#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 1.22 0.97 -5.12 0.00 -1.26 -4.25 105.19 96.74 2ayx n GLY 697 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 0.71 3.09 -0.02 0.00 -0.17 -4.90 105.19 103.90 2ayx n GLY 698 Ca 0.00 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.41 3.92 -0.12 1.61 0.01 0.49 -5.00 113.70 112.20 2ayx s SER 699 Ca 0.00 -1.08 -0.02 0.00 1.31 0.00 0.00 55.95 56.15 2ayx s SER 699 Cb 0.00 -1.53 -0.03 0.00 0.21 0.00 0.00 66.02 64.67 2ayx s SER 699 CO 0.00 -0.11 -0.03 -0.83 0.41 0.00 0.00 173.24 172.68 2ayx s GLY 700 N 1.18 1.77 -0.10 3.44 0.00 -1.26 -4.12 107.32 108.23 2ayx s GLY 700 Ca -0.03 -0.82 0.10 0.00 0.00 0.00 0.00 44.72 43.96 2ayx s GLY 700 CO -0.08 -0.35 0.43 -0.62 0.00 0.00 0.00 173.10 172.48 2ayx n VAL 701 N 2.80 1.58 -2.87 1.40 0.31 -1.26 -4.96 118.33 115.34 2ayx n VAL 701 Ca -0.18 -0.77 0.00 0.00 -0.01 0.00 0.00 64.34 63.38 2ayx n VAL 701 Cb 0.53 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 2ayx n VAL 701 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2ayx n GLU 702 N -3.07 2.82 0.00 5.55 4.71 -1.26 -4.88 120.64 124.51 2ayx n GLU 702 Ca -0.25 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.90 2ayx n GLU 702 Cb 1.07 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.50 2ayx n GLU 702 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2ayx n GLY 703 N 3.52 1.62 3.56 0.62 0.00 -1.26 -4.83 105.19 108.42 2ayx n GLY 703 Ca 0.00 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 2ayx n GLY 703 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2ayx s LEU 704 N 0.00 3.40 -0.34 0.99 0.05 -1.26 -4.91 118.68 116.61 2ayx s LEU 704 Ca 0.00 -1.15 -0.01 0.00 0.05 0.00 0.00 54.13 53.02 2ayx s LEU 704 Cb 0.00 -2.57 0.12 0.00 -2.05 0.00 0.00 46.19 41.70 2ayx s LEU 704 CO 0.00 -1.69 0.17 -0.44 -0.55 0.00 0.00 176.35 173.84 2ayx s SER 705 N 5.05 3.41 0.00 1.48 0.01 -1.24 -3.48 113.70 118.92 2ayx s SER 705 Ca 0.46 -1.92 0.00 0.00 1.31 0.00 0.00 55.95 55.81 2ayx s SER 705 Cb -0.02 -0.56 0.00 0.00 0.21 0.00 0.00 66.02 65.64 2ayx s SER 705 CO -0.04 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 173.87 2ayx n GLY 706 N 4.43 0.76 3.76 3.44 0.00 0.11 -5.02 105.19 112.67 2ayx n GLY 706 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2ayx n GLY 706 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ayx s LYS 707 N -0.44 4.30 0.18 1.61 -0.14 -1.25 -4.79 119.74 119.21 2ayx s LYS 707 Ca 0.00 2.27 0.04 0.00 -1.36 0.00 0.00 55.97 56.93 2ayx s LYS 707 Cb 0.00 -3.08 -0.04 0.00 -1.68 0.00 0.00 37.83 33.03 2ayx s LYS 707 CO 0.00 -0.31 0.22 1.03 -0.76 0.00 0.00 175.35 175.53 2ayx s ARG 708 N -1.20 3.16 -0.03 1.68 0.52 -1.26 -0.90 118.95 120.93 2ayx s ARG 708 Ca 0.54 -0.79 -0.00 0.00 -0.52 0.00 0.00 55.73 54.96 2ayx s ARG 708 Cb -0.41 -2.78 0.03 0.00 0.52 0.00 0.00 34.95 32.31 2ayx s ARG 708 CO 0.49 0.48 0.02 0.00 0.02 0.00 0.00 175.30 176.31 2ayx s TRP 710 N 1.17 3.49 -0.14 0.00 0.52 0.04 -0.97 118.94 123.04 2ayx s TRP 710 Ca -0.08 0.85 0.02 0.00 0.02 0.00 0.00 56.10 56.90 2ayx s TRP 710 Cb -0.13 -2.54 0.00 0.00 -1.15 0.00 0.00 33.47 29.65 2ayx s TRP 710 CO -0.02 0.14 -0.19 -1.17 0.02 0.00 0.00 176.95 175.73 2ayx s LEU 711 N 0.73 2.30 -0.43 2.99 2.96 0.23 -0.70 118.68 126.75 2ayx s LEU 711 Ca 0.25 -0.53 0.08 0.00 -0.22 0.00 0.00 54.13 53.72 2ayx s LEU 711 Cb -0.15 -1.50 0.41 0.00 0.50 0.00 0.00 46.19 45.45 2ayx s LEU 711 CO 0.10 0.09 1.01 0.00 -1.32 0.00 0.00 176.35 176.23 2ayx n ALA 712 N 3.98 4.37 -3.46 5.97 0.00 0.08 -1.32 120.51 130.13 2ayx n ALA 712 Ca -0.19 -4.05 -0.35 0.00 0.00 0.00 0.00 53.44 48.84 2ayx n ALA 712 Cb 0.52 -0.70 -0.14 0.00 0.00 0.00 0.00 19.45 19.13 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 -4.54 3.37 -0.44 0.00 1.01 -1.25 -1.90 120.40 116.65 2ayx s VAL 713 Ca 0.43 -0.50 0.23 0.00 0.00 0.00 0.00 61.98 62.14 2ayx s VAL 713 Cb 0.39 -2.53 0.29 0.00 0.00 0.00 0.00 36.38 34.53 2ayx s VAL 713 CO -0.12 0.43 1.55 0.03 0.00 0.00 0.00 175.10 176.99 2ayx h ARG 714 N 7.98 0.00 -6.20 2.72 3.08 -1.96 -3.42 114.38 116.57 2ayx h ARG 714 Ca -0.40 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.12 2ayx h ARG 714 Cb 1.16 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.15 2ayx h ARG 714 CO 0.60 0.00 1.18 1.21 -1.07 0.00 0.00 179.97 181.90 2ayx s ASN 715 N -5.96 5.79 0.35 7.04 3.84 -1.26 -4.86 114.94 119.87 2ayx s ASN 715 Ca 0.06 -0.10 0.04 0.00 0.21 0.00 0.00 52.86 53.07 2ayx s ASN 715 Cb 0.06 -2.55 0.65 0.00 -0.55 0.00 0.00 41.25 38.86 2ayx s ASN 715 CO 0.68 -2.06 1.96 0.00 -2.79 0.00 0.00 177.10 174.89 2ayx h ALA 716 N 12.12 1.49 -0.22 1.71 0.00 -1.98 0.39 119.26 132.77 2ayx h ALA 716 Ca -0.27 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 2ayx h ALA 716 Cb 1.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2ayx h ALA 716 CO 1.25 0.40 0.04 0.77 0.00 0.00 0.00 179.25 181.72 2ayx h SER 717 N 0.67 0.35 -0.20 0.00 0.02 -1.97 0.28 113.55 112.70 2ayx h SER 717 Ca 0.17 -0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 60.79 2ayx h SER 717 Cb 0.09 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 2ayx h SER 717 CO -0.02 0.51 -0.16 0.25 -1.14 0.00 0.00 176.83 176.27 2ayx h LEU 718 N 0.17 0.49 -0.54 5.07 6.46 -1.71 -2.64 115.31 122.62 2ayx h LEU 718 Ca 0.07 -0.45 -0.10 0.00 -0.12 0.00 0.00 57.88 57.27 2ayx h LEU 718 Cb 0.31 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.09 2ayx h LEU 718 CO 0.00 0.84 -0.06 0.00 -0.62 0.00 0.00 178.44 178.60 2ayx h GLN 720 N 0.87 1.15 0.08 0.00 -0.00 -0.96 0.41 115.11 116.66 2ayx h GLN 720 Ca 0.14 -0.07 0.02 0.00 -0.00 0.00 0.00 58.65 58.74 2ayx h GLN 720 Cb 0.62 -0.26 -0.03 0.00 0.00 0.00 0.00 27.48 27.81 2ayx h GLN 720 CO 0.04 0.76 -0.17 0.35 0.00 0.00 0.00 178.83 179.81 2ayx h PHE 721 N 1.19 -0.45 -0.14 3.99 3.57 -1.16 -0.33 116.94 123.60 2ayx h PHE 721 Ca 0.32 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.80 2ayx h PHE 721 Cb -0.13 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 2ayx h PHE 721 CO -0.01 -0.25 -0.02 -0.07 -2.23 0.00 0.00 178.31 175.72 2ayx h LEU 722 N -0.32 0.27 -0.99 0.59 3.38 -1.28 -2.53 115.31 114.43 2ayx h LEU 722 Ca 0.03 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 2ayx h LEU 722 Cb 0.35 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2ayx h LEU 722 CO -0.11 0.56 0.47 1.05 0.09 0.00 0.00 178.44 180.50 2ayx h GLU 723 N -0.03 1.18 -0.08 1.13 -0.00 -0.79 -2.10 114.58 113.90 2ayx h GLU 723 Ca 0.04 -0.13 -0.17 0.00 -0.00 0.00 0.00 59.36 59.10 2ayx h GLU 723 Cb 0.43 -0.24 -0.01 0.00 -0.00 0.00 0.00 28.75 28.94 2ayx h GLU 723 CO 0.01 0.86 -0.69 1.15 -0.00 0.00 0.00 179.01 180.35 2ayx h THR 724 N 1.19 1.39 -0.54 -1.06 2.02 -1.07 -2.09 112.91 112.74 2ayx h THR 724 Ca 0.30 -2.10 -0.02 0.00 0.77 0.00 0.00 66.41 65.36 2ayx h THR 724 Cb 0.02 2.08 -0.03 0.00 -1.74 0.00 0.00 68.15 68.48 2ayx h THR 724 CO -0.05 0.63 0.24 0.28 0.37 0.00 0.00 175.52 176.99 2ayx h SER 725 N 0.24 0.70 0.14 4.18 0.02 -0.94 -1.62 113.55 116.26 2ayx h SER 725 Ca -0.02 -0.07 -0.27 0.00 -0.84 0.00 0.00 61.79 60.59 2ayx h SER 725 Cb 1.24 -0.18 0.03 0.00 0.14 0.00 0.00 62.40 63.63 2ayx h SER 725 CO 0.11 0.61 -1.14 -0.07 -1.14 0.00 0.00 176.83 175.20 2ayx h LEU 726 N 0.77 0.76 0.00 5.07 3.38 -1.30 -3.19 115.31 120.80 2ayx h LEU 726 Ca 0.19 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.30 2ayx h LEU 726 Cb 0.11 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2ayx h LEU 726 CO -0.02 1.55 0.00 0.00 0.09 0.00 0.00 178.44 180.06 2ayx n GLN 727 N -3.89 0.37 0.27 1.13 10.64 -0.80 -2.16 117.38 122.93 2ayx n GLN 727 Ca -0.14 0.07 0.15 0.00 -1.83 0.00 0.00 57.00 55.25 2ayx n GLN 727 Cb 0.94 -1.50 0.73 0.00 -0.86 0.00 0.00 30.24 29.55 2ayx n GLN 727 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2ayx h ARG 728 N 0.00 0.00 0.00 2.61 3.08 -1.28 -3.42 114.38 115.37 2ayx h ARG 728 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2ayx h ARG 728 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2ayx h ARG 728 CO 0.00 0.08 0.00 0.43 -1.07 0.00 0.00 179.97 179.41 2ayx n SER 729 N -3.32 0.00 -1.02 7.04 7.64 -0.92 -5.02 113.62 118.02 2ayx n SER 729 Ca -0.01 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.90 2ayx n SER 729 Cb 0.28 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.50 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 4.84 1.01 3.70 0.23 0.00 -1.23 -5.07 105.19 108.68 2ayx n GLY 730 Ca 0.00 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.16 4.22 -0.08 -0.61 1.01 -1.17 -0.71 121.20 123.69 2ayx s