#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wac s VAL 700 N 0.00 1.25 -0.36 2.03 -7.23 -1.26 -5.06 120.40 109.76 2wac s VAL 700 Ca 0.00 -0.89 0.01 0.00 -1.81 0.00 0.00 61.98 59.28 2wac s VAL 700 Cb 0.00 -1.08 0.14 0.00 0.56 0.00 0.00 36.38 36.00 2wac s VAL 700 CO 0.00 0.17 0.24 0.21 -0.31 0.00 0.00 175.10 175.42 2wac s ASN 701 N -0.83 2.61 -0.20 4.85 2.47 -1.26 -5.11 114.94 117.46 2wac s ASN 701 Ca 0.04 -2.18 -0.29 0.00 0.42 0.00 0.00 52.86 50.85 2wac s ASN 701 Cb -0.07 -0.27 -0.01 0.00 -1.45 0.00 0.00 41.25 39.44 2wac s ASN 701 CO 0.01 -0.29 1.31 -0.31 -3.72 0.00 0.00 177.10 174.10 2wac s TYR 702 N 1.04 2.72 -0.16 0.43 2.02 -1.26 -4.44 117.35 117.70 2wac s TYR 702 Ca 0.19 0.91 -0.05 0.00 -0.37 0.00 0.00 57.07 57.75 2wac s TYR 702 Cb -0.20 -3.66 -0.03 0.00 -0.40 0.00 0.00 41.96 37.67 2wac s TYR 702 CO -0.01 -1.88 -0.00 -1.21 -1.57 0.00 0.00 175.55 170.88 2wac s GLU 703 N 3.77 3.72 -0.35 -0.62 2.02 0.87 -4.87 118.70 123.24 2wac s GLU 703 Ca 0.57 -0.46 -0.29 0.00 0.02 0.00 0.00 54.97 54.81 2wac s GLU 703 Cb -0.21 -3.00 0.01 0.00 0.10 0.00 0.00 34.13 31.03 2wac s GLU 703 CO 0.18 0.28 1.25 -0.80 0.02 0.00 0.00 175.26 176.20 2wac s ASN 704 N 0.27 6.65 0.27 -0.19 0.01 -1.26 -0.19 114.94 120.50 2wac s ASN 704 Ca -0.01 0.99 0.05 0.00 -0.71 0.00 0.00 52.86 53.19 2wac s ASN 704 Cb -0.13 -2.54 -0.06 0.00 0.41 0.00 0.00 41.25 38.93 2wac s ASN 704 CO 0.02 -1.13 -0.03 0.68 -1.51 0.00 0.00 177.10 175.13 2wac s VAL 705 N 4.44 1.40 -0.15 1.60 -7.23 -0.59 -0.94 120.40 118.93 2wac s VAL 705 Ca 0.54 -2.08 0.02 0.00 -1.81 0.00 0.00 61.98 58.65 2wac s VAL 705 Cb -0.14 -2.46 0.01 0.00 0.56 0.00 0.00 36.38 34.36 2wac s VAL 705 CO 0.25 -0.27 -0.21 -0.63 -0.31 0.00 0.00 175.10 173.92 2wac s ILE 706 N -3.17 2.04 -0.25 -0.62 1.01 0.28 -1.41 121.20 119.08 2wac s ILE 706 Ca 0.30 -0.95 -0.29 0.00 0.00 0.00 0.00 60.65 59.71 2wac s ILE 706 Cb 0.05 -1.82 -0.00 0.00 0.01 0.00 0.00 42.46 40.70 2wac s ILE 706 CO 0.11 0.54 1.25 -0.69 0.00 0.00 0.00 174.94 176.16 2wac s VAL 707 N 0.99 4.25 -0.39 2.92 1.01 -1.19 -0.88 120.40 127.12 2wac s VAL 707 Ca -0.03 1.46 0.11 0.00 0.00 0.00 0.00 61.98 63.53 2wac s VAL 707 Cb -0.15 -4.13 -0.14 0.00 0.00 0.00 0.00 36.38 31.97 2wac s VAL 707 CO -0.06 -0.34 0.41 0.35 0.00 0.00 0.00 175.10 175.47 2wac n THR 708 N 5.84 0.00 -3.65 3.92 -2.24 0.07 -0.28 114.28 117.94 2wac n THR 708 Ca 0.14 -0.24 -0.14 0.00 -2.27 0.00 0.00 64.05 61.54 2wac n THR 708 Cb 0.46 0.79 -0.08 0.00 -2.10 0.00 0.00 70.33 69.40 2wac n THR 708 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2wac s GLU 709 N -2.26 0.77 -0.11 -0.78 2.56 -1.17 -4.83 118.70 112.88 2wac s GLU 709 Ca 0.02 0.94 0.03 0.00 0.00 0.00 0.00 54.97 55.96 2wac s GLU 709 Cb 0.08 0.37 0.01 0.00 2.00 0.00 0.00 34.13 36.59 2wac s GLU 709 CO 0.46 -0.10 -0.21 0.42 -0.56 0.00 0.00 175.26 175.28 2wac s ILE 710 N 0.41 1.90 0.55 -3.70 1.01 -1.26 -0.24 121.20 119.87 2wac s ILE 710 Ca -0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 60.65 59.72 2wac s ILE 710 Cb -0.05 -1.68 0.02 0.00 0.01 0.00 0.00 42.46 40.77 2wac s ILE 710 CO 0.00 0.52 0.80 0.42 0.00 0.00 0.00 174.94 176.69 2wac s THR 711 N 0.63 3.24 0.31 2.92 -4.23 0.53 -4.99 115.64 114.05 2wac s THR 711 Ca -0.13 -0.41 0.37 0.00 -1.18 0.00 0.00 61.69 60.34 2wac s THR 711 Cb -0.16 -3.25 0.38 0.00 1.34 0.00 0.00 72.50 70.81 2wac s THR 711 CO 0.03 -0.20 2.12 1.05 -0.54 0.00 0.00 174.62 177.08 2wac h GLU 712 N 0.03 0.00 -0.62 3.99 4.11 -2.01 -1.81 114.58 118.27 2wac h GLU 712 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 2wac h GLU 712 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2wac h GLU 712 CO 0.57 0.00 0.00 0.25 0.07 0.00 0.00 179.01 179.90 2wac n THR 713 N -2.88 1.89 -2.16 -1.06 -2.24 -1.26 -4.93 114.28 101.64 2wac n THR 713 Ca -0.02 -1.24 -0.21 0.00 -2.27 0.00 0.00 64.05 60.32 2wac n THR 713 Cb 0.13 0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 2wac n THR 713 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2wac n LEU 714 N 1.02 -1.83 -4.90 3.22 4.77 -0.68 -4.97 117.00 113.64 2wac n LEU 714 Ca 0.25 0.14 -0.28 0.00 -0.03 0.00 0.00 56.01 56.09 2wac n LEU 714 Cb 0.90 -2.93 0.01 0.00 -2.33 0.00 0.00 43.42 39.07 2wac n LEU 714 CO 0.24 -0.48 0.55 0.42 -1.33 0.00 0.00 177.39 176.78 2wac s THR 715 N -2.97 4.54 -0.02 -5.08 -4.23 -1.26 -3.62 115.64 103.00 2wac s THR 715 Ca 0.00 0.34 -0.11 0.00 -1.18 0.00 0.00 61.69 60.75 2wac s THR 715 Cb 0.00 -3.76 0.01 0.00 1.34 0.00 0.00 72.50 70.09 2wac s THR 715 CO 0.00 -0.84 0.23 0.72 -0.54 0.00 0.00 174.62 174.19 2wac s PHE 716 N -2.93 -0.10 -0.12 3.99 -0.71 -0.52 -0.34 117.98 117.24 2wac s PHE 716 Ca 0.51 0.16 -0.09 0.00 -1.04 0.00 0.00 56.93 56.48 2wac s PHE 716 Cb -0.11 0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.69 2wac s PHE 716 CO 0.48 -0.30 0.18 -0.06 -1.34 0.00 0.00 175.22 174.17 2wac s PHE 717 N -1.11 3.58 0.03 3.49 0.08 0.66 -0.39 117.98 124.33 2wac s PHE 717 Ca -0.12 0.56 0.03 0.00 0.12 0.00 0.00 56.93 57.52 2wac s PHE 717 Cb -0.06 -2.04 -0.02 0.00 -0.57 0.00 0.00 43.02 40.34 2wac s PHE 717 CO 0.02 0.63 -0.10 0.00 -0.10 0.00 0.00 175.22 175.68 2wac s ALA 718 N -0.74 0.79 0.09 5.36 0.00 -0.15 -0.75 121.76 126.36 2wac s ALA 718 Ca 0.15 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.46 2wac s ALA 718 Cb -0.12 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 2wac s ALA 718 CO 0.04 0.11 0.09 -0.65 0.00 0.00 0.00 175.76 175.35 2wac s GLN 719 N -1.10 2.91 0.05 0.00 -0.21 -0.06 -1.30 119.66 119.96 2wac s GLN 719 Ca -0.03 -0.70 -0.30 0.00 0.02 0.00 0.00 55.36 54.35 2wac s GLN 719 Cb -0.07 -2.73 -0.04 0.00 1.00 0.00 0.00 33.01 31.16 2wac s GLN 719 CO 0.01 0.56 0.97 0.45 -2.12 0.00 0.00 175.29 175.16 2wac s SER 720 N -2.49 7.43 0.16 5.90 0.15 -1.26 -0.56 113.70 123.03 2wac s SER 720 Ca 0.30 1.72 -0.16 0.00 0.70 0.00 0.00 55.95 58.51 2wac s SER 720 Cb -0.12 -2.58 0.06 0.00 -1.71 0.00 0.00 66.02 61.68 2wac s SER 720 CO 0.22 -0.17 1.75 0.58 1.20 0.00 0.00 173.24 176.83 2wac h VAL 721 N 4.44 0.89 -0.14 4.45 2.07 -1.36 -2.53 116.25 124.07 2wac h VAL 721 Ca -0.42 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.04 2wac h VAL 721 Cb 1.22 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2wac h VAL 721 CO 0.73 0.05 0.10 -0.08 0.02 0.00 0.00 177.57 178.39 2wac h GLU 722 N 0.27 0.05 -0.14 1.57 4.81 -1.94 -0.49 114.58 118.72 2wac h GLU 722 Ca 0.17 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2wac h GLU 722 Cb 0.15 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.51 2wac h GLU 722 CO -0.17 0.03 0.00 0.43 -0.73 0.00 0.00 179.01 178.57 2wac n SER 723 N -4.50 1.26 -0.31 1.04 7.64 -0.96 -4.26 113.62 113.53 2wac n SER 723 Ca 0.00 -1.68 0.02 0.00 1.01 0.00 0.00 58.87 58.22 2wac n SER 723 Cb 0.19 -0.09 0.16 0.00 -1.01 0.00 0.00 64.21 63.46 2wac n SER 723 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2wac h GLY 724 N 5.16 1.32 1.61 0.23 0.00 -0.99 -2.00 103.07 108.41 2wac h GLY 724 Ca 0.00 -0.37 -0.15 0.00 0.00 0.00 0.00 47.33 46.80 2wac h GLY 724 CO 0.00 0.23 -0.58 1.48 0.00 0.00 0.00 176.54 177.67 2wac h SER 725 N 0.94 0.45 -0.52 0.19 4.64 -1.80 -1.29 113.55 116.16 2wac h SER 725 Ca 0.39 -0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 2wac h SER 725 Cb 0.24 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 2wac h SER 725 CO -0.20 0.93 0.29 0.11 -0.87 0.00 0.00 176.83 177.09 2wac h LYS 726 N 0.30 0.72 -0.37 4.77 1.57 -1.68 0.17 116.57 122.05 2wac h LYS 726 Ca -0.00 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 2wac h LYS 726 Cb 1.10 