#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hs0 n GLY 716 N 0.00 2.98 3.91 6.12 0.00 -1.26 -4.97 105.19 111.96 3hs0 n GLY 716 Ca 0.00 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 3hs0 n GLY 716 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hs0 s PHE 717 N -2.70 3.40 0.09 1.61 0.08 -1.26 -1.53 117.98 117.66 3hs0 s PHE 717 Ca 0.00 0.80 -0.30 0.00 0.12 0.00 0.00 56.93 57.55 3hs0 s PHE 717 Cb 0.00 -2.63 -0.05 0.00 -0.57 0.00 0.00 43.02 39.76 3hs0 s PHE 717 CO 0.00 -0.67 1.00 0.42 -0.10 0.00 0.00 175.22 175.86 3hs0 s ILE 718 N -2.97 4.49 0.19 0.64 -1.09 -1.26 -4.98 121.20 116.23 3hs0 s ILE 718 Ca 0.52 1.97 -0.32 0.00 -2.23 0.00 0.00 60.65 60.60 3hs0 s ILE 718 Cb -0.11 -4.26 -0.11 0.00 -1.58 0.00 0.00 42.46 36.40 3hs0 s ILE 718 CO 0.47 0.26 1.66 0.00 -1.23 0.00 0.00 174.94 176.09 3hs0 s ALA 719 N 0.31 3.87 0.22 9.38 0.00 -1.26 -4.90 121.76 129.39 3hs0 s ALA 719 Ca 0.49 1.51 -0.16 0.00 0.00 0.00 0.00 51.96 53.80 3hs0 s ALA 719 Cb -0.24 -3.67 0.25 0.00 0.00 0.00 0.00 23.12 19.46 3hs0 s ALA 719 CO 0.30 -0.87 1.57 0.22 0.00 0.00 0.00 175.76 176.98 3hs0 h ASP 720 N 6.73 -1.17 -0.14 0.00 3.58 -1.95 0.34 116.42 123.81 3hs0 h ASP 720 Ca -0.43 0.27 0.04 0.00 0.42 0.00 0.00 57.03 57.33 3hs0 h ASP 720 Cb 1.20 0.64 -0.01 0.00 1.72 0.00 0.00 39.33 42.89 3hs0 h ASP 720 CO 0.94 -0.29 0.30 0.77 -2.88 0.00 0.00 179.24 178.08 3hs0 h SER 721 N -0.05 0.00 1.81 2.28 4.64 -2.05 0.29 113.55 120.47 3hs0 h SER 721 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3hs0 h SER 721 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3hs0 h SER 721 CO -0.87 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 175.53 3hs0 h ASP 722 N 0.00 0.00 -3.56 4.97 3.32 -0.66 -3.43 116.42 117.06 3hs0 h ASP 722 Ca 0.07 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.50 3hs0 h ASP 722 Cb 0.67 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.10 3hs0 h ASP 722 CO -0.00 0.00 0.33 -0.63 -1.72 0.00 0.00 179.24 177.22 3hs0 s ILE 723 N -3.25 4.73 -0.32 0.35 1.01 0.10 -5.03 121.20 118.79 3hs0 s ILE 723 Ca 0.07 0.70 -0.16 0.00 0.00 0.00 0.00 60.65 61.26 3hs0 s ILE 723 Cb 0.06 -4.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.29 3hs0 s ILE 723 CO 0.64 -0.50 0.42 -0.63 0.00 0.00 0.00 174.94 174.87 3hs0 s ILE 724 N 3.10 5.12 0.36 2.92 1.01 -1.26 -4.97 121.20 127.48 3hs0 s ILE 724 Ca 0.30 0.33 -0.27 0.00 0.00 0.00 0.00 60.65 61.01 3hs0 s ILE 724 Cb -0.13 -3.83 -0.09 0.00 0.01 0.00 0.00 42.46 38.42 3hs0 s ILE 724 CO 0.18 -0.05 1.17 -0.44 0.00 0.00 0.00 174.94 175.81 3hs0 s SER 725 N 1.70 6.77 0.21 3.58 0.01 -1.26 -4.41 113.70 120.30 3hs0 s SER 725 Ca 0.15 2.38 -0.27 0.00 1.31 0.00 0.00 55.95 59.53 3hs0 s SER 725 Cb -0.16 -2.62 -0.09 0.00 0.21 0.00 0.00 66.02 63.36 3hs0 s SER 725 CO 0.11 -0.51 0.85 -0.13 0.41 0.00 0.00 173.24 173.97 3hs0 s ARG 726 N -2.00 4.66 0.00 12.44 0.52 0.41 -4.86 118.95 130.13 3hs0 s ARG 726 Ca 0.52 1.28 0.00 0.00 -0.52 0.00 0.00 55.73 57.01 3hs0 s ARG 726 Cb -0.32 -3.21 0.00 0.00 0.52 0.00 0.00 34.95 31.93 3hs0 s ARG 726 CO 0.42 0.52 0.00 -1.13 0.02 0.00 0.00 175.30 175.13 3hs0 n SER 727 N 1.43 0.00 -4.47 0.23 3.41 -1.26 -1.21 113.62 111.75 3hs0 n SER 727 Ca -0.04 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.14 3hs0 n SER 727 Cb 0.48 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.42 3hs0 n SER 727 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hs0 s ASP 728 N -0.15 6.81 -0.79 4.04 2.15 -1.26 -4.91 116.67 122.57 3hs0 s ASP 728 Ca 0.00 -2.41 0.02 0.00 0.43 0.00 0.00 52.55 50.59 3hs0 s ASP 728 Cb 0.00 -2.42 0.23 0.00 -0.30 0.00 0.00 42.92 40.43 3hs0 s ASP 728 CO 0.00 -0.97 0.80 0.49 -0.17 0.00 0.00 175.17 175.32 3hs0 n PHE 729 N 6.44 3.55 -2.73 -5.34 3.72 -1.26 -2.15 117.46 119.70 3hs0 n PHE 729 Ca 0.31 -3.98 -0.38 0.00 -0.05 0.00 0.00 57.45 53.35 3hs0 n PHE 729 Cb 0.46 -0.83 -0.06 0.00 -0.94 0.00 0.00 39.48 38.12 3hs0 n PHE 729 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3hs0 s PRO 730 N -2.00 4.59 0.21 -1.08 0.05 -1.26 -4.95 135.00 130.55 3hs0 s PRO 730 Ca 0.32 1.41 0.08 0.00 0.05 0.00 0.00 61.00 62.86 3hs0 s PRO 730 Cb 0.03 -2.88 0.12 0.00 0.05 0.00 0.00 34.50 31.82 3hs0 s PRO 730 CO -0.06 0.27 1.47 0.87 0.05 0.00 0.00 177.00 179.59 3hs0 h LYS 731 N 3.31 0.05 -3.47 4.56 1.57 -2.05 -3.46 116.57 117.09 3hs0 h LYS 731 Ca -0.47 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.11 3hs0 h LYS 731 Cb 1.20 0.01 -0.21 0.00 0.08 0.00 0.00 32.23 33.31 3hs0 h LYS 731 CO 0.65 0.80 -0.48 -1.54 -0.57 0.00 0.00 179.45 178.31 3hs0 s SER 732 N -6.83 -0.00 0.05 0.86 1.04 -1.26 -5.11 113.70 102.44 3hs0 s SER 732 Ca -0.01 -0.14 -0.02 0.00 0.48 0.00 0.00 55.95 56.26 3hs0 s SER 732 Cb 0.11 0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.47 3hs0 s SER 732 CO 0.79 -0.34 0.10 -2.67 0.98 0.00 0.00 173.24 172.11 3hs0 n TRP 733 N 1.59 -1.13 -2.82 5.02 4.27 -1.26 -4.98 117.44 118.13 3hs0 n TRP 733 Ca -0.22 -0.23 -0.21 0.00 -3.89 0.00 0.00 57.50 52.95 3hs0 n TRP 733 Cb 0.56 0.12 0.01 0.00 -1.36 0.00 0.00 31.31 30.64 3hs0 n TRP 733 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 3hs0 n LEU 734 N 0.00 -2.08 -4.29 5.67 7.94 -1.26 -4.86 117.00 118.12 3hs0 n LEU 734 Ca -0.01 -0.16 -0.36 0.00 -1.11 0.00 0.00 56.01 54.37 3hs0 n LEU 734 Cb 0.08 -2.72 -0.04 0.00 0.53 0.00 0.00 43.42 41.27 3hs0 n LEU 734 CO 0.04 0.05 1.84 1.87 -1.11 0.00 0.00 177.39 180.07 3hs0 n TRP 735 N -4.12 2.98 -4.40 1.96 -0.00 -1.26 -4.89 117.44 107.71 3hs0 n TRP 735 Ca -0.14 -1.94 -0.20 0.00 -0.00 0.00 0.00 57.50 55.22 3hs0 n TRP 735 Cb 0.63 -2.40 -0.10 0.00 -0.00 0.00 0.00 31.31 29.43 3hs0 n TRP 735 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 3hs0 s LEU 736 N 6.65 2.50 -0.05 5.87 1.43 -1.26 -5.15 118.68 128.66 3hs0 s LEU 736 Ca 0.61 -1.13 0.04 0.00 -1.03 0.00 0.00 54.13 52.63 3hs0 s LEU 736 Cb 0.05 -0.65 -0.00 0.00 0.03 0.00 0.00 46.19 45.62 3hs0 s LEU 736 CO 0.10 -0.28 -0.19 -0.89 0.23 0.00 0.00 176.35 175.33 3hs0 s THR 737 N -3.00 1.58 0.26 5.49 2.01 -1.26 -5.13 115.64 115.60 3hs0 s THR 737 Ca 0.27 -0.79 0.12 0.00 0.31 0.00 0.00 61.69 61.60 3hs0 s THR 737 Cb 0.02 -1.37 -0.05 0.00 0.01 0.00 0.00 72.50 71.12 3hs0 s THR 737 CO 0.10 0.45 -0.21 -0.54 -0.69 0.00 0.00 174.62 173.74 3hs0 s LYS 738 N 0.10 1.65 -0.08 4.92 -0.14 -1.26 -5.14 119.74 119.79 3hs0 s LYS 738 Ca -0.07 -1.72 0.04 0.00 -1.36 0.00 0.00 55.97 52.86 3hs0 s LYS 738 Cb -0.13 -1.78 -0.01 0.00 -1.68 0.00 0.00 37.83 34.22 3hs0 s LYS 738 CO 0.03 0.34 -0.19 -0.51 -0.76 0.00 0.00 175.35 174.27 3hs0 s ASP 739 N -3.34 3.57 -1.20 2.83 1.01 -1.26 -5.06 116.67 113.22 3hs0 s ASP 739 Ca 0.28 -0.39 -0.15 0.00 0.71 0.00 0.00 52.55 53.00 3hs0 s ASP 739 Cb -0.06 -1.10 0.14 0.00 1.01 0.00 0.00 42.92 42.91 3hs0 s ASP 739 CO 0.14 0.24 1.48 -0.76 0.21 0.00 0.00 175.17 176.48 3hs0 s LEU 740 N -0.12 4.72 0.03 1.23 1.43 -1.26 -4.74 118.68 119.97 3hs0 s LEU 740 Ca -0.03 -2.74 0.22 0.00 -1.03 0.00 0.00 54.13 50.55 3hs0 s LEU 740 Cb -0.14 -2.45 -0.05 0.00 0.03 0.00 0.00 46.19 43.59 3hs0 s LEU 740 CO 0.04 -0.90 0.93 0.35 0.23 0.00 0.00 176.35 177.01 3hs0 n THR 741 N 5.18 0.13 -0.99 5.49 -2.24 -1.26 -4.99 114.28 115.60 3hs0 n THR 741 Ca 0.38 -0.24 -0.32 0.00 -2.27 0.00 0.00 64.05 61.60 3hs0 n THR 741 Cb 0.44 0.29 0.14 0.00 -2.10 0.00 0.00 70.33 69.10 3hs0 n THR 741 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3hs0 s GLU 742 N -3.21 1.51 0.21 -0.78 8.01 -1.26 -4.92 118.70 118.25 3hs0 s GLU 742 Ca 0.03 1.57 -0.31 0.00 0.01 0.00 0.00 54.97 56.27 3hs0 s GLU 742 Cb 0.14 -1.78 -0.11 0.00 -4.31 0.00 0.00 34.13 28.08 3hs0 s GLU 742 CO 0.83 -2.28 1.62 -2.00 0.01 0.00 0.00 175.26 173.44 3hs0 s GLU 743 N -4.45 4.17 1.05 1.61 2.56 -1.26 -4.78 118.70 117.60 3hs0 s GLU 743 Ca 0.68 2.49 -0.12 0.00 0.00 0.00 0.00 54.97 58.02 3hs0 s GLU 743 Cb -0.24 -3.10 0.22 0.00 2.00 0.00 0.00 34.13 33.01 3hs0 s GLU 743 CO 0.54 -0.66 1.07 -2.14 -0.56 0.00 0.00 175.26 173.51 3hs0 s PRO 744 N 0.80 -0.02 0.00 4.30 0.02 -1.26 -4.60 135.00 134.24 3hs0 s PRO 744 Ca 0.70 0.91 0.00 0.00 0.02 