#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ayx n GLY 697 N 0.00 2.28 5.58 -5.12 0.00 -1.26 -5.08 105.19 101.59 2ayx n GLY 697 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2ayx n GLY 697 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ayx n GLY 698 N 0.00 -1.89 3.42 -0.02 0.00 -1.26 -4.96 105.19 100.49 2ayx n GLY 698 Ca 0.00 -1.53 -0.28 0.00 0.00 0.00 0.00 46.02 44.22 2ayx n GLY 698 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ayx s SER 699 N -4.00 3.45 0.00 1.61 0.01 -1.26 -5.14 113.70 108.37 2ayx s SER 699 Ca 0.00 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.47 2ayx s SER 699 Cb 0.00 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.95 2ayx s SER 699 CO 0.00 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.41 2ayx n GLY 700 N 0.53 1.55 3.94 3.44 0.00 -1.26 -5.10 105.19 108.30 2ayx n GLY 700 Ca -0.15 -1.69 -0.24 0.00 0.00 0.00 0.00 46.02 43.95 2ayx n GLY 700 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ayx s VAL 701 N 2.48 3.72 0.00 1.61 1.01 -1.26 -4.99 120.40 122.97 2ayx s VAL 701 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2ayx s VAL 701 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.97 2ayx s VAL 701 CO 0.00 -0.33 0.00 1.21 0.00 0.00 0.00 175.10 175.98 2ayx n GLU 702 N -2.28 0.00 -3.62 2.72 0.00 -1.26 -5.10 120.64 111.11 2ayx n GLU 702 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.15 2ayx n GLU 702 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.99 2ayx n GLU 702 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2ayx s GLY 703 N -2.90 -0.18 0.00 8.31 0.00 -1.26 -5.02 107.32 106.27 2ayx s GLY 703 Ca 0.00 1.99 0.19 0.00 0.00 0.00 0.00 44.72 46.90 2ayx s GLY 703 CO 0.00 0.72 1.33 1.04 0.00 0.00 0.00 173.10 176.20 2ayx n LEU 704 N 0.12 3.28 -3.89 0.66 4.32 -1.19 -1.02 117.00 119.29 2ayx n LEU 704 Ca 0.01 -1.65 -0.41 0.00 -0.02 0.00 0.00 56.01 53.94 2ayx n LEU 704 Cb 0.58 -0.27 -0.03 0.00 -1.62 0.00 0.00 43.42 42.08 2ayx n LEU 704 CO 0.09 0.75 2.23 -1.54 -1.22 0.00 0.00 177.39 177.70 2ayx n SER 705 N 1.22 3.36 0.00 -1.43 3.41 -1.21 -3.77 113.62 115.19 2ayx n SER 705 Ca 0.17 -2.77 0.00 0.00 -0.26 0.00 0.00 58.87 56.01 2ayx n SER 705 Cb 0.53 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 2ayx n SER 705 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ayx n GLY 706 N 4.63 1.00 3.19 5.00 0.00 -1.26 -1.34 105.19 116.41 2ayx n GLY 706 Ca 0.50 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.36 2ayx n GLY 706 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ayx s LYS 707 N 0.00 0.89 0.17 1.61 2.36 -1.25 -4.79 119.74 118.73 2ayx s LYS 707 Ca 0.00 -1.16 0.06 0.00 -2.55 0.00 0.00 55.97 52.32 2ayx s LYS 707 Cb 0.00 -0.65 -0.04 0.00 -1.05 0.00 0.00 37.83 36.09 2ayx s LYS 707 CO 0.00 0.11 0.05 0.50 1.55 0.00 0.00 175.35 177.56 2ayx s ARG 708 N -2.68 2.59 -0.02 4.03 3.52 -1.26 -2.62 118.95 122.51 2ayx s ARG 708 Ca 0.06 -1.02 -0.04 0.00 -0.13 0.00 0.00 55.73 54.60 2ayx s ARG 708 Cb -0.04 -2.46 0.00 0.00 -1.56 0.00 0.00 34.95 30.89 2ayx s ARG 708 CO 0.01 0.46 0.09 0.00 -0.81 0.00 0.00 175.30 175.05 2ayx s TRP 710 N -0.53 2.86 -0.03 0.00 0.52 0.26 -0.68 118.94 121.33 2ayx s TRP 710 Ca -0.06 -0.05 0.02 0.00 0.02 0.00 0.00 56.10 56.02 2ayx s TRP 710 Cb -0.04 -1.61 0.01 0.00 -1.15 0.00 0.00 33.47 30.69 2ayx s TRP 710 CO 0.00 0.35 -0.07 -0.48 0.02 0.00 0.00 176.95 176.78 2ayx s LEU 711 N -1.35 1.58 -0.50 2.99 2.34 -0.38 -0.94 118.68 122.42 2ayx s LEU 711 Ca 0.16 -0.15 0.08 0.00 0.06 0.00 0.00 54.13 54.27 2ayx s LEU 711 Cb -0.11 -0.48 0.34 0.00 -0.56 0.00 0.00 46.19 45.38 2ayx s LEU 711 CO 0.07 0.00 0.87 0.00 -1.06 0.00 0.00 176.35 176.23 2ayx n ALA 712 N 3.66 3.71 -3.21 1.48 0.00 0.42 -1.32 120.51 125.24 2ayx n ALA 712 Ca -0.22 -4.24 -0.36 0.00 0.00 0.00 0.00 53.44 48.63 2ayx n ALA 712 Cb 0.53 -0.80 -0.13 0.00 0.00 0.00 0.00 19.45 19.04 2ayx n ALA 712 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ayx s VAL 713 N -3.70 3.94 -0.01 0.00 1.01 -1.25 -2.29 120.40 118.09 2ayx s VAL 713 Ca 0.46 -0.30 0.11 0.00 0.00 0.00 0.00 61.98 62.25 2ayx s VAL 713 Cb 0.30 -2.82 -0.06 0.00 0.00 0.00 0.00 36.38 33.80 2ayx s VAL 713 CO -0.12 0.38 1.38 0.03 0.00 0.00 0.00 175.10 176.77 2ayx h ARG 714 N 8.07 0.00 -6.39 2.72 3.08 -1.97 -3.43 114.38 116.46 2ayx h ARG 714 Ca -0.39 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.09 2ayx h ARG 714 Cb 1.17 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.18 2ayx h ARG 714 CO 0.59 0.74 1.11 1.21 -1.07 0.00 0.00 179.97 182.55 2ayx s ASN 715 N -6.58 6.30 0.28 7.04 3.84 -1.26 -4.89 114.94 119.66 2ayx s ASN 715 Ca 0.02 1.16 0.01 0.00 0.21 0.00 0.00 52.86 54.26 2ayx s ASN 715 Cb 0.09 -2.54 0.40 0.00 -0.55 0.00 0.00 41.25 38.65 2ayx s ASN 715 CO 0.78 -1.40 1.74 0.00 -2.79 0.00 0.00 177.10 175.43 2ayx h ALA 716 N 10.98 1.12 -0.35 1.71 0.00 -1.98 0.21 119.26 130.95 2ayx h ALA 716 Ca -0.30 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 2ayx h ALA 716 Cb 1.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2ayx h ALA 716 CO 1.05 0.55 0.08 0.77 0.00 0.00 0.00 179.25 181.69 2ayx h SER 717 N 0.53 0.53 -0.15 0.00 0.02 -1.97 0.29 113.55 112.80 2ayx h SER 717 Ca 0.09 -0.24 -0.09 0.00 -0.84 0.00 0.00 61.79 60.71 2ayx h SER 717 Cb 0.58 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 2ayx h SER 717 CO 0.04 0.64 -0.26 0.25 -1.14 0.00 0.00 176.83 176.36 2ayx h LEU 718 N 0.41 0.49 -0.42 5.07 6.46 -1.81 -2.61 115.31 122.89 2ayx h LEU 718 Ca 0.11 -0.54 -0.06 0.00 -0.12 0.00 0.00 57.88 57.28 2ayx h LEU 718 Cb 0.32 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.09 2ayx h LEU 718 CO 0.00 0.93 0.05 0.00 -0.62 0.00 0.00 178.44 178.80 2ayx h GLN 720 N 0.56 1.17 0.19 0.00 5.75 -1.00 0.16 115.11 121.94 2ayx h GLN 720 Ca 0.13 -0.22 0.01 0.00 -0.15 0.00 0.00 58.65 58.42 2ayx h GLN 720 Cb 0.41 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.74 2ayx h GLN 720 CO 0.01 0.95 -0.27 0.35 -2.65 0.00 0.00 178.83 177.22 2ayx h PHE 721 N 1.14 -0.73 -0.08 3.99 3.57 -1.25 0.18 116.94 123.75 2ayx h PHE 721 Ca 0.26 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 2ayx h PHE 721 Cb 0.23 0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 2ayx h PHE 721 CO 0.02 -0.39 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.61 2ayx h LEU 722 N -0.53 0.17 -0.91 0.59 3.38 -1.37 -2.65 115.31 113.99 2ayx h LEU 722 Ca 0.01 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.52 2ayx h LEU 722 Cb 0.52 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2ayx h LEU 722 CO -0.11 0.54 0.15 1.05 0.09 0.00 0.00 178.44 180.16 2ayx h GLU 723 N -0.20 0.95 -0.26 1.13 4.11 -0.89 -0.92 114.58 118.51 2ayx h GLU 723 Ca 0.02 -0.21 -0.19 0.00 0.07 0.00 0.00 59.36 59.05 2ayx h GLU 723 Cb 0.47 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2ayx h GLU 723 CO 0.01 0.85 -0.59 1.15 0.07 0.00 0.00 179.01 180.50 2ayx h THR 724 N 0.91 1.28 -0.75 -1.06 2.02 -1.01 -1.02 112.91 113.27 2ayx h THR 724 Ca 0.20 -1.77 -0.03 0.00 0.77 0.00 0.00 66.41 65.58 2ayx h THR 724 Cb 0.32 1.72 -0.04 0.00 -1.74 0.00 0.00 68.15 68.42 2ayx h THR 724 CO -0.00 0.57 0.37 0.28 0.37 0.00 0.00 175.52 177.11 2ayx h SER 725 N 0.62 0.97 -0.06 4.18 0.02 -1.09 -0.46 113.55 117.73 2ayx h SER 725 Ca -0.00 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 2ayx h SER 725 Cb 1.20 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.49 2ayx h SER 725 CO 0.13 0.81 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.55 2ayx h LEU 726 N 1.07 0.11 -2.26 5.07 3.38 -1.08 -2.99 115.31 118.61 2ayx h LEU 726 Ca 0.26 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2ayx h LEU 726 Cb 0.10 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2ayx h LEU 726 CO -0.03 0.46 0.02 1.56 0.09 0.00 0.00 178.44 180.54 2ayx h GLN 727 N -0.24 0.00 0.00 1.13 4.20 -0.87 -0.83 115.11 118.50 2ayx h GLN 727 Ca 0.01 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 2ayx h GLN 727 Cb 0.41 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 2ayx h GLN 727 CO 0.01 0.00 -0.10 0.00 -0.67 0.00 0.00 178.83 178.06 2ayx h ARG 728 N 0.00 0.00 -0.45 1.46 2.47 -0.93 -1.60 114.38 115.32 2ayx h ARG 728 Ca 0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2ayx h ARG 728 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 2ayx h ARG 728 CO -0.00 0.10 0.00 0.43 0.56 0.00 0.00 179.97 181.06 2ayx n SER 729 N -3.63 3.39 0.00 7.04 7.64 -0.37 -4.93 113.62 122.76 2ayx n SER 729 Ca -0.02 -1.95 0.00 0.00 1.01 0.00 0.00 58.87 57.91 2ayx n SER 729 Cb 0.22 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 2ayx n SER 729 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ayx n GLY 730 N 1.28 