ILE 731 Ca 0.20 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 60.19 2ayx s ILE 731 Cb 0.22 -2.94 0.00 0.00 0.01 0.00 0.00 42.46 39.76 2ayx s ILE 731 CO -0.09 0.28 -0.20 0.54 0.00 0.00 0.00 174.94 175.47 2ayx s VAL 732 N -1.19 1.70 0.02 2.92 0.11 -0.07 -2.94 120.40 120.96 2ayx s VAL 732 Ca 0.23 -0.83 -0.01 0.00 -2.93 0.00 0.00 61.98 58.44 2ayx s VAL 732 Cb -0.12 -1.48 -0.04 0.00 -1.53 0.00 0.00 36.38 33.21 2ayx s VAL 732 CO 0.14 0.48 0.16 -0.69 -3.33 0.00 0.00 175.10 171.86 2ayx s VAL 733 N 0.31 5.19 -0.10 2.04 1.01 -1.26 -0.68 120.40 126.91 2ayx s VAL 733 Ca -0.13 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 2ayx s VAL 733 Cb -0.16 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.80 2ayx s VAL 733 CO 0.06 0.25 0.32 -0.89 0.00 0.00 0.00 175.10 174.84 2ayx s THR 734 N -1.36 0.01 -0.02 3.92 2.01 -0.15 -4.91 115.64 115.14 2ayx s THR 734 Ca 0.29 -0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.91 2ayx s THR 734 Cb -0.13 -0.48 -0.09 0.00 0.01 0.00 0.00 72.50 71.82 2ayx s THR 734 CO 0.21 -0.04 2.02 0.41 -0.69 0.00 0.00 174.62 176.52 2ayx n THR 735 N 2.64 0.68 -2.76 -0.82 -1.04 -1.26 -0.60 114.28 111.12 2ayx n THR 735 Ca -0.14 -0.19 -0.43 0.00 -2.04 0.00 0.00 64.05 61.25 2ayx n THR 735 Cb 0.57 -2.33 -0.03 0.00 -1.82 0.00 0.00 70.33 66.73 2ayx n THR 735 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2ayx s TYR 736 N 5.14 2.83 0.00 -1.42 5.04 -0.44 -4.83 117.35 123.67 2ayx s TYR 736 Ca 0.92 -1.07 0.00 0.00 -2.44 0.00 0.00 57.07 54.47 2ayx s TYR 736 Cb -0.44 -4.46 0.00 0.00 0.35 0.00 0.00 41.96 37.41 2ayx s TYR 736 CO 0.42 -1.70 0.00 -0.85 -1.34 0.00 0.00 175.55 172.08 2ayx n GLU 737 N 7.65 0.00 -1.35 4.97 0.28 -1.26 -4.85 120.64 126.09 2ayx n GLU 737 Ca 0.25 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 56.88 2ayx n GLU 737 Cb 0.50 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.33 2ayx n GLU 737 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2ayx n GLY 738 N 5.00 4.26 3.92 -1.84 0.00 -1.26 -4.89 105.19 110.38 2ayx n GLY 738 Ca 0.00 -1.53 -0.24 0.00 0.00 0.00 0.00 46.02 44.25 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 1.79 2.33 0.13 1.61 1.11 -1.26 -5.11 119.66 120.27 2ayx s GLN 739 Ca 0.68 -1.83 -0.21 0.00 0.01 0.00 0.00 55.36 54.02 2ayx s GLN 739 Cb 0.19 -2.27 -0.07 0.00 -1.01 0.00 0.00 33.01 29.85 2ayx s GLN 739 CO -0.06 -0.55 0.66 -1.21 0.01 0.00 0.00 175.29 174.15 2ayx s GLU 740 N -4.31 4.32 -0.23 2.91 2.02 -1.26 -5.05 118.70 117.11 2ayx s GLU 740 Ca 0.43 0.89 -0.22 0.00 0.02 0.00 0.00 54.97 56.08 2ayx s GLU 740 Cb -0.03 -3.17 -0.02 0.00 0.10 0.00 0.00 34.13 31.01 2ayx s GLU 740 CO 0.26 0.57 0.70 -1.25 0.02 0.00 0.00 175.26 175.56 2ayx s PRO 741 N -1.31 4.18 -0.10 0.39 0.05 -1.26 -5.06 135.00 131.88 2ayx s PRO 741 Ca 0.34 0.72 -0.01 0.00 0.05 0.00 0.00 61.00 62.11 2ayx s PRO 741 Cb -0.20 -3.62 -0.03 0.00 0.05 0.00 0.00 34.50 30.70 2ayx s PRO 741 CO 0.22 -0.38 -0.06 0.99 0.05 0.00 0.00 177.00 177.82 2ayx s THR 742 N 2.38 3.74 -1.04 1.26 2.01 -1.26 -4.90 115.64 117.83 2ayx s THR 742 Ca 0.31 -0.45 0.09 0.00 0.31 0.00 0.00 61.69 61.94 2ayx s THR 742 Cb -0.16 -2.56 0.08 0.00 0.01 0.00 0.00 72.50 69.87 2ayx s THR 742 CO 0.09 0.56 1.26 -0.81 -0.69 0.00 0.00 174.62 175.04 2ayx n PRO 743 N 2.71 0.01 0.00 4.92 -0.04 -1.26 -0.65 135.00 140.68 2ayx n PRO 743 Ca -0.18 0.34 0.11 0.00 -0.04 0.00 0.00 63.50 63.73 2ayx n PRO 743 Cb 0.53 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.56 2ayx n PRO 743 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2ayx n GLU 744 N -1.48 1.87 -4.18 0.54 2.13 -1.26 -2.05 120.64 116.21 2ayx n GLU 744 Ca 0.02 -1.60 -0.29 0.00 0.66 0.00 0.00 57.16 55.95 2ayx n GLU 744 Cb 0.10 -1.42 -0.09 0.00 0.27 0.00 0.00 31.44 30.30 2ayx n GLU 744 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2ayx s ASP 745 N -1.93 4.73 -0.06 4.31 1.01 0.17 -4.77 116.67 120.14 2ayx s ASP 745 Ca 0.23 -0.30 0.05 0.00 0.71 0.00 0.00 52.55 53.24 2ayx s ASP 745 Cb 0.18 -1.02 -0.02 0.00 1.01 0.00 0.00 42.92 43.07 2ayx s ASP 745 CO 0.33 0.16 -0.20 0.54 0.21 0.00 0.00 175.17 176.21 2ayx s VAL 746 N -1.35 2.53 -0.14 -1.27 0.11 -1.26 -0.90 120.40 118.11 2ayx s VAL 746 Ca 0.24 -0.90 -0.08 0.00 -2.93 0.00 0.00 61.98 58.31 2ayx s VAL 746 Cb -0.11 -1.96 -0.04 0.00 -1.53 0.00 0.00 36.38 32.74 2ayx s VAL 746 CO 0.17 0.57 0.13 -0.22 -3.33 0.00 0.00 175.10 172.42 2ayx s LEU 747 N -0.34 4.28 -0.28 2.54 0.20 0.04 -0.78 118.68 124.35 2ayx s LEU 747 Ca 0.02 0.37 0.03 0.00 0.69 0.00 0.00 54.13 55.25 2ayx s LEU 747 Cb -0.12 -2.06 0.07 0.00 -0.43 0.00 0.00 46.19 43.64 2ayx s LEU 747 CO 0.02 0.33 -0.07 -0.63 -0.29 0.00 0.00 176.35 175.72 2ayx s ILE 748 N -0.58 2.18 0.33 6.68 1.01 0.12 -0.47 121.20 130.47 2ayx s ILE 748 Ca 0.12 -1.79 0.07 0.00 0.00 0.00 0.00 60.65 59.05 2ayx s ILE 748 Cb -0.12 -2.36 -0.03 0.00 0.01 0.00 0.00 42.46 39.96 2ayx s ILE 748 CO 0.02 -0.16 0.29 0.42 0.00 0.00 0.00 174.94 175.51 2ayx s THR 749 N 1.06 3.59 -0.07 2.92 -4.23 -0.34 -0.74 115.64 117.84 2ayx s THR 749 Ca -0.04 -1.36 0.02 0.00 -1.18 0.00 0.00 61.69 59.12 2ayx s THR 749 Cb -0.20 -3.20 0.01 0.00 1.34 0.00 0.00 72.50 70.45 2ayx s THR 749 CO -0.06 -0.18 -0.12 1.51 -0.54 0.00 0.00 174.62 175.23 2ayx s ASP 750 N -3.99 1.76 0.33 3.99 1.47 -0.80 -0.74 116.67 118.69 2ayx s ASP 750 Ca 0.41 -0.29 0.00 0.00 1.18 0.00 0.00 52.55 53.84 2ayx s ASP 750 Cb -0.06 -0.81 0.00 0.00 -0.34 0.00 0.00 42.92 41.71 2ayx s ASP 750 CO 0.27 0.02 0.00 1.21 0.68 0.00 0.00 175.17 177.35 2ayx n GLU 751 N 3.90 -1.84 -1.82 2.11 2.13 -0.24 -4.77 120.64 120.12 2ayx n GLU 751 Ca -0.22 1.21 -0.42 0.00 0.66 0.00 0.00 57.16 58.39 2ayx n GLU 751 Cb 0.52 -2.24 -0.02 0.00 0.27 0.00 0.00 31.44 29.96 2ayx n GLU 751 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2ayx s VAL 752 N -1.61 2.22 0.11 6.31 0.11 -0.22 -4.84 120.40 122.48 2ayx s VAL 752 Ca 0.00 0.17 0.06 0.00 -2.93 0.00 0.00 61.98 59.28 2ayx s VAL 752 Cb 0.00 -3.11 -0.04 0.00 -1.53 0.00 0.00 36.38 31.70 2ayx s VAL 752 CO 0.00 0.02 -0.14 0.54 -3.33 0.00 0.00 175.10 172.19 2ayx s VAL 753 N 0.58 1.28 -0.57 2.04 0.11 -1.26 -4.96 120.40 117.62 2ayx s VAL 753 Ca 0.68 -1.64 -0.02 0.00 -2.93 0.00 0.00 61.98 58.07 2ayx s VAL 753 Cb -0.47 -1.45 0.36 0.00 -1.53 0.00 0.00 36.38 33.29 2ayx s VAL 753 CO 0.39 -0.38 2.06 -1.20 -3.33 0.00 0.00 175.10 172.64 2ayx n SER 754 N 0.67 7.29 -3.80 3.54 7.64 -1.26 -4.71 113.62 122.99 2ayx n SER 754 Ca -0.17 -3.56 -0.11 0.00 1.01 0.00 0.00 58.87 56.05 2ayx n SER 754 Cb 0.56 -1.02 -0.08 0.00 -1.01 0.00 0.00 64.21 62.67 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 -3.17 0.73 -0.22 1.43 2.47 -1.26 -5.07 119.74 114.64 2ayx s LYS 755 Ca 0.54 -0.54 0.05 0.00 -1.56 0.00 0.00 55.97 54.46 2ayx s LYS 755 Cb 0.42 0.31 -0.17 0.00 -1.46 0.00 0.00 37.83 36.93 2ayx s LYS 755 CO -0.04 -0.22 -0.14 1.17 0.16 0.00 0.00 175.35 176.28 2ayx n LYS 756 N 0.72 0.69 -1.72 4.03 3.00 -1.26 -4.98 118.16 118.64 2ayx n LYS 756 Ca -0.19 0.10 -0.01 0.00 -0.00 0.00 0.00 58.31 58.21 2ayx n LYS 756 Cb 0.59 -1.46 -0.01 0.00 0.00 0.00 0.00 35.03 34.15 2ayx n LYS 756 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.40 179.27 2ayx n TRP 757 N -3.05 -1.88 -3.34 5.64 -0.00 -1.26 -4.94 117.44 108.61 2ayx n TRP 757 Ca -0.38 1.11 -0.46 0.00 -0.00 0.00 0.00 57.50 57.77 2ayx n TRP 757 Cb 0.97 -2.62 -0.01 0.00 -0.00 0.00 0.00 31.31 29.65 2ayx n TRP 757 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 2ayx s GLN 758 N -1.18 3.93 0.00 5.87 -1.52 -1.26 -4.86 119.66 120.64 2ayx s GLN 758 Ca -0.06 -2.90 0.00 0.00 -1.95 0.00 0.00 55.36 50.45 2ayx s GLN 758 Cb 0.00 -4.49 0.00 0.00 -0.22 0.00 0.00 33.01 28.31 2ayx s GLN 758 CO 0.15 -1.26 0.00 0.41 -0.25 0.00 0.00 175.29 174.34 2ayx n GLY 759 N 3.23 4.99 0.19 3.09 0.00 -1.26 -4.17 105.19 111.26 2ayx n GLY 759 Ca 0.20 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.40 -2.30 1.61 2.43 -0.42 -3.45 114.38 111.86 2ayx h ARG 760 Ca 0.00 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2ayx h ARG 760 Cb 0.00 0.09 -0.16 0.00 -0.42 0.00 0.00 29.97 29.48 2ayx h ARG 760 CO 0.00 -0.14 0.36 0.00 -1.51 0.00 0.00 179.97 178.68 2ayx s ALA 761 N -5.37 -1.77 -0.15 2.80 0.00 -1.23 -4.66 121.76 111.39 2ayx s ALA 761 Ca -0.15 1.03 -0.02 0.00 0.00 0.00 0.00 51.96 52.82 2ayx s ALA 761 Cb 0.03 0.27 0.05 0.00 0.00 0.00 0.00 23.12 23.47 2ayx s ALA 761 CO 0.60 -0.58 0.02 0.54 0.00 0.00 0.00 175.76 176.33 2ayx s VAL 762 N -2.57 0.53 -0.36 0.00 0.11 0.18 -0.78 120.40 117.51 2ayx s VAL 762 Ca -0.00 -0.35 -0.04 0.00 -2.93 0.00 