0.00 0.00 61.00 62.63 3hs0 s PRO 744 Cb -0.47 -1.65 0.00 0.00 0.02 0.00 0.00 34.50 32.40 3hs0 s PRO 744 CO 0.35 -3.14 0.00 0.27 -0.33 0.00 0.00 177.00 174.15 3hs0 n ASN 745 N -4.52 0.22 0.08 2.53 6.94 -0.94 -4.85 115.26 114.72 3hs0 n ASN 745 Ca 0.05 0.00 0.03 0.00 -0.02 0.00 0.00 54.58 54.64 3hs0 n ASN 745 Cb 0.54 0.00 0.41 0.00 -2.36 0.00 0.00 39.78 38.37 3hs0 n ASN 745 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3hs0 h SER 746 N 0.00 0.31 -0.53 0.53 0.02 -1.98 -2.75 113.55 109.16 3hs0 h SER 746 Ca 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3hs0 h SER 746 Cb 0.00 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.46 3hs0 h SER 746 CO 0.00 0.36 0.00 0.00 -1.14 0.00 0.00 176.83 176.05 3hs0 n GLN 747 N -4.36 3.56 -2.87 3.45 6.02 -1.26 -4.95 117.38 116.97 3hs0 n GLN 747 Ca 0.00 -2.78 -0.10 0.00 -0.01 0.00 0.00 57.00 54.11 3hs0 n GLN 747 Cb 0.19 -1.82 0.03 0.00 1.02 0.00 0.00 30.24 29.66 3hs0 n GLN 747 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hs0 n GLY 748 N 0.71 0.28 3.16 1.08 0.00 -1.04 -5.04 105.19 104.34 3hs0 n GLY 748 Ca 0.23 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 3hs0 n GLY 748 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hs0 s ILE 749 N -3.05 1.82 -0.30 -0.61 -1.09 -1.26 -4.82 121.20 111.88 3hs0 s ILE 749 Ca 0.22 -0.87 -0.13 0.00 -2.23 0.00 0.00 60.65 57.65 3hs0 s ILE 749 Cb -0.10 -1.60 -0.03 0.00 -1.58 0.00 0.00 42.46 39.15 3hs0 s ILE 749 CO 0.27 0.51 0.26 -0.44 -1.23 0.00 0.00 174.94 174.31 3hs0 s SER 750 N 0.55 6.10 -0.22 3.58 0.01 -1.26 -2.22 113.70 120.24 3hs0 s SER 750 Ca -0.15 -0.10 -0.07 0.00 1.31 0.00 0.00 55.95 56.94 3hs0 s SER 750 Cb -0.17 -2.15 -0.04 0.00 0.21 0.00 0.00 66.02 63.87 3hs0 s SER 750 CO 0.05 -0.17 0.07 -0.55 0.41 0.00 0.00 173.24 173.05 3hs0 s SER 751 N 1.73 5.37 -0.25 2.44 0.15 -1.26 -4.96 113.70 116.90 3hs0 s SER 751 Ca 0.09 -0.07 0.02 0.00 0.70 0.00 0.00 55.95 56.69 3hs0 s SER 751 Cb -0.16 -1.94 0.06 0.00 -1.71 0.00 0.00 66.02 62.27 3hs0 s SER 751 CO 0.11 0.07 -0.08 -0.75 1.20 0.00 0.00 173.24 173.78 3hs0 s LYS 752 N 1.01 1.97 0.46 5.44 2.20 -1.26 -4.87 119.74 124.69 3hs0 s LYS 752 Ca 0.04 -1.24 -0.23 0.00 -0.36 0.00 0.00 55.97 54.18 3hs0 s LYS 752 Cb -0.14 -2.79 -0.07 0.00 -1.51 0.00 0.00 37.83 33.32 3hs0 s LYS 752 CO 0.03 -0.60 1.19 0.99 -0.36 0.00 0.00 175.35 176.60 3hs0 s THR 753 N 1.20 2.99 -0.14 3.43 2.01 -1.26 -5.04 115.64 118.82 3hs0 s THR 753 Ca -0.07 0.75 -0.06 0.00 0.31 0.00 0.00 61.69 62.62 3hs0 s THR 753 Cb -0.20 -3.38 0.06 0.00 0.01 0.00 0.00 72.50 68.99 3hs0 s THR 753 CO -0.06 -0.00 0.31 -0.32 -0.69 0.00 0.00 174.62 173.87 3hs0 s MET 754 N -2.68 0.24 0.00 4.92 0.00 -1.26 -5.16 119.30 115.36 3hs0 s MET 754 Ca 0.64 0.75 0.01 0.00 0.00 0.00 0.00 55.69 57.09 3hs0 s MET 754 Cb -0.30 0.01 -0.04 0.00 0.00 0.00 0.00 34.83 34.50 3hs0 s MET 754 CO 0.37 -0.22 0.01 -1.12 0.00 0.00 0.00 175.02 174.05 3hs0 s SER 755 N 1.96 5.15 0.16 1.11 0.01 -1.26 -5.11 113.70 115.71 3hs0 s SER 755 Ca -0.04 -0.00 -0.24 0.00 1.31 0.00 0.00 55.95 56.97 3hs0 s SER 755 Cb -0.11 -1.35 0.06 0.00 0.21 0.00 0.00 66.02 64.83 3hs0 s SER 755 CO -0.10 0.28 0.78 0.72 0.41 0.00 0.00 173.24 175.33 3hs0 s PHE 756 N -1.10 -0.30 -0.03 2.43 -0.12 -1.26 -5.17 117.98 112.44 3hs0 s PHE 756 Ca 0.20 0.01 0.01 0.00 -0.05 0.00 0.00 56.93 57.10 3hs0 s PHE 756 Cb -0.12 0.62 -0.03 0.00 -0.63 0.00 0.00 43.02 42.86 3hs0 s PHE 756 CO 0.11 -0.89 -0.00 0.71 -0.05 0.00 0.00 175.22 175.09 3hs0 s TYR 757 N -3.55 3.09 0.61 3.49 2.02 -1.26 -5.11 117.35 116.64 3hs0 s TYR 757 Ca 0.07 0.11 -0.13 0.00 -0.37 0.00 0.00 57.07 56.75 3hs0 s TYR 757 Cb -0.02 -1.70 -0.03 0.00 -0.40 0.00 0.00 41.96 39.80 3hs0 s TYR 757 CO -0.03 0.46 1.04 -0.51 -1.57 0.00 0.00 175.55 174.93 3hs0 s LEU 758 N -1.35 3.35 0.00 -1.29 1.43 -1.26 -5.08 118.68 114.48 3hs0 s LEU 758 Ca 0.18 1.60 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 3hs0 s LEU 758 Cb -0.11 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.61 3hs0 s LEU 758 CO 0.08 -1.05 0.00 0.54 0.23 0.00 0.00 176.35 176.15 3hs0 n ARG 759 N -2.45 0.49 0.08 1.70 5.12 -1.26 -5.00 116.66 115.34 3hs0 n ARG 759 Ca 0.07 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 56.11 3hs0 n ARG 759 Cb 0.54 0.00 0.11 0.00 -1.16 0.00 0.00 32.46 31.94 3hs0 n ARG 759 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 3hs0 h ASP 760 N 0.00 0.00 -2.42 0.55 3.32 -1.83 -3.48 116.42 112.57 3hs0 h ASP 760 Ca 0.00 -0.13 -0.59 0.00 0.02 0.00 0.00 57.03 56.33 3hs0 h ASP 760 Cb 0.00 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.62 3hs0 h ASP 760 CO 0.00 0.07 0.66 -1.20 -1.72 0.00 0.00 179.24 177.05 3hs0 n SER 761 N -2.36 2.75 -4.38 6.45 7.64 -1.23 -4.90 113.62 117.59 3hs0 n SER 761 Ca 0.02 1.12 -0.45 0.00 1.01 0.00 0.00 58.87 60.57 3hs0 n SER 761 Cb 0.48 -1.40 -0.05 0.00 -1.01 0.00 0.00 64.21 62.23 3hs0 n SER 761 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3hs0 s ILE 762 N 0.35 4.95 0.00 0.44 1.01 -1.26 -4.87 121.20 121.81 3hs0 s ILE 762 Ca 0.74 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 60.42 3hs0 s ILE 762 Cb -0.69 -4.38 0.00 0.00 0.01 0.00 0.00 42.46 37.40 3hs0 s ILE 762 CO 0.45 -0.94 0.00 0.41 0.00 0.00 0.00 174.94 174.86 3hs0 n THR 763 N 5.47 0.00 -4.28 2.92 -1.04 -1.00 -4.98 114.28 111.38 3hs0 n THR 763 Ca -0.10 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.57 3hs0 n THR 763 Cb 0.43 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.80 3hs0 n THR 763 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3hs0 s THR 764 N -2.35 3.35 0.14 12.58 2.01 -1.26 -0.32 115.64 129.79 3hs0 s THR 764 Ca 0.00 -0.53 -0.17 0.00 0.31 0.00 0.00 61.69 61.31 3hs0 s THR 764 Cb 0.00 -2.48 -0.07 0.00 0.01 0.00 0.00 72.50 69.96 3hs0 s THR 764 CO 0.00 0.47 0.59 0.26 -0.69 0.00 0.00 174.62 175.25 3hs0 s TRP 765 N 0.91 3.67 -0.24 4.92 0.52 0.11 -4.90 118.94 123.92 3hs0 s TRP 765 Ca -0.01 1.18 -0.00 0.00 0.02 0.00 0.00 56.10 57.28 3hs0 s TRP 765 Cb -0.15 -2.45 0.03 0.00 -1.15 0.00 0.00 33.47 29.75 3hs0 s TRP 765 CO 0.01 0.46 -0.09 0.08 0.02 0.00 0.00 176.95 177.42 3hs0 s VAL 766 N -1.38 2.62 -0.24 4.03 1.01 -1.26 -0.07 120.40 125.12 3hs0 s VAL 766 Ca 0.36 -1.10 -0.19 0.00 0.00 0.00 0.00 61.98 61.06 3hs0 s VAL 766 Cb -0.17 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 3hs0 s VAL 766 CO 0.19 0.23 0.54 -0.69 0.00 0.00 0.00 175.10 175.37 3hs0 s VAL 767 N 1.28 5.07 -0.18 2.92 1.01 0.35 -4.95 120.40 125.90 3hs0 s VAL 767 Ca -0.00 0.96 -0.02 0.00 0.00 0.00 0.00 61.98 62.92 3hs0 s VAL 767 Cb -0.16 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 3hs0 s VAL 767 CO -0.06 0.11 -0.10 -0.76 0.00 0.00 0.00 175.10 174.29 3hs0 s LEU 768 N 2.09 2.70 0.05 3.92 1.43 -1.26 -1.95 118.68 125.65 3hs0 s LEU 768 Ca 0.23 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.95 3hs0 s LEU 768 Cb -0.16 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 3hs0 s LEU 768 CO 0.09 0.05 0.04 0.00 0.23 0.00 0.00 176.35 176.76 3hs0 s ALA 769 N 1.04 3.43 -0.22 4.21 0.00 -1.26 -5.05 121.76 123.91 3hs0 s ALA 769 Ca -0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 51.96 50.91 3hs0 s ALA 769 Cb -0.15 -1.36 0.10 0.00 0.00 0.00 0.00 23.12 21.71 3hs0 s ALA 769 CO -0.02 0.71 0.24 0.08 0.00 0.00 0.00 175.76 176.76 3hs0 s VAL 770 N -1.28 -0.34 0.14 0.00 1.01 -1.26 -2.05 120.40 116.62 3hs0 s VAL 770 Ca 0.25 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.05 3hs0 s VAL 770 Cb -0.12 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 3hs0 s VAL 770 CO 0.17 -0.27 0.26 -0.94 0.00 0.00 0.00 175.10 174.33 3hs0 s SER 771 N 2.33 6.29 -0.04 3.32 1.04 -0.35 -4.92 113.70 121.37 3hs0 s SER 771 Ca 0.08 0.16 -0.00 0.00 0.48 0.00 0.00 55.95 56.67 3hs0 s SER 771 Cb -0.15 -1.88 0.03 0.00 0.10 0.00 0.00 66.02 64.11 3hs0 s SER 771 CO -0.17 0.07 0.00 0.12 0.98 0.00 0.00 173.24 174.24 3hs0 s PHE 772 N -1.71 0.42 0.28 5.02 5.36 -1.26 -0.90 117.98 125.19 3hs0 s PHE 772 Ca 0.34 -0.03 0.11 0.00 -0.96 0.00 0.00 56.93 56.39 3hs0 s PHE 772 Cb -0.11 -0.53 -0.05 0.00 -0.34 0.00 0.00 