kz1 h VAL 1078Cb 0.27 2.32 -0.07 0.00 -1.52 0.00 0.00 31.29 32.29 3kz1 h VAL 1078CO 0.02 0.45 0.54 -0.09 0.02 0.00 0.00 177.57 178.50 3kz1 h ARG 1079N -0.28 0.90 -0.50 1.57 2.43 -1.42 -0.66 114.38 116.43 3kz1 h ARG 1079Ca -0.01 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 3kz1 h ARG 1079Cb 0.83 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 3kz1 h ARG 1079CO 0.04 0.60 0.16 -0.91 -1.51 0.00 0.00 179.97 178.35 3kz1 h ASN 1080N 0.93 0.68 -0.02 -3.80 2.35 -1.32 -3.52 115.58 110.89 3kz1 h ASN 1080Ca 0.41 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 3kz1 h ASN 1080Cb 0.29 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.48 3kz1 h ASN 1080CO -0.21 0.64 0.00 0.00 -1.65 0.00 0.00 177.43 176.21