#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrz n GLY 716 N 0.00 1.00 3.94 6.12 0.00 -1.26 -4.95 105.19 110.04 3hrz n GLY 716 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3hrz n GLY 716 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hrz s PHE 717 N -2.36 3.47 0.29 1.61 0.08 -1.26 0.31 117.98 120.12 3hrz s PHE 717 Ca 0.00 0.10 -0.30 0.00 0.12 0.00 0.00 56.93 56.85 3hrz s PHE 717 Cb 0.00 -1.65 -0.12 0.00 -0.57 0.00 0.00 43.02 40.68 3hrz s PHE 717 CO 0.00 0.51 1.55 -0.89 -0.10 0.00 0.00 175.22 176.29 3hrz n ILE 718 N -0.62 1.07 -1.74 0.64 2.08 -1.26 -4.96 119.36 114.57 3hrz n ILE 718 Ca -0.07 -0.27 -0.42 0.00 0.56 0.00 0.00 62.75 62.55 3hrz n ILE 718 Cb 0.54 -1.86 -0.01 0.00 -0.75 0.00 0.00 39.64 37.56 3hrz n ILE 718 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3hrz n ALA 719 N 1.99 2.31 -0.25 -1.39 0.00 -1.26 -4.91 120.51 117.00 3hrz n ALA 719 Ca 0.09 0.37 0.03 0.00 0.00 0.00 0.00 53.44 53.92 3hrz n ALA 719 Cb 0.36 -2.42 0.15 0.00 0.00 0.00 0.00 19.45 17.54 3hrz n ALA 719 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3hrz h ASP 720 N 4.10 0.44 0.39 0.00 3.58 -1.95 -0.87 116.42 122.12 3hrz h ASP 720 Ca -0.48 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.04 3hrz h ASP 720 Cb 1.24 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.29 3hrz h ASP 720 CO 0.74 0.24 -0.04 0.77 -2.88 0.00 0.00 179.24 178.07 3hrz h SER 721 N 0.58 0.00 0.08 2.28 4.64 -2.04 0.38 113.55 119.47 3hrz h SER 721 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3hrz h SER 721 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3hrz h SER 721 CO -0.30 0.04 -0.02 0.47 -0.87 0.00 0.00 176.83 176.15 3hrz n ASP 722 N -3.30 0.45 -4.30 4.97 8.00 -0.33 -4.62 116.55 117.42 3hrz n ASP 722 Ca -0.02 -1.02 -0.42 0.00 0.71 0.00 0.00 54.79 54.04 3hrz n ASP 722 Cb 0.19 -0.03 -0.08 0.00 -0.02 0.00 0.00 41.12 41.18 3hrz n ASP 722 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hrz s ILE 723 N -2.10 4.68 -0.41 0.53 1.01 0.12 -5.00 121.20 120.03 3hrz s ILE 723 Ca 0.42 -1.37 -0.20 0.00 0.00 0.00 0.00 60.65 59.49 3hrz s ILE 723 Cb 0.21 -3.89 0.02 0.00 0.01 0.00 0.00 42.46 38.81 3hrz s ILE 723 CO 0.38 -0.62 0.63 -0.63 0.00 0.00 0.00 174.94 174.70 3hrz s ILE 724 N 1.51 4.86 0.34 2.92 -1.09 -1.26 -4.92 121.20 123.55 3hrz s ILE 724 Ca 0.04 0.27 -0.28 0.00 -2.23 0.00 0.00 60.65 58.46 3hrz s ILE 724 Cb -0.25 -4.15 -0.09 0.00 -1.58 0.00 0.00 42.46 36.39 3hrz s ILE 724 CO 0.03 -0.48 1.16 -0.44 -1.23 0.00 0.00 174.94 173.98 3hrz s SER 725 N 1.92 6.88 0.17 3.58 0.01 -1.26 -4.55 113.70 120.46 3hrz s SER 725 Ca 0.23 2.37 -0.30 0.00 1.31 0.00 0.00 55.95 59.56 3hrz s SER 725 Cb -0.14 -2.62 -0.07 0.00 0.21 0.00 0.00 66.02 63.39 3hrz s SER 725 CO 0.17 -0.43 1.01 -0.13 0.41 0.00 0.00 173.24 174.28 3hrz s ARG 726 N -1.87 4.69 0.00 12.44 0.52 0.10 -4.84 118.95 129.99 3hrz s ARG 726 Ca 0.50 1.57 0.00 0.00 -0.52 0.00 0.00 55.73 57.28 3hrz s ARG 726 Cb -0.33 -3.31 0.00 0.00 0.52 0.00 0.00 34.95 31.83 3hrz s ARG 726 CO 0.42 0.23 0.00 -1.13 0.02 0.00 0.00 175.30 174.84 3hrz n SER 727 N 2.28 0.00 -4.42 0.23 3.41 -1.26 -0.96 113.62 112.90 3hrz n SER 727 Ca 0.01 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.18 3hrz n SER 727 Cb 0.47 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.39 3hrz n SER 727 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hrz s ASP 728 N 0.00 6.33 -0.55 4.04 -1.08 -1.26 -4.92 116.67 119.24 3hrz s ASP 728 Ca 0.00 -1.50 0.07 0.00 -0.52 0.00 0.00 52.55 50.60 3hrz s ASP 728 Cb 0.00 -2.37 0.31 0.00 -1.46 0.00 0.00 42.92 39.39 3hrz s ASP 728 CO 0.00 -1.20 0.81 0.49 0.52 0.00 0.00 175.17 175.79 3hrz n PHE 729 N 6.82 2.89 -2.64 -5.34 3.72 -1.26 -0.35 117.46 121.31 3hrz n PHE 729 Ca 0.03 -3.97 -0.34 0.00 -0.05 0.00 0.00 57.45 53.12 3hrz n PHE 729 Cb 0.46 -0.49 -0.05 0.00 -0.94 0.00 0.00 39.48 38.46 3hrz n PHE 729 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3hrz s PRO 730 N -2.79 3.96 0.11 -1.08 0.04 -1.26 -4.96 135.00 129.03 3hrz s PRO 730 Ca 0.44 1.26 0.03 0.00 0.04 0.00 0.00 61.00 62.76 3hrz s PRO 730 Cb 0.24 -2.13 -0.20 0.00 0.04 0.00 0.00 34.50 32.46 3hrz s PRO 730 CO -0.09 -0.28 1.26 0.87 0.04 0.00 0.00 177.00 178.80 3hrz h LYS 731 N 1.66 0.10 -3.07 4.56 1.57 -2.05 -3.46 116.57 115.89 3hrz h LYS 731 Ca -0.49 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.01 3hrz h LYS 731 Cb 1.20 0.06 -0.20 0.00 0.08 0.00 0.00 32.23 33.38 3hrz h LYS 731 CO 0.60 1.05 -0.27 -1.54 -0.57 0.00 0.00 179.45 178.72 3hrz s SER 732 N -6.87 -0.18 0.09 0.86 1.04 -1.26 -5.11 113.70 102.26 3hrz s SER 732 Ca -0.01 0.04 -0.04 0.00 0.48 0.00 0.00 55.95 56.42 3hrz s SER 732 Cb 0.09 0.32 0.02 0.00 0.10 0.00 0.00 66.02 66.55 3hrz s SER 732 CO 0.84 -0.48 0.20 -2.67 0.98 0.00 0.00 173.24 172.11 3hrz n TRP 733 N 1.15 -1.26 -3.74 5.02 4.27 -1.26 -5.00 117.44 116.62 3hrz n TRP 733 Ca -0.21 -0.44 -0.26 0.00 -3.89 0.00 0.00 57.50 52.70 3hrz n TRP 733 Cb 0.57 0.22 0.05 0.00 -1.36 0.00 0.00 31.31 30.79 3hrz n TRP 733 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 3hrz n LEU 734 N 0.00 -3.05 -4.36 5.67 7.94 -1.26 -4.88 117.00 117.06 3hrz n LEU 734 Ca -0.02 -0.66 -0.43 0.00 -1.11 0.00 0.00 56.01 53.78 3hrz n LEU 734 Cb 0.15 -2.81 0.00 0.00 0.53 0.00 0.00 43.42 41.28 3hrz n LEU 734 CO 0.07 0.55 1.72 1.87 -1.11 0.00 0.00 177.39 180.48 3hrz n TRP 735 N -4.79 4.52 -4.33 1.96 -0.00 -1.26 -4.92 117.44 108.61 3hrz n TRP 735 Ca -0.01 -3.12 -0.17 0.00 -0.00 0.00 0.00 57.50 54.20 3hrz n TRP 735 Cb 0.56 -2.30 -0.10 0.00 -0.00 0.00 0.00 31.31 29.46 3hrz n TRP 735 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 3hrz s LEU 736 N 2.07 2.07 -0.05 5.87 1.43 -1.26 -5.15 118.68 123.65 3hrz s LEU 736 Ca 0.46 -1.26 0.03 0.00 -1.03 0.00 0.00 54.13 52.32 3hrz s LEU 736 Cb 0.02 -0.20 0.01 0.00 0.03 0.00 0.00 46.19 46.05 3hrz s LEU 736 CO 0.02 -0.57 -0.12 -0.89 0.23 0.00 0.00 176.35 175.01 3hrz s THR 737 N -3.50 1.11 0.14 5.49 2.01 -1.26 -5.11 115.64 114.51 3hrz s THR 737 Ca 0.31 -0.49 0.11 0.00 0.31 0.00 0.00 61.69 61.93 3hrz s THR 737 Cb 0.06 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 3hrz s THR 737 CO 0.10 0.34 -0.26 -0.54 -0.69 0.00 0.00 174.62 173.57 3hrz s LYS 738 N 0.47 1.45 -0.16 4.92 -0.14 -1.26 -5.13 119.74 119.90 3hrz s LYS 738 Ca -0.10 -1.37 -0.01 0.00 -1.36 0.00 0.00 55.97 53.13 3hrz s LYS 738 Cb -0.14 -1.91 -0.01 0.00 -1.68 0.00 0.00 37.83 34.10 3hrz s LYS 738 CO 0.03 0.44 -0.12 -0.51 -0.76 0.00 0.00 175.35 174.44 3hrz s ASP 739 N -2.17 4.01 -1.11 2.83 1.01 -1.26 -5.02 116.67 114.96 3hrz s ASP 739 Ca 0.15 -0.37 -0.22 0.00 0.71 0.00 0.00 52.55 52.83 3hrz s ASP 739 Cb -0.10 -1.63 -0.01 0.00 1.01 0.00 0.00 42.92 42.19 3hrz s ASP 739 CO 0.07 0.11 1.78 -0.76 0.21 0.00 0.00 175.17 176.58 3hrz s LEU 740 N 0.69 3.37 0.03 1.23 1.43 -1.26 -4.69 118.68 119.48 3hrz s LEU 740 Ca -0.06 -1.57 0.24 0.00 -1.03 0.00 0.00 54.13 51.72 3hrz s LEU 740 Cb -0.15 -2.58 0.40 0.00 0.03 0.00 0.00 46.19 43.90 3hrz s LEU 740 CO 0.02 -2.19 1.34 1.07 0.23 0.00 0.00 176.35 176.82 3hrz n THR 741 N 7.28 0.10 -2.32 5.49 5.66 -1.26 -4.96 114.28 124.27 3hrz n THR 741 Ca 0.42 -0.09 -0.28 0.00 -3.05 0.00 0.00 64.05 61.05 3hrz n THR 741 Cb 0.47 0.18 0.02 0.00 -1.55 0.00 0.00 70.33 69.45 3hrz n THR 741 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3hrz s GLU 742 N -3.06 3.21 0.08 1.09 2.02 -1.26 -5.00 118.70 115.78 3hrz s GLU 742 Ca 0.09 0.24 -0.31 0.00 0.02 0.00 0.00 54.97 55.01 3hrz s GLU 742 Cb 0.16 -2.24 -0.08 0.00 0.10 0.00 0.00 34.13 32.08 3hrz s GLU 742 CO 0.72 -0.58 1.50 -2.00 0.02 0.00 0.00 175.26 174.93 3hrz s GLU 743 N -5.00 4.26 0.43 1.61 2.56 -1.26 -4.75 118.70 116.55 3hrz s GLU 743 Ca 0.53 2.17 -0.25 0.00 0.00 0.00 0.00 54.97 57.42 3hrz s GLU 743 Cb -0.11 -3.42 -0.10 0.00 2.00 0.00 0.00 34.13 32.51 3hrz s GLU 743 CO 0.47 -0.59 1.16 -2.30 -0.56 0.00 0.00 175.26 173.44 3hrz n PRO 744 N 4.80 1.65 -0.93 4.30 -0.02 -1.26 -4.64 135.00 138.90 3hrz n PRO 744 Ca 0.14 0.59 -0.17 0.00 -2.02 0.00 0.00 63.50 62.04 3hrz n PRO 744 Cb 0.41 -2.24 0.12 0.00 -0.02 0.00 0.00 33.50 31.78 3hrz n PRO 744 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3hrz n ASN 745 N 0.26 -0.45 0.30 2.55 0.23 0.12 -4.81 115.26 113.46 3hrz n ASN 745 Ca 0.08 -1.15 0.14 0.00 -0.53 0.00 0.00 54.58 53.11 3hrz n ASN 745 Cb 0.40 -0.58 0.73 0.00 -2.08 0.00 0.00 39.78 38.25 3hrz n ASN 745 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3hrz h SER 746 N -1.29 0.00 -0.21 0.53 0.02 -1.95 -1.57 113.55 109.08 3hrz h SER 746 Ca -0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 3hrz h SER 746 Cb 0.