0.71 3.70 0.23 0.00 -0.60 -3.15 105.19 107.35 2ayx n GLY 730 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2ayx n GLY 730 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ayx s ILE 731 N -2.66 3.16 -0.56 -0.61 -1.09 -0.87 -3.89 121.20 114.67 2ayx s ILE 731 Ca 0.00 0.71 -0.23 0.00 -2.23 0.00 0.00 60.65 58.90 2ayx s ILE 731 Cb 0.00 -3.46 0.05 0.00 -1.58 0.00 0.00 42.46 37.48 2ayx s ILE 731 CO 0.00 0.02 0.86 0.54 -1.23 0.00 0.00 174.94 175.14 2ayx s VAL 732 N 1.93 4.50 -0.08 2.92 0.11 -1.08 -3.67 120.40 125.04 2ayx s VAL 732 Ca 0.69 -0.05 -0.06 0.00 -2.93 0.00 0.00 61.98 59.63 2ayx s VAL 732 Cb -0.38 -4.50 -0.04 0.00 -1.53 0.00 0.00 36.38 29.92 2ayx s VAL 732 CO 0.30 -1.10 0.17 0.54 -3.33 0.00 0.00 175.10 171.69 2ayx s VAL 733 N 3.62 5.46 -0.01 2.04 0.11 -1.26 -1.35 120.40 129.01 2ayx s VAL 733 Ca 0.25 0.15 0.01 0.00 -2.93 0.00 0.00 61.98 59.46 2ayx s VAL 733 Cb -0.15 -3.46 0.00 0.00 -1.53 0.00 0.00 36.38 31.24 2ayx s VAL 733 CO 0.16 0.53 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.53 2ayx s THR 734 N -1.12 0.31 0.24 5.04 2.01 0.14 -4.95 115.64 117.32 2ayx s THR 734 Ca 0.19 -0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.75 2ayx s THR 734 Cb -0.12 -0.28 -0.09 0.00 0.01 0.00 0.00 72.50 72.01 2ayx s THR 734 CO 0.09 0.10 1.32 -0.89 -0.69 0.00 0.00 174.62 174.54 2ayx s THR 735 N 0.07 3.02 -1.28 -0.82 2.01 -1.26 -1.25 115.64 116.12 2ayx s THR 735 Ca -0.00 0.89 -0.19 0.00 0.31 0.00 0.00 61.69 62.70 2ayx s THR 735 Cb -0.03 -3.57 0.05 0.00 0.01 0.00 0.00 72.50 68.95 2ayx s THR 735 CO -0.00 0.16 1.77 0.00 -0.69 0.00 0.00 174.62 175.86 2ayx n TYR 736 N 2.06 4.38 0.00 4.92 9.36 -0.44 -4.79 117.16 132.65 2ayx n TYR 736 Ca 0.04 -2.64 0.00 0.00 3.32 0.00 0.00 57.90 58.62 2ayx n TYR 736 Cb 0.42 -2.64 0.00 0.00 -0.63 0.00 0.00 39.34 36.49 2ayx n TYR 736 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 2ayx n GLU 737 N 8.38 0.00 -2.92 2.98 4.07 -1.26 -4.85 120.64 127.04 2ayx n GLU 737 Ca 0.48 0.03 -0.13 0.00 -0.06 0.00 0.00 57.16 57.49 2ayx n GLU 737 Cb 0.46 -0.78 0.04 0.00 -0.06 0.00 0.00 31.44 31.10 2ayx n GLU 737 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2ayx n GLY 738 N 0.99 1.77 3.81 8.31 0.00 -1.26 -5.08 105.19 113.73 2ayx n GLY 738 Ca 0.00 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.07 2ayx n GLY 738 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ayx s GLN 739 N -0.77 2.22 0.02 1.61 -1.52 -1.26 -5.13 119.66 114.84 2ayx s GLN 739 Ca 0.30 -2.11 -0.14 0.00 -1.95 0.00 0.00 55.36 51.46 2ayx s GLN 739 Cb 0.30 -1.87 -0.06 0.00 -0.22 0.00 0.00 33.01 31.17 2ayx s GLN 739 CO -0.08 -0.40 0.41 -2.00 -0.25 0.00 0.00 175.29 172.98 2ayx s GLU 740 N -4.04 3.88 0.23 2.91 2.56 -1.26 -5.05 118.70 117.94 2ayx s GLU 740 Ca 0.26 0.37 -0.32 0.00 0.00 0.00 0.00 54.97 55.28 2ayx s GLU 740 Cb 0.01 -3.17 -0.12 0.00 2.00 0.00 0.00 34.13 32.85 2ayx s GLU 740 CO 0.15 0.66 1.62 -0.35 -0.56 0.00 0.00 175.26 176.78 2ayx n PRO 741 N 1.61 2.56 -4.20 4.30 -0.04 -1.26 -5.00 135.00 132.98 2ayx n PRO 741 Ca -0.13 0.92 -0.34 0.00 -0.04 0.00 0.00 63.50 63.91 2ayx n PRO 741 Cb 0.52 -2.71 -0.10 0.00 -0.04 0.00 0.00 33.50 31.17 2ayx n PRO 741 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2ayx s THR 742 N 0.57 4.43 0.06 0.52 2.01 -1.26 -4.88 115.64 117.08 2ayx s THR 742 Ca 0.71 -0.17 0.32 0.00 0.31 0.00 0.00 61.69 62.86 2ayx s THR 742 Cb -0.55 -2.96 0.35 0.00 0.01 0.00 0.00 72.50 69.35 2ayx s THR 742 CO 0.41 0.50 1.97 1.55 -0.69 0.00 0.00 174.62 178.36 2ayx h PRO 743 N 6.40 0.00 -0.24 4.92 0.13 -1.84 -1.24 132.00 140.14 2ayx h PRO 743 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2ayx h PRO 743 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2ayx h PRO 743 CO 0.65 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.81 2ayx n GLU 744 N -2.77 2.00 -4.33 0.86 -0.58 -1.26 -2.35 120.64 112.21 2ayx n GLU 744 Ca -0.00 -1.89 -0.25 0.00 -0.42 0.00 0.00 57.16 54.60 2ayx n GLU 744 Cb 0.19 -1.37 -0.09 0.00 -0.57 0.00 0.00 31.44 29.60 2ayx n GLU 744 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ayx s ASP 745 N -1.27 4.16 0.10 1.62 1.11 -0.47 -4.81 116.67 117.11 2ayx s ASP 745 Ca 0.27 -0.69 0.10 0.00 0.18 0.00 0.00 52.55 52.41 2ayx s ASP 745 Cb 0.16 -0.65 -0.04 0.00 1.07 0.00 0.00 42.92 43.47 2ayx s ASP 745 CO 0.23 0.07 -0.27 0.68 1.18 0.00 0.00 175.17 177.06 2ayx s VAL 746 N -2.00 2.22 -0.23 -1.27 -7.23 -1.26 -1.32 120.40 109.31 2ayx s VAL 746 Ca 0.27 -1.64 -0.03 0.00 -1.81 0.00 0.00 61.98 58.77 2ayx s VAL 746 Cb -0.07 -1.95 0.00 0.00 0.56 0.00 0.00 36.38 34.92 2ayx s VAL 746 CO 0.16 0.18 -0.04 -0.22 -0.31 0.00 0.00 175.10 174.87 2ayx s LEU 747 N -1.79 3.00 -0.41 1.32 0.20 -0.68 -0.58 118.68 119.75 2ayx s LEU 747 Ca 0.13 -0.54 -0.11 0.00 0.69 0.00 0.00 54.13 54.30 2ayx s LEU 747 Cb -0.10 -1.72 0.05 0.00 -0.43 0.00 0.00 46.19 43.99 2ayx s LEU 747 CO 0.05 -0.06 0.26 -0.63 -0.29 0.00 0.00 176.35 175.68 2ayx s ILE 748 N 1.44 4.57 0.33 6.68 1.01 -0.11 -0.40 121.20 134.71 2ayx s ILE 748 Ca 0.04 -1.10 0.10 0.00 0.00 0.00 0.00 60.65 59.69 2ayx s ILE 748 Cb -0.15 -3.67 -0.06 0.00 0.01 0.00 0.00 42.46 38.59 2ayx s ILE 748 CO -0.04 -0.40 -0.05 0.28 0.00 0.00 0.00 174.94 174.73 2ayx s THR 749 N 1.52 2.57 -0.09 2.92 -1.32 -0.09 -0.44 115.64 120.71 2ayx s THR 749 Ca 0.03 -2.09 0.04 0.00 -1.21 0.00 0.00 61.69 58.45 2ayx s THR 749 Cb -0.22 -2.69 0.00 0.00 -1.51 0.00 0.00 72.50 68.08 2ayx s THR 749 CO 0.05 -0.24 -0.23 1.51 -2.21 0.00 0.00 174.62 173.50 2ayx s ASP 750 N -3.66 2.94 0.24 8.08 1.47 -0.97 -0.87 116.67 123.90 2ayx s ASP 750 Ca 0.33 -0.53 0.00 0.00 1.18 0.00 0.00 52.55 53.53 2ayx s ASP 750 Cb -0.01 -1.32 0.00 0.00 -0.34 0.00 0.00 42.92 41.25 2ayx s ASP 750 CO 0.18 0.15 0.00 1.21 0.68 0.00 0.00 175.17 177.39 2ayx n GLU 751 N 3.53 -1.95 -2.58 2.11 4.07 0.62 -4.56 120.64 121.88 2ayx n GLU 751 Ca -0.19 1.32 -0.41 0.00 -0.06 0.00 0.00 57.16 57.82 2ayx n GLU 751 Cb 0.53 -2.37 -0.03 0.00 -0.06 0.00 0.00 31.44 29.51 2ayx n GLU 751 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2ayx s VAL 752 N -2.02 3.94 -1.45 6.31 1.01 -1.26 -4.73 120.40 122.20 2ayx s VAL 752 Ca 0.00 -0.61 0.27 0.00 0.00 0.00 0.00 61.98 61.65 2ayx s VAL 752 Cb 0.00 -5.01 0.28 0.00 0.00 0.00 0.00 36.38 31.64 2ayx s VAL 752 CO 0.00 -1.89 1.68 0.52 0.00 0.00 0.00 175.10 175.41 2ayx n VAL 753 N 6.71 0.00 -3.61 2.92 0.31 -1.26 -4.95 118.33 118.45 2ayx n VAL 753 Ca 0.27 -0.06 -0.25 0.00 -0.01 0.00 0.00 64.34 64.29 2ayx n VAL 753 Cb 0.50 0.08 0.07 0.00 -0.91 0.00 0.00 33.84 33.58 2ayx n VAL 753 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2ayx n SER 754 N -1.06 -6.23 -4.77 4.52 7.64 -1.26 -4.99 113.62 107.47 2ayx n SER 754 Ca 0.11 -0.56 -0.36 0.00 1.01 0.00 0.00 58.87 59.08 2ayx n SER 754 Cb 0.32 -4.91 -0.08 0.00 -1.01 0.00 0.00 64.21 58.53 2ayx n SER 754 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2ayx s LYS 755 N -6.33 3.85 -1.06 1.43 2.47 -1.26 -5.04 119.74 113.79 2ayx s LYS 755 Ca 0.59 -0.21 -0.09 0.00 -1.56 0.00 0.00 55.97 54.69 2ayx s LYS 755 Cb -0.26 -3.28 0.27 0.00 -1.46 0.00 0.00 37.83 33.09 2ayx s LYS 755 CO 0.73 0.48 1.05 0.15 0.16 0.00 0.00 175.35 177.91 2ayx s LYS 756 N -0.18 4.07 -0.82 4.03 -0.14 -1.26 -4.99 119.74 120.45 2ayx s LYS 756 Ca 0.10 -3.14 -0.25 0.00 -1.36 0.00 0.00 55.97 51.32 2ayx s LYS 756 Cb -0.12 -4.50 0.01 0.00 -1.68 0.00 0.00 37.83 31.55 2ayx s LYS 756 CO 0.01 -1.25 1.57 -0.46 -0.76 0.00 0.00 175.35 174.46 2ayx s TRP 757 N -1.11 2.13 -1.18 3.18 -0.11 -1.26 -4.87 118.94 115.72 2ayx s TRP 757 Ca 0.29 0.04 -0.03 0.00 1.22 0.00 0.00 56.10 57.61 2ayx s TRP 757 Cb -0.10 -4.43 0.21 0.00 -1.50 0.00 0.00 33.47 27.65 2ayx s TRP 757 CO -0.08 -2.03 2.14 1.04 -4.62 0.00 0.00 176.95 173.40 2ayx n GLN 758 N 9.11 4.95 0.00 5.86 6.02 -1.26 -4.63 117.38 137.43 2ayx n GLN 758 Ca 0.22 -3.98 0.00 0.00 -0.01 0.00 0.00 57.00 53.22 2ayx n GLN 758 Cb 0.50 -2.55 0.00 0.00 1.02 0.00 0.00 30.24 29.21 2ayx n GLN 758 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ayx n GLY 759 N 0.91 1.09 0.11 1.08 0.00 -1.26 -4.70 105.19 102.41 2ayx n GLY 759 Ca 0.56 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.54 2ayx n GLY 759 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2ayx h ARG 760 N 0.00 -0.15 -2.59 1.61 2.43 -0.81 -3.44 114.38 111.44 2ayx h ARG 760 Ca 0.00 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 2ayx h ARG 760 Cb 0.00 0.03 -0.17 0.00 -0.42 0.00 0.00 29.97 29.41 2ayx h ARG 760 CO 0.00 0.00 0.05 0.00 -1.51 0.00 0.00 179.97 178.51 2ayx s ALA 761 N -2.95 -1.39 -0.08 2.80 0.00 -1.24 -4.81 121.76 114.09 2ayx s ALA 761 Ca -0.04 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.68 2ayx s ALA 