#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 0.67 7.00 -5.12 0.00 -1.26 -4.78 105.19 101.70 2ayx n GLY 697 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 5.00 -0.48 0.14 -0.02 0.00 -1.26 -4.36 105.19 104.22 2ayx n GLY 698 Ca 0.00 -0.95 -0.23 0.00 0.00 0.00 0.00 46.02 44.84 2ayx n GLY 698 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ayx h SER 699 N 0.00 0.60 -1.87 1.61 4.64 -1.96 -3.47 113.55 113.10 2ayx h SER 699 Ca 0.00 -0.93 0.00 0.00 -0.47 0.00 0.00 61.79 60.39 2ayx h SER 699 Cb 0.00 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.89 2ayx h SER 699 CO 0.00 1.77 0.00 0.61 -0.87 0.00 0.00 176.83 178.34 2ayx n GLY 700 N 1.85 -1.49 2.55 -0.77 0.00 -1.26 -4.44 105.19 101.64 2ayx n GLY 700 Ca -0.25 -1.00 -0.27 0.00 0.00 0.00 0.00 46.02 44.51 2ayx n GLY 700 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ayx n VAL 701 N 1.19 2.54 -2.66 1.61 0.31 -1.26 -4.63 118.33 115.43 2ayx n VAL 701 Ca 0.00 -5.31 -0.42 0.00 -0.01 0.00 0.00 64.34 58.60 2ayx n VAL 701 Cb 0.00 -1.91 -0.03 0.00 -0.91 0.00 0.00 33.84 30.99 2ayx n VAL 701 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2ayx s GLU 702 N -2.74 4.54 0.00 5.55 8.01 -1.26 -5.04 118.70 127.75 2ayx s GLU 702 Ca 0.42 1.48 0.00 0.00 0.01 0.00 0.00 54.97 56.89 2ayx s GLU 702 Cb 0.18 -3.44 0.00 0.00 -4.31 0.00 0.00 34.13 26.56 2ayx s GLU 702 CO -0.04 -0.09 0.00 0.41 0.01 0.00 0.00 175.26 175.55 2ayx n GLY 703 N 2.96 2.17 2.14 -1.39 0.00 -1.26 -4.70 105.19 105.11 2ayx n GLY 703 Ca 0.07 -1.96 -0.18 0.00 0.00 0.00 0.00 46.02 43.94 2ayx n GLY 703 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ayx n LEU 704 N 0.00 6.06 -3.28 0.99 4.32 -0.80 -4.51 117.00 119.77 2ayx n LEU 704 Ca 0.00 -3.52 -0.26 0.00 -0.02 0.00 0.00 56.01 52.20 2ayx n LEU 704 Cb 0.00 -1.23 -0.03 0.00 -1.62 0.00 0.00 43.42 40.54 2ayx n LEU 704 CO 0.00 1.55 2.24 -1.20 -1.22 0.00 0.00 177.39 178.75 2ayx n SER 705 N 1.23 4.09 0.00 -1.43 7.64 -1.15 -2.34 113.62 121.66 2ayx n SER 705 Ca 0.39 -2.40 0.00 0.00 1.01 0.00 0.00 58.87 57.87 2ayx n SER 705 Cb 0.65 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 2ayx n SER 705 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ayx n GLY 706 N 3.97 0.00 3.75 0.23 0.00 -1.05 -3.03 105.19 109.05 2ayx n GLY 706 Ca 0.44 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.35 2.96 0.07 1.61 -0.14 -0.99 -4.70 119.74 118.21 2ayx s LYS 707 Ca 0.00 1.97 0.08 0.00 -1.36 0.00 0.00 55.97 56.66 2ayx s LYS 707 Cb 0.00 -2.01 -0.03 0.00 -1.68 0.00 0.00 37.83 34.10 2ayx s LYS 707 CO 0.00 -1.25 -0.19 1.03 -0.76 0.00 0.00 175.35 174.18 2ayx s ARG 708 N -3.21 1.94 -0.02 1.68 0.52 -1.26 -0.81 118.95 117.78 2ayx s ARG 708 Ca 0.77 -1.07 0.05 0.00 -0.52 0.00 0.00 55.73 54.96 2ayx s ARG 708 Cb -0.34 -2.14 -0.01 0.00 0.52 0.00 0.00 34.95 32.98 2ayx s ARG 708 CO 0.38 0.52 -0.17 0.00 0.02 0.00 0.00 175.30 176.05 2ayx s TRP 710 N -0.20 3.18 -0.01 0.00 0.52 -0.44 -0.53 118.94 121.47 2ayx s TRP 710 Ca 0.02 -0.02 0.01 0.00 0.02 0.00 0.00 56.10 56.13 2ayx s TRP 710 Cb -0.08 -2.02 0.00 0.00 -1.15 0.00 0.00 33.47 30.22 2ayx s TRP 710 CO 0.00 0.13 -0.04 -0.48 0.02 0.00 0.00 176.95 176.58 2ayx s LEU 711 N 0.25 1.84 -0.44 2.99 2.34 -0.39 -0.83 118.68 124.45 2ayx s LEU 711 Ca 0.02 -0.08 0.09 0.00 0.06 0.00 0.00 54.13 54.21 2ayx s LEU 711 Cb -0.13 -0.26 0.40 0.00 -0.56 0.00 0.00 46.19 45.65 2ayx s LEU 711 CO 0.01 0.03 0.99 