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 2wac h LYS 726 CO 0.10 0.56 -0.04 1.25 -0.57 0.00 0.00 179.45 180.75 2wac h LEU 727 N 0.70 0.68 -0.55 2.94 5.85 -1.36 -0.39 115.31 123.16 2wac h LEU 727 Ca 0.18 -0.33 0.07 0.00 0.84 0.00 0.00 57.88 58.64 2wac h LEU 727 Cb 0.04 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.83 2wac h LEU 727 CO -0.03 0.85 0.24 -0.33 -0.34 0.00 0.00 178.44 178.83 2wac h GLU 728 N 0.49 0.44 -0.21 1.25 5.08 -0.97 0.73 114.58 121.38 2wac h GLU 728 Ca 0.10 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.28 2wac h GLU 728 Cb 0.53 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2wac h GLU 728 CO 0.03 0.29 -0.51 1.03 -1.00 0.00 0.00 179.01 178.84 2wac h SER 729 N 0.45 0.66 0.17 1.42 0.87 -0.60 -1.03 113.55 115.49 2wac h SER 729 Ca 0.26 -0.34 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 2wac h SER 729 Cb 0.24 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2wac h SER 729 CO -0.23 1.05 -0.08 0.25 -0.53 0.00 0.00 176.83 177.30 2wac h LEU 730 N 0.47 -0.19 -1.26 2.23 6.46 -0.73 -1.78 115.31 120.51 2wac h LEU 730 Ca 0.02 -0.11 -0.05 0.00 -0.12 0.00 0.00 57.88 57.62 2wac h LEU 730 Cb 1.06 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 41.02 2wac h LEU 730 CO 0.10 -0.01 -0.06 0.24 -0.62 0.00 0.00 178.44 178.09 2wac h MET 731 N -0.36 0.43 0.34 1.25 2.86 -0.83 -1.41 114.93 117.20 2wac h MET 731 Ca -0.02 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 2wac h MET 731 Cb 0.28 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.89 2wac h MET 731 CO 0.04 0.51 -0.16 1.03 1.06 0.00 0.00 176.91 179.38 2wac h SER 732 N 0.41 -0.38 0.22 1.22 0.87 -1.16 -2.68 113.55 112.05 2wac h SER 732 Ca 0.09 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2wac h SER 732 Cb 0.37 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2wac h SER 732 CO 0.02 -0.02 -0.00 2.29 -0.53 0.00 0.00 176.83 178.59 2wac n LYS 733 N -5.15 0.79 -0.06 2.24 2.85 -0.67 -2.33 118.16 115.83 2wac n LYS 733 Ca -0.10 -0.01 -0.12 0.00 -1.05 0.00 0.00 58.31 57.03 2wac n LYS 733 Cb 0.27 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 33.01 2wac n LYS 733 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2wac n LEU 734 N -1.09 1.15 -0.33 -5.58 7.94 -0.54 -2.52 117.00 116.02 2wac n LEU 734 Ca 0.20 0.17 -0.03 0.00 -1.11 0.00 0.00 56.01 55.24 2wac n LEU 734 Cb 0.17 -0.07 0.09 0.00 0.53 0.00 0.00 43.42 44.13 2wac n LEU 734 CO 0.20 0.57 1.22 -0.74 -1.11 0.00 0.00 177.39 177.53 2wac h HIS 735 N 0.01 1.16 0.00 1.96 -0.00 -1.19 -1.98 115.15 115.12 2wac h HIS 735 Ca -0.44 0.01 -0.15 0.00 -0.00 0.00 0.00 60.37 59.78 2wac h HIS 735 Cb 2.08 -0.39 -0.02 0.00 -0.00 0.00 0.00 27.41 29.08 2wac h HIS 735 CO 0.02 0.76 -0.80 0.00 -0.00 0.00 0.00 177.93 177.91 2wac h ALA 736 N 1.30 0.56 -0.12 5.26 0.00 -1.59 -1.93 119.26 122.73 2wac h ALA 736 Ca 0.32 -0.69 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 2wac h ALA 736 Cb -0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2wac h ALA 736 CO -0.06 0.91 -0.49 0.22 0.00 0.00 0.00 179.25 179.83 2wac h ASP 737 N 0.00 0.34 0.21 0.00 1.82 -1.45 -2.79 116.42 114.55 2wac h ASP 737 Ca -0.03 -0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.44 2wac h ASP 737 Cb 1.56 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 41.47 2wac h ASP 737 CO 0.09 0.78 -0.30 0.49 -1.61 0.00 0.00 179.24 178.69 2wac n PHE 738 N -3.97 0.00 -0.07 0.28 0.99 -0.75 -2.10 117.46 111.84 2wac n PHE 738 Ca -0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.34 2wac n PHE 738 Cb 0.54 -0.11 -0.05 0.00 -1.00 0.00 0.00 39.48 38.86 2wac n PHE 738 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.76 178.72 2wac h GLN 739 N 1.31 0.00 -0.16 -1.08 1.08 -1.32 -3.27 115.11 111.67 2wac h GLN 739 Ca 0.00 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 2wac h GLN 739 Cb 0.54 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 2wac h GLN 739 CO 0.00 0.39 -0.24 0.77 -0.95 0.00 0.00 178.83 178.80 2wac h SER 740 N -1.00 0.27 -2.80 1.46 0.02 -1.61 -3.33 113.55 106.57 2wac h SER 740 Ca -0.08 -0.08 -0.60 0.00 -0.84 0.00 0.00 61.79 60.19 2wac h SER 740 Cb 0.62 -0.07 -0.40 0.00 0.14 0.00 0.00 62.40 62.69 2wac h SER 740 CO -0.05 0.53 -0.79 0.20 -1.14 0.00 0.00 176.83 175.58 2wac s ASN 741 N -6.86 3.05 0.56 3.07 -0.87 -0.89 -5.11 114.94 107.89 2wac s ASN 741 Ca -0.05 -3.30 -0.21 0.00 -1.57 0.00 0.00 52.86 47.73 2wac s ASN 741 Cb 0.14 -0.97 -0.04 0.00 -0.02 0.00 0.00 41.25 40.36 2wac s ASN 741 CO 0.75 -0.15 1.36 -0.81 -2.57 0.00 0.00 177.10 175.68 2wac n PRO 742 N 2.62 1.62 -2.92 -0.60 -0.04 -1.23 -4.40 135.00 130.05 2wac n PRO 742 Ca 0.23 0.60 -0.42 0.00 -0.04 0.00 0.00 63.50 63.87 2wac n PRO 742 Cb 0.41 -2.58 -0.04 0.00 -0.04 0.00 0.00 33.50 31.24 2wac n PRO 742 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2wac s PRO 743 N -2.98 4.19 0.13 0.54 0.04 -1.26 -5.00 135.00 130.66 2wac s PRO 743 Ca 0.73 0.90 -0.31 0.00 0.04 0.00 0.00 61.00 62.36 2wac s PRO 743 Cb -0.41 -3.63 -0.08 0.00 0.04 0.00 0.00 34.50 30.42 2wac s PRO 743 CO 0.48 -0.48 1.37 -1.50 0.04 0.00 0.00 177.00 176.91 2wac s ILE 744 N 2.69 3.29 0.10 0.56 2.07 -1.26 -4.95 121.20 123.70 2wac s ILE 744 Ca 0.34 0.96 -0.31 0.00 -1.41 0.00 0.00 60.65 60.23 2wac s ILE 744 Cb -0.15 -3.61 -0.08 0.00 0.13 0.00 0.00 42.46 38.74 2wac s ILE 744 CO 0.08 0.09 1.56 0.00 -1.91 0.00 0.00 174.94 174.76 2wac s ALA 745 N 0.87 3.69 0.00 1.50 0.00 -1.26 -2.86 121.76 123.70 2wac s ALA 745 Ca 0.63 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.79 2wac s ALA 745 Cb -0.37 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.12 2wac s ALA 745 CO 0.32 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.58 2wac n GLY 746 N 3.81 2.72 0.23 0.00 0.00 -1.26 -4.98 105.19 105.70 2wac n GLY 746 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.12 2wac n GLY 746 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2wac h SER 747 N 0.23 0.47 -3.43 1.61 0.87 -1.93 -3.40 113.55 107.97 2wac h SER 747 Ca 0.00 -0.17 -0.59 0.00 -1.23 0.00 0.00 61.79 59.79 2wac h SER 747 Cb 0.00 -0.13 -0.10 0.00 -0.44 0.00 0.00 62.40 61.73 2wac h SER 747 CO 0.00 0.76 -0.13 -0.47 -0.53 0.00 0.00 176.83 176.46 2wac s TYR 748 N -4.40 3.41 -0.33 2.24 5.04 -1.26 -5.05 117.35 117.00 2wac s TYR 748 Ca -0.07 0.74 -0.16 0.00 -2.44 0.00 0.00 57.07 55.14 2wac s TYR 748 Cb 0.13 -2.58 -0.01 0.00 0.35 0.00 0.00 41.96 39.85 2wac s TYR 748 CO 0.79 0.00 0.43 0.99 -1.34 0.00 0.00 175.55 176.43 2wac s THR 749 N 1.26 5.10 0.38 4.34 2.01 -1.26 -4.98 115.64 122.49 2wac s THR 749 Ca 0.23 0.27 -0.28 0.00 0.31 0.00 0.00 61.69 62.22 2wac s THR 749 Cb -0.15 -3.87 -0.11 0.00 0.01 0.00 0.00 72.50 68.38 2wac s THR 749 CO 0.09 -0.11 1.45 -2.65 -0.69 0.00 0.00 174.62 172.71 2wac n PRO 750 N 5.53 2.54 -3.71 4.92 -0.02 -1.26 -5.03 135.00 137.97 2wac n PRO 750 Ca -0.07 0.89 -0.11 0.00 -2.02 0.00 0.00 63.50 62.19 2wac n PRO 750 Cb 0.49 -2.61 -0.12 0.00 -0.02 0.00 0.00 33.50 31.25 2wac n PRO 750 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2wac s LYS 751 N -2.11 0.33 0.33 -0.52 2.20 -1.26 -5.11 119.74 113.59 2wac s LYS 751 Ca 0.54 0.67 -0.29 0.00 -0.36 0.00 0.00 55.97 56.54 2wac s LYS 751 Cb -0.49 -0.04 -0.11 0.00 -1.51 0.00 0.00 37.83 35.68 2wac s LYS 751 CO 0.63 -0.15 1.54 -0.98 -0.36 0.00 0.00 175.35 176.03 2wac s ARG 752 N 1.26 4.12 0.00 4.03 1.70 -1.26 -2.19 118.95 126.61 2wac s ARG 752 Ca -0.09 2.57 0.00 0.00 -0.47 0.00 0.00 55.73 57.74 2wac s ARG 752 Cb -0.09 -3.00 0.00 0.00 -0.57 0.00 0.00 34.95 31.29 2wac s ARG 752 CO -0.10 -0.58 