761 Cb 0.00 0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.39 2ayx s ALA 761 CO 0.15 -0.44 -0.06 0.54 0.00 0.00 0.00 175.76 175.95 2ayx s VAL 762 N -1.98 0.79 -0.31 0.00 0.11 -0.57 -1.69 120.40 116.75 2ayx s VAL 762 Ca -0.08 -0.18 -0.09 0.00 -2.93 0.00 0.00 61.98 58.70 2ayx s VAL 762 Cb -0.01 -0.82 0.00 0.00 -1.53 0.00 0.00 36.38 34.02 2ayx s VAL 762 CO 0.02 0.31 0.13 -0.69 -3.33 0.00 0.00 175.10 171.54 2ayx s VAL 763 N 1.46 4.35 -0.35 2.04 1.01 0.47 -0.76 120.40 128.62 2ayx s VAL 763 Ca -0.01 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 2ayx s VAL 763 Cb -0.13 -3.23 0.03 0.00 0.00 0.00 0.00 36.38 33.04 2ayx s VAL 763 CO -0.04 0.06 0.15 -0.89 0.00 0.00 0.00 175.10 174.38 2ayx s THR 764 N 1.57 4.18 0.59 3.92 2.01 0.22 -0.91 115.64 127.21 2ayx s THR 764 Ca 0.04 -0.93 -0.17 0.00 0.31 0.00 0.00 61.69 60.93 2ayx s THR 764 Cb -0.17 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 2ayx s THR 764 CO 0.05 -0.16 1.11 -0.36 -0.69 0.00 0.00 174.62 174.56 2ayx s PHE 765 N 1.49 2.72 -0.24 4.92 0.08 -0.05 -1.46 117.98 125.43 2ayx s PHE 765 Ca 0.01 1.54 -0.17 0.00 0.12 0.00 0.00 56.93 58.43 2ayx s PHE 765 Cb -0.19 -3.19 0.07 0.00 -0.57 0.00 0.00 43.02 39.14 2ayx s PHE 765 CO 0.05 -1.51 0.62 0.00 -0.10 0.00 0.00 175.22 174.27 2ayx n ARG 767 N 3.75 4.29 0.00 0.00 1.74 -1.26 -3.69 116.66 121.49 2ayx n ARG 767 Ca -0.18 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 56.86 2ayx n ARG 767 Cb 0.57 -0.40 0.00 0.00 -1.02 0.00 0.00 32.46 31.61 2ayx n ARG 767 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2ayx n ARG 768 N -0.62 0.00 -3.97 5.56 5.12 -1.26 -5.06 116.66 116.42 2ayx n ARG 768 Ca 0.00 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.57 2ayx n ARG 768 Cb 0.01 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.21 2ayx n ARG 768 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2ayx s HIS 769 N -0.71 3.27 -0.44 -1.55 2.46 -1.26 -4.97 115.29 112.09 2ayx s HIS 769 Ca 0.00 0.10 0.09 0.00 0.47 0.00 0.00 55.06 55.72 2ayx s HIS 769 Cb 0.00 -2.09 0.24 0.00 -0.13 0.00 0.00 32.58 30.60 2ayx s HIS 769 CO 0.00 0.17 1.19 1.51 -2.47 0.00 0.00 174.74 175.14 2ayx n ILE 770 N 3.53 1.28 -0.48 0.89 3.06 -1.26 -4.51 119.36 121.88 2ayx n ILE 770 Ca -0.16 -1.26 -0.02 0.00 -2.50 0.00 0.00 62.75 58.81 2ayx n ILE 770 Cb 0.52 0.31 -0.03 0.00 0.54 0.00 0.00 39.64 40.99 2ayx n ILE 770 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2ayx n GLY 771 N -0.16 2.21 3.74 4.50 0.00 -1.26 -4.78 105.19 109.44 2ayx n GLY 771 Ca 0.10 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 2ayx n GLY 771 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ayx s ILE 772 N 0.57 4.49 -0.43 -0.61 -1.09 -1.26 -5.04 121.20 117.82 2ayx s ILE 772 Ca 0.10 -0.48 -0.34 0.00 -2.23 0.00 0.00 60.65 57.70 2ayx s ILE 772 Cb 0.05 -3.03 -0.12 0.00 -1.58 0.00 0.00 42.46 37.78 2ayx s ILE 772 CO 0.00 0.37 2.27 -2.65 -1.23 0.00 0.00 174.94 173.70 2ayx n PRO 773 N 1.29 0.97 0.00 2.79 -0.02 -1.26 -4.93 135.00 133.85 2ayx n PRO 773 Ca -0.14 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 2ayx n PRO 773 Cb 0.53 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 2ayx n PRO 773 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2ayx n LEU 774 N 10.70 0.00 -0.00 2.45 -0.00 -1.26 -4.15 117.00 124.74 2ayx n LEU 774 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.44 2ayx n LEU 774 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.67 2ayx n LEU 774 CO 0.77 0.00 0.16 -0.62 -0.00 0.00 0.00 177.39 177.70 2ayx n GLU 775 N 0.00 0.32 0.23 1.47 4.71 -0.20 -0.48 120.64 126.69 2ayx n GLU 775 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 57.16 57.30 2ayx n GLU 775 Cb 0.00 -1.00 0.59 0.00 -1.01 0.00 0.00 31.44 30.02 2ayx n GLU 775 CO 0.00 0.00 0.00 1.57 0.09 0.00 0.00 177.13 178.79 2ayx h LYS 776 N 0.00 0.00 -6.00 3.49 2.10 -1.92 -3.42 116.57 110.82 2ayx h LYS 776 Ca 0.00 0.00 -0.67 0.00 -2.00 0.00 0.00 60.65 57.98 2ayx h LYS 776 Cb 0.00 0.00 -0.31 0.00 -0.90 0.00 0.00 32.23 31.02 2ayx h LYS 776 CO 0.00 0.00 -0.88 0.00 -2.00 0.00 0.00 179.45 176.57 2ayx s ALA 777 N -3.53 2.05 -0.24 0.07 0.00 0.37 -5.09 121.76 115.39 2ayx s ALA 777 Ca 0.03 -1.00 -0.29 0.00 0.00 0.00 0.00 51.96 50.70 2ayx s ALA 777 Cb 0.09 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 2ayx s ALA 777 CO 0.51 0.41 1.90 -1.25 0.00 0.00 0.00 175.76 177.34 2ayx s PRO 778 N -0.22 3.43 0.00 0.00 0.04 -1.26 -1.83 135.00 135.16 2ayx s PRO 778 Ca -0.01 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2ayx s PRO 778 Cb -0.13 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.20 2ayx s PRO 778 CO 0.03 -1.74 0.00 0.41 0.04 0.00 0.00 177.00 175.73 2ayx n GLY 779 N 5.30 0.76 3.60 0.56 0.00 -1.26 -5.08 105.19 109.07 2ayx n GLY 779 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 2ayx n GLY 779 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ayx s GLU 780 N -0.49 3.37 0.04 1.61 8.01 -0.76 -1.51 118.70 128.96 2ayx s GLU 780 Ca 0.00 -0.45 0.02 0.00 0.01 0.00 0.00 54.97 54.55 2ayx s GLU 780 Cb 0.00 -2.88 -0.02 0.00 -4.31 0.00 0.00 34.13 26.92 2ayx s GLU 780 CO 0.00 0.46 -0.08 -1.58 0.01 0.00 0.00 175.26 174.08 2ayx s TRP 781 N -0.23 0.67 0.22 1.61 0.52 0.06 -1.03 118.94 120.75 2ayx s TRP 781 Ca 0.05 -0.45 0.03 0.00 0.02 0.00 0.00 56.10 55.75 2ayx s TRP 781 Cb -0.13 -0.40 -0.05 0.00 -1.15 0.00 0.00 33.47 31.74 2ayx s TRP 781 CO 0.02 -0.07 -0.00 0.14 0.02 0.00 0.00 176.95 177.06 2ayx s VAL 782 N -1.22 0.94 -0.29 4.03 -7.23 -1.26 -0.61 120.40 114.77 2ayx s VAL 782 Ca -0.08 -2.02 -0.20 0.00 -1.81 0.00 0.00 61.98 57.87 2ayx s VAL 782 Cb -0.09 -2.28 0.15 0.00 0.56 0.00 0.00 36.38 34.72 2ayx s VAL 782 CO 0.00 -0.36 1.09 -2.28 -0.31 0.00 0.00 175.10 173.24 2ayx s HIS 783 N -3.48 -0.42 -0.57 2.82 2.46 -0.53 -4.87 115.29 110.70 2ayx s HIS 783 Ca 0.27 0.89 -0.16 0.00 0.47 0.00 0.00 55.06 56.53 2ayx s HIS 783 Cb 0.06 0.33 0.13 0.00 -0.13 0.00 0.00 32.58 32.97 2ayx s HIS 783 CO 0.07 -0.20 0.57 -1.12 -2.47 0.00 0.00 174.74 171.59 2ayx s SER 784 N 0.82 6.23 0.11 9.88 0.01 -1.24 -1.49 113.70 128.01 2ayx s SER 784 Ca -0.03 -1.78 -0.22 0.00 1.31 0.00 0.00 55.95 55.22 2ayx s SER 784 Cb -0.04 -2.23 0.08 0.00 0.21 0.00 0.00 66.02 64.04 2ayx s SER 784 CO -0.12 -0.90 1.05 1.33 0.41 0.00 0.00 173.24 175.02 2ayx n VAL 785 N 5.23 0.00 -1.06 3.43 0.24 -1.26 -4.99 118.33 119.91 2ayx n VAL 785 Ca -0.11 -0.40 0.04 0.00 -2.04 0.00 0.00 64.34 61.83 2ayx n VAL 785 Cb 0.41 0.67 0.28 0.00 -1.47 0.00 0.00 33.84 33.72 2ayx n VAL 785 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ayx n ALA 786 N -0.96 3.61 -3.23 2.33 0.00 -1.26 -4.84 120.51 116.16 2ayx n ALA 786 Ca -0.12 -2.40 -0.12 0.00 0.00 0.00 0.00 53.44 50.80 2ayx n ALA 786 Cb 0.55 -0.87 0.05 0.00 0.00 0.00 0.00 19.45 19.17 2ayx n ALA 786 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ayx n ALA 787 N -0.41 -2.50 0.16 0.00 0.00 -1.26 -4.84 120.51 111.66 2ayx n ALA 787 Ca 0.28 0.07 -0.14 0.00 0.00 0.00 0.00 53.44 53.64 2ayx n ALA 787 Cb 1.05 -4.35 -0.08 0.00 0.00 0.00 0.00 19.45 16.07 2ayx n ALA 787 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2ayx h PRO 788 N -0.67 -0.37 0.00 0.00 0.11 -2.01 -3.44 132.00 125.62 2ayx h PRO 788 Ca -0.43 0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.67 2ayx h PRO 788 Cb 1.22 0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.39 2ayx h PRO 788 CO 0.40 -0.13 -0.07 -2.39 -0.21 0.00 0.00 178.00 175.61 2ayx n HIS 789 N -5.18 0.00 0.00 0.65 1.44 -1.26 -5.02 115.22 105.85 2ayx n HIS 789 Ca -0.10 -0.11 0.00 0.00 -2.01 0.00 0.00 57.72 55.50 2ayx n HIS 789 Cb 0.23 0.28 0.00 0.00 0.12 0.00 0.00 29.99 30.62 2ayx n HIS 789 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 2ayx n GLU 790 N 0.00 0.00 0.20 -1.40 -0.00 -1.26 -4.63 120.64 113.55 2ayx n GLU 790 Ca -0.06 0.00 -0.15 0.00 -0.00 0.00 0.00 57.16 56.95 2ayx n GLU 790 Cb 0.33 -0.61 -0.07 0.00 -0.00 0.00 0.00 31.44 31.08 2ayx n GLU 790 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2ayx h LEU 791 N 0.00 -0.64 -2.26 -1.84 7.12 -1.95 -0.18 115.31 115.57 2ayx h LEU 791 Ca 0.00 0.05 -0.00 0.00 0.13 0.00 0.00 57.88 58.06 2ayx h LEU 791 Cb 0.90 0.21 -0.00 0.00 -0.53 0.00 0.00 40.66 41.24 2ayx h LEU 791 CO 0.00 -0.37 -0.02 1.55 -0.13 0.00 0.00 178.44 179.47 2ayx h PRO 792 N -0.56 0.00 -0.22 5.25 0.13 -1.89 -1.17 132.00 133.53 2ayx h PRO 792 Ca -0.02 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.00 2ayx h PRO 792 Cb 0.49 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 2ayx h PRO 792 CO -0.01 0.02 -0.29 0.00 -0.23 0.00 0.00 178.00 177.48 2ayx h ALA 793 N 1.98 0.34 -0.70 -0.56 0.00 -1.66 -2.09 119.26 116.57 2ayx h ALA 793 Ca -0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 2ayx h ALA 793 Cb 0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2ayx h ALA 793 CO 0.00 0.35 0.34 1.25 0.00 0.00 0.00 179.25 181.20 2ayx h LEU 794 N 0.29 0.89 -0.01 0.00 7.12 -0.05 -1.32 115.31 122.22 2ayx h LEU 794 Ca 0.03 -0.09 -0.00 0.00 0.13 0.00 0.00 57.88 57.95 2ayx h LEU 794 Cb 0.87 -0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 40.77 2ayx h LEU 794 CO 0.07 0.74 0.00 -0.07 -0.13 0.00 0.00 178.44 179.06 2ayx h LEU 795 N 0.98 0.01 -0.17 2.25 -0.00 -1.15 0.67 115.31 117.90 2ayx h LEU 795 Ca 0.24 -0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 2ayx h LEU 795 Cb 0.09 -0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.73 2ayx h LEU 795 CO -0.03 0.16 0.11 0.00 -0.00 0.00 0.00 178.44 178.68 2ayx h ALA 796 N 0.85 0.21 0.00 1.53 0.00 -1.14 -2.29 119.26 118.43 2ayx h ALA 796 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2ayx h ALA 796 Cb 0.15 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2ayx h ALA 796 CO -0.00 -0.30 -0.05 0.07 0.00 0.00 0.00 179.25 178.97 2ayx h ARG 797 N 0.23 0.00 -0.03 0.00 0.11 -1.21 -0.05 114.38 113.42 2ayx h ARG 797 Ca 0.06 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.01 2ayx h ARG 797 Cb -0.03 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.04 2ayx h ARG 797 CO -0.01 0.05 -0.60 0.82 0.10 0.00 0.00 179.97 180.32 2ayx h ILE 798 N 0.00 1.41 0.00 0.08 2.04 -0.30 -3.31 117.51 117.44 2ayx h ILE 798 Ca -0.00 -2.03 -0.05 0.00 1.00 0.00 0.00 64.86 63.78 2ayx h ILE 798 Cb 0.64 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 2ayx h ILE 798 CO 0.01 0.59 -0.43 1.88 0.00 0.00 0.00 178.15 180.20 2ayx h TYR 799 N 0.08 0.00 -6.42 1.37 0.05 -1.10 -3.49 116.97 107.46 2ayx h TYR 799 Ca -0.01 0.00 -0.47 0.00 0.05 0.00 0.00 58.73 58.30 2ayx h TYR 799 Cb 1.08 0.00 0.06 0.00 1.01 0.00 0.00 36.73 38.88 2ayx h TYR 799 CO 0.01 0.48 -0.95 1.28 -1.05 0.00 0.00 178.16 177.93 2ayx n LEU 800 N -4.63 -2.19 -0.09 3.88 4.77 -0.07 -4.93 117.00 113.75 2ayx n LEU 800 Ca -0.11 -1.08 -0.17 0.00 -0.03 0.00 0.00 56.01 54.63 2ayx n LEU 800 Cb 0.31 -2.18 -0.06 0.00 -2.33 0.00 0.00 43.42 39.17 2ayx n LEU 800 CO 0.13 0.53 -0.97 -0.38 -1.33 0.00 0.00 177.39 175.37 2ayx n ILE 801 N -4.32 1.24 -0.48 -0.08 5.41 -1.26 -4.99 119.36 114.88 2ayx n ILE 801 Ca -0.10 -0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.53 2ayx n ILE 801 Cb 0.58 -1.91 0.00 0.00 -0.71 0.00 0.00 39.64 37.60 2ayx n ILE 801 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2ayx n GLU 802 N -4.03 0.00 -3.15 0.38 -0.58 -1.26 -4.79 120.64 107.21 2ayx n GLU 802 Ca -0.30 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.48 2ayx n GLU 802 Cb 0.65 -3.86 -0.00 0.00 -0.57 0.00 0.00 31.44 27.66 2ayx n GLU 802 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ayx s MET 803 N -0.58 0.56 0.00 3.49 0.23 -1.24 -4.18 119.30 117.57 2ayx s MET 803 Ca 0.00 0.51 0.00 0.00 -1.03 0.00 0.00 55.69 55.17 2ayx s MET 803 Cb 0.00 0.24 0.00 0.00 -1.53 0.00 0.00 34.83 33.54 2ayx s MET 803 CO 0.00 -1.03 0.00 -0.85 -2.03 0.00 0.00 175.02 171.11 2ayx n GLU 804 N 5.38 0.00 -3.64 3.16 0.28 -0.19 -4.96 120.64 120.67 2ayx n GLU 804 Ca 0.05 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.83 2ayx n GLU 804 Cb 0.54 0.00 0.06 0.00 1.43 0.00 0.00 31.44 33.47 2ayx n GLU 804 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2ayx n SER 805 N -2.14 -3.12 0.02 -1.84 7.64 -1.21 -4.89 113.62 108.07 2ayx n SER 805 Ca 0.00 -0.70 -0.06 0.00 1.01 0.00 0.00 58.87 59.12 2ayx n SER 805 Cb 0.00 -4.53 -0.12 0.00 -1.01 0.00 0.00 64.21 58.56 2ayx n SER 805 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2ayx h ASP 806 N -2.09 0.00 -4.86 6.43 3.58 -1.83 -3.49 116.42 114.16 2ayx h ASP 806 Ca -0.59 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 56.78 2ayx h ASP 806 Cb 1.36 0.00 0.06 0.00 1.72 0.00 0.00 39.33 42.47 2ayx h ASP 806 CO 0.56 0.89 -0.26 -0.67 -2.88 0.00 0.00 179.24 176.89 2ayx n ASP 807 N -3.09 -6.17 -2.81 2.28 2.03 -0.45 -4.95 116.55 103.39 2ayx n ASP 807 Ca -0.11 -0.25 -0.34 0.00 0.52 0.00 0.00 54.79 54.61 2ayx n ASP 807 Cb 0.97 -4.28 -0.01 0.00 -0.72 0.00 0.00 41.12 37.08 2ayx n ASP 807 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2ayx n PRO 808 N -2.08 2.88 -0.70 -0.67 -0.04 -1.26 -4.74 135.00 128.39 2ayx n PRO 808 Ca -0.02 -3.07 -0.14 0.00 -0.04 0.00 0.00 63.50 60.23 2ayx n PRO 808 Cb 0.54 -2.25 0.09 0.00 -0.04 0.00 0.00 33.50 31.84 2ayx n PRO 808 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ayx n ALA 809 N 0.26 4.31 -2.69 0.55 0.00 -1.26 -4.82 120.51 116.86 2ayx n ALA 809 Ca 0.52 -1.61 -0.36 0.00 0.00 0.00 0.00 53.44 51.98 2ayx n ALA 809 Cb 0.38 -1.26 -0.08 0.00 0.00 0.00 0.00 19.45 18.48 2ayx n ALA 809 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2ayx s ASN 810 N -0.23 6.25 -0.31 0.00 3.84 -1.26 -5.03 114.94 118.20 2ayx s ASN 810 Ca 0.31 0.28 -0.01 0.00 0.21 0.00 0.00 52.86 53.65 2ayx s ASN 810 Cb 0.26 -2.14 0.19 0.00 -0.55 0.00 0.00 41.25 39.02 2ayx s ASN 810 CO 0.05 0.08 0.80 0.00 -2.79 0.00 0.00 177.10 175.24 2ayx s ALA 811 N 0.82 -3.19 0.16 1.71 0.00 -1.26 -5.14 121.76 114.86 2ayx s ALA 811 Ca 0.11 1.10 -0.30 0.00 0.00 0.00 0.00 51.96 52.87 2ayx s ALA 811 Cb -0.13 -2.71 -0.07 0.00 0.00 0.00 0.00 23.12 20.20 2ayx s ALA 811 CO 0.03 -2.03 1.19 -0.48 0.00 0.00 0.00 175.76 174.48 2ayx s LEU 812 N 2.70 4.44 -0.97 0.00 0.05 -1.26 -4.93 118.68 118.70 2ayx s LEU 812 Ca 0.18 2.18 -0.24 0.00 0.05 0.00 0.00 54.13 56.30 2ayx s LEU 812 Cb -0.05 -3.60 -0.03 0.00 -2.05 0.00 0.00 46.19 40.46 2ayx s LEU 812 CO -0.22 -0.38 1.85 -2.84 -0.55 0.00 0.00 176.35 174.21 2ayx s PRO 813 N 0.04 2.77 -0.61 1.48 0.02 -1.26 -4.91 135.00 132.54 2ayx s PRO 813 Ca 0.54 -0.61 -0.26 0.00 0.02 0.00 0.00 61.00 60.69 2ayx s PRO 813 Cb -0.32 -5.16 -0.10 0.00 0.02 0.00 0.00 34.50 28.95 2ayx s PRO 813 CO 0.35 -3.22 2.42 -1.13 -0.33 0.00 0.00 177.00 175.09 2ayx n SER 814 N 12.97 2.08 -4.44 2.53 3.41 -1.26 -4.89 113.62 124.02 2ayx n SER 814 Ca 0.40 -0.86 -0.44 0.00 -0.26 0.00 0.00 58.87 57.71 2ayx n SER 814 Cb 0.48 -1.60 -0.05 0.00 -0.26 0.00 0.00 64.21 62.78 2ayx n SER 814 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2ayx s THR 815 N 13.10 4.66 0.75 6.66 2.01 -1.26 -4.73 115.64 136.82 2ayx s THR 815 Ca 0.97 -0.48 -0.10 0.00 0.31 0.00 0.00 61.69 62.39 2ayx s THR 815 Cb -0.18 -4.47 0.06 0.00 0.01 0.00 0.00 72.50 67.92 2ayx s THR 815 CO 0.20 -1.08 1.10 -0.62 -0.69 0.00 0.00 174.62 173.53 2ayx s ASP 816 N 3.19 4.87 0.04 3.53 -1.08 -1.26 -5.05 116.67 120.91 2ayx s ASP 816 Ca 0.18 0.79 -0.22 0.00 -0.52 0.00 0.00 52.55 52.78 2ayx s ASP 816 Cb -0.19 -1.42 -0.06 0.00 -1.46 0.00 0.00 42.92 39.79 2ayx s ASP 816 CO 0.11 -1.64 0.66 -0.54 0.52 0.00 0.00 175.17 174.28 2ayx s LYS 817 N -5.41 4.38 0.16 4.34 3.01 -1.26 -4.97 119.74 119.98 2ayx s LYS 817 Ca 0.60 0.88 -0.17 0.00 -1.01 0.00 0.00 55.97 56.28 2ayx s LYS 817 Cb -0.11 -3.32 0.07 0.00 -1.01 0.00 0.00 37.83 33.46 2ayx s LYS 817 CO 0.48 0.41 1.70 0.00 0.51 0.00 0.00 175.35 178.45 2ayx h ALA 818 N 5.33 0.31 -2.75 5.17 0.00 -1.96 -3.38 119.26 121.97 2ayx h ALA 818 Ca -0.46 0.11 -0.58 0.00 0.00 0.00 0.00 54.91 53.98 2ayx h ALA 818 Cb 1.20 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 19.12 2ayx h ALA 818 CO 0.69 -0.41 -0.08 0.08 0.00 0.00 0.00 179.25 179.52 2ayx s VAL 819 N -6.19 4.94 -1.04 0.00 1.01 -1.26 -4.98 120.40 112.88 2ayx s VAL 819 Ca -0.13 1.09 -0.24 0.00 0.00 0.00 0.00 61.98 62.70 2ayx s VAL 819 Cb 0.13 -3.85 -0.10 0.00 0.00 0.00 0.00 36.38 32.55 2ayx s VAL 819 CO 0.70 0.47 2.02 -0.44 0.00 0.00 0.00 175.10 177.86 2ayx s SER 820 N -0.48 4.67 0.01 3.32 0.01 -1.26 -4.86 113.70 115.11 2ayx s SER 820 Ca 0.28 -1.08 0.00 0.00 1.31 0.00 0.00 55.95 56.46 2ayx s SER 820 Cb -0.18 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.47 2ayx s SER 820 CO 0.16 -3.35 -0.02 -0.62 0.41 0.00 0.00 173.24 169.81 2ayx s ASP 821 N 7.74 0.21 0.00 2.44 2.15 -1.26 -5.03 116.67 122.92 2ayx s ASP 821 Ca 0.74 -0.24 0.00 0.00 0.43 0.00 0.00 52.55 53.48 2ayx s ASP 821 Cb -0.04 0.03 0.00 0.00 -0.30 0.00 0.00 42.92 42.61 2ayx s ASP 821 CO 0.09 -0.12 0.46 -3.20 -0.17 0.00 0.00 175.17 172.23 2ayx n ASN 822 N 2.40 0.00 -3.99 -0.34 2.85 -1.26 -4.85 115.26 110.07 2ayx n ASN 822 Ca -0.17 -1.18 -0.21 0.00 -0.11 0.00 0.00 54.58 52.91 2ayx n ASN 822 Cb 0.58 -0.04 -0.16 0.00 1.24 0.00 0.00 39.78 41.40 2ayx n ASN 822 CO 0.00 0.00 0.00 1.51 -2.11 0.00 0.00 177.26 176.66 2ayx s ASP 823 N -0.18 1.24 0.01 1.20 -4.77 -1.26 -4.59 116.67 108.32 2ayx s ASP 823 Ca 0.00 -0.19 0.00 0.00 -3.30 0.00 0.00 52.55 49.06 2ayx s ASP 823 Cb 0.00 -0.39 0.00 0.00 -1.09 