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.22 3hrz h SER 746 CO 0.17 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.86 3hrz n GLN 747 N -2.73 2.60 -0.96 3.45 6.02 -1.26 -4.94 117.38 119.56 3hrz n GLN 747 Ca -0.02 -2.68 0.00 0.00 -0.01 0.00 0.00 57.00 54.29 3hrz n GLN 747 Cb 0.37 -1.70 0.00 0.00 1.02 0.00 0.00 30.24 29.93 3hrz n GLN 747 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hrz n GLY 748 N -0.60 0.63 3.55 1.08 0.00 -0.59 -5.03 105.19 104.22 3hrz n GLY 748 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 3hrz n GLY 748 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hrz s ILE 749 N -2.45 4.66 -0.14 -0.61 -1.09 -1.26 -4.74 121.20 115.59 3hrz s ILE 749 Ca 0.00 -0.06 -0.05 0.00 -2.23 0.00 0.00 60.65 58.30 3hrz s ILE 749 Cb 0.00 -3.16 -0.04 0.00 -1.58 0.00 0.00 42.46 37.69 3hrz s ILE 749 CO 0.00 0.37 0.06 -0.94 -1.23 0.00 0.00 174.94 173.20 3hrz s SER 750 N 1.13 5.65 0.29 3.58 1.04 -1.26 0.14 113.70 124.27 3hrz s SER 750 Ca 0.05 0.18 0.07 0.00 0.48 0.00 0.00 55.95 56.73 3hrz s SER 750 Cb -0.14 -1.83 -0.03 0.00 0.10 0.00 0.00 66.02 64.12 3hrz s SER 750 CO 0.04 0.29 0.26 -0.55 0.98 0.00 0.00 173.24 174.26 3hrz s SER 751 N -0.35 5.47 -0.21 7.02 0.15 -1.26 -4.99 113.70 119.53 3hrz s SER 751 Ca 0.09 -0.35 -0.05 0.00 0.70 0.00 0.00 55.95 56.34 3hrz s SER 751 Cb -0.12 -1.21 0.11 0.00 -1.71 0.00 0.00 66.02 63.09 3hrz s SER 751 CO 0.02 -0.21 0.38 -0.75 1.20 0.00 0.00 173.24 173.88 3hrz s LYS 752 N -3.94 0.32 0.00 5.44 2.47 -1.26 -4.49 119.74 118.28 3hrz s LYS 752 Ca 0.37 0.74 -0.22 0.00 -1.56 0.00 0.00 55.97 55.31 3hrz s LYS 752 Cb -0.07 -0.13 -0.05 0.00 -1.46 0.00 0.00 37.83 36.11 3hrz s LYS 752 CO 0.26 -0.46 0.66 0.99 0.16 0.00 0.00 175.35 176.96 3hrz s THR 753 N 2.56 4.87 -0.09 3.43 2.01 -1.26 -5.05 115.64 122.10 3hrz s THR 753 Ca 0.06 1.38 0.00 0.00 0.31 0.00 0.00 61.69 63.44 3hrz s THR 753 Cb -0.14 -4.00 0.02 0.00 0.01 0.00 0.00 72.50 68.40 3hrz s THR 753 CO -0.14 0.38 -0.07 -0.32 -0.69 0.00 0.00 174.62 173.78 3hrz s MET 754 N -0.04 1.36 -0.11 4.92 1.75 -1.26 -5.13 119.30 120.80 3hrz s MET 754 Ca 0.34 -0.22 -0.05 0.00 -1.25 0.00 0.00 55.69 54.51 3hrz s MET 754 Cb -0.19 -1.40 -0.04 0.00 2.84 0.00 0.00 34.83 36.05 3hrz s MET 754 CO 0.19 -0.20 0.07 -1.12 -0.65 0.00 0.00 175.02 173.31 3hrz s SER 755 N 1.49 5.83 0.29 1.11 0.01 -1.26 -5.10 113.70 116.06 3hrz s SER 755 Ca 0.00 0.29 -0.17 0.00 1.31 0.00 0.00 55.95 57.38 3hrz s SER 755 Cb -0.13 -1.81 0.02 0.00 0.21 0.00 0.00 66.02 64.31 3hrz s SER 755 CO -0.05 0.37 0.65 0.72 0.41 0.00 0.00 173.24 175.34 3hrz s PHE 756 N -0.81 0.08 0.04 2.43 -0.12 -1.26 -5.17 117.98 113.18 3hrz s PHE 756 Ca 0.13 -0.54 0.04 0.00 -0.05 0.00 0.00 56.93 56.51 3hrz s PHE 756 Cb -0.12 0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 42.78 3hrz s PHE 756 CO 0.03 -1.22 -0.06 0.71 -0.05 0.00 0.00 175.22 174.63 3hrz s TYR 757 N -3.64 2.87 0.56 3.49 2.02 -1.26 -5.11 117.35 116.27 3hrz s TYR 757 Ca 0.16 -0.07 -0.18 0.00 -0.37 0.00 0.00 57.07 56.61 3hrz s TYR 757 Cb -0.04 -1.55 -0.05 0.00 -0.40 0.00 0.00 41.96 39.92 3hrz s TYR 757 CO 0.09 0.40 1.10 -0.51 -1.57 0.00 0.00 175.55 175.06 3hrz s LEU 758 N -1.76 3.67 0.00 -1.29 1.43 -1.26 -5.07 118.68 114.40 3hrz s LEU 758 Ca 0.20 2.05 0.00 0.00 -1.03 0.00 0.00 54.13 55.34 3hrz s LEU 758 Cb -0.11 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.54 3hrz s LEU 758 CO 0.11 -1.20 0.00 0.54 0.23 0.00 0.00 176.35 176.03 3hrz n ARG 759 N -1.53 0.14 0.02 1.70 5.12 -1.26 -5.00 116.66 115.85 3hrz n ARG 759 Ca 0.11 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.14 3hrz n ARG 759 Cb 0.52 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.79 3hrz n ARG 759 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3hrz n ASP 760 N -1.59 0.60 -4.75 0.55 8.00 0.53 -4.98 116.55 114.91 3hrz n ASP 760 Ca 0.00 -0.33 -0.38 0.00 0.71 0.00 0.00 54.79 54.79 3hrz n ASP 760 Cb 0.00 0.99 0.04 0.00 -0.02 0.00 0.00 41.12 42.13 3hrz n ASP 760 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3hrz s SER 761 N -3.82 5.30 -0.50 -2.24 0.01 -1.22 -4.88 113.70 106.33 3hrz s SER 761 Ca 0.03 2.68 -0.16 0.00 1.31 0.00 0.00 55.95 59.81 3hrz s SER 761 Cb 0.15 -2.63 0.10 0.00 0.21 0.00 0.00 66.02 63.85 3hrz s SER 761 CO 0.83 -1.54 0.45 -0.63 0.41 0.00 0.00 173.24 172.75 3hrz s ILE 762 N -1.35 5.22 0.03 1.44 1.01 -1.26 -4.87 121.20 121.42 3hrz s ILE 762 Ca 0.72 -1.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.06 3hrz s ILE 762 Cb -0.38 -4.23 0.01 0.00 0.01 0.00 0.00 42.46 37.87 3hrz s ILE 762 CO 0.45 -0.72 0.18 1.07 0.00 0.00 0.00 174.94 175.93 3hrz n THR 763 N 5.23 0.00 -4.58 2.92 5.66 -1.20 -4.98 114.28 117.32 3hrz n THR 763 Ca -0.13 -0.09 -0.33 0.00 -3.05 0.00 0.00 64.05 60.45 3hrz n THR 763 Cb 0.42 0.13 -0.14 0.00 -1.55 0.00 0.00 70.33 69.19 3hrz n THR 763 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3hrz s THR 764 N -2.43 3.22 0.18 1.09 2.01 -1.26 -0.50 115.64 117.94 3hrz s THR 764 Ca 0.04 -0.59 -0.05 0.00 0.31 0.00 0.00 61.69 61.40 3hrz s THR 764 Cb -0.00 -2.38 -0.06 0.00 0.01 0.00 0.00 72.50 70.07 3hrz s THR 764 CO 0.01 0.51 0.42 0.26 -0.69 0.00 0.00 174.62 175.12 3hrz s TRP 765 N 0.52 3.47 -0.24 4.92 0.52 0.52 -4.92 118.94 123.74 3hrz s TRP 765 Ca -0.07 0.57 0.02 0.00 0.02 0.00 0.00 56.10 56.64 3hrz s TRP 765 Cb -0.15 -2.03 0.04 0.00 -1.15 0.00 0.00 33.47 30.19 3hrz s TRP 765 CO 0.04 0.38 -0.12 0.08 0.02 0.00 0.00 176.95 177.34 3hrz s VAL 766 N -1.75 2.27 -0.26 4.03 1.01 -1.26 -0.61 120.40 123.83 3hrz s VAL 766 Ca 0.42 -1.35 -0.21 0.00 0.00 0.00 0.00 61.98 60.84 3hrz s VAL 766 Cb -0.12 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 3hrz s VAL 766 CO 0.25 0.16 0.66 -0.69 0.00 0.00 0.00 175.10 175.48 3hrz s VAL 767 N 1.19 4.96 -0.16 2.92 1.01 0.20 -4.92 120.40 125.61 3hrz s VAL 767 Ca -0.04 1.18 -0.02 0.00 0.00 0.00 0.00 61.98 63.10 3hrz s VAL 767 Cb -0.18 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 3hrz s VAL 767 CO -0.07 0.00 -0.08 -0.76 0.00 0.00 0.00 175.10 174.19 3hrz s LEU 768 N 2.56 2.95 -0.06 3.92 1.43 -1.26 -1.99 118.68 126.23 3hrz s LEU 768 Ca 0.27 -0.26 0.05 0.00 -1.03 0.00 0.00 54.13 53.16 3hrz s LEU 768 Cb -0.15 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 3hrz s LEU 768 CO 0.08 0.13 -0.19 0.00 0.23 0.00 0.00 176.35 176.61 3hrz s ALA 769 N 0.55 2.43 -0.08 4.21 0.00 -1.26 -5.05 121.76 122.55 3hrz s ALA 769 Ca -0.06 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.90 3hrz s ALA 769 Cb -0.15 -0.84 0.02 0.00 0.00 0.00 0.00 23.12 22.15 3hrz s ALA 769 CO 0.03 0.48 -0.08 0.08 0.00 0.00 0.00 175.76 176.26 3hrz s VAL 770 N -0.43 0.95 0.27 0.00 1.01 -1.26 -0.91 120.40 120.03 3hrz s VAL 770 Ca 0.05 -0.31 0.11 0.00 0.00 0.00 0.00 61.98 61.82 3hrz s VAL 770 Cb -0.12 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 3hrz s VAL 770 CO 0.02 0.33 -0.10 -0.94 0.00 0.00 0.00 175.10 174.41 3hrz s SER 771 N 1.21 4.09 -0.02 3.32 1.04 0.54 -4.95 113.70 118.94 3hrz s SER 771 Ca -0.05 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.57 3hrz s SER 771 Cb -0.14 -0.59 0.02 0.00 0.10 0.00 0.00 66.02 65.41 3hrz s SER 771 CO -0.02 0.03 0.02 0.12 0.98 0.00 0.00 173.24 174.36 3hrz s PHE 772 N -2.35 0.06 -0.01 5.02 5.36 -1.26 -1.01 117.98 123.78 3hrz s PHE 772 Ca 0.30 0.08 0.02 0.00 -0.96 0.00 0.00 56.93 56.37 3hrz s PHE 772 Cb -0.06 -0.20 -0.00 0.00 -0.34 0.00 0.00 43.02 42.42 3hrz s PHE 772 CO 0.17 -0.07 -0.06 0.95 -1.46 0.00 0.00 175.22 174.76 3hrz s THR 773 N 0.78 0.46 0.37 