0.00 -1.06 0.00 0.00 176.35 176.32 2ayx n ALA 712 N 3.22 4.24 -2.86 1.48 0.00 0.43 -0.79 120.51 126.23 2ayx n ALA 712 Ca -0.16 -4.03 -0.34 0.00 0.00 0.00 0.00 53.44 48.91 2ayx n ALA 712 Cb 0.57 -0.72 -0.12 0.00 0.00 0.00 0.00 19.45 19.18 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 -4.38 3.89 -0.60 0.00 1.01 -1.26 -1.91 120.40 117.16 2ayx s VAL 713 Ca 0.43 -0.37 0.15 0.00 0.00 0.00 0.00 61.98 62.19 2ayx s VAL 713 Cb 0.38 -2.68 -0.18 0.00 0.00 0.00 0.00 36.38 33.90 2ayx s VAL 713 CO -0.11 0.52 0.59 0.54 0.00 0.00 0.00 175.10 176.65 2ayx n ARG 714 N 3.15 1.68 -2.33 2.72 3.00 -1.26 -4.82 116.66 118.80 2ayx n ARG 714 Ca -0.18 -0.03 -0.43 0.00 -0.01 0.00 0.00 57.85 57.21 2ayx n ARG 714 Cb 0.53 -1.25 -0.02 0.00 0.00 0.00 0.00 32.46 31.71 2ayx n ARG 714 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 2ayx s ASN 715 N -2.69 6.46 0.14 0.55 3.84 -1.26 -4.91 114.94 117.07 2ayx s ASN 715 Ca 0.04 1.13 -0.15 0.00 0.21 0.00 0.00 52.86 54.08 2ayx s ASN 715 Cb 0.11 -2.54 0.01 0.00 -0.55 0.00 0.00 41.25 38.28 2ayx s ASN 715 CO 0.63 -1.27 1.69 0.00 -2.79 0.00 0.00 177.10 175.37 2ayx h ALA 716 N 10.21 0.56 -0.55 1.71 0.00 -1.98 0.39 119.26 129.59 2ayx h ALA 716 Ca -0.28 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 2ayx h ALA 716 Cb 1.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2ayx h ALA 716 CO 1.05 0.15 -0.04 0.77 0.00 0.00 0.00 179.25 181.18 2ayx h SER 717 N 0.55 0.96 0.07 0.00 0.02 -1.98 0.13 113.55 113.30 2ayx h SER 717 Ca 0.14 -0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2ayx h SER 717 Cb 0.18 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.46 2ayx h SER 717 CO -0.01 1.04 -0.03 0.25 -1.14 0.00 0.00 176.83 176.94 2ayx h LEU 718 N 0.89 -0.07 -0.55 5.07 6.46 -1.72 -2.36 115.31 123.03 2ayx h LEU 718 Ca 0.15 -0.40 -0.06 0.00 -0.12 0.00 0.00 57.88 57.46 2ayx h LEU 718 Cb 0.57 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.50 2ayx h LEU 718 CO 0.03 0.37 0.09 0.00 -0.62 0.00 0.00 178.44 178.32 2ayx h GLN 720 N 0.79 1.21 0.25 0.00 4.15 -1.02 -0.05 115.11 120.45 2ayx h GLN 720 Ca 0.17 -0.11 -0.00 0.00 0.77 0.00 0.00 58.65 59.47 2ayx h GLN 720 Cb 0.40 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 2ayx h GLN 720 CO 0.01 0.85 -0.20 0.74 -1.93 0.00 0.00 178.83 178.30 2ayx h PHE 721 N 1.23 -0.52 -0.09 3.99 0.04 -1.03 -1.11 116.94 119.44 2ayx h PHE 721 Ca 0.32 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.07 2ayx h PHE 721 Cb -0.04 0.20 -0.00 0.00 2.20 0.00 0.00 35.95 38.30 2ayx h PHE 721 CO 0.01 -0.30 -0.02 -0.07 -0.60 0.00 0.00 178.31 177.32 2ayx h LEU 722 N -0.46 0.18 -0.90 1.54 3.38 -1.31 -2.71 115.31 115.04 2ayx h LEU 722 Ca -0.01 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.61 2ayx h LEU 722 Cb 0.41 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 2ayx h LEU 722 CO -0.02 0.51 0.59 1.05 0.09 0.00 0.00 178.44 180.66 2ayx h GLU 723 N -0.14 1.15 -0.23 1.13 4.11 -0.95 -1.81 114.58 117.83 2ayx h GLU 723 Ca 0.02 -0.07 -0.15 0.00 0.07 0.00 0.00 59.36 59.23 2ayx h GLU 723 Cb 0.43 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2ayx h GLU 723 CO 0.01 0.76 -0.47 1.15 0.07 0.00 0.00 179.01 180.53 2ayx h THR 724 N 1.18 1.31 -0.23 -1.06 2.02 -1.23 -0.34 112.91 114.56 2ayx h THR 724 Ca 0.34 -1.68 -0.09 0.00 0.77 0.00 0.00 66.41 65.76 2ayx h THR 724 Cb -0.09 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 2ayx h THR 