0.00 0.41 -1.08 0.00 0.00 175.30 173.94 2wac n GLY 753 N 1.38 3.26 3.74 3.88 0.00 -0.57 -5.03 105.19 111.85 2wac n GLY 753 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2wac n GLY 753 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wac s ASP 754 N -0.46 6.55 -0.17 1.61 1.11 -0.93 -4.77 116.67 119.60 2wac s ASP 754 Ca 0.00 2.74 -0.23 0.00 0.18 0.00 0.00 52.55 55.24 2wac s ASP 754 Cb 0.00 -2.62 -0.02 0.00 1.07 0.00 0.00 42.92 41.35 2wac s ASP 754 CO 0.00 -0.80 0.74 -0.22 1.18 0.00 0.00 175.17 176.07 2wac s LEU 755 N 0.04 4.18 0.00 1.23 2.96 -1.26 -2.21 118.68 123.62 2wac s LEU 755 Ca 0.64 1.05 0.01 0.00 -0.22 0.00 0.00 54.13 55.60 2wac s LEU 755 Cb -0.44 -3.09 -0.00 0.00 0.50 0.00 0.00 46.19 43.15 2wac s LEU 755 CO 0.41 -0.33 0.04 1.33 -1.32 0.00 0.00 176.35 176.48 2wac n VAL 756 N 4.63 0.00 -4.50 1.68 0.24 -0.32 -4.55 118.33 115.51 2wac n VAL 756 Ca 0.02 -0.31 -0.34 0.00 -2.04 0.00 0.00 64.34 61.67 2wac n VAL 756 Cb 0.49 0.16 -0.12 0.00 -1.47 0.00 0.00 33.84 32.90 2wac n VAL 756 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wac s ALA 757 N -2.17 2.95 -0.07 2.33 0.00 0.61 -1.75 121.76 123.67 2wac s ALA 757 Ca 0.05 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.20 2wac s ALA 757 Cb 0.00 -1.43 0.01 0.00 0.00 0.00 0.00 23.12 21.70 2wac s ALA 757 CO 0.04 0.31 -0.16 0.00 0.00 0.00 0.00 175.76 175.95 2wac s ALA 758 N 0.07 1.50 -0.74 0.00 0.00 0.17 -0.53 121.76 122.23 2wac s ALA 758 Ca -0.01 -0.59 -0.23 0.00 0.00 0.00 0.00 51.96 51.13 2wac s ALA 758 Cb -0.14 -0.60 0.07 0.00 0.00 0.00 0.00 23.12 22.46 2wac s ALA 758 CO 0.03 0.19 1.08 -1.14 0.00 0.00 0.00 175.76 175.92 2wac s GLN 759 N 0.45 3.23 0.10 0.00 0.74 -0.24 -1.11 119.66 122.82 2wac s GLN 759 Ca -0.13 -0.90 -0.34 0.00 0.05 0.00 0.00 55.36 54.04 2wac s GLN 759 Cb -0.15 -4.41 -0.13 0.00 1.10 0.00 0.00 33.01 29.41 2wac s GLN 759 CO 0.04 -1.89 1.65 0.34 -0.55 0.00 0.00 175.29 174.88 2wac n PHE 760 N 7.89 2.28 -0.35 1.67 7.35 -0.70 -4.84 117.46 130.76 2wac n PHE 760 Ca 0.04 0.20 0.10 0.00 -0.76 0.00 0.00 57.45 57.04 2wac n PHE 760 Cb 0.47 -2.57 0.29 0.00 0.35 0.00 0.00 39.48 38.02 2wac n PHE 760 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 2wac h THR 761 N 4.07 0.82 -0.17 -2.13 1.35 -1.94 0.03 112.91 114.94 2wac h THR 761 Ca -0.46 -0.30 -0.05 0.00 -0.55 0.00 0.00 66.41 65.06 2wac h THR 761 Cb 1.26 -0.13 -0.00 0.00 -1.73 0.00 0.00 68.15 67.55 2wac h THR 761 CO 0.90 0.16 -0.07 0.25 -0.25 0.00 0.00 175.52 176.51 2wac h LEU 762 N 0.87 0.36 -0.17 3.87 5.85 -1.98 -3.36 115.31 120.75 2wac h LEU 762 Ca 0.53 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2wac h LEU 762 Cb 0.69 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.62 2wac h LEU 762 CO -0.31 0.68 -0.30 -0.90 -0.34 0.00 0.00 178.44 177.27 2wac n ASP 763 N -4.62 0.53 -1.44 1.25 5.68 -1.19 -5.00 116.55 111.74 2wac n ASP 763 Ca -0.05 -0.76 -0.19 0.00 -0.50 0.00 0.00 54.79 53.29 2wac n ASP 763 Cb 0.30 0.87 -0.08 0.00 -1.14 0.00 0.00 41.12 41.07 2wac n ASP 763 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2wac n ASN 764 N -0.96 -5.26 -4.94 -1.12 3.02 -0.01 -5.01 115.26 100.99 2wac n ASN 764 Ca 0.02 0.46 -0.24 0.00 -0.03 0.00 0.00 54.58 54.78 2wac n ASN 764 Cb 0.13 -4.40 0.02 0.00 -0.61 0.00 0.00 39.78 34.91 2wac n ASN 764 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2wac s GLN 765 N -3.60 3.00 -0.17 3.52 -1.52 -1.26 -4.81 119.66 114.82 2wac s GLN 765 Ca 0.00 -0.31 -0.14 0.00 -1.95 0.00 0.00 55.36 52.96 2wac s GLN 765 Cb 0.00 -2.45 -0.04 0.00 -0.22 0.00 0.00 33.01 30.30 2wac s GLN 765 CO 0.00 -0.45 0.32 -1.58 -0.25 0.00 0.00 175.29 173.33 2wac s TRP 766 N -2.73 3.44 0.16 0.91 0.52 -1.26 -1.72 118.94 118.25 2wac s TRP 766 Ca 0.51 0.60 0.09 0.00 0.02 0.00 0.00 56.10 57.31 2wac s TRP 766 Cb -0.10 -2.39 -0.04 0.00 -1.15 0.00 0.00 33.47 29.79 2wac s TRP 766 CO 0.41 0.17 -0.19 0.71 0.02 0.00 0.00 176.95 178.07 2wac s TYR 767 N 0.68 1.83 0.15 -1.98 1.51 -0.27 -4.87 117.35 114.40 2wac s TYR 767 Ca 0.17 -0.46 -0.30 0.00 -1.01 0.00 0.00 57.07 55.47 2wac s TYR 767 Cb -0.13 -0.93 -0.07 0.00 -0.11 0.00 0.00 41.96 40.71 2wac s TYR 767 CO 0.05 0.32 1.19 1.03 -1.11 0.00 0.00 175.55 177.03 2wac s ARG 768 N -2.67 4.48 0.05 -0.62 0.52 -1.26 -0.66 118.95 118.80 2wac s ARG 768 Ca 0.15 1.83 -0.03 0.00 -0.52 0.00 0.00 55.73 57.16 2wac s ARG 768 Cb -0.06 -3.27 -0.03 0.00 0.52 0.00 0.00 34.95 32.11 2wac s ARG 768 CO 0.06 -0.13 0.02 0.00 0.02 0.00 0.00 175.30 175.28 2wac s ALA 769 N 0.26 0.24 -0.18 2.13 0.00 -0.72 -2.87 121.76 120.63 2wac s ALA 769 Ca 0.54 -0.91 -0.05 0.00 0.00 0.00 0.00 51.96 51.55 2wac s ALA 769 Cb -0.32 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 2wac s ALA 769 CO 0.34 -0.34 -0.01 0.21 0.00 0.00 0.00 175.76 175.95 2wac s LYS 770 N -3.25 3.64 -0.12 0.00 2.20 -0.26 -1.18 119.74 120.77 2wac s LYS 770 Ca 0.01 -0.52 -0.29 0.00 -0.36 0.00 0.00 55.97 54.80 2wac s LYS 770 Cb 0.03 -3.01 -0.03 0.00 -1.51 0.00 0.00 37.83 33.31 2wac s LYS 770 CO -0.08 0.10 1.34 0.08 -0.36 0.00 0.00 175.35 176.44 2wac s VAL 771 N 0.75 4.10 0.00 4.02 1.01 -0.94 -0.89 120.40 128.45 2wac s VAL 771 Ca -0.01 1.35 0.00 0.00 0.00 0.00 0.00 61.98 63.33 2wac s VAL 771 Cb -0.14 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.36 2wac s VAL 771 CO 0.02 -0.10 0.00 -0.62 0.00 0.00 0.00 175.10 174.40 2wac n GLU 772 N 6.44 0.00 -2.52 2.72 1.02 0.65 -1.51 120.64 127.44 2wac n GLU 772 Ca 0.14 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.86 2wac n GLU 772 Cb 0.44 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.84 2wac n GLU 772 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2wac s ARG 773 N 1.55 4.36 -0.21 3.49 6.06 -1.26 -4.36 118.95 128.59 2wac s ARG 773 Ca 0.00 1.59 -0.23 0.00 -2.50 0.00 0.00 55.73 54.59 2wac s ARG 773 Cb 0.00 -3.57 -0.02 0.00 0.06 0.00 0.00 34.95 31.42 2wac s ARG 773 CO 0.00 -0.43 0.72 0.08 -2.50 0.00 0.00 175.30 173.16 2wac s VAL 774 N 2.27 4.95 -0.62 7.11 1.01 -1.26 -2.30 120.40 131.55 2wac s VAL 774 Ca 0.53 1.36 0.04 0.00 0.00 0.00 0.00 61.98 63.91 2wac s VAL 774 Cb -0.22 -4.02 0.15 0.00 0.00 0.00 0.00 36.38 32.28 2wac s VAL 774 CO 0.20 0.05 0.39 -1.58 0.00 0.00 0.00 175.10 174.15 2wac s GLN 775 N 2.21 2.26 6.40 2.72 2.00 0.13 -4.99 119.66 130.39 2wac s GLN 775 Ca 0.32 -2.96 0.00 0.00 -2.00 0.00 0.00 55.36 50.72 2wac s GLN 775 Cb -0.16 -3.41 0.00 0.00 0.80 0.00 0.00 33.01 30.24 2wac s GLN 775 CO 0.10 -1.19 0.00 0.41 -0.50 0.00 0.00 175.29 174.11 2wac n GLY 776 N 2.61 1.87 0.02 2.59 0.00 -1.26 -1.73 105.19 109.28 2wac n GLY 776 Ca 0.12 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.32 2wac n GLY 776 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wac n SER 777 N 10.70 0.57 -4.81 1.61 3.41 -1.26 -4.91 113.62 118.93 2wac n SER 777 Ca 0.00 -0.15 -0.25 0.00 -0.26 0.00 0.00 58.87 58.21 2wac n SER 777 Cb 0.00 0.30 -0.05 0.00 -0.26 0.00 0.00 64.21 64.20 2wac n SER 777 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2wac s ASN 778 N -3.45 5.55 -0.10 4.04 0.01 -0.71 0.52 114.94 120.81 2wac s ASN 778 Ca 0.09 -0.16 -0.09 0.00 -0.71 0.00 0.00 52.86 51.98 2wac s ASN 778 Cb 0.16 -1.44 0.03 0.00 0.41 0.00 0.00 41.25 40.40 2wac s ASN 778 CO 0.72 0.03 0.27 0.00 -1.51 0.00 0.00 177.10 176.61 2wac s ALA 779 N -1.88 -0.66 -0.10 0.60 0.00 0.42 0.18 121.76 120.32 2wac s ALA 779 Ca 0.32 0.73 -0.25 0.00 0.00 0.00 0.00 51.96 52.77 2wac s ALA 779 Cb -0.09 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 2wac s ALA 779 CO 0.24 -0.13 0.77 0.99 0.00 0.00 0.00 175.76 177.63 2wac s THR 780 N 0.09 4.97 0.08 