43.02 41.98 3hs0 s PHE 772 CO 0.28 -0.18 -0.18 0.95 -1.46 0.00 0.00 175.22 174.63 3hs0 s THR 773 N 1.32 2.38 0.02 0.12 -4.23 -1.18 -5.02 115.64 109.06 3hs0 s THR 773 Ca -0.05 -2.36 0.32 0.00 -1.18 0.00 0.00 61.69 58.41 3hs0 s THR 773 Cb -0.13 -2.34 0.39 0.00 1.34 0.00 0.00 72.50 71.76 3hs0 s THR 773 CO -0.02 -0.38 1.93 -0.65 -0.54 0.00 0.00 174.62 174.96 3hs0 h PRO 774 N 2.25 0.00 0.00 3.99 0.11 -2.01 -2.71 132.00 133.62 3hs0 h PRO 774 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3hs0 h PRO 774 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3hs0 h PRO 774 CO 0.62 0.00 -0.77 0.25 -0.21 0.00 0.00 178.00 177.89 3hs0 n THR 775 N -3.09 0.00 -0.14 -1.15 -2.24 -1.26 -4.68 114.28 101.71 3hs0 n THR 775 Ca 0.01 -0.26 0.04 0.00 -2.27 0.00 0.00 64.05 61.57 3hs0 n THR 775 Cb 0.34 0.73 0.12 0.00 -2.10 0.00 0.00 70.33 69.42 3hs0 n THR 775 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hs0 n LYS 776 N -1.42 2.90 0.00 -0.78 4.76 -1.21 -5.10 118.16 117.32 3hs0 n LYS 776 Ca 0.00 -1.93 0.00 0.00 -2.87 0.00 0.00 58.31 53.51 3hs0 n LYS 776 Cb 0.16 -1.21 0.00 0.00 -1.84 0.00 0.00 35.03 32.14 3hs0 n LYS 776 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hs0 n GLY 777 N 0.26 0.58 3.75 0.72 0.00 -1.03 -4.71 105.19 104.77 3hs0 n GLY 777 Ca 0.09 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.89 3hs0 n GLY 777 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hs0 s ILE 778 N 0.00 4.13 -0.04 -0.61 1.01 -1.26 -3.10 121.20 121.33 3hs0 s ILE 778 Ca 0.00 2.02 -0.01 0.00 0.00 0.00 0.00 60.65 62.66 3hs0 s ILE 778 Cb 0.00 -4.30 0.03 0.00 0.01 0.00 0.00 42.46 38.20 3hs0 s ILE 778 CO 0.00 0.50 0.03 0.00 0.00 0.00 0.00 174.94 175.47 3hs0 s VAL 780 N 1.64 5.14 0.56 0.00 1.01 -1.26 -1.21 120.40 126.28 3hs0 s VAL 780 Ca -0.01 0.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.93 3hs0 s VAL 780 Cb -0.13 -3.41 -0.06 0.00 0.00 0.00 0.00 36.38 32.78 3hs0 s VAL 780 CO -0.03 0.32 1.01 0.00 0.00 0.00 0.00 175.10 176.40 3hs0 s ALA 781 N 1.33 3.05 0.16 5.51 0.00 -0.87 -5.03 121.76 125.91 3hs0 s ALA 781 Ca 0.07 0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.83 3hs0 s ALA 781 Cb -0.15 -3.11 -0.07 0.00 0.00 0.00 0.00 23.12 19.79 3hs0 s ALA 781 CO 0.06 -0.44 1.11 -1.21 0.00 0.00 0.00 175.76 175.28 3hs0 s GLU 782 N -4.46 4.57 0.27 0.00 2.02 -1.26 -4.67 118.70 115.18 3hs0 s GLU 782 Ca 0.58 1.71 -0.31 0.00 0.02 0.00 0.00 54.97 56.98 3hs0 s GLU 782 Cb -0.11 -3.29 -0.12 0.00 0.10 0.00 0.00 34.13 30.72 3hs0 s GLU 782 CO 0.40 0.03 1.63 -2.30 0.02 0.00 0.00 175.26 175.04 3hs0 n PRO 783 N 2.59 2.73 -3.42 0.39 -0.02 -1.26 -4.91 135.00 131.10 3hs0 n PRO 783 Ca 0.03 0.97 -0.39 0.00 -2.02 0.00 0.00 63.50 62.10 3hs0 n PRO 783 Cb 0.46 -2.77 -0.09 0.00 -0.02 0.00 0.00 33.50 31.08 3hs0 n PRO 783 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3hs0 s TYR 784 N 0.29 3.27 -0.01 6.00 5.04 -0.83 -4.93 117.35 126.18 3hs0 s TYR 784 Ca 0.67 0.42 -0.13 0.00 -2.44 0.00 0.00 57.07 55.58 3hs0 s TYR 784 Cb -0.50 -2.53 -0.05 0.00 0.35 0.00 0.00 41.96 39.22 3hs0 s TYR 784 CO 0.44 -0.17 0.37 -1.21 -1.34 0.00 0.00 175.55 173.65 3hs0 s GLU 785 N 1.86 3.84 -0.15 4.97 2.02 -1.26 -0.49 118.70 129.49 3hs0 s GLU 785 Ca 0.15 0.32 0.01 0.00 0.02 0.00 0.00 54.97 55.47 3hs0 s GLU 785 Cb -0.15 -3.20 0.01 0.00 0.10 0.00 0.00 34.13 30.89 3hs0 s GLU 785 CO 0.09 0.69 -0.19 0.42 0.02 0.00 0.00 175.26 176.29 3hs0 s ILE 786 N -1.10 2.32 -0.28 -1.63 1.01 0.90 -4.98 121.20 117.44 3hs0 s ILE 786 Ca 0.24 -0.89 -0.09 0.00 0.00 0.00 0.00 60.65 59.91 3hs0 s ILE 786 Cb -0.16 -1.95 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 3hs0 s ILE 786 CO 0.13 0.53 0.13 -0.60 0.00 0.00 0.00 174.94 175.13 3hs0 s ARG 787 N 0.85 3.61 -0.11 2.79 3.52 -1.26 0.05 118.95 128.39 3hs0 s ARG 787 Ca -0.06 -0.53 0.01 0.00 -0.13 0.00 0.00 55.73 55.02 3hs0 s ARG 787 Cb -0.15 -3.51 -0.02 0.00 -1.56 0.00 0.00 34.95 29.71 3hs0 s ARG 787 CO -0.02 -0.28 -0.13 0.08 -0.81 0.00 0.00 175.30 174.15 3hs0 s VAL 788 N 1.65 3.08 -0.24 7.11 1.01 0.57 -5.01 120.40 128.58 3hs0 s VAL 788 Ca 0.06 -0.66 -0.26 0.00 0.00 0.00 0.00 61.98 61.11 3hs0 s VAL 788 Cb -0.16 -2.28 0.11 0.00 0.00 0.00 0.00 36.38 34.05 3hs0 s VAL 788 CO 0.07 0.54 0.95 -0.32 0.00 0.00 0.00 175.10 176.33 3hs0 s MET 789 N 0.10 0.62 0.24 2.72 0.00 -1.26 -2.37 119.30 119.35 3hs0 s MET 789 Ca -0.06 0.57 0.07 0.00 0.00 0.00 0.00 55.69 56.26 3hs0 s MET 789 Cb -0.15 0.30 -0.03 0.00 0.00 0.00 0.00 34.83 34.95 3hs0 s MET 789 CO 0.05 -0.11 0.22 0.15 0.00 0.00 0.00 175.02 175.33 3hs0 s LYS 790 N -0.08 3.01 0.31 4.11 1.02 -1.26 -5.02 119.74 121.83 3hs0 s LYS 790 Ca 0.01 -0.99 0.10 0.00 0.02 0.00 0.00 55.97 55.11 3hs0 s LYS 790 Cb -0.04 -2.63 0.50 0.00 -0.52 0.00 0.00 37.83 35.15 3hs0 s LYS 790 CO -0.02 0.41 1.70 0.28 -0.92 0.00 0.00 175.35 176.80 3hs0 h VAL 791 N 1.47 1.35 -3.43 3.17 2.07 -1.93 -3.43 116.25 115.52 3hs0 h VAL 791 Ca -0.49 -1.70 -0.29 0.00 0.82 0.00 0.00 66.70 65.03 3hs0 h VAL 791 Cb 1.23 1.89 -0.34 0.00 -1.52 0.00 0.00 31.29 32.56 3hs0 h VAL 791 CO 0.61 0.49 -0.70 0.12 0.02 0.00 0.00 177.57 178.11 3hs0 s PHE 792 N -3.92 -0.02 0.03 1.57 5.36 -1.26 -0.99 117.98 118.75 3hs0 s PHE 792 Ca -0.02 0.23 -0.28 0.00 -0.96 0.00 0.00 56.93 55.90 3hs0 s PHE 792 Cb 0.13 -0.23 0.10 0.00 -0.34 0.00 0.00 43.02 42.68 3hs0 s PHE 792 CO 0.75 -0.12 0.87 -0.59 -1.46 0.00 0.00 175.22 174.67 3hs0 s PHE 793 N 1.24 -0.34 -0.10 10.12 -0.12 -1.01 -4.64 117.98 123.12 3hs0 s PHE 793 Ca -0.07 0.18 -0.05 0.00 -0.05 0.00 0.00 56.93 56.94 3hs0 s PHE 793 Cb -0.13 0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 42.78 3hs0 s PHE 793 CO -0.04 -0.60 0.09 0.42 -0.05 0.00 0.00 175.22 175.04 3hs0 s ILE 794 N -3.20 5.08 -0.16 -4.49 1.01 -1.26 -1.23 121.20 116.94 3hs0 s ILE 794 Ca 0.05 0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.72 3hs0 s ILE 794 Cb -0.01 -3.20 0.02 0.00 0.01 0.00 0.00 42.46 39.28 3hs0 s ILE 794 CO -0.08 0.59 -0.17 -0.62 0.00 0.00 0.00 174.94 174.66 3hs0 s ASP 795 N -1.05 2.87 -0.19 3.58 2.15 -0.78 -4.92 116.67 118.32 3hs0 s ASP 795 Ca 0.15 -0.56 0.01 0.00 0.43 0.00 0.00 52.55 52.59 3hs0 s ASP 795 Cb -0.12 -1.31 0.04 0.00 -0.30 0.00 0.00 42.92 41.23 3hs0 s ASP 795 CO 0.04 -0.03 -0.12 -0.22 -0.17 0.00 0.00 175.17 174.67 3hs0 s LEU 796 N 1.40 2.23 -0.30 -1.34 2.96 -1.26 -1.54 118.68 120.83 3hs0 s LEU 796 Ca 0.05 -0.82 -0.10 0.00 -0.22 0.00 0.00 54.13 53.04 3hs0 s LEU 796 Cb -0.13 -1.27 -0.02 0.00 0.50 0.00 0.00 46.19 45.26 3hs0 s LEU 796 CO -0.12 -0.11 0.16 -1.10 -1.32 0.00 0.00 176.35 173.86 3hs0 s GLN 797 N 1.38 3.59 0.03 1.98 -1.52 -1.26 -5.08 119.66 118.79 3hs0 s GLN 797 Ca 0.00 -0.55 -0.00 0.00 -1.95 0.00 0.00 55.36 52.86 3hs0 s GLN 797 Cb -0.15 -3.59 -0.04 0.00 -0.22 0.00 0.00 33.01 29.00 3hs0 s GLN 797 CO -0.09 -0.31 0.15 -1.64 -0.25 0.00 0.00 175.29 173.15 3hs0 s MET 798 N 1.68 3.25 0.95 2.91 -1.94 -1.26 -4.68 119.30 120.21 3hs0 s MET 798 Ca 0.06 -0.47 -0.12 0.00 -1.71 0.00 0.00 55.69 53.45 3hs0 s MET 798 Cb -0.16 -2.96 0.16 0.00 2.01 0.00 0.00 34.83 33.88 3hs0 s MET 798 CO 0.08 0.62 1.11 -1.25 -0.01 0.00 0.00 175.02 175.58 3hs0 s PRO 799 N -2.19 0.85 0.37 2.03 0.04 -1.26 -4.96 135.00 129.88 3hs0 s PRO 799 Ca 0.30 0.43 0.09 0.00 0.04 0.00 0.00 61.00 61.86 3hs0 s PRO 799 Cb -0.13 -1.79 0.71 0.00 0.04 0.00 0.00 34.50 33.33 3hs0 s PRO 799 CO 0.22 -2.42 1.86 -0.92 0.04 0.00 0.00 177.00 175.78 3hs0 h TYR 800 N -1.67 0.23 -2.38 0.56 3.20 -1.99 -3.45 116.97 111.47 3hs0 h TYR 800 Ca -0.52 -0.03 0.11 0.00 3.14 0.00 0.00 58.73 61.42 3hs0 h TYR 800 Cb 1.33 -0.06 -0.13 0.00 1.54 0.00 0.00 36.73 39.40 3hs0 h TYR 800 CO 0.31 0.42 0.46 -1.54 -1.64 0.00 0.00 178.16 176.16 3hs0 s SER 801 N -6.89 -0.35 0.09 -2.11 1.04 -1.26 -4.43 113.70 99.79 3hs0 s SER 801 Ca -0.05 -0.08 0.04 0.00 0.48 0.00 0.00 55.95 56.34 3hs0 s SER 801 Cb 0.15 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 3hs0 s SER 801 CO 0.74 -0.72 -0.12 0.68 0.98 0.00 0.00 173.24 174.80 3hs0 s VAL 802 N -3.23 1.03 0.26 5.02 -7.23 -0.55 -5.01 120.40 110.69 3hs0 s VAL 802 Ca 0.06 -1.49 -0.23 0.00 -1.81 0.00 0.00 61.98 58.51 3hs0 s VAL 802 Cb -0.01 -1.22 -0.09 0.00 0.56 0.00 0.00 36.38 35.62 3hs0 s VAL 802 CO -0.07 -0.41 0.83 -0.69 -0.31 0.00 0.00 175.10 174.45 3hs0 s VAL 803 N -1.90 4.38 0.42 1.32 1.01 -1.26 -1.96 120.40 122.40 3hs0 s VAL 803 Ca 0.02 1.58 -0.26 0.00 0.00 0.00 0.00 61.98 63.32 3hs0 s VAL 803 Cb -0.06 -3.96 -0.10 0.00 0.00 0.00 0.00 36.38 32.26 3hs0 s VAL 803 CO 0.01 0.22 1.45 1.17 0.00 0.00 0.00 175.10 177.95 3hs0 n LYS 804 N 0.76 2.42 -0.98 2.72 4.81 -0.15 -3.18 118.16 124.56 3hs0 n LYS 804 Ca -0.01 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.29 3hs0 n LYS 804 Cb 0.50 -2.63 0.00 0.00 0.02 0.00 0.00 35.03 32.92 3hs0 n LYS 804 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3hs0 n ASN 805 N 0.11 -2.80 -4.01 3.14 3.02 0.66 -4.68 115.26 110.71 3hs0 n ASN 805 Ca 0.04 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.27 3hs0 n ASN 805 Cb 0.40 -1.00 -0.15 0.00 -0.61 0.00 0.00 39.78 38.42 3hs0 n ASN 805 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3hs0 s GLU 806 N -0.38 1.98 0.15 3.52 2.12 -1.19 -4.94 118.70 119.96 3hs0 s GLU 806 Ca 0.00 -1.10 -0.31 0.00 0.36 0.00 0.00 54.97 53.91 3hs0 s GLU 806 Cb 0.00 -2.68 -0.11 0.00 0.26 0.00 0.00 34.13 31.60 3hs0 s GLU 806 CO 0.00 -0.55 1.76 -1.14 -0.54 0.00 0.00 175.26 174.79 3hs0 s GLN 807 N 1.27 4.15 0.14 4.30 0.74 -1.26 -4.56 119.66 124.43 3hs0 s GLN 807 Ca -0.06 2.55 0.05 0.00 0.05 0.00 0.00 55.36 57.95 3hs0 s GLN 807 Cb -0.19 -3.40 -0.04 0.00 1.10 0.00 0.00 33.01 30.48 3hs0 s GLN 807 CO -0.06 -0.78 -0.11 0.14 -0.55 0.00 0.00 175.29 173.92 3hs0 s VAL 808 N 2.13 1.21 -0.14 1.34 -7.23 -0.64 -5.00 120.40 112.06 3hs0 s VAL 808 Ca 0.77 -1.94 -0.04 0.00 -1.81 0.00 0.00 61.98 58.96 3hs0 s VAL 808 Cb -0.46 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 34.72 3hs0 s VAL 808 CO 0.34 -0.64 0.01 -0.70 -0.31 0.00 0.00 175.10 173.80 3hs0 s GLU 809 N -3.37 3.57 -0.21 4.82 2.12 -1.26 -2.01 118.70 122.37 3hs0 s GLU 809 Ca 0.14 -0.43 -0.04 0.00 0.36 0.00 0.00 54.97 55.00 3hs0 s GLU 809 Cb -0.00 -2.98 -0.02 0.00 0.26 0.00 0.00 34.13 31.39 3hs0 s GLU 809 CO 0.01 0.39 -0.02 0.42 -0.54 0.00 0.00 175.26 175.52 3hs0 s ILE 810 N -0.01 3.68 -0.38 -3.70 -1.09 -0.05 -4.95 121.20 114.70 3hs0 s ILE 810 Ca 0.03 -0.40 -0.10 0.00 -2.23 0.00 0.00 60.65 57.95 3hs0 s ILE 810 Cb -0.13 -2.67 0.04 0.00 -1.58 0.00 0.00 42.46 38.12 3hs0 s ILE 810 CO 0.02 0.43 0.21 -0.60 -1.23 0.00 0.00 174.94 173.76 3hs0 s ARG 811 N 1.19 2.76 0.55 2.79 3.52 -1.26 -0.43 118.95 128.07 3hs0 s ARG 811 Ca 0.03 -1.16 -0.03 0.00 -0.13 0.00 0.00 55.73 54.44 3hs0 s ARG 811 Cb -0.14 -3.72 0.02 0.00 -1.56 0.00 0.00 34.95 29.55 3hs0 s ARG 811 CO 0.00 -0.74 0.82 0.00 -0.81 0.00 0.00 175.30 174.57 3hs0 s ALA 812 N 1.52 3.53 -0.06 6.12 0.00 -0.75 -4.18 121.76 127.93 3hs0 s ALA 812 Ca 0.02 -0.95 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 3hs0 s ALA 812 Cb -0.20 -2.36 0.03 0.00 0.00 0.00 0.00 23.12 20.59 3hs0 s ALA 812 CO 0.06 -0.72 0.03 0.42 0.00 0.00 0.00 175.76 175.55 3hs0 s ILE 813 N -2.85 0.14 -0.30 0.00 -1.09 -0.59 -1.32 121.20 115.19 3hs0 s ILE 813 Ca 0.54 0.23 -0.25 0.00 -2.23 0.00 0.00 60.65 58.94 3hs0 s ILE 813 Cb -0.10 -0.37 0.00 0.00 -1.58 0.00 0.00 42.46 40.41 3hs0 s ILE 813 CO 0.42 0.19 0.87 -0.76 -1.23 0.00 0.00 174.94 174.42 3hs0 s LEU 814 N 2.07 4.05 -0.42 2.97 1.02 0.47 -1.87 118.68 126.96 3hs0 s LEU 814 Ca 0.05 0.82 -0.14 0.00 0.02 0.00 0.00 54.13 54.88 3hs0 s LEU 814 Cb -0.12 -3.22 0.04 0.00 0.02 0.00 0.00 46.19 42.91 3hs0 s LEU 814 CO -0.04 -0.67 0.30 -1.00 0.02 0.00 0.00 176.35 174.96 3hs0 s HIS 815 N 3.12 3.25 -0.37 0.29 3.76 -0.37 -1.50 115.29 123.47 3hs0 s HIS 815 Ca 0.36 -0.85 -0.18 0.00 -0.15 0.00 0.00 55.06 54.24 3hs0 s HIS 815 Cb -0.14 -2.75 0.00 0.00 1.11 0.00 0.00 32.58 30.81 3hs0 s HIS 815 CO 0.12 -0.68 0.50 1.21 -0.85 0.00 0.00 174.74 175.04 3hs0 s ASN 816 N 1.95 6.28 -0.18 1.40 2.47 -1.03 -2.42 114.94 123.40 3hs0 s ASN 816 Ca 0.04 -0.21 0.16 0.00 0.42 0.00 0.00 52.86 53.27 3hs0 s ASN 816 Cb -0.21 -2.26 0.45 0.00 -1.45 0.00 0.00 41.25 37.78 3hs0 s ASN 816 CO 0.08 -0.52 1.34 -1.22 -3.72 0.00 0.00 177.10 173.05 3hs0 n TYR 817 N 5.74 0.64 -3.35 0.43 4.01 -0.17 -3.42 117.16 121.05 3hs0 n TYR 817 Ca -0.05 -1.07 -0.38 0.00 -0.16 0.00 0.00 57.90 56.24 3hs0 n TYR 817 Cb 0.49 -0.29 -0.06 0.00 -0.31 0.00 0.00 39.34 39.16 3hs0 n TYR 817 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3hs0 s VAL 818 N -2.94 4.93 0.00 -0.72 1.01 -1.25 -4.95 120.40 116.48 3hs0 s VAL 818 Ca 0.39 1.05 -0.01 0.00 0.00 0.00 0.00 61.98 63.42 3hs0 s VAL 818 Cb 0.34 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 3hs0 s VAL 818 CO 0.05 0.51 2.13 -3.20 0.00 0.00 0.00 175.10 174.59 3hs0 n ASN 819 N 2.18 5.15 -3.77 3.32 2.85 -1.26 -3.21 115.26 120.52 3hs0 n ASN 819 Ca -0.11 -2.37 -0.10 0.00 -0.11 0.00 0.00 54.58 51.90 3hs0 n ASN 819 Cb 0.51 -1.13 -0.06 0.00 1.24 0.00 0.00 39.78 40.35 3hs0 n ASN 819 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 3hs0 s GLU 820 N 0.20 0.98 0.25 1.20 -1.05 -1.26 -4.94 118.70 114.08 3hs0 s GLU 820 Ca 0.08 -0.87 -0.30 0.00 -0.15 0.00 0.00 54.97 53.74 3hs0 s GLU 820 Cb 0.04 0.41 -0.09 0.00 -0.44 0.00 0.00 34.13 34.04 3hs0 s GLU 820 CO 0.00 -0.35 1.17 -0.51 0.95 0.00 0.00 175.26 176.52 3hs0 s ASP 821 N -2.85 7.12 0.13 0.83 1.01 -1.26 -4.06 116.67 117.59 3hs0 s ASP 821 Ca 0.05 2.32 0.06 0.00 0.71 0.00 0.00 52.55 55.69 3hs0 s ASP 821 Cb 0.03 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 3hs0 s ASP 821 CO -0.10 -0.29 -0.13 0.27 0.21 0.00 0.00 175.17 175.12 3hs0 s ILE 822 N -0.72 1.32 -0.24 0.77 -4.36 -0.72 -4.97 121.20 112.29 3hs0 s ILE 822 Ca 0.48 -1.80 -0.02 0.00 -0.26 0.00 0.00 60.65 59.06 3hs0 s ILE 822 Cb -0.33 -1.60 0.02 0.00 1.25 0.00 0.00 42.46 41.79 3hs0 s ILE 822 CO 0.41 -0.48 -0.07 -0.47 0.24 0.00 0.00 174.94 174.57 3hs0 s TYR 823 N -2.37 3.02 0.27 1.37 5.04 -1.26 -0.38 117.35 123.03 3hs0 s TYR 823 Ca 0.11 -1.43 0.10 0.00 -2.44 0.00 0.00 57.07 53.40 3hs0 s TYR 823 Cb -0.03 -2.06 -0.04 0.00 0.35 0.00 0.00 41.96 40.17 3hs0 s TYR 823 CO 0.03 -0.70 -0.01 0.14 -1.34 0.00 0.00 175.55 173.67 3hs0 s VAL 824 N 1.36 3.42 -0.07 3.14 -7.23 0.13 -0.71 120.40 120.45 3hs0 s VAL 824 Ca 0.02 -1.92 0.04 0.00 -1.81 0.00 0.00 61.98 58.31 3hs0 s VAL 824 Cb -0.16 -2.83 -0.00 0.00 0.56 0.00 0.00 36.38 33.95 3hs0 s VAL 824 CO -0.05 -0.37 -0.21 -0.60 -0.31 0.00 0.00 175.10 173.56 3hs0 s ARG 825 N -3.66 2.38 -0.13 4.82 3.52 -0.62 -1.80 118.95 123.46 3hs0 s ARG 825 Ca 0.31 -0.75 -0.00 0.00 -0.13 0.00 0.00 55.73 55.16 3hs0 s ARG 825 Cb -0.06 -1.93 0.03 0.00 -1.56 0.00 0.00 34.95 31.42 3hs0 s ARG 825 CO 0.20 0.23 -0.08 0.08 -0.81 0.00 0.00 175.30 174.92 3hs0 s VAL 826 N 0.16 1.09 0.04 7.11 1.01 -0.20 -2.23 120.40 127.39 3hs0 s VAL 826 Ca -0.10 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.52 3hs0 s VAL 826 Cb -0.15 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 3hs0 s VAL 826 CO 0.05 0.32 -0.00 -1.61 0.00 0.00 0.00 175.10 173.86 3hs0 s GLU 827 N 1.67 2.66 -0.20 2.72 2.02 -0.58 -1.45 118.70 125.55 3hs0 s GLU 827 Ca 0.04 -0.72 -0.09 0.00 0.02 0.00 0.00 54.97 54.22 3hs0 s GLU 827 Cb -0.13 -2.60 -0.05 0.00 0.10 0.00 0.00 34.13 31.45 3hs0 s GLU 827 CO -0.08 0.58 0.10 -1.17 0.02 0.00 0.00 175.26 174.71 3hs0 s LEU 828 N -1.91 4.00 0.41 1.80 2.96 -0.93 -2.34 118.68 122.67 3hs0 s LEU 828 Ca 0.22 0.13 -0.21 0.00 -0.22 0.00 0.00 54.13 54.06 3hs0 s LEU 828 Cb -0.12 -2.03 -0.11 0.00 0.50 0.00 0.00 46.19 44.43 3hs0 s LEU 828 CO 0.14 0.15 0.93 -0.76 -1.32 0.00 0.00 176.35 175.49 3hs0 s LEU 829 N 0.54 3.98 0.04 -0.68 1.02 -0.64 -3.57 118.68 119.36 3hs0 s LEU 829 Ca 0.06 1.66 -0.30 0.00 0.02 0.00 0.00 54.13 55.57 3hs0 s LEU 829 Cb -0.12 -4.47 -0.04 0.00 0.02 0.00 0.00 46.19 41.58 3hs0 s LEU 829 CO 0.00 -0.33 1.05 -0.47 0.02 0.00 0.00 176.35 176.62 3hs0 s TYR 830 N -2.13 3.60 -0.07 0.29 5.04 -1.26 -4.76 117.35 118.07 3hs0 s TYR 830 Ca 0.61 1.59 -0.01 0.00 -2.44 0.00 0.00 57.07 56.81 3hs0 s TYR 830 Cb -0.10 -3.21 0.03 0.00 0.35 0.00 