0.00 61.98 58.66 2ayx s VAL 762 Cb -0.01 -0.89 0.07 0.00 -1.53 0.00 0.00 36.38 34.02 2ayx s VAL 762 CO -0.05 -0.03 0.13 -0.69 -3.33 0.00 0.00 175.10 171.14 2ayx s VAL 763 N 1.88 3.48 -0.27 2.04 1.01 0.37 -0.75 120.40 128.15 2ayx s VAL 763 Ca 0.01 -1.55 -0.12 0.00 0.00 0.00 0.00 61.98 60.33 2ayx s VAL 763 Cb -0.15 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 2ayx s VAL 763 CO -0.07 -0.38 0.22 -0.89 0.00 0.00 0.00 175.10 173.98 2ayx s THR 764 N 1.28 5.29 0.04 3.92 2.01 0.04 -1.19 115.64 127.03 2ayx s THR 764 Ca 0.01 0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.95 2ayx s THR 764 Cb -0.21 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 2ayx s THR 764 CO -0.01 0.24 1.10 -0.36 -0.69 0.00 0.00 174.62 174.91 2ayx s PHE 765 N 1.75 3.54 -0.16 4.92 0.08 0.08 -0.94 117.98 127.24 2ayx s PHE 765 Ca 0.08 1.48 -0.06 0.00 0.12 0.00 0.00 56.93 58.56 2ayx s PHE 765 Cb -0.16 -3.29 -0.04 0.00 -0.57 0.00 0.00 43.02 38.97 2ayx s PHE 765 CO 0.10 -0.72 0.03 0.00 -0.10 0.00 0.00 175.22 174.54 2ayx n ARG 767 N 3.31 0.00 0.00 0.00 3.00 -1.26 -2.40 116.66 119.32 2ayx n ARG 767 Ca -0.17 -0.17 0.00 0.00 -0.00 0.00 0.00 57.85 57.51 2ayx n ARG 767 Cb 0.53 0.13 0.00 0.00 0.00 0.00 0.00 32.46 33.11 2ayx n ARG 767 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2ayx n ARG 768 N 0.00 0.00 -4.29 -0.14 3.00 -1.26 -5.07 116.66 108.90 2ayx n ARG 768 Ca -0.05 0.00 -0.31 0.00 -0.01 0.00 0.00 57.85 57.48 2ayx n ARG 768 Cb 0.39 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.75 2ayx n ARG 768 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2ayx s HIS 769 N 1.42 2.86 0.15 -1.55 2.46 -1.26 -5.05 115.29 114.33 2ayx s HIS 769 Ca 0.00 -0.08 0.05 0.00 0.47 0.00 0.00 55.06 55.50 2ayx s HIS 769 Cb 0.00 -1.53 -0.04 0.00 -0.13 0.00 0.00 32.58 30.89 2ayx s HIS 769 CO 0.00 0.42 0.10 0.42 -2.47 0.00 0.00 174.74 173.20 2ayx s ILE 770 N -1.16 4.32 0.00 0.89 1.01 -1.26 -1.05 121.20 123.95 2ayx s ILE 770 Ca 0.21 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 59.75 2ayx s ILE 770 Cb -0.11 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.18 2ayx s ILE 770 CO 0.13 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.61 2ayx n GLY 771 N -0.16 0.18 3.73 6.18 0.00 -1.26 -4.79 105.19 109.06 2ayx n GLY 771 Ca -0.09 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.00 5.04 1.07 -0.61 -1.09 -1.26 -4.99 121.20 118.36 2ayx s ILE 772 Ca 0.00 1.28 -0.15 0.00 -2.23 0.00 0.00 60.65 59.55 2ayx s ILE 772 Cb 0.00 -3.96 0.22 0.00 -1.58 0.00 0.00 42.46 37.14 2ayx s ILE 772 CO 0.00 0.31 1.11 -2.84 -1.23 0.00 0.00 174.94 172.29 2ayx s PRO 773 N 0.50 -0.14 0.00 2.79 0.02 -1.26 -4.90 135.00 132.02 2ayx s PRO 773 Ca 0.33 0.24 0.00 0.00 0.02 0.00 0.00 61.00 61.59 2ayx s PRO 773 Cb -0.17 -1.70 0.00 0.00 0.02 0.00 0.00 34.50 32.65 2ayx s PRO 773 CO 0.16 -3.05 0.00 1.47 -0.33 0.00 0.00 177.00 175.25 2ayx n LEU 774 N -4.35 0.00 -3.78 -5.54 -0.00 -1.26 -4.38 117.00 97.69 2ayx n LEU 774 Ca 0.08 0.00 -0.38 0.00 -0.00 0.00 0.00 56.01 55.71 2ayx n LEU 774 Cb 0.58 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.90 2ayx n LEU 774 CO 0.53 0.00 1.50 -0.62 -0.00 0.00 0.00 177.39 178.80 2ayx n GLU 775 N 0.00 0.34 0.15 1.47 4.71 -0.36 -4.37 120.64 122.59 2ayx n GLU 775 Ca 0.00 -1.35 0.09 0.00 -0.01 0.00 0.00 57.16 55.89 2ayx n GLU 775 Cb 0.00 -2.91 0.06 0.00 -1.01 0.00 0.00 31.44 27.58 2ayx n GLU 775 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 2ayx h LYS 776 N 9.97 0.00 -3.87 3.49 1.57 -1.89 -3.47 116.57 122.36 2ayx h LYS 776 Ca 0.24 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.89 2ayx h LYS 776 Cb 0.76 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.90 2ayx h LYS 776 CO 1.79 0.11 -0.55 0.00 -0.57 0.00 0.00 179.45 180.24 2ayx s ALA 777 N -3.19 0.02 -1.00 3.86 0.00 -1.26 -5.06 121.76 115.13 2ayx s ALA 777 Ca 0.03 -0.64 -0.25 0.00 0.00 0.00 0.00 51.96 51.09 2ayx s ALA 777 Cb 0.07 0.25 -0.18 0.00 0.00 0.00 0.00 23.12 23.27 2ayx s ALA 777 CO 0.74 -0.32 1.97 -2.30 0.00 0.00 0.00 175.76 175.85 2ayx n PRO 778 N 0.71 0.87 0.00 0.00 -0.02 -1.26 -1.95 135.00 133.36 2ayx n PRO 778 Ca -0.19 -1.99 0.00 0.00 -2.02 0.00 0.00 63.50 59.31 2ayx n PRO 778 Cb 0.59 -3.62 0.00 0.00 -0.02 0.00 0.00 33.50 30.44 2ayx n PRO 778 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ayx n GLY 779 N 5.72 0.34 3.65 -1.23 0.00 -1.26 -4.96 105.19 107.45 2ayx n GLY 779 Ca 0.44 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 4.17 -0.00 1.61 2.02 -0.82 -0.64 118.70 125.04 2ayx s GLU 780 Ca 0.00 0.62 0.00 0.00 0.02 0.00 0.00 54.97 55.61 2ayx s GLU 780 Cb 0.00 -3.61 0.00 0.00 0.10 0.00 0.00 34.13 30.62 2ayx s GLU 780 CO 0.00 -0.32 -0.01 -1.58 0.02 0.00 0.00 175.26 173.37 2ayx s TRP 781 N 2.19 0.08 0.04 1.61 0.52 0.07 -1.22 118.94 122.24 2ayx s TRP 781 Ca 0.28 -0.00 0.01 0.00 0.02 0.00 0.00 56.10 56.41 2ayx s TRP 781 Cb -0.16 -0.07 -0.03 0.00 -1.15 0.00 0.00 33.47 32.06 2ayx s TRP 781 CO 0.09 -0.01 -0.05 0.14 0.02 0.00 0.00 176.95 177.15 2ayx s VAL 782 N 0.09 0.33 -0.25 4.03 -7.23 -1.26 -0.78 120.40 115.33 2ayx s VAL 782 Ca -0.01 -1.29 -0.09 0.00 -1.81 0.00 0.00 61.98 58.79 2ayx s VAL 782 Cb -0.02 -0.82 0.11 0.00 0.56 0.00 0.00 36.38 36.21 2ayx s VAL 782 CO -0.00 -0.63 0.53 -2.28 -0.31 0.00 0.00 175.10 172.41 2ayx s HIS 783 N -2.26 -1.04 -0.67 2.82 2.46 -0.12 -4.89 115.29 111.58 2ayx s HIS 783 Ca -0.06 1.90 -0.25 0.00 0.47 0.00 0.00 55.06 57.13 2ayx s HIS 783 Cb -0.04 0.54 0.05 0.00 -0.13 0.00 0.00 32.58 33.00 2ayx s HIS 783 CO -0.03 -0.56 1.08 -1.12 -2.47 0.00 0.00 174.74 171.64 2ayx s SER 784 N 2.66 6.20 0.30 9.88 0.01 -1.26 -0.93 113.70 130.56 2ayx s SER 784 Ca -0.04 -0.69 -0.14 0.00 1.31 0.00 0.00 55.95 56.39 2ayx s SER 784 Cb -0.12 -2.48 0.05 0.00 0.21 0.00 0.00 66.02 63.69 2ayx s SER 784 CO -0.16 -1.56 0.73 1.33 0.41 0.00 0.00 173.24 173.99 2ayx n VAL 785 N 6.14 0.00 -1.55 3.43 0.24 -1.01 -4.89 118.33 120.70 2ayx n VAL 785 Ca -0.00 -0.77 -0.08 0.00 -2.04 0.00 0.00 64.34 61.45 2ayx n VAL 785 Cb 0.47 0.81 0.17 0.00 -1.47 0.00 0.00 33.84 33.82 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 -0.95 4.49 -3.01 2.33 0.00 -1.26 -4.65 120.51 117.45 2ayx n ALA 786 Ca -0.14 -3.28 -0.03 0.00 0.00 0.00 0.00 53.44 49.99 2ayx n ALA 786 Cb 0.51 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.26 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 -1.06 -2.67 0.04 0.00 0.00 -1.26 -4.89 120.51 110.67 2ayx n ALA 787 Ca 0.35 0.37 -0.02 0.00 0.00 0.00 0.00 53.44 54.14 2ayx n ALA 787 Cb 0.97 -2.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.20 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 0.94 -0.11 0.00 0.00 0.11 -2.01 -3.48 132.00 127.45 2ayx h PRO 788 Ca -0.02 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2ayx h PRO 788 Cb 1.01 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2ayx h PRO 788 CO 0.27 -0.08 0.00 -2.39 -0.21 0.00 0.00 178.00 175.59 2ayx n HIS 789 N -2.66 0.00 -0.13 0.65 1.44 -1.26 -5.03 115.22 108.23 2ayx n HIS 789 Ca -0.01 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.48 2ayx n HIS 789 Cb 0.05 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.05 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 0.59 -0.05 -1.40 -0.00 -1.26 -4.02 120.64 114.50 2ayx n GLU 790 Ca 0.00 0.18 -0.12 0.00 -0.00 0.00 0.00 57.16 57.22 2ayx n GLU 790 Cb 0.00 -1.46 -0.06 0.00 -0.00 0.00 0.00 31.44 29.91 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 -0.36 0.27 -1.64 -1.84 6.46 -1.97 -1.05 115.31 115.18 2ayx h LEU 791 Ca -0.59 -0.33 0.07 0.00 -0.12 0.00 0.00 57.88 56.91 2ayx h LEU 791 Cb 1.74 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 41.57 2ayx h LEU 791 CO -0.21 0.54 0.36 -0.65 -0.62 0.00 0.00 178.44 177.86 2ayx h PRO 792 N -0.00 0.42 -0.38 5.25 0.11 -1.97 0.11 132.00 135.53 2ayx h PRO 792 Ca 0.04 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.01 2ayx h PRO 792 Cb 0.41 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 2ayx h PRO 792 CO 0.01 0.28 -0.21 0.00 -0.21 0.00 0.00 178.00 177.86 2ayx h ALA 793 N 1.71 0.54 0.00 -0.75 0.00 -1.64 -2.65 119.26 116.47 2ayx h ALA 793 Ca 0.24 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 2ayx h ALA 793 Cb 0.40 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2ayx h ALA 793 CO -0.06 0.51 -0.40 1.25 0.00 0.00 0.00 179.25 180.54 2ayx h LEU 794 N 0.62 0.00 -0.73 0.00 6.46 -0.17 -2.06 115.31 119.44 2ayx h LEU 794 Ca 0.08 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.79 2ayx h LEU 794 Cb 0.77 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.67 