724 CO -0.09 0.53 -0.24 0.28 0.37 0.00 0.00 175.52 176.37 2ayx h SER 725 N 0.49 0.43 0.20 4.18 0.02 -1.05 0.63 113.55 118.45 2ayx h SER 725 Ca 0.03 -0.14 -0.29 0.00 -0.84 0.00 0.00 61.79 60.55 2ayx h SER 725 Cb 1.01 -0.12 0.03 0.00 0.14 0.00 0.00 62.40 63.45 2ayx h SER 725 CO 0.09 0.67 -1.33 -0.07 -1.14 0.00 0.00 176.83 175.05 2ayx h LEU 726 N 0.39 0.66 -2.11 5.07 4.07 -1.25 -3.24 115.31 118.90 2ayx h LEU 726 Ca 0.06 -0.93 -0.01 0.00 0.08 0.00 0.00 57.88 57.08 2ayx h LEU 726 Cb 0.63 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 42.15 2ayx h LEU 726 CO 0.04 1.63 -0.04 0.06 -1.08 0.00 0.00 178.44 179.05 2ayx h GLN 727 N -0.05 0.00 0.00 1.13 3.07 -0.76 0.13 115.11 118.63 2ayx h GLN 727 Ca -0.25 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.49 2ayx h GLN 727 Cb 1.97 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.53 2ayx h GLN 727 CO 0.20 0.04 -0.02 -0.09 0.09 0.00 0.00 178.83 179.06 2ayx h ARG 728 N 0.00 0.00 -0.22 0.06 2.43 -0.89 -1.59 114.38 114.18 2ayx h ARG 728 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2ayx h ARG 728 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2ayx h ARG 728 CO 0.01 0.02 0.00 0.43 -1.51 0.00 0.00 179.97 178.91 2ayx n SER 729 N -4.04 2.71 0.00 -3.80 7.64 -0.12 -4.95 113.62 111.07 2ayx n SER 729 Ca -0.03 -1.80 0.00 0.00 1.01 0.00 0.00 58.87 58.06 2ayx n SER 729 Cb 0.10 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 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 0.88 0.26 3.62 0.23 0.00 -0.60 -1.91 105.19 107.67 2ayx n GLY 730 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.04 4.08 0.12 -0.61 1.01 -0.33 -2.96 121.20 120.47 2ayx s ILE 731 Ca 0.00 1.19 -0.30 0.00 0.00 0.00 0.00 60.65 61.54 2ayx s ILE 731 Cb 0.00 -4.17 -0.06 0.00 0.01 0.00 0.00 42.46 38.24 2ayx s ILE 731 CO 0.00 -0.55 1.09 0.68 0.00 0.00 0.00 174.94 176.16 2ayx s VAL 732 N 4.64 4.10 -0.09 2.92 -7.23 0.01 -2.53 120.40 122.22 2ayx s VAL 732 Ca 0.58 1.69 -0.10 0.00 -1.81 0.00 0.00 61.98 62.34 2ayx s VAL 732 Cb -0.16 -4.08 -0.05 0.00 0.56 0.00 0.00 36.38 32.65 2ayx s VAL 732 CO 0.26 0.23 0.24 0.54 -0.31 0.00 0.00 175.10 176.06 2ayx s VAL 733 N 0.23 5.34 -0.02 1.32 0.11 -1.26 -0.78 120.40 125.33 2ayx s VAL 733 Ca 0.51 0.43 0.02 0.00 -2.93 0.00 0.00 61.98 60.02 2ayx s VAL 733 Cb -0.28 -3.52 0.01 0.00 -1.53 0.00 0.00 36.38 31.06 2ayx s VAL 733 CO 0.32 0.58 -0.07 -0.89 -3.33 0.00 0.00 175.10 171.72 2ayx s THR 734 N -0.88 0.60 -0.05 5.04 2.01 0.31 -4.93 115.64 117.74 2ayx s THR 734 Ca 0.18 -0.25 -0.30 0.00 0.31 0.00 0.00 61.69 61.63 2ayx s THR 734 Cb -0.14 -0.55 -0.06 0.00 0.01 0.00 0.00 72.50 71.76 2ayx s THR 734 CO 0.07 0.20 1.80 -0.89 -0.69 0.00 0.00 174.62 175.11 2ayx s THR 735 N 0.30 3.35 -0.86 -0.82 2.01 -1.26 -1.26 115.64 117.12 2ayx s THR 735 Ca -0.04 0.42 -0.24 0.00 0.31 0.00 0.00 61.69 62.14 2ayx s THR 735 Cb -0.08 -3.29 0.06 0.00 0.01 0.00 0.00 72.50 69.19 2ayx s THR 735 CO 0.00 -0.06 1.27 -0.47 -0.69 0.00 0.00 174.62 174.68 2ayx s TYR 736 N 4.60 2.54 0.00 4.92 5.04 0.03 -4.73 117.35 129.76 2ayx s TYR 736 Ca 0.80 -0.59 0.00 0.00 -2.44 0.00 0.00 57.07 54.84 2ayx s TYR 736 Cb -0.36 -4.56 0.00 0.00 0.35 0.00 0.00 41.96 37.39 2ayx s TYR 736 CO 0.34 -1.89 0.00 0.39 -1.34 0.00 0.00 175.55 173.06 2ayx n GLU 737 N 8.57 0.00 -3.71 4.97 4.71 -1.26 -4.69 120.64 129.24 2ayx n GLU 737 Ca 0.16 0.00 -0.30 0.00 -0.01 0.00 0.00 57.16 57.01 2ayx