0.00 41.96 39.03 3hs0 s TYR 830 CO 0.14 -0.40 -0.00 1.21 -1.34 0.00 0.00 175.55 175.16 3hs0 s ASN 831 N 0.88 1.52 0.65 4.32 3.84 -1.26 -5.02 114.94 119.87 3hs0 s ASN 831 Ca 0.53 -0.08 0.36 0.00 0.21 0.00 0.00 52.86 53.88 3hs0 s ASN 831 Cb -0.24 -0.43 2.02 0.00 -0.55 0.00 0.00 41.25 42.04 3hs0 s ASN 831 CO 0.29 -0.18 2.19 -0.65 -2.79 0.00 0.00 177.10 175.95 3hs0 h PRO 832 N 8.24 0.00 0.00 0.43 0.11 -1.98 0.17 132.00 138.96 3hs0 h PRO 832 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 3hs0 h PRO 832 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3hs0 h PRO 832 CO 0.28 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.07 3hs0 h ALA 833 N 1.78 1.00 -3.83 -0.75 0.00 -1.96 -3.45 119.26 112.05 3hs0 h ALA 833 Ca 0.02 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.25 3hs0 h ALA 833 Cb 0.28 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 17.87 3hs0 h ALA 833 CO -0.00 0.00 -0.82 -0.06 0.00 0.00 0.00 179.25 178.37 3hs0 s PHE 834 N -3.52 2.47 -0.14 0.00 0.08 0.04 -0.06 117.98 116.85 3hs0 s PHE 834 Ca 0.03 -0.30 -0.17 0.00 0.12 0.00 0.00 56.93 56.61 3hs0 s PHE 834 Cb 0.09 -1.34 -0.04 0.00 -0.57 0.00 0.00 43.02 41.16 3hs0 s PHE 834 CO 0.53 0.35 0.45 0.00 -0.10 0.00 0.00 175.22 176.44 3hs0 n SER 836 N 3.88 0.00 0.15 0.00 3.41 -1.26 -0.59 113.62 119.22 3hs0 n SER 836 Ca -0.08 -0.47 0.13 0.00 -0.26 0.00 0.00 58.87 58.19 3hs0 n SER 836 Cb 0.51 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 64.90 3hs0 n SER 836 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hs0 h ALA 837 N 1.84 1.00 -2.45 7.33 0.00 -1.98 -3.45 119.26 121.56 3hs0 h ALA 837 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 3hs0 h ALA 837 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3hs0 h ALA 837 CO 0.00 0.00 -0.06 -1.12 0.00 0.00 0.00 179.25 178.07 3hs0 s SER 838 N -4.83 6.62 0.12 0.00 0.01 -1.26 -4.47 113.70 109.89 3hs0 s SER 838 Ca 0.07 0.98 -0.01 0.00 1.31 0.00 0.00 55.95 58.30 3hs0 s SER 838 Cb 0.10 -2.25 -0.04 0.00 0.21 0.00 0.00 66.02 64.04 3hs0 s SER 838 CO 0.54 -0.14 0.04 0.42 0.41 0.00 0.00 173.24 174.51 3hs0 s THR 839 N -1.94 0.14 0.61 1.44 -4.23 -0.63 -4.88 115.64 106.16 3hs0 s THR 839 Ca 0.49 -1.90 0.28 0.00 -1.18 0.00 0.00 61.69 59.37 3hs0 s THR 839 Cb -0.11 -1.99 0.35 0.00 1.34 0.00 0.00 72.50 72.10 3hs0 s THR 839 CO 0.22 -0.53 1.83 0.50 -0.54 0.00 0.00 174.62 176.10 3hs0 h LYS 840 N 2.89 0.00 0.00 3.99 3.64 -1.99 -1.64 116.57 123.46 3hs0 h LYS 840 Ca -0.35 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.01 3hs0 h LYS 840 Cb 1.19 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3hs0 h LYS 840 CO 0.60 0.00 -1.65 0.41 -2.27 0.00 0.00 179.45 176.54 3hs0 n GLY 841 N -1.46 -0.63 2.63 5.01 0.00 -1.26 -4.95 105.19 104.54 3hs0 n GLY 841 Ca 0.07 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 3hs0 n GLY 841 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hs0 s GLN 842 N -2.88 0.06 0.58 1.61 2.00 -0.62 -5.13 119.66 115.27 3hs0 s GLN 842 Ca -0.05 0.00 -0.19 0.00 -2.00 0.00 0.00 55.36 53.12 3hs0 s GLN 842 Cb 0.08 -1.62 -0.04 0.00 0.80 0.00 0.00 33.01 32.24 3hs0 s GLN 842 CO 0.57 -0.63 1.17 1.03 -0.50 0.00 0.00 175.29 176.92 3hs0 s ARG 843 N 2.16 3.11 -0.47 1.67 0.52 -1.26 -1.61 118.95 123.07 3hs0 s ARG 843 Ca 0.03 1.70 -0.24 0.00 -0.52 0.00 0.00 55.73 56.70 3hs0 s ARG 843 Cb -0.16 -1.96 0.03 0.00 0.52 0.00 0.00 34.95 33.38 3hs0 s ARG 843 CO -0.09 -1.06 0.86 -0.47 0.02 0.00 0.00 175.30 174.56 3hs0 s TYR 844 N -1.73 2.93 -0.11 -0.53 5.04 -1.23 -4.91 117.35 116.80 3hs0 s TYR 844 Ca 0.75 0.19 -0.01 0.00 -2.44 0.00 0.00 57.07 55.56 3hs0 s TYR 844 Cb -0.27 -3.85 -0.02 0.00 0.35 0.00 0.00 41.96 38.17 3hs0 s TYR 844 CO 0.31 -1.10 -0.08 0.50 -1.34 0.00 0.00 175.55 173.84 3hs0 s ARG 845 N 3.56 3.20 0.11 4.97 3.52 -1.26 -2.20 118.95 130.86 3hs0 s ARG 845 Ca 0.32 -0.58 0.10 0.00 -0.13 0.00 0.00 55.73 55.44 3hs0 s ARG 845 Cb -0.12 -2.69 -0.04 0.00 -1.56 0.00 0.00 34.95 30.54 3hs0 s ARG 845 CO 0.23 0.41 -0.24 -0.65 -0.81 0.00 0.00 175.30 174.24 3hs0 s GLN 846 N -0.13 1.58 -0.03 5.12 -0.21 -0.53 -4.98 119.66 120.48 3hs0 s GLN 846 Ca 0.01 -1.26 0.01 0.00 0.02 0.00 0.00 55.36 54.15 3hs0 s GLN 846 Cb -0.13 -1.98 0.02 0.00 1.00 0.00 0.00 33.01 31.91 3hs0 s GLN 846 CO 0.03 0.47 -0.05 -0.65 -2.12 0.00 0.00 175.29 172.97 3hs0 s GLN 847 N -1.96 0.80 0.11 2.91 -0.21 -1.26 -1.03 119.66 119.03 3hs0 s GLN 847 Ca 0.15 -0.15 -0.25 0.00 0.02 0.00 0.00 55.36 55.13 3hs0 s GLN 847 Cb -0.10 -0.78 0.08 0.00 1.00 0.00 0.00 33.01 33.20 3hs0 s GLN 847 CO 0.07 -0.02 0.74 -0.59 -2.12 0.00 0.00 175.29 173.37 3hs0 s PHE 848 N 0.64 -0.41 0.49 0.91 -0.12 -0.74 -5.00 117.98 113.74 3hs0 s PHE 848 Ca -0.09 0.19 -0.07 0.00 -0.05 0.00 0.00 56.93 56.92 3hs0 s PHE 848 Cb -0.12 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 42.80 3hs0 s PHE 848 CO 0.00 -0.78 0.81 -2.14 -0.05 0.00 0.00 175.22 173.06 3hs0 s PRO 849 N -3.52 3.59 -0.05 1.99 0.02 -1.26 -0.69 135.00 135.08 3hs0 s PRO 849 Ca 0.04 0.31 -0.01 0.00 0.02 0.00 0.00 61.00 61.36 3hs0 s PRO 849 Cb -0.02 -2.34 0.03 0.00 0.02 0.00 0.00 34.50 32.19 3hs0 s PRO 849 CO -0.08 -0.22 0.02 0.42 -0.33 0.00 0.00 177.00 176.81 3hs0 s ILE 850 N -2.74 0.15 1.06 2.83 1.01 0.48 -4.91 121.20 119.08 3hs0 s ILE 850 Ca 0.49 0.24 -0.14 0.00 0.00 0.00 0.00 60.65 61.23 3hs0 s ILE 850 Cb -0.10 -0.33 0.15 0.00 0.01 0.00 0.00 42.46 42.18 3hs0 s ILE 850 CO 0.44 0.21 0.57 0.29 0.00 0.00 0.00 174.94 176.45 3hs0 n LYS 851 N 5.01 -1.33 -2.15 2.79 4.76 -1.26 -1.76 118.16 124.22 3hs0 n LYS 851 Ca -0.09 -0.35 -0.40 0.00 -2.87 0.00 0.00 58.31 54.59 3hs0 n LYS 851 Cb 0.50 -1.98 -0.03 0.00 -1.84 0.00 0.00 35.03 31.68 3hs0 n LYS 851 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hs0 s ALA 852 N -2.39 2.53 0.00 7.82 0.00 -1.26 -2.98 121.76 125.48 3hs0 s ALA 852 Ca 0.61 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.09 3hs0 s ALA 852 Cb -0.20 -4.18 0.00 0.00 0.00 0.00 0.00 23.12 18.74 3hs0 s ALA 852 CO 0.65 -3.31 0.00 1.28 0.00 0.00 0.00 175.76 174.37 3hs0 n LEU 853 N 11.15 0.00 -4.70 0.00 4.32 -1.20 -4.80 117.00 121.77 3hs0 n LEU 853 Ca 0.18 0.00 -0.34 0.00 -0.02 0.00 0.00 56.01 55.83 3hs0 n LEU 853 Cb 0.50 0.00 0.12 0.00 -1.62 0.00 0.00 43.42 42.42 3hs0 n LEU 853 CO 0.70 0.00 0.79 -0.44 -1.22 0.00 0.00 177.39 177.22 3hs0 s SER 854 N -2.54 3.70 0.74 -1.43 0.01 -1.16 -4.77 113.70 108.25 3hs0 s SER 854 Ca 0.00 2.40 -0.00 0.00 1.31 0.00 0.00 55.95 59.65 3hs0 s SER 854 Cb 0.00 -2.59 0.14 0.00 0.21 0.00 0.00 66.02 63.78 3hs0 s SER 854 CO 0.00 -2.60 1.02 -0.44 0.41 0.00 0.00 173.24 171.63 3hs0 s SER 855 N -2.07 4.22 -0.28 2.44 0.01 -1.26 -2.47 113.70 114.29 3hs0 s SER 855 Ca 0.74 -0.50 -0.20 0.00 1.31 0.00 0.00 55.95 57.31 3hs0 s SER 855 Cb -0.30 0.21 0.08 0.00 0.21 0.00 0.00 66.02 66.22 3hs0 s SER 855 CO 0.49 -1.96 0.72 -0.60 0.41 0.00 0.00 173.24 172.31 3hs0 s ARG 856 N -5.17 0.74 0.18 12.44 3.52 -0.56 -4.95 118.95 125.15 3hs0 s ARG 856 Ca 0.68 1.10 -0.24 0.00 -0.13 0.00 0.00 55.73 57.14 3hs0 s ARG 856 Cb -0.04 0.24 -0.08 0.00 -1.56 0.00 0.00 34.95 33.51 3hs0 s ARG 856 CO 0.45 -0.13 0.77 0.00 -0.81 0.00 0.00 175.30 175.58 3hs0 s ALA 857 N 1.11 3.43 -0.29 6.12 0.00 -1.26 -0.40 121.76 130.47 3hs0 s ALA 857 Ca -0.06 0.32 -0.01 0.00 0.00 0.00 0.00 51.96 52.22 3hs0 s ALA 857 Cb -0.05 -2.93 0.09 0.00 0.00 0.00 0.00 23.12 20.23 3hs0 s ALA 857 CO -0.11 0.30 0.07 0.08 0.00 0.00 0.00 175.76 176.09 3hs0 s VAL 858 N -1.25 0.97 0.35 0.00 1.01 -0.44 -4.94 120.40 116.10 3hs0 s VAL 858 Ca 0.38 -1.30 -0.26 0.00 0.00 0.00 0.00 61.98 60.79 3hs0 s VAL 858 Cb -0.21 -1.64 -0.09 0.00 0.00 0.00 0.00 36.38 34.43 3hs0 s VAL 858 CO 0.25 -0.54 1.04 -2.84 0.00 0.00 0.00 175.10 173.01 3hs0 s PRO 859 N 1.59 4.40 -0.10 2.72 0.02 -1.26 -1.81 135.00 140.55 3hs0 s PRO 859 Ca 0.06 1.56 0.00 0.00 0.02 0.00 0.00 61.00 62.64 3hs0 s PRO 859 Cb -0.17 -2.79 0.02 0.00 0.02 0.00 0.00 34.50 31.57 3hs0 s PRO 859 CO -0.19 0.06 -0.08 -0.06 -0.33 0.00 0.00 177.00 176.39 3hs0 s PHE 860 N -1.50 1.45 -0.12 6.54 0.08 0.42 -4.97 117.98 119.88 3hs0 s