#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 3.17 -1.23 2.03 1.01 -1.26 -4.94 120.40 119.18 2wac s VAL 700 Ca 0.00 0.86 -0.19 0.00 0.00 0.00 0.00 61.98 62.64 2wac s VAL 700 Cb 0.00 -3.55 0.05 0.00 0.00 0.00 0.00 36.38 32.89 2wac s VAL 700 CO 0.00 0.08 1.70 0.21 0.00 0.00 0.00 175.10 177.08 2wac s ASN 701 N 1.00 6.64 0.40 3.32 2.47 -1.26 -4.99 114.94 122.53 2wac s ASN 701 Ca 0.64 -2.18 -0.24 0.00 0.42 0.00 0.00 52.86 51.50 2wac s ASN 701 Cb -0.38 -2.58 -0.09 0.00 -1.45 0.00 0.00 41.25 36.76 2wac s ASN 701 CO 0.32 -1.37 1.11 -0.31 -3.72 0.00 0.00 177.10 173.12 2wac s TYR 702 N 4.87 3.15 -0.20 0.43 2.02 -1.26 -4.90 117.35 121.46 2wac s TYR 702 Ca 0.54 1.60 -0.08 0.00 -0.37 0.00 0.00 57.07 58.75 2wac s TYR 702 Cb 0.03 -3.26 -0.04 0.00 -0.40 0.00 0.00 41.96 38.28 2wac s TYR 702 CO 0.05 -0.99 0.09 -2.00 -1.57 0.00 0.00 175.55 171.13 2wac s GLU 703 N -2.42 4.03 -0.43 -0.62 2.12 0.01 -4.88 118.70 116.50 2wac s GLU 703 Ca 0.58 -0.31 -0.29 0.00 0.36 0.00 0.00 54.97 55.31 2wac s GLU 703 Cb -0.26 -3.31 0.02 0.00 0.26 0.00 0.00 34.13 30.84 2wac s GLU 703 CO 0.33 0.24 1.23 -0.80 -0.54 0.00 0.00 175.26 175.71 2wac s ASN 704 N 0.50 6.57 0.34 -1.70 0.01 -1.26 -0.32 114.94 119.08 2wac s ASN 704 Ca 0.05 0.67 0.06 0.00 -0.71 0.00 0.00 52.86 52.93 2wac s ASN 704 Cb -0.12 -2.55 -0.07 0.00 0.41 0.00 0.00 41.25 38.92 2wac s ASN 704 CO 0.00 -1.27 0.00 0.68 -1.51 0.00 0.00 177.10 175.01 2wac s VAL 705 N 4.68 1.63 -0.11 1.60 -7.23 -0.19 -1.47 120.40 119.32 2wac s VAL 705 Ca 0.52 -2.05 0.03 0.00 -1.81 0.00 0.00 61.98 58.68 2wac s VAL 705 Cb -0.10 -2.76 0.01 0.00 0.56 0.00 0.00 36.38 34.09 2wac s VAL 705 CO 0.30 -0.09 -0.21 -0.63 -0.31 0.00 0.00 175.10 174.16 2wac s ILE 706 N -3.00 1.87 -0.24 -0.62 1.01 0.02 -0.83 121.20 119.42 2wac s ILE 706 Ca 0.34 -0.89 -0.27 0.00 0.00 0.00 0.00 60.65 59.83 2wac s ILE 706 Cb 0.07 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.91 2wac s ILE 706 CO 0.15 0.51 0.95 -0.69 0.00 0.00 0.00 174.94 175.87 2wac s VAL 707 N 0.61 4.74 -0.05 2.92 1.01 -1.16 -0.75 120.40 127.72 2wac s VAL 707 Ca -0.13 1.82 0.14 0.00 0.00 0.00 0.00 61.98 63.80 2wac s VAL 707 Cb -0.17 -4.23 -0.21 0.00 0.00 0.00 0.00 36.38 31.77 2wac s VAL 707 CO 0.04 -0.15 0.24 0.35 0.00 0.00 0.00 175.10 175.58 2wac n THR 708 N 5.31 0.25 -3.73 3.92 -2.24 0.06 -0.07 114.28 117.79 2wac n THR 708 Ca 0.09 -0.40 -0.12 0.00 -2.27 0.00 0.00 64.05 61.35 2wac n THR 708 Cb 0.47 -0.05 -0.10 0.00 -2.10 0.00 0.00 70.33 68.54 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 -2.82 0.43 -0.06 -0.78 2.56 -1.18 -4.89 118.70 111.95 2wac s GLU 709 Ca -0.06 0.61 0.05 0.00 0.00 0.00 0.00 54.97 55.57 2wac s GLU 709 Cb 0.08 0.14 -0.00 0.00 2.00 0.00 0.00 34.13 36.35 2wac s GLU 709 CO 0.59 -0.09 -0.21 0.42 -0.56 0.00 0.00 175.26 175.41 2wac s ILE 710 N 0.57 1.76 0.53 -3.70 1.01 -1.26 -0.19 121.20 119.92 2wac s ILE 710 Ca -0.03 -0.88 0.06 0.00 0.00 0.00 0.00 60.65 59.80 2wac s ILE 710 Cb -0.05 -1.51 0.06 0.00 0.01 0.00 0.00 42.46 40.97 2wac s ILE 710 CO -0.03 0.50 0.74 0.42 0.00 0.00 0.00 174.94 176.56 2wac s THR 711 N 0.12 2.53 -1.29 2.92 -4.23 -0.53 -5.01 115.64 110.15 2wac s THR 711 Ca -0.09 -0.89 0.21 0.00 -1.18 0.00 0.00 61.69 59.73 2wac s THR 711 Cb -0.14 -2.64 0.30 0.00 1.34 0.00 0.00 72.50 71.36 2wac s THR 711 CO 0.05 0.00 1.65 -1.84 -0.54 0.00 0.00 174.62 173.94 2wac n GLU 712 N -2.20 0.20 -0.33 3.99 0.28 -1.26 -2.63 120.64 118.69 2wac n GLU 712 Ca 0.12 0.11 0.07 0.00 -0.16 0.00 0.00 57.16 57.30 2wac n GLU 712 Cb 0.60 -1.50 0.22 0.00 1.43 0.00 0.00 31.44 32.19 2wac n GLU 712 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2wac n THR 713 N -1.36 1.62 -2.29 3.84 -2.24 -1.26 -4.96 114.28 107.63 2wac n THR 713 Ca 0.08 -1.39 -0.18 0.00 -2.27 0.00 0.00 64.05 60.29 2wac n THR 713 Cb 0.19 0.15 -0.01 0.00 -2.10 0.00 0.00 70.33 68.55 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 0.13 -1.81 -4.90 3.22 4.77 -1.08 -4.92 117.00 112.41 2wac n LEU 714 Ca 0.17 0.02 -0.28 0.00 -0.03 0.00 0.00 56.01 55.89 2wac n LEU 714 Cb 0.66 -2.66 0.00 0.00 -2.33 0.00 0.00 43.42 39.10 2wac n LEU 714 CO 0.12 -0.25 0.50 0.42 -1.33 0.00 0.00 177.39 176.85 2wac s THR 715 N -2.90 4.86 0.03 -5.08 -4.23 -1.26 -2.56 115.64 104.50 2wac s THR 715 Ca 0.00 0.36 -0.11 0.00 -1.18 0.00 0.00 61.69 60.76 2wac s THR 715 Cb 0.00 -3.86 0.01 0.00 1.34 0.00 0.00 72.50 69.99 2wac s THR 715 CO 0.00 -0.90 0.23 0.72 -0.54 0.00 0.00 174.62 174.13 2wac s PHE 716 N -2.82 -0.01 -0.12 3.99 -0.71 -0.26 -1.45 117.98 116.61 2wac s PHE 716 Ca 0.49 -0.15 -0.04 0.00 -1.04 0.00 0.00 56.93 56.19 2wac s PHE 716 Cb -0.10 0.01 -0.04 0.00 -1.21 0.00 0.00 43.02 41.68 2wac s PHE 716 CO 0.46 -0.43 0.04 -0.06 -1.34 0.00 0.00 175.22 173.90 2wac s PHE 717 N -2.32 3.27 -0.00 3.49 0.40 0.73 -0.53 117.98 123.02 2wac s PHE 717 Ca -0.07 0.21 0.05 0.00 -0.60 0.00 0.00 56.93 56.52 2wac s PHE 717 Cb -0.02 -1.90 -0.01 0.00 0.51 0.00 0.00 43.02 41.60 2wac s PHE 717 CO -0.02 0.43 -0.15 0.00 0.70 0.00 0.00 175.22 176.18 2wac s ALA 718 N -0.55 1.21 -0.04 5.36 0.00 -0.53 -0.76 121.76 126.45 2wac s ALA 718 Ca 0.10 -0.67 -0.04 0.00 0.00 0.00 0.00 51.96 51.36 2wac s ALA 718 Cb -0.12 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 2wac s ALA 718 CO 0.02 0.28 0.16 -0.65 0.00 0.00 0.00 175.76 175.58 2wac s GLN 719 N -0.50 3.41 0.13 0.00 -0.21 0.07 -1.78 119.66 120.79 2wac s GLN 719 Ca 0.05 -0.28 -0.30 0.00 0.02 0.00 0.00 55.36 54.85 2wac s GLN 719 Cb -0.06 -3.10 -0.07 0.00 1.00 0.00 0.00 33.01 30.77 2wac s GLN 719 CO -0.00 0.71 1.21 0.45 -2.12 0.00 0.00 175.29 175.53 2wac s SER 720 N -1.63 7.07 0.29 5.90 0.15 -1.26 -0.80 113.70 123.43 2wac s SER 720 Ca 0.23 2.15 -0.00 0.00 0.70 0.00 0.00 55.95 59.03 2wac s SER 720 Cb -0.12 -2.59 0.45 0.00 -1.71 0.00 0.00 66.02 62.04 2wac s SER 720 CO 0.14 -0.42 1.84 0.58 1.20 0.00 0.00 173.24 176.58 2wac h VAL 721 N 4.06 1.22 0.00 4.45 2.07 -1.58 -2.52 116.25 123.95 2wac h VAL 721 Ca -0.43 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.30 2wac h VAL 721 Cb 1.21 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2wac h VAL 721 CO 0.78 0.29 0.00 -1.84 0.02 0.00 0.00 177.57 176.82 2wac n GLU 722 N -4.28 0.70 -0.18 1.57 0.28 -1.26 -2.54 120.64 114.93 2wac n GLU 722 Ca 0.04 0.01 0.10 0.00 -0.16 0.00 0.00 57.16 57.14 2wac n GLU 722 Cb 0.22 -1.50 0.19 0.00 1.43 0.00 0.00 31.44 31.78 2wac n GLU 722 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2wac n SER 723 N -1.13 3.23 -0.21 -1.84 7.64 -0.95 -4.63 113.62 115.72 2wac n SER 723 Ca 0.19 -1.93 -0.03 0.00 1.01 0.00 0.00 58.87 58.11 2wac n SER 723 Cb 0.16 -0.24 0.07 0.00 -1.01 0.00 0.00 64.21 63.20 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 3.75 0.89 1.78 0.23 0.00 -1.50 -2.43 103.07 105.78 2wac h GLY 724 Ca 0.00 -0.26 -0.11 0.00 0.00 0.00 0.00 47.33 46.96 2wac h GLY 724 CO 0.00 0.20 -0.42 1.48 0.00 0.00 0.00 176.54 177.80 2wac h SER 725 N 0.69 0.26 -0.30 0.19 4.64 -1.83 -2.22 113.55 114.98 2wac h SER 725 Ca 0.26 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.46 2wac h SER 725 Cb 0.09 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 2wac h SER 725 CO -0.14 0.65 0.16 0.11 -0.87 0.00 0.00 176.83 176.75 2wac h LYS 726 N 0.21 0.43 -0.30 4.77 1.79 -1.76 -1.89 116.57 119.82 2wac h LYS 726 Ca 0.02 -0.06 -0.09 0.00 -2.18 0.00 0.00 60.65 58.34 2wac h LYS 726 Cb 0.83 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.39 2wac h LYS 726 CO 0.07 0.38 -0.18 1.25 -1.08 0.00 0.00 179.45 179.89 2wac h LEU 727 N 0.36 0.68 -0.67 2.94 5.85 -1.43 -2.42 115.31 120.63 2wac h LEU 727 Ca 0.11 -0.42 0.11 0.00 0.84 0.00 0.00 57.88 58.51 2wac h LEU 727 Cb 0.09 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 40.85 2wac h LEU 727 CO -0.02 0.95 0.27 -0.08 -0.34 0.00 0.00 178.44 179.23 2wac h GLU 728 N 0.40 0.44 -0.36 1.25 4.81 -1.36 0.07 114.58 119.83 2wac h GLU 728 Ca 0.06 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 2wac h GLU 728 Cb 0.71 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 2wac h GLU 728 CO 0.05 0.29 -0.07 1.03 -0.73 0.00 0.00 179.01 179.58 2wac h SER 729 N 0.45 0.68 -0.34 1.04 0.87 -1.31 -2.59 113.55 112.34 2wac h SER 729 Ca 0.34 -0.35 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2wac h SER 729 Cb 0.45 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 2wac h SER 729 CO -0.33 0.88 0.20 0.25 -0.53 0.00 0.00 176.83 177.30 2wac h LEU 730 N 0.48 0.42 -1.31 2.23 6.46 -0.91 -1.96 115.31 120.72 2wac h LEU 730 Ca 0.09 -0.06 -0.06 0.00 -0.12 0.00 0.00 57.88 57.73 2wac h LEU 730 Cb 0.57 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.38 2wac h LEU 730 CO 0.03 0.36 -0.14 0.24 -0.62 0.00 0.00 178.44 178.31 2wac h MET 731 N 0.44 0.29 -0.13 1.25 2.86 -1.00 -0.34 114.93 118.29 2wac h MET 731 Ca 0.12 -0.07 -0.20 0.00 -2.06 0.00 0.00 59.70 57.49 2wac h MET 731 Cb 0.02 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.65 2wac h MET 731 CO -0.02 0.44 -0.72 1.03 1.06 0.00 0.00 176.91 178.69 2wac h SER 732 N 0.27 0.71 0.17 1.22 0.87 -1.27 -2.00 113.55 113.52 2wac h SER 732 Ca 0.05 -0.45 -0.21 0.00 -1.23 0.00 0.00 61.79 59.96 2wac h SER 732 Cb 0.42 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2wac h SER 732 CO 0.03 1.21 -0.81 0.11 -0.53 0.00 0.00 176.83 176.83 2wac h LYS 733 N 0.42 0.51 -0.32 2.24 1.57 -1.07 -2.69 116.57 117.23 2wac h LYS 733 Ca -0.03 -0.46 -0.05 0.00 -1.87 0.00 0.00 60.65 58.24 2wac h LYS 733 Cb 1.31 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.72 2wac h LYS 733 CO 0.14 1.09 0.00 1.25 -0.57 0.00 0.00 179.45 181.36 2wac h LEU 734 N 0.33 0.56 -0.32 2.94 5.85 -1.10 -0.83 115.31 122.74 2wac h LEU 734 Ca -0.05 -0.31 0.04 0.00 0.84 0.00 0.00 57.88 58.40 2wac h LEU 734 Cb 1.42 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.26 2wac h LEU 734 CO 0.15 0.73 0.07 -0.74 -0.34 0.00 0.00 178.44 178.31 2wac h HIS 735 N 0.37 0.12 -0.52 1.25 2.76 -1.40 -1.73 115.15 116.00 2wac h HIS 735 Ca 0.09 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.20 2wac h HIS 735 Cb 0.44 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.38 2wac h HIS 735 CO 0.04 0.03 0.00 0.00 -1.30 0.00 0.00 177.93 176.70 2wac h ALA 736 N 1.23 0.70 -0.22 5.26 0.00 -1.41 -1.80 119.26 123.03 2wac h ALA 736 Ca 0.15 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.80 2wac h ALA 736 Cb 0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2wac h ALA 736 CO -0.19 0.52 0.05 0.22 0.00 0.00 0.00 179.25 179.84 2wac h ASP 737 N 0.79 0.02 0.92 0.00 1.82 -0.99 -0.63 116.42 118.34 2wac h ASP 737 Ca 0.15 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.82 2wac h ASP 737 Cb 0.52 0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.57 2wac h ASP 737 CO 0.03 0.04 -0.11 0.49 -1.61 0.00 0.00 179.24 178.07 2wac n PHE 738 N -5.08 0.05 0.05 0.28 3.01 -0.66 -1.04 117.46 114.06 2wac n PHE 738 Ca -0.02 0.02 -0.21 0.00 1.01 0.00 0.00 57.45 58.24 2wac n PHE 738 Cb 0.09 -0.47 -0.14 0.00 -0.01 0.00 0.00 39.48 38.95 2wac n PHE 738 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 2wac h GLN 739 N 0.00 0.32 -0.32 -1.08 4.15 -1.13 -3.08 115.11 113.97 2wac h GLN 739 Ca 0.00 -0.55 -0.17 0.00 0.77 0.00 0.00 58.65 58.71 2wac h GLN 739 Cb 0.51 0.20 -0.00 0.00 0.21 0.00 0.00 27.48 28.41 2wac h GLN 739 CO 0.00 1.23 -0.45 1.03 -1.93 0.00 0.00 178.83 178.71 2wac h SER 740 N 0.09 0.95 -2.62 -0.69 0.87 -1.01 -3.38 113.55 107.76 2wac h SER 740 Ca -0.36 -0.50 -0.60 0.00 -1.23 0.00 0.00 61.79 59.10 2wac h SER 740 Cb 2.07 -0.27 -0.40 0.00 -0.44 0.00 0.00 62.40 63.36 2wac h SER 740 CO 0.14 1.26 -0.82 -3.20 -0.53 0.00 0.00 176.83 173.69 2wac n ASN 741 N -4.07 0.95 -4.74 6.23 5.15 -0.21 -5.10 115.26 113.46 2wac n ASN 741 Ca -0.04 -2.72 -0.41 0.00 -0.60 0.00 0.00 54.58 50.81 2wac n ASN 741 Cb 0.57 -0.63 -0.03 0.00 -0.53 0.00 0.00 39.78 39.16 2wac n ASN 741 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2wac s PRO 742 N -0.61 4.41 0.75 1.20 0.02 -1.17 -4.55 135.00 135.05 2wac s PRO 742 Ca 0.30 2.04 -0.11 0.00 0.02 0.00 0.00 61.00 63.26 2wac s PRO 742 Cb 0.02 -3.18 0.04 0.00 0.02 0.00 0.00 34.50 31.40 2wac s PRO 742 CO -0.18 -0.19 1.08 -1.25 -0.33 0.00 0.00 177.00 176.12 2wac s PRO 743 N -0.49 2.49 -0.29 5.54 0.05 -1.26 -5.00 135.00 136.05 2wac s PRO 743 Ca 0.54 0.88 -0.23 0.00 0.05 0.00 0.00 61.00 62.24 2wac s PRO 743 Cb -0.36 -1.95 -0.00 0.00 0.05 0.00 0.00 34.50 32.24 2wac s PRO 743 CO 0.41 -1.40 0.75 0.42 0.05 0.00 0.00 177.00 177.23 2wac s ILE 744 N -3.05 4.85 0.18 0.56 -1.09 -1.26 -5.02 121.20 116.37 2wac s ILE 744 Ca 0.60 1.20 -0.32 0.00 -2.23 0.00 0.00 60.65 59.90 2wac s ILE 744 Cb -0.15 -4.09 -0.11 0.00 -1.58 0.00 0.00 42.46 36.54 2wac s ILE 744 CO 0.55 -0.16 1.64 0.00 -1.23 0.00 0.00 174.94 175.74 2wac s ALA 745 N 2.82 3.85 0.00 9.38 0.00 -1.26 -2.73 121.76 133.81 2wac s ALA 745 Ca 0.31 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.73 2wac s ALA 745 Cb -0.15 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.32 2wac s ALA 745 CO 0.11 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.43 2wac n GLY 746 N 3.86 0.87 0.01 0.00 0.00 -1.25 -4.92 105.19 103.76 2wac n GLY 746 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 2wac n GLY 746 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wac n SER 747 N 0.00 0.40 -4.28 1.61 3.41 -1.11 -4.82 113.62 108.82 2wac n SER 747 Ca 0.00 -0.01 -0.32 0.00 -0.26 0.00 0.00 58.87 58.28 2wac n SER 747 Cb 0.00 0.04 -0.16 0.00 -0.26 0.00 0.00 64.21 63.82 2wac n SER 747 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2wac s TYR 748 N -3.02 2.51 -0.03 7.33 5.04 -1.26 -5.11 117.35 122.81 2wac s TYR 748 Ca 0.11 -0.73 0.02 0.00 -2.44 0.00 0.00 57.07 54.04 2wac s TYR 748 Cb 0.17 -1.64 0.01 0.00 0.35 0.00 0.00 41.96 40.85 2wac s TYR 748 CO 0.66 -0.22 -0.10 -0.08 -1.34 0.00 0.00 175.55 174.47 2wac s THR 749 N -0.07 0.84 0.38 4.34 -1.32 -1.26 -4.58 115.64 113.97 2wac s THR 749 Ca -0.06 -0.38 -0.00 0.00 -1.21 0.00 0.00 61.69 60.04 2wac s THR 749 Cb -0.14 -0.76 -0.03 0.00 -1.51 0.00 0.00 72.50 70.06 2wac s THR 749 CO 0.05 0.27 0.60 -2.16 -2.21 0.00 0.00 174.62 171.16 2wac s PRO 750 N 0.28 3.43 0.19 7.08 0.04 -1.26 -5.11 135.00 139.65 2wac s PRO 750 Ca -0.05 -0.28 -0.01 0.00 0.04 0.00 0.00 61.00 60.70 2wac s PRO 750 Cb -0.10 -2.60 -0.04 0.00 0.04 0.00 0.00 34.50 31.79 2wac s PRO 750 CO 0.01 0.03 0.39 0.15 0.04 0.00 0.00 177.00 177.62 2wac s LYS 751 N -4.42 3.52 0.05 4.56 1.02 -1.26 -4.95 119.74 118.27 2wac s LYS 751 Ca 0.42 -0.33 -0.34 0.00 0.02 0.00 0.00 55.97 55.74 2wac s LYS 751 Cb -0.10 -2.84 -0.13 0.00 -0.52 0.00 0.00 37.83 34.24 2wac s LYS 751 CO 0.38 0.41 1.69 2.89 -0.92 0.00 0.00 175.35 179.79 2wac n ARG 752 N -0.59 2.09 0.00 1.68 1.85 -1.26 -2.24 116.66 118.20 2wac n ARG 752 Ca -0.05 0.76 0.00 0.00 -1.00 0.00 0.00 57.85 57.56 2wac n ARG 752 Cb 0.54 -2.55 0.00 0.00 -1.05 0.00 0.00 32.46 29.40 2wac n ARG 752 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2wac n GLY 753 N 3.77 1.90 3.77 2.89 0.00 0.20 -5.01 105.19 112.71 2wac n GLY 753 