0.00 2.01 -0.97 -1.16 115.64 120.65 2wac s THR 780 Ca -0.01 1.56 0.09 0.00 0.31 0.00 0.00 61.69 63.64 2wac s THR 780 Cb -0.02 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 2wac s THR 780 CO 0.00 0.15 -0.25 0.68 -0.69 0.00 0.00 174.62 174.52 2wac s VAL 781 N 1.37 2.02 -0.20 3.82 -7.23 -0.47 -0.26 120.40 119.45 2wac s VAL 781 Ca 0.39 -1.50 -0.07 0.00 -1.81 0.00 0.00 61.98 58.99 2wac s VAL 781 Cb -0.18 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 2wac s VAL 781 CO 0.17 0.18 0.06 -0.22 -0.31 0.00 0.00 175.10 174.97 2wac s LEU 782 N -1.60 3.67 -0.88 1.32 2.96 -0.07 -2.47 118.68 121.61 2wac s LEU 782 Ca 0.11 -0.02 -0.25 0.00 -0.22 0.00 0.00 54.13 53.75 2wac s LEU 782 Cb -0.10 -1.94 0.05 0.00 0.50 0.00 0.00 46.19 44.69 2wac s LEU 782 CO 0.04 0.10 1.34 -0.31 -1.32 0.00 0.00 176.35 176.19 2wac s TYR 783 N 0.79 2.46 0.39 5.38 2.02 0.11 -1.11 117.35 127.39 2wac s TYR 783 Ca 0.03 -0.51 0.39 0.00 -0.37 0.00 0.00 57.07 56.61 2wac s TYR 783 Cb -0.14 -4.63 1.98 0.00 -0.40 0.00 0.00 41.96 38.78 2wac s TYR 783 CO 0.02 -1.96 2.18 -0.84 -1.57 0.00 0.00 175.55 173.38 2wac h ILE 784 N 6.38 0.00 -0.02 2.71 3.07 -1.84 0.34 117.51 128.16 2wac h ILE 784 Ca -0.04 -0.14 0.00 0.00 1.55 0.00 0.00 64.86 66.23 2wac h ILE 784 Cb 1.03 1.08 0.00 0.00 -0.27 0.00 0.00 36.82 38.66 2wac h ILE 784 CO 1.34 0.00 -0.32 0.47 -1.05 0.00 0.00 178.15 178.58 2wac n ASP 785 N -2.97 1.85 0.00 2.16 8.00 -1.26 -2.93 116.55 121.41 2wac n ASP 785 Ca -0.02 -1.41 0.00 0.00 0.71 0.00 0.00 54.79 54.07 2wac n ASP 785 Cb 0.13 0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 2wac n ASP 785 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2wac n TYR 786 N 0.00 0.00 0.00 1.24 4.01 -0.25 -3.73 117.16 118.43 2wac n TYR 786 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 2wac n TYR 786 Cb 0.45 0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.58 2wac n TYR 786 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wac n GLY 787 N 2.51 1.82 3.82 2.72 0.00 0.10 -4.09 105.19 112.07 2wac n GLY 787 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2wac n GLY 787 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wac s ASN 788 N -1.88 6.26 0.10 1.61 4.22 -1.26 -4.77 114.94 119.22 2wac s ASN 788 Ca 0.00 1.72 0.08 0.00 -2.14 0.00 0.00 52.86 52.52 2wac s ASN 788 Cb 0.00 -2.53 -0.03 0.00 1.28 0.00 0.00 41.25 39.97 2wac s ASN 788 CO 0.00 -0.84 -0.21 -0.54 -2.04 0.00 0.00 177.10 173.48 2wac s LYS 789 N -3.91 1.11 0.10 3.55 1.02 -1.26 -0.71 119.74 119.64 2wac s LYS 789 Ca 0.62 -1.15 -0.19 0.00 0.02 0.00 0.00 55.97 55.27 2wac s LYS 789 Cb -0.13 -1.37 0.04 0.00 -0.52 0.00 0.00 37.83 35.86 2wac s LYS 789 CO 0.31 0.32 0.46 -1.83 -0.92 0.00 0.00 175.35 173.69 2wac s GLU 790 N -1.90 1.08 -0.19 1.68 -1.05 -1.03 -5.01 118.70 112.28 2wac s GLU 790 Ca 0.06 -0.53 -0.15 0.00 -0.15 0.00 0.00 54.97 54.21 2wac s GLU 790 Cb -0.10 0.48 -0.04 0.00 -0.44 0.00 0.00 34.13 34.03 2wac s GLU 790 CO 0.04 -0.42 0.34 0.99 0.95 0.00 0.00 175.26 177.16 2wac s THR 791 N -3.35 5.26 0.01 1.83 2.01 -1.26 -1.37 115.64 118.76 2wac s THR 791 Ca -0.00 0.60 -0.00 0.00 0.31 0.00 0.00 61.69 62.60 2wac s THR 791 Cb 0.01 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 68.83 2wac s THR 791 CO -0.09 0.32 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.93 2wac s LEU 792 N 0.94 2.11 0.50 4.42 2.96 -0.31 -4.95 118.68 124.35 2wac s LEU 792 Ca 0.17 -0.29 -0.21 0.00 -0.22 0.00 0.00 54.13 53.59 2wac s LEU 792 Cb -0.14 0.09 -0.07 0.00 0.50 0.00 0.00 46.19 46.57 2wac s LEU 792 CO 0.06 -0.19 1.11 -2.84 -1.32 0.00 0.00 176.35 173.17 2wac s PRO 793 N -0.89 3.59 0.00 0.98 0.02 -1.26 -0.44 135.00 137.00 2wac s PRO 793 Ca -0.10 1.58 0.22 0.00 0.02 0.00 0.00 61.00 62.72 2wac s PRO 793 Cb -0.06 -2.14 1.09 0.00 0.02 0.00 0.00 34.50 33.41 2wac s PRO 793 CO -0.01 -0.65 1.69 0.25 -0.33 0.00 0.00 177.00 177.96 2wac n THR 794 N -0.98 0.32 -0.22 0.99 -2.24 0.19 -2.39 114.28 109.95 2wac n THR 794 Ca 0.10 0.08 0.10 0.00 -2.27 0.00 0.00 64.05 62.06 2wac n THR 794 Cb 0.51 -0.72 0.19 0.00 -2.10 0.00 0.00 70.33 68.20 2wac n THR 794 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wac n ASN 795 N -1.28 -0.07 -0.87 3.42 5.03 -1.26 -2.59 115.26 117.63 2wac n ASN 795 Ca 0.10 1.06 0.07 0.00 0.87 0.00 0.00 54.58 56.69 2wac n ASN 795 Cb 0.17 -0.39 0.23 0.00 -1.02 0.00 0.00 39.78 38.77 2wac n ASN 795 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2wac n ARG 796 N -4.80 3.02 -4.24 3.52 1.74 -1.01 -4.89 116.66 110.00 2wac n ARG 796 Ca 0.15 -2.56 -0.35 0.00 -0.77 0.00 0.00 57.85 54.32 2wac n ARG 796 Cb 0.49 -1.64 -0.09 0.00 -1.02 0.00 0.00 32.46 30.20 2wac n ARG 796 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2wac s LEU 797 N -2.07 3.79 0.28 0.55 1.02 -1.07 -1.08 118.68 120.10 2wac s LEU 797 Ca 0.36 0.22 -0.08 0.00 0.02 0.00 0.00 54.13 54.66 2wac s LEU 797 Cb 0.26 -1.89 -0.00 0.00 0.02 0.00 0.00 46.19 44.58 2wac s LEU 797 CO 0.13 0.38 0.44 0.00 0.02 0.00 0.00 176.35 177.31 2wac s ALA 798 N -0.86 0.31 0.10 4.21 0.00 0.31 -4.87 121.76 120.96 2wac s ALA 798 Ca 0.13 -1.22 -0.27 0.00 0.00 0.00 0.00 51.96 50.60 2wac s ALA 798 Cb -0.12 1.13 -0.06 0.00 0.00 0.00 0.00 23.12 24.07 2wac s ALA 798 CO 0.03 -0.80 0.83 0.00 0.00 0.00 0.00 175.76 175.82 2wac s ALA 799 N -3.63 3.35 -0.51 0.00 0.00 -1.26 -0.28 121.76 119.42 2wac s ALA 799 Ca 0.27 0.40 -0.18 0.00 0.00 0.00 0.00 51.96 52.46 2wac s ALA 799 Cb 0.00 -3.08 0.07 0.00 0.00 0.00 0.00 23.12 20.11 2wac s ALA 799 CO 0.14 0.09 0.56 -1.17 0.00 0.00 0.00 175.76 175.38 2wac s LEU 800 N -0.33 5.27 0.04 0.00 1.98 -1.26 -4.71 118.68 119.67 2wac s LEU 800 Ca 0.40 -1.14 -0.38 0.00 -2.89 0.00 0.00 54.13 50.12 2wac s LEU 800 Cb -0.22 -2.34 -0.19 0.00 0.66 0.00 0.00 46.19 44.10 2wac s LEU 800 CO 0.26 -0.85 1.13 -2.65 -1.89 0.00 0.00 176.35 172.35 2wac n PRO 801 N 5.86 0.37 -0.43 0.98 -0.02 -1.26 -4.58 135.00 135.93 2wac n PRO 801 Ca -0.09 0.13 0.36 0.00 -2.02 0.00 0.00 63.50 61.88 2wac n PRO 801 Cb 0.44 -1.65 0.60 0.00 -0.02 0.00 0.00 33.50 32.87 2wac n PRO 801 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2wac n PRO 802 N 1.78 -0.03 0.00 0.52 -0.01 -1.26 0.91 135.00 136.91 2wac n PRO 802 Ca 0.19 1.07 0.02 0.00 -0.01 0.00 0.00 63.50 64.77 2wac n PRO 802 Cb 0.12 -2.14 0.08 0.00 -0.01 0.00 0.00 33.50 31.56 2wac n PRO 802 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2wac n ALA 803 N -2.56 1.42 0.00 3.55 0.00 -1.26 -2.83 120.51 118.83 2wac n ALA 803 Ca 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2wac n ALA 803 Cb 1.40 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.80 2wac n ALA 803 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wac n PHE 804 N -1.20 0.00 1.22 0.00 3.72 0.26 -4.83 117.46 116.63 2wac n PHE 804 Ca 0.02 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.56 2wac n PHE 804 Cb 0.02 0.00 0.63 0.00 -0.94 0.00 0.00 39.48 39.19 2wac n PHE 804 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2wac n SER 805 N -0.91 0.14 0.01 4.37 7.64 -1.13 -3.74 113.62 120.01 2wac n SER 805 Ca 0.00 -0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.92 2wac n SER 805 Cb 0.00 -0.27 -0.11 0.00 -1.01 0.00 0.00 64.21 62.82 2wac n SER 805 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2wac n SER 806 N -1.32 0.39 -4.73 6.43 3.41 -1.26 -4.92 113.62 111.62 2wac n SER 806 Ca 0.11 0.16 -0.42 0.00 -0.26 0.00 0.00 58.87 58.47 2wac n SER 806 Cb 0.29 1.04 -0.03 0.00 -0.26 0.00 0.00 64.21 65.25 2wac n SER 806 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2wac s GLU 807 N -3.16 