2ayx h LEU 794 CO 0.06 0.40 0.24 -0.07 -0.62 0.00 0.00 178.44 178.45 2ayx h LEU 795 N 0.00 1.05 -0.82 2.25 -0.00 -0.60 0.14 115.31 117.33 2ayx h LEU 795 Ca -0.00 -0.20 -0.11 0.00 -0.00 0.00 0.00 57.88 57.56 2ayx h LEU 795 Cb 0.79 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 2ayx h LEU 795 CO 0.05 0.97 -0.36 0.00 -0.00 0.00 0.00 178.44 179.10 2ayx h ALA 796 N 1.12 0.99 -0.05 1.53 0.00 -1.14 -0.24 119.26 121.46 2ayx h ALA 796 Ca 0.24 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2ayx h ALA 796 Cb 0.29 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2ayx h ALA 796 CO -0.01 0.61 -0.02 -0.09 0.00 0.00 0.00 179.25 179.74 2ayx h ARG 797 N 0.39 0.10 -0.07 0.00 2.43 -0.87 -2.43 114.38 113.93 2ayx h ARG 797 Ca 0.04 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 2ayx h ARG 797 Cb 0.81 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 2ayx h ARG 797 CO 0.07 0.46 -0.27 0.82 -1.51 0.00 0.00 179.97 179.54 2ayx h ILE 798 N -0.27 1.22 -0.38 1.20 2.04 -0.72 -2.38 117.51 118.22 2ayx h ILE 798 Ca 0.01 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 2ayx h ILE 798 Cb 0.43 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 2ayx h ILE 798 CO 0.01 0.31 0.13 0.22 0.00 0.00 0.00 178.15 178.82 2ayx h TYR 799 N 0.12 0.55 -5.43 1.37 3.20 -0.89 -3.48 116.97 112.40 2ayx h TYR 799 Ca 0.02 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 2ayx h TYR 799 Cb 0.54 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.64 2ayx h TYR 799 CO 0.00 0.45 -0.30 1.28 -1.64 0.00 0.00 178.16 177.95 2ayx n LEU 800 N -4.37 -6.94 -0.12 2.82 4.77 -0.90 -4.91 117.00 107.36 2ayx n LEU 800 Ca 0.02 0.15 -0.01 0.00 -0.03 0.00 0.00 56.01 56.14 2ayx n LEU 800 Cb 0.16 -3.23 0.24 0.00 -2.33 0.00 0.00 43.42 38.26 2ayx n LEU 800 CO 0.37 -1.56 1.04 0.40 -1.33 0.00 0.00 177.39 176.31 2ayx h ILE 801 N 1.14 1.20 -5.57 -0.08 2.04 -1.86 -3.47 117.51 110.92 2ayx h ILE 801 Ca -0.05 -0.67 -0.35 0.00 1.00 0.00 0.00 64.86 64.80 2ayx h ILE 801 Cb 1.03 0.58 0.15 0.00 -0.74 0.00 0.00 36.82 37.84 2ayx h ILE 801 CO 0.26 0.26 -0.70 -0.62 0.00 0.00 0.00 178.15 177.35 2ayx n GLU 802 N -4.32 -7.01 -3.86 2.37 -0.58 -1.26 -4.81 120.64 101.17 2ayx n GLU 802 Ca 0.04 0.81 -0.12 0.00 -0.42 0.00 0.00 57.16 57.47 2ayx n GLU 802 Cb 0.18 -5.74 -0.14 0.00 -0.57 0.00 0.00 31.44 25.17 2ayx n GLU 802 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 2ayx s MET 803 N -5.78 0.00 0.00 3.49 -1.94 -1.26 -5.09 119.30 108.73 2ayx s MET 803 Ca 0.28 0.02 0.00 0.00 -1.71 0.00 0.00 55.69 54.28 2ayx s MET 803 Cb -0.12 -0.02 0.00 0.00 2.01 0.00 0.00 34.83 36.70 2ayx s MET 803 CO 0.70 -0.01 0.00 -0.85 -0.01 0.00 0.00 175.02 174.85 2ayx n GLU 804 N 3.17 0.00 -3.81 2.03 0.28 -1.26 -2.67 120.64 118.38 2ayx n GLU 804 Ca -0.13 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.82 2ayx n GLU 804 Cb 0.59 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.46 2ayx n GLU 804 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2ayx s SER 805 N -1.00 -0.14 -0.17 -1.84 1.04 -1.26 -0.37 113.70 109.96 2ayx s SER 805 Ca 0.00 -0.59 -0.01 0.00 0.48 0.00 0.00 55.95 55.83 2ayx s SER 805 Cb 0.00 0.58 0.04 0.00 0.10 0.00 0.00 66.02 66.75 2ayx s SER 805 CO 0.00 -1.11 -0.04 -0.62 0.98 0.00 0.00 173.24 172.46 2ayx s ASP 806 N -3.04 2.80 -0.28 7.02 2.15 -1.26 -5.06 116.67 119.00 2ayx s ASP 806 Ca 0.14 -0.67 -0.03 0.00 0.43 0.00 0.00 52.55 52.42 2ayx s ASP 806 Cb -0.03 -0.85 0.10 0.00 -0.30 0.00 0.00 42.92 41.84 2ayx s ASP 806 CO 0.05 -0.20 0.11 -0.62 -0.17 0.00 0.00 175.17 174.34 2ayx s ASP 807 N 1.68 3.60 -0.02 -0.34 2.15 -1.26 -5.01 116.67 117.47 2ayx s ASP 807 Ca 0.00 -1.34 -0.00 0.00 0.43 0.00 0.00 52.55 51.64 2ayx s ASP 807 Cb -0.15 -0.53 0.01 0.00 -0.30 0.00 0.00 42.92 41.94 2ayx s ASP 807 CO -0.07 -0.42 1.92 -2.65 -0.17 0.00 0.00 175.17 173.78 2ayx n PRO 808 N 5.10 1.04 -2.39 4.34 -0.02 -1.26 -4.85 135.00 136.96 2ayx n PRO 808 Ca -0.05 -0.08 -0.37 0.00 -2.02 0.00 0.00 63.50 60.98 2ayx n PRO 808 Cb 0.43 -1.03 -0.03 0.00 -0.02 0.00 0.00 33.50 32.84 2ayx n PRO 808 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ayx s ALA 809 N -0.09 2.42 -0.18 3.55 0.00 -1.26 -4.89 121.76 121.32 2ayx s ALA 809 Ca 0.02 -1.81 -0.28 0.00 0.00 0.00 0.00 51.96 49.89 2ayx s ALA 809 Cb 0.01 -4.47 0.08 0.00 0.00 0.00 0.00 23.12 18.74 2ayx s ALA 809 CO -0.00 -3.87 0.76 1.21 0.00 0.00 0.00 175.76 173.86 2ayx s ASN 810 N 5.75 -0.65 0.25 0.00 3.84 -1.26 -5.19 114.94 117.68 2ayx s ASN 810 Ca 0.52 1.02 -0.13 0.00 0.21 0.00 0.00 52.86 54.47 2ayx s ASN 810 Cb -0.04 0.95 -0.00 0.00 -0.55 0.00 0.00 41.25 41.61 2ayx s ASN 810 CO -0.01 -0.39 0.49 0.00 -2.79 0.00 0.00 177.10 174.40 2ayx s ALA 811 N -0.37 -0.29 -0.16 1.71 0.00 -1.26 -5.17 121.76 116.22 2ayx s ALA 811 Ca -0.04 -0.85 -0.09 0.00 0.00 0.00 0.00 51.96 50.98 2ayx s ALA 811 Cb -0.03 1.06 0.05 0.00 0.00 0.00 0.00 23.12 24.20 2ayx s ALA 811 CO 0.04 -0.86 0.38 -1.17 0.00 0.00 0.00 175.76 174.14 2ayx s LEU 812 N -3.01 0.07 0.70 0.00 0.20 -1.26 -5.17 118.68 110.20 2ayx s LEU 812 Ca 0.22 0.81 -0.11 0.00 0.69 0.00 0.00 54.13 55.74 2ayx s LEU 812 Cb -0.01 1.23 0.01 0.00 -0.43 0.00 0.00 46.19 46.99 2ayx s LEU 812 CO 0.09 -0.18 1.09 -2.16 -0.29 0.00 0.00 176.35 174.90 2ayx s PRO 813 N 1.25 2.92 -0.10 0.98 0.04 -1.26 -5.09 135.00 133.74 2ayx s PRO 813 Ca -0.08 0.48 0.02 0.00 0.04 0.00 0.00 61.00 61.45 2ayx s PRO 813 Cb -0.08 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 2ayx s PRO 813 CO -0.11 -0.99 -0.16 -1.54 0.04 0.00 0.00 177.00 174.24 2ayx s SER 814 N -4.35 3.82 -0.14 6.66 1.04 -1.26 -5.12 113.70 114.35 2ayx s SER 814 Ca 0.58 -0.34 -0.08 0.00 0.48 0.00 0.00 55.95 56.59 2ayx s SER 814 Cb -0.11 -1.33 0.05 0.00 0.10 0.00 0.00 66.02 64.74 2ayx s SER 814 CO 0.52 0.22 0.34 -0.89 0.98 0.00 0.00 173.24 174.40 2ayx s THR 815 N 0.04 -0.04 -0.16 2.02 2.01 -1.26 -5.15 115.64 113.11 2ayx s THR 815 Ca -0.06 0.12 -0.07 0.00 0.31 0.00 0.00 61.69 61.99 2ayx s THR 815 Cb -0.15 -0.51 0.06 0.00 0.01 0.00 0.00 72.50 71.91 2ayx s THR 815 CO 0.05 0.05 0.36 -0.62 -0.69 0.00 0.00 174.62 173.76 2ayx s ASP 816 N 1.36 -0.30 0.06 3.53 2.15 -1.26 -5.16 116.67 117.04 2ayx s ASP 816 Ca -0.09 0.80 -0.07 0.00 0.43 0.00 0.00 52.55 53.61 2ayx s ASP 816 Cb -0.09 0.79 -0.01 0.00 -0.30 0.00 0.00 42.92 43.32 2ayx s ASP 816 CO -0.11 -0.20 0.14 -0.54 -0.17 0.00 0.00 175.17 174.29 2ayx s LYS 817 N 1.73 0.70 -0.30 4.34 3.01 -1.26 -5.16 119.74 122.80 2ayx s LYS 817 Ca -0.07 -0.83 -0.08 0.00 -1.01 0.00 0.00 55.97 53.98 2ayx s LYS 817 Cb -0.10 0.28 0.15 0.00 -1.01 0.00 0.00 37.83 37.15 2ayx s LYS 817 CO -0.11 -0.20 0.66 0.00 0.51 0.00 0.00 175.35 176.21 2ayx s ALA 818 N -3.14 -2.14 -0.27 5.17 0.00 -1.26 -5.13 121.76 114.99 2ayx s ALA 818 Ca -0.01 2.21 -0.19 0.00 0.00 0.00 0.00 51.96 53.98 2ayx s ALA 818 Cb 0.02 -1.89 -0.02 0.00 0.00 0.00 0.00 23.12 21.23 2ayx s ALA 818 CO -0.07 -1.03 0.55 0.08 0.00 0.00 0.00 175.76 175.29 2ayx s VAL 819 N 2.87 5.03 -0.34 0.00 1.01 -1.26 -5.04 120.40 122.67 2ayx s VAL 819 Ca 0.00 0.88 0.01 0.00 0.00 0.00 0.00 61.98 62.87 2ayx s VAL 819 Cb -0.12 -3.89 0.09 0.00 0.00 0.00 0.00 36.38 32.46 2ayx s VAL 819 CO -0.19 0.01 0.06 -0.44 0.00 0.00 0.00 175.10 174.54 2ayx s SER 820 N 1.57 4.87 -0.23 3.32 0.01 -1.26 -5.04 113.70 116.94 2ayx s SER 820 Ca 0.22 -1.85 -0.04 0.00 1.31 0.00 0.00 55.95 55.60 2ayx s SER 820 Cb -0.15 -1.69 0.12 0.00 0.21 0.00 0.00 66.02 64.51 2ayx s SER 820 CO 0.10 -0.37 0.40 -0.62 0.41 0.00 0.00 173.24 173.15 2ayx s ASP 821 N 1.25 0.04 0.00 2.44 2.15 -1.26 -5.13 116.67 116.16 2ayx s ASP 821 Ca 0.04 0.46 0.00 0.00 0.43 0.00 0.00 52.55 53.49 2ayx s ASP 821 Cb -0.20 1.22 0.00 0.00 -0.30 0.00 0.00 42.92 43.63 2ayx s ASP 821 CO -0.05 -0.28 0.00 -3.20 -0.17 0.00 0.00 175.17 171.47 2ayx n ASN 822 N 5.37 0.00 -3.57 -0.34 2.85 -1.26 -5.14 115.26 113.17 2ayx n ASN 822 Ca -0.05 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.35 2ayx n ASN 822 Cb 0.50 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.50 2ayx n ASN 822 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2ayx s ASP 823 N -1.00 -0.31 -0.31 1.20 -1.08 -1.26 -5.07 116.67 108.84 2ayx s ASP 823 Ca 0.00 -0.11 0.18 0.00 -0.52 0.00 0.00 52.55 52.11 2ayx s ASP 823 Cb 0.00 0.40 0.47 0.00 -1.46 0.00 0.00 42.92 42.33 2ayx s ASP 823 CO 0.00 -0.68 1.01 -0.67 0.52 0.00 0.00 175.17 175.35 2ayx n ASP 824 N -0.30 1.75 -4.66 -0.34 -0.08 -1.26 -4.93 116.55 106.72 2ayx n ASP 824 Ca -0.08 -2.62 -0.43 0.00 -1.51 0.00 0.00 54.79 50.15 2ayx n ASP 824 Cb 0.61 -0.51 -0.02 0.00 2.34 0.00 0.00 41.12 43.54 2ayx n ASP 824 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 2ayx s MET 825 N -3.33 4.25 -0.25 -0.67 -1.94 -1.26 -4.89 119.30 111.21 2ayx s MET 825 Ca 0.29 1.59 -0.16 0.00 -1.71 0.00 0.00 55.69 55.70 2ayx s MET 825 Cb 0.42 -3.72 -0.03 0.00 2.01 0.00 0.00 34.83 33.51 2ayx s MET 825 CO 0.01 -0.67 0.44 1.41 -0.01 0.00 0.00 175.02 176.20 2ayx s MET 826 N 3.32 4.08 -0.13 2.03 1.75 -1.26 -2.05 119.30 127.04 2ayx s MET 826 Ca 0.52 0.19 -0.01 0.00 -1.25 0.00 0.00 55.69 55.15 2ayx s MET 826 Cb -0.20 -3.62 -0.02 0.00 2.84 0.00 0.00 34.83 33.82 2ayx s MET 826 CO 0.13 -0.25 -0.11 0.42 -0.65 0.00 0.00 175.02 174.57 2ayx s ILE 827 N 1.97 3.25 -0.36 10.11 -1.09 0.30 -2.35 121.20 133.04 2ayx s ILE 827 Ca 0.18 -0.59 -0.17 0.00 -2.23 0.00 0.00 60.65 57.84 2ayx s ILE 827 Cb -0.15 -2.37 -0.00 0.00 -1.58 0.00 0.00 42.46 38.35 2ayx s ILE 827 CO 0.09 0.52 0.45 -0.22 -1.23 0.00 0.00 174.94 174.56 2ayx s LEU 828 N 0.27 4.44 -0.42 2.97 2.96 -0.18 -1.11 118.68 127.61 2ayx s LEU 828 Ca -0.08 -0.18 -0.12 0.00 -0.22 0.00 0.00 54.13 53.53 2ayx s LEU 828 Cb -0.15 -2.48 0.05 0.00 0.50 0.00 0.00 46.19 44.11 2ayx s LEU 828 CO 0.05 -0.45 0.29 0.68 -1.32 0.00 0.00 176.35 175.60 2ayx s VAL 829 N 2.24 4.78 -0.15 1.68 -7.23 0.04 -1.96 120.40 119.80 2ayx s VAL 829 Ca 0.16 -1.03 -0.03 0.00 -1.81 0.00 0.00 61.98 59.26 2ayx s VAL 829 Cb -0.16 -3.79 -0.03 0.00 0.56 0.00 0.00 36.38 32.97 2ayx s VAL 829 CO 0.13 -0.42 -0.04 -0.69 -0.31 0.00 0.00 175.10 173.77 2ayx s VAL 830 N 1.56 3.87 0.02 1.32 1.01 -0.84 -2.29 120.40 125.07 2ayx s VAL 830 Ca 0.03 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.66 2ayx s VAL 830 Cb -0.22 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 2ayx s VAL 830 CO 0.06 0.50 -0.07 -0.62 0.00 0.00 0.00 175.10 174.98 2ayx s ASP 831 N 0.25 0.76 0.43 3.32 -1.08 -1.01 -0.59 116.67 118.75 2ayx s ASP 831 Ca -0.03 -0.37 0.29 0.00 -0.52 0.00 0.00 52.55 51.92 2ayx s ASP 831 Cb -0.14 -0.01 1.13 0.00 -1.46 0.00 0.00 42.92 42.44 2ayx s ASP 831 CO 0.03 -0.10 1.85 -2.24 0.52 0.00 0.00 175.17 175.24 2ayx h ASP 832 N 5.10 0.00 -3.45 -0.34 2.03 -1.56 -3.39 116.42 114.81 2ayx h ASP 832 Ca -0.33 0.00 -0.71 0.00 -0.73 0.00 0.00 57.03 55.26 2ayx h ASP 832 Cb 1.20 0.00 -0.30 0.00 -0.83 0.00 0.00 39.33 39.40 2ayx h ASP 832 CO 0.44 0.00 -0.48 -1.00 -1.03 0.00 0.00 179.24 177.17 2ayx s HIS 833 N -3.48 3.39 0.13 4.15 3.76 -1.26 -5.01 115.29 116.97 2ayx s HIS 833 Ca 0.03 -1.76 -0.19 0.00 -0.15 0.00 0.00 55.06 52.99 2ayx s HIS 833 Cb 0.09 -3.06 -0.01 0.00 1.11 0.00 0.00 32.58 30.71 2ayx s HIS 833 CO 0.51 -0.89 1.74 -1.35 -0.85 0.00 0.00 174.74 173.89 2ayx h PRO 834 N 8.33 0.13 -0.43 8.40 0.11 -1.95 -0.93 132.00 145.66 2ayx h PRO 834 Ca -0.21 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.84 2ayx h PRO 834 Cb 1.07 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 2ayx h PRO 834 CO 0.75 0.09 0.05 0.82 -0.21 0.00 0.00 178.00 179.50 2ayx h ILE 835 N 0.14 1.21 -0.08 4.15 1.08 -1.96 -0.50 117.51 121.55 2ayx h ILE 835 Ca 0.11 -0.81 -0.00 0.00 -0.39 0.00 0.00 64.86 63.77 2ayx h ILE 835 Cb 0.10 0.83 -0.00 0.00 -3.07 0.00 0.00 36.82 34.68 2ayx h ILE 835 CO -0.14 0.29 0.04 0.78 -0.69 0.00 0.00 178.15 178.43 2ayx h ASN 836 N 0.63 0.11 -0.30 1.72 4.21 -1.85 -2.28 115.58 117.82 2ayx h ASN 836 Ca 0.14 -0.12 0.00 0.00 1.21 0.00 0.00 56.30 57.52 2ayx h ASN 836 Cb 0.32 -0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.48 2ayx h ASN 836 CO 0.01 0.20 0.19 -0.09 -1.29 0.00 0.00 177.43 176.45 2ayx h ARG 837 N 0.01 0.40 -0.09 0.81 9.65 -0.62 -2.20 114.38 122.33 2ayx h ARG 837 Ca 0.03 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 2ayx h ARG 837 Cb 0.12 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.61 2ayx h ARG 837 CO -0.00 0.28 -0.14 0.07 2.80 0.00 0.00 179.97 182.97 2ayx h ARG 838 N 0.40 0.13 0.02 0.20 -0.00 -1.03 0.65 114.38 114.74 2ayx h ARG 838 Ca 0.11 -0.03 -0.07 0.00 -0.00 0.00 0.00 59.98 59.99 2ayx h ARG 838 Cb -0.03 -0.02 0.01 0.00 -0.00 0.00 0.00 29.97 29.93 2ayx h ARG 838 CO -0.02 0.28 -0.30 1.25 -0.00 0.00 0.00 179.97 181.18 2ayx h LEU 839 N 0.13 0.23 -0.79 0.08 7.12 -1.03 -2.02 115.31 119.03 2ayx h LEU 839 Ca 0.03 -0.83 -0.09 0.00 0.13 0.00 0.00 57.88 57.13 2ayx h LEU 839 Cb 0.33 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.38 2ayx h LEU 839 CO 0.02 1.03 -0.41 0.17 -0.13 0.00 0.00 178.44 179.12 2ayx h LEU 840 N -0.54 0.00 -1.26 2.25 8.10 -1.32 -2.11 115.31 120.43 2ayx h LEU 840 Ca -0.04 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 57.87 2ayx h LEU 840 Cb 1.09 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.30 2ayx h LEU 840 CO 0.06 0.41 -0.37 0.00 -4.11 0.00 0.00 178.44 174.43 2ayx h ALA 841 N 1.59 1.36 -0.48 0.17 0.00 -0.90 0.11 119.26 121.11 2ayx h ALA 841 Ca -0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 2ayx h ALA 841 Cb 0.98 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2ayx h ALA 841 CO 0.05 0.46 0.12 0.22 0.00 0.00 0.00 179.25 180.10 2ayx h ASP 842 N 0.00 0.73 -0.82 0.00 3.58 -0.69 -0.20 116.42 119.02 2ayx h ASP 842 Ca -0.00 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.20 2ayx h ASP 842 Cb 0.66 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 41.48 2ayx h ASP 842 CO 0.05 0.77 0.47 1.56 -2.88 0.00 0.00 179.24 179.21 2ayx h GLN 843 N 0.65 1.12 -0.57 0.28 1.08 -1.10 -0.18 115.11 116.40 2ayx h GLN 843 Ca 0.15 -0.12 0.03 0.00 -1.45 0.00 0.00 58.65 57.27 2ayx h GLN 843 Cb 0.33 -0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 27.50 2ayx h GLN 843 CO 0.00 0.81 0.38 -0.07 -0.95 0.00 0.00 178.83 179.00 2ayx h LEU 844 N 1.13 0.57 -0.57 1.46 4.07 -0.63 -1.32 115.31 120.02 2ayx h LEU 844 Ca 0.29 -0.01 -0.15 0.00 0.08 0.00 0.00 57.88 58.09 2ayx h LEU 844 Cb -0.01 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 2ayx h LEU 844 CO -0.05 0.40 -0.55 1.23 -1.08 0.00 0.00 178.44 178.38 2ayx h GLY 845 N 0.67 0.51 2.00 0.83 0.00 0.18 -2.58 103.07 104.67 2ayx h GLY 845 Ca 0.23 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2ayx h GLY 845 CO -0.06 0.53 0.00 1.76 0.00 0.00 0.00 176.54 178.77 2ayx h SER 846 N 0.36 0.00 1.23 0.19 0.02 -0.03 -1.20 113.55 114.12 2ayx h SER 846 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2ayx h SER 846 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2ayx h SER 846 CO 0.10 0.00 -0.01 0.18 -1.14 0.00 0.00 176.83 175.96 2ayx n LEU 847 N -2.57 0.42 0.00 5.07 4.77 -0.61 -4.91 117.00 119.16 2ayx n LEU 847 Ca 0.01 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 2ayx n LEU 847 Cb 0.25 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2ayx n LEU 847 CO 0.22 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 2ayx n GLY 848 N 1.40 0.77 3.73 -0.72 0.00 -0.45 -5.08 105.19 104.84 2ayx n GLY 848 Ca 0.06 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 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 2.77 -0.45 1.61 1.51 -1.12 -4.85 117.35 114.82 2ayx s TYR 849 Ca 0.00 -0.31 -0.17 0.00 -1.01 0.00 0.00 57.07 55.58 2ayx s TYR 849 Cb 0.00 -1.52 0.04 0.00 -0.11 0.00 0.00 41.96 40.37 2ayx s TYR 849 CO 0.00 0.41 0.47 -0.65 -1.11 0.00 0.00 175.55 174.68 2ayx s GLN 850 N -3.82 3.08 -0.14 -0.62 -0.21 -0.87 -4.26 119.66 112.82 2ayx s GLN 850 Ca 0.36 -0.91 -0.10 0.00 0.02 0.00 0.00 55.36 54.74 2ayx s GLN 850 Cb -0.04 -4.03 -0.05 0.00 1.00 0.00 0.00 33.01 29.89 2ayx s GLN 850 CO 0.23 -0.97 0.19 0.00 -2.12 0.00 0.00 175.29 172.61 2ayx s LYS 852 N -0.43 3.28 -0.12 0.00 3.01 -0.27 -4.95 119.74 120.26 2ayx s LYS 852 Ca 0.14 -0.74 -0.15 0.00 -1.01 0.00 0.00 55.97 54.22 2ayx s LYS 852 Cb -0.12 -2.59 -0.05 0.00 -1.01 0.00 0.00 37.83 34.06 2ayx s LYS 852 CO 0.03 0.13 0.36 0.99 0.51 0.00 0.00 175.35 177.36 2ayx s THR 853 N 0.55 5.24 0.04 2.17 2.01 -1.26 -0.78 115.64 123.61 2ayx s THR 853 Ca -0.10 0.69 -0.01 0.00 0.31 0.00 0.00 61.69 62.59 2ayx s THR 853 Cb -0.16 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 2ayx s THR 853 CO 0.04 0.41 -0.03 0.00 -0.69 0.00 0.00 174.62 174.35 2ayx s ALA 854 N 0.23 0.39 -0.42 7.40 0.00 -0.97 -4.98 121.76 123.41 2ayx s ALA 854 Ca 0.20 -1.02 0.07 0.00 0.00 0.00 0.00 51.96 51.21 2ayx s ALA 854 Cb -0.14 0.23 0.23 0.00 0.00 0.00 0.00 23.12 23.45 2ayx s ALA 854 CO 0.07 -0.31 0.60 0.27 0.00 0.00 0.00 175.76 176.40 2ayx n ASN 855 N 0.56 -0.87 0.00 0.00 2.04 -1.26 -2.41 115.26 113.32 2ayx n ASN 855 Ca -0.17 -2.82 0.00 0.00 -0.44 0.00 0.00 54.58 51.15 2ayx n ASN 855 Cb 0.59 0.12 0.00 0.00 -2.53 0.00 0.00 39.78 37.96 2ayx n ASN 855 