n GLU 737 Cb 0.49 -0.27 -0.13 0.00 -1.01 0.00 0.00 31.44 30.52 2ayx n GLU 737 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2ayx s GLY 738 N -2.87 1.57 0.15 0.62 0.00 -1.26 -5.10 107.32 100.43 2ayx s GLY 738 Ca 0.00 -2.45 -0.10 0.00 0.00 0.00 0.00 44.72 42.17 2ayx s GLY 738 CO 0.00 1.56 0.29 1.20 0.00 0.00 0.00 173.10 176.15 2ayx s GLN 739 N 0.55 1.12 0.21 2.90 1.11 -1.26 -5.15 119.66 119.14 2ayx s GLN 739 Ca 0.17 -1.11 -0.30 0.00 0.01 0.00 0.00 55.36 54.13 2ayx s GLN 739 Cb -0.24 0.38 -0.08 0.00 -1.01 0.00 0.00 33.01 32.07 2ayx s GLN 739 CO -0.02 -0.41 0.97 -1.21 0.01 0.00 0.00 175.29 174.62 2ayx s GLU 740 N -3.94 4.79 -0.13 2.91 2.02 -1.26 -5.03 118.70 118.05 2ayx s GLU 740 Ca 0.14 1.52 -0.22 0.00 0.02 0.00 0.00 54.97 56.43 2ayx s GLU 740 Cb 0.03 -3.30 -0.03 0.00 0.10 0.00 0.00 34.13 30.94 2ayx s GLU 740 CO -0.02 0.40 0.68 -1.25 0.02 0.00 0.00 175.26 175.09 2ayx s PRO 741 N -0.88 4.33 -0.14 0.39 0.05 -1.26 -5.07 135.00 132.42 2ayx s PRO 741 Ca 0.43 0.78 -0.05 0.00 0.05 0.00 0.00 61.00 62.21 2ayx s PRO 741 Cb -0.26 -3.51 -0.04 0.00 0.05 0.00 0.00 34.50 30.74 2ayx s PRO 741 CO 0.32 -0.10 0.05 0.99 0.05 0.00 0.00 177.00 178.31 2ayx s THR 742 N 1.41 4.66 0.08 1.26 2.01 -1.26 -4.81 115.64 118.99 2ayx s THR 742 Ca 0.34 -0.09 0.30 0.00 0.31 0.00 0.00 61.69 62.55 2ayx s THR 742 Cb -0.17 -3.04 0.31 0.00 0.01 0.00 0.00 72.50 69.61 2ayx s THR 742 CO 0.14 0.53 1.93 1.55 -0.69 0.00 0.00 174.62 178.08 2ayx h PRO 743 N 5.95 0.00 -0.53 4.92 0.13 -1.87 0.35 132.00 140.95 2ayx h PRO 743 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2ayx h PRO 743 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2ayx h PRO 743 CO 0.63 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.79 2ayx n GLU 744 N -2.59 3.01 -4.26 0.86 4.71 -1.26 -1.10 120.64 120.02 2ayx n GLU 744 Ca -0.01 -2.49 -0.23 0.00 -0.01 0.00 0.00 57.16 54.42 2ayx n GLU 744 Cb 0.09 -1.54 -0.07 0.00 -1.01 0.00 0.00 31.44 28.91 2ayx n GLU 744 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2ayx s ASP 745 N -1.06 4.74 0.00 1.62 1.01 0.11 -4.81 116.67 118.28 2ayx s ASP 745 Ca 0.39 -0.56 0.07 0.00 0.71 0.00 0.00 52.55 53.15 2ayx s ASP 745 Cb 0.23 -0.96 -0.02 0.00 1.01 0.00 0.00 42.92 43.18 2ayx s ASP 745 CO 0.23 -0.00 -0.21 0.54 0.21 0.00 0.00 175.17 175.93 2ayx s VAL 746 N -2.27 1.66 -0.01 -1.27 0.11 -1.26 -1.39 120.40 115.96 2ayx s VAL 746 Ca 0.32 -0.98 0.07 0.00 -2.93 0.00 0.00 61.98 58.45 2ayx s VAL 746 Cb -0.07 -1.40 -0.02 0.00 -1.53 0.00 0.00 36.38 33.36 2ayx s VAL 746 CO 0.21 0.39 -0.21 -0.22 -3.33 0.00 0.00 175.10 171.94 2ayx s LEU 747 N -0.69 2.37 -0.16 2.54 0.20 -0.06 -1.32 118.68 121.55 2ayx s LEU 747 Ca 0.08 -0.39 0.01 0.00 0.69 0.00 0.00 54.13 54.52 2ayx s LEU 747 Cb -0.08 -1.43 0.02 0.00 -0.43 0.00 0.00 46.19 44.27 2ayx s LEU 747 CO -0.00 0.31 -0.18 -0.63 -0.29 0.00 0.00 176.35 175.56 2ayx s ILE 748 N -0.73 1.87 0.13 6.68 -1.09 -0.01 -0.33 121.20 127.74 2ayx s ILE 748 Ca 0.11 -0.83 0.11 0.00 -2.23 0.00 0.00 60.65 57.81 2ayx s ILE 748 Cb -0.10 -1.70 -0.04 0.00 -1.58 0.00 0.00 42.46 39.03 2ayx s ILE 748 CO 0.01 0.51 -0.25 0.42 -1.23 0.00 0.00 174.94 174.40 2ayx s THR 749 N 1.28 2.38 -0.33 2.92 -4.23 -0.04 -0.43 115.64 117.19 2ayx s THR 749 Ca 0.03 -1.74 -0.07 0.00 -1.18 0.00 0.00 61.69 58.73 2ayx s THR 749 Cb -0.13 -2.07 0.03 0.00 1.34 0.00 0.00 72.50 71.66 2ayx s THR 749 CO -0.10 0.07 0.10 -0.62 -0.54 