0.12 -4.23 -1.14 -5.03 115.64 106.97 3hrz s THR 773 Ca -0.07 -0.23 0.21 0.00 -1.18 0.00 0.00 61.69 60.42 3hrz s THR 773 Cb -0.10 -0.40 0.37 0.00 1.34 0.00 0.00 72.50 73.72 3hrz s THR 773 CO -0.02 0.14 1.61 -0.65 -0.54 0.00 0.00 174.62 175.16 3hrz h PRO 774 N 6.10 0.11 0.00 3.99 0.11 -2.01 0.82 132.00 141.11 3hrz h PRO 774 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3hrz h PRO 774 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3hrz h PRO 774 CO 0.50 0.07 -1.34 0.25 -0.21 0.00 0.00 178.00 177.27 3hrz n THR 775 N -5.10 0.04 0.13 -1.15 -2.24 -1.26 -4.43 114.28 100.26 3hrz n THR 775 Ca 0.36 -0.22 0.07 0.00 -2.27 0.00 0.00 64.05 61.99 3hrz n THR 775 Cb 1.23 0.49 0.13 0.00 -2.10 0.00 0.00 70.33 70.07 3hrz n THR 775 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hrz n LYS 776 N -1.86 1.99 0.00 -0.78 4.76 0.19 -5.08 118.16 117.38 3hrz n LYS 776 Ca 0.01 -1.80 0.00 0.00 -2.87 0.00 0.00 58.31 53.65 3hrz n LYS 776 Cb 0.43 -1.30 0.00 0.00 -1.84 0.00 0.00 35.03 32.32 3hrz n LYS 776 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hrz n GLY 777 N 0.76 2.16 3.80 0.72 0.00 -0.62 -4.64 105.19 107.37 3hrz n GLY 777 Ca 0.11 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 3hrz n GLY 777 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hrz s ILE 778 N 0.00 5.45 -0.16 -0.61 1.01 -1.26 -2.87 121.20 122.77 3hrz s ILE 778 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.86 3hrz s ILE 778 Cb 0.00 -3.44 0.02 0.00 0.01 0.00 0.00 42.46 39.05 3hrz s ILE 778 CO 0.00 0.52 -0.14 0.00 0.00 0.00 0.00 174.94 175.33 3hrz s VAL 780 N 1.47 5.13 0.61 0.00 1.01 -1.26 -0.33 120.40 127.02 3hrz s VAL 780 Ca 0.04 0.77 -0.12 0.00 0.00 0.00 0.00 61.98 62.68 3hrz s VAL 780 Cb -0.13 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 3hrz s VAL 780 CO -0.11 0.15 1.03 0.00 0.00 0.00 0.00 175.10 176.17 3hrz s ALA 781 N 1.94 3.09 0.34 5.51 0.00 -0.08 -5.02 121.76 127.53 3hrz s ALA 781 Ca 0.20 -0.06 -0.29 0.00 0.00 0.00 0.00 51.96 51.81 3hrz s ALA 781 Cb -0.15 -3.09 -0.10 0.00 0.00 0.00 0.00 23.12 19.78 3hrz s ALA 781 CO 0.09 -0.64 1.37 -1.21 0.00 0.00 0.00 175.76 175.36 3hrz s GLU 782 N -5.05 4.28 0.39 0.00 0.41 -1.26 -4.70 118.70 112.78 3hrz s GLU 782 Ca 0.55 2.32 -0.27 0.00 -0.41 0.00 0.00 54.97 57.16 3hrz s GLU 782 Cb -0.11 -3.05 -0.11 0.00 -1.78 0.00 0.00 34.13 29.09 3hrz s GLU 782 CO 0.51 -0.30 1.39 -2.30 -0.49 0.00 0.00 175.26 174.08 3hrz n PRO 783 N 0.85 2.34 -3.97 0.39 -0.02 -1.26 -4.84 135.00 128.48 3hrz n PRO 783 Ca 0.01 0.82 -0.35 0.00 -2.02 0.00 0.00 63.50 61.96 3hrz n PRO 783 Cb 0.41 -2.53 -0.13 0.00 -0.02 0.00 0.00 33.50 31.23 3hrz n PRO 783 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3hrz s TYR 784 N -1.14 3.02 -0.09 6.00 5.04 -0.84 -4.96 117.35 124.37 3hrz s TYR 784 Ca 0.57 -0.60 -0.12 0.00 -2.44 0.00 0.00 57.07 54.47 3hrz s TYR 784 Cb -0.50 -2.12 -0.05 0.00 0.35 0.00 0.00 41.96 39.65 3hrz s TYR 784 CO 0.61 -0.36 0.29 -1.21 -1.34 0.00 0.00 175.55 173.55 3hrz s GLU 785 N 1.26 3.89 -0.19 4.97 2.02 -1.26 -0.62 118.70 128.77 3hrz s GLU 785 Ca 0.04 0.15 -0.01 0.00 0.02 0.00 0.00 54.97 55.16 3hrz s GLU 785 Cb -0.15 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 30.81 3hrz s GLU 785 CO 0.01 0.57 -0.12 0.42 0.02 0.00 0.00 175.26 176.15 3hrz s ILE 786 N -0.55 2.76 -0.21 -1.63 1.01 0.22 -4.96 121.20 117.85 3hrz s ILE 786 Ca 0.19 -0.71 -0.09 0.00 0.00 0.00 0.00 60.65 60.04 3hrz s ILE 786 Cb -0.14 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 3hrz s ILE 786 CO 0.07 0.49 0.11 -0.60 0.00 0.00 0.00 174.94 175.01 3hrz s ARG 787 N 1.24 4.03 -0.02 2.79 3.52 -1.26 -0.35 118.95 128.90 3hrz s ARG 787 Ca 0.03 -0.30 0.05 0.00 -0.13 0.00 0.00 55.73 55.38 3hrz s ARG 787 Cb -0.14 -3.38 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 3hrz s ARG 787 CO -0.06 0.18 -0.17 0.08 -0.81 0.00 0.00 175.30 174.52 3hrz s VAL 788 N 0.68 2.82 -0.07 7.11 1.01 0.34 -5.01 120.40 127.28 3hrz s VAL 788 Ca 0.06 -0.92 -0.31 0.00 0.00 0.00 0.00 61.98 60.81 3hrz s VAL 788 Cb -0.13 -2.11 0.08 0.00 0.00 0.00 0.00 36.38 34.22 3hrz s VAL 788 CO 0.01 0.52 0.71 -0.32 0.00 0.00 0.00 175.10 176.02 3hrz s MET 789 N -0.91 1.01 0.12 2.72 0.00 -1.26 -3.27 119.30 117.71 3hrz s MET 789 Ca 0.12 0.28 0.06 0.00 0.00 0.00 0.00 55.69 56.15 3hrz s MET 789 Cb -0.10 0.48 -0.04 0.00 0.00 0.00 0.00 34.83 35.16 3hrz s MET 789 CO 0.02 -0.31 -0.14 0.15 0.00 0.00 0.00 175.02 174.73 3hrz s LYS 790 N -1.12 1.04 0.43 4.11 1.02 -1.26 -5.04 119.74 118.91 3hrz s LYS 790 Ca -0.10 -1.25 0.27 0.00 0.02 0.00 0.00 55.97 54.91 3hrz s LYS 790 Cb -0.00 -0.94 0.80 0.00 -0.52 0.00 0.00 37.83 37.17 3hrz s LYS 790 CO 0.09 0.18 1.76 -0.39 -0.92 0.00 0.00 175.35 176.07 3hrz h VAL 791 N 3.50 0.00 -2.91 3.17 -1.51 -1.94 -3.43 116.25 113.13 3hrz h VAL 791 Ca -0.40 -0.69 -0.21 0.00 -1.23 0.00 0.00 66.70 64.16 3hrz h VAL 791 Cb 1.20 1.67 -0.32 0.00 -2.13 0.00 0.00 31.29 31.71 3hrz h VAL 791 CO 0.50 0.00 -0.52 0.12 -1.23 0.00 0.00 177.57 176.45 3hrz s PHE 792 N -3.35 -0.39 0.18 5.19 5.36 -1.26 -0.25 117.98 123.46 3hrz s PHE 792 Ca 0.05 0.91 -0.24 0.00 -0.96 0.00 0.00 56.93 56.70 3hrz s PHE 792 Cb 0.08 -0.02 0.05 0.00 -0.34 0.00 0.00 43.02 42.79 3hrz s PHE 792 CO 0.59 -0.32 0.80 -0.59 -1.46 0.00 0.00 175.22 174.24 3hrz s PHE 793 N 2.08 -0.25 -0.14 10.12 -0.12 -1.05 -4.58 117.98 124.03 3hrz s PHE 793 Ca -0.02 -0.07 -0.07 0.00 -0.05 0.00 0.00 56.93 56.73 3hrz s PHE 793 Cb -0.12 0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 3hrz s PHE 793 CO -0.08 -0.94 0.10 0.42 -0.05 0.00 0.00 175.22 174.67 3hrz s ILE 794 N -3.57 5.17 -0.18 -4.49 1.01 -1.26 -0.92 121.20 116.96 3hrz s ILE 794 Ca 0.09 0.09 -0.00 0.00 0.00 0.00 0.00 60.65 60.83 3hrz s ILE 794 Cb -0.03 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.17 3hrz s ILE 794 CO -0.00 0.55 -0.15 -0.62 0.00 0.00 0.00 174.94 174.72 3hrz s ASP 795 N -0.48 3.59 -0.34 3.58 2.15 0.71 -4.95 116.67 120.92 3hrz s ASP 795 Ca 0.11 -0.52 0.01 0.00 0.43 0.00 0.00 52.55 52.59 3hrz s ASP 795 Cb -0.12 -1.57 0.10 0.00 -0.30 0.00 0.00 42.92 41.04 3hrz s ASP 795 CO 0.02 0.03 0.10 -0.22 -0.17 0.00 0.00 175.17 174.93 3hrz s LEU 796 N 1.11 3.29 -0.22 -1.34 2.96 -1.26 -0.95 118.68 122.27 3hrz s LEU 796 Ca 0.00 -1.97 -0.25 0.00 -0.22 0.00 0.00 54.13 51.70 3hrz s LEU 796 Cb -0.14 -1.19 -0.01 0.00 0.50 0.00 0.00 46.19 45.35 3hrz s LEU 796 CO -0.05 -0.38 0.83 -1.10 -1.32 0.00 0.00 176.35 174.32 3hrz s GLN 797 N 1.17 4.22 0.03 1.98 -1.52 -1.26 -5.06 119.66 119.22 3hrz s GLN 797 Ca 0.11 0.96 0.02 0.00 -1.95 0.00 0.00 55.36 54.50 3hrz s GLN 797 Cb -0.19 -3.62 -0.04 0.00 -0.22 0.00 0.00 33.01 28.94 3hrz s GLN 797 CO -0.16 -0.45 0.04 -1.64 -0.25 0.00 0.00 175.29 172.83 3hrz s MET 798 N 2.60 2.87 0.79 2.91 -1.94 -1.26 -4.61 119.30 120.66 3hrz s MET 798 Ca 0.36 -0.62 -0.12 0.00 -1.71 0.00 0.00 55.69 53.60 3hrz s MET 798 Cb -0.16 -2.73 0.07 0.00 2.01 0.00 0.00 34.83 34.03 3hrz s MET 798 CO 0.09 0.61 1.12 -1.25 -0.01 0.00 0.00 175.02 175.58 3hrz s PRO 799 N -1.90 2.01 0.18 2.03 0.04 -1.26 -4.95 135.00 131.16 3hrz s PRO 799 Ca 0.24 1.36 -0.12 0.00 0.04 0.00 0.00 61.00 62.51 3hrz s PRO 799 Cb -0.12 -1.86 0.10 0.00 0.04 0.00 0.00 34.50 32.66 3hrz s PRO 799 CO 0.15 -1.85 1.79 -0.92 0.04 0.00 0.00 177.00 176.21 3hrz h TYR 800 N -1.06 0.87 -3.54 0.56 3.20 -1.99 -3.45 116.97 111.56 3hrz h TYR 800 Ca -0.44 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.34 3hrz h TYR 800 Cb 1.25 -0.28 -0.13 0.00 1.54 0.00 0.00 36.73 39.12 3hrz h TYR 800 CO 0.54 0.63 -0.15 -1.54 -1.64 0.00 0.00 178.16 176.00 3hrz s SER 801 N -5.95 -0.12 0.14 -2.11 1.04 -1.26 -4.44 113.70 101.00 3hrz s SER 801 Ca -0.13 -0.50 0.02 0.00 0.48 0.00 0.00 55.95 55.83 3hrz s SER 801 Cb 0.13 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 3hrz s SER 801 CO 0.78 -0.87 -0.05 0.68 0.98 0.00 0.00 173.24 174.76 3hrz s VAL 802 N -3.85 0.81 -0.11 5.02 -7.23 0.21 -5.00 120.40 110.25 3hrz s VAL 802 Ca 0.07 -1.98 -0.09 0.00 -1.81 0.00 0.00 61.98 58.16 3hrz s VAL 802 Cb 0.02 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 3hrz s VAL 802 CO -0.08 -0.69 0.18 -0.69 -0.31 0.00 0.00 175.10 173.51 3hrz s VAL 803 N -3.56 5.42 0.27 1.32 1.01 -1.26 -0.59 120.40 123.02 3hrz s VAL 803 Ca 0.18 0.31 -0.30 0.00 0.00 0.00 0.00 61.98 62.16 3hrz s VAL 803 Cb 0.05 -3.46 -0.13 0.00 0.00 0.00 0.00 36.38 32.84 3hrz s VAL 803 CO -0.00 0.59 1.40 1.17 0.00 0.00 0.00 175.10 178.25 3hrz n LYS 804 N 2.18 2.12 -0.74 2.72 4.81 -0.14 -2.40 118.16 126.71 3hrz n LYS 804 Ca -0.18 0.