PHE 860 Ca 0.52 -0.68 -0.17 0.00 0.12 0.00 0.00 56.93 56.72 3hs0 s PHE 860 Cb -0.24 -1.18 -0.04 0.00 -0.57 0.00 0.00 43.02 40.98 3hs0 s PHE 860 CO 0.31 -0.46 0.44 0.08 -0.10 0.00 0.00 175.22 175.48 3hs0 s VAL 861 N 1.53 5.21 0.06 -0.44 1.01 -1.26 -0.87 120.40 125.63 3hs0 s VAL 861 Ca 0.01 0.87 -0.06 0.00 0.00 0.00 0.00 61.98 62.80 3hs0 s VAL 861 Cb -0.13 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 3hs0 s VAL 861 CO -0.06 0.34 0.11 0.27 0.00 0.00 0.00 175.10 175.76 3hs0 s ILE 862 N 0.55 0.15 -0.29 2.22 -4.36 -0.85 -4.34 121.20 114.29 3hs0 s ILE 862 Ca 0.24 -1.26 0.01 0.00 -0.26 0.00 0.00 60.65 59.37 3hs0 s ILE 862 Cb -0.15 -1.19 0.09 0.00 1.25 0.00 0.00 42.46 42.46 3hs0 s ILE 862 CO 0.09 -0.70 0.04 -0.69 0.24 0.00 0.00 174.94 173.92 3hs0 s VAL 863 N -3.33 1.37 0.17 8.37 1.01 0.25 -1.62 120.40 126.62 3hs0 s VAL 863 Ca 0.01 -1.52 -0.32 0.00 0.00 0.00 0.00 61.98 60.15 3hs0 s VAL 863 Cb 0.03 -1.91 -0.12 0.00 0.00 0.00 0.00 36.38 34.38 3hs0 s VAL 863 CO -0.08 -0.46 1.73 -2.65 0.00 0.00 0.00 175.10 173.63 3hs0 n PRO 864 N 4.67 2.62 -0.01 2.72 -0.02 -1.26 -1.38 135.00 142.34 3hs0 n PRO 864 Ca -0.04 0.95 0.05 0.00 -2.02 0.00 0.00 63.50 62.44 3hs0 n PRO 864 Cb 0.43 -2.79 -0.08 0.00 -0.02 0.00 0.00 33.50 31.04 3hs0 n PRO 864 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3hs0 n LEU 865 N 4.36 0.00 -4.35 2.45 4.77 0.91 -0.25 117.00 124.89 3hs0 n LEU 865 Ca 0.17 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.86 3hs0 n LEU 865 Cb 0.34 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.30 3hs0 n LEU 865 CO 0.65 0.00 -0.56 -1.61 -1.33 0.00 0.00 177.39 174.54 3hs0 s GLU 866 N -2.72 1.50 0.60 3.23 2.02 -1.22 -4.85 118.70 117.26 3hs0 s GLU 866 Ca -0.04 -1.22 -0.15 0.00 0.02 0.00 0.00 54.97 53.59 3hs0 s GLU 866 Cb 0.07 -1.84 -0.03 0.00 0.10 0.00 0.00 34.13 32.42 3hs0 s GLU 866 CO 0.43 0.45 1.04 -1.14 0.02 0.00 0.00 175.26 176.07 3hs0 s GLN 867 N -1.70 3.36 0.00 1.61 0.74 -1.26 -4.81 119.66 117.59 3hs0 s GLN 867 Ca 0.12 1.10 0.00 0.00 0.05 0.00 0.00 55.36 56.63 3hs0 s GLN 867 Cb -0.10 -2.04 0.00 0.00 1.10 0.00 0.00 33.01 31.97 3hs0 s GLN 867 CO 0.04 -0.77 0.00 0.41 -0.55 0.00 0.00 175.29 174.42 3hs0 n GLY 868 N -1.34 -0.19 3.65 2.59 0.00 0.62 -4.92 105.19 105.60 3hs0 n GLY 868 Ca 0.08 -2.22 -0.36 0.00 0.00 0.00 0.00 46.02 43.52 3hs0 n GLY 868 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hs0 s LEU 869 N 0.00 4.03 -0.00 0.99 1.43 -1.26 0.63 118.68 124.49 3hs0 s LEU 869 Ca 0.00 0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.22 3hs0 s LEU 869 Cb 0.00 -2.06 -0.00 0.00 0.03 0.00 0.00 46.19 44.15 3hs0 s LEU 869 CO 0.00 0.10 -0.06 -1.00 0.23 0.00 0.00 176.35 175.62 3hs0 s HIS 870 N 0.87 0.51 0.00 0.29 3.76 -0.85 -4.89 115.29 114.98 3hs0 s HIS 870 Ca 0.07 -0.10 -0.30 0.00 -0.15 0.00 0.00 55.06 54.58 3hs0 s HIS 870 Cb -0.13 -0.33 -0.04 0.00 1.11 0.00 0.00 32.58 33.19 3hs0 s HIS 870 CO 0.03 -0.01 1.06 -0.51 -0.85 0.00 0.00 174.74 174.46 3hs0 s ASP 871 N -0.12 7.25 -0.24 1.40 1.11 -1.26 -0.56 116.67 124.25 3hs0 s ASP 871 Ca 0.02 1.76 -0.08 0.00 0.18 0.00 0.00 52.55 54.43 3hs0 s ASP 871 Cb -0.02 -2.57 -0.03 0.00 1.07 0.00 0.00 42.92 41.36 3hs0 s ASP 871 CO -0.00 -0.36 0.08 -0.69 1.18 0.00 0.00 175.17 175.38 3hs0 s VAL 872 N 1.22 4.49 -0.12 -1.27 1.01 0.26 -4.93 120.40 121.06 3hs0 s VAL 872 Ca 0.54 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.42 3hs0 s VAL 872 Cb -0.23 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.07 3hs0 s VAL 872 CO 0.27 0.35 -0.17 -0.70 0.00 0.00 0.00 175.10 174.84 3hs0 s GLU 873 N 1.41 2.50 -0.04 2.72 2.12 -1.26 -1.37 118.70 124.77 3hs0 s GLU 873 Ca 0.06 -0.66 0.06 0.00 0.36 0.00 0.00 54.97 54.79 3hs0 s GLU 873 Cb -0.15 -2.10 -0.01 0.00 0.26 0.00 0.00 34.13 32.13 3hs0 s GLU 873 CO 0.04 -0.07 -0.24 0.42 -0.54 0.00 0.00 175.26 174.88 3hs0 s ILE 874 N 0.98 1.93 -0.00 -3.70 1.01 -0.21 -1.62 121.20 119.58 3hs0 s ILE 874 Ca -0.05 -1.01 0.05 0.00 0.00 0.00 0.00 60.65 59.63 3hs0 s ILE 874 Cb -0.15 -1.62 -0.01 0.00 0.01 0.00 0.00 42.46 40.69 3hs0 s ILE 874 CO -0.03 0.54 -0.14 -0.54 0.00 0.00 0.00 174.94 174.77 3hs0 s LYS 875 N -0.27 1.13 0.04 2.79 1.02 -0.99 -1.17 119.74 122.29 3hs0 s LYS 875 Ca 0.01 -0.55 0.01 0.00 0.02 0.00 0.00 55.97 55.46 3hs0 s LYS 875 Cb -0.12 -1.10 -0.03 0.00 -0.52 0.00 0.00 37.83 36.06 3hs0 s LYS 875 CO 0.02 0.30 -0.06 0.00 -0.92 0.00 0.00 175.35 174.69 3hs0 s ALA 876 N -0.41 0.45 -0.06 5.17 0.00 0.29 -1.53 121.76 125.67 3hs0 s ALA 876 Ca 0.05 -0.79 -0.11 0.00 0.00 0.00 0.00 51.96 51.11 3hs0 s ALA 876 Cb -0.06 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.19 3hs0 s ALA 876 CO -0.00 -0.12 0.27 0.45 0.00 0.00 0.00 175.76 176.36 3hs0 s SER 877 N -1.78 -0.21 -0.04 0.00 0.15 -0.95 -1.24 113.70 109.64 3hs0 s SER 877 Ca -0.09 0.28 -0.14 0.00 0.70 0.00 0.00 55.95 56.71 3hs0 s SER 877 Cb -0.07 0.43 -0.05 0.00 -1.71 0.00 0.00 66.02 64.62 3hs0 s SER 877 CO -0.01 -0.25 0.36 -0.69 1.20 0.00 0.00 173.24 173.84 3hs0 s VAL 878 N -0.57 5.15 0.51 4.45 1.01 0.12 -1.59 120.40 129.47 3hs0 s VAL 878 Ca -0.07 0.72 -0.22 0.00 0.00 0.00 0.00 61.98 62.41 3hs0 s VAL 878 Cb -0.04 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.62 3hs0 s VAL 878 CO 0.02 0.55 1.21 -1.58 0.00 0.00 0.00 175.10 175.30 3hs0 s GLN 879 N -0.78 3.45 -1.77 2.72 0.74 0.11 -3.48 119.66 120.65 3hs0 s GLN 879 Ca 0.22 1.87 -0.21 0.00 0.05 0.00 0.00 55.36 57.29 3hs0 s GLN 879 Cb -0.15 -2.25 0.19 0.00 1.10 0.00 0.00 33.01 31.89 3hs0 s GLN 879 CO 0.11 -0.83 0.72 0.39 -0.55 0.00 0.00 175.29 175.12 3hs0 n GLU 880 N -0.87 -2.28 -3.85 1.67 1.02 -0.58 -4.82 120.64 110.93 3hs0 n GLU 880 Ca 0.09 0.29 -0.08 0.00 -0.02 0.00 0.00 57.16 57.44 3hs0 n GLU 880 Cb 0.48 -4.97 -0.01 0.00 -0.02 0.00 0.00 31.44 26.92 3hs0 n GLU 880 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hs0 s ALA 881 N -3.26 -1.00 -0.39 0.62 0.00 -1.23 -5.05 121.76 111.46 3hs0 s ALA 881 Ca 0.78 -0.50 0.06 0.00 0.00 0.00 0.00 51.96 52.30 3hs0 s ALA 881 Cb -0.44 0.80 0.65 0.00 0.00 0.00 0.00 23.12 24.13 3hs0 s ALA 881 CO 0.96 -1.01 1.80 1.28 0.00 0.00 0.00 175.76 178.78 3hs0 n LEU 882 N -0.48 6.18 -4.50 0.00 4.77 -1.26 -4.74 117.00 116.96 3hs0 n LEU 882 Ca -0.05 -3.26 -0.39 0.00 -0.03 0.00 0.00 56.01 52.27 3hs0 n LEU 882 Cb 0.59 -0.78 -0.11 0.00 -2.33 0.00 0.00 43.42 40.80 3hs0 n LEU 882 CO 0.19 0.91 -0.16 0.26 -1.33 0.00 0.00 177.39 177.26 3hs0 s TRP 883 N -2.93 3.21 0.03 -1.77 0.51 -1.26 -5.04 118.94 111.70 3hs0 s TRP 883 Ca 0.52 -0.34 -0.00 0.00 -2.12 0.00 0.00 56.10 54.16 3hs0 s TRP 883 Cb 0.43 -2.42 -0.03 0.00 -0.81 0.00 0.00 33.47 30.64 3hs0 s TRP 883 CO 0.11 -0.39 -0.04 -1.54 -0.51 0.00 0.00 176.95 174.59 3hs0 s SER 884 N 1.68 0.39 -0.14 2.95 1.04 -1.26 -0.71 113.70 117.66 3hs0 s SER 884 Ca 0.06 -0.66 -0.19 0.00 0.48 0.00 0.00 55.95 55.63 3hs0 s SER 884 Cb -0.17 0.12 0.05 0.00 0.10 0.00 0.00 66.02 66.12 3hs0 s SER 884 CO 0.09 -0.38 0.50 -0.62 0.98 0.00 0.00 173.24 173.81 3hs0 s ASP 885 N -1.93 -0.49 0.04 7.02 2.15 -0.37 -4.92 116.67 118.17 3hs0 s ASP 885 Ca -0.08 0.81 0.04 0.00 0.43 0.00 0.00 52.55 53.74 3hs0 s ASP 885 Cb -0.04 0.83 -0.02 0.00 -0.30 0.00 0.00 42.92 43.38 3hs0 s ASP 885 CO -0.03 -0.30 -0.11 -0.83 -0.17 0.00 0.00 175.17 173.72 3hs0 s GLY 886 N -0.27 0.66 -0.03 2.66 0.00 -1.26 -0.55 107.32 108.53 3hs0 s GLY 886 Ca -0.04 -0.77 0.02 0.00 0.00 0.00 0.00 44.72 43.92 3hs0 s GLY 886 CO 0.03 -0.78 -0.07 0.14 0.00 0.00 0.00 173.10 172.42 3hs0 s VAL 887 N -1.01 0.69 -0.26 1.40 1.01 -0.31 -0.44 120.40 121.47 3hs0 s VAL 887 Ca -0.03 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.69 3hs0 s VAL 887 Cb -0.08 -0.65 0.07 0.00 0.00 0.00 0.00 36.38 35.72 3hs0 s VAL 887 CO 0.01 0.24 -0.01 -0.60 0.00 0.00 0.00 175.10 174.73 3hs0 s ARG 888 N 0.46 1.47 0.17 2.72 3.52 -0.35 -1.05 118.95 125.90 3hs0 s ARG 888 Ca -0.07 -1.16 0.09 0.00 -0.13 0.00 0.00 55.73 54.46 3hs0 s ARG 888 Cb -0.11 -2.61 -0.04 0.00 -1.56 0.00 0.00 34.95 30.63 3hs0 s ARG 888 CO 0.01 -0.72 -0.12 0.15 -0.81 0.00 0.00 175.30 173.81 3hs0 s LYS 889 N 1.34 