0.00 0.00 174.62 173.53 2ayx s ASP 750 N -2.14 5.28 0.94 3.99 -1.08 -0.80 -0.87 116.67 121.98 2ayx s ASP 750 Ca 0.15 -0.99 0.00 0.00 -0.52 0.00 0.00 52.55 51.19 2ayx s ASP 750 Cb -0.10 -1.88 0.00 0.00 -1.46 0.00 0.00 42.92 39.48 2ayx s ASP 750 CO 0.07 -0.29 0.00 -0.62 0.52 0.00 0.00 175.17 174.85 2ayx n GLU 751 N 4.84 0.00 -3.00 4.34 -0.58 0.37 -4.69 120.64 121.92 2ayx n GLU 751 Ca -0.13 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.21 2ayx n GLU 751 Cb 0.46 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.28 2ayx n GLU 751 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2ayx s VAL 752 N 0.00 5.02 0.27 2.62 1.01 -1.26 -4.70 120.40 123.36 2ayx s VAL 752 Ca 0.00 1.52 0.12 0.00 0.00 0.00 0.00 61.98 63.62 2ayx s VAL 752 Cb 0.00 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 2ayx s VAL 752 CO 0.00 0.23 -0.20 -0.69 0.00 0.00 0.00 175.10 174.45 2ayx s VAL 753 N 0.88 2.39 0.00 2.92 1.01 -1.26 -5.01 120.40 121.32 2ayx s VAL 753 Ca 0.39 -2.36 0.00 0.00 0.00 0.00 0.00 61.98 60.01 2ayx s VAL 753 Cb -0.18 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 33.94 2ayx s VAL 753 CO 0.19 -0.40 1.77 -1.20 0.00 0.00 0.00 175.10 175.46 2ayx n SER 754 N -0.53 4.81 -1.84 3.32 7.64 -1.26 -4.76 113.62 121.00 2ayx n SER 754 Ca -0.06 -2.31 -0.04 0.00 1.01 0.00 0.00 58.87 57.47 2ayx n SER 754 Cb 0.60 -0.99 0.01 0.00 -1.01 0.00 0.00 64.21 62.82 2ayx n SER 754 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2ayx n LYS 755 N 1.30 0.52 0.04 1.43 5.02 -1.26 -5.11 118.16 120.10 2ayx n LYS 755 Ca 0.00 -1.06 0.00 0.00 -2.02 0.00 0.00 58.31 55.23 2ayx n LYS 755 Cb 0.49 1.31 0.00 0.00 -0.02 0.00 0.00 35.03 36.81 2ayx n LYS 755 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2ayx n LYS 756 N -0.25 0.00 0.00 1.97 5.02 -1.26 -5.08 118.16 118.56 2ayx n LYS 756 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 2ayx n LYS 756 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.29 2ayx n LYS 756 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 2ayx n TRP 757 N -2.74 0.00 -2.67 2.13 -0.00 -1.26 -4.87 117.44 108.02 2ayx n TRP 757 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.50 57.42 2ayx n TRP 757 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 31.31 31.37 2ayx n TRP 757 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73 2ayx n GLN 758 N -1.12 1.16 0.00 5.87 1.13 -1.26 -5.11 117.38 118.06 2ayx n GLN 758 Ca 0.00 -2.77 0.00 0.00 -1.94 0.00 0.00 57.00 52.29 2ayx n GLN 758 Cb 0.00 -0.84 0.00 0.00 0.11 0.00 0.00 30.24 29.51 2ayx n GLN 758 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2ayx n GLY 759 N -0.24 4.57 0.39 1.08 0.00 -1.26 -3.72 105.19 106.00 2ayx n GLY 759 Ca 0.05 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.93 -1.88 1.61 2.43 0.12 -3.44 114.38 112.30 2ayx h ARG 760 Ca 0.00 0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2ayx h ARG 760 Cb 0.00 0.21 -0.21 0.00 -0.42 0.00 0.00 29.97 29.55 2ayx h ARG 760 CO 0.00 -0.62 0.27 0.00 -1.51 0.00 0.00 179.97 178.11 2ayx s ALA 761 N -5.04 -1.82 -0.12 2.80 0.00 -1.21 -4.24 121.76 112.13 2ayx s ALA 761 Ca -0.14 1.61 0.01 0.00 0.00 0.00 0.00 51.96 53.44 2ayx s ALA 761 Cb 0.01 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.57 2ayx s ALA 761 CO 0.42 -0.34 -0.13 0.54 0.00 0.00 0.00 175.76 176.26 2ayx s VAL 762 N -0.62 1.35 -0.64 0.00 0.11 0.43 -0.88 120.40 120.15 2ayx s VAL 762 Ca -0.05 -0.53 -0.13 0.00 -2.93 0.00 0.00 61.98 58.34 2ayx s VAL 762 Cb -0.02 -1.28 0.16 0.00 -1.53 0.00 0.00 36.38 33.72 2ayx s VAL 762 CO 0.04 0.42 0.57 -0.69 -3.33 0.00 0.00 175.10 172.11 2ayx s VAL 763 N 1.28 5.08 -0.23 2.04 1.01 0.55 -0.96 120.40 129.19 2ayx s VAL 763 Ca -0.01 -2.02 -0.18 0.00 0.00 0.00 0.00 61.98 59.76 2ayx s VAL 763 Cb -0.14 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 2ayx s VAL 763 CO -0.05 -0.91 0.51 -0.89 0.00 0.00 0.00 175.10 173.75 2ayx s THR 764 N 0.89 5.10 -0.52 3.92 2.01 0.15 -0.86 115.64 126.33 2ayx s THR 764 Ca 0.10 0.91 -0.16 0.00 0.31 0.00 0.00 61.69 62.85 2ayx s THR 764 Cb -0.21 -3.83 0.11 0.00 0.01 0.00 0.00 72.50 68.58 2ayx s THR 764 CO -0.03 0.14 0.49 -0.36 -0.69 0.00 0.00 174.62 174.18 2ayx s PHE 765 N 1.89 3.22 -0.06 4.92 0.08 -0.05 -2.34 117.98 125.64 2ayx s PHE 765 Ca 0.22 -1.14 0.04 0.00 0.12 0.00 0.00 56.93 56.18 2ayx s PHE 765 Cb -0.15 -3.63 -0.00 0.00 -0.57 0.00 0.00 43.02 38.66 2ayx s PHE 765 CO 0.09 -0.98 -0.20 0.00 -0.10 0.00 0.00 175.22 174.03 2ayx n ARG 767 N 3.25 0.00 -0.08 0.00 0.00 -1.26 -3.43 116.66 115.14 2ayx n ARG 767 Ca -0.19 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.52 2ayx n ARG 767 Cb 0.53 -0.50 -0.09 0.00 -0.00 0.00 0.00 32.46 32.40 2ayx n ARG 767 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 2ayx h ARG 768 N 0.00 0.00 -4.74 2.89 2.43 -2.01 -3.45 114.38 109.50 2ayx h ARG 768 Ca 0.00 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.58 2ayx h ARG 768 Cb 0.00 0.00 -0.35 0.00 -0.42 0.00 0.00 29.97 29.20 2ayx h ARG 768 CO 0.00 0.75 -0.84 -1.58 -1.51 0.00 0.00 179.97 176.79 2ayx s HIS 769 N -2.19 2.00 -0.69 2.20 2.46 -1.26 -5.08 115.29 112.72 2ayx s HIS 769 Ca -0.20 -0.96 0.01 0.00 0.47 0.00 0.00 55.06 54.38 2ayx s HIS 769 Cb 0.01 -1.44 0.17 0.00 -0.13 0.00 0.00 32.58 31.19 2ayx s HIS 769 CO 0.51 -0.50 0.50 0.42 -2.47 0.00 0.00 174.74 173.20 2ayx s ILE 770 N 1.03 3.45 -1.56 0.89 1.01 -1.26 -4.15 121.20 120.61 2ayx s ILE 770 Ca -0.06 -3.59 0.25 0.00 0.00 0.00 0.00 60.65 57.26 2ayx s ILE 770 Cb -0.15 -3.24 0.13 0.00 0.01 0.00 0.00 42.46 39.21 2ayx s ILE 770 CO -0.02 -0.95 1.41 0.61 0.00 0.00 0.00 174.94 175.99 2ayx n GLY 771 N 2.74 -0.70 3.66 6.18 0.00 -1.26 -4.84 105.19 110.98 2ayx n GLY 771 Ca 0.14 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.65 4.83 0.00 -0.61 -1.09 -1.26 -5.07 121.20 115.34 2ayx s ILE 772 Ca 0.19 -0.02 0.00 0.00 -2.23 0.00 0.00 60.65 58.59 2ayx s ILE 772 Cb 0.18 -3.16 0.00 0.00 -1.58 0.00 0.00 42.46 37.90 2ayx s ILE 772 CO 0.60 0.48 0.00 -2.65 -1.23 0.00 0.00 174.94 172.14 2ayx n PRO 773 N 3.33 0.00 -3.63 2.79 -0.02 -1.26 -4.97 135.00 131.24 2ayx n PRO 773 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2ayx n PRO 773 Cb 0.52 -0.29 0.00 0.00 -0.02 0.00 0.00 33.50 33.71 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 0.00 0.00 -3.51 2.45 -0.00 -1.26 -4.68 117.00 110.00 2ayx n LEU 774 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.58 2ayx n LEU 774 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 2ayx n LEU 774 CO 0.00 0.00 1.64 -0.62 -0.00 0.00 0.00 177.39 178.41 2ayx n GLU 775 N 0.00 0.42 0.00 1.47 4.71 -0.56 -3.50 120.64 123.19 2ayx n GLU 775 Ca 0.00 -1.21 0.00 0.00 -0.01 0.00 0.00 57.16 55.94 2ayx n GLU 775 Cb 0.00 -2.59 0.00 0.00 -1.01 0.00 0.00 31.44 27.84 2ayx n GLU 775 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 2ayx