4.39 0.42 4.33 2.02 -1.24 -4.98 118.70 120.47 2wac s GLU 807 Ca -0.06 1.97 -0.26 0.00 0.02 0.00 0.00 54.97 56.64 2wac s GLU 807 Cb 0.10 -3.25 -0.10 0.00 0.10 0.00 0.00 34.13 30.99 2wac s GLU 807 CO 0.85 -0.28 1.43 1.63 0.02 0.00 0.00 175.26 178.91 2wac n LYS 808 N 3.27 2.38 -1.62 1.61 5.02 -1.26 -4.91 118.16 122.65 2wac n LYS 808 Ca 0.08 0.84 -0.46 0.00 -2.02 0.00 0.00 58.31 56.75 2wac n LYS 808 Cb 0.44 -2.61 -0.03 0.00 -0.02 0.00 0.00 35.03 32.81 2wac n LYS 808 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2wac n PRO 809 N 0.10 1.59 0.00 1.97 -0.02 -1.26 -4.89 135.00 132.50 2wac n PRO 809 Ca 0.04 0.56 0.14 0.00 -2.02 0.00 0.00 63.50 62.22 2wac n PRO 809 Cb 0.40 -2.11 0.58 0.00 -0.02 0.00 0.00 33.50 32.35 2wac n PRO 809 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2wac n TYR 810 N 1.35 0.00 -5.08 6.00 4.02 -1.24 -4.71 117.16 117.49 2wac n TYR 810 Ca 0.12 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.69 2wac n TYR 810 Cb 0.29 -0.41 -0.15 0.00 -0.02 0.00 0.00 39.34 39.05 2wac n TYR 810 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wac s ALA 811 N -2.90 2.36 -0.04 -0.72 0.00 -1.15 -4.19 121.76 115.12 2wac s ALA 811 Ca 0.17 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 51.20 2wac s ALA 811 Cb 0.19 -0.87 -0.01 0.00 0.00 0.00 0.00 23.12 22.43 2wac s ALA 811 CO 0.54 0.39 -0.24 0.99 0.00 0.00 0.00 175.76 177.44 2wac s THR 812 N -0.08 1.93 0.03 0.00 2.01 -0.42 -4.82 115.64 114.29 2wac s THR 812 Ca -0.05 -1.02 -0.22 0.00 0.31 0.00 0.00 61.69 60.71 2wac s THR 812 Cb -0.14 -1.62 -0.06 0.00 0.01 0.00 0.00 72.50 70.69 2wac s THR 812 CO 0.04 0.54 0.64 -0.70 -0.69 0.00 0.00 174.62 174.46 2wac s GLU 813 N -0.33 4.36 0.12 4.92 2.12 -1.26 -0.98 118.70 127.64 2wac s GLU 813 Ca 0.02 0.84 0.05 0.00 0.36 0.00 0.00 54.97 56.25 2wac s GLU 813 Cb -0.12 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 2wac s GLU 813 CO 0.01 0.39 -0.12 0.71 -0.54 0.00 0.00 175.26 175.71 2wac s TYR 814 N -0.32 1.30 -0.09 5.30 2.02 0.48 -4.34 117.35 121.69 2wac s TYR 814 Ca 0.33 -0.60 -0.13 0.00 -0.37 0.00 0.00 57.07 56.29 2wac s TYR 814 Cb -0.19 -0.68 -0.05 0.00 -0.40 0.00 0.00 41.96 40.64 2wac s TYR 814 CO 0.19 0.10 0.32 0.00 -1.57 0.00 0.00 175.55 174.60 2wac s ALA 815 N -2.37 3.67 -0.41 3.71 0.00 0.20 -1.44 121.76 125.12 2wac s ALA 815 Ca 0.09 -0.38 -0.28 0.00 0.00 0.00 0.00 51.96 51.39 2wac s ALA 815 Cb -0.03 -2.33 -0.01 0.00 0.00 0.00 0.00 23.12 20.75 2wac s ALA 815 CO 0.02 0.32 1.68 -1.17 0.00 0.00 0.00 175.76 176.61 2wac s LEU 816 N -0.37 3.48 -0.00 0.00 2.96 -1.24 -0.70 118.68 122.82 2wac s LEU 816 Ca 0.20 0.95 -0.37 0.00 -0.22 0.00 0.00 54.13 54.68 2wac s LEU 816 Cb -0.14 -3.32 -0.16 0.00 0.50 0.00 0.00 46.19 43.07 2wac s LEU 816 CO 0.08 -1.75 1.52 0.00 -1.32 0.00 0.00 176.35 174.88 2wac n ALA 817 N 10.25 -0.28 -0.40 5.97 0.00 -0.78 -2.35 120.51 132.93 2wac n ALA 817 Ca 0.20 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.10 2wac n ALA 817 Cb 0.48 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.74 2wac n ALA 817 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wac n LEU 818 N 3.68 0.32 -4.72 0.00 4.77 -1.26 -4.92 117.00 114.87 2wac n LEU 818 Ca 0.20 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.78 2wac n LEU 818 Cb 0.20 -0.61 -0.04 0.00 -2.33 0.00 0.00 43.42 40.64 2wac n LEU 818 CO 0.68 -0.16 0.52 -0.69 -1.33 0.00 0.00 177.39 176.41 2wac s VAL 819 N -2.10 4.87 -0.08 4.08 1.01 -0.99 0.12 120.40 127.31 2wac s VAL 819 Ca 0.00 1.72 0.03 0.00 0.00 0.00 0.00 61.98 63.73 2wac s VAL 819 Cb 0.00 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 32.23 2wac s VAL 819 CO 0.00 0.26 -0.16 0.00 0.00 0.00 0.00 175.10 175.20 2wac s ALA 820 N 0.56 1.57 0.53 5.51 0.00 -0.20 -4.90 121.76 124.83 2wac s ALA 820 Ca 0.43 -0.61 -0.21 0.00 0.00 0.00 0.00 51.96 51.56 2wac s ALA 820 Cb -0.20 -0.66 -0.05 0.00 0.00 0.00 0.00 23.12 22.20 2wac s ALA 820 CO 0.23 0.15 1.26 -0.51 0.00 0.00 0.00 175.76 176.89 2wac s LEU 821 N 0.60 3.87 1.03 0.00 2.01 -1.26 -0.97 118.68 123.95 2wac s LEU 821 Ca -0.15 2.52 -0.13 0.00 0.01 0.00 0.00 54.13 56.38 2wac s LEU 821 Cb -0.16 -4.33 0.20 0.00 0.01 0.00 0.00 46.19 41.91 2wac s LEU 821 CO 0.05 -1.35 1.10 -2.16 1.01 0.00 0.00 176.35 175.00 2wac s PRO 822 N -2.92 0.18 0.03 1.29 0.04 -1.26 -4.78 135.00 127.58 2wac s PRO 822 Ca 0.70 0.42 -0.25 0.00 0.04 0.00 0.00 61.00 61.91 2wac s PRO 822 Cb -0.34 -1.72 -0.17 0.00 0.04 0.00 0.00 34.50 32.31 2wac s PRO 822 CO 0.40 -2.88 1.44 1.15 0.04 0.00 0.00 177.00 177.16 2wac h THR 823 N -1.99 1.03 -3.73 1.26 2.02 -1.98 -3.43 112.91 106.08 2wac h THR 823 Ca -0.54 -0.55 -0.51 0.00 0.77 0.00 0.00 66.41 65.58 2wac h THR 823 Cb 1.33 1.37 0.02 0.00 -1.74 0.00 0.00 68.15 69.14 2wac h THR 823 CO 0.56 0.13 0.52 -1.81 0.37 0.00 0.00 175.52 175.29 2wac s ASP 824 N -5.30 7.15 0.36 4.18 1.01 -1.26 -4.92 116.67 117.90 2wac s ASP 824 Ca -0.15 2.32 0.07 0.00 0.71 0.00 0.00 52.55 55.50 2wac s ASP 824 Cb 0.03 -2.62 0.76 0.00 1.01 0.00 0.00 42.92 42.10 2wac s ASP 824 CO 0.63 -0.25 1.95 0.78 0.21 0.00 0.00 175.17 178.49 2wac h ASN 825 N 4.14 0.65 -0.72 0.27 2.35 -1.99 -1.28 115.58 119.00 2wac h ASN 825 Ca -0.46 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.25 2wac h ASN 825 Cb 1.21 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 39.42 2wac h ASN 825 CO 0.69 0.41 0.28 -0.08 -1.65 0.00 0.00 177.43 177.08 2wac h GLU 826 N 0.74 1.09 0.00 0.81 4.81 -1.98 -1.57 114.58 118.49 2wac h GLU 826 Ca 0.33 -0.20 -0.22 0.00 -0.13 0.00 0.00 59.36 59.14 2wac h GLU 826 Cb 0.34 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.54 2wac h GLU 826 CO -0.12 0.90 -0.94 -0.44 -0.73 0.00 0.00 179.01 177.68 2wac h ASP 827 N 1.07 0.49 -0.32 1.04 3.32 -1.73 -2.47 116.42 117.82 2wac h ASP 827 Ca 0.24 -0.40 0.05 0.00 0.02 0.00 0.00 57.03 56.94 2wac h ASP 827 Cb 0.22 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 2wac h ASP 827 CO -0.02 1.20 0.06 0.11 -1.72 0.00 0.00 179.24 178.87 2wac h LYS 828 N 0.21 0.17 -0.58 3.56 1.57 -1.13 -0.83 116.57 119.53 2wac h LYS 828 Ca -0.08 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.75 2wac h LYS 828 Cb 1.58 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.80 2wac h LYS 828 CO 0.16 0.11 0.29 1.49 -0.57 0.00 0.00 179.45 180.94 2wac h GLU 829 N 0.18 0.53 -0.44 3.15 4.81 -1.22 -2.03 114.58 119.56 2wac h GLU 829 Ca 0.15 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.22 2wac h GLU 829 Cb 0.17 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2wac h GLU 829 CO -0.20 0.35 -0.25 1.49 -0.73 0.00 0.00 179.01 179.67 2wac h GLU 830 N 0.55 0.92 -0.51 1.92 4.57 -1.15 -2.36 114.58 118.52 2wac h GLU 830 Ca 0.27 -0.40 -0.01 0.00 -1.18 0.00 0.00 59.36 58.03 2wac h GLU 830 Cb 0.20 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 2wac h GLU 830 CO -0.19 1.06 0.27 0.00 -1.18 0.00 0.00 179.01 178.97 2wac h ALA 831 N 0.92 0.66 -0.54 2.92 0.00 -0.89 -1.57 119.26 120.76 2wac h ALA 831 Ca 0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2wac h ALA 831 Cb 0.81 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2wac h ALA 831 CO 0.07 0.19 0.28 -0.07 0.00 0.00 0.00 179.25 179.72 2wac h LEU 832 N 0.69 0.69 -0.23 0.00 3.38 -1.33 -1.89 115.31 116.62 2wac h LEU 832 Ca 0.18 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2wac h LEU 832 Cb 0.07 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2wac h LEU 832 CO -0.03 0.61 0.12 -0.09 0.09 0.00 0.00 178.44 179.14 2wac h ARG 833 N 0.73 0.32 -0.42 1.13 2.43 -1.24 -1.54 114.38 115.79 2wac h ARG 833 Ca 0.19 