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 2ayx n ASP 856 N 1.73 0.00 0.09 0.53 -0.08 -1.26 -4.86 116.55 112.70 2ayx n ASP 856 Ca 0.19 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.25 2ayx n ASP 856 Cb 0.55 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.86 2ayx n ASP 856 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2ayx h GLY 857 N 0.00 0.47 1.87 0.27 0.00 -1.98 -2.87 103.07 100.83 2ayx h GLY 857 Ca 0.00 -1.19 -0.15 0.00 0.00 0.00 0.00 47.33 45.99 2ayx h GLY 857 CO 0.00 1.04 -0.69 -0.39 0.00 0.00 0.00 176.54 176.50 2ayx h VAL 858 N 0.11 1.45 -0.08 4.60 -1.51 -1.95 -2.51 116.25 116.36 2ayx h VAL 858 Ca -0.31 -2.25 -0.01 0.00 -1.23 0.00 0.00 66.70 62.90 2ayx h VAL 858 Cb 2.10 2.20 -0.00 0.00 -2.13 0.00 0.00 31.29 33.46 2ayx h VAL 858 CO 0.20 0.65 0.01 -0.78 -1.23 0.00 0.00 177.57 176.42 2ayx h ASP 859 N 0.09 0.14 -0.64 4.19 3.58 -1.89 0.08 116.42 121.96 2ayx h ASP 859 Ca -0.01 -0.28 -0.03 0.00 0.42 0.00 0.00 57.03 57.13 2ayx h ASP 859 Cb 1.22 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 42.21 2ayx h ASP 859 CO 0.10 0.38 0.29 0.00 -2.88 0.00 0.00 179.24 177.13 2ayx h ALA 860 N 0.76 0.82 -0.35 -0.78 0.00 -1.51 -2.36 119.26 115.85 2ayx h ALA 860 Ca 0.02 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 2ayx h ALA 860 Cb 0.31 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2ayx h ALA 860 CO 0.00 0.41 -0.35 1.25 0.00 0.00 0.00 179.25 180.55 2ayx h LEU 861 N 0.88 0.84 0.34 0.00 5.85 -1.42 -2.32 115.31 119.48 2ayx h LEU 861 Ca 0.22 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 2ayx h LEU 861 Cb 0.15 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2ayx h LEU 861 CO -0.02 1.11 -0.26 -1.13 -0.34 0.00 0.00 178.44 177.79 2ayx h ASN 862 N 0.66 -0.68 0.01 1.25 -1.24 -0.66 -0.96 115.58 113.96 2ayx h ASN 862 Ca 0.06 0.05 -0.03 0.00 0.71 0.00 0.00 56.30 57.09 2ayx h ASN 862 Cb 0.91 0.22 -0.01 0.00 0.73 0.00 0.00 38.32 40.16 2ayx h ASN 862 CO 0.08 -0.40 -0.08 1.62 -1.29 0.00 0.00 177.43 177.37 2ayx h VAL 863 N -0.60 1.13 -0.49 2.57 3.04 -1.47 -1.92 116.25 118.51 2ayx h VAL 863 Ca -0.03 -0.57 -0.06 0.00 -1.01 0.00 0.00 66.70 65.03 2ayx h VAL 863 Cb 0.52 1.13 -0.02 0.00 -2.01 0.00 0.00 31.29 30.92 2ayx h VAL 863 CO -0.01 0.18 0.06 0.25 -1.01 0.00 0.00 177.57 177.04 2ayx h LEU 864 N 0.18 0.73 -0.47 3.16 7.12 -0.80 0.35 115.31 125.58 2ayx h LEU 864 Ca 0.04 -0.15 -0.08 0.00 0.13 0.00 0.00 57.88 57.82 2ayx h LEU 864 Cb 0.26 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.19 2ayx h LEU 864 CO 0.01 0.76 -0.39 0.28 -0.13 0.00 0.00 178.44 178.98 2ayx h SER 865 N 0.74 0.00 0.06 1.25 0.02 -0.44 -3.30 113.55 111.87 2ayx h SER 865 Ca 0.15 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2ayx h SER 865 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 2ayx h SER 865 CO 0.01 0.39 -0.03 0.50 -1.14 0.00 0.00 176.83 176.56 2ayx h LYS 866 N 0.00 -0.08 -4.52 3.45 1.63 -0.83 -3.47 116.57 112.75 2ayx h LYS 866 Ca -0.00 0.01 -0.32 0.00 -0.85 0.00 0.00 60.65 59.48 2ayx h LYS 866 Cb 1.11 0.02 -0.25 0.00 -0.60 0.00 0.00 32.23 32.51 2ayx h LYS 866 CO 0.05 0.51 -0.75 1.21 -3.45 0.00 0.00 179.45 177.02 2ayx s ASN 867 N -5.79 0.83 0.27 4.20 2.47 0.05 -5.11 114.94 111.86 2ayx s ASN 867 Ca -0.13 -0.32 -0.29 0.00 0.42 0.00 0.00 52.86 52.54 2ayx s ASN 867 Cb -0.01 -0.03 -0.09 0.00 -1.45 0.00 0.00 41.25 39.66 2ayx s ASN 867 CO 0.50 -0.04 1.23 -1.38 -3.72 0.00 0.00 177.10 173.69 2ayx s HIS 868 N -0.70 3.30 -0.01 0.43 -3.43 -1.26 -4.25 115.29 109.37 2ayx s HIS 868 Ca -0.03 1.46 0.03 0.00 -0.80 0.00 0.00 55.06 55.72 2ayx s HIS 868 Cb -0.06 -3.51 -0.01 0.00 -1.43 0.00 0.00 32.58 27.57 2ayx s HIS 868 CO 0.00 -1.39 -0.11 0.42 -2.00 0.00 0.00 174.74 171.66 2ayx s ILE 869 N -0.76 0.85 -0.08 -5.38 1.01 -1.26 -4.95 121.20 110.64 2ayx s ILE 869 Ca 0.50 -0.45 -0.07 0.00 0.00 0.00 0.00 60.65 60.63 2ayx s ILE 869 Cb -0.36 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 2ayx s ILE 869 CO 0.44 0.24 0.27 0.44 0.00 0.00 0.00 174.94 176.34 2ayx h ASP 870 N 5.94 -0.16 -3.38 3.58 5.19 -1.88 -3.46 116.42 122.26 2ayx h ASP 870 Ca -0.32 -0.05 -0.67 0.00 -0.62 0.00 0.00 57.03 55.37 2ayx h ASP 870 Cb 1.17 0.04 -0.31 0.00 0.18 0.00 0.00 39.33 40.42 2ayx h ASP 870 CO 0.49 0.34 -0.84 -0.63 -3.12 0.00 0.00 179.24 175.48 2ayx s ILE 871 N -2.24 2.40 -0.12 0.35 1.09 -1.25 -4.13 121.20 117.31 2ayx s ILE 871 Ca -0.04 -0.90 0.02 0.00 -1.10 0.00 0.00 60.65 58.63 2ayx s ILE 871 Cb 0.00 -1.95 0.01 0.00 -1.06 0.00 0.00 42.46 39.47 2ayx s ILE 871 CO 0.12 0.55 -0.18 -0.69 -0.10 0.00 0.00 174.94 174.65 2ayx s VAL 872 N 0.30 1.69 -0.09 2.92 1.01 -1.05 -1.01 120.40 124.16 2ayx s VAL 872 Ca -0.15 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.11 2ayx s VAL 872 Cb -0.17 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 2ayx s VAL 872 CO 0.07 0.48 -0.22 -1.48 0.00 0.00 0.00 175.10 173.95 2ayx s LEU 873 N 0.94 2.22 -0.43 3.92 2.34 -0.83 -0.42 118.68 126.43 2ayx s LEU 873 Ca -0.06 -0.49 -0.06 0.00 0.06 0.00 0.00 54.13 53.57 2ayx s LEU 873 Cb -0.15 -1.44 0.11 0.00 -0.56 0.00 0.00 46.19 44.14 2ayx s LEU 873 CO -0.02 0.19 0.26 -0.44 -1.06 0.00 0.00 176.35 175.28 2ayx s SER 874 N 0.18 5.47 -0.29 1.48 0.01 0.00 -1.98 113.70 118.58 2ayx s SER 874 Ca -0.13 -1.87 -0.20 0.00 1.31 0.00 0.00 55.95 55.06 2ayx s SER 874 Cb -0.16 -1.92 -0.01 0.00 0.21 0.00 0.00 66.02 64.14 2ayx s SER 874 CO 0.07 -0.59 0.61 -1.81 0.41 0.00 0.00 173.24 171.93 2ayx s ASP 875 N 2.17 6.50 -0.13 2.44 1.01 0.24 -1.24 116.67 127.67 2ayx s ASP 875 Ca 0.06 0.49 -0.01 0.00 0.71 0.00 0.00 52.55 53.79 2ayx s ASP 875 Cb -0.24 -2.32 0.04 0.00 1.01 0.00 0.00 42.92 41.40 2ayx s ASP 875 CO -0.02 -0.44 -0.03 0.68 0.21 0.00 0.00 175.17 175.57 2ayx s VAL 876 N 2.55 0.82 0.04 -1.27 -7.23 0.01 -1.41 120.40 113.91 2ayx s VAL 876 Ca 0.25 -0.34 -0.30 0.00 -1.81 0.00 0.00 61.98 59.79 2ayx s VAL 876 Cb -0.15 -0.99 -0.16 0.00 0.56 0.00 0.00 36.38 35.63 2ayx s VAL 876 CO 0.11 0.18 1.31 0.78 -0.31 0.00 0.00 175.10 177.17 2ayx h ASN 877 N 8.20 -0.91 -3.34 4.85 4.21 -1.94 -1.85 115.58 124.81 2ayx h ASN 877 Ca -0.23 0.03 -0.42 0.00 1.21 0.00 0.00 56.30 56.89 2ayx h ASN 877 Cb 1.12 0.23 -0.36 0.00 -1.12 0.00 0.00 38.32 38.19 2ayx h ASN 877 CO 0.36 -0.59 -0.77 -0.32 -1.29 0.00 0.00 177.43 174.82 2ayx s MET 878 N -5.14 0.64 0.00 0.81 1.75 -1.26 -3.65 119.30 112.46 2ayx s MET 878 Ca -0.16 0.04 -0.04 0.00 -1.25 0.00 0.00 55.69 54.29 2ayx s MET 878 Cb 0.02 -0.88 -0.16 0.00 2.84 0.00 0.00 34.83 36.65 2ayx s MET 878 CO 0.47 -0.22 2.38 -0.35 -0.65 0.00 0.00 175.02 176.65 2ayx n PRO 879 N 4.71 1.20 0.00 4.11 -0.04 -1.26 -4.83 135.00 138.89 2ayx n PRO 879 Ca -0.14 -0.60 0.00 0.00 -0.04 0.00 0.00 63.50 62.72 2ayx n PRO 879 Cb 0.50 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 2ayx n PRO 879 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2ayx n ASN 880 N 2.68 0.00 0.00 3.54 5.15 -1.26 -1.57 115.26 123.79 2ayx n ASN 880 Ca 0.26 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.24 2ayx n ASN 880 Cb 0.55 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.80 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 0.00 0.00 -1.12 1.20 0.00 -1.26 -4.91 117.12 111.02 2ayx n MET 881 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 57.70 57.53 2ayx n MET 881 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 33.22 33.44 2ayx n MET 881 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2ayx n ASP 882 N -0.36 3.88 0.27 6.12 5.75 -1.24 -4.67 116.55 126.29 2ayx n ASP 882 Ca 0.00 -3.53 0.18 0.00 -0.01 0.00 0.00 54.79 51.43 2ayx n ASP 882 Cb 0.00 -0.79 0.94 0.00 -1.03 0.00 0.00 41.12 40.24 2ayx n ASP 882 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2ayx h GLY 883 N 1.43 0.00 1.86 6.12 0.00 -1.64 0.63 103.07 111.47 2ayx h GLY 883 Ca 0.49 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.84 2ayx h GLY 883 CO 0.93 0.00 0.05 -1.82 0.00 0.00 0.00 176.54 175.70 2ayx h TYR 884 N 0.00 0.00 -0.16 5.60 5.03 -1.84 -1.15 116.97 124.45 2ayx h TYR 884 Ca 0.00 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 2ayx h TYR 884 Cb 0.05 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.32 2ayx h TYR 884 CO 0.00 0.00 0.05 -0.09 -1.32 0.00 0.00 178.16 176.80 2ayx h ARG 885 N 0.00 0.22 -0.12 1.82 1.12 -1.26 -0.19 114.38 115.96 2ayx h ARG 885 Ca 0.03 -0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 58.85 2ayx h ARG 885 Cb 0.13 -0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.04 2ayx h ARG 885 CO -0.00 0.20 -0.04 1.25 -3.11 0.00 0.00 179.97 178.27 