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 3hrz n LYS 804 Cb 0.54 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.19 3hrz n LYS 804 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3hrz n ASN 805 N 1.81 0.00 -4.65 3.14 3.02 0.12 -4.65 115.26 114.05 3hrz n ASN 805 Ca 0.10 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.28 3hrz n ASN 805 Cb 0.33 -0.50 -0.10 0.00 -0.61 0.00 0.00 39.78 38.90 3hrz n ASN 805 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3hrz s GLU 806 N -0.18 4.04 0.27 3.52 2.12 -1.01 -4.92 118.70 122.54 3hrz s GLU 806 Ca 0.00 -0.29 -0.30 0.00 0.36 0.00 0.00 54.97 54.74 3hrz s GLU 806 Cb 0.00 -3.47 -0.10 0.00 0.26 0.00 0.00 34.13 30.82 3hrz s GLU 806 CO 0.00 0.10 1.41 -1.14 -0.54 0.00 0.00 175.26 175.09 3hrz s GLN 807 N 0.93 4.28 0.03 4.30 0.74 -1.26 -4.35 119.66 124.33 3hrz s GLN 807 Ca 0.07 2.30 -0.02 0.00 0.05 0.00 0.00 55.36 57.75 3hrz s GLN 807 Cb -0.13 -3.10 -0.02 0.00 1.10 0.00 0.00 33.01 30.86 3hrz s GLN 807 CO 0.03 -0.38 0.02 0.14 -0.55 0.00 0.00 175.29 174.55 3hrz s VAL 808 N -0.29 0.14 -0.17 1.34 -7.23 0.00 -5.00 120.40 109.19 3hrz s VAL 808 Ca 0.57 -1.15 -0.07 0.00 -1.81 0.00 0.00 61.98 59.53 3hrz s VAL 808 Cb -0.42 -0.74 -0.04 0.00 0.56 0.00 0.00 36.38 35.75 3hrz s VAL 808 CO 0.46 -0.63 0.06 -0.70 -0.31 0.00 0.00 175.10 173.97 3hrz s GLU 809 N -2.33 3.82 -0.18 4.82 2.12 -1.26 -1.04 118.70 124.64 3hrz s GLU 809 Ca -0.08 -0.34 -0.06 0.00 0.36 0.00 0.00 54.97 54.85 3hrz s GLU 809 Cb -0.03 -3.15 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 3hrz s GLU 809 CO -0.04 0.35 0.04 0.42 -0.54 0.00 0.00 175.26 175.49 3hrz s ILE 810 N 0.13 4.52 -0.65 -3.70 -1.09 0.90 -4.94 121.20 116.37 3hrz s ILE 810 Ca 0.04 -0.13 -0.02 0.00 -2.23 0.00 0.00 60.65 58.31 3hrz s ILE 810 Cb -0.12 -3.03 0.17 0.00 -1.58 0.00 0.00 42.46 37.89 3hrz s ILE 810 CO 0.01 0.46 0.46 -0.60 -1.23 0.00 0.00 174.94 174.04 3hrz s ARG 811 N 0.44 2.60 0.52 2.79 3.52 -1.26 0.05 118.95 127.61 3hrz s ARG 811 Ca 0.01 -2.63 -0.19 0.00 -0.13 0.00 0.00 55.73 52.79 3hrz s ARG 811 Cb -0.13 -3.72 -0.07 0.00 -1.56 0.00 0.00 34.95 29.47 3hrz s ARG 811 CO 0.01 -1.18 1.07 0.00 -0.81 0.00 0.00 175.30 174.39 3hrz s ALA 812 N -0.23 2.78 -0.11 6.12 0.00 -0.88 -4.51 121.76 124.92 3hrz s ALA 812 Ca 0.18 0.65 0.02 0.00 0.00 0.00 0.00 51.96 52.81 3hrz s ALA 812 Cb -0.19 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 3hrz s ALA 812 CO -0.04 -0.56 -0.17 0.42 0.00 0.00 0.00 175.76 175.41 3hrz s ILE 813 N -1.98 2.69 -0.23 0.00 -1.09 -0.13 0.15 121.20 120.60 3hrz s ILE 813 Ca 0.69 -0.80 -0.12 0.00 -2.23 0.00 0.00 60.65 58.19 3hrz s ILE 813 Cb -0.19 -2.09 -0.05 0.00 -1.58 0.00 0.00 42.46 38.55 3hrz s ILE 813 CO 0.25 0.54 0.22 -0.22 -1.23 0.00 0.00 174.94 174.50 3hrz s LEU 814 N 0.29 4.12 -0.21 2.97 2.96 0.24 -0.21 118.68 128.84 3hrz s LEU 814 Ca -0.13 0.19 -0.06 0.00 -0.22 0.00 0.00 54.13 53.91 3hrz s LEU 814 Cb -0.16 -2.20 -0.03 0.00 0.50 0.00 0.00 46.19 44.30 3hrz s LEU 814 CO 0.07 0.02 0.04 -1.00 -1.32 0.00 0.00 176.35 174.16 3hrz s HIS 815 N 1.17 3.10 -0.51 5.38 3.76 -0.10 -1.23 115.29 126.86 3hrz s HIS 815 Ca 0.10 -0.31 -0.10 0.00 -0.15 0.00 0.00 55.06 54.60 3hrz s HIS 815 Cb -0.14 -2.13 0.13 0.00 1.11 0.00 0.00 32.58 31.55 3hrz s HIS 815 CO 0.06 -0.18 0.39 1.21 -0.85 0.00 0.00 174.74 175.37 3hrz s ASN 816 N 1.03 5.79 -0.03 1.40 2.47 0.02 -2.54 114.94 123.08 3hrz s ASN 816 Ca 0.03 -2.00 0.16 0.00 0.42 0.00 0.00 52.86 51.46 3hrz s ASN 816 Cb -0.14 -2.03 0.51 0.00 -1.45 0.00 0.00 41.25 38.13 3hrz s ASN 816 CO 0.02 -0.69 1.41 -1.22 -3.72 0.00 0.00 177.10 172.91 3hrz n TYR 817 N 4.81 0.90 -2.81 0.43 4.01 0.66 -1.98 117.16 123.17 3hrz n TYR 817 Ca -0.06 -0.40 -0.41 0.00 -0.16 0.00 0.00 57.90 56.86 3hrz n TYR 817 Cb 0.41 -0.08 -0.04 0.00 -0.31 0.00 0.00 39.34 39.32 3hrz n TYR 817 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3hrz s VAL 818 N -1.46 4.78 -0.78 -0.72 1.01 -1.22 -4.80 120.40 117.20 3hrz s VAL 818 Ca 0.38 1.90 -0.07 0.00 0.00 0.00 0.00 61.98 64.18 3hrz s VAL 818 Cb 0.21 -4.25 -0.16 0.00 0.00 0.00 0.00 36.38 32.19 3hrz s VAL 818 CO 0.23 0.25 3.06 -3.20 0.00 0.00 0.00 175.10 175.44 3hrz n ASN 819 N 3.43 6.48 -3.50 3.32 5.15 -1.26 -1.55 115.26 127.33 3hrz n ASN 819 Ca 0.03 -2.46 -0.12 0.00 -0.60 0.00 0.00 54.58 51.42 3hrz n ASN 819 Cb 0.50 -1.39 -0.04 0.00 -0.53 0.00 0.00 39.78 38.33 3hrz n ASN 819 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 3hrz s GLU 820 N 1.82 0.97 0.32 1.20 -1.05 -1.26 -4.92 118.70 115.78 3hrz s GLU 820 Ca 0.63 -0.12 -0.28 0.00 -0.15 0.00 0.00 54.97 55.05 3hrz s GLU 820 Cb 0.23 0.45 -0.09 0.00 -0.44 0.00 0.00 34.13 34.27 3hrz s GLU 820 CO -0.03 -0.38 1.13 -0.51 0.95 0.00 0.00 175.26 176.42 3hrz s ASP 821 N -1.97 7.04 0.11 0.83 1.01 -1.26 -3.33 116.67 119.10 3hrz s ASP 821 Ca -0.02 2.30 0.03 0.00 0.71 0.00 0.00 52.55 55.57 3hrz s ASP 821 Cb -0.01 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 3hrz s ASP 821 CO -0.03 -0.31 -0.09 0.27 0.21 0.00 0.00 175.17 175.22 3hrz s ILE 822 N -1.26 0.89 -0.12 0.77 -4.36 0.05 -4.88 121.20 112.29 3hrz s ILE 822 Ca 0.49 -1.86 0.01 0.00 -0.26 0.00 0.00 60.65 59.03 3hrz s ILE 822 Cb -0.31 -1.60 -0.01 0.00 1.25 0.00 0.00 42.46 41.78 3hrz s ILE 822 CO 0.40 -0.74 -0.17 -0.47 0.24 0.00 0.00 174.94 174.20 3hrz s TYR 823 N -3.15 2.72 0.16 1.37 5.04 -1.26 0.18 117.35 122.41 3hrz s TYR 823 Ca 0.11 -0.80 0.07 0.00 -2.44 0.00 0.00 57.07 54.01 3hrz s TYR 823 Cb 0.02 -1.80 -0.04 0.00 0.35 0.00 0.00 41.96 40.49 3hrz s TYR 823 CO -0.02 -0.29 -0.14 0.14 -1.34 0.00 0.00 175.55 173.90 3hrz s VAL 824 N 0.35 1.54 -0.09 3.14 -7.23 -0.26 -1.23 120.40 116.62 3hrz s VAL 824 Ca -0.14 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.07 3hrz s VAL 824 Cb -0.17 -1.83 -0.01 0.00 0.56 0.00 0.00 36.38 34.93 3hrz s VAL 824 CO 0.07 -0.53 -0.23 -0.60 -0.31 0.00 0.00 175.10 173.50 3hrz s ARG 825 N -3.26 2.95 -0.02 4.82 3.52 -0.55 -1.68 118.95 124.73 3hrz s ARG 825 Ca 0.17 -0.86 0.04 0.00 -0.13 0.00 0.00 55.73 54.95 3hrz s ARG 825 Cb -0.02 -2.31 -0.00 0.00 -1.56 0.00 0.00 34.95 31.06 3hrz s ARG 825 CO 0.05 0.25 -0.14 0.08 -0.81 0.00 0.00 175.30 174.73 3hrz s VAL 826 N 0.18 1.11 -0.00 7.11 1.01 -0.27 -1.38 120.40 128.16 3hrz s VAL 826 Ca -0.13 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.31 3hrz s VAL 826 Cb -0.16 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 3hrz s VAL 826 CO 0.07 0.32 -0.08 -1.61 0.00 0.00 0.00 175.10 173.80 3hrz s GLU 827 N -0.08 0.63 -0.20 2.72 2.02 -0.00 -1.08 118.70 122.71 3hrz s GLU 827 Ca 0.00 -0.30 -0.10 0.00 0.02 0.00 0.00 54.97 54.59 3hrz s GLU 827 Cb -0.08 -0.60 -0.05 0.00 0.10 0.00 0.00 34.13 33.50 3hrz s GLU 827 CO 0.00 0.16 0.13 -1.17 0.02 0.00 0.00 175.26 174.41 3hrz s LEU 828 N -0.25 4.17 0.40 1.80 2.96 -0.85 -1.88 118.68 125.03 3hrz s LEU 828 Ca 0.03 0.20 -0.24 0.00 -0.22 0.00 0.00 54.13 53.90 3hrz s LEU 828 Cb -0.03 -2.08 -0.09 0.00 0.50 0.00 0.00 46.19 44.48 3hrz s LEU 828 CO -0.00 0.16 1.01 -0.76 -1.32 0.00 0.00 176.35 175.45 3hrz s LEU 829 N 0.45 4.12 0.19 -0.68 1.02 -0.08 -3.62 118.68 120.09 3hrz s LEU 829 Ca 0.08 1.94 -0.30 0.00 0.02 0.00 0.00 54.13 55.87 3hrz s LEU 829 Cb -0.11 -4.24 -0.08 0.00 0.02 0.00 0.00 46.19 41.77 3hrz s LEU 829 CO -0.01 -0.42 1.28 -0.47 0.02 0.00 0.00 176.35 176.75 3hrz s TYR 830 N -1.75 3.30 -0.07 0.29 5.04 -1.26 -4.74 117.35 118.16 3hrz s TYR 830 Ca 0.58 1.27 -0.02 0.00 -2.44 0.00 0.00 57.07 56.45 3hrz s TYR 830 Cb -0.19 -3.56 0.03 0.00 0.35 0.00 0.00 41.96 38.59 3hrz s TYR 830 CO 0.24 -1.72 0.05 1.21 -1.34 0.00 0.00 175.55 173.99 3hrz