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 2wac h ARG 833 Cb 0.08 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2wac h ARG 833 CO -0.03 0.31 0.15 0.00 -1.51 0.00 0.00 179.97 178.89 2wac h ALA 834 N 1.00 0.55 -0.64 2.80 0.00 -1.24 -1.22 119.26 120.50 2wac h ALA 834 Ca 0.08 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2wac h ALA 834 Cb 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2wac h ALA 834 CO -0.01 0.17 0.09 0.35 0.00 0.00 0.00 179.25 179.85 2wac h PHE 835 N 0.53 1.15 -0.62 0.00 -0.00 -1.29 -1.01 116.94 115.70 2wac h PHE 835 Ca 0.14 -0.17 -0.03 0.00 -0.00 0.00 0.00 57.97 57.91 2wac h PHE 835 Cb 0.22 -0.31 -0.03 0.00 -0.00 0.00 0.00 35.95 35.83 2wac h PHE 835 CO 0.01 0.98 0.26 1.03 -0.00 0.00 0.00 178.31 180.59 2wac h SER 836 N 0.99 0.85 -0.65 0.41 0.87 -1.18 -0.49 113.55 114.36 2wac h SER 836 Ca 0.19 -0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2wac h SER 836 Cb 0.46 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 2wac h SER 836 CO 0.02 0.78 0.39 -0.08 -0.53 0.00 0.00 176.83 177.41 2wac h GLU 837 N 0.87 0.89 0.11 2.24 4.81 -0.95 -1.45 114.58 121.10 2wac h GLU 837 Ca 0.21 -0.08 -0.29 0.00 -0.13 0.00 0.00 59.36 59.08 2wac h GLU 837 Cb 0.19 -0.19 0.02 0.00 0.63 0.00 0.00 28.75 29.40 2wac h GLU 837 CO -0.02 0.63 -1.21 -0.44 -0.73 0.00 0.00 179.01 177.24 2wac h ASP 838 N 0.91 0.74 0.00 1.04 3.32 -0.69 -3.42 116.42 118.32 2wac h ASP 838 Ca 0.24 -0.69 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2wac h ASP 838 Cb -0.03 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.28 2wac h ASP 838 CO -0.04 1.51 -0.42 1.33 -1.72 0.00 0.00 179.24 179.89 2wac n VAL 839 N -3.74 0.00 -1.92 -1.35 0.24 -0.24 -4.92 118.33 106.41 2wac n VAL 839 Ca -0.12 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.34 61.66 2wac n VAL 839 Cb 0.97 0.52 -0.03 0.00 -1.47 0.00 0.00 33.84 33.84 2wac n VAL 839 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2wac s LEU 840 N -1.66 4.37 -0.36 1.34 2.96 -0.55 -1.57 118.68 123.21 2wac s LEU 840 Ca 0.00 2.53 0.00 0.00 -0.22 0.00 0.00 54.13 56.44 2wac s LEU 840 Cb 0.00 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.12 2wac s LEU 840 CO 0.00 -0.87 0.00 0.59 -1.32 0.00 0.00 176.35 174.75 2wac n ASN 841 N 5.19 -4.74 -4.88 3.68 5.03 0.61 -4.97 115.26 115.18 2wac n ASN 841 Ca 0.15 0.08 -0.33 0.00 0.87 0.00 0.00 54.58 55.36 2wac n ASN 841 Cb 0.40 -2.54 -0.05 0.00 -1.02 0.00 0.00 39.78 36.57 2wac n ASN 841 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 2wac s HIS 842 N -1.68 3.53 -0.21 3.10 3.76 -0.61 -4.90 115.29 118.28 2wac s HIS 842 Ca 0.00 0.65 -0.29 0.00 -0.15 0.00 0.00 55.06 55.27 2wac s HIS 842 Cb 0.00 -2.06 0.01 0.00 1.11 0.00 0.00 32.58 31.63 2wac s HIS 842 CO 0.00 0.49 1.04 0.21 -0.85 0.00 0.00 174.74 175.63 2wac s LYS 843 N -2.24 4.28 0.25 1.40 2.20 -1.26 -3.17 119.74 121.20 2wac s LYS 843 Ca 0.36 1.37 0.02 0.00 -0.36 0.00 0.00 55.97 57.36 2wac s LYS 843 Cb -0.13 -3.63 -0.05 0.00 -1.51 0.00 0.00 37.83 32.51 2wac s LYS 843 CO 0.21 -0.59 0.07 0.14 -0.36 0.00 0.00 175.35 174.82 2wac s VAL 844 N 3.05 0.64 -0.31 4.02 -7.23 -0.50 -4.53 120.40 115.54 2wac s VAL 844 Ca 0.45 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.52 2wac s VAL 844 Cb -0.16 -2.54 -0.01 0.00 0.56 0.00 0.00 36.38 34.23 2wac s VAL 844 CO 0.08 -0.10 0.16 -1.10 -0.31 0.00 0.00 175.10 173.83 2wac s GLN 845 N -4.00 3.38 -0.16 4.82 -0.21 0.60 -1.54 119.66 122.55 2wac s GLN 845 Ca 0.35 -0.69 -0.11 0.00 0.02 0.00 0.00 55.36 54.92 2wac s GLN 845 Cb 0.07 -3.59 -0.05 0.00 1.00 0.00 0.00 33.01 30.44 2wac s GLN 845 CO 0.12 -0.41 0.20 -1.17 -2.12 0.00 0.00 175.29 171.91 2wac s LEU 846 N 1.63 4.26 -0.09 2.90 0.20 0.73 -1.18 118.68 127.14 2wac s LEU 846 Ca 0.05 0.40 0.02 0.00 0.69 0.00 0.00 54.13 55.29 2wac s LEU 846 Cb -0.17 -2.21 0.02 0.00 -0.43 0.00 0.00 46.19 43.40 2wac s LEU 846 CO 0.07 0.20 -0.13 0.21 -0.29 0.00 0.00 176.35 176.41 2wac s ASN 847 N 0.09 2.15 -0.29 3.68 2.47 -0.65 -0.09 114.94 122.30 2wac s ASN 847 Ca 0.13 -0.36 -0.29 0.00 0.42 0.00 0.00 52.86 52.76 2wac s ASN 847 Cb -0.12 -0.95 0.01 0.00 -1.45 0.00 0.00 41.25 38.73 2wac s ASN 847 CO 0.02 0.00 1.22 -0.69 -3.72 0.00 0.00 177.10 173.93 2wac s VAL 848 N 0.97 4.28 -0.07 -5.21 1.01 -1.26 -0.77 120.40 119.35 2wac s VAL 848 Ca -0.08 1.47 0.00 0.00 0.00 0.00 0.00 61.98 63.37 2wac s VAL 848 Cb -0.15 -4.23 -0.26 0.00 0.00 0.00 0.00 36.38 31.75 2wac s VAL 848 CO -0.00 -0.44 0.57 -0.33 0.00 0.00 0.00 175.10 174.90 2wac h GLU 849 N 8.77 0.18 -2.58 2.72 4.39 -0.63 -3.47 114.58 123.95 2wac h GLU 849 Ca -0.24 -0.30 -0.11 0.00 0.34 0.00 0.00 59.36 59.05 2wac h GLU 849 Cb 1.09 0.11 -0.27 0.00 -0.10 0.00 0.00 28.75 29.58 2wac h GLU 849 CO 1.03 0.96 -0.32 -1.17 -1.16 0.00 0.00 179.01 178.35 2wac s LEU 850 N -6.72 -0.33 -0.05 1.33 2.96 -1.12 -4.85 118.68 109.90 2wac s LEU 850 Ca -0.14 0.94 -0.30 0.00 -0.22 0.00 0.00 54.13 54.42 2wac s LEU 850 Cb 0.07 1.37 -0.02 0.00 0.50 0.00 0.00 46.19 48.11 2wac s LEU 850 CO 0.81 -0.21 1.00 -0.54 -1.32 0.00 0.00 176.35 176.08 2wac s LYS 851 N 1.87 4.50 -0.20 1.98 1.02 -1.26 -0.73 119.74 126.92 2wac s LYS 851 Ca -0.06 1.41 -0.00 0.00 0.02 0.00 0.00 55.97 57.33 2wac s LYS 851 Cb -0.10 -3.50 0.01 0.00 -0.52 0.00 0.00 37.83 33.73 2wac s LYS 851 CO -0.13 -0.17 -0.14 0.08 -0.92 0.00 0.00 175.35 174.07 2wac s VAL 852 N 1.46 2.49 -0.09 3.17 1.01 -1.26 -4.97 120.40 122.22 2wac s VAL 852 Ca 0.50 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 2wac s VAL 852 Cb -0.20 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 2wac s VAL 852 CO 0.23 0.45 1.30 -0.89 0.00 0.00 0.00 175.10 176.19 2wac s THR 853 N 1.33 4.11 0.00 3.92 2.01 -1.26 -3.60 115.64 122.15 2wac s THR 853 Ca 0.04 1.41 0.00 0.00 0.31 0.00 0.00 61.69 63.45 2wac s THR 853 Cb -0.14 -3.91 0.00 0.00 0.01 0.00 0.00 72.50 68.47 2wac s THR 853 CO -0.09 -0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.39 2wac n GLY 854 N 3.57 3.10 3.55 4.40 0.00 -1.26 -5.05 105.19 113.50 2wac n GLY 854 Ca 0.13 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 44.93 2wac n GLY 854 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wac s SER 855 N 0.00 3.03 0.39 1.61 1.04 -1.24 -5.12 113.70 113.41 2wac s SER 855 Ca 0.00 -1.48 -0.26 0.00 0.48 0.00 0.00 55.95 54.69 2wac s SER 855 Cb 0.00 0.07 -0.11 0.00 0.10 0.00 0.00 66.02 66.07 2wac s SER 855 CO 0.00 -0.68 1.15 -2.65 0.98 0.00 0.00 173.24 172.04 2wac n PRO 856 N -0.88 1.69 -2.07 4.02 -0.02 -1.26 -4.49 135.00 131.98 2wac n PRO 856 Ca -0.06 0.60 -0.35 0.00 -2.02 0.00 0.00 63.50 61.67 2wac n PRO 856 Cb 0.66 -2.18 0.02 0.00 -0.02 0.00 0.00 33.50 31.99 2wac n PRO 856 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2wac s ASN 857 N -0.56 5.44 0.02 2.55 0.01 -1.26 -4.34 114.94 116.80 2wac s ASN 857 Ca 0.60 2.17 -0.30 0.00 -0.71 0.00 0.00 52.86 54.62 2wac s ASN 857 Cb -0.56 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.48 2wac s ASN 857 CO 0.59 -1.41 1.13 -0.76 -1.51 0.00 0.00 177.10 175.13 2wac s LEU 858 N -4.15 4.36 -0.02 0.60 1.02 0.09 -0.63 118.68 119.94 2wac s LEU 858 Ca 0.72 1.87 -0.01 0.00 0.02 0.00 0.00 54.13 56.73 2wac s LEU 858 Cb -0.24 -3.57 0.01 0.00 0.02 0.00 0.00 46.19 42.41 2wac s LEU 858 CO 0.32 -0.42 0.05 0.00 0.02 0.00 0.00 176.35 176.32 2wac s ALA 859 N 1.21 -0.08 0.20 4.21 0.00 0.13 0.18 121.76 127.60 2wac s ALA 859 Ca 0.56 0.20 -0.10 0.00 0.00 0.00 0.00 51.96 52.62 2wac s ALA 859 Cb -0.26 -0.13 -0.07 0.00 0.00 0.00 0.00 23.12 22.66 2wac s ALA 859 CO 0.28 -0.05 0.52 0.95 0.00 0.00 0.00 175.76 177.46 2wac s THR 