0.00 0.00 42.92 41.44 2ayx s ASP 823 CO 0.00 0.05 0.00 -0.67 0.70 0.00 0.00 175.17 175.25 2ayx n ASP 824 N 3.44 -0.04 -4.49 2.11 2.03 -1.26 -5.09 116.55 113.26 2ayx n ASP 824 Ca -0.20 0.01 -0.35 0.00 0.52 0.00 0.00 54.79 54.77 2ayx n ASP 824 Cb 0.53 0.38 -0.12 0.00 -0.72 0.00 0.00 41.12 41.20 2ayx n ASP 824 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 2ayx s MET 825 N -1.01 3.71 -0.37 -0.67 1.75 -1.26 -5.07 119.30 116.37 2ayx s MET 825 Ca 0.00 -0.47 -0.16 0.00 -1.25 0.00 0.00 55.69 53.81 2ayx s MET 825 Cb 0.00 -3.18 0.00 0.00 2.84 0.00 0.00 34.83 34.50 2ayx s MET 825 CO 0.00 0.02 0.41 1.41 -0.65 0.00 0.00 175.02 176.20 2ayx s MET 826 N 1.03 3.39 -0.10 4.11 1.75 -1.26 -2.46 119.30 125.76 2ayx s MET 826 Ca 0.03 -0.52 0.01 0.00 -1.25 0.00 0.00 55.69 53.96 2ayx s MET 826 Cb -0.14 -3.87 -0.02 0.00 2.84 0.00 0.00 34.83 33.64 2ayx s MET 826 CO 0.02 -0.66 -0.12 0.42 -0.65 0.00 0.00 175.02 174.03 2ayx s ILE 827 N 2.10 3.22 -0.27 10.11 -1.09 0.06 -1.78 121.20 133.56 2ayx s ILE 827 Ca 0.13 -0.63 -0.10 0.00 -2.23 0.00 0.00 60.65 57.81 2ayx s ILE 827 Cb -0.17 -2.33 -0.05 0.00 -1.58 0.00 0.00 42.46 38.34 2ayx s ILE 827 CO 0.13 0.55 0.17 -0.22 -1.23 0.00 0.00 174.94 174.33 2ayx s LEU 828 N -0.14 3.93 -0.63 2.97 1.98 -0.85 -1.72 118.68 124.21 2ayx s LEU 828 Ca -0.00 -0.03 -0.12 0.00 -2.89 0.00 0.00 54.13 51.08 2ayx s LEU 828 Cb -0.13 -2.08 0.16 0.00 0.66 0.00 0.00 46.19 44.79 2ayx s LEU 828 CO 0.03 -0.04 0.55 0.68 -1.89 0.00 0.00 176.35 175.68 2ayx s VAL 829 N 1.68 4.96 -0.32 1.68 -7.23 0.05 -0.85 120.40 120.36 2ayx s VAL 829 Ca 0.07 -2.03 -0.03 0.00 -1.81 0.00 0.00 61.98 58.17 2ayx s VAL 829 Cb -0.16 -4.16 0.05 0.00 0.56 0.00 0.00 36.38 32.68 2ayx s VAL 829 CO 0.09 -0.90 0.05 -0.69 -0.31 0.00 0.00 175.10 173.34 2ayx s VAL 830 N 0.90 3.23 0.22 1.32 1.01 -0.25 -0.93 120.40 125.90 2ayx s VAL 830 Ca 0.10 -1.37 0.09 0.00 0.00 0.00 0.00 61.98 60.80 2ayx s VAL 830 Cb -0.22 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 2ayx s VAL 830 CO -0.02 -0.17 -0.16 -0.62 0.00 0.00 0.00 175.10 174.12 2ayx s ASP 831 N 1.34 2.82 0.29 3.32 2.15 -1.00 -0.47 116.67 125.12 2ayx s ASP 831 Ca -0.03 -1.00 0.14 0.00 0.43 0.00 0.00 52.55 52.08 2ayx s ASP 831 Cb -0.20 -0.18 0.33 0.00 -0.30 0.00 0.00 42.92 42.58 2ayx s ASP 831 CO -0.00 -0.11 1.57 -0.78 -0.17 0.00 0.00 175.17 175.68 2ayx h ASP 832 N 2.57 0.00 -3.75 -0.34 3.58 -1.66 -3.37 116.42 113.46 2ayx h ASP 832 Ca -0.39 0.00 -0.66 0.00 0.42 0.00 0.00 57.03 56.40 2ayx h ASP 832 Cb 1.23 0.00 -0.37 0.00 1.72 0.00 0.00 39.33 41.91 2ayx h ASP 832 CO 0.60 0.57 -0.81 -1.00 -2.88 0.00 0.00 179.24 175.72 2ayx s HIS 833 N -3.34 3.13 0.41 0.28 3.76 -1.26 -4.95 115.29 113.33 2ayx s HIS 833 Ca 0.01 -2.19 0.25 0.00 -0.15 0.00 0.00 55.06 52.97 2ayx s HIS 833 Cb 0.11 -1.90 1.31 0.00 1.11 0.00 0.00 32.58 33.21 2ayx s HIS 833 CO 0.74 -0.86 1.65 -1.35 -0.85 0.00 0.00 174.74 174.07 2ayx h PRO 834 N 7.81 0.16 -0.34 8.40 0.11 -1.97 0.30 132.00 146.47 2ayx h PRO 834 Ca -0.22 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.82 2ayx h PRO 834 Cb 1.06 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2ayx h PRO 834 CO 0.48 0.11 0.00 -0.84 -0.21 0.00 0.00 178.00 177.54 2ayx h ILE 835 N 0.17 1.26 -0.19 4.15 -0.00 -1.98 -0.01 117.51 120.90 2ayx h ILE 835 Ca 0.77 -0.96 -0.16 0.00 -0.00 0.00 0.00 64.86 64.50 2ayx h ILE 835 Cb 2.23 1.20 0.00 0.00 -0.00 0.00 0.00 36.82 40.25 2ayx h ILE 835 CO -0.45 0.32 -0.52 -1.13 -0.00 0.00 0.00 178.15 176.37 2ayx h ASN 836 N 0.41 0.79 -0.58 2.16 -1.24 -1.04 -2.45 115.58 113.63 2ayx h ASN 836 Ca 0.10 -0.58 0.09 0.00 0.71 0.00 0.00 56.30 56.62 2ayx h ASN 836 Cb 0.45 -0.23 -0.07 0.00 0.73 0.00 0.00 38.32 39.19 2ayx h ASN 836 CO 0.02 1.23 0.20 -0.09 -1.29 0.00 0.00 177.43 177.50 2ayx h ARG 837 N 0.40 0.36 0.00 6.67 2.43 -0.47 -0.59 114.38 123.18 2ayx h ARG 837 Ca -0.01 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 2ayx h ARG 837 Cb 1.14 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 2ayx h ARG 837 CO 0.11 0.24 -0.58 0.07 -1.51 0.00 0.00 179.97 178.30 2ayx h ARG 838 N 0.37 0.00 -0.23 0.20 -0.00 -1.00 -2.59 114.38 111.14 2ayx h ARG 838 Ca 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 60.26 2ayx h ARG 838 Cb 0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.33 2ayx h ARG 838 CO -0.31 0.58 0.09 1.25 -0.00 0.00 0.00 179.97 181.58 2ayx h LEU 839 N 0.00 0.32 -0.71 0.08 5.85 -0.63 0.12 115.31 120.34 2ayx h LEU 839 Ca -0.01 -0.17 -0.14 0.00 0.84 0.00 0.00 57.88 58.41 2ayx h LEU 839 Cb 1.08 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 2ayx h LEU 839 CO 0.08 0.40 -0.56 0.17 -0.34 0.00 0.00 178.44 178.18 2ayx h LEU 840 N 0.22 0.27 -1.29 2.25 -0.00 -1.38 -2.54 115.31 112.83 2ayx h LEU 840 Ca 0.08 -0.15 -0.04 0.00 -0.00 0.00 0.00 57.88 57.77 2ayx h LEU 840 Cb 0.19 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 40.75 2ayx h LEU 840 CO -0.01 0.78 0.00 0.00 -0.00 0.00 0.00 178.44 179.21 2ayx h ALA 841 N 1.23 1.43 -0.35 0.17 0.00 -1.16 -0.14 119.26 120.42 2ayx h ALA 841 Ca -0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2ayx h ALA 841 Cb 1.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2ayx h ALA 841 CO 0.09 0.41 0.04 0.22 0.00 0.00 0.00 179.25 180.00 2ayx h ASP 842 N 0.46 0.58 -0.59 0.00 3.58 -0.41 -0.27 116.42 119.77 2ayx h ASP 842 Ca 0.10 -0.28 -0.06 0.00 0.42 0.00 0.00 57.03 57.21 2ayx h ASP 842 Cb 0.30 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 2ayx h ASP 842 CO 0.01 0.71 0.13 1.56 -2.88 0.00 0.00 179.24 178.77 2ayx h GLN 843 N 0.43 0.95 -0.15 0.28 7.50 -1.05 -1.69 115.11 121.37 2ayx h GLN 843 Ca 0.11 -0.24 -0.03 0.00 0.50 0.00 0.00 58.65 58.99 2ayx h GLN 843 Cb 0.39 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 27.79 2ayx h GLN 843 CO 0.01 0.88 -0.04 1.25 -1.50 0.00 0.00 178.83 179.43 2ayx h LEU 844 N 0.86 0.20 -0.62 1.46 6.46 -0.92 -2.36 115.31 120.40 2ayx h LEU 844 Ca 0.18 -0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 2ayx h LEU 844 Cb 0.37 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.22 2ayx h LEU 844 CO 0.00 0.28 0.33 1.23 -0.62 0.00 0.00 178.44 179.66 2ayx h GLY 845 N 0.55 0.93 1.86 3.75 0.00 -0.13 -1.74 103.07 108.29 2ayx h GLY 845 Ca 0.05 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 2ayx h GLY 845 CO 0.01 0.41 -0.16 1.48 0.00 0.00 0.00 176.54 178.28 2ayx h SER 846 N 0.84 0.16 0.09 0.19 4.64 -0.95 -1.98 113.55 116.55 2ayx h SER 846 Ca 0.22 -0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.42 2ayx h SER 846 Cb 0.06 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2ayx h SER 846 CO -0.03 0.34 -0.26 -0.07 -0.87 0.00 0.00 176.83 175.93 2ayx h LEU 847 N 0.16 0.28 0.00 5.97 3.38 -0.96 -3.47 115.31 120.67 2ayx h LEU 847 Ca 0.03 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2ayx h LEU 847 Cb 0.38 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2ayx h LEU 847 CO 0.02 0.55 0.00 0.61 0.09 0.00 0.00 178.44 179.71 2ayx n GLY 848 N -0.50 0.90 3.69 0.83 0.00 -0.72 -5.08 105.19 104.32 2ayx n GLY 848 Ca -0.01 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 2ayx n GLY 848 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ayx s TYR 849 N -2.00 2.60 -0.14 1.61 2.02 -1.20 -4.98 117.35 115.26 2ayx s TYR 849 Ca 0.00 -0.49 -0.29 0.00 -0.37 0.00 0.00 57.07 55.91 2ayx s TYR 849 Cb 0.00 -1.72 -0.03 0.00 -0.40 0.00 0.00 41.96 39.81 2ayx s TYR 849 CO 0.00 0.33 1.49 -0.65 -1.57 0.00 0.00 175.55 175.15 2ayx s GLN 850 N -3.82 4.10 -0.26 -0.62 -0.21 -1.03 -4.71 119.66 113.12 2ayx s GLN 850 Ca 0.38 1.83 0.02 0.00 0.02 0.00 0.00 55.36 57.61 2ayx s GLN 850 Cb 0.01 -3.91 0.07 0.00 1.00 0.00 0.00 33.01 30.18 2ayx s GLN 850 CO 0.21 -0.91 -0.04 0.00 -2.12 0.00 0.00 175.29 172.43 2ayx s LYS 852 N 1.25 3.95 -0.44 0.00 2.47 -0.70 -4.91 119.74 121.35 2ayx s LYS 852 Ca -0.03 -0.08 -0.22 0.00 -1.56 0.00 0.00 55.97 54.08 2ayx s LYS 852 Cb -0.19 -3.68 0.02 0.00 -1.46 0.00 0.00 37.83 32.53 2ayx s LYS 852 CO -0.07 -0.29 0.71 0.99 0.16 0.00 0.00 175.35 176.85 2ayx s THR 853 N 2.01 4.74 0.20 3.43 2.01 -1.26 -0.77 115.64 126.00 2ayx s THR 853 Ca 0.13 0.28 0.11 0.00 0.31 0.00 0.00 61.69 62.52 2ayx s THR 853 Cb -0.16 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.05 2ayx s THR 853 CO 0.10 -0.65 -0.21 0.00 -0.69 0.00 0.00 174.62 173.18 2ayx s ALA 854 N 3.05 2.40 -0.45 7.40 0.00 -0.11 -5.00 121.76 129.04 2ayx s ALA 854 Ca 0.26 -1.65 0.04 0.00 0.00 0.00 0.00 51.96 50.62 2ayx s ALA 854 Cb -0.13 -0.26 0.18 0.00 0.00 0.00 0.00 23.12 22.90 2ayx s ALA 854 CO 0.21 0.33 0.38 -1.71 0.00 0.00 0.00 175.76 174.96 2ayx n ASN 855 N 0.07 0.06 -0.69 0.00 5.15 -1.26 -2.37 115.26 116.21 2ayx n ASN 855 Ca -0.11 -2.52 0.00 0.00 -0.60 0.00 0.00 54.58 51.35 2ayx n ASN 855 Cb 0.57 -0.59 0.00 0.00 -0.53 0.00 0.00 39.78 39.24 2ayx n ASN 855 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2ayx n ASP 856 N 2.59 0.00 0.03 1.20 2.03 -1.26 -5.00 116.55 116.13 2ayx n ASP 856 Ca 0.28 -0.69 0.00 0.00 0.52 0.00 0.00 54.79 54.90 2ayx n ASP 856 Cb 0.47 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 2ayx n ASP 856 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ayx n GLY 857 N 0.00 -0.04 0.15 0.27 0.00 -1.26 -4.71 105.19 99.60 2ayx n GLY 857 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2ayx n GLY 857 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2ayx h VAL 858 N 0.00 1.41 0.00 1.61 3.04 -1.96 -2.56 116.25 117.79 2ayx h VAL 858 Ca 0.00 -1.98 0.00 0.00 -1.01 0.00 0.00 66.70 63.71 2ayx h VAL 858 Cb 0.51 2.04 0.00 0.00 -2.01 0.00 0.00 31.29 31.83 2ayx h VAL 858 CO 0.00 0.57 0.00 -0.78 -1.01 0.00 0.00 177.57 176.35 2ayx h ASP 859 N 0.07 0.00 0.08 3.17 3.58 -1.98 -2.20 116.42 119.15 2ayx h ASP 859 Ca -0.01 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 2ayx h ASP 859 Cb 1.