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2wac n GLY 753 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wac n ASP 754 N 0.00 3.85 -4.64 1.61 9.92 -0.95 -4.62 116.55 121.72 2wac n ASP 754 Ca 0.00 1.20 -0.40 0.00 -0.53 0.00 0.00 54.79 55.06 2wac n ASP 754 Cb 0.00 -1.61 -0.07 0.00 -0.64 0.00 0.00 41.12 38.79 2wac n ASP 754 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2wac s LEU 755 N -1.44 4.10 0.34 0.64 2.96 -1.26 -0.66 118.68 123.36 2wac s LEU 755 Ca 0.57 0.61 0.03 0.00 -0.22 0.00 0.00 54.13 55.13 2wac s LEU 755 Cb -0.48 -2.70 -0.04 0.00 0.50 0.00 0.00 46.19 43.47 2wac s LEU 755 CO 0.58 -0.24 0.10 0.68 -1.32 0.00 0.00 176.35 176.15 2wac s VAL 756 N 1.97 0.76 -0.20 1.68 -7.23 0.94 -4.22 120.40 114.09 2wac s VAL 756 Ca 0.23 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.29 2wac s VAL 756 Cb -0.15 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.16 2wac s VAL 756 CO 0.09 0.00 0.16 0.00 -0.31 0.00 0.00 175.10 175.05 2wac s ALA 757 N -3.39 3.66 -0.07 1.32 0.00 -0.42 -1.02 121.76 121.83 2wac s ALA 757 Ca 0.32 -0.70 0.04 0.00 0.00 0.00 0.00 51.96 51.62 2wac s ALA 757 Cb 0.06 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.94 2wac s ALA 757 CO 0.15 0.06 -0.19 0.00 0.00 0.00 0.00 175.76 175.78 2wac s ALA 758 N 0.55 1.79 -0.67 0.00 0.00 -0.07 -0.97 121.76 122.39 2wac s ALA 758 Ca 0.09 -0.77 -0.24 0.00 0.00 0.00 0.00 51.96 51.05 2wac s ALA 758 Cb -0.12 -0.67 0.06 0.00 0.00 0.00 0.00 23.12 22.39 2wac s ALA 758 CO 0.00 0.25 1.03 -1.14 0.00 0.00 0.00 175.76 175.90 2wac s GLN 759 N 0.32 3.15 0.15 0.00 0.74 -0.58 -0.89 119.66 122.56 2wac s GLN 759 Ca -0.13 -0.65 -0.34 0.00 0.05 0.00 0.00 55.36 54.28 2wac s GLN 759 Cb -0.16 -4.20 -0.15 0.00 1.10 0.00 0.00 33.01 29.61 2wac s GLN 759 CO 0.06 -1.86 1.47 0.34 -0.55 0.00 0.00 175.29 174.75 2wac n PHE 760 N 8.04 2.02 0.28 1.67 7.35 -0.43 -4.86 117.46 131.53 2wac n PHE 760 Ca -0.02 0.40 0.17 0.00 -0.76 0.00 0.00 57.45 57.25 2wac n PHE 760 Cb 0.46 -2.47 0.78 0.00 0.35 0.00 0.00 39.48 38.60 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 3.41 0.12 -0.04 -2.13 1.35 -1.94 -1.07 112.91 112.62 2wac h THR 761 Ca -0.45 -0.47 -0.03 0.00 -0.55 0.00 0.00 66.41 64.90 2wac h THR 761 Cb 1.28 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 2wac h THR 761 CO 0.83 0.04 -0.09 0.25 -0.25 0.00 0.00 175.52 176.30 2wac h LEU 762 N 0.00 0.14 -0.70 3.87 5.85 -1.97 -3.39 115.31 119.12 2wac h LEU 762 Ca -0.00 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 58.12 2wac h LEU 762 Cb 0.41 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2wac h LEU 762 CO 0.00 0.71 -0.01 -0.90 -0.34 0.00 0.00 178.44 177.91 2wac n ASP 763 N -4.68 0.72 -1.99 1.25 5.75 -1.21 -5.01 116.55 111.38 2wac n ASP 763 Ca -0.08 -0.86 -0.20 0.00 -0.01 0.00 0.00 54.79 53.63 2wac n ASP 763 Cb 0.36 0.32 -0.05 0.00 -1.03 0.00 0.00 41.12 40.72 2wac n ASP 763 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2wac n ASN 764 N -0.30 -5.49 -4.95 -1.12 3.02 -0.41 -5.01 115.26 101.00 2wac n ASN 764 Ca 0.00 0.25 -0.25 0.00 -0.03 0.00 0.00 54.58 54.55 2wac n ASN 764 Cb 0.01 -4.72 -0.03 0.00 -0.61 0.00 0.00 39.78 34.44 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 -4.37 3.42 -0.10 3.52 -1.52 -1.26 -4.83 119.66 114.52 2wac s GLN 765 Ca 0.00 -0.64 -0.17 0.00 -1.95 0.00 0.00 55.36 52.60 2wac s GLN 765 Cb 0.00 -2.94 -0.04 0.00 -0.22 0.00 0.00 33.01 29.81 2wac s GLN 765 CO 0.00 0.50 0.45 -1.58 -0.25 0.00 0.00 175.29 174.41 2wac s TRP 766 N -1.80 3.54 0.17 0.91 0.52 -1.26 -1.32 118.94 119.70 2wac s TRP 766 Ca 0.34 0.87 0.06 0.00 0.02 0.00 0.00 56.10 57.40 2wac s TRP 766 Cb -0.11 -2.49 -0.04 0.00 -1.15 0.00 0.00 33.47 29.68 2wac s TRP 766 CO 0.28 0.25 -0.13 0.71 0.02 0.00 0.00 176.95 178.08 2wac s TYR 767 N 0.35 1.51 0.19 -1.98 1.51 -0.07 -4.79 117.35 114.07 2wac s TYR 767 Ca 0.24 -0.62 -0.30 0.00 -1.01 0.00 0.00 57.07 55.39 2wac s TYR 767 Cb -0.15 -0.74 -0.08 0.00 -0.11 0.00 0.00 41.96 40.88 2wac s TYR 767 CO 0.10 0.22 1.18 1.03 -1.11 0.00 0.00 175.55 176.97 2wac s ARG 768 N -3.40 4.51 -0.03 -0.62 0.52 -1.26 -0.89 118.95 117.78 2wac s ARG 768 Ca 0.17 1.86 -0.11 0.00 -0.52 0.00 0.00 55.73 57.13 2wac s ARG 768 Cb -0.01 -3.24 0.02 0.00 0.52 0.00 0.00 34.95 32.24 2wac s ARG 768 CO 0.04 -0.05 0.24 0.00 0.02 0.00 0.00 175.30 175.55 2wac s ALA 769 N -0.18 -0.60 -0.19 2.13 0.00 -0.19 -2.84 121.76 119.89 2wac s ALA 769 Ca 0.52 0.28 -0.07 0.00 0.00 0.00 0.00 51.96 52.69 2wac s ALA 769 Cb -0.32 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 2wac s ALA 769 CO 0.37 -0.21 0.05 0.21 0.00 0.00 0.00 175.76 176.18 2wac s LYS 770 N -0.99 3.87 -0.31 0.00 2.20 -0.21 -0.04 119.74 124.26 2wac s LYS 770 Ca -0.11 -0.40 -0.29 0.00 -0.36 0.00 0.00 55.97 54.82 2wac s LYS 770 Cb -0.05 -3.19 0.01 0.00 -1.51 0.00 0.00 37.83 33.09 2wac s LYS 770 CO 0.02 0.18 1.16 0.08 -0.36 0.00 0.00 175.35 176.43 2wac s VAL 771 N 0.61 4.37 -0.16 4.02 1.01 0.16 -1.00 120.40 129.42 2wac s VAL 771 Ca 0.02 1.57 0.11 0.00 0.00 0.00 0.00 61.98 63.68 2wac s VAL 771 Cb -0.13 -4.32 -0.23 0.00 0.00 0.00 0.00 36.38 31.69 2wac s VAL 771 CO 0.02 -0.48 0.22 -0.62 0.00 0.00 0.00 175.10 174.23 2wac n GLU 772 N 7.03 0.68 -3.75 2.72 1.02 0.28 0.62 120.64 129.24 2wac n GLU 772 Ca 0.13 0.14 -0.13 0.00 -0.02 0.00 0.00 57.16 57.28 2wac n GLU 772 Cb 0.47 -1.62 -0.11 0.00 -0.02 0.00 0.00 31.44 30.16 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 -2.53 0.40 -0.08 3.49 3.52 -1.11 -4.68 118.95 117.95 2wac s ARG 773 Ca -0.15 0.52 0.04 0.00 -0.13 0.00 0.00 55.73 56.01 2wac s ARG 773 Cb 0.07 0.16 -0.01 0.00 -1.56 0.00 0.00 34.95 33.61 2wac s ARG 773 CO 0.78 -0.06 -0.20 0.08 -0.81 0.00 0.00 175.30 175.08 2wac s VAL 774 N 0.34 2.45 -0.32 7.11 1.01 -1.26 -0.25 120.40 129.48 2wac s VAL 774 Ca -0.01 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.04 2wac s VAL 774 Cb -0.03 -1.95 0.12 0.00 0.00 0.00 0.00 36.38 34.52 2wac s VAL 774 CO -0.01 0.56 0.17 -1.58 0.00 0.00 0.00 175.10 174.24 2wac s GLN 775 N -0.01 0.36 7.95 2.72 2.00 -0.31 -5.01 119.66 127.36 2wac s GLN 775 Ca -0.07 -0.90 0.00 0.00 -2.00 0.00 0.00 55.36 52.39 2wac s GLN 775 Cb -0.15 -1.21 0.00 0.00 0.80 0.00 0.00 33.01 32.45 2wac s GLN 775 CO 0.05 -1.11 0.00 0.41 -0.50 0.00 0.00 175.29 174.14 2wac n GLY 776 N 4.67 4.16 0.01 2.59 0.00 -1.26 -2.59 105.19 112.77 2wac n GLY 776 Ca 0.03 0.11 0.15 0.00 0.00 0.00 0.00 46.02 46.31 2wac n GLY 776 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wac n SER 777 N 9.07 0.03 -4.36 1.61 7.64 -1.26 -4.87 113.62 121.48 2wac n SER 777 Ca 0.00 -0.21 -0.20 0.00 1.01 0.00 0.00 58.87 59.47 2wac n SER 777 Cb 0.00 -0.26 -0.10 0.00 -1.01 0.00 0.00 64.21 62.84 2wac n SER 777 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2wac s ASN 778 N -2.54 2.74 0.03 6.43 0.01 -1.07 -0.59 114.94 119.95 2wac s ASN 778 Ca 0.29 -0.98 0.01 0.00 -0.71 0.00 0.00 52.86 51.47 2wac s ASN 778 Cb 0.20 -0.16 -0.02 0.00 0.41 0.00 0.00 41.25 41.68 2wac s ASN 778 CO 0.46 -0.11 -0.04 0.00 -1.51 0.00 0.00 177.10 175.90 2wac s ALA 779 N -2.67 0.28 -0.26 0.60 0.00 0.12 -1.16 121.76 118.67 2wac s ALA 779 Ca 0.22 -0.68 -0.12 0.00 0.00 0.00 0.00 51.96 51.37 2wac s ALA 779 Cb -0.03 0.13 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 2wac s ALA 779 CO 0.08 -0.14 0.25 0.99 0.00 0.00 0.00 175.76 176.94 2wac s THR 780 N -1.62 5.28 0.16 0.00 2.01 0.66 -0.60 115.64 121.53 2wac s THR 780 Ca -0.13 0.32 0.11 0.00 0.31 0.00 0.00 61.69 62.30 2wac s THR 780 Cb -0.09 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 