1.98 -0.05 5.12 1.02 -0.47 -4.52 119.74 124.16 3hs0 s LYS 889 Ca -0.01 -1.27 -0.18 0.00 0.02 0.00 0.00 55.97 54.54 3hs0 s LYS 889 Cb -0.19 -2.13 -0.05 0.00 -0.52 0.00 0.00 37.83 34.94 3hs0 s LYS 889 CO -0.09 0.44 0.48 0.15 -0.92 0.00 0.00 175.35 175.41 3hs0 s LYS 890 N -2.70 4.20 -0.27 1.68 1.02 -1.26 -0.58 119.74 121.83 3hs0 s LYS 890 Ca 0.23 0.50 -0.04 0.00 0.02 0.00 0.00 55.97 56.69 3hs0 s LYS 890 Cb -0.09 -3.34 0.02 0.00 -0.52 0.00 0.00 37.83 33.90 3hs0 s LYS 890 CO 0.14 0.39 -0.00 -1.17 -0.92 0.00 0.00 175.35 173.79 3hs0 s LEU 891 N -0.15 3.53 -0.10 3.17 2.96 0.27 -4.89 118.68 123.48 3hs0 s LEU 891 Ca 0.26 -0.87 -0.30 0.00 -0.22 0.00 0.00 54.13 53.00 3hs0 s LEU 891 Cb -0.16 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.75 3hs0 s LEU 891 CO 0.13 -0.17 1.18 -0.75 -1.32 0.00 0.00 176.35 175.42 3hs0 s LYS 892 N 1.38 4.33 -0.27 1.98 2.20 -1.26 -2.00 119.74 126.09 3hs0 s LYS 892 Ca 0.00 1.62 0.01 0.00 -0.36 0.00 0.00 55.97 57.25 3hs0 s LYS 892 Cb -0.17 -3.61 0.06 0.00 -1.51 0.00 0.00 37.83 32.60 3hs0 s LYS 892 CO -0.02 -0.50 -0.07 0.08 -0.36 0.00 0.00 175.35 174.48 3hs0 s VAL 893 N 2.54 2.44 0.27 4.02 1.01 0.20 -1.48 120.40 129.41 3hs0 s VAL 893 Ca 0.54 -1.57 -0.01 0.00 0.00 0.00 0.00 61.98 60.94 3hs0 s VAL 893 Cb -0.23 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 3hs0 s VAL 893 CO 0.19 -0.07 0.48 0.68 0.00 0.00 0.00 175.10 176.38 3hs0 s VAL 894 N 1.15 5.13 0.84 2.92 -7.23 -0.83 -0.28 120.40 122.10 3hs0 s VAL 894 Ca -0.07 -0.31 -0.12 0.00 -1.81 0.00 0.00 61.98 59.67 3hs0 s VAL 894 Cb -0.20 -3.78 0.10 0.00 0.56 0.00 0.00 36.38 33.06 3hs0 s VAL 894 CO -0.04 -0.34 1.12 -2.84 -0.31 0.00 0.00 175.10 172.69 3hs0 s PRO 895 N -3.71 1.69 0.72 4.82 0.02 -1.26 -0.98 135.00 136.30 3hs0 s PRO 895 Ca 0.40 0.47 -0.14 0.00 0.02 0.00 0.00 61.00 61.75 3hs0 s PRO 895 Cb -0.10 -1.89 0.03 0.00 0.02 0.00 0.00 34.50 32.56 3hs0 s PRO 895 CO 0.31 -1.85 1.15 -1.83 -0.33 0.00 0.00 177.00 174.45 3hs0 s GLU 896 N -5.22 2.32 0.00 5.54 1.03 -1.26 -4.64 118.70 116.47 3hs0 s GLU 896 Ca 0.62 1.54 0.00 0.00 0.03 0.00 0.00 54.97 57.16 3hs0 s GLU 896 Cb -0.14 -1.88 0.00 0.00 -0.80 0.00 0.00 34.13 31.31 3hs0 s GLU 896 CO 0.54 -1.65 0.00 0.41 -1.33 0.00 0.00 175.26 173.23 3hs0 n GLY 897 N -0.13 -1.93 3.26 -3.83 0.00 -1.26 -5.00 105.19 96.30 3hs0 n GLY 897 Ca 0.12 -2.13 -0.32 0.00 0.00 0.00 0.00 46.02 43.69 3hs0 n GLY 897 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hs0 s VAL 898 N -0.34 2.05 -0.20 1.61 1.01 -1.26 -5.10 120.40 118.17 3hs0 s VAL 898 Ca 0.00 -1.06 -0.29 0.00 0.00 0.00 0.00 61.98 60.63 3hs0 s VAL 898 Cb 0.00 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 3hs0 s VAL 898 CO 0.00 0.57 1.26 -1.58 0.00 0.00 0.00 175.10 175.35 3hs0 s GLN 899 N -0.06 4.16 0.50 2.72 0.74 -1.26 -5.02 119.66 121.44 3hs0 s GLN 899 Ca -0.07 1.55 0.05 0.00 0.05 0.00 0.00 55.36 56.94 3hs0 s GLN 899 Cb -0.15 -3.79 0.00 0.00 1.10 0.00 0.00 33.01 30.18 3hs0 s GLN 899 CO 0.05 -0.80 0.27 0.15 -0.55 0.00 0.00 175.29 174.41 3hs0 s LYS 900 N 3.65 2.25 -0.15 1.67 1.02 -1.26 -5.16 119.74 121.76 3hs0 s LYS 900 Ca 0.55 -2.03 -0.12 0.00 0.02 0.00 0.00 55.97 54.39 3hs0 s LYS 900 Cb -0.20 -1.97 0.05 0.00 -0.52 0.00 0.00 37.83 35.18 3hs0 s LYS 900 CO 0.16 -0.43 0.39 -1.54 -0.92 0.00 0.00 175.35 173.01 3hs0 s SER 901 N -4.11 -0.44 -0.07 2.83 1.04 -1.26 -5.13 113.70 106.56 3hs0 s SER 901 Ca 0.31 0.81 -0.12 0.00 0.48 0.00 0.00 55.95 57.42 3hs0 s SER 901 Cb -0.00 0.77 -0.05 0.00 0.10 0.00 0.00 66.02 66.84 3hs0 s SER 901 CO 0.18 -0.16 0.31 -0.63 0.98 0.00 0.00 173.24 173.92 3hs0 s ILE 902 N 0.64 5.23 -0.24 -1.02 1.01 -1.26 -5.08 121.20 120.48 3hs0 s ILE 902 Ca -0.04 0.60 0.00 0.00 0.00 0.00 0.00 60.65 61.21 3hs0 s ILE 902 Cb -0.05 -3.61 0.04 0.00 0.01 0.00 0.00 42.46 38.85 3hs0 s ILE 902 CO -0.04 0.55 -0.10 -0.69 0.00 0.00 0.00 174.94 174.66 3hs0 s VAL 903 N -0.70 2.52 -0.14 2.92 1.01 -1.26 -5.09 120.40 119.65 3hs0 s VAL 903 Ca 0.20 -1.21 -0.04 0.00 0.00 0.00 0.00 61.98 60.92 3hs0 s VAL 903 Cb -0.14 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 3hs0 s VAL 903 CO 0.09 0.18 0.01 -0.89 0.00 0.00 0.00 175.10 174.49 3hs0 s THR 904 N 1.25 4.36 -0.07 3.92 2.01 -1.26 -5.11 115.64 120.73 3hs0 s THR 904 Ca -0.02 -0.20 0.02 0.00 0.31 0.00 0.00 61.69 61.80 3hs0 s THR 904 Cb -0.17 -2.90 -0.02 0.00 0.01 0.00 0.00 72.50 69.41 3hs0 s THR 904 CO -0.06 0.52 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.63 3hs0 s ILE 905 N -0.06 3.14 -0.05 1.82 -1.09 -1.26 -5.11 121.20 118.59 3hs0 s ILE 905 Ca 0.04 -0.68 0.02 0.00 -2.23 0.00 0.00 60.65 57.80 3hs0 s ILE 905 Cb -0.13 -2.26 0.02 0.00 -1.58 0.00 0.00 42.46 38.51 3hs0 s ILE 905 CO 0.02 0.57 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.54 3hs0 s VAL 906 N -0.44 0.71 -0.32 2.92 1.01 -1.26 -5.12 120.40 117.89 3hs0 s VAL 906 Ca 0.06 -0.24 -0.20 0.00 0.00 0.00 0.00 61.98 61.60 3hs0 s VAL 906 Cb -0.12 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 3hs0 s VAL 906 CO 0.02 0.26 0.61 -0.54 0.00 0.00 0.00 175.10 175.44 3hs0 s LYS 907 N 0.73 3.83 -0.41 2.72 -0.14 -1.26 -5.04 119.74 120.17 3hs0 s LYS 907 Ca -0.11 0.19 -0.19 0.00 -1.36 0.00 0.00 55.97 54.49 3hs0 s LYS 907 Cb -0.14 -3.75 0.02 0.00 -1.68 0.00 0.00 37.83 32.28 3hs0 s LYS 907 CO 0.01 -0.60 0.57 -0.51 -0.76 0.00 0.00 175.35 174.05 3hs0 s LEU 908 N 2.59 4.54 -0.41 3.17 1.43 -1.26 -4.97 118.68 123.77 3hs0 s LEU 908 Ca 0.24 -0.33 0.04 0.00 -1.03 0.00 0.00 54.13 53.05 3hs0 s LEU 908 Cb -0.15 -2.62 0.16 0.00 0.03 0.00 0.00 46.19 43.62 3hs0 s LEU 908 CO 0.13 -0.66 0.42 -0.62 0.23 0.00 0.00 176.35 175.84 3hs0 s ASP 909 N 1.89 0.88 0.21 2.29 2.15 -1.26 -5.01 116.67 117.83 3hs0 s ASP 909 Ca 0.19 -2.08 -0.06 0.00 0.43 0.00 0.00 52.55 51.03 3hs0 s ASP 909 Cb -0.15 0.45 0.17 0.00 -0.30 0.00 0.00 42.92 43.09 3hs0 s ASP 909 CO 0.16 -0.20 1.69 -0.65 -0.17 0.00 0.00 175.17 176.01 3hs0 h PRO 910 N 6.29 0.99 -0.08 4.34 0.11 -1.91 -2.56 132.00 139.17 3hs0 h PRO 910 Ca 0.12 -0.29 0.02 0.00 0.11 0.00 0.00 66.00 65.96 3hs0 h PRO 910 Cb 1.02 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 3hs0 h PRO 910 CO 0.22 0.96 0.11 -0.09 -0.21 0.00 0.00 178.00 178.99 3hs0 h ARG 911 N 0.92 0.00 0.00 1.05 9.65 -1.88 -1.65 114.38 122.47 3hs0 h ARG 911 Ca 0.17 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 3hs0 h ARG 911 Cb 0.50 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.08 3hs0 h ARG 911 CO 0.02 0.00 0.00 0.00 2.80 0.00 0.00 179.97 182.79 3hs0 n ALA 912 N -2.26 1.67 -0.81 2.80 0.00 -0.97 -2.16 120.51 118.79 3hs0 n ALA 912 Ca -0.01 -0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.45 3hs0 n ALA 912 Cb 0.21 -1.12 0.08 0.00 0.00 0.00 0.00 19.45 18.62 3hs0 n ALA 912 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hs0 n LYS 913 N -1.13 1.67 0.00 0.00 5.02 -0.62 -5.10 118.16 118.01 3hs0 n LYS 913 Ca 0.05 -2.07 0.00 0.00 -2.02 0.00 0.00 58.31 54.27 3hs0 n LYS 913 Cb 0.04 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 3hs0 n LYS 913 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hs0 n GLY 914 N -1.00 1.81 0.13 0.72 0.00 -0.92 -4.58 105.19 101.35 3hs0 n GLY 914 Ca 0.09 -2.18 -0.07 0.00 0.00 0.00 0.00 46.02 43.86 3hs0 n GLY 914 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3hs0 h VAL 915 N 0.00 0.76 -0.09 1.61 -1.51 -1.93 -2.87 116.25 112.22 3hs0 h VAL 915 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 3hs0 h VAL 915 Cb 0.00 0.70 0.00 0.00 -2.13 0.00 0.00 31.29 29.86 3hs0 h VAL 915 CO 0.00 0.01 0.00 0.61 -1.23 0.00 0.00 177.57 176.96 3hs0 n GLY 916 N -1.23 -0.55 0.00 5.19 0.00 -1.26 -4.96 105.19 102.37 3hs0 n GLY 916 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3hs0 n GLY 916 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hs0 n GLY 917 N 0.72 0.00 3.13 -0.02 0.00 -1.09 -5.06 105.19 102.88 3hs0 n GLY 917 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 3hs0 n GLY 917 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hs0 s THR 918 N 0.00 1.21 -0.11 2.61 2.01 -1.26 -4.82 115.64 115.28 3hs0 s THR 918 Ca 