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.10 2ayx h ASP 859 CO 0.08 0.00 -0.04 0.00 -2.88 0.00 0.00 179.24 176.40 2ayx h ALA 860 N 2.00 -0.11 -0.99 -0.78 0.00 -1.74 -0.52 119.26 117.13 2ayx h ALA 860 Ca 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.81 2ayx h ALA 860 Cb 0.39 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 2ayx h ALA 860 CO 0.00 -0.44 0.65 1.25 0.00 0.00 0.00 179.25 180.71 2ayx h LEU 861 N -0.35 1.09 -0.83 0.00 7.12 -1.57 -1.64 115.31 119.13 2ayx h LEU 861 Ca -0.01 -0.01 0.10 0.00 0.13 0.00 0.00 57.88 58.08 2ayx h LEU 861 Cb 0.30 -0.25 -0.07 0.00 -0.53 0.00 0.00 40.66 40.10 2ayx h LEU 861 CO 0.02 0.75 0.48 -1.13 -0.13 0.00 0.00 178.44 178.43 2ayx h ASN 862 N 1.26 0.68 0.36 1.25 -1.24 -1.13 -2.00 115.58 114.77 2ayx h ASN 862 Ca 0.39 0.05 -0.13 0.00 0.71 0.00 0.00 56.30 57.32 2ayx h ASN 862 Cb -0.02 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 38.94 2ayx h ASN 862 CO -0.12 0.38 -0.55 1.62 -1.29 0.00 0.00 177.43 177.47 2ayx h VAL 863 N 0.79 1.37 -0.38 2.57 3.04 -0.16 -1.38 116.25 122.11 2ayx h VAL 863 Ca 0.40 -1.87 -0.12 0.00 -1.01 0.00 0.00 66.70 64.11 2ayx h VAL 863 Cb 0.38 1.93 -0.01 0.00 -2.01 0.00 0.00 31.29 31.58 2ayx h VAL 863 CO -0.25 0.55 -0.25 -0.07 -1.01 0.00 0.00 177.57 176.54 2ayx h LEU 864 N 0.16 0.79 -0.10 3.16 3.38 -0.87 -0.05 115.31 121.78 2ayx h LEU 864 Ca 0.00 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2ayx h LEU 864 Cb 1.02 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2ayx h LEU 864 CO 0.08 1.00 0.00 0.28 0.09 0.00 0.00 178.44 179.90 2ayx h SER 865 N 0.67 0.00 0.00 -0.43 0.02 -1.24 -3.31 113.55 109.26 2ayx h SER 865 Ca 0.09 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2ayx h SER 865 Cb 0.76 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.30 2ayx h SER 865 CO 0.06 0.00 -0.11 0.11 -1.14 0.00 0.00 176.83 175.75 2ayx h LYS 866 N 0.00 0.00 -4.08 3.45 1.57 -0.69 -3.49 116.57 113.34 2ayx h LYS 866 Ca 0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 2ayx h LYS 866 Cb 0.76 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 32.87 2ayx h LYS 866 CO 0.00 0.25 -0.70 1.21 -0.57 0.00 0.00 179.45 179.64 2ayx s ASN 867 N -5.76 0.35 -0.57 0.86 2.47 -0.08 -5.09 114.94 107.11 2ayx s ASN 867 Ca -0.07 -0.57 -0.28 0.00 0.42 0.00 0.00 52.86 52.36 2ayx s ASN 867 Cb -0.00 0.11 0.02 0.00 -1.45 0.00 0.00 41.25 39.93 2ayx s ASN 867 CO 0.19 -0.33 1.30 -2.28 -3.72 0.00 0.00 177.10 172.27 2ayx s HIS 868 N -1.77 2.44 0.10 0.43 5.65 -1.26 -4.21 115.29 116.67 2ayx s HIS 868 Ca -0.12 0.43 -0.09 0.00 0.25 0.00 0.00 55.06 55.52 2ayx s HIS 868 Cb -0.08 -4.46 -0.06 0.00 -1.18 0.00 0.00 32.58 26.80 2ayx s HIS 868 CO -0.02 -1.79 0.42 0.42 -0.65 0.00 0.00 174.74 173.12 2ayx s ILE 869 N 5.49 5.08 -0.16 0.89 1.09 -1.26 -4.95 121.20 127.38 2ayx s ILE 869 Ca 0.47 0.41 -0.21 0.00 -1.10 0.00 0.00 60.65 60.23 2ayx s ILE 869 Cb -0.09 -3.65 -0.18 0.00 -1.06 0.00 0.00 42.46 37.48 2ayx s ILE 869 CO 0.25 0.22 0.40 0.44 -0.10 0.00 0.00 174.94 176.15 2ayx h ASP 870 N 3.48 0.00 -3.18 3.58 3.32 -1.74 -3.45 116.42 118.42 2ayx h ASP 870 Ca -0.48 -0.61 -0.60 0.00 0.02 0.00 0.00 57.03 55.36 2ayx h ASP 870 Cb 1.19 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.38 2ayx h ASP 870 CO 0.68 1.06 -0.84 -0.63 -1.72 0.00 0.00 179.24 177.79 2ayx s ILE 871 N -2.17 1.56 -0.22 0.35 -1.09 -1.18 -4.12 121.20 114.33 2ayx s ILE 871 Ca -0.19 -0.65 -0.08 0.00 -2.23 0.00 0.00 60.65 57.49 2ayx s ILE 871 Cb 0.01 -1.45 -0.04 0.00 -1.58 0.00 0.00 42.46 39.40 2ayx s ILE 871 CO 0.52 0.46 0.09 -0.69 -1.23 0.00 0.00 174.94 174.09 2ayx s VAL 872 N 1.25 4.78 -0.35 2.92 1.01 -1.11 -2.01 120.40 126.88 2ayx s VAL 872 Ca -0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.87 2ayx s VAL 872 Cb -0.14 -3.20 0.03 0.00 0.00 0.00 0.00 36.38 33.07 2ayx s VAL 872 CO -0.07 0.38 0.15 -0.76 0.00 0.00 0.00 175.10 174.80 2ayx s LEU 873 N 1.02 4.47 -0.41 3.92 1.43 -0.03 -0.65 118.68 128.43 2ayx s LEU 873 Ca 0.05 -1.06 -0.02 0.00 -1.03 0.00 0.00 54.13 52.07 2ayx s LEU 873 Cb -0.14 -1.94 0.11 0.00 0.03 0.00 0.00 46.19 44.25 2ayx s LEU 873 CO 0.03 -0.35 0.20 -0.44 0.23 0.00 0.00 176.35 176.03 2ayx s SER 874 N 1.47 5.22 -0.37 2.29 0.01 -0.32 -1.08 113.70 120.92 2ayx s SER 874 Ca 0.00 -2.07 -0.16 0.00 1.31 0.00 0.00 55.95 55.04 2ayx s SER 874 Cb -0.19 -1.82 0.00 0.00 0.21 0.00 0.00 66.02 64.22 2ayx s SER 874 CO 0.04 -0.53 0.37 -0.62 0.41 0.00 0.00 173.24 172.92 2ayx s ASP 875 N 1.72 6.17 -0.46 2.44 -1.08 0.38 -0.80 116.67 125.05 2ayx s ASP 875 Ca 0.09 -0.44 -0.12 0.00 -0.52 0.00 0.00 52.55 51.56 2ayx s ASP 875 Cb -0.22 -2.20 0.09 0.00 -1.46 0.00 0.00 42.92 39.13 2ayx s ASP 875 CO -0.04 -0.41 0.35 -0.69 0.52 0.00 0.00 175.17 174.89 2ayx s VAL 876 N 2.00 4.65 0.15 1.11 1.01 0.04 -1.69 120.40 127.67 2ayx s VAL 876 Ca 0.11 -1.38 -0.13 0.00 0.00 0.00 0.00 61.98 60.58 2ayx s VAL 876 Cb -0.17 -3.88 0.02 0.00 0.00 0.00 0.00 36.38 32.35 2ayx s VAL 876 CO 0.12 -0.62 1.62 -1.13 0.00 0.00 0.00 175.10 175.09 2ayx h ASN 877 N 8.58 0.80 -2.83 3.32 -1.24 -1.93 -2.28 115.58 119.99 2ayx h ASN 877 Ca -0.25 -0.27 -0.50 0.00 0.71 0.00 0.00 56.30 55.98 2ayx h ASN 877 Cb 1.09 -0.21 -0.40 0.00 0.73 0.00 0.00 38.32 39.53 2ayx h ASN 877 CO 0.85 0.87 -0.77 -0.32 -1.29 0.00 0.00 177.43 176.77 2ayx s MET 878 N -5.15 0.16 -0.05 6.67 1.75 -1.26 -4.57 119.30 116.85 2ayx s MET 878 Ca -0.13 -0.40 -0.10 0.00 -1.25 0.00 0.00 55.69 53.82 2ayx s MET 878 Cb 0.11 -1.31 -0.06 0.00 2.84 0.00 0.00 34.83 36.42 2ayx s MET 878 CO 0.81 -0.93 0.44 -1.35 -0.65 0.00 0.00 175.02 173.34 2ayx h PRO 879 N 8.41 -0.35 -6.45 4.11 0.11 -1.84 -3.48 132.00 132.51 2ayx h PRO 879 Ca -0.19 0.02 -0.44 0.00 0.11 0.00 0.00 66.00 65.51 2ayx h PRO 879 Cb 1.05 0.08 0.03 0.00 0.11 0.00 0.00 31.00 32.26 2ayx h PRO 879 CO 0.40 -0.23 -0.89 -1.71 -0.21 0.00 0.00 178.00 175.35 2ayx n ASN 880 N -4.81 -5.22 0.00 -2.05 5.15 -1.26 -1.40 115.26 105.66 2ayx n ASN 880 Ca -0.05 -0.95 0.00 0.00 -0.60 0.00 0.00 54.58 52.98 2ayx n ASN 880 Cb 0.14 -2.69 0.00 0.00 -0.53 0.00 0.00 39.78 36.70 2ayx n ASN 880 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 2ayx n MET 881 N -3.62 0.00 -2.77 1.20 1.56 -1.26 -4.96 117.12 107.28 2ayx n MET 881 Ca -0.16 0.00 -0.20 0.00 -0.27 0.00 0.00 57.70 57.07 2ayx n MET 881 Cb 0.60 -1.14 0.04 0.00 2.15 0.00 0.00 33.22 34.88 2ayx n MET 881 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2ayx s ASP 882 N -0.94 5.27 0.00 6.12 2.15 -0.50 -4.49 116.67 124.29 2ayx s ASP 882 Ca 0.00 -0.23 0.00 0.00 0.43 0.00 0.00 52.55 52.75 2ayx s ASP 882 Cb 0.00 -0.63 0.00 0.00 -0.30 0.00 0.00 42.92 41.99 2ayx s ASP 882 CO 0.00 -1.13 0.00 0.61 -0.17 0.00 0.00 175.17 174.48 2ayx n GLY 883 N -2.25 2.65 0.25 2.66 0.00 -1.26 -4.71 105.19 102.53 2ayx n GLY 883 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.12 2ayx n GLY 883 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2ayx h TYR 884 N 0.00 0.39 -0.03 1.61 -0.00 -1.96 -1.06 116.97 115.92 2ayx h TYR 884 Ca 0.00 -0.05 -0.14 0.00 -0.00 0.00 0.00 58.73 58.54 2ayx h TYR 884 Cb 0.00 -0.11 -0.02 0.00 -0.00 0.00 0.00 36.73 36.61 2ayx h TYR 884 CO 0.00 0.47 -0.64 0.07 -0.00 0.00 0.00 178.16 178.07 2ayx h ARG 885 N 0.35 0.11 0.08 0.10 -0.00 -1.93 -2.31 114.38 110.79 2ayx h ARG 885 Ca 0.07 -0.08 -0.00 0.00 -0.00 0.00 0.00 59.98 59.96 2ayx h ARG 885 Cb 0.40 0.01 0.00 0.00 -0.00 0.00 0.00 29.97 30.39 2ayx h ARG 885 CO 0.02 0.71 -0.04 1.25 -0.00 0.00 0.00 179.97 181.91 2ayx h LEU 886 N 0.08 -0.09 -0.67 0.08 5.85 -1.60 0.53 115.31 119.49 2ayx h LEU 886 Ca -0.01 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.42 2ayx h LEU 886 Cb 1.14 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 2ayx h LEU 886 CO 0.09 0.20 0.25 0.74 -0.34 0.00 0.00 178.44 179.38 2ayx h THR 887 N -0.38 1.25 -0.67 1.05 2.02 -1.42 -1.13 112.91 113.62 2ayx h THR 887 Ca -0.01 -0.80 -0.04 0.00 0.77 0.00 0.00 66.41 66.33 2ayx h THR 887 Cb 0.33 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 2ayx h THR 887 CO 0.02 0.31 0.27 -0.61 0.37 0.00 0.00 175.52 175.88 2ayx h GLN 888 N 0.96 1.00 -0.41 6.66 5.75 -1.37 -2.27 115.11 125.42 2ayx h GLN 888 Ca 0.22 -0.18 -0.06 0.00 -0.15 0.00 0.00 58.65 58.48 2ayx h GLN 888 Cb 0.24 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 2ayx h GLN 888 CO -0.01 0.83 0.01 -0.09 -2.65 0.00 0.00 178.83 176.92 2ayx h ARG 889 N 0.95 0.72 -0.54 1.69 9.65 -0.58 -0.73 114.38 125.55 2ayx h ARG 889 Ca 0.22 -0.23 -0.09 0.00 -1.10 0.00 0.00 59.98 58.79 2ayx h ARG 889 Cb 0.21 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.70 2ayx h ARG 889 CO -0.02 0.80 -0.02 0.97 2.80 0.00 0.00 179.97 184.50 2ayx h ILE 890 N 0.56 1.27 0.00 1.20 2.10 -1.09 -0.99 117.51 120.55 2ayx h ILE 890 Ca 0.12 -1.13 -0.15 0.00 1.08 0.00 0.00 64.86 64.78 2ayx h ILE 890 Cb 0.47 0.92 -0.02 0.00 -1.09 0.00 0.00 36.82 37.10 2ayx h ILE 890 CO 0.02 0.40 -0.70 0.08 -1.08 0.00 0.00 178.15 176.87 2ayx h ARG 891 N 0.84 0.00 0.01 2.19 0.11 -1.38 -1.41 114.38 114.73 2ayx h ARG 891 Ca 0.15 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.23 2ayx h ARG 891 Cb 0.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.64 2ayx h ARG 891 CO 0.03 0.70 -0.01 0.37 0.10 0.00 0.00 179.97 181.16 2ayx h GLN 892 N 0.00 -0.02 -0.35 0.08 5.75 -0.85 -3.31 115.11 116.42 2ayx h GLN 892 Ca -0.01 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.35 2ayx h GLN 892 Cb 1.31 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.85 2ayx h GLN 892 CO 0.09 0.63 -0.34 -0.07 -2.65 0.00 0.00 178.83 176.49 2ayx h LEU 893 N -0.68 0.84 0.00 -2.39 4.07 -1.29 -3.48 115.31 112.38 2ayx h LEU 893 Ca -0.00 -0.36 0.00 0.00 0.08 0.00 0.00 57.88 57.60 2ayx h LEU 893 Cb 0.65 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.16 2ayx h LEU 893 CO 0.00 1.10 0.00 0.61 -1.08 0.00 0.00 178.44 179.07 2ayx n GLY 894 N -0.01 1.01 3.72 0.83 0.00 -1.01 -5.08 105.19 104.65 2ayx n GLY 894 Ca -0.01 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 2ayx n GLY 894 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2ayx n LEU 895 N 0.00 4.04 -0.18 0.99 -0.00 -0.57 -4.91 117.00 116.38 2ayx n LEU 895 Ca 0.00 1.08 0.04 0.00 -0.00 0.00 0.00 56.01 57.13 2ayx n LEU 895 Cb 0.00 -1.58 0.08 0.00 -0.00 0.00 0.00 43.42 41.92 2ayx n LEU 895 CO 0.00 0.17 0.55 0.35 -0.00 0.00 0.00 177.39 178.46 2ayx n THR 896 N 3.66 1.32 -3.77 1.47 -2.24 -1.26 -5.04 114.28 108.41 2ayx n THR 896 Ca 0.15 -1.39 -0.09 0.00 -2.27 0.00 0.00 64.05 60.45 2ayx n THR 896 Cb 0.35 0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 2ayx n THR 896 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2ayx s LEU 897 N -1.61 -0.10 -0.40 3.22 -0.00 -1.26 -5.03 118.68 113.49 2ayx s LEU 897 Ca 0.15 -0.51 -0.28 0.00 -0.00 0.00 0.00 54.13 53.48 2ayx s LEU 897 Cb 0.11 2.37 -0.01 0.00 -0.00 0.00 0.00 46.19 48.66 2ayx s LEU 897 CO 0.04 -1.16 1.65 -2.84 -0.00 0.00 0.00 176.35 174.04 2ayx s PRO 898 N -3.89 3.34 -0.26 1.48 0.02 -1.26 -4.91 135.00 129.52 2ayx s PRO 898 Ca 0.10 1.11 -0.13 0.00 0.02 0.00 0.00 61.00 62.11 2ayx s PRO 898 Cb -0.03 -4.16 -0.04 0.00 0.02 0.00 0.00 34.50 30.29 2ayx s PRO 898 CO 0.01 -1.86 0.29 0.08 -0.33 0.00 0.00 177.00 175.19 2ayx s VAL 899 N 6.58 5.25 -0.43 3.83 1.01 -1.03 -2.74 120.40 132.86 2ayx s VAL 899 Ca 0.70 0.40 -0.12 0.00 0.00 0.00 0.00 61.98 62.97 2ayx s VAL 899 Cb -0.18 -3.62 0.06 0.00 0.00 0.00 0.00 36.38 32.65 2ayx s VAL 899 CO 0.31 0.22 0.30 -0.63 0.00 0.00 0.00 175.10 175.31 2ayx s ILE 900 N 1.74 4.71 -0.66 2.22 1.09 0.17 -1.87 121.20 128.61 2ayx s ILE 900 Ca 0.12 -1.13 -0.18 0.00 -1.10 0.00 0.00 60.65 58.35 2ayx s ILE 900 Cb -0.15 -3.80 0.12 0.00 -1.06 0.00 0.00 42.46 37.57 2ayx s ILE 900 CO 0.09 -0.47 0.77 -0.83 -0.10 0.00 0.00 174.94 174.40 2ayx s GLY 901 N 2.16 1.88 -0.14 6.18 0.00 0.14 -1.17 107.32 116.37 2ayx s GLY 901 Ca 0.03 -2.41 -0.29 0.00 0.00 0.00 0.00 44.72 42.05 2ayx s GLY 901 CO 0.05 1.60 1.02 0.54 0.00 0.00 0.00 173.10 176.32 2ayx s VAL 902 N 2.43 4.74 0.03 1.40 0.11 0.02 -2.18 120.40 126.95 2ayx s VAL 902 Ca 0.15 2.03 0.08 0.00 -2.93 0.00 0.00 61.98 61.31 2ayx s VAL 902 Cb -0.20 -4.30 -0.03 0.00 -1.53 0.00 0.00 36.38 30.31 2ayx s VAL 902 CO 0.03 -0.05 -0.24 -0.89 -3.33 0.00 0.00 175.10 170.62 2ayx s THR 903 N 2.38 2.35 -0.25 5.04 2.01 0.29 -0.78 115.64 126.67 2ayx s THR 903 Ca 0.47 -1.26 -0.27 0.00 0.31 0.00 0.00 61.69 60.94 2ayx s THR 903 Cb -0.17 -1.92 0.01 0.00 0.01 0.00 0.00 72.50 70.42 2ayx s THR 903 CO 0.14 0.40 0.95 0.00 -0.69 0.00 0.00 174.62 175.43 2ayx s ALA 904 N -0.81 3.63 -0.95 7.40 0.00 -0.86 -2.12 121.76 128.06 2ayx s ALA 904 Ca 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 51.96 52.04 2ayx s ALA 904 Cb -0.10 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 2ayx s ALA 904 CO 0.02 -1.09 0.81 0.09 0.00 0.00 0.00 175.76 175.60 2ayx n ASN 905 N 6.29 -4.69 -0.08 0.00 5.03 -1.26 -4.95 115.26 115.60 2ayx n ASN 905 Ca 0.09 -0.59 -0.11 0.00 0.87 0.00 0.00 54.58 54.85 2ayx n ASN 905 Cb 0.47 -4.53 -0.08 0.00 -1.02 0.00 0.00 39.78 34.62 2ayx n ASN 905 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2ayx n ALA 906 N -3.22 1.65 0.00 5.41 0.00 -1.26 -5.01 120.51 118.08 2ayx n ALA 906 Ca -0.12 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.61 2ayx n ALA 906 Cb 0.62 0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.18 2ayx n ALA 906 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2ayx n LEU 907 N -2.93 0.00 -2.61 0.00 7.94 -1.26 -4.43 117.00 113.71 2ayx n LEU 907 Ca -0.28 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 54.37 2ayx n LEU 907 Cb 0.82 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.67 2ayx n LEU 907 CO 0.17 0.00 2.21 0.00 -1.11 0.00 0.00 177.39 178.66 2ayx n ALA 908 N 0.00 6.78 -0.05 1.96 0.00 -1.26 -4.58 120.51 123.36 2ayx n ALA 908 Ca 0.00 -2.76 0.00 0.00 0.00 0.00 0.00 53.44 50.68 2ayx n ALA 908 Cb 0.00 -2.64 0.30 0.00 0.00 0.00 0.00 19.45 17.10 2ayx n ALA 908 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ayx h GLU 909 N 3.74 0.64 -0.40 0.00 3.07 -1.86 0.75 114.58 120.53 2ayx h GLU 909 Ca 0.48 -0.10 -0.02 0.00 -0.50 0.00 0.00 59.36 59.22 2ayx h GLU 909 Cb 0.90 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.68 2ayx h GLU 909 CO 0.91 0.56 0.18 1.05 -1.40 0.00 0.00 179.01 180.32 2ayx h GLU 910 N 0.63 0.58 -0.56 2.33 -0.00 -1.81 -0.83 114.58 114.92 2ayx h GLU 910 Ca 0.15 -0.09 -0.05 0.00 -0.00 0.00 0.00 59.36 59.37 2ayx h GLU 910 Cb 0.19 -0.10 -0.03 0.00 -0.00 0.00 0.00 28.75 28.81 2ayx h GLU 910 CO -0.01 0.52 0.14 -0.22 -0.00 0.00 0.00 179.01 179.44 2ayx h LYS 911 N 0.50 0.86 -0.72 1.06 3.64 -1.72 -2.35 116.57 117.83 2ayx h LYS 911 Ca 0.14 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2ayx h LYS 911 Cb 0.14 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 2ayx h LYS 911 CO -0.02 0.76 0.45 0.37 -2.27 0.00 0.00 179.45 178.75 2ayx h GLN 912 N 0.83 0.97 -0.98 1.90 4.15 -0.43 0.45 115.11 122.00 2ayx h GLN 912 Ca 0.18 -0.08 0.07 0.00 0.77 0.00 0.00 58.65 59.60 2ayx h GLN 912 Cb 0.29 -0.21 -0.07 0.00 0.21 0.00 0.00 27.48 27.70 2ayx h GLN 912 CO -0.00 0.67 0.63 -0.09 -1.93 0.00 0.00 178.83 178.11 2ayx h ARG 913 N 0.98 1.08 -0.00 1.69 2.43 -0.64 -0.72 114.38 119.20 2ayx h ARG 913 Ca 0.26 -0.07 -0.18 0.00 -0.81 0.00 0.00 59.98 59.19 2ayx h ARG 913 Cb -0.06 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.23 2ayx h ARG 913 CO -0.05 0.72 -0.81 0.00 -1.51 0.00 0.00 179.97 178.32 2ayx h LEU 915 N 0.05 -0.15 0.11 0.00 3.38 0.27 -3.35 115.31 115.63 2ayx h LEU 915 Ca -0.02 -0.38 -0.17 0.00 0.09 0.00 0.00 57.88 57.39 2ayx h LEU 915 Cb 1.41 0.04 0.02 0.00 0.09 0.00 0.00 40.66 42.22 2ayx h LEU 915 CO 0.11 0.36 -0.75 1.05 0.09 0.00 0.00 178.44 179.30 2ayx h GLU 916 N -0.71 0.31 -6.39 1.13 -0.00 -1.31 -3.48 114.58 104.12 2ayx h GLU 916 Ca -0.02 -0.48 -0.48 0.00 -0.00 0.00 0.00 59.36 58.38 2ayx h GLU 916 Cb 0.52 0.17 -0.05 0.00 -0.00 0.00 0.00 28.75 29.39 2ayx h GLU 916 CO 0.03 1.21 -0.83 0.43 -0.00 0.00 0.00 179.01 179.85 2ayx n SER 917 N -4.16 -2.32 0.00 3.06 7.64 -0.87 -4.87 113.62 112.10 2ayx n SER 917 Ca -0.13 -0.90 0.00 0.00 1.01 0.00 0.00 58.87 58.85 2ayx n SER 917 Cb 0.78 -3.47 0.00 0.00 -1.01 0.00 0.00 64.21 60.52 2ayx n SER 917 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ayx