2wac s THR 780 CO -0.01 0.25 -0.25 0.68 -0.69 0.00 0.00 174.62 174.60 2wac s VAL 781 N 1.64 2.23 -0.18 3.82 -7.23 -0.42 -0.55 120.40 119.71 2wac s VAL 781 Ca 0.10 -1.88 -0.04 0.00 -1.81 0.00 0.00 61.98 58.36 2wac s VAL 781 Cb -0.15 -2.01 -0.02 0.00 0.56 0.00 0.00 36.38 34.75 2wac s VAL 781 CO 0.09 -0.04 -0.04 -0.22 -0.31 0.00 0.00 175.10 174.58 2wac s LEU 782 N -2.36 3.10 -0.81 1.32 2.96 -0.17 -1.99 118.68 120.74 2wac s LEU 782 Ca 0.17 -0.23 -0.26 0.00 -0.22 0.00 0.00 54.13 53.58 2wac s LEU 782 Cb -0.09 -1.76 0.04 0.00 0.50 0.00 0.00 46.19 44.87 2wac s LEU 782 CO 0.08 0.10 1.31 -0.31 -1.32 0.00 0.00 176.35 176.20 2wac s TYR 783 N 0.80 2.36 0.15 5.38 2.02 0.07 -1.04 117.35 127.09 2wac s TYR 783 Ca -0.01 -0.26 0.34 0.00 -0.37 0.00 0.00 57.07 56.77 2wac s TYR 783 Cb -0.15 -4.64 1.64 0.00 -0.40 0.00 0.00 41.96 38.42 2wac s TYR 783 CO 0.02 -2.03 2.03 -0.84 -1.57 0.00 0.00 175.55 173.15 2wac h ILE 784 N 6.21 0.00 -0.02 2.71 3.07 -1.83 0.17 117.51 127.82 2wac h ILE 784 Ca -0.16 -0.22 0.00 0.00 1.55 0.00 0.00 64.86 66.03 2wac h ILE 784 Cb 1.04 1.10 0.00 0.00 -0.27 0.00 0.00 36.82 38.69 2wac h ILE 784 CO 1.31 0.00 -0.19 0.47 -1.05 0.00 0.00 178.15 178.69 2wac n ASP 785 N -2.83 2.10 0.00 2.16 8.00 -1.26 -2.70 116.55 122.02 2wac n ASP 785 Ca -0.01 -1.58 0.00 0.00 0.71 0.00 0.00 54.79 53.92 2wac n ASP 785 Cb 0.17 0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 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 0.38 0.00 0.00 1.24 4.01 -0.69 -3.97 117.16 118.13 2wac n TYR 786 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 2wac n TYR 786 Cb 0.47 0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 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 2.16 1.68 3.82 2.72 0.00 0.50 -4.02 105.19 112.06 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 6.20 0.16 1.61 4.22 -1.26 -4.80 114.94 119.19 2wac s ASN 788 Ca 0.00 1.72 0.10 0.00 -2.14 0.00 0.00 52.86 52.53 2wac s ASN 788 Cb 0.00 -2.52 -0.04 0.00 1.28 0.00 0.00 41.25 39.96 2wac s ASN 788 CO 0.00 -0.88 -0.21 -0.54 -2.04 0.00 0.00 177.10 173.43 2wac s LYS 789 N -4.00 1.33 0.09 3.55 1.02 -1.26 -0.75 119.74 119.71 2wac s LYS 789 Ca 0.62 -1.39 -0.17 0.00 0.02 0.00 0.00 55.97 55.04 2wac s LYS 789 Cb -0.13 -1.55 0.04 0.00 -0.52 0.00 0.00 37.83 35.66 2wac s LYS 789 CO 0.33 0.34 0.42 -1.83 -0.92 0.00 0.00 175.35 173.68 2wac s GLU 790 N -2.52 1.01 -0.15 1.68 -1.05 -0.84 -5.01 118.70 111.82 2wac s GLU 790 Ca 0.15 -0.54 -0.12 0.00 -0.15 0.00 0.00 54.97 54.31 2wac s GLU 790 Cb -0.08 0.45 -0.05 0.00 -0.44 0.00 0.00 34.13 34.02 2wac s GLU 790 CO 0.07 -0.38 0.24 0.99 0.95 0.00 0.00 175.26 177.14 2wac s THR 791 N -3.20 5.33 -0.10 1.83 2.01 -1.26 -1.31 115.64 118.95 2wac s THR 791 Ca -0.01 0.45 -0.09 0.00 0.31 0.00 0.00 61.69 62.35 2wac s THR 791 Cb 0.01 -3.57 0.03 0.00 0.01 0.00 0.00 72.50 68.97 2wac s THR 791 CO -0.08 0.46 0.26 -0.22 -0.69 0.00 0.00 174.62 174.35 2wac s LEU 792 N 0.06 0.98 0.44 4.42 2.96 0.23 -4.96 118.68 122.81 2wac s LEU 792 Ca 0.15 0.53 -0.25 0.00 -0.22 0.00 0.00 54.13 54.34 2wac s LEU 792 Cb -0.13 0.91 -0.09 0.00 0.50 0.00 0.00 46.19 47.38 2wac s LEU 792 CO 0.04 -0.09 1.36 -2.65 -1.32 0.00 0.00 176.35 173.68 2wac n PRO 793 N 2.95 2.11 0.23 0.98 -0.02 -1.26 0.14 135.00 140.13 2wac n PRO 793 Ca -0.13 0.75 0.16 0.00 -2.02 0.00 0.00 63.50 62.26 2wac n PRO 793 Cb 0.58 -2.52 0.68 0.00 -0.02 0.00 0.00 33.50 32.23 2wac n PRO 793 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2wac h THR 794 N 2.21 0.00 0.00 3.45 1.35 -1.15 -2.23 112.91 116.54 2wac h THR 794 Ca -0.49 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 2wac h THR 794 Cb 1.28 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 2wac h THR 794 CO 0.61 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.42 2wac n ASN 795 N -2.77 0.00 -1.40 5.36 0.23 -1.26 -1.67 115.26 113.75 2wac n ASN 795 Ca 0.01 0.05 0.09 0.00 -0.53 0.00 0.00 54.58 54.20 2wac n ASN 795 Cb 0.24 -0.28 0.32 0.00 -2.08 0.00 0.00 39.78 37.98 2wac n ASN 795 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2wac n ARG 796 N -1.28 3.51 -4.62 -3.83 1.74 -0.84 -3.83 116.66 107.51 2wac n ARG 796 Ca 0.07 -2.78 -0.32 0.00 -0.77 0.00 0.00 57.85 54.06 2wac n ARG 796 Cb 0.12 -1.80 -0.12 0.00 -1.02 0.00 0.00 32.46 29.65 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 -1.79 2.87 0.09 0.55 1.43 -0.67 -1.52 118.68 119.64 2wac s LEU 797 Ca 0.47 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 53.31 2wac s LEU 797 Cb 0.30 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 2wac s LEU 797 CO 0.23 0.29 -0.02 0.00 0.23 0.00 0.00 176.35 177.08 2wac s ALA 798 N -0.92 0.79 0.16 4.21 0.00 -0.15 -4.59 121.76 121.28 2wac s ALA 798 Ca 0.15 -1.34 -0.32 0.00 0.00 0.00 0.00 51.96 50.45 2wac s ALA 798 Cb -0.11 0.39 -0.10 0.00 0.00 0.00 0.00 23.12 23.31 2wac s ALA 798 CO 0.05 -0.35 1.60 0.00 0.00 0.00 0.00 175.76 177.05 2wac s ALA 799 N -3.84 3.79 -0.08 0.00 0.00 -1.26 -1.30 121.76 119.06 2wac s ALA 799 Ca 0.14 1.39 -0.30 0.00 0.00 0.00 0.00 51.96 53.19 2wac s ALA 799 Cb 0.07 -3.64 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 2wac s ALA 799 CO -0.05 -0.82 1.03 -1.17 0.00 0.00 0.00 175.76 174.75 2wac s LEU 800 N 1.26 4.27 0.18 0.00 2.96 -1.26 -4.59 118.68 121.49 2wac s LEU 800 Ca 0.71 1.59 -0.32 0.00 -0.22 0.00 0.00 54.13 55.89 2wac s LEU 800 Cb -0.44 -3.56 -0.11 0.00 0.50 0.00 0.00 46.19 42.58 2wac s LEU 800 CO 0.31 -0.44 1.62 -2.84 -1.32 0.00 0.00 176.35 173.68 2wac s PRO 801 N 1.88 4.19 0.60 0.98 0.02 -1.26 -4.85 135.00 136.56 2wac s PRO 801 Ca 0.50 2.44 0.29 0.00 0.02 0.00 0.00 61.00 64.25 2wac s PRO 801 Cb -0.20 -3.13 1.03 0.00 0.02 0.00 0.00 34.50 32.22 2wac s PRO 801 CO 0.20 -0.65 1.36 -1.35 -0.33 0.00 0.00 177.00 176.23 2wac h PRO 802 N 6.78 0.00 0.00 5.54 0.11 -1.99 0.29 132.00 142.72 2wac h PRO 802 Ca -0.43 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 2wac h PRO 802 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2wac h PRO 802 CO 0.93 0.00 -0.16 0.00 -0.21 0.00 0.00 178.00 178.56 2wac h ALA 803 N 0.63 1.49 -0.14 -0.75 0.00 -2.04 -2.93 119.26 115.51 2wac h ALA 803 Ca 0.52 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2wac h ALA 803 Cb 2.91 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 20.67 2wac h ALA 803 CO -0.01 0.20 0.00 1.19 0.00 0.00 0.00 179.25 180.63 2wac n PHE 804 N -3.99 0.16 1.00 0.00 3.72 0.10 -4.53 117.46 113.92 2wac n PHE 804 Ca -0.02 -0.09 0.10 0.00 -0.05 0.00 0.00 57.45 57.39 2wac n PHE 804 Cb 0.24 -0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.68 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 1.28 1.01 0.02 4.37 7.64 -1.11 -4.50 113.62 122.33 2wac n SER 805 Ca 0.15 -0.99 -0.15 0.00 1.01 0.00 0.00 58.87 58.88 2wac n SER 805 Cb 0.55 0.97 -0.14 0.00 -1.01 0.00 0.00 64.21 64.58 2wac n SER 805 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2wac h SER 806 N 0.06 0.25 -3.31 6.43 4.64 -1.80 -3.46 113.55 116.37 2wac h SER 806 Ca 0.00 -0.45 -0.53 0.00 -0.47 0.00 0.00 61.79 60.34 2wac h SER 806 Cb 0.51 -0.08 0.06 0.00 -0.31 0.00 0.00 62.40 62.58 2wac h SER 806 CO 0.00 1.40 0.81 -1.61 -0.87 0.00 0.00 176.83 176.56 2wac s GLU 807 N -2.60 4.21 0.74 4.77 2.02 -1.26 -4.99 118.70 121.60 2wac s GLU 807 Ca -0.11 2.40 -0.14 0.00 0.02 0.00 0.00 54.97 57.14 2wac s GLU 807 Cb 0.07 -3.08 0.04 0.00 0.10 0.00 0.00 34.13 31.26 2wac s GLU 807 CO 0.82 -0.51 1.15 0.15 0.02 0.00 0.00 175.26 176.89 2wac s LYS 808 N -0.27 2.21 0.26 1.61 3.01 -1.26 -4.93 119.74 120.37 