2ayx h LEU 886 N 0.22 0.25 -0.50 3.80 5.85 -1.39 0.36 115.31 123.90 2ayx h LEU 886 Ca 0.06 -0.38 -0.15 0.00 0.84 0.00 0.00 57.88 58.25 2ayx h LEU 886 Cb 0.07 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2ayx h LEU 886 CO -0.00 0.57 -0.38 0.71 -0.34 0.00 0.00 178.44 179.00 2ayx h THR 887 N -0.08 1.28 0.11 1.05 1.35 -1.53 -2.43 112.91 112.67 2ayx h THR 887 Ca 0.03 -1.55 -0.01 0.00 -0.55 0.00 0.00 66.41 64.34 2ayx h THR 887 Cb 0.47 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 2ayx h THR 887 CO 0.01 0.51 -0.05 -0.61 -0.25 0.00 0.00 175.52 175.13 2ayx h GLN 888 N 0.67 -0.15 -0.62 4.72 5.75 -1.01 -2.81 115.11 121.66 2ayx h GLN 888 Ca 0.06 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.54 2ayx h GLN 888 Cb 0.94 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.49 2ayx h GLN 888 CO 0.09 0.03 0.29 -0.09 -2.65 0.00 0.00 178.83 176.49 2ayx h ARG 889 N -0.29 0.89 -0.44 1.69 2.43 -0.86 0.03 114.38 117.83 2ayx h ARG 889 Ca -0.02 -0.13 -0.11 0.00 -0.81 0.00 0.00 59.98 58.91 2ayx h ARG 889 Cb 0.24 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2ayx h ARG 889 CO 0.03 0.72 -0.17 0.97 -1.51 0.00 0.00 179.97 180.01 2ayx h ILE 890 N 0.85 1.27 0.00 1.20 2.10 -1.47 -0.06 117.51 121.39 2ayx h ILE 890 Ca 0.21 -1.30 -0.11 0.00 1.08 0.00 0.00 64.86 64.73 2ayx h ILE 890 Cb 0.13 1.19 -0.02 0.00 -1.09 0.00 0.00 36.82 37.03 2ayx h ILE 890 CO -0.03 0.44 -0.54 0.08 -1.08 0.00 0.00 178.15 177.03 2ayx h ARG 891 N 0.72 0.00 0.08 2.19 0.11 -1.34 -2.52 114.38 113.62 2ayx h ARG 891 Ca 0.10 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.92 2ayx h ARG 891 Cb 0.72 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.82 2ayx h ARG 891 CO 0.06 0.54 -1.13 0.37 0.10 0.00 0.00 179.97 179.90 2ayx h GLN 892 N 0.00 0.46 -0.03 0.08 5.75 -0.78 -3.26 115.11 117.33 2ayx h GLN 892 Ca -0.01 -0.60 -0.17 0.00 -0.15 0.00 0.00 58.65 57.73 2ayx h GLN 892 Cb 1.18 0.20 -0.01 0.00 1.07 0.00 0.00 27.48 29.91 2ayx h GLN 892 CO 0.07 1.24 -0.73 -0.07 -2.65 0.00 0.00 178.83 176.69 2ayx h LEU 893 N 0.21 0.22 0.00 -2.39 -0.00 -1.01 -3.48 115.31 108.86 2ayx h LEU 893 Ca -0.14 -0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 2ayx h LEU 893 Cb 1.80 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 42.40 2ayx h LEU 893 CO 0.20 0.88 0.00 0.61 -0.00 0.00 0.00 178.44 180.13 2ayx n GLY 894 N 0.55 1.07 3.77 0.83 0.00 -0.97 -5.10 105.19 105.35 2ayx n GLY 894 Ca -0.03 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 2ayx n GLY 894 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2ayx s LEU 895 N 0.00 4.44 -0.08 0.99 0.05 -1.11 -4.97 118.68 118.00 2ayx s LEU 895 Ca 0.00 1.17 0.16 0.00 0.05 0.00 0.00 54.13 55.51 2ayx s LEU 895 Cb 0.00 -2.91 0.32 0.00 -2.05 0.00 0.00 46.19 41.55 2ayx s LEU 895 CO 0.00 0.14 1.15 0.35 -0.55 0.00 0.00 176.35 177.44 2ayx n THR 896 N 2.52 0.89 -3.88 5.48 -2.24 -1.26 -5.04 114.28 110.76 2ayx n THR 896 Ca -0.08 -1.61 -0.10 0.00 -2.27 0.00 0.00 64.05 59.99 2ayx n THR 896 Cb 0.51 0.37 -0.09 0.00 -2.10 0.00 0.00 70.33 69.02 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 -1.33 1.53 -0.25 3.22 0.05 -1.26 -5.11 118.68 115.53 2ayx s LEU 897 Ca 0.28 -0.42 -0.28 0.00 0.05 0.00 0.00 54.13 53.75 2ayx s LEU 897 Cb 0.29 0.82 -0.04 0.00 -2.05 0.00 0.00 46.19 45.21 2ayx s LEU 897 CO -0.08 -0.53 2.02 -2.84 -0.55 0.00 0.00 176.35 174.36 2ayx s PRO 898 N -2.54 3.28 -0.37 1.48 0.02 -1.26 -4.93 135.00 130.69 2ayx s PRO 898 Ca -0.05 1.80 -0.13 0.00 0.02 0.00 0.00 61.00 62.64 2ayx s PRO 898 Cb -0.01 -4.28 0.00 0.00 0.02 0.00 0.00 34.50 30.23 2ayx s PRO 898 CO -0.04 -1.93 0.25 0.08 -0.33 0.00 0.00 177.00 175.03 2ayx s VAL 899 N 7.46 5.13 -0.51 3.83 1.01 -1.09 -2.53 120.40 133.70 2ayx s VAL 899 Ca 0.91 -0.46 -0.22 0.00 0.00 0.00 0.00 61.98 62.21 2ayx s VAL 899 Cb -0.29 -3.73 0.04 0.00 0.00 0.00 0.00 36.38 32.40 2ayx s VAL 899 CO 0.35 -0.13 0.76 -0.63 0.00 0.00 0.00 175.10 175.44 2ayx s ILE 900 N 1.68 4.67 -0.26 2.22 1.01 0.44 -1.57 121.20 129.38 2ayx s ILE 900 Ca 0.05 -0.04 -0.24 0.00 0.00 0.00 0.00 60.65 60.42 2ayx s ILE 900 Cb -0.18 -4.38 -0.00 0.00 0.01 0.00 0.00 42.46 37.91 2ayx s ILE 900 CO 0.09 -0.88 0.80 -0.83 0.00 0.00 0.00 174.94 174.12 2ayx s GLY 901 N 2.60 1.74 -0.16 6.18 0.00 -0.01 -0.82 107.32 116.86 2ayx s GLY 901 Ca 0.23 -0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.70 2ayx s GLY 901 CO 0.17 1.76 -0.14 0.54 0.00 0.00 0.00 173.10 175.42 2ayx s VAL 902 N 2.85 1.62 0.28 1.40 0.11 -0.37 -1.25 120.40 125.05 2ayx s VAL 902 Ca 0.33 -0.69 0.12 0.00 -2.93 0.00 0.00 61.98 58.81 2ayx s VAL 902 Cb -0.15 -1.53 -0.05 0.00 -1.53 0.00 0.00 36.38 33.12 2ayx s VAL 902 CO 0.09 0.44 -0.20 0.42 -3.33 0.00 0.00 175.10 172.52 2ayx s THR 903 N 1.46 2.47 0.28 5.04 -4.23 -0.75 -0.81 115.64 119.11 2ayx s THR 903 Ca 0.04 -2.41 -0.29 0.00 -1.18 0.00 0.00 61.69 57.85 2ayx s THR 903 Cb -0.13 -2.30 -0.10 0.00 1.34 0.00 0.00 72.50 71.31 2ayx s THR 903 CO -0.11 -0.40 1.16 0.00 -0.54 0.00 0.00 174.62 174.73 2ayx s ALA 904 N -2.51 3.43 -0.41 3.99 0.00 -0.70 0.01 121.76 125.58 2ayx s ALA 904 Ca 0.30 0.99 -0.27 0.00 0.00 0.00 0.00 51.96 52.97 2ayx s ALA 904 Cb -0.05 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 2ayx s ALA 904 CO 0.15 -0.29 2.06 1.21 0.00 0.00 0.00 175.76 178.89 2ayx s ASN 905 N -0.67 5.30 -0.03 0.00 3.84 -1.26 -4.71 114.94 117.41 2ayx s ASN 905 Ca 0.46 1.17 -0.00 0.00 0.21 0.00 0.00 52.86 54.70 2ayx s ASN 905 Cb -0.34 -2.52 -0.02 0.00 -0.55 0.00 0.00 41.25 37.83 2ayx s ASN 905 CO 0.43 -2.20 -0.03 0.00 -2.79 0.00 0.00 177.10 172.51 2ayx n ALA 906 N 12.53 2.20 -0.40 1.71 0.00 -1.26 -5.06 120.51 130.23 2ayx n ALA 906 Ca 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2ayx n ALA 906 Cb 0.49 0.45 0.00 0.00 0.00 0.00 0.00 19.45 20.39 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 -2.74 0.00 -2.71 0.00 0.00 -1.26 -5.05 117.00 105.24 2ayx n LEU 907 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 56.01 55.88 2ayx n LEU 907 Cb 0.55 0.28 0.10 0.00 0.00 0.00 0.00 43.42 44.35 2ayx n LEU 907 CO 0.02 -0.30 0.45 0.00 0.00 0.00 0.00 177.39 177.55 2ayx n ALA 908 N -1.91 -0.10 0.20 1.96 0.00 -1.26 -4.98 120.51 114.43 2ayx n ALA 908 Ca 0.00 -1.29 0.04 0.00 0.00 0.00 0.00 53.44 52.19 2ayx n ALA 908 Cb 0.00 -1.18 0.42 0.00 0.00 0.00 0.00 19.45 18.70 2ayx n ALA 908 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2ayx h GLU 909 N 2.44 0.00 -0.79 0.00 -0.00 -1.96 -0.93 114.58 113.34 2ayx h GLU 909 Ca -0.21 0.00 0.04 0.00 -0.00 0.00 0.00 59.36 59.19 2ayx h GLU 909 Cb 1.20 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 29.90 2ayx h GLU 909 CO 0.02 0.29 0.52 1.05 -0.00 0.00 0.00 179.01 180.89 2ayx h GLU 910 N 0.00 0.93 -0.44 1.06 -0.00 -1.93 0.18 114.58 114.38 2ayx h GLU 910 Ca -0.00 -0.06 -0.11 0.00 -0.00 0.00 0.00 59.36 59.19 2ayx h GLU 910 Cb 0.52 -0.21 -0.01 0.00 -0.00 0.00 0.00 28.75 29.04 2ayx h GLU 910 CO 0.04 0.62 -0.14 -0.22 -0.00 0.00 0.00 179.01 179.30 2ayx h LYS 911 N 0.96 0.87 -0.62 1.06 3.64 -1.59 -1.29 116.57 119.60 2ayx h LYS 911 Ca 0.32 -0.35 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 2ayx h LYS 911 Cb 0.06 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 2ayx h LYS 911 CO -0.09 0.99 0.27 1.96 -2.27 0.00 0.00 179.45 180.30 2ayx h GLN 912 N 0.69 0.89 -0.46 1.90 7.50 -1.03 -0.54 115.11 124.07 2ayx h GLN 912 Ca 0.11 -0.13 -0.09 0.00 0.50 0.00 0.00 58.65 59.04 2ayx h GLN 912 Cb 0.69 -0.16 -0.02 0.00 0.05 0.00 0.00 27.48 28.04 2ayx h GLN 912 CO 0.05 0.71 -0.08 0.00 -1.50 0.00 0.00 178.83 178.01 2ayx h ARG 913 N 0.88 0.80 -0.22 1.46 2.47 -0.72 -0.26 114.38 118.79 2ayx h ARG 913 Ca 0.21 -0.25 -0.07 0.00 -1.26 0.00 0.00 59.98 58.60 2ayx h ARG 913 Cb 0.13 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 2ayx h ARG 913 CO -0.02 0.86 -0.18 0.00 0.56 0.00 0.00 179.97 181.18 2ayx h LEU 915 N 0.36 0.98 0.14 0.00 5.85 -0.58 -3.30 115.31 118.76 2ayx h LEU 915 Ca 0.06 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 2ayx h LEU 915 Cb 0.53 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.29 2ayx h LEU 915 CO 0.03 1.25 -0.07 -0.08 -0.34 0.00 0.00 178.44 179.24 2ayx h GLU 916 N 0.74 -0.18 -6.64 1.25 4.22 -0.65 -3.47 114.58 109.84 2ayx h GLU 916 Ca 0.05 0.01 -0.53 0.00 0.08 0.00 0.00 59.36 58.98 2ayx h GLU 916 Cb 1.00 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 30.19 2ayx h GLU 916 CO 0.10 0.13 -0.89 0.43 -2.18 0.00 0.00 179.01 176.59 2ayx n SER 917 N -5.03 -0.63 0.00 1.04 7.64 -0.29 -4.83 113.62 111.51 2ayx n SER 917 Ca -0.09 -1.05 0.00 