n GLY 918 N -1.70 0.00 0.00 0.23 0.00 -1.26 -4.90 105.19 97.55 2ayx n GLY 918 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2ayx n GLY 918 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ayx n MET 919 N -2.03 0.00 0.00 1.61 2.81 -1.26 -4.50 117.12 113.75 2ayx n MET 919 Ca 0.00 0.19 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 2ayx n MET 919 Cb 0.44 -0.64 0.00 0.00 -0.71 0.00 0.00 33.22 32.32 2ayx n MET 919 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2ayx n ASP 920 N -2.05 0.00 -4.61 7.83 -0.08 -0.84 -2.47 116.55 114.33 2ayx n ASP 920 Ca 0.00 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 53.01 2ayx n ASP 920 Cb 0.00 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.36 2ayx n ASP 920 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2ayx s SER 921 N 0.00 3.92 -0.06 1.67 0.01 -0.78 -4.77 113.70 113.69 2ayx s SER 921 Ca 0.00 -1.24 -0.03 0.00 1.31 0.00 0.00 55.95 55.99 2ayx s SER 921 Cb 0.00 -0.41 0.03 0.00 0.21 0.00 0.00 66.02 65.85 2ayx s SER 921 CO 0.00 -0.35 0.14 0.00 0.41 0.00 0.00 173.24 173.43 2ayx s LEU 923 N 0.76 2.79 0.35 0.00 1.43 -0.93 -4.29 118.68 118.80 2ayx s LEU 923 Ca -0.06 -1.35 -0.16 0.00 -1.03 0.00 0.00 54.13 51.53 2ayx s LEU 923 Cb -0.08 -0.85 -0.09 0.00 0.03 0.00 0.00 46.19 45.20 2ayx s LEU 923 CO -0.04 -0.44 0.78 -0.44 0.23 0.00 0.00 176.35 176.45 2ayx s SER 924 N -3.67 6.78 0.25 2.29 0.01 -1.26 -0.55 113.70 117.54 2ayx s SER 924 Ca 0.35 1.35 -0.05 0.00 1.31 0.00 0.00 55.95 58.90 2ayx s SER 924 Cb 0.09 -2.40 0.31 0.00 0.21 0.00 0.00 66.02 64.23 2ayx s SER 924 CO 0.17 -0.25 1.89 0.50 0.41 0.00 0.00 173.24 175.96 2ayx h LYS 925 N 2.10 1.12 -4.95 12.44 3.64 -1.75 -3.32 116.57 125.84 2ayx h LYS 925 Ca -0.48 -0.07 -0.44 0.00 -1.27 0.00 0.00 60.65 58.39 2ayx h LYS 925 Cb 1.18 -0.25 0.06 0.00 -0.41 0.00 0.00 32.23 32.80 2ayx h LYS 925 CO 0.64 0.74 1.31 -2.30 -2.27 0.00 0.00 179.45 177.58 2ayx n PRO 926 N -4.51 0.74 -3.55 1.90 -0.02 -1.26 -4.88 135.00 123.43 2ayx n PRO 926 Ca 0.13 -1.65 -0.40 0.00 -2.02 0.00 0.00 63.50 59.55 2ayx n PRO 926 Cb 0.11 -3.13 -0.11 0.00 -0.02 0.00 0.00 33.50 30.35 2ayx n PRO 926 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ayx s VAL 927 N 9.26 5.13 0.84 -1.45 1.01 -1.25 -5.07 120.40 128.88 2ayx s VAL 927 Ca 0.68 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 62.24 2ayx s VAL 927 Cb 0.08 -3.67 0.16 0.00 0.00 0.00 0.00 36.38 32.95 2ayx s VAL 927 CO 0.21 -0.04 1.16 0.42 0.00 0.00 0.00 175.10 176.85 2ayx s THR 928 N 1.69 2.07 0.18 3.92 -4.23 -1.26 -4.81 115.64 113.20 2ayx s THR 928 Ca 0.06 -0.28 -0.13 0.00 -1.18 0.00 0.00 61.69 60.16 2ayx s THR 928 Cb -0.18 -2.79 0.08 0.00 1.34 0.00 0.00 72.50 70.95 2ayx s THR 928 CO 0.10 0.00 1.80 0.25 -0.54 0.00 0.00 174.62 176.22 2ayx h LEU 929 N -1.10 0.43 -0.56 4.79 7.12 -1.98 0.05 115.31 124.06 2ayx h LEU 929 Ca -0.41 0.02 -0.10 0.00 0.13 0.00 0.00 57.88 57.52 2ayx h LEU 929 Cb 1.25 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 41.30 2ayx h LEU 929 CO 0.40 0.30 -0.03 -0.78 -0.13 0.00 0.00 178.44 178.20 2ayx h ASP 930 N 0.56 0.99 -0.15 1.25 1.82 -1.98 -0.30 116.42 118.61 2ayx h ASP 930 Ca 0.22 -0.32 -0.02 0.00 -0.39 0.00 0.00 57.03 56.53 2ayx h ASP 930 Cb 0.09 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 39.83 2ayx h ASP 930 CO -0.13 1.07 0.03 0.58 -1.61 0.00 0.00 179.24 179.19 2ayx h VAL 931 N 0.89 1.20 -0.14 2.25 2.07 -1.83 0.68 116.25 121.37 2ayx h VAL 931 Ca 0.15 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 66.97 2ayx h VAL 931 Cb 0.58 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2ayx h VAL 931 CO 0.03 0.19 -0.17 -0.29 0.02 0.00 0.00 177.57 177.36 2ayx h ILE 932 N 0.04 1.20 -0.11 4.57 -0.00 -0.93 -0.39 117.51 121.89 2ayx h ILE 932 Ca 0.05 -0.88 -0.02 0.00 -0.00 0.00 0.00 64.86 64.01 2ayx h ILE 932 Cb 0.27 1.29 -0.00 0.00 -0.00 0.00 0.00 36.82 38.37 2ayx h ILE 932 CO 0.00 0.27 0.01 0.50 -0.00 0.00 0.00 178.15 178.93 2ayx h LYS 933 N 0.21 0.19 -0.12 2.19 3.64 -0.63 -0.09 116.57 121.96 2ayx h LYS 933 Ca 0.04 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2ayx h LYS 933 Cb 0.43 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2ayx h LYS 933 CO 0.03 0.41 0.07 1.96 -2.27 0.00 0.00 179.45 179.66 2ayx h GLN 934 N -0.07 0.16 0.17 1.90 1.08 -0.49 -0.11 115.11 117.75 2ayx h GLN 934 Ca 0.03 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2ayx h GLN 934 Cb 0.32 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.72 2ayx h GLN 934 CO 0.00 0.13 -0.09 1.15 -0.95 0.00 0.00 178.83 179.07 2ayx h THR 935 N 0.14 0.80 -0.22 -0.54 2.02 -1.04 0.04 112.91 114.11 2ayx h THR 935 Ca 0.04 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 2ayx h THR 935 Cb 0.01 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2ayx h THR 935 CO -0.01 0.00 0.08 0.25 0.37 0.00 0.00 175.52 176.21 2ayx h LEU 936 N -0.25 0.31 0.02 2.58 7.12 -0.93 -1.40 115.31 122.77 2ayx h LEU 936 Ca -0.02 -0.19 -0.00 0.00 0.13 0.00 0.00 57.88 57.81 2ayx h LEU 936 Cb 0.20 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.25 2ayx h LEU 936 CO 0.02 0.41 -0.01 0.74 -0.13 0.00 0.00 178.44 179.47 2ayx h THR 937 N 0.19 1.11 -0.39 1.05 2.02 -0.95 0.05 112.91 115.99 2ayx h THR 937 Ca 0.07 -0.41 -0.09 0.00 0.77 0.00 0.00 66.41 66.76 2ayx h THR 937 Cb 0.21 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 2ayx h THR 937 CO -0.00 0.10 -0.12 0.25 0.37 0.00 0.00 175.52 176.12 2ayx h LEU 938 N -0.21 0.67 -0.09 2.58 5.85 -0.98 -0.88 115.31 122.27 2ayx h LEU 938 Ca -0.00 -0.20 -0.25 0.00 0.84 0.00 0.00 57.88 58.27 2ayx h LEU 938 Cb 0.20 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.06 2ayx h LEU 938 CO 0.01 0.82 -1.00 1.88 -0.34 0.00 0.00 178.44 179.81 2ayx h TYR 939 N 0.62 0.81 -0.53 1.25 0.05 -1.20 -1.16 116.97 116.81 2ayx h TYR 939 Ca 0.11 -0.44 -0.07 0.00 0.05 0.00 0.00 58.73 58.37 2ayx h TYR 939 Cb 0.57 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.20 2ayx h TYR 939 CO 0.03 1.27 0.04 0.00 -1.05 0.00 0.00 178.16 178.45 2ayx h ALA 940 N 0.58 1.06 0.00 3.88 0.00 -0.75 -0.97 119.26 123.06 2ayx h ALA 940 Ca -0.11 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 2ayx h ALA 940 Cb 1.65 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 2ayx h ALA 940 CO 0.18 0.60 -0.71 1.05 0.00 0.00 0.00 179.25 180.37 2ayx h GLU 941 N 0.82 0.00 -0.15 0.00 4.11 -1.17 -2.26 114.58 115.94 2ayx h GLU 941 Ca 0.16 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.57 2ayx h GLU 941 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2ayx h GLU 941 CO 0.02 0.71 -0.01 -0.09 0.07 0.00 0.00 179.01 179.71 2ayx h ARG 942 N 0.00 0.27 0.00 1.06 9.65 -0.63 -0.94 114.38 123.79 2ayx h ARG 942 Ca -0.01 -0.09 -0.07 0.00 -1.10 0.00 0.00 59.98 58.71 2ayx h ARG 942 Cb 1.33 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.88 2ayx h ARG 942 CO 0.09 0.51 -0.33 -0.39 2.80 0.00 0.00 179.97 182.66 2ayx h VAL 943 N -0.00 1.15 0.00 0.20 -1.51 -1.25 -1.22 116.25 113.62 2ayx h VAL 943 Ca 0.04 -1.17 -0.04 0.00 -1.23 0.00 0.00 66.70 64.31 2ayx h VAL 943 Cb 0.40 1.64 -0.01 0.00 -2.13 0.00 0.00 31.29 31.20 2ayx h VAL 943 CO 0.01 0.32 -0.17 -0.09 -1.23 0.00 0.00 177.57 176.41 2ayx h ARG 944 N 0.00 0.00 -0.08 5.19 9.65 -0.99 -1.51 114.38 126.64 2ayx h ARG 944 Ca -0.00 0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.73 2ayx h ARG 944 Cb 0.62 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.20 2ayx h ARG 944 CO 0.04 0.17 -0.53 0.87 2.80 0.00 0.00 179.97 183.33 2ayx h LYS 945 N 0.00 0.50 -0.07 0.20 1.79 0.06 0.17 116.57 119.23 2ayx h LYS 945 Ca -0.00 -0.43 -0.05 0.00 -2.18 0.00 0.00 60.65 57.99 2ayx h LYS 945 Cb 0.48 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.21 2ayx h LYS 945 CO 0.02 1.06 -0.18 0.77 -1.08 0.00 0.00 179.45 180.05 2ayx h SER 946 N 0.08 0.10 1.89 0.86 0.02 -1.23 0.13 113.55 115.40 2ayx h SER 946 Ca -0.04 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2ayx h SER 946 Cb 1.18 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2ayx h SER 946 CO 0.11 0.29 -0.04 0.03 -1.14 0.00 0.00 176.83 176.08 2ayx h ARG 947 N 0.10 0.00 0.00 3.45 2.47 -1.24 -3.48 114.38 115.67 2ayx h ARG 947 Ca 0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 2ayx h ARG 947 Cb 0.38 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 2ayx h ARG 947 CO 0.03 0.00 0.00 -3.47 0.56 0.00 0.00 179.97 177.09 2ayx n ASP 948 N -2.97 0.00 0.00 7.04 2.03 0.04 -5.07 116.55 117.62 2ayx n ASP 948 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 2ayx n ASP 948 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 2ayx n ASP 948 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08