n LYS 776 N 7.57 -0.07 -4.23 3.49 2.85 -1.26 -5.05 118.16 121.46 2ayx n LYS 776 Ca 0.46 -0.17 -0.15 0.00 -1.05 0.00 0.00 58.31 57.41 2ayx n LYS 776 Cb 0.40 -0.63 -0.10 0.00 -0.65 0.00 0.00 35.03 34.04 2ayx n LYS 776 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2ayx s ALA 777 N -0.04 1.39 -0.51 0.58 0.00 -1.23 -5.07 121.76 116.87 2ayx s ALA 777 Ca 0.00 -1.40 -0.26 0.00 0.00 0.00 0.00 51.96 50.30 2ayx s ALA 777 Cb 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 23.12 23.09 2ayx s ALA 777 CO 0.00 -0.06 2.33 -1.25 0.00 0.00 0.00 175.76 176.78 2ayx s PRO 778 N -3.41 2.17 0.00 0.00 0.04 -1.26 -2.02 135.00 130.51 2ayx s PRO 778 Ca 0.13 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.45 2ayx s PRO 778 Cb 0.00 -4.56 0.00 0.00 0.04 0.00 0.00 34.50 29.99 2ayx s PRO 778 CO 0.01 -3.21 0.00 0.41 0.04 0.00 0.00 177.00 174.24 2ayx n GLY 779 N 5.96 0.84 3.61 0.56 0.00 -1.26 -4.86 105.19 110.04 2ayx n GLY 779 Ca 0.34 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 2ayx n GLY 779 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ayx s GLU 780 N -0.64 3.99 -0.09 1.61 2.12 -0.86 -0.43 118.70 124.41 2ayx s GLU 780 Ca 0.00 -0.30 0.01 0.00 0.36 0.00 0.00 54.97 55.03 2ayx s GLU 780 Cb 0.00 -3.61 0.02 0.00 0.26 0.00 0.00 34.13 30.80 2ayx s GLU 780 CO 0.00 -0.09 -0.09 -1.58 -0.54 0.00 0.00 175.26 172.95 2ayx s TRP 781 N 1.51 1.46 -0.02 5.30 0.52 -0.13 -1.50 118.94 126.07 2ayx s TRP 781 Ca 0.07 -0.65 -0.01 0.00 0.02 0.00 0.00 56.10 55.53 2ayx s TRP 781 Cb -0.15 -1.15 0.01 0.00 -1.15 0.00 0.00 33.47 31.03 2ayx s TRP 781 CO 0.09 -0.41 0.05 0.08 0.02 0.00 0.00 176.95 176.77 2ayx s VAL 782 N 1.27 -0.02 -0.02 4.03 1.01 -1.26 -0.67 120.40 124.74 2ayx s VAL 782 Ca -0.03 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 2ayx s VAL 782 Cb -0.14 -0.09 0.11 0.00 0.00 0.00 0.00 36.38 36.26 2ayx s VAL 782 CO -0.03 0.03 1.29 -2.28 0.00 0.00 0.00 175.10 174.11 2ayx s HIS 783 N 0.42 -0.00 -0.55 5.22 2.46 -0.99 -4.79 115.29 117.06 2ayx s HIS 783 Ca -0.03 -0.11 -0.17 0.00 0.47 0.00 0.00 55.06 55.22 2ayx s HIS 783 Cb -0.05 0.55 0.12 0.00 -0.13 0.00 0.00 32.58 33.07 2ayx s HIS 783 CO -0.01 -0.27 0.55 -1.12 -2.47 0.00 0.00 174.74 171.42 2ayx s SER 784 N -3.39 6.19 -0.00 9.88 0.01 -1.22 -2.01 113.70 123.15 2ayx s SER 784 Ca 0.22 -1.64 0.01 0.00 1.31 0.00 0.00 55.95 55.84 2ayx s SER 784 Cb 0.02 -2.24 -0.00 0.00 0.21 0.00 0.00 66.02 64.02 2ayx s SER 784 CO -0.02 -0.92 -0.02 -0.69 0.41 0.00 0.00 173.24 172.00 2ayx s VAL 785 N 1.93 0.16 -1.64 3.43 1.01 -1.26 -5.02 120.40 119.00 2ayx s VAL 785 Ca 0.06 -0.12 0.11 0.00 0.00 0.00 0.00 61.98 62.02 2ayx s VAL 785 Cb -0.28 -0.15 0.36 0.00 0.00 0.00 0.00 36.38 36.31 2ayx s VAL 785 CO 0.04 0.03 1.25 0.00 0.00 0.00 0.00 175.10 176.41 2ayx n ALA 786 N 2.97 2.64 -3.56 5.51 0.00 -1.26 -4.94 120.51 121.88 2ayx n ALA 786 Ca -0.13 -0.75 -0.24 0.00 0.00 0.00 0.00 53.44 52.32 2ayx n ALA 786 Cb 0.59 -0.99 0.05 0.00 0.00 0.00 0.00 19.45 19.10 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 0.54 -2.41 0.30 0.00 0.00 -1.26 -4.65 120.51 113.04 2ayx n ALA 787 Ca 0.13 -0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.31 2ayx n ALA 787 Cb 0.43 -4.13 -0.08 0.00 0.00 0.00 0.00 19.45 15.67 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 -1.65 -0.76 0.00 0.00 0.11 -1.98 -3.46 132.00 124.25 2ayx h PRO 788 Ca -0.64 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.53 