0.00 1.01 0.00 0.00 58.87 58.74 2ayx n SER 917 Cb 0.21 -2.75 0.00 0.00 -1.01 0.00 0.00 64.21 60.66 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 -1.97 0.00 0.00 0.23 0.00 -1.26 -4.97 105.19 97.21 2ayx n GLY 918 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.31 0.00 0.00 1.61 2.81 -1.26 -4.91 117.12 114.07 2ayx n MET 919 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2ayx n MET 919 Cb 0.18 -0.81 0.00 0.00 -0.71 0.00 0.00 33.22 31.88 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 -0.45 0.00 -4.88 7.83 -0.08 -0.61 -2.66 116.55 115.69 2ayx n ASP 920 Ca 0.00 0.00 -0.25 0.00 -1.51 0.00 0.00 54.79 53.03 2ayx n ASP 920 Cb 0.00 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 2ayx n ASP 920 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2ayx s SER 921 N -4.00 4.71 -0.09 1.67 1.04 -0.97 -4.97 113.70 111.08 2ayx s SER 921 Ca 0.00 -1.11 -0.07 0.00 0.48 0.00 0.00 55.95 55.25 2ayx s SER 921 Cb 0.00 0.10 0.03 0.00 0.10 0.00 0.00 66.02 66.25 2ayx s SER 921 CO 0.00 -0.96 0.23 0.00 0.98 0.00 0.00 173.24 173.50 2ayx n LEU 923 N 3.27 0.00 -4.54 0.00 4.77 -0.38 -4.95 117.00 115.16 2ayx n LEU 923 Ca -0.16 -1.83 -0.29 0.00 -0.03 0.00 0.00 56.01 53.70 2ayx n LEU 923 Cb 0.57 1.19 -0.10 0.00 -2.33 0.00 0.00 43.42 42.75 2ayx n LEU 923 CO 0.18 -0.34 -0.45 -0.44 -1.33 0.00 0.00 177.39 175.01 2ayx s SER 924 N -2.36 4.19 0.30 -1.43 0.01 -1.26 -1.81 113.70 111.34 2ayx s SER 924 Ca 0.22 -0.48 0.06 0.00 1.31 0.00 0.00 55.95 57.06 2ayx s SER 924 Cb 0.01 -0.71 0.76 0.00 0.21 0.00 0.00 66.02 66.28 2ayx s SER 924 CO 0.15 0.17 1.76 0.11 0.41 0.00 0.00 173.24 175.84 2ayx h LYS 925 N 3.56 0.68 -4.99 12.44 1.79 -0.69 -3.32 116.57 126.05 2ayx h LYS 925 Ca -0.49 -0.04 -0.47 0.00 -2.18 0.00 0.00 60.65 57.47 2ayx h LYS 925 Cb 1.17 -0.15 0.11 0.00 -1.58 0.00 0.00 32.23 31.77 2ayx h LYS 925 CO 0.50 0.45 1.15 -2.30 -1.08 0.00 0.00 179.45 178.17 2ayx n PRO 926 N -4.81 0.18 -4.02 3.15 -0.02 -1.26 -4.87 135.00 123.35 2ayx n PRO 926 Ca 0.24 -1.25 -0.35 0.00 -2.02 0.00 0.00 63.50 60.11 2ayx n PRO 926 Cb 0.60 -2.87 -0.12 0.00 -0.02 0.00 0.00 33.50 31.10 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 9.14 4.13 0.66 -1.45 1.01 -1.25 -5.11 120.40 127.53 2ayx s VAL 927 Ca 0.71 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 62.40 2ayx s VAL 927 Cb 0.10 -2.88 0.06 0.00 0.00 0.00 0.00 36.38 33.67 2ayx s VAL 927 CO 0.29 0.42 0.93 0.42 0.00 0.00 0.00 175.10 177.16 2ayx s THR 928 N 1.00 2.40 0.11 3.92 -4.23 -1.26 -4.90 115.64 112.67 2ayx s THR 928 Ca 0.02 -0.44 -0.18 0.00 -1.18 0.00 0.00 61.69 59.91 2ayx s THR 928 Cb -0.14 -2.96 -0.05 0.00 1.34 0.00 0.00 72.50 70.69 2ayx s THR 928 CO 0.02 0.00 1.64 0.25 -0.54 0.00 0.00 174.62 175.99 2ayx h LEU 929 N -0.37 0.41 -0.61 4.79 7.12 -1.99 0.90 115.31 125.56 2ayx h LEU 929 Ca -0.43 -0.18 -0.04 0.00 0.13 0.00 0.00 57.88 57.36 2ayx h LEU 929 Cb 1.30 -0.11 -0.03 0.00 -0.53 0.00 0.00 40.66 41.30 2ayx h LEU 929 CO 0.55 0.47 0.21 -0.78 -0.13 0.00 0.00 178.44 178.76 2ayx h ASP 930 N 0.32 0.87 0.20 1.25 3.58 -1.99 -0.88 116.42 119.77 2ayx h ASP 930 Ca 0.10 -0.20 -0.10 0.00 0.42 0.00 0.00 57.03 57.25 2ayx h ASP 930 Cb 0.20 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 2ayx h ASP 930 CO -0.01 0.83 -0.37 0.58 -2.88 0.00 0.00 179.24 177.39 2ayx h VAL 931 N 0.86 1.29 -0.71 2.25 2.07 -1.92 -0.37 116.25 119.72 2ayx h VAL 931 Ca 0.20 -1.43 -0.07 0.00 0.82 0.00 0.00 66.70 66.22 2ayx h VAL 931 Cb 0.26 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 2ayx h VAL 931 CO -0.01 0.43 0.16 -0.29 0.02 0.00 0.00 177.57 177.88 2ayx h ILE 932 N 0.21 1.26 -0.25 4.57 -0.00 -0.30 -0.33 117.51 122.67 2ayx h ILE 932 Ca 0.02 -0.99 -0.04 0.00 -0.00 0.00 0.00 64.86 63.85 2ayx h ILE 932 Cb 0.76 0.54 -0.01 0.00 -0.00 0.00 0.00 36.82 38.11 2ayx h ILE 932 CO 0.06 0.38 0.00 0.50 -0.00 0.00 0.00 178.15 179.09 2ayx h LYS 933 N 1.08 0.44 0.36 2.19 3.64 -0.61 -0.21 116.57 123.45 2ayx h LYS 933 Ca 0.22 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 2ayx h LYS 933 Cb 0.39 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2ayx h LYS 933 CO 0.00 0.61 -0.17 1.96 -2.27 0.00 0.00 179.45 179.58 2ayx h GLN 934 N 0.22 -0.46 -0.64 1.90 1.08 -0.94 -0.35 115.11 115.91 2ayx h GLN 934 Ca 0.07 0.03 -0.08 0.00 -1.45 0.00 0.00 58.65 57.23 2ayx h GLN 934 Cb 0.41 0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.92 2ayx h GLN 934 CO 0.01 -0.26 0.10 1.15 -0.95 0.00 0.00 178.83 178.88 2ayx h THR 935 N -0.56 1.26 -0.18 -0.54 2.02 -1.08 -0.25 112.91 113.58 2ayx h THR 935 Ca -0.05 -1.02 -0.00 0.00 0.77 0.00 0.00 66.41 66.11 2ayx h THR 935 Cb 0.42 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 2ayx h THR 935 CO 0.08 0.38 0.11 0.25 0.37 0.00 0.00 175.52 176.71 2ayx h LEU 936 N 0.99 0.21 -0.69 2.58 5.85 -0.97 -2.07 115.31 121.22 2ayx h LEU 936 Ca 0.20 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 2ayx h LEU 936 Cb 0.43 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2ayx h LEU 936 CO 0.01 0.20 0.30 0.74 -0.34 0.00 0.00 178.44 179.35 2ayx h THR 937 N 0.21 1.24 -0.33 1.05 2.02 -0.75 0.81 112.91 117.16 2ayx h THR 937 Ca 0.06 -0.73 0.01 0.00 0.77 0.00 0.00 66.41 66.53 2ayx h THR 937 Cb 0.02 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 2ayx h THR 937 CO -0.01 0.29 0.20 0.25 0.37 0.00 0.00 175.52 176.63 2ayx h LEU 938 N 0.98 0.35 -0.06 2.58 6.46 -0.85 -0.29 115.31 124.48 2ayx h LEU 938 Ca 0.23 -0.00 -0.23 0.00 -0.12 0.00 0.00 57.88 57.76 2ayx h LEU 938 Cb 0.18 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 2ayx h LEU 938 CO -0.02 0.25 -1.04 1.88 -0.62 0.00 0.00 178.44 178.89 2ayx h TYR 939 N 0.42 0.29 -0.49 1.25 0.05 -1.23 -2.71 116.97 114.55 2ayx h TYR 939 Ca 0.12 -0.19 -0.10 0.00 0.05 0.00 0.00 58.73 58.62 2ayx h TYR 939 Cb -0.03 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 2ayx h TYR 939 CO -0.06 1.09 -0.07 0.00 -1.05 0.00 0.00 178.16 178.07 2ayx h ALA 940 N 0.84 0.67 -0.33 3.88 0.00 -0.66 -1.64 119.26 122.02 2ayx h ALA 940 Ca -0.07 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 2ayx h ALA 940 Cb 1.74 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 2ayx h ALA 940 CO 0.16 0.54 -0.19 1.05 0.00 0.00 0.00 179.25 180.80 2ayx h GLU 941 N 0.76 0.61 -0.16 0.00 4.11 -1.11 -0.07 114.58 118.74 2ayx h GLU 941 Ca 0.13 -0.22 0.00 0.00 0.07 0.00 0.00 59.36 59.34 2ayx h GLU 941 Cb 0.61 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2ayx h GLU 941 CO 0.04 0.77 0.10 -0.09 0.07 0.00 0.00 179.01 179.90 2ayx h ARG 942 N 0.55 0.21 0.00 1.06 1.12 -1.11 -0.56 114.38 115.64 2ayx h ARG 942 Ca 0.09 -0.01 -0.17 0.00 -1.11 0.00 0.00 59.98 58.77 2ayx h ARG 942 Cb 0.64 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.53 2ayx h ARG 942 CO 0.05 0.15 -0.81 -0.39 -3.11 0.00 0.00 179.97 175.85 2ayx h VAL 943 N 0.20 1.57 -0.58 0.20 -1.51 -1.23 -2.88 116.25 112.03 2ayx h VAL 943 Ca 0.06 -2.75 -0.07 0.00 -1.23 0.00 0.00 66.70 62.70 2ayx h VAL 943 Cb -0.01 2.49 -0.02 0.00 -2.13 0.00 0.00 31.29 31.61 2ayx h VAL 943 CO -0.01 0.79 0.07 -0.09 -1.23 0.00 0.00 177.57 177.09 2ayx h ARG 944 N 0.01 0.98 -0.03 5.19 2.43 -0.71 0.03 114.38 122.27 2ayx h ARG 944 Ca -0.01 -0.28 -0.13 0.00 -0.81 0.00 0.00 59.98 58.75 2ayx h ARG 944 Cb 1.43 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.86 2ayx h ARG 944 CO 0.11 0.94 -0.60 1.57 -1.51 0.00 0.00 179.97 180.48 2ayx h LYS 945 N 0.87 0.11 -0.24 0.20 2.10 -1.12 0.05 116.57 118.55 2ayx h LYS 945 Ca 0.17 -0.08 -0.12 0.00 -2.00 0.00 0.00 60.65 58.62 2ayx h LYS 945 Cb 0.45 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.78 2ayx h LYS 945 CO 0.02 0.68 -0.37 0.77 -2.00 0.00 0.00 179.45 178.55 2ayx h SER 946 N 0.08 0.57 1.74 7.07 0.02 -1.27 -2.81 113.55 118.95 2ayx h SER 946 Ca -0.01 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2ayx h SER 946 Cb 1.08 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.46 2ayx h SER 946 CO 0.08 0.88 0.00 -0.09 -1.14 0.00 0.00 176.83 176.57 2ayx h ARG 947 N 0.45 0.00 -5.09 3.45 2.43 -0.69 -3.48 114.38 111.46 2ayx h ARG 947 Ca 0.05 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.97 2ayx h ARG 947 Cb 0.85 0.00 0.16 0.00 -0.42 0.00 0.00 29.97 30.55 2ayx h ARG 947 CO 0.07 0.00 -0.69 -3.47 -1.51 0.00 0.00 179.97 174.38 2ayx n ASP 948 N -3.08 -3.73 0.00 -3.80 2.03 -0.02 -5.07 116.55 102.87 2ayx n ASP 948 Ca 0.03 -0.56 0.00 0.00 0.52 0.00 0.00 54.79 54.78 2ayx n ASP 948 Cb 0.47 -4.46 0.00 0.00 -0.72 0.00 0.00 41.12 36.41 2ayx n ASP 948 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08