860 N 0.33 4.96 -0.05 0.00 -4.23 0.05 -1.86 115.64 114.83 2wac s THR 860 Ca -0.03 0.48 0.05 0.00 -1.18 0.00 0.00 61.69 61.02 2wac s THR 860 Cb -0.04 -3.64 -0.02 0.00 1.34 0.00 0.00 72.50 70.15 2wac s THR 860 CO -0.01 0.02 -0.21 -0.76 -0.54 0.00 0.00 174.62 173.12 2wac s LEU 861 N -2.59 2.33 0.02 4.79 1.43 -1.26 -1.63 118.68 121.77 2wac s LEU 861 Ca 0.44 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 53.19 2wac s LEU 861 Cb -0.12 -1.44 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 2wac s LEU 861 CO 0.21 0.29 -0.08 -0.13 0.23 0.00 0.00 176.35 176.87 2wac s ARG 862 N -0.44 0.59 0.08 1.70 0.52 -0.32 -1.11 118.95 119.96 2wac s ARG 862 Ca 0.05 -0.54 -0.31 0.00 -0.52 0.00 0.00 55.73 54.41 2wac s ARG 862 Cb -0.12 -0.50 -0.07 0.00 0.52 0.00 0.00 34.95 34.78 2wac s ARG 862 CO 0.01 0.12 1.40 0.34 0.02 0.00 0.00 175.30 177.20 2wac s ASP 863 N -0.92 6.83 0.57 0.23 2.15 -0.75 -0.29 116.67 124.49 2wac s ASP 863 Ca -0.03 2.27 0.32 0.00 0.43 0.00 0.00 52.55 55.54 2wac s ASP 863 Cb -0.06 -2.58 1.71 0.00 -0.30 0.00 0.00 42.92 41.69 2wac s ASP 863 CO 0.00 -0.68 2.16 -0.65 -0.17 0.00 0.00 175.17 175.83 2wac h PRO 864 N 7.19 0.00 0.00 4.34 0.11 -1.92 0.11 132.00 141.83 2wac h PRO 864 Ca -0.41 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.65 2wac h PRO 864 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2wac h PRO 864 CO 0.88 0.06 -0.74 2.41 -0.21 0.00 0.00 178.00 180.40 2wac n THR 865 N -3.50 1.45 0.29 -1.15 -1.04 -1.26 -4.65 114.28 104.41 2wac n THR 865 Ca -0.02 0.15 0.12 0.00 -2.04 0.00 0.00 64.05 62.26 2wac n THR 865 Cb 0.18 -2.32 0.09 0.00 -1.82 0.00 0.00 70.33 66.46 2wac n THR 865 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 2wac h THR 866 N -1.00 0.00 -0.52 12.58 1.35 -1.98 -3.48 112.91 119.86 2wac h THR 866 Ca -0.07 -0.82 -0.22 0.00 -0.55 0.00 0.00 66.41 64.75 2wac h THR 866 Cb 0.72 1.43 -0.09 0.00 -1.73 0.00 0.00 68.15 68.48 2wac h THR 866 CO -0.04 0.00 -0.20 0.29 -0.25 0.00 0.00 175.52 175.31 2wac n LYS 867 N -2.54 -0.89 -2.24 4.72 4.76 0.39 -4.98 118.16 117.39 2wac n LYS 867 Ca 0.02 0.86 -0.42 0.00 -2.87 0.00 0.00 58.31 55.90 2wac n LYS 867 Cb 0.51 -4.87 -0.03 0.00 -1.84 0.00 0.00 35.03 28.80 2wac n LYS 867 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2wac s VAL 868 N -2.35 3.71 -0.27 -0.18 0.11 -1.26 -4.66 120.40 115.50 2wac s VAL 868 Ca 0.00 1.12 -0.29 0.00 -2.93 0.00 0.00 61.98 59.88 2wac s VAL 868 Cb 0.00 -3.72 -0.00 0.00 -1.53 0.00 0.00 36.38 31.13 2wac s VAL 868 CO 0.00 0.01 1.33 -0.62 -3.33 0.00 0.00 175.10 172.48 2wac s ASP 869 N 1.77 6.68 0.12 3.54 -1.08 -1.26 -1.80 116.67 124.64 2wac s ASP 869 Ca 0.63 1.31 -0.14 0.00 -0.52 0.00 0.00 52.55 53.83 2wac s ASP 869 Cb -0.31 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 38.58 2wac s ASP 869 CO 0.27 -1.05 1.54 -0.26 0.52 0.00 0.00 175.17 176.18 2wac h PHE 870 N 9.28 0.83 -0.72 -5.34 0.04 -1.50 -0.78 116.94 118.75 2wac h PHE 870 Ca -0.27 -0.17 -0.02 0.00 2.80 0.00 0.00 57.97 60.31 2wac h PHE 870 Cb 1.10 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 39.02 2wac h PHE 870 CO 0.87 0.87 0.37 0.78 -0.60 0.00 0.00 178.31 180.60 2wac h GLY 871 N 0.55 1.09 1.39 -1.45 0.00 -1.93 -2.81 103.07 99.92 2wac h GLY 871 Ca 0.10 -0.51 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 2wac h GLY 871 CO 0.03 0.49 -0.24 1.70 0.00 0.00 0.00 176.54 178.52 2wac h LYS 872 N 0.99 0.70 -0.72 4.80 3.64 -1.88 -2.96 116.57 121.13 2wac h LYS 872 Ca 0.25 -0.28 0.07 0.00 -1.27 0.00 0.00 60.65 59.41 2wac h LYS 872 Cb 0.07 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.80 2wac h LYS 872 CO -0.04 0.88 0.41 0.37 -2.27 0.00 0.00 179.45 178.80 2wac h GLN 873 N 0.61 0.71 -0.62 1.90 4.15 -1.01 -0.54 115.11 120.30 2wac h GLN 873 Ca 0.08 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.43 2wac h GLN 873 Cb 0.74 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.24 2wac h GLN 873 CO 0.06 0.47 0.26 -0.07 -1.93 0.00 0.00 178.83 177.62 2wac h LEU 874 N 0.74 0.82 -0.42 -2.39 3.38 -1.35 -1.45 115.31 114.64 2wac h LEU 874 Ca 0.33 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 2wac h LEU 874 Cb 0.23 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2wac h LEU 874 CO -0.20 0.73 0.05 0.58 0.09 0.00 0.00 178.44 179.69 2wac h VAL 875 N 0.89 1.25 0.00 1.22 2.07 -1.27 -1.73 116.25 118.68 2wac h VAL 875 Ca 0.21 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 2wac h VAL 875 Cb 0.16 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2wac h VAL 875 CO -0.02 0.32 -0.04 0.00 0.02 0.00 0.00 177.57 177.85 2wac h ALA 876 N 0.93 1.01 -0.01 1.67 0.00 -0.79 -2.49 119.26 119.58 2wac h ALA 876 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2wac h ALA 876 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2wac h ALA 876 CO 0.01 0.04 -0.20 0.39 0.00 0.00 0.00 179.25 179.50 2wac n GLU 877 N -3.15 1.04 -1.42 0.00 1.02 -0.57 -4.60 120.64 112.96 2wac n GLU 877 Ca 0.00 -0.61 -0.06 0.00 -0.02 0.00 0.00 57.16 56.47 2wac n GLU 877 Cb 0.32 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.23 2wac n GLU 877 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wac n GLY 878 N 1.30 0.67 0.08 0.62 0.00 -0.94 -4.34 105.19 102.58 2wac n GLY 878 Ca 0.14 -0.74 -0.03 0.00 0.00 0.00 0.00 46.02 45.39 2wac n GLY 878 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wac n LEU 879 N -0.75 0.46 -4.29 0.99 4.77 -0.66 -2.06 117.00 115.46 2wac n LEU 879 Ca -0.06 0.21 -0.16 0.00 -0.03 0.00 0.00 56.01 55.96 2wac n LEU 879 Cb 0.29 0.22 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 2wac n LEU 879 CO 0.09 0.27 -0.23 0.68 -1.33 0.00 0.00 177.39 176.88 2wac s VAL 880 N -2.82 0.32 0.20 4.08 -7.23 -1.16 -4.55 120.40 109.23 2wac s VAL 880 Ca -0.06 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.16 2wac s VAL 880 Cb 0.08 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 2wac s VAL 880 CO 0.83 0.00 0.20 -0.76 -0.31 0.00 0.00 175.10 175.06 2wac s LEU 881 N -3.29 3.93 -0.09 1.32 1.43 -0.15 -4.47 118.68 117.37 2wac s LEU 881 Ca 0.38 -0.10 -0.06 0.00 -1.03 0.00 0.00 54.13 53.31 2wac s LEU 881 Cb 0.07 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 2wac s LEU 881 CO 0.15 0.02 0.15 0.00 0.23 0.00 0.00 176.35 176.90 2wac s ALA 882 N -1.89 3.90 0.24 4.21 0.00 -1.26 -1.03 121.76 125.93 2wac s ALA 882 Ca 0.32 -0.67 -0.30 0.00 0.00 0.00 0.00 51.96 51.31 2wac s ALA 882 Cb -0.09 -1.95 -0.09 0.00 0.00 0.00 0.00 23.12 20.98 2wac s ALA 882 CO 0.25 0.65 0.95 -1.21 0.00 0.00 0.00 175.76 176.40 2wac s GLU 883 N -1.28 4.84 -0.38 0.00 2.02 0.12 -4.89 118.70 119.13 2wac s GLU 883 Ca 0.18 1.50 -0.14 0.00 0.02 0.00 0.00 54.97 56.54 2wac s GLU 883 Cb -0.12 -3.27 0.00 0.00 0.10 0.00 0.00 34.13 30.84 2wac s GLU 883 CO 0.08 0.50 0.29 -1.14 0.02 0.00 0.00 175.26 175.01 2wac s GLN 884 N -1.21 3.22 0.21 1.61 2.00 -1.26 -4.89 119.66 119.34 2wac s GLN 884 Ca 0.41 -0.82 0.07 0.00 -2.00 0.00 0.00 55.36 53.02 2wac s GLN 884 Cb -0.26 -3.90 -0.05 0.00 0.80 0.00 0.00 33.01 29.60 2wac s GLN 884 CO 0.32 -0.62 -0.12 1.03 -0.50 0.00 0.00 175.29 175.40 2wac s ARG 885 N 1.74 1.32 -0.00 1.67 0.52 -1.26 -5.09 118.95 117.85 2wac s ARG 885 Ca 0.06 -1.60 0.16 0.00 -0.52 0.00 0.00 55.73 53.83 2wac s ARG 885 Cb -0.18 -1.04 -0.18 0.00 0.52 0.00 0.00 34.95 34.08 2wac s ARG 885 CO 0.10 0.14 0.66 0.41 0.02 0.00 0.00 175.30 176.64 2wac n GLY 886 N -0.38 -0.52 3.78 -3.53 0.00 -1.26 -4.87 105.19 98.41 2wac n GLY 886 Ca -0.08 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 2wac n GLY 886 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wac s GLU 887 N -2.54 4.12 0.00 1.61 8.01 -1.26 -4.91 118.70 123.73 2wac s GLU 887 Ca 0.05 2.49 0.27 0.00 0.01 0.00 0.00 54.97 57.79 2wac s GLU 887 Cb 0.12 -2.96 0.80 0.00 -4.31 0.00 0.00 34.13 27.78 2wac s GLU 887 CO 0.66 -0.50 1.59 0.54 0.01 0.00 0.00 175.26 177.56 2wac n ARG 888 N 0.46 1.39 0.24 1.61 1.74 -1.26 -2.42 116.66 118.42 2wac n ARG 888 Ca 0.01 -0.88 0.13 0.00 -0.77 0.00 0.00 57.85 56.34 2wac n ARG 888 Cb 0.40 -1.48 0.42 0.00 -1.02 0.00 0.00 32.46 30.78 2wac n ARG 888 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2wac h LYS 889 N 2.15 0.00 -0.01 5.56 3.64 -1.94 -3.33 116.57 122.64 2wac h LYS 889 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2wac h LYS 889 Cb 0.