2wac s LYS 808 Ca 0.62 1.53 -0.30 0.00 -1.01 0.00 0.00 55.97 56.80 2wac s LYS 808 Cb -0.44 -1.87 -0.13 0.00 -1.01 0.00 0.00 37.83 34.38 2wac s LYS 808 CO 0.44 -1.73 1.33 -2.30 0.51 0.00 0.00 175.35 173.59 2wac n PRO 809 N -2.94 1.91 0.00 -1.68 -0.02 -1.26 -4.89 135.00 126.12 2wac n PRO 809 Ca 0.12 0.68 0.14 0.00 -2.02 0.00 0.00 63.50 62.42 2wac n PRO 809 Cb 0.51 -2.28 0.67 0.00 -0.02 0.00 0.00 33.50 32.39 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 1.41 0.00 -4.90 6.00 4.01 -1.23 -4.76 117.16 117.69 2wac n TYR 810 Ca 0.10 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.56 2wac n TYR 810 Cb 0.32 -0.18 -0.15 0.00 -0.31 0.00 0.00 39.34 39.02 2wac n TYR 810 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2wac s ALA 811 N -2.44 1.98 -0.05 -0.72 0.00 -1.10 -4.24 121.76 115.19 2wac s ALA 811 Ca 0.31 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 51.20 2wac s ALA 811 Cb 0.20 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.89 2wac s ALA 811 CO 0.46 0.47 -0.15 0.99 0.00 0.00 0.00 175.76 177.53 2wac s THR 812 N -0.71 1.27 0.14 0.00 2.01 -0.73 -4.85 115.64 112.78 2wac s THR 812 Ca 0.09 -0.61 -0.25 0.00 0.31 0.00 0.00 61.69 61.23 2wac s THR 812 Cb -0.09 -1.12 -0.07 0.00 0.01 0.00 0.00 72.50 71.23 2wac s THR 812 CO 0.01 0.38 0.78 -0.70 -0.69 0.00 0.00 174.62 174.39 2wac s GLU 813 N 0.23 4.56 0.09 4.92 2.12 -1.26 -1.45 118.70 127.91 2wac s GLU 813 Ca -0.07 1.14 0.03 0.00 0.36 0.00 0.00 54.97 56.43 2wac s GLU 813 Cb -0.12 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 2wac s GLU 813 CO 0.03 0.50 -0.08 0.71 -0.54 0.00 0.00 175.26 175.88 2wac s TYR 814 N -0.89 0.94 -0.11 5.30 2.02 0.30 -4.19 117.35 120.72 2wac s TYR 814 Ca 0.37 -0.73 -0.14 0.00 -0.37 0.00 0.00 57.07 56.20 2wac s TYR 814 Cb -0.23 -0.53 -0.05 0.00 -0.40 0.00 0.00 41.96 40.76 2wac s TYR 814 CO 0.26 -0.06 0.34 0.00 -1.57 0.00 0.00 175.55 174.51 2wac s ALA 815 N -2.72 3.62 -0.11 3.71 0.00 -0.13 -1.10 121.76 125.03 2wac s ALA 815 Ca 0.06 -0.37 -0.29 0.00 0.00 0.00 0.00 51.96 51.35 2wac s ALA 815 Cb -0.01 -2.40 -0.05 0.00 0.00 0.00 0.00 23.12 20.67 2wac s ALA 815 CO -0.02 0.21 1.73 -1.17 0.00 0.00 0.00 175.76 176.51 2wac s LEU 816 N -0.00 4.12 0.13 0.00 2.96 -1.06 -0.98 118.68 123.85 2wac s LEU 816 Ca 0.20 2.05 -0.31 0.00 -0.22 0.00 0.00 54.13 55.84 2wac s LEU 816 Cb -0.14 -3.53 -0.11 0.00 0.50 0.00 0.00 46.19 42.91 2wac s LEU 816 CO 0.07 -1.14 1.82 0.00 -1.32 0.00 0.00 176.35 175.78 2wac n ALA 817 N 8.01 2.24 -1.43 5.97 0.00 -0.33 -3.20 120.51 131.77 2wac n ALA 817 Ca 0.19 0.33 -0.15 0.00 0.00 0.00 0.00 53.44 53.81 2wac n ALA 817 Cb 0.44 -2.58 -0.06 0.00 0.00 0.00 0.00 19.45 17.25 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 5.37 -1.03 -4.56 0.00 4.77 -1.26 -4.91 117.00 115.37 2wac n LEU 818 Ca 0.18 0.37 -0.34 0.00 -0.03 0.00 0.00 56.01 56.18 2wac n LEU 818 Cb 0.37 -2.26 -0.11 0.00 -2.33 0.00 0.00 43.42 39.08 2wac n LEU 818 CO 0.66 -0.82 -0.29 -0.69 -1.33 0.00 0.00 177.39 174.92 2wac s VAL 819 N -2.50 4.40 -0.08 4.08 1.01 -1.19 -0.33 120.40 125.78 2wac s VAL 819 Ca 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 61.85 2wac s VAL 819 Cb 0.00 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 2wac s VAL 819 CO 0.00 0.46 -0.19 0.00 0.00 0.00 0.00 175.10 175.37 2wac s ALA 820 N 0.53 2.41 0.55 5.51 0.00 0.25 -4.89 121.76 126.13 2wac s ALA 820 Ca 0.01 -0.98 -0.21 0.00 0.00 0.00 0.00 51.96 50.78 2wac s ALA 820 Cb -0.13 -0.91 -0.05 0.00 0.00 0.00 0.00 23.12 22.03 2wac s ALA 820 CO 0.02 0.39 1.26 -0.51 0.00 0.00 0.00 175.76 176.92 2wac s LEU 821 N -0.11 3.81 0.99 0.00 1.43 -1.26 0.07 118.68 123.61 2wac s LEU 821 Ca -0.03 2.53 -0.12 0.00 -1.03 0.00 0.00 54.13 55.47 2wac s LEU 821 Cb -0.14 -4.40 0.19 0.00 0.03 0.00 0.00 46.19 41.87 2wac s LEU 821 CO 0.04 -1.46 1.09 -2.16 0.23 0.00 0.00 176.35 174.08 2wac s PRO 822 N -3.03 0.47 0.09 1.29 0.04 -1.26 -4.67 135.00 127.93 2wac s PRO 822 Ca 0.73 0.64 -0.14 0.00 0.04 0.00 0.00 61.00 62.26 2wac s PRO 822 Cb -0.34 -1.73 -0.13 0.00 0.04 0.00 0.00 34.50 32.34 2wac s PRO 822 CO 0.39 -2.74 1.34 1.79 0.04 0.00 0.00 177.00 177.83 2wac h THR 823 N -1.90 1.30 -3.95 1.26 1.35 -1.96 -3.43 112.91 105.58 2wac h THR 823 Ca -0.54 -1.73 -0.51 0.00 -0.55 0.00 0.00 66.41 63.08 2wac h THR 823 Cb 1.32 1.83 0.05 0.00 -1.73 0.00 0.00 68.15 69.62 2wac h THR 823 CO 0.56 0.55 0.51 -0.62 -0.25 0.00 0.00 175.52 176.26 2wac s ASP 824 N -6.81 6.47 0.18 5.36 2.15 -1.26 -4.97 116.67 117.78 2wac s ASP 824 Ca -0.12 2.36 -0.10 0.00 0.43 0.00 0.00 52.55 55.12 2wac s ASP 824 Cb 0.08 -2.61 0.07 0.00 -0.30 0.00 0.00 42.92 40.16 2wac s ASP 824 CO 0.86 -0.72 1.67 0.78 -0.17 0.00 0.00 175.17 177.59 2wac h ASN 825 N 2.57 0.97 0.81 -0.34 2.35 -2.00 -1.98 115.58 117.96 2wac h ASN 825 Ca -0.49 -0.26 -0.14 0.00 -0.55 0.00 0.00 56.30 54.86 2wac h ASN 825 Cb 1.24 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 39.33 2wac h ASN 825 CO 0.62 0.98 -0.66 -0.33 -1.65 0.00 0.00 177.43 176.40 2wac h GLU 826 N 0.91 0.00 -0.33 0.81 5.08 -1.98 -2.62 114.58 116.45 2wac h GLU 826 Ca 0.18 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.43 2wac h GLU 826 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2wac h GLU 826 CO 0.01 0.66 -0.26 -0.44 -1.00 0.00 0.00 179.01 177.98 2wac h ASP 827 N 0.00 0.68 -0.14 1.42 3.32 -1.94 -2.75 116.42 117.01 2wac h ASP 827 Ca -0.01 -0.25 0.02 0.00 0.02 0.00 0.00 57.03 56.82 2wac h ASP 827 Cb 1.24 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 2wac h ASP 827 CO 0.09 0.91 -0.01 0.11 -1.72 0.00 0.00 179.24 178.62 2wac h LYS 828 N 0.58 0.04 -0.40 3.56 1.57 -1.10 -2.05 116.57 118.77 2wac h LYS 828 Ca 0.08 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 2wac h LYS 828 Cb 0.75 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 2wac h LYS 828 CO 0.06 0.02 0.21 0.93 -0.57 0.00 0.00 179.45 180.10 2wac h GLU 829 N 0.04 0.41 -0.87 3.15 5.08 -1.43 -2.27 114.58 118.70 2wac h GLU 829 Ca 0.07 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2wac h GLU 829 Cb 0.08 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 2wac h GLU 829 CO -0.12 0.27 0.45 1.49 -1.00 0.00 0.00 179.01 180.11 2wac h GLU 830 N 0.43 1.23 -0.58 2.33 4.57 -1.40 -0.10 114.58 121.06 2wac h GLU 830 Ca 0.16 -0.16 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2wac h GLU 830 Cb 0.05 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.38 2wac h GLU 830 CO -0.10 0.92 0.38 0.00 -1.18 0.00 0.00 179.01 179.03 2wac h ALA 831 N 1.26 0.74 -0.26 2.92 0.00 -1.03 0.10 119.26 122.99 2wac h ALA 831 Ca 0.30 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 2wac h ALA 831 Cb 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2wac h ALA 831 CO -0.04 0.17 -0.45 -0.07 0.00 0.00 0.00 179.25 178.86 2wac h LEU 832 N 0.79 0.72 -0.35 0.00 3.38 -1.05 -1.95 115.31 116.84 2wac h LEU 832 Ca 0.21 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2wac h LEU 832 Cb -0.09 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 2wac h LEU 832 CO -0.05 1.06 0.11 -0.09 0.09 0.00 0.00 178.44 179.57 2wac h ARG 833 N 0.54 0.54 -0.69 1.13 2.43 -0.78 -2.20 114.38 115.34 2wac h ARG 833 Ca 0.03 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 59.02 2wac h ARG 833 Cb 0.99 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.43 2wac h ARG 833 CO 0.09 0.56 0.17 0.00 -1.51 0.00 0.00 179.97 179.28 2wac h ALA 834 N 0.96 0.91 -0.16 2.80 0.00 -0.71 -2.05 119.26 120.99 2wac h ALA 834 Ca 0.11 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 