0.00 -0.69 -0.02 0.00 0.31 0.00 0.00 61.69 61.30 3hs0 s THR 918 Cb 0.00 -1.02 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 3hs0 s THR 918 CO 0.00 0.32 -0.05 -1.10 -0.69 0.00 0.00 174.62 173.10 3hs0 s GLN 919 N -0.43 3.19 -0.19 4.92 -0.21 -1.26 -4.92 119.66 120.76 3hs0 s GLN 919 Ca 0.06 -0.52 0.01 0.00 0.02 0.00 0.00 55.36 54.93 3hs0 s GLN 919 Cb -0.06 -2.76 0.03 0.00 1.00 0.00 0.00 33.01 31.22 3hs0 s GLN 919 CO -0.00 0.48 -0.15 -1.17 -2.12 0.00 0.00 175.29 172.33 3hs0 s LEU 920 N -0.30 2.25 -0.23 2.90 0.20 -1.26 -5.06 118.68 117.19 3hs0 s LEU 920 Ca 0.05 -0.79 -0.03 0.00 0.69 0.00 0.00 54.13 54.06 3hs0 s LEU 920 Cb -0.13 -1.35 0.01 0.00 -0.43 0.00 0.00 46.19 44.29 3hs0 s LEU 920 CO 0.02 -0.08 -0.07 -1.61 -0.29 0.00 0.00 176.35 174.33 3hs0 s GLU 921 N 1.34 3.13 -0.48 1.98 0.41 -1.26 -5.07 118.70 118.75 3hs0 s GLU 921 Ca 0.01 -0.78 -0.15 0.00 -0.41 0.00 0.00 54.97 53.64 3hs0 s GLU 921 Cb -0.15 -2.95 0.08 0.00 -1.78 0.00 0.00 34.13 29.33 3hs0 s GLU 921 CO -0.10 -0.28 0.41 0.08 -0.49 0.00 0.00 175.26 174.88 3hs0 s VAL 922 N 1.40 5.22 -0.45 2.63 1.01 -1.26 -5.03 120.40 123.91 3hs0 s VAL 922 Ca 0.04 -1.13 -0.20 0.00 0.00 0.00 0.00 61.98 60.69 3hs0 s VAL 922 Cb -0.15 -4.15 0.03 0.00 0.00 0.00 0.00 36.38 32.11 3hs0 s VAL 922 CO -0.05 -0.62 0.62 -0.63 0.00 0.00 0.00 175.10 174.42 3hs0 s ILE 923 N 1.63 4.86 0.89 2.22 1.09 -1.26 -5.06 121.20 125.58 3hs0 s ILE 923 Ca 0.04 -0.08 -0.13 0.00 -1.10 0.00 0.00 60.65 59.39 3hs0 s ILE 923 Cb -0.25 -4.21 0.13 0.00 -1.06 0.00 0.00 42.46 37.07 3hs0 s ILE 923 CO 0.06 -0.63 1.16 -0.54 -0.10 0.00 0.00 174.94 174.90 3hs0 s LYS 924 N 2.71 1.31 0.09 2.79 1.02 -1.26 -4.94 119.74 121.46 3hs0 s LYS 924 Ca 0.20 0.18 -0.35 0.00 0.02 0.00 0.00 55.97 56.01 3hs0 s LYS 924 Cb -0.15 -1.87 -0.15 0.00 -0.52 0.00 0.00 37.83 35.14 3hs0 s LYS 924 CO 0.17 -2.06 1.51 0.00 -0.92 0.00 0.00 175.35 174.05 3hs0 n ALA 925 N -3.65 0.31 -1.77 5.17 0.00 -1.26 -4.91 120.51 114.40 3hs0 n ALA 925 Ca 0.08 0.46 -0.38 0.00 0.00 0.00 0.00 53.44 53.60 3hs0 n ALA 925 Cb 0.60 -2.24 -0.04 0.00 0.00 0.00 0.00 19.45 17.76 3hs0 n ALA 925 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hs0 s ARG 926 N 1.07 4.37 -0.13 0.00 3.00 -1.26 -5.01 118.95 120.99 3hs0 s ARG 926 Ca 0.83 1.62 -0.26 0.00 0.00 0.00 0.00 55.73 57.92 3hs0 s ARG 926 Cb -0.81 -2.81 -0.02 0.00 0.00 0.00 0.00 34.95 31.31 3hs0 s ARG 926 CO 0.44 0.02 0.84 0.15 0.00 0.00 0.00 175.30 176.74 3hs0 s LYS 927 N -2.05 4.36 -0.45 3.54 1.02 -1.26 -4.97 119.74 119.92 3hs0 s LYS 927 Ca 0.52 1.07 0.07 0.00 0.02 0.00 0.00 55.97 57.64 3hs0 s LYS 927 Cb -0.26 -3.54 0.25 0.00 -0.52 0.00 0.00 37.83 33.77 3hs0 s LYS 927 CO 0.33 -0.23 0.78 1.47 -0.92 0.00 0.00 175.35 176.78 3hs0 n LEU 928 N 4.83 -1.73 -1.86 3.17 -0.00 -1.26 -5.02 117.00 115.13 3hs0 n LEU 928 Ca 0.04 -3.85 -0.13 0.00 -0.00 0.00 0.00 56.01 52.07 3hs0 n LEU 928 Cb 0.49 0.78 0.17 0.00 -0.00 0.00 0.00 43.42 44.86 3hs0 n LEU 928 CO 0.49 2.04 1.02 -0.67 -0.00 0.00 0.00 177.39 180.27 3hs0 n ASP 929 N 1.43 3.78 0.01 1.45 2.03 -1.26 -2.95 116.55 121.03 3hs0 n ASP 929 Ca 0.13 -3.12 0.11 0.00 0.52 0.00 0.00 54.79 52.44 3hs0 n ASP 929 Cb 0.60 -0.73 0.05 0.00 -0.72 0.00 0.00 41.12 40.32 3hs0 n ASP 929 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3hs0 n ASP 930 N -0.50 0.71 -4.68 1.67 9.92 -1.26 -5.01 116.55 117.40 3hs0 n ASP 930 Ca 0.41 -0.54 -0.42 0.00 -0.53 0.00 0.00 54.79 53.71 3hs0 n ASP 930 Cb 1.31 0.68 -0.03 0.00 -0.64 0.00 0.00 41.12 42.44 3hs0 n ASP 930 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 3hs0 s ARG 931 N -3.05 4.15 0.03 -1.24 3.52 -1.15 -4.92 118.95 116.30 3hs0 s ARG 931 Ca 0.08 2.51 -0.34 0.00 -0.13 0.00 0.00 55.73 57.85 3hs0 s ARG 931 Cb 0.16 -3.75 -0.12 0.00 -1.56 0.00 0.00 34.95 29.68 3hs0 s ARG 931 CO 0.79 -0.84 1.76 0.28 -0.81 0.00 0.00 175.30 176.48 3hs0 n VAL 932 N 4.96 0.34 -2.12 7.11 0.31 -1.26 -4.92 118.33 122.74 3hs0 n VAL 932 Ca 0.18 -0.06 -0.39 0.00 -0.01 0.00 0.00 64.34 64.06 3hs0 n VAL 932 Cb 0.40 -1.78 -0.01 0.00 -0.91 0.00 0.00 33.84 31.54 3hs0 n VAL 932 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3hs0 s PRO 933 N 2.71 3.91 0.00 5.55 0.02 -1.26 -3.78 135.00 142.15 3hs0 s PRO 933 Ca 0.86 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.91 3hs0 s PRO 933 Cb -0.66 -2.66 0.00 0.00 0.02 0.00 0.00 34.50 31.20 3hs0 s PRO 933 CO 0.45 -0.50 0.00 -3.47 -0.33 0.00 0.00 177.00 173.15 3hs0 n ASP 934 N -0.03 -2.77 -4.73 2.53 2.03 -1.26 -5.05 116.55 107.26 3hs0 n ASP 934 Ca 0.05 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.13 3hs0 n ASP 934 Cb 0.45 -0.50 -0.06 0.00 -0.72 0.00 0.00 41.12 40.29 3hs0 n ASP 934 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3hs0 s THR 935 N -2.00 3.52 0.27 5.18 -4.23 -1.25 -5.10 115.64 112.02 3hs0 s THR 935 Ca 0.00 -1.68 -0.29 0.00 -1.18 0.00 0.00 61.69 58.54 3hs0 s THR 935 Cb 0.00 -3.04 -0.09 0.00 1.34 0.00 0.00 72.50 70.71 3hs0 s THR 935 CO 0.00 -0.28 1.14 -1.61 -0.54 0.00 0.00 174.62 173.33 3hs0 s GLU 936 N -3.80 4.58 -0.08 3.99 2.02 -1.26 -5.05 118.70 119.10 3hs0 s GLU 936 Ca 0.35 1.87 0.00 0.00 0.02 0.00 0.00 54.97 57.21 3hs0 s GLU 936 Cb -0.05 -3.18 -0.03 0.00 0.10 0.00 0.00 34.13 30.96 3hs0 s GLU 936 CO 0.23 0.11 -0.07 0.42 0.02 0.00 0.00 175.26 175.97 3hs0 s ILE 937 N -0.96 3.68 -0.06 -1.63 1.01 -1.26 -5.12 121.20 116.86 3hs0 s ILE 937 Ca 0.46 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.65 3hs0 s ILE 937 Cb -0.33 -2.52 0.02 0.00 0.01 0.00 0.00 42.46 39.64 3hs0 s ILE 937 CO 0.42 0.58 -0.08 -0.70 0.00 0.00 0.00 174.94 175.16 3hs0 s GLU 938 N -0.59 1.24 -0.13 2.79 2.12 -1.26 -5.13 118.70 117.74 3hs0 s GLU 938 Ca 0.09 -0.23 -0.00 0.00 0.36 0.00 0.00 54.97 55.18 3hs0 s GLU 938 Cb -0.12 -1.15 -0.02 0.00 0.26 0.00 0.00 34.13 33.11 3hs0 s GLU 938 CO 0.02 -0.07 -0.12 0.99 -0.54 0.00 0.00 175.26 175.54 3hs0 s THR 939 N 0.94 3.12 -0.19 -1.70 2.01 -1.26 -5.11 115.64 113.45 3hs0 s THR 939 Ca -0.10 -0.64 -0.01 0.00 0.31 0.00 0.00 61.69 61.24 3hs0 s THR 939 Cb -0.15 -2.31 0.00 0.00 0.01 0.00 0.00 72.50 70.06 3hs0 s THR 939 CO 0.00 0.53 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.81 3hs0 s LYS 940 N 0.27 3.24 -0.45 4.92 1.02 -1.26 -5.08 119.74 122.41 3hs0 s LYS 940 Ca -0.09 -0.71 -0.13 0.00 0.02 0.00 0.00 55.97 55.06 3hs0 s LYS 940 Cb -0.15 -2.79 0.07 0.00 -0.52 0.00 0.00 37.83 34.44 3hs0 s LYS 940 CO 0.05 -0.13 0.34 0.42 -0.92 0.00 0.00 175.35 175.11 3hs0 s ILE 941 N 1.21 4.85 -0.03 2.17 1.01 -1.26 -5.07 121.20 124.07 3hs0 s ILE 941 Ca 0.02 -1.17 -0.01 0.00 0.00 0.00 0.00 60.65 59.49 3hs0 s ILE 941 Cb -0.14 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 3hs0 s ILE 941 CO -0.05 -0.53 0.08 -0.63 0.00 0.00 0.00 174.94 173.81 3hs0 s ILE 942 N 1.56 4.77 -0.13 2.92 1.09 -1.26 -5.10 121.20 125.05 3hs0 s ILE 942 Ca 0.04 -0.30 -0.00 0.00 -1.10 0.00 0.00 60.65 59.28 3hs0 s ILE 942 Cb -0.24 -3.14 0.02 0.00 -1.06 0.00 0.00 42.46 38.05 3hs0 s ILE 942 CO 0.05 0.42 -0.10 -0.63 -0.10 0.00 0.00 174.94 174.58 3hs0 s ILE 943 N -1.13 1.26 0.02 2.92 -1.09 -1.26 -5.11 121.20 116.82 3hs0 s ILE 943 Ca 0.20 -0.44 0.02 0.00 -2.23 0.00 0.00 60.65 58.21 3hs0 s ILE 943 Cb -0.12 -1.23 -0.04 0.00 -1.58 0.00 0.00 42.46 39.49 3hs0 s ILE 943 CO 0.11 0.41 0.02 -1.10 -1.23 0.00 0.00 174.94 173.14 3hs0 s GLN 944 N 1.61 2.78 0.44 2.79 1.11 -1.26 -5.13 119.66 122.02 3hs0 s GLN 944 Ca 0.05 -0.64 -0.03 0.00 0.01 0.00 0.00 55.36 54.74 3hs0 s GLN 944 Cb -0.13 -2.67 -0.03 0.00 -1.01 0.00 0.00 33.01 29.17 3hs0 s GLN 944 CO -0.09 0.61 0.72 0.20 0.01 0.00 0.00 175.29 176.73 3hs0 s GLY 945 N -1.79 1.45 -0.02 3.09 0.00 -1.26 -5.07 107.32 103.72 3hs0 s GLY 945 Ca 0.22 -0.64 -0.25 0.00 0.00 0.00 0.00 44.72 44.05 3hs0 s GLY 945 CO 0.13 -0.50 0.77 0.99 0.00 0.00 0.00 173.10 174.49 3hs0 s ASP 946 N -4.09 7.12 0.00 1.64 1.11 -1.26 -5.27 116.67 115.92 3hs0 s ASP 946 Ca 0.45 1.35 0.00 0.00 0.18 0.00 0.00 52.55 54.53 3hs0 s ASP 946 Cb -0.10 -2.46 0.00 0.00 1.07 0.00 0.00 42.92 41.43 3hs0 s ASP 946 CO 0.42 -0.10 0.38 -2.65 1.18 0.00 0.00 175.17 174.40