s ASN 831 N 0.32 1.43 0.64 4.32 3.84 -1.26 -5.03 114.94 119.19 3hrz s ASN 831 Ca 0.56 -0.06 0.32 0.00 0.21 0.00 0.00 52.86 53.89 3hrz s ASN 831 Cb -0.35 -0.23 1.79 0.00 -0.55 0.00 0.00 41.25 41.90 3hrz s ASN 831 CO 0.38 -0.25 2.06 -0.65 -2.79 0.00 0.00 177.10 175.85 3hrz h PRO 832 N 8.41 0.00 0.00 0.43 0.11 -1.98 0.20 132.00 139.17 3hrz h PRO 832 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 3hrz h PRO 832 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3hrz h PRO 832 CO 0.20 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.99 3hrz n ALA 833 N -2.11 1.78 -2.41 -0.75 0.00 -1.26 -4.77 120.51 110.99 3hrz n ALA 833 Ca -0.00 0.01 -0.28 0.00 0.00 0.00 0.00 53.44 53.17 3hrz n ALA 833 Cb 0.33 -1.35 -0.13 0.00 0.00 0.00 0.00 19.45 18.30 3hrz n ALA 833 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3hrz s PHE 834 N -3.16 2.24 -0.29 0.00 0.08 0.70 -0.65 117.98 116.91 3hrz s PHE 834 Ca 0.07 -0.39 -0.16 0.00 0.12 0.00 0.00 56.93 56.57 3hrz s PHE 834 Cb 0.10 -1.22 -0.03 0.00 -0.57 0.00 0.00 43.02 41.31 3hrz s PHE 834 CO 0.38 0.31 0.43 0.00 -0.10 0.00 0.00 175.22 176.24 3hrz n SER 836 N 5.46 -0.65 0.24 0.00 3.41 -1.26 -0.03 113.62 120.79 3hrz n SER 836 Ca -0.07 -2.10 0.16 0.00 -0.26 0.00 0.00 58.87 56.60 3hrz n SER 836 Cb 0.50 1.27 0.63 0.00 -0.26 0.00 0.00 64.21 66.35 3hrz n SER 836 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hrz h ALA 837 N 1.71 1.00 -2.22 7.33 0.00 -1.98 -3.43 119.26 121.68 3hrz h ALA 837 Ca -0.15 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.31 3hrz h ALA 837 Cb 0.66 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3hrz h ALA 837 CO 0.20 0.00 0.35 -1.12 0.00 0.00 0.00 179.25 178.68 3hrz s SER 838 N -5.33 7.05 0.32 0.00 0.01 -1.26 -4.54 113.70 109.95 3hrz s SER 838 Ca 0.02 1.76 0.03 0.00 1.31 0.00 0.00 55.95 59.08 3hrz s SER 838 Cb 0.09 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.70 3hrz s SER 838 CO 0.51 -0.28 0.07 0.42 0.41 0.00 0.00 173.24 174.37 3hrz s THR 839 N -1.96 1.09 0.33 1.44 -4.23 -0.18 -4.89 115.64 107.24 3hrz s THR 839 Ca 0.58 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.11 3hrz s THR 839 Cb -0.13 -2.76 0.27 0.00 1.34 0.00 0.00 72.50 71.23 3hrz s THR 839 CO 0.17 0.00 1.97 0.50 -0.54 0.00 0.00 174.62 176.73 3hrz h LYS 840 N 2.13 0.90 0.00 3.99 3.64 -1.98 -2.45 116.57 122.80 3hrz h LYS 840 Ca -0.40 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 58.86 3hrz h LYS 840 Cb 1.25 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 3hrz h LYS 840 CO 0.68 0.60 -0.59 0.78 -2.27 0.00 0.00 179.45 178.64 3hrz h GLY 841 N 0.93 0.00 -6.58 5.01 0.00 -2.03 -3.46 103.07 96.94 3hrz h GLY 841 Ca 0.30 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.39 3hrz h GLY 841 CO -0.08 0.00 -0.55 1.62 0.00 0.00 0.00 176.54 177.53 3hrz s GLN 842 N -3.12 0.17 0.35 4.80 2.00 -0.92 -5.13 119.66 117.80 3hrz s GLN 842 Ca 0.03 0.59 -0.27 0.00 -2.00 0.00 0.00 55.36 53.71 3hrz s GLN 842 Cb 0.07 -0.37 -0.09 0.00 0.80 0.00 0.00 33.01 33.42 3hrz s GLN 842 CO 0.74 -0.41 1.16 1.03 -0.50 0.00 0.00 175.29 177.31 3hrz s ARG 843 N 2.41 4.32 -0.28 1.67 0.52 -1.26 -1.01 118.95 125.32 3hrz s ARG 843 Ca 0.04 1.86 -0.29 0.00 -0.52 0.00 0.00 55.73 56.81 3hrz s ARG 843 Cb -0.13 -2.91 -0.00 0.00 0.52 0.00 0.00 34.95 32.43 3hrz s ARG 843 CO -0.10 -0.09 1.34 -0.47 0.02 0.00 0.00 175.30 176.00 3hrz s TYR 844 N -1.31 2.62 -0.06 -0.53 5.04 -1.24 -4.93 117.35 116.95 3hrz s TYR 844 Ca 0.51 0.83 0.06 0.00 -2.44 0.00 0.00 57.07 56.04 3hrz s TYR 844 Cb -0.32 -3.89 -0.01 0.00 0.35 0.00 0.00 41.96 38.09 3hrz s TYR 844 CO 0.41 -1.87 -0.24 0.50 -1.34 0.00 0.00 175.55 173.00 3hrz s ARG 845 N 4.19 2.49 0.14 4.97 3.52 -1.26 -2.00 118.95 131.01 3hrz s ARG 845 Ca 0.58 -0.87 0.07 0.00 -0.13 0.00 0.00 55.73 55.38 3hrz s ARG 845 Cb -0.18 -2.10 -0.04 0.00 -1.56 0.00 0.00 34.95 31.07 3hrz s ARG 845 CO 0.23 0.36 -0.16 -0.65 -0.81 0.00 0.00 175.30 174.27 3hrz s GLN 846 N -0.12 1.15 -0.02 5.12 -0.21 -0.24 -4.99 119.66 120.35 3hrz s GLN 846 Ca -0.04 -1.33 0.01 0.00 0.02 0.00 0.00 55.36 54.03 3hrz s GLN 846 Cb -0.14 -1.12 0.01 0.00 1.00 0.00 0.00 33.01 32.76 3hrz s GLN 846 CO 0.04 0.22 -0.05 -0.65 -2.12 0.00 0.00 175.29 172.73 3hrz s GLN 847 N -2.73 0.62 -0.02 2.91 -0.21 -1.26 -1.12 119.66 117.85 3hrz s GLN 847 Ca 0.12 -0.14 -0.29 0.00 0.02 0.00 0.00 55.36 55.08 3hrz s GLN 847 Cb -0.05 -0.63 0.09 0.00 1.00 0.00 0.00 33.01 33.41 3hrz s GLN 847 CO 0.05 0.02 0.79 -0.59 -2.12 0.00 0.00 175.29 173.43 3hrz s PHE 848 N 0.42 -0.49 0.51 0.91 -0.12 -0.68 -4.97 117.98 113.56 3hrz s PHE 848 Ca -0.05 0.62 -0.19 0.00 -0.05 0.00 0.00 56.93 57.25 3hrz s PHE 848 Cb -0.09 0.48 -0.07 0.00 -0.63 0.00 0.00 43.02 42.71 3hrz s PHE 848 CO -0.00 -0.58 1.06 -2.14 -0.05 0.00 0.00 175.22 173.51 3hrz s PRO 849 N -2.18 3.64 -0.05 1.99 0.02 -1.26 -1.10 135.00 136.06 3hrz s PRO 849 Ca -0.02 1.39 0.02 0.00 0.02 0.00 0.00 61.00 62.41 3hrz s PRO 849 Cb -0.01 -2.07 0.01 0.00 0.02 0.00 0.00 34.50 32.46 3hrz s PRO 849 CO -0.01 -0.57 -0.09 0.42 -0.33 0.00 0.00 177.00 176.41 3hrz s ILE 850 N -2.00 0.89 0.81 2.83 1.01 0.13 -4.92 121.20 119.95 3hrz s ILE 850 Ca 0.68 -0.36 -0.12 0.00 0.00 0.00 0.00 60.65 60.86 3hrz s ILE 850 Cb -0.18 -0.83 0.08 0.00 0.01 0.00 0.00 42.46 41.55 3hrz s ILE 850 CO 0.24 0.29 1.13 -0.54 0.00 0.00 0.00 174.94 176.06 3hrz s LYS 851 N 0.59 1.83 0.17 2.79 -0.14 -1.26 -0.77 119.74 122.95 3hrz s LYS 851 Ca -0.11 1.43 -0.33 0.00 -1.36 0.00 0.00 55.97 55.61 3hrz s LYS 851 Cb -0.14 -1.83 -0.16 0.00 -1.68 0.00 0.00 37.83 34.03 3hrz s LYS 851 CO 0.02 -2.00 1.13 0.00 -0.76 0.00 0.00 175.35 173.74 3hrz n ALA 852 N -3.53 -0.93 -3.73 5.17 0.00 -1.21 -3.11 120.51 113.17 3hrz n ALA 852 Ca 0.11 0.46 -0.22 0.00 0.00 0.00 0.00 53.44 53.79 3hrz n ALA 852 Cb 0.52 -2.00 0.03 0.00 0.00 0.00 0.00 19.45 17.99 3hrz n ALA 852 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hrz n LEU 853 N 1.96 -3.01 -4.16 0.00 4.77 -0.60 -4.84 117.00 111.13 3hrz n LEU 853 Ca 0.15 -0.85 -0.12 0.00 -0.03 0.00 0.00 56.01 55.15 3hrz n LEU 853 Cb 0.24 -2.60 -0.08 0.00 -2.33 0.00 0.00 43.42 38.65 3hrz n LEU 853 CO 0.61 0.41 -0.11 -0.94 -1.33 0.00 0.00 177.39 176.02 3hrz s SER 854 N -4.32 0.31 0.32 -1.43 1.04 -0.84 -4.98 113.70 103.79 3hrz s SER 854 Ca 0.02 -1.34 0.10 0.00 0.48 0.00 0.00 55.95 55.22 3hrz s SER 854 Cb -0.01 0.46 -0.06 0.00 0.10 0.00 0.00 66.02 66.52 3hrz s SER 854 CO 0.82 -0.96 -0.10 -0.44 0.98 0.00 0.00 173.24 173.55 3hrz s SER 855 N -3.16 3.86 -0.14 7.02 0.01 -1.26 -0.80 113.70 119.23 3hrz s SER 855 Ca 0.35 -1.05 -0.07 0.00 1.31 0.00 0.00 55.95 56.49 3hrz s SER 855 Cb 0.04 -0.42 0.06 0.00 0.21 0.00 0.00 66.02 65.92 3hrz s SER 855 CO 0.14 -0.12 0.33 -0.60 0.41 0.00 0.00 173.24 173.40 3hrz s ARG 856 N -3.61 0.27 0.26 12.44 6.06 -0.37 -4.97 118.95 129.03 3hrz s ARG 856 Ca 0.32 0.73 -0.30 0.00 -2.50 0.00 0.00 55.73 53.99 3hrz s ARG 856 Cb -0.01 -0.01 -0.09 0.00 0.06 0.00 0.00 34.95 34.90 3hrz s ARG 856 CO 0.17 -0.20 1.28 0.00 -2.50 0.00 0.00 175.30 174.05 3hrz s ALA 857 N 1.74 3.50 -0.37 6.12 0.00 -1.26 -0.59 121.76 130.90 3hrz s ALA 857 Ca -0.06 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.04 3hrz s ALA 857 Cb -0.10 -3.46 0.12 0.00 0.00 0.00 0.00 23.12 19.68 3hrz s ALA 857 CO -0.11 -0.53 0.18 0.08 0.00 0.00 0.00 175.76 175.39 3hrz s VAL 858 N -0.51 0.93 0.33 0.00 1.01 0.12 -4.92 120.40 117.35 3hrz s VAL 858 Ca 0.52 -1.93 -0.29 0.00 0.00 0.00 0.00 61.98 60.29 3hrz s VAL 858 Cb -0.37 -1.67 -0.10 0.00 0.00 0.00 0.00 36.38 34.23 3hrz s VAL 858 CO 0.44 -0.83 1.27 -2.84 0.00 0.00 0.00 175.10 173.13 3hrz s PRO 859 N 1.00 4.37 -0.06 2.72 0.02 -1.26 -2.07 135.00 139.72 3hrz s PRO 859 Ca 0.15 2.13 0.02 0.00 0.02 0.00 0.00 61.00 63.31 3hrz s PRO 859 Cb -0.21 -3.06 0.01 0.00 0.02 0.00 0.00 34.50 31.26 3hrz s PRO 859 CO -0.10 -0.14 -0.10 -0.06 -0.33 0.00 0.00 177.00 176.27 3hrz s PHE 860 N -1.16 1.25 -0.21 6.54 0.08 0.11 -4.95 117.98 119.64 3hrz s PHE 860 Ca 0.49 -0.43 -0.09 0.00 0.12 0.00 0.00 56.93 57.02 3hrz s PHE 860 Cb -0.38 -0.94 -0.04 0.00 -0.57 0.00 0.00 43.02 41.08 3hrz s PHE 860 CO 0.50 -0.24 0.10 0.08 -0.10 0.00 0.00 175.22 175.57 3hrz s VAL 861 N 0.66 5.01 0.03 -0.44 1.01 -1.26 -0.07 120.40 125.34 3hrz s VAL 861 Ca -0.13 0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.91 3hrz s VAL 861 Cb -0.15 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 3hrz s VAL 861 CO 0.03 0.41 -0.04 0.27 0.00 0.00 0.00 175.10 175.76 3hrz s ILE 862 N 0.74 0.23 -0.24 2.22 -4.36 -0.21 -4.31 121.20 115.26 3hrz s ILE 862 Ca 0.05 -1.03 -0.02 0.00 -0.26 0.00 0.00 60.65 59.39 3hrz s ILE 862 Cb -0.13 -0.45 0.02 0.00 1.25 0.00 0.00 42.46 43.15 3hrz s ILE 862 CO 0.02 -0.51 -0.06 -0.69 0.24 0.00 0.00 174.94 173.94 3hrz s VAL 863 N -1.65 3.01 0.03 8.37 1.01 0.95 -0.82 120.40 131.31 3hrz s VAL 863 Ca -0.13 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.68 3hrz s VAL 863 Cb -0.08 -2.48 -0.06 0.00 0.00 0.00 0.00 36.38 33.76 3hrz s VAL 863 CO -0.01 0.27 1.34 -2.84 0.00 0.00 0.00 175.10 173.85 3hrz s PRO 864 N 1.37 4.33 -0.00 2.72 0.02 -1.26 0.03 135.00 142.21 3hrz s PRO 864 Ca 0.02 1.92 0.16 0.00 0.02 0.00 0.00 61.00 63.12 3hrz s PRO 864 Cb -0.16 -3.45 -0.19 0.00 0.02 0.00 0.00 34.50 30.72 3hrz s PRO 864 CO -0.04 -0.47 0.61 1.28 -0.33 0.00 0.00 177.00 178.05 3hrz n LEU 865 N 4.73 0.60 -3.98 -5.54 4.77 0.18 0.13 117.00 117.90 3hrz n LEU 865 Ca 0.12 -0.40 -0.21 0.00 -0.03 0.00 0.00 56.01 55.49 3hrz n LEU 865 Cb 0.44 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.37 3hrz n LEU 865 CO 0.58 0.15 -0.43 -1.61 -1.33 0.00 0.00 177.39 174.74 3hrz s GLU 866 N -2.63 1.02 0.75 3.23 2.02 -1.23 -4.86 118.70 117.00 3hrz s GLU 866 Ca 0.04 -0.27 -0.15 0.00 0.02 0.00 0.00 54.97 54.60 3hrz s GLU 866 Cb 0.12 -0.94 0.04 0.00 0.10 0.00 0.00 34.13 33.44 3hrz s GLU 866 CO 0.66 0.06 1.10 0.94 0.02 0.00 0.00 175.26 178.03 3hrz n GLN 867 N 3.53 0.44 0.00 1.61 7.27 -1.26 -4.78 117.38 124.18 3hrz n GLN 867 Ca -0.21 0.21 0.00 0.00 0.07 0.00 0.00 57.00 57.08 3hrz n GLN 867 Cb 0.53 -2.35 0.00 0.00 2.41 0.00 0.00 30.24 30.83 3hrz n GLN 867 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hrz n GLY 868 N 0.85 -0.25 3.38 1.69 0.00 -0.00 -4.93 105.19 105.93 3hrz n GLY 868 Ca 0.13 -2.14 -0.34 0.00 0.00 0.00 0.00 46.02 43.67 3hrz n GLY 868 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hrz s LEU 869 N 0.00 2.97 -0.01 0.99 1.43 -1.26 0.73 118.68 123.54 3hrz s LEU 869 Ca 0.00 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 3hrz s LEU 869 Cb 0.00 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.50 3hrz s LEU 869 CO 0.00 0.08 -0.03 -1.00 0.23 0.00 0.00 176.35 175.63 3hrz s HIS 870 N 0.88 0.37 0.14 0.29 3.76 -0.12 -4.89 115.29 115.73 3hrz s HIS 870 Ca -0.01 -0.06 -0.30 0.00 -0.15 0.00 0.00 55.06 54.53 3hrz s HIS 870 Cb -0.15 -0.29 -0.07 0.00 1.11 0.00 0.00 32.58 33.17 3hrz s HIS 870 CO 0.01 -0.04 1.24 -0.51 -0.85 0.00 0.00 174.74 174.59 3hrz s ASP 871 N 0.20 7.02 -0.17 1.40 1.01 -1.26 -0.30 116.67 124.57 3hrz s ASP 871 Ca -0.02 2.21 -0.08 0.00 0.71 0.00 0.00 52.55 55.38 3hrz s ASP 871 Cb -0.05 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 3hrz s ASP 871 CO -0.00 -0.46 0.09 -0.69 0.21 0.00 0.00 175.17 174.32 3hrz s VAL 872 N 0.42 5.06 -0.08 -1.27 1.01 0.93 -4.91 120.40 121.56 3hrz s VAL 872 Ca 0.56 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.61 3hrz s VAL 872 Cb -0.33 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 32.81 3hrz s VAL 872 CO 0.34 0.49 -0.06 -0.70 0.00 0.00 0.00 175.10 175.17 3hrz s GLU 873 N 0.05 1.19 -0.03 2.72 2.12 -1.26 -1.09 118.70 122.40 3hrz s GLU 873 Ca 0.07 -0.17 0.07 0.00 0.36 0.00 0.00 54.97 55.30 3hrz s GLU 873 Cb -0.12 -1.23 -0.01 0.00 0.26 0.00 0.00 34.13 33.03 3hrz s GLU 873 CO 0.00 -0.17 -0.23 0.42 -0.54 0.00 0.00 175.26 174.75 3hrz s ILE 874 N 1.34 1.84 0.04 -3.70 1.01 -0.52 -0.91 121.20 120.30 3hrz s ILE 874 Ca -0.03 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.67 3hrz s ILE 874 Cb -0.14 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.78 3hrz s ILE 874 CO -0.03 0.52 -0.09 -0.54 0.00 0.00 0.00 174.94 174.80 3hrz s LYS 875 N -0.40 0.61 0.01 2.79 1.02 -0.79 -0.93 119.74 122.06 3hrz s LYS 875 Ca 0.05 -0.66 -0.12 0.00 0.02 0.00 0.00 55.97 55.25 3hrz s LYS 875 Cb -0.10 -0.50 0.02 0.00 -0.52 0.00 0.00 37.83 36.73 3hrz s LYS 875 CO 0.00 0.11 0.26 0.00 -0.92 0.00 0.00 175.35 174.81 3hrz s ALA 876 N -1.02 -0.62 0.15 5.17 0.00 0.29 -0.82 121.76 124.92 3hrz s ALA 876 Ca -0.05 0.10 -0.09 0.00 0.00 0.00 0.00 51.96 51.92 3hrz s ALA 876 Cb -0.08 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 3hrz s ALA 876 CO 0.01 -0.29 0.27 -1.54 0.00 0.00 0.00 175.76 174.21 3hrz s SER 877 N -1.57 0.05 -0.12 0.00 1.04 -0.48 -1.32 113.70 111.30 3hrz s SER 877 Ca -0.11 -0.83 -0.02 0.00 0.48 0.00 0.00 55.95 55.47 3hrz s SER 877 Cb -0.04 0.42 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 3hrz s SER 877 CO 0.01 -0.87 -0.04 -0.69 0.98 0.00 0.00 173.24 172.63 3hrz s VAL 878 N -3.95 3.88 0.18 5.02 1.01 -0.45 -1.48 120.40 124.61 3hrz s VAL 878 Ca 0.15 -0.39 -0.31 0.00 0.00 0.00 0.00 61.98 61.44 3hrz s VAL 878 Cb 0.03 -2.65 -0.10 0.00 0.00 0.00 0.00 36.38 33.66 3hrz s VAL 878 CO -0.02 0.54 1.53 -1.58 0.00 0.00 0.00 175.10 175.57 3hrz s GLN 879 N -0.17 4.23 -1.44 2.72 0.74 -0.36 -3.07 119.66 122.32 3hrz s GLN 879 Ca 0.03 2.33 -0.10 0.00 0.05 0.00 0.00 55.36 57.66 3hrz s GLN 879 Cb -0.13 -3.15 0.05 0.00 1.10 0.00 0.00 33.01 30.88 3hrz s GLN 879 CO 0.02 -0.55 1.05 0.39 -0.55 0.00 0.00 175.29 175.65 3hrz n GLU 880 N 3.60 -6.54 -3.95 1.67 1.02 0.15 -4.84 120.64 111.75 3hrz n GLU 880 Ca 0.12 0.70 -0.09 0.00 -0.02 0.00 0.00 57.16 57.87 3hrz n GLU 880 Cb 0.39 -5.65 -0.05 0.00 -0.02 0.00 0.00 31.44 26.11 3hrz n GLU 880 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hrz s ALA 881 N -3.33 -0.41 -0.62 0.62 0.00 -1.17 -5.05 121.76 111.79 3hrz s ALA 881 Ca 0.57 -0.74 0.25 0.00 0.00 0.00 0.00 51.96 52.03 3hrz s ALA 881 Cb -0.27 1.01 0.55 0.00 0.00 0.00 0.00 23.12 24.41 3hrz s ALA 881 CO 0.78 -0.85 1.58 -0.07 0.00 0.00 0.00 175.76 177.21 3hrz h LEU 882 N 2.24 0.00 -9.63 0.00 3.38 -1.93 -3.44 115.31 105.93 3hrz h LEU 882 Ca -0.26 -0.05 -0.53 0.00 0.09 0.00 0.00 57.88 57.13 3hrz h LEU 882 Cb 1.25 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.03 3hrz h LEU 882 CO 0.35 0.03 0.64 0.26 0.09 0.00 0.00 178.44 179.81 3hrz s TRP 883 N -3.16 3.29 0.11 1.13 0.51 -1.26 -4.92 118.94 114.65 3hrz s TRP 883 Ca 0.08 1.21 -0.19 0.00 -2.12 0.00 0.00 56.10 55.07 3hrz s TRP 883 Cb 0.11 -3.58 0.05 0.00 -0.81 0.00 0.00 33.47 29.24 3hrz s TRP 883 CO 0.65 -1.83 0.47 -1.54 -0.51 0.00 0.00 176.95 174.20 3hrz s SER 884 N 0.52 -0.36 -0.05 2.95 1.04 -1.26 -1.34 113.70 115.20 3hrz s SER 884 Ca 0.58 -0.11 -0.21 0.00 0.48 0.00 0.00 55.95 56.70 3hrz s SER 884 Cb -0.35 0.50 0.04 0.00 0.10 0.00 0.00 66.02 66.31 3hrz s SER 884 CO 0.36 -0.83 0.46 -0.62 0.98 0.00 0.00 173.24 173.59 3hrz s ASP 885 N -2.53 -0.39 0.02 7.02 2.15 -0.44 -4.89 116.67 117.61 3hrz s ASP 885 Ca -0.00 0.42 0.01 0.00 0.43 0.00 0.00 52.55 53.41 3hrz s ASP 885 Cb 0.00 0.48 -0.02 0.00 -0.30 0.00 0.00 42.92 43.09 3hrz s ASP 885 CO -0.09 -0.47 -0.05 -0.83 -0.17 0.00 0.00 175.17 173.56 3hrz s GLY 886 N -1.08 0.34 -0.04 2.66 0.00 -1.26 -0.55 107.32 107.40 3hrz s GLY 886 Ca -0.11 -0.52 0.02 0.00 0.00 0.00 0.00 44.72 44.11 3hrz s GLY 886 CO 0.06 -0.55 -0.08 0.14 0.00 0.00 0.00 173.10 172.67 3hrz s VAL 887 N -0.96 0.73 -0.17 1.40 1.01 -0.10 0.00 120.40 122.31 3hrz s VAL 887 Ca -0.07 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.62 3hrz s VAL 887 Cb -0.07 -0.68 0.03 0.00 0.00 0.00 0.00 36.38 35.65 3hrz s VAL 887 CO -0.00 0.25 -0.16 -0.60 0.00 0.00 0.00 175.10 174.59 3hrz s ARG 888 N 0.49 2.55 0.06 2.72 3.52 -0.13 -1.44 118.95 126.73 3hrz s ARG 888 Ca -0.08 -0.75 0.04 0.00 -0.13 0.00 0.00 55.73 54.81 3hrz s ARG 888 Cb -0.11 -2.39 -0.03 0.00 -1.56 0.00 0.00 34.95 30.86 3hrz s ARG 888 CO 0.01 -0.27 -0.12 0.15 -0.81 0.00 0.00 175.30 174.26 3hrz s LYS 889 N 1.37 0.72 0.01 5.12 1.02 -0.25 -4.44 119.74 123.29 3hrz