2wac h ALA 834 Cb 0.24 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2wac h ALA 834 CO -0.00 0.63 -0.66 0.35 0.00 0.00 0.00 179.25 179.57 2wac h PHE 835 N 1.03 0.81 -0.65 0.00 3.57 -1.35 -2.44 116.94 117.91 2wac h PHE 835 Ca 0.22 -0.32 -0.08 0.00 3.53 0.00 0.00 57.97 61.31 2wac h PHE 835 Cb 0.37 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 2wac h PHE 835 CO 0.03 1.10 0.08 1.03 -2.23 0.00 0.00 178.31 178.32 2wac h SER 836 N 0.45 1.05 -0.22 0.41 0.87 -1.33 -1.93 113.55 112.85 2wac h SER 836 Ca -0.02 -0.26 -0.06 0.00 -1.23 0.00 0.00 61.79 60.23 2wac h SER 836 Cb 1.24 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 2wac h SER 836 CO 0.13 1.05 -0.03 -0.08 -0.53 0.00 0.00 176.83 177.37 2wac h GLU 837 N 1.01 0.54 -0.09 2.24 4.81 -1.32 -1.04 114.58 120.74 2wac h GLU 837 Ca 0.20 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2wac h GLU 837 Cb 0.47 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 2wac h GLU 837 CO 0.02 0.59 -0.01 -0.44 -0.73 0.00 0.00 179.01 178.43 2wac h ASP 838 N 0.51 0.17 0.00 1.04 3.32 -1.10 -3.42 116.42 116.94 2wac h ASP 838 Ca 0.11 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.81 2wac h ASP 838 Cb 0.38 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2wac h ASP 838 CO 0.02 0.48 -0.88 1.33 -1.72 0.00 0.00 179.24 178.47 2wac n VAL 839 N -4.80 0.00 -1.69 -1.35 0.24 -0.75 -4.91 118.33 105.07 2wac n VAL 839 Ca -0.06 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.81 2wac n VAL 839 Cb 0.22 -0.10 -0.03 0.00 -1.47 0.00 0.00 33.84 32.46 2wac n VAL 839 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 2wac n LEU 840 N -1.52 4.08 0.00 1.34 7.94 -0.40 -0.85 117.00 127.59 2wac n LEU 840 Ca 0.00 0.97 0.00 0.00 -1.11 0.00 0.00 56.01 55.87 2wac n LEU 840 Cb 0.18 -1.54 0.00 0.00 0.53 0.00 0.00 43.42 42.59 2wac n LEU 840 CO 0.00 0.19 0.00 0.59 -1.11 0.00 0.00 177.39 177.06 2wac n ASN 841 N 5.95 -4.16 -4.88 1.96 5.03 0.90 -4.96 115.26 115.09 2wac n ASN 841 Ca 0.18 0.00 -0.31 0.00 0.87 0.00 0.00 54.58 55.32 2wac n ASN 841 Cb 0.38 -1.83 -0.05 0.00 -1.02 0.00 0.00 39.78 37.26 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 -1.59 3.44 -0.19 3.10 3.76 -0.03 -4.87 115.29 118.91 2wac s HIS 842 Ca 0.00 0.22 -0.29 0.00 -0.15 0.00 0.00 55.06 54.84 2wac s HIS 842 Cb 0.00 -1.74 -0.01 0.00 1.11 0.00 0.00 32.58 31.95 2wac s HIS 842 CO 0.00 0.58 1.20 0.15 -0.85 0.00 0.00 174.74 175.82 2wac s LYS 843 N -2.38 4.23 0.20 1.40 1.02 -1.26 -2.97 119.74 119.98 2wac s LYS 843 Ca 0.32 1.57 0.01 0.00 0.02 0.00 0.00 55.97 57.89 2wac s LYS 843 Cb -0.13 -3.73 -0.05 0.00 -0.52 0.00 0.00 37.83 33.40 2wac s LYS 843 CO 0.25 -0.69 0.04 0.14 -0.92 0.00 0.00 175.35 174.17 2wac s VAL 844 N 3.43 0.61 -0.24 3.17 -7.23 -0.01 -4.64 120.40 115.48 2wac s VAL 844 Ca 0.52 -1.99 -0.12 0.00 -1.81 0.00 0.00 61.98 58.58 2wac s VAL 844 Cb -0.20 -2.31 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 2wac s VAL 844 CO 0.12 -0.30 0.21 -1.10 -0.31 0.00 0.00 175.10 173.73 2wac s GLN 845 N -3.97 4.06 -0.12 4.82 -0.21 0.28 -1.02 119.66 123.50 2wac s GLN 845 Ca 0.29 -0.19 -0.04 0.00 0.02 0.00 0.00 55.36 55.44 2wac s GLN 845 Cb 0.07 -3.57 -0.03 0.00 1.00 0.00 0.00 33.01 30.47 2wac s GLN 845 CO 0.08 -0.02 0.01 -1.17 -2.12 0.00 0.00 175.29 172.07 2wac s LEU 846 N 1.29 3.60 -0.09 2.90 0.20 0.57 -0.42 118.68 126.73 2wac s LEU 846 Ca 0.09 0.09 0.02 0.00 0.69 0.00 0.00 54.13 55.02 2wac s LEU 846 Cb -0.14 -1.85 0.01 0.00 -0.43 0.00 0.00 46.19 43.78 2wac s LEU 846 CO 0.07 0.29 -0.14 0.21 -0.29 0.00 0.00 176.35 176.48 2wac s ASN 847 N -0.35 2.24 -0.21 3.68 2.47 -0.77 -0.81 114.94 121.19 2wac s ASN 847 Ca 0.07 -0.38 -0.29 0.00 0.42 0.00 0.00 52.86 52.68 2wac s ASN 847 Cb -0.12 -1.01 0.00 0.00 -1.45 0.00 0.00 41.25 38.67 2wac s ASN 847 CO 0.02 0.03 1.10 -0.69 -3.72 0.00 0.00 177.10 173.84 2wac s VAL 848 N 0.85 4.58 -0.13 -5.21 1.01 -1.26 -0.89 120.40 119.35 2wac s VAL 848 Ca -0.10 1.90 0.05 0.00 0.00 0.00 0.00 61.98 63.83 2wac s VAL 848 Cb -0.15 -4.23 -0.23 0.00 0.00 0.00 0.00 36.38 31.76 2wac s VAL 848 CO 0.01 -0.16 0.32 -0.62 0.00 0.00 0.00 175.10 174.65 2wac n GLU 849 N 6.33 0.69 -3.68 2.72 -0.58 0.16 -4.94 120.64 121.33 2wac n GLU 849 Ca 0.12 0.21 -0.10 0.00 -0.42 0.00 0.00 57.16 56.98 2wac n GLU 849 Cb 0.46 -1.68 -0.10 0.00 -0.57 0.00 0.00 31.44 29.55 2wac n GLU 849 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2wac s LEU 850 N -6.39 -0.26 0.12 -4.62 2.96 -1.13 -4.95 118.68 104.42 2wac s LEU 850 Ca -0.17 0.99 -0.30 0.00 -0.22 0.00 0.00 54.13 54.43 2wac s LEU 850 Cb 0.07 1.49 -0.06 0.00 0.50 0.00 0.00 46.19 48.19 2wac s LEU 850 CO 0.77 -0.20 1.05 -0.54 -1.32 0.00 0.00 176.35 176.11 2wac s LYS 851 N 1.55 4.60 -0.12 1.98 1.02 -1.26 -0.89 119.74 126.62 2wac s LYS 851 Ca -0.09 1.60 0.03 0.00 0.02 0.00 0.00 55.97 57.53 2wac s LYS 851 Cb -0.08 -3.34 0.01 0.00 -0.52 0.00 0.00 37.83 33.89 2wac s LYS 851 CO -0.14 0.06 -0.20 0.08 -0.92 0.00 0.00 175.35 174.23 2wac s VAL 852 N 0.19 1.87 -0.06 3.17 1.01 -1.26 -4.95 120.40 120.37 2wac s VAL 852 Ca 0.50 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 2wac s VAL 852 Cb -0.26 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 2wac s VAL 852 CO 0.31 0.51 1.37 -0.89 0.00 0.00 0.00 175.10 176.41 2wac s THR 853 N 0.75 3.93 0.00 3.92 2.01 -1.26 -3.53 115.64 121.45 2wac s THR 853 Ca -0.10 1.23 0.00 0.00 0.31 0.00 0.00 61.69 63.13 2wac s THR 853 Cb -0.16 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.56 2wac s THR 853 CO 0.01 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.50 2wac n GLY 854 N 3.67 0.83 3.54 4.40 0.00 -1.26 -5.01 105.19 111.36 2wac n GLY 854 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.77 -0.04 0.24 1.61 1.04 -1.23 -5.14 113.70 107.40 2wac s SER 855 Ca 0.00 -1.00 -0.31 0.00 0.48 0.00 0.00 55.95 55.12 2wac s SER 855 Cb 0.00 0.56 -0.13 0.00 0.10 0.00 0.00 66.02 66.55 2wac s SER 855 CO 0.00 -1.11 1.43 -2.65 0.98 0.00 0.00 173.24 171.90 2wac n PRO 856 N -0.37 2.09 -2.13 4.02 -0.02 -1.26 -4.52 135.00 132.81 2wac n PRO 856 Ca -0.01 0.75 -0.35 0.00 -2.02 0.00 0.00 63.50 61.86 2wac n PRO 856 Cb 0.62 -2.42 0.02 0.00 -0.02 0.00 0.00 33.50 31.70 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 0.35 5.49 0.05 2.55 0.01 -1.26 -4.27 114.94 117.86 2wac s ASN 857 Ca 0.69 2.22 -0.31 0.00 -0.71 0.00 0.00 52.86 54.75 2wac s ASN 857 Cb -0.64 -2.58 -0.05 0.00 0.41 0.00 0.00 41.25 38.38 2wac s ASN 857 CO 0.49 -1.38 1.18 -0.76 -1.51 0.00 0.00 177.10 175.12 2wac s LEU 858 N -4.00 4.37 0.00 0.60 1.02 -0.06 -0.95 118.68 119.65 2wac s LEU 858 Ca 0.73 1.98 0.00 0.00 0.02 0.00 0.00 54.13 56.87 2wac s LEU 858 Cb -0.25 -3.58 -0.00 0.00 0.02 0.00 0.00 46.19 42.37 2wac s LEU 858 CO 0.30 -0.46 -0.01 0.00 0.02 0.00 0.00 176.35 176.20 2wac s ALA 859 N 1.10 0.07 0.24 4.21 0.00 -0.15 0.38 121.76 127.60 2wac s ALA 859 Ca 0.58 -0.15 -0.02 0.00 0.00 0.00 0.00 51.96 52.37 2wac s ALA 859 Cb -0.29 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.81 2wac s ALA 859 CO 0.29 -0.02 0.46 0.95 0.00 0.00 0.00 175.76 177.43 2wac s THR 860 N -0.32 5.14 -0.04 0.00 -4.23 -0.06 -1.19 115.64 114.94 2wac s THR 860 Ca -0.03 -0.22 0.05 0.00 -1.18 0.00 0.00 61.69 60.32 2wac s THR 860 Cb -0.02 -3.74 -0.01 0.00 1.34 0.00 0.00 72.50 70.07 2wac s THR 860 CO -0.00 -0.24 -0.20 -0.76 -0.54 0.00 0.00 174.62 172.88 2wac s LEU 861 N -3.44 1.99 0.00 4.79 1.43 -1.26 -1.85 118.68 120.34 2wac s LEU 861 Ca 0.40 -0.40 0.04 0.00 -1.03 0.00 0.00 54.13 53.15 2wac s LEU 861 Cb -0.11 -1.09 -0.01 0.00 0.03 0.00 0.00 46.19 45.01 2wac s LEU 861 CO 0.29 0.20 -0.13 -0.60 0.23 0.00 0.00 176.35 176.35 2wac s ARG 862 N -0.16 0.98 0.08 1.70 3.52 0.44 -1.04 118.95 124.47 2wac s ARG 862 Ca -0.00 -0.51 -0.31 0.00 -0.13 0.00 0.00 55.73 54.78 2wac s ARG 862 Cb -0.11 -0.96 -0.06 0.00 -1.56 0.00 0.00 34.95 32.26 2wac s ARG 862 CO 0.02 0.26 1.26 0.34 -0.81 0.00 0.00 175.30 176.36 2wac s ASP 863 N -0.48 7.00 0.51 -2.12 -1.08 -0.73 -0.56 116.67 119.21 2wac s ASP 863 Ca 0.04 2.11 0.26 0.00 -0.52 0.00 0.00 52.55 54.44 2wac s ASP 863 Cb -0.05 -2.58 1.39 0.00 -1.46 0.00 0.00 42.92 40.22 2wac s ASP 863 CO -0.00 -0.53 2.06 -0.65 0.52 0.00 0.00 175.17 176.57 2wac h PRO 864 N 6.81 0.00 0.00 4.34 0.11 -1.93 -0.44 132.00 140.89 2wac h PRO 864 Ca -0.42 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.45 2wac h PRO 864 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 2wac h PRO 864 CO 0.83 0.13 -1.40 2.41 -0.21 0.00 0.00 178.00 179.76 2wac n THR 865 N -3.71 1.52 0.10 -1.15 -1.04 -1.26 -4.55 114.28 104.19 2wac n THR 865 Ca -0.02 -0.06 0.10 0.00 -2.04 0.00 0.00 64.05 62.04 2wac n THR 865 Cb 0.24 -2.07 0.00 0.00 -1.82 0.00 0.00 70.33 66.69 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 0.05 -0.57 12.58 1.35 -1.99 -3.48 112.91 119.85 2wac h THR 866 Ca -0.36 -1.10 -0.25 0.00 -0.55 0.00 0.00 66.41 64.16 2wac h THR 866 Cb 1.25 1.58 -0.10 0.00 -1.73 0.00 0.00 68.15 69.15 2wac h THR 866 CO -0.22 0.03 -0.22 0.29 -0.25 0.00 0.00 175.52 175.15 2wac n LYS 867 N -2.72 -0.93 -2.30 4.72 4.76 -0.17 -4.99 118.16 116.52 2wac n LYS 867 Ca -0.01 0.91 -0.42 0.00 -2.87 0.00 0.00 58.31 55.92 2wac n LYS 867 Cb 0.58 -4.95 -0.03 0.00 -1.84 0.00 0.00 35.03 28.79 2wac n LYS 867 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2wac s VAL 868 N -2.40 3.84 -0.30 -0.18 1.01 -1.26 -4.72 120.40 116.39 2wac s VAL 868 Ca 0.00 1.25 -0.29 0.00 0.00 0.00 0.00 61.98 62.94 2wac s VAL 868 Cb 0.00 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 2wac s VAL 868 CO 0.00 0.03 1.58 -0.62 0.00 0.00 0.00 175.10 176.08 2wac s ASP 869 N 1.57 6.27 0.16 3.32 -1.08 -1.26 -1.77 116.67 123.88 2wac s ASP 869 Ca 0.61 1.30 -0.13 0.00 -0.52 0.00 0.00 52.55 53.81 2wac s ASP 869 Cb -0.30 -2.53 0.05 0.00 -1.46 0.00 0.00 42.92 38.67 2wac s ASP 869 CO 0.26 -1.40 1.68 -0.26 0.52 0.00 0.00 175.17 175.98 2wac h PHE 870 N 11.12 0.87 -0.69 -5.34 0.04 -1.47 -1.56 116.94 119.91 2wac h PHE 870 Ca -0.31 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 60.34 2wac h PHE 870 Cb 1.14 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 39.01 2wac h PHE 870 CO 0.93 0.74 0.33 0.78 -0.60 0.00 0.00 178.31 180.50 2wac h GLY 871 N 0.75 1.07 1.27 -1.45 0.00 -1.92 -2.37 103.07 100.40 2wac h GLY 871 Ca 0.17 -0.53 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 2wac h GLY 871 CO -0.00 0.51 -0.06 1.70 0.00 0.00 0.00 176.54 178.68 2wac h LYS 872 N 0.96 0.88 -0.75 4.80 3.64 -1.88 -2.78 116.57 121.43 2wac h LYS 872 Ca 0.24 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2wac h LYS 872 Cb 0.12 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 2wac h LYS 872 CO -0.03 0.91 0.44 0.37 -2.27 0.00 0.00 179.45 178.87 2wac h GLN 873 N 0.80 1.03 -0.99 1.90 4.15 -1.06 0.97 115.11 121.90 2wac h GLN 873 Ca 0.14 -0.09 0.01 0.00 0.77 0.00 0.00 58.65 59.47 2wac h GLN 873 Cb 0.56 -0.21 -0.05 0.00 0.21 0.00 0.00 27.48 27.99 2wac h GLN 873 CO 0.03 0.73 0.65 -0.07 -1.93 0.00 0.00 178.83 178.24 2wac h LEU 874 N 1.04 1.15 0.05 -2.39 3.38 -1.17 -0.32 115.31 117.04 2wac h LEU 874 Ca 0.27 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 2wac h LEU 874 Cb -0.03 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.44 2wac h LEU 874 CO -0.05 0.83 -0.02 0.58 0.09 0.00 0.00 178.44 179.87 2wac h VAL 875 N 1.35 1.13 0.00 1.22 2.07 -1.07 -1.39 116.25 119.56 2wac h VAL 875 Ca 0.36 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2wac h VAL 875 Cb -0.15 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2wac h VAL 875 CO -0.08 0.15 -0.08 0.00 0.02 0.00 0.00 177.57 177.58 2wac h ALA 876 N 0.62 1.77 -0.00 1.67 0.00 -0.60 -0.54 119.26 122.18 2wac h ALA 876 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2wac h ALA 876 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2wac h ALA 876 CO 0.01 0.10 -0.05 0.39 0.00 0.00 0.00 179.25 179.70 2wac n GLU 877 N -4.31 0.73 -2.30 0.00 1.02 -0.15 -4.33 120.64 111.29 2wac n GLU 877 Ca -0.03 -0.16 -0.09 0.00 -0.02 0.00 0.00 57.16 56.86 2wac n GLU 877 Cb 0.16 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 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 1.22 0.07 0.07 0.62 0.00 -0.21 -4.36 105.19 102.60 2wac n GLY 878 Ca 0.17 -0.49 -0.02 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.42 0.04 -4.31 0.99 4.77 -0.54 -2.07 117.00 114.46 2wac n LEU 879 Ca -0.08 0.02 -0.16 0.00 -0.03 0.00 0.00 56.01 55.76 2wac n LEU 879 Cb 0.57 0.30 -0.10 0.00 -2.33 0.00 0.00 43.42 41.86 2wac n LEU 879 CO 0.14 0.31 -0.26 0.68 -1.33 0.00 0.00 177.39 176.93 2wac s VAL 880 N -2.88 0.52 0.13 4.08 -7.23 -1.19 -4.43 120.40 109.39 2wac s VAL 880 Ca -0.09 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.05 2wac s VAL 880 Cb 0.09 -2.61 -0.05 0.00 0.56 0.00 0.00 36.38 34.37 2wac s VAL 880 CO 0.86 -0.02 0.34 -0.76 -0.31 0.00 0.00 175.10 175.21 2wac s LEU 881 N -3.30 4.29 0.13 1.32 1.43 0.11 -4.56 118.68 118.09 2wac s LEU 881 Ca 0.37 0.51 -0.24 0.00 -1.03 0.00 0.00 54.13 53.75 2wac s LEU 881 Cb 0.08 -3.23 -0.07 0.00 0.03 0.00 0.00 46.19 42.99 2wac s LEU 881 CO 0.13 0.08 0.74 0.00 0.23 0.00 0.00 176.35 177.53 2wac s ALA 882 N -1.63 3.46 -0.12 4.21 0.00 -1.26 -0.58 121.76 125.83 2wac s ALA 882 Ca 0.40 0.29 -0.16 0.00 0.00 0.00 0.00 51.96 52.49 2wac s ALA 882 Cb -0.12 -2.91 -0.05 0.00 0.00 0.00 0.00 23.12 20.04 2wac s ALA 882 CO 0.25 0.26 0.40 -2.00 0.00 0.00 0.00 175.76 174.67 2wac s GLU 883 N -0.92 4.24 -0.25 0.00 2.12 0.55 -4.81 118.70 119.63 2wac s GLU 883 Ca 0.35 0.31 -0.14 0.00 0.36 0.00 0.00 54.97 55.85 2wac s GLU 883 Cb -0.22 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.73 2wac s GLU 883 CO 0.24 0.27 0.33 -1.14 -0.54 0.00 0.00 175.26 174.42 2wac s GLN 884 N 0.31 4.06 0.16 4.30 2.00 -1.26 -4.89 119.66 124.33 2wac s GLN 884 Ca 0.22 -0.01 -0.08 0.00 -2.00 0.00 0.00 55.36 53.49 2wac s GLN 884 Cb -0.14 -3.61 -0.01 0.00 0.80 0.00 0.00 33.01 30.04 2wac s GLN 884 CO 0.08 -0.16 0.25 -0.98 -0.50 0.00 0.00 175.29 173.99 2wac s ARG 885 N 1.70 1.13 0.00 1.67 1.70 -1.26 -5.11 118.95 118.77 2wac s ARG 885 Ca 0.14 -1.21 0.23 0.00 -0.47 0.00 0.00 55.73 54.42 2wac s ARG 885 Cb -0.15 0.36 0.05 0.00 -0.57 0.00 0.00 34.95 34.64 2wac s ARG 885 CO 0.09 -0.40 1.10 0.41 -1.08 0.00 0.00 175.30 175.41 2wac n GLY 886 N -0.20 -1.05 3.67 3.88 0.00 -1.26 -4.88 105.19 105.36 2wac n GLY 886 Ca -0.07 -0.51 -0.51 0.00 0.00 0.00 0.00 46.02 44.93 2wac n GLY 886 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wac n GLU 887 N -1.43 1.82 -0.36 1.61 4.71 -1.26 -4.84 120.64 120.88 2wac n GLU 887 Ca 0.05 0.66 0.02 0.00 -0.01 0.00 0.00 57.16 57.88 2wac n GLU 887 Cb 0.34 -2.51 0.17 0.00 -1.01 0.00 0.00 31.44 28.43 2wac n GLU 887 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 2wac h ARG 888 N 9.11 1.13 0.00 3.49 9.65 -2.01 -0.21 114.38 135.54 2wac h ARG 888 Ca -0.46 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.35 2wac h ARG 888 Cb 1.29 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 29.61 2wac h ARG 888 CO 0.96 0.75 0.00 1.57 2.80 0.00 0.00 179.97 186.05 2wac h LYS 889 N 1.16 0.00 -0.19 0.20 2.10 -1.99 -1.43 116.57 116.43 2wac h LYS 889 Ca 0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.07 2wac h LYS 889 Cb 0.