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2wac h LYS 889 CO 0.00 0.08 -0.39 1.28 -2.27 0.00 0.00 179.45 178.15 2wac n LEU 890 N -3.16 1.36 -0.12 5.20 4.77 -1.01 -4.81 117.00 119.23 2wac n LEU 890 Ca 0.02 -0.71 -0.09 0.00 -0.03 0.00 0.00 56.01 55.20 2wac n LEU 890 Cb 0.44 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 2wac n LEU 890 CO 0.32 0.27 0.60 0.50 -1.33 0.00 0.00 177.39 177.75 2wac h LYS 891 N 1.30 -0.29 -0.55 3.23 1.63 -1.62 0.15 116.57 120.42 2wac h LYS 891 Ca 0.00 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.79 2wac h LYS 891 Cb 0.47 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.15 2wac h LYS 891 CO 0.00 -0.19 0.23 0.93 -3.45 0.00 0.00 179.45 176.97 2wac h GLU 892 N -0.30 0.81 -0.53 1.90 5.08 -1.87 -1.56 114.58 118.11 2wac h GLU 892 Ca 0.15 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 2wac h GLU 892 Cb 0.57 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2wac h GLU 892 CO -0.56 0.69 0.08 1.25 -1.00 0.00 0.00 179.01 179.48 2wac h LEU 893 N 0.74 0.80 -0.25 1.33 5.85 -1.77 -0.58 115.31 121.42 2wac h LEU 893 Ca 0.18 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2wac h LEU 893 Cb 0.18 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2wac h LEU 893 CO -0.02 0.82 0.11 0.58 -0.34 0.00 0.00 178.44 179.59 2wac h VAL 894 N 0.81 1.15 -0.65 1.05 2.07 -0.40 -0.15 116.25 120.12 2wac h VAL 894 Ca 0.17 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 2wac h VAL 894 Cb 0.37 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 2wac h VAL 894 CO 0.01 0.15 0.23 0.44 0.02 0.00 0.00 177.57 178.42 2wac h ASP 895 N 0.27 0.92 -0.43 0.57 3.32 -1.11 -1.35 116.42 118.61 2wac h ASP 895 Ca 0.09 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 2wac h ASP 895 Cb 0.14 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 2wac h ASP 895 CO -0.01 0.87 0.13 1.56 -1.72 0.00 0.00 179.24 180.06 2wac h GLN 896 N 0.93 0.68 -0.10 3.56 4.20 -0.97 -2.15 115.11 121.27 2wac h GLN 896 Ca 0.21 -0.15 -0.11 0.00 0.06 0.00 0.00 58.65 58.66 2wac h GLN 896 Cb 0.25 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 2wac h GLN 896 CO -0.01 0.67 -0.44 1.88 -0.67 0.00 0.00 178.83 180.26 2wac h TYR 897 N 0.56 0.27 -0.84 2.96 -1.99 -0.97 -2.52 116.97 114.44 2wac h TYR 897 Ca 0.14 -0.08 -0.01 0.00 2.00 0.00 0.00 58.73 60.78 2wac h TYR 897 Cb 0.28 -0.06 -0.04 0.00 2.00 0.00 0.00 36.73 38.91 2wac h TYR 897 CO 0.01 0.63 0.47 -0.22 -0.00 0.00 0.00 178.16 179.06 2wac h LYS 898 N 0.19 1.16 -0.52 4.88 1.63 -1.05 -1.07 116.57 121.79 2wac h LYS 898 Ca 0.01 -0.13 -0.11 0.00 -0.85 0.00 0.00 60.65 59.57 2wac h LYS 898 Cb 0.85 -0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 32.23 2wac h LYS 898 CO 0.07 0.85 -0.11 0.00 -3.45 0.00 0.00 179.45 176.80 2wac h ALA 899 N 1.25 0.81 -0.51 5.00 0.00 -1.23 -1.21 119.26 123.38 2wac h ALA 899 Ca 0.30 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2wac h ALA 899 Cb 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2wac h ALA 899 CO -0.05 0.66 0.33 0.00 0.00 0.00 0.00 179.25 180.19 2wac h ALA 900 N 0.99 0.65 -0.42 0.00 0.00 -1.13 -2.23 119.26 117.12 2wac h ALA 900 Ca 0.14 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2wac h ALA 900 Cb 0.67 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2wac h ALA 900 CO 0.05 0.11 0.03 0.37 0.00 0.00 0.00 179.25 179.81 2wac h GLN 901 N 0.69 0.71 -0.46 0.00 4.15 -1.08 -2.49 115.11 116.64 2wac h GLN 901 Ca 0.19 -0.21 0.08 0.00 0.77 0.00 0.00 58.65 59.47 2wac h GLN 901 Cb -0.05 -0.07 -0.07 0.00 0.21 0.00 0.00 27.48 27.50 2wac h GLN 901 CO -0.04 0.77 0.07 0.93 -1.93 0.00 0.00 178.83 178.64 2wac h GLU 902 N 0.56 0.19 -0.20 1.69 4.39 -1.12 0.83 114.58 120.92 2wac h GLU 902 Ca 0.12 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.77 2wac h GLU 902 Cb 0.43 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2wac h GLU 902 CO 0.01 0.13 -0.07 0.00 -1.16 0.00 0.00 179.01 177.92 2wac h ALA 903 N 1.36 1.50 -0.25 3.43 0.00 -1.31 -1.14 119.26 122.86 2wac h ALA 903 Ca 0.23 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 2wac h ALA 903 Cb 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2wac h ALA 903 CO -0.31 0.36 -0.55 0.00 0.00 0.00 0.00 179.25 178.74 2wac h ALA 904 N 1.63 0.40 0.09 0.00 0.00 -0.91 -2.79 119.26 117.68 2wac h ALA 904 Ca 0.06 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2wac h ALA 904 Cb 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2wac h ALA 904 CO 0.02 0.62 -0.04 -0.09 0.00 0.00 0.00 179.25 179.75 2wac h ARG 905 N 0.57 -0.12 -0.22 0.00 2.43 -0.33 -2.20 114.38 114.51 2wac h ARG 905 Ca 0.00 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 2wac h ARG 905 Cb 1.17 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 2wac h ARG 905 CO 0.12 -0.05 -0.04 0.28 -1.51 0.00 0.00 179.97 178.77 2wac h VAL 906 N -0.15 1.16 -0.00 0.20 2.07 -1.32 -2.18 116.25 116.03 2wac h VAL 906 Ca -0.01 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2wac h VAL 906 Cb 0.12 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2wac h VAL 906 CO 0.02 0.22 -0.03 0.00 0.02 0.00 0.00 177.57 177.80 2wac n ALA 907 N -2.49 2.66 -3.75 1.67 0.00 -1.05 -4.94 120.51 112.61 2wac n ALA 907 Ca 0.00 -0.25 -0.23 0.00 0.00 0.00 0.00 53.44 52.97 2wac n ALA 907 Cb 0.23 -1.41 0.02 0.00 0.00 0.00 0.00 19.45 18.29 2wac n ALA 907 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wac n HIS 908 N -0.85 -1.90 -3.33 0.00 8.25 -0.82 -4.96 115.22 111.61 2wac n HIS 908 Ca 0.19 0.83 -0.38 0.00 -0.26 0.00 0.00 57.72 58.11 2wac n HIS 908 Cb 0.21 -4.28 -0.06 0.00 1.12 0.00 0.00 29.99 26.99 2wac n HIS 908 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2wac s LEU 909 N -6.76 4.29 0.00 2.41 1.43 -0.98 -3.71 118.68 115.37 2wac s LEU 909 Ca 0.05 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 53.98 2wac s LEU 909 Cb -0.03 -2.68 0.00 0.00 0.03 0.00 0.00 46.19 43.51 2wac s LEU 909 CO 0.82 0.03 0.00 0.00 0.23 0.00 0.00 176.35 177.43 2wac n ALA 910 N 3.51 0.00 0.29 4.21 0.00 -1.26 -1.06 120.51 126.21 2wac n ALA 910 Ca -0.08 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.56 2wac n ALA 910 Cb 0.52 0.00 1.05 0.00 0.00 0.00 0.00 19.45 21.02 2wac n ALA 910 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2wac h ILE 911 N 0.00 0.00 -0.01 0.00 3.07 -1.74 0.00 117.51 118.83 2wac h ILE 911 Ca 0.00 -0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 2wac h ILE 911 Cb 0.00 0.86 0.00 0.00 -0.27 0.00 0.00 36.82 37.41 2wac h ILE 911 CO 0.00 0.00 -0.16 0.79 -1.05 0.00 0.00 178.15 177.73 2wac n TRP 912 N -2.85 0.00 0.00 0.16 7.02 -0.22 -5.15 117.44 116.40 2wac n TRP 912 Ca -0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.45 2wac n TRP 912 Cb 0.06 -0.07 0.00 0.00 -2.42 0.00 0.00 31.31 28.88 2wac n TRP 912 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84