s LYS 889 Ca 0.03 -0.89 -0.26 0.00 0.02 0.00 0.00 55.97 54.87 3hrz s LYS 889 Cb -0.14 -0.64 -0.04 0.00 -0.52 0.00 0.00 37.83 36.49 3hrz s LYS 889 CO -0.11 0.14 0.83 0.15 -0.92 0.00 0.00 175.35 175.43 3hrz s LYS 890 N -1.69 4.52 -0.18 1.68 1.02 -1.26 -0.05 119.74 123.77 3hrz s LYS 890 Ca -0.05 1.15 -0.06 0.00 0.02 0.00 0.00 55.97 57.03 3hrz s LYS 890 Cb -0.10 -3.42 -0.03 0.00 -0.52 0.00 0.00 37.83 33.76 3hrz s LYS 890 CO 0.02 0.12 0.03 -1.17 -0.92 0.00 0.00 175.35 173.42 3hrz s LEU 891 N 0.49 3.56 -0.28 3.17 2.96 0.60 -4.89 118.68 124.28 3hrz s LEU 891 Ca 0.43 -0.03 -0.17 0.00 -0.22 0.00 0.00 54.13 54.14 3hrz s LEU 891 Cb -0.20 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 3hrz s LEU 891 CO 0.24 0.14 0.46 -0.75 -1.32 0.00 0.00 176.35 175.12 3hrz s LYS 892 N 0.54 3.97 -0.22 1.98 2.20 -1.26 -0.94 119.74 126.00 3hrz s LYS 892 Ca 0.01 0.14 -0.03 0.00 -0.36 0.00 0.00 55.97 55.73 3hrz s LYS 892 Cb -0.13 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.51 3hrz s LYS 892 CO 0.02 -0.38 -0.07 0.08 -0.36 0.00 0.00 175.35 174.64 3hrz s VAL 893 N 2.24 3.05 0.15 4.02 1.01 0.22 -0.62 120.40 130.48 3hrz s VAL 893 Ca 0.19 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.51 3hrz s VAL 893 Cb -0.16 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 3hrz s VAL 893 CO 0.10 0.39 0.24 0.68 0.00 0.00 0.00 175.10 176.51 3hrz s VAL 894 N 1.41 5.07 1.01 2.92 -7.23 0.25 -0.82 120.40 123.00 3hrz s VAL 894 Ca 0.04 -0.80 -0.11 0.00 -1.81 0.00 0.00 61.98 59.30 3hrz s VAL 894 Cb -0.15 -3.60 0.18 0.00 0.56 0.00 0.00 36.38 33.37 3hrz s VAL 894 CO -0.05 -0.09 1.00 -2.65 -0.31 0.00 0.00 175.10 172.99 3hrz n PRO 895 N -0.48 -1.08 -1.85 4.82 -0.02 -1.26 -0.97 135.00 134.17 3hrz n PRO 895 Ca -0.07 -0.26 -0.29 0.00 -2.02 0.00 0.00 63.50 60.85 3hrz n PRO 895 Cb 0.54 -2.24 0.09 0.00 -0.02 0.00 0.00 33.50 31.87 3hrz n PRO 895 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3hrz s GLU 896 N -4.43 1.94 1.54 -0.52 1.03 -1.26 -4.56 118.70 112.44 3hrz s GLU 896 Ca 0.66 0.18 0.00 0.00 0.03 0.00 0.00 54.97 55.84 3hrz s GLU 896 Cb -0.23 -1.94 0.00 0.00 -0.80 0.00 0.00 34.13 31.16 3hrz s GLU 896 CO 0.61 -1.62 0.00 0.41 -1.33 0.00 0.00 175.26 173.33 3hrz n GLY 897 N -3.13 -1.19 3.14 -3.83 0.00 -1.26 -4.92 105.19 94.00 3hrz n GLY 897 Ca 0.08 -1.48 -0.22 0.00 0.00 0.00 0.00 46.02 44.40 3hrz n GLY 897 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hrz s VAL 898 N 0.00 1.18 -0.26 1.61 1.01 -1.26 -5.10 120.40 117.57 3hrz s VAL 898 Ca 0.00 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 60.83 3hrz s VAL 898 Cb 0.00 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.36 3hrz s VAL 898 CO 0.00 0.16 1.09 -1.58 0.00 0.00 0.00 175.10 174.77 3hrz s GLN 899 N -0.80 4.16 0.33 2.72 0.74 -1.26 -5.02 119.66 120.53 3hrz s GLN 899 Ca 0.04 1.27 0.08 0.00 0.05 0.00 0.00 55.36 56.80 3hrz s GLN 899 Cb -0.07 -3.71 -0.04 0.00 1.10 0.00 0.00 33.01 30.30 3hrz s GLN 899 CO 0.01 -0.78 0.16 0.15 -0.55 0.00 0.00 175.29 174.27 3hrz s LYS 900 N 3.47 2.43 -0.04 1.67 1.02 -1.26 -5.14 119.74 121.89 3hrz s LYS 900 Ca 0.46 -1.50 0.03 0.00 0.02 0.00 0.00 55.97 54.98 3hrz s LYS 900 Cb -0.15 -2.22 0.01 0.00 -0.52 0.00 0.00 37.83 34.95 3hrz s LYS 900 CO 0.12 0.13 -0.11 -1.54 -0.92 0.00 0.00 175.35 173.03 3hrz s SER 901 N -3.86 1.51 -0.20 2.83 1.04 -1.26 -5.12 113.70 108.65 3hrz s SER 901 Ca 0.38 -0.24 -0.12 0.00 0.48 0.00 0.00 55.95 56.44 3hrz s SER 901 Cb -0.03 -0.55 -0.05 0.00 0.10 0.00 0.00 66.02 65.49 3hrz s SER 901 CO 0.23 0.05 0.24 -0.63 0.98 0.00 0.00 173.24 174.11 3hrz s ILE 902 N 0.42 5.33 -0.25 -1.02 1.01 -1.26 -5.07 121.20 120.35 3hrz s ILE 902 Ca -0.08 0.40 -0.03 0.00 0.00 0.00 0.00 60.65 60.93 3hrz s ILE 902 Cb -0.12 -3.58 0.01 0.00 0.01 0.00 0.00 42.46 38.78 3hrz s ILE 902 CO 0.02 0.36 -0.03 -0.69 0.00 0.00 0.00 174.94 174.60 3hrz s VAL 903 N 0.74 3.22 -0.22 2.92 1.01 -1.26 -5.08 120.40 121.73 3hrz s VAL 903 Ca 0.13 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 3hrz s VAL 903 Cb -0.13 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.67 3hrz s VAL 903 CO 0.03 0.25 -0.07 -0.89 0.00 0.00 0.00 175.10 174.42 3hrz s THR 904 N 1.40 3.09 -0.26 3.92 2.01 -1.26 -5.10 115.64 119.45 3hrz s THR 904 Ca 0.02 -0.66 -0.09 0.00 0.31 0.00 0.00 61.69 61.28 3hrz s THR 904 Cb -0.16 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 3hrz s THR 904 CO -0.03 0.40 0.12 -0.63 -0.69 0.00 0.00 174.62 173.79 3hrz s ILE 905 N 1.42 4.73 -0.13 1.82 -1.09 -1.26 -5.08 121.20 121.61 3hrz s ILE 905 Ca 0.05 -0.03 0.01 0.00 -2.23 0.00 0.00 60.65 58.45 3hrz s ILE 905 Cb -0.14 -3.23 -0.01 0.00 -1.58 0.00 0.00 42.46 37.50 3hrz s ILE 905 CO -0.05 0.30 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.11 3hrz s VAL 906 N 1.68 2.75 -0.30 2.92 1.01 -1.26 -5.10 120.40 122.09 3hrz s VAL 906 Ca 0.07 -0.76 -0.21 0.00 0.00 0.00 0.00 61.98 61.08 3hrz s VAL 906 Cb -0.15 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 3hrz s VAL 906 CO 0.07 0.53 0.64 -0.54 0.00 0.00 0.00 175.10 175.80 3hrz s LYS 907 N 0.47 3.93 -0.24 2.72 -0.14 -1.26 -5.04 119.74 120.18 3hrz s LYS 907 Ca -0.11 0.35 -0.20 0.00 -1.36 0.00 0.00 55.97 54.65 3hrz s LYS 907 Cb -0.16 -3.72 -0.02 0.00 -1.68 0.00 0.00 37.83 32.25 3hrz s LYS 907 CO 0.05 -0.56 0.59 -0.51 -0.76 0.00 0.00 175.35 174.16 3hrz s LEU 908 N 2.63 4.08 -0.48 3.17 1.43 -1.26 -4.96 118.68 123.29 3hrz s LEU 908 Ca 0.26 0.68 0.05 0.00 -1.03 0.00 0.00 54.13 54.09 3hrz s LEU 908 Cb -0.15 -2.80 0.21 0.00 0.03 0.00 0.00 46.19 43.48 3hrz s LEU 908 CO 0.11 -0.32 0.84 -0.67 0.23 0.00 0.00 176.35 176.55 3hrz n ASP 909 N 5.49 -2.98 -0.13 2.29 2.03 -1.26 -5.04 116.55 116.95 3hrz n ASP 909 Ca -0.02 -2.78 0.07 0.00 0.52 0.00 0.00 54.79 52.58 3hrz n ASP 909 Cb 0.49 1.62 0.40 0.00 -0.72 0.00 0.00 41.12 42.92 3hrz n ASP 909 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3hrz h PRO 910 N 4.51 0.63 -0.97 -0.67 0.11 -1.93 0.14 132.00 133.82 3hrz h PRO 910 Ca -0.03 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.05 3hrz h PRO 910 Cb 1.10 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 32.02 3hrz h PRO 910 CO 0.09 0.41 0.65 -0.09 -0.21 0.00 0.00 178.00 178.85 3hrz h ARG 911 N 0.65 1.28 0.00 1.05 9.65 -1.93 0.18 114.38 125.25 3hrz h ARG 911 Ca 0.28 -0.08 -0.03 0.00 -1.10 0.00 0.00 59.98 59.05 3hrz h ARG 911 Cb 0.26 -0.29 -0.00 0.00 -1.39 0.00 0.00 29.97 28.55 3hrz h ARG 911 CO -0.08 0.85 -1.89 0.00 2.80 0.00 0.00 179.97 181.65 3hrz n ALA 912 N -2.39 2.68 0.00 2.80 0.00 -0.65 -4.64 120.51 118.30 3hrz n ALA 912 Ca 0.11 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3hrz n ALA 912 Cb 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3hrz n ALA 912 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hrz n LYS 913 N -2.36 4.95 -0.83 0.00 5.02 0.40 -5.08 118.16 120.27 3hrz n LYS 913 Ca -0.05 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.20 3hrz n LYS 913 Cb 0.61 -0.54 0.02 0.00 -0.02 0.00 0.00 35.03 35.09 3hrz n LYS 913 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hrz n GLY 914 N 1.16 0.58 0.00 0.72 0.00 0.05 -4.85 105.19 102.84 3hrz n GLY 914 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.08 3hrz n GLY 914 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hrz n VAL 915 N -1.64 0.00 -2.78 1.61 0.31 0.12 -4.72 118.33 111.23 3hrz n VAL 915 Ca 0.02 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.95 3hrz n VAL 915 Cb 0.08 -0.57 0.01 0.00 -0.91 0.00 0.00 33.84 32.45 3hrz n VAL 915 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hrz n GLY 916 N 2.82 5.81 2.41 2.92 0.00 -1.26 -4.64 105.19 113.24 3hrz n GLY 916 Ca 0.00 -2.63 -0.06 0.00 0.00 0.00 0.00 46.02 43.33 3hrz n GLY 916 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrz n GLY 917 N 0.33 0.79 3.12 -0.02 0.00 -1.26 -5.00 105.19 103.15 3hrz n GLY 917 Ca 0.40 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 3hrz n GLY 917 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hrz s THR 918 N -2.00 1.69 -0.12 2.61 2.01 -1.26 -4.75 115.64 113.81 3hrz s THR 918 