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 2wac h LYS 889 CO -0.17 0.00 0.00 1.28 -2.00 0.00 0.00 179.45 178.56 2wac n LEU 890 N -2.73 3.20 -0.04 7.07 4.77 -0.10 -4.67 117.00 124.49 2wac n LEU 890 Ca -0.02 -1.22 -0.09 0.00 -0.03 0.00 0.00 56.01 54.65 2wac n LEU 890 Cb 0.09 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 2wac n LEU 890 CO 0.17 0.61 0.91 0.50 -1.33 0.00 0.00 177.39 178.25 2wac h LYS 891 N 4.60 0.17 -0.23 3.23 3.64 -1.08 0.12 116.57 127.02 2wac h LYS 891 Ca 0.00 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2wac h LYS 891 Cb 0.99 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 2wac h LYS 891 CO 0.00 0.11 0.11 1.49 -2.27 0.00 0.00 179.45 178.89 2wac h GLU 892 N 0.17 0.23 -0.63 1.90 4.81 -1.83 0.21 114.58 119.44 2wac h GLU 892 Ca 0.09 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.22 2wac h GLU 892 Cb 0.05 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 2wac h GLU 892 CO -0.08 0.15 0.06 1.25 -0.73 0.00 0.00 179.01 179.65 2wac h LEU 893 N 0.23 1.05 -0.28 1.64 5.85 -1.83 -1.18 115.31 120.80 2wac h LEU 893 Ca 0.09 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2wac h LEU 893 Cb 0.03 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 2wac h LEU 893 CO -0.07 1.07 0.18 0.58 -0.34 0.00 0.00 178.44 179.86 2wac h VAL 894 N 0.99 1.08 -0.56 1.05 2.07 -0.48 -1.40 116.25 119.01 2wac h VAL 894 Ca 0.19 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 2wac h VAL 894 Cb 0.50 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 2wac h VAL 894 CO 0.02 0.08 0.30 0.44 0.02 0.00 0.00 177.57 178.43 2wac h ASP 895 N 0.36 0.71 -0.46 0.57 3.32 -0.84 -1.50 116.42 118.60 2wac h ASP 895 Ca 0.10 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2wac h ASP 895 Cb -0.02 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 2wac h ASP 895 CO -0.02 0.61 0.18 1.56 -1.72 0.00 0.00 179.24 179.85 2wac h GLN 896 N 0.76 0.68 -0.46 3.56 4.20 -1.07 -1.57 115.11 121.21 2wac h GLN 896 Ca 0.20 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 2wac h GLN 896 Cb 0.07 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 2wac h GLN 896 CO -0.03 0.62 0.01 1.88 -0.67 0.00 0.00 178.83 180.64 2wac h TYR 897 N 0.59 0.79 -0.46 2.96 0.99 -1.18 -1.94 116.97 118.73 2wac h TYR 897 Ca 0.15 -0.10 -0.00 0.00 2.00 0.00 0.00 58.73 60.78 2wac h TYR 897 Cb 0.20 -0.22 -0.02 0.00 1.00 0.00 0.00 36.73 37.69 2wac h TYR 897 CO 0.00 0.73 0.28 0.87 -0.00 0.00 0.00 178.16 180.04 2wac h LYS 898 N 0.70 0.62 -0.73 4.88 1.79 -1.01 -1.59 116.57 121.23 2wac h LYS 898 Ca 0.14 -0.06 -0.05 0.00 -2.18 0.00 0.00 60.65 58.51 2wac h LYS 898 Cb 0.42 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.91 2wac h LYS 898 CO 0.02 0.45 0.27 0.00 -1.08 0.00 0.00 179.45 179.11 2wac h ALA 899 N 1.13 1.09 -0.50 3.86 0.00 -1.08 -1.38 119.26 122.39 2wac h ALA 899 Ca 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2wac h ALA 899 Cb -0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2wac h ALA 899 CO -0.03 0.64 0.26 0.00 0.00 0.00 0.00 179.25 180.11 2wac h ALA 900 N 1.22 0.64 -0.67 0.00 0.00 -1.19 -0.81 119.26 118.44 2wac h ALA 900 Ca 0.24 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2wac h ALA 900 Cb 0.24 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2wac h ALA 900 CO -0.02 0.18 0.42 0.37 0.00 0.00 0.00 179.25 180.21 2wac h GLN 901 N 0.66 0.81 -0.87 0.00 4.15 -1.03 -1.94 115.11 116.89 2wac h GLN 901 Ca 0.17 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.52 2wac h GLN 901 Cb 0.08 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 27.55 2wac h GLN 901 CO -0.03 0.54 0.44 0.93 -1.93 0.00 0.00 178.83 178.78 2wac h GLU 902 N 0.84 1.24 -0.50 1.69 4.39 -0.96 -0.90 114.58 120.38 2wac h GLU 902 Ca 0.27 -0.17 -0.05 0.00 0.34 0.00 0.00 59.36 59.76 2wac h GLU 902 Cb 0.00 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.40 2wac h GLU 902 CO -0.10 0.93 0.13 0.00 -1.16 0.00 0.00 179.01 178.82 2wac h ALA 903 N 1.25 0.65 -0.46 3.43 0.00 -0.82 -0.83 119.26 122.48 2wac h ALA 903 Ca 0.30 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2wac h ALA 903 Cb 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2wac h ALA 903 CO -0.04 0.33 0.08 0.00 0.00 0.00 0.00 179.25 179.62 2wac h ALA 904 N 1.00 1.28 0.04 0.00 0.00 -1.13 -0.98 119.26 119.46 2wac h ALA 904 Ca 0.16 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wac h ALA 904 Cb 0.31 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2wac h ALA 904 CO -0.00 0.50 -0.02 -0.09 0.00 0.00 0.00 179.25 179.64 2wac h ARG 905 N 0.68 -0.05 -0.78 0.00 2.43 -0.86 -1.07 114.38 114.73 2wac h ARG 905 Ca 0.15 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2wac h ARG 905 Cb 0.30 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 2wac h ARG 905 CO 0.00 0.20 0.47 0.28 -1.51 0.00 0.00 179.97 179.41 2wac h VAL 906 N -0.29 1.22 0.00 0.20 2.07 -0.99 -1.84 116.25 116.62 2wac h VAL 906 Ca -0.00 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2wac h VAL 906 Cb 0.26 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2wac h VAL 906 CO 0.01 0.23 0.00 0.00 0.02 0.00 0.00 177.57 177.83 2wac n ALA 907 N -2.42 2.53 -3.72 1.67 0.00 -0.39 -4.93 120.51 113.25 2wac n ALA 907 Ca 0.08 -0.16 -0.24 0.00 0.00 0.00 0.00 53.44 53.13 2wac n ALA 907 Cb 0.07 -1.49 0.04 0.00 0.00 0.00 0.00 19.45 18.07 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 -1.19 -2.17 -3.19 0.00 -0.00 -0.69 -4.97 115.22 103.01 2wac n HIS 908 Ca 0.17 0.89 -0.39 0.00 -0.00 0.00 0.00 57.72 58.39 2wac n HIS 908 Cb 0.19 -4.44 -0.06 0.00 -0.00 0.00 0.00 29.99 25.69 2wac n HIS 908 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2wac s LEU 909 N -6.88 4.40 0.00 2.41 1.43 -0.48 -3.90 118.68 115.65 2wac s LEU 909 Ca 0.25 1.14 0.00 0.00 -1.03 0.00 0.00 54.13 54.50 2wac s LEU 909 Cb -0.12 -2.93 0.00 0.00 0.03 0.00 0.00 46.19 43.17 2wac s LEU 909 CO 0.80 0.07 0.00 0.00 0.23 0.00 0.00 176.35 177.45 2wac n ALA 910 N 2.89 0.00 0.30 4.21 0.00 -1.26 -0.67 120.51 125.99 2wac n ALA 910 Ca -0.06 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.56 2wac n ALA 910 Cb 0.51 0.00 0.82 0.00 0.00 0.00 0.00 19.45 20.78 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 -0.51 0.00 3.07 -1.74 -2.18 117.51 116.15 2wac h ILE 911 Ca 0.00 -0.28 0.00 0.00 1.55 0.00 0.00 64.86 66.13 2wac h ILE 911 Cb 0.00 1.21 0.00 0.00 -0.27 0.00 0.00 36.82 37.76 2wac h ILE 911 CO 0.00 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 177.89 2wac n TRP 912 N -2.92 1.40 -0.23 0.16 7.02 0.15 -4.61 117.44 118.41 2wac n TRP 912 Ca -0.00 -0.53 -0.01 0.00 -1.02 0.00 0.00 57.50 55.94 2wac n TRP 912 Cb 0.20 -0.29 0.11 0.00 -2.42 0.00 0.00 31.31 28.91 2wac n TRP 912 CO 0.00 0.00 0.00 -0.22 -2.02 0.00 0.00 177.69 175.45 2wac h LYS 913 N 3.35 0.60 -0.39 -0.99 3.64 -1.50 -3.07 116.57 118.21 2wac h LYS 913 Ca 0.00 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 2wac h LYS 913 Cb 1.40 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 2wac h LYS 913 CO 0.27 0.40 0.03 0.66 -2.27 0.00 0.00 179.45 178.53 2wac n TYR 914 N -4.84 1.37 0.00 1.91 4.01 -1.26 -4.93 117.16 113.42 2wac n TYR 914 Ca 0.09 -0.94 0.00 0.00 -0.16 0.00 0.00 57.90 56.89 2wac n TYR 914 Cb 0.21 -0.41 0.00 0.00 -0.31 0.00 0.00 39.34 38.83 2wac n TYR 914 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81