Ca 0.00 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.23 3hrz s THR 918 Cb 0.00 -1.50 -0.01 0.00 0.01 0.00 0.00 72.50 71.00 3hrz s THR 918 CO 0.00 0.48 -0.16 -1.58 -0.69 0.00 0.00 174.62 172.67 3hrz s GLN 919 N 0.68 3.29 -0.18 4.92 0.74 -1.26 0.15 119.66 128.01 3hrz s GLN 919 Ca -0.12 -0.74 0.01 0.00 0.05 0.00 0.00 55.36 54.56 3hrz s GLN 919 Cb -0.16 -2.55 0.01 0.00 1.10 0.00 0.00 33.01 31.41 3hrz s GLN 919 CO 0.03 0.19 -0.18 -1.17 -0.55 0.00 0.00 175.29 173.61 3hrz s LEU 920 N 0.39 2.24 -0.07 3.68 2.96 -1.26 -5.04 118.68 121.58 3hrz s LEU 920 Ca -0.12 -0.60 0.05 0.00 -0.22 0.00 0.00 54.13 53.24 3hrz s LEU 920 Cb -0.16 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 3hrz s LEU 920 CO 0.06 0.02 -0.24 -1.61 -1.32 0.00 0.00 176.35 173.26 3hrz s GLU 921 N 1.20 2.67 -0.26 1.98 0.41 -1.26 -5.11 118.70 118.33 3hrz s GLU 921 Ca 0.02 -0.86 -0.02 0.00 -0.41 0.00 0.00 54.97 53.70 3hrz s GLU 921 Cb -0.14 -2.15 0.03 0.00 -1.78 0.00 0.00 34.13 30.09 3hrz s GLU 921 CO -0.09 0.28 -0.04 0.08 -0.49 0.00 0.00 175.26 175.00 3hrz s VAL 922 N 0.08 2.99 -0.35 2.63 1.01 -1.26 -5.08 120.40 120.41 3hrz s VAL 922 Ca -0.10 -1.07 -0.18 0.00 0.00 0.00 0.00 61.98 60.63 3hrz s VAL 922 Cb -0.15 -2.56 -0.00 0.00 0.00 0.00 0.00 36.38 33.66 3hrz s VAL 922 CO 0.06 0.13 0.51 -0.63 0.00 0.00 0.00 175.10 175.17 3hrz s ILE 923 N 1.32 5.01 0.62 2.22 1.09 -1.26 -5.05 121.20 125.16 3hrz s ILE 923 Ca -0.01 0.33 -0.15 0.00 -1.10 0.00 0.00 60.65 59.72 3hrz s ILE 923 Cb -0.17 -3.97 -0.02 0.00 -1.06 0.00 0.00 42.46 37.24 3hrz s ILE 923 CO -0.03 -0.22 1.08 -0.54 -0.10 0.00 0.00 174.94 175.13 3hrz s LYS 924 N 2.39 3.10 0.09 2.79 1.02 -1.26 -4.93 119.74 122.93 3hrz s LYS 924 Ca 0.19 1.28 -0.35 0.00 0.02 0.00 0.00 55.97 57.11 3hrz s LYS 924 Cb -0.15 -2.00 -0.19 0.00 -0.52 0.00 0.00 37.83 34.97 3hrz s LYS 924 CO 0.13 -1.00 0.85 0.00 -0.92 0.00 0.00 175.35 174.42 3hrz n ALA 925 N -2.20 -3.26 -1.80 5.17 0.00 -1.26 -4.87 120.51 112.28 3hrz n ALA 925 Ca 0.09 0.53 -0.34 0.00 0.00 0.00 0.00 53.44 53.72 3hrz n ALA 925 Cb 0.52 -1.71 -0.04 0.00 0.00 0.00 0.00 19.45 18.23 3hrz n ALA 925 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hrz s ARG 926 N -0.41 3.91 -0.41 0.00 3.00 -1.26 -4.98 118.95 118.80 3hrz s ARG 926 Ca 0.80 1.34 -0.28 0.00 0.00 0.00 0.00 55.73 57.58 3hrz s ARG 926 Cb -1.12 -2.16 0.02 0.00 0.00 0.00 0.00 34.95 31.69 3hrz s ARG 926 CO 0.56 -0.33 1.08 0.15 0.00 0.00 0.00 175.30 176.76 3hrz s LYS 927 N -3.13 3.84 0.00 3.54 1.02 -1.26 -4.93 119.74 118.81 3hrz s LYS 927 Ca 0.65 0.71 0.00 0.00 0.02 0.00 0.00 55.97 57.35 3hrz s LYS 927 Cb -0.16 -3.84 0.00 0.00 -0.52 0.00 0.00 37.83 33.31 3hrz s LYS 927 CO 0.20 -1.15 0.00 1.28 -0.92 0.00 0.00 175.35 174.75 3hrz n LEU 928 N 7.33 0.00 -2.09 3.17 4.77 -1.26 -4.97 117.00 123.96 3hrz n LEU 928 Ca 0.11 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.89 3hrz n LEU 928 Cb 0.48 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 3hrz n LEU 928 CO 0.65 0.00 -0.23 0.47 -1.33 0.00 0.00 177.39 176.95 3hrz n ASP 929 N 0.00 -5.53 -1.54 -1.43 8.00 -1.26 -4.64 116.55 110.15 3hrz n ASP 929 Ca 0.00 0.19 0.06 0.00 0.71 0.00 0.00 54.79 55.75 3hrz n ASP 929 Cb 0.00 -4.72 0.32 0.00 -0.02 0.00 0.00 41.12 36.69 3hrz n ASP 929 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3hrz n ASP 930 N -1.71 4.57 -4.79 -2.24 5.75 -1.26 -5.01 116.55 111.84 3hrz n ASP 930 Ca -0.22 -2.64 -0.39 0.00 -0.01 0.00 0.00 54.79 51.53 3hrz n ASP 930 Cb 0.67 -0.62 -0.06 0.00 -1.03 0.00 0.00 41.12 40.09 3hrz n ASP 930 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 3hrz s ARG 931 N -2.25 4.29 0.09 0.11 3.52 -1.26 -5.01 118.95 118.44 3hrz s ARG 931 Ca 0.43 0.82 -0.31 0.00 -0.13 0.00 0.00 55.73 56.54 3hrz s ARG 931 Cb 0.31 -3.27 -0.10 0.00 -1.56 0.00 0.00 34.95 30.34 3hrz s ARG 931 CO 0.15 0.57 1.86 0.08 -0.81 0.00 0.00 175.30 177.14 3hrz s VAL 932 N -0.91 2.73 0.24 7.11 1.01 -1.26 -4.89 120.40 124.44 3hrz s VAL 932 Ca 0.31 0.08 -0.31 0.00 0.00 0.00 0.00 61.98 62.06 3hrz s VAL 932 Cb -0.20 -3.05 -0.13 0.00 0.00 0.00 0.00 36.38 33.00 3hrz s VAL 932 CO 0.20 -0.00 1.40 -2.65 0.00 0.00 0.00 175.10 174.05 3hrz n PRO 933 N 6.27 2.04 -1.30 2.72 -0.02 -1.26 -2.63 135.00 140.82 3hrz n PRO 933 Ca 0.18 0.72 -0.10 0.00 -2.02 0.00 0.00 63.50 62.28 3hrz n PRO 933 Cb 0.39 -2.38 -0.04 0.00 -0.02 0.00 0.00 33.50 31.45 3hrz n PRO 933 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3hrz n ASP 934 N 2.11 -4.33 -4.92 2.55 2.03 -1.26 -5.01 116.55 107.72 3hrz n ASP 934 Ca 0.11 0.26 -0.29 0.00 0.52 0.00 0.00 54.79 55.39 3hrz n ASP 934 Cb 0.32 -2.74 -0.04 0.00 -0.72 0.00 0.00 41.12 37.94 3hrz n ASP 934 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3hrz s THR 935 N -2.36 5.20 0.68 5.18 -4.23 -1.08 -5.08 115.64 113.95 3hrz s THR 935 Ca 0.00 -0.24 -0.12 0.00 -1.18 0.00 0.00 61.69 60.15 3hrz s THR 935 Cb 0.00 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 70.14 3hrz s THR 935 CO 0.00 -0.11 1.07 -1.61 -0.54 0.00 0.00 174.62 173.43 3hrz s GLU 936 N -3.12 2.94 -0.04 3.99 2.02 -1.26 -5.02 118.70 118.21 3hrz s GLU 936 Ca 0.39 1.06 0.01 0.00 0.02 0.00 0.00 54.97 56.46 3hrz s GLU 936 Cb -0.11 -1.99 0.02 0.00 0.10 0.00 0.00 34.13 32.15 3hrz s GLU 936 CO 0.28 -1.11 -0.05 0.42 0.02 0.00 0.00 175.26 174.82 3hrz s ILE 937 N -2.85 0.54 -0.08 -1.63 1.01 -1.26 -5.13 121.20 111.81 3hrz s ILE 937 Ca 0.60 -0.16 0.02 0.00 0.00 0.00 0.00 60.65 61.12 3hrz s ILE 937 Cb -0.15 -0.54 0.01 0.00 0.01 0.00 0.00 42.46 41.79 3hrz s ILE 937 CO 0.50 0.21 -0.13 -0.70 0.00 0.00 0.00 174.94 174.83 3hrz s GLU 938 N 0.71 1.80 -0.18 2.79 2.12 -1.26 -5.12 118.70 119.55 3hrz s GLU 938 Ca -0.09 -0.43 -0.07 0.00 0.36 0.00 0.00 54.97 54.73 3hrz s GLU 938 Cb -0.13 -1.51 -0.04 0.00 0.26 0.00 0.00 34.13 32.71 3hrz s GLU 938 CO 0.00 -0.00 0.05 0.99 -0.54 0.00 0.00 175.26 175.75 3hrz s THR 939 N 0.78 4.59 -0.15 -1.70 2.01 -1.26 -5.10 115.64 114.82 3hrz s THR 939 Ca -0.12 -0.10 -0.04 0.00 0.31 0.00 0.00 61.69 61.74 3hrz s THR 939 Cb -0.15 -3.07 -0.03 0.00 0.01 0.00 0.00 72.50 69.26 3hrz s THR 939 CO 0.02 0.45 -0.03 -0.54 -0.69 0.00 0.00 174.62 173.84 3hrz s LYS 940 N 0.49 3.67 -0.31 4.92 1.02 -1.26 -5.08 119.74 123.18 3hrz s LYS 940 Ca 0.02 -0.50 -0.05 0.00 0.02 0.00 0.00 55.97 55.45 3hrz s LYS 940 Cb -0.13 -2.93 0.03 0.00 -0.52 0.00 0.00 37.83 34.28 3hrz s LYS 940 CO 0.01 0.27 0.06 0.42 -0.92 0.00 0.00 175.35 175.19 3hrz s ILE 941 N 0.30 3.60 -0.16 2.17 1.01 -1.26 -5.08 121.20 121.77 3hrz s ILE 941 Ca -0.03 -1.05 -0.03 0.00 0.00 0.00 0.00 60.65 59.54 3hrz s ILE 941 Cb -0.14 -2.97 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 3hrz s ILE 941 CO 0.03 -0.06 -0.06 -0.63 0.00 0.00 0.00 174.94 174.22 3hrz s ILE 942 N 1.39 3.54 -0.20 2.92 1.01 -1.26 -5.10 121.20 123.50 3hrz s ILE 942 Ca -0.01 -0.47 -0.04 0.00 0.00 0.00 0.00 60.65 60.13 3hrz s ILE 942 Cb -0.19 -2.55 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 3hrz s ILE 942 CO 0.01 0.48 -0.02 -0.63 0.00 0.00 0.00 174.94 174.78 3hrz s ILE 943 N 0.61 3.71 -0.15 2.92 -1.09 -1.26 -5.09 121.20 120.85 3hrz s ILE 943 Ca -0.04 -0.39 0.00 0.00 -2.23 0.00 0.00 60.65 57.99 3hrz s ILE 943 Cb -0.15 -2.67 0.03 0.00 -1.58 0.00 0.00 42.46 38.09 3hrz s ILE 943 CO 0.03 0.43 -0.12 -1.10 -1.23 0.00 0.00 174.94 172.95 3hrz s GLN 944 N 1.10 2.05 0.52 2.79 -0.21 -1.26 -5.11 119.66 119.53 3hrz s GLN 944 Ca 0.02 -0.55 -0.21 0.00 0.02 0.00 0.00 55.36 54.64 3hrz s GLN 944 Cb -0.14 -2.05 -0.06 0.00 1.00 0.00 0.00 33.01 31.75 3hrz s GLN 944 CO 0.01 -0.29 1.21 0.20 -2.12 0.00 0.00 175.29 174.30 3hrz s GLY 945 N 1.52 2.77 -0.08 3.09 0.00 -1.26 -5.01 107.32 108.36 3hrz s GLY 945 Ca 0.04 1.02 -0.17 0.00 0.00 0.00 0.00 44.72 45.60 3hrz s GLY 945 CO -0.10 1.46 0.46 0.99 0.00 0.00 0.00 173.10 175.91 3hrz s ASP 946 N -1.39 6.72 0.00 1.64 1.11 -1.26 -5.27 116.67 118.23 3hrz s ASP 946 Ca 0.70 0.86 0.00 0.00 0.18 0.00 0.00 52.55 54.29 3hrz s ASP 946 Cb -0.31 -2.28 0.00 0.00 1.07 0.00 0.00 42.92 41.40 3hrz s ASP 946 CO 0.36 0.09 0.00 -2.65 1.18 0.00 0.00 175.17 174.15