2ayx h PRO 788 Cb 1.35 0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.63 2ayx h PRO 788 CO 0.49 -0.45 0.00 -2.39 -0.21 0.00 0.00 178.00 175.44 2ayx n HIS 789 N -5.34 0.00 0.07 0.65 1.44 -1.26 -4.96 115.22 105.82 2ayx n HIS 789 Ca -0.12 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.52 2ayx n HIS 789 Cb 0.34 0.00 0.07 0.00 0.12 0.00 0.00 29.99 30.52 2ayx n HIS 789 CO 0.00 0.00 0.00 1.05 -2.81 0.00 0.00 176.34 174.58 2ayx h GLU 790 N 0.00 0.29 0.12 -1.40 9.09 -1.97 -2.71 114.58 117.99 2ayx h GLU 790 Ca 0.00 -0.23 -0.01 0.00 0.05 0.00 0.00 59.36 59.18 2ayx h GLU 790 Cb 0.00 0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.15 2ayx h GLU 790 CO 0.00 0.87 -0.06 1.25 0.05 0.00 0.00 179.01 181.12 2ayx h LEU 791 N 0.20 -0.13 -1.92 3.06 7.12 -1.93 -0.09 115.31 121.62 2ayx h LEU 791 Ca -0.02 -0.41 0.09 0.00 0.13 0.00 0.00 57.88 57.68 2ayx h LEU 791 Cb 1.23 0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 41.38 2ayx h LEU 791 CO 0.11 0.39 0.27 1.55 -0.13 0.00 0.00 178.44 180.63 2ayx h PRO 792 N -0.71 0.09 -0.31 5.25 0.13 -1.90 -0.47 132.00 134.08 2ayx h PRO 792 Ca -0.02 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 64.98 2ayx h PRO 792 Cb 0.53 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.64 2ayx h PRO 792 CO 0.03 0.06 -0.29 0.00 -0.23 0.00 0.00 178.00 177.56 2ayx h ALA 793 N 1.81 0.45 -0.73 -0.56 0.00 -1.38 -2.37 119.26 116.48 2ayx h ALA 793 Ca 0.18 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2ayx h ALA 793 Cb 0.60 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2ayx h ALA 793 CO -0.02 0.47 0.46 1.25 0.00 0.00 0.00 179.25 181.42 2ayx h LEU 794 N 0.50 0.86 -1.09 0.00 5.85 0.47 -1.92 115.31 119.97 2ayx h LEU 794 Ca 0.05 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 2ayx h LEU 794 Cb 0.87 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 2ayx h LEU 794 CO 0.07 0.64 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.73 2ayx h LEU 795 N 0.99 0.58 -0.91 2.25 -0.00 -1.11 0.43 115.31 117.54 2ayx h LEU 795 Ca 0.26 -0.13 -0.05 0.00 -0.00 0.00 0.00 57.88 57.96 2ayx h LEU 795 Cb -0.07 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 40.40 2ayx h LEU 795 CO -0.05 0.67 0.20 0.00 -0.00 0.00 0.00 178.44 179.26 2ayx h ALA 796 N 1.40 1.12 -0.08 1.53 0.00 -0.87 -1.97 119.26 120.39 2ayx h ALA 796 Ca 0.12 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 2ayx h ALA 796 Cb 0.40 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2ayx h ALA 796 CO 0.02 0.60 -0.58 0.07 0.00 0.00 0.00 179.25 179.36 2ayx h ARG 797 N 0.97 0.27 -0.51 0.00 -0.00 -0.69 -2.48 114.38 111.93 2ayx h ARG 797 Ca 0.21 -0.18 -0.02 0.00 -0.00 0.00 0.00 59.98 60.00 2ayx h ARG 797 Cb 0.28 0.02 -0.02 0.00 -0.00 0.00 0.00 29.97 30.25 2ayx h ARG 797 CO -0.01 0.77 0.25 0.82 -0.00 0.00 0.00 179.97 181.80 2ayx h ILE 798 N 0.20 1.17 -0.71 0.08 5.03 -0.17 -0.62 117.51 122.49 2ayx h ILE 798 Ca -0.00 -0.46 -0.32 0.00 -0.12 0.00 0.00 64.86 63.96 2ayx h ILE 798 Cb 1.07 0.51 -0.19 0.00 -3.03 0.00 0.00 36.82 35.18 2ayx h ILE 798 CO 0.09 0.19 0.32 0.00 -0.68 0.00 0.00 178.15 178.07 2ayx n TYR 799 N -4.39 2.22 -4.03 1.37 4.19 -1.04 -4.97 117.16 110.52 2ayx n TYR 799 Ca 0.04 -1.58 -0.28 0.00 3.31 0.00 0.00 57.90 59.40 2ayx n TYR 799 Cb 0.12 -0.72 -0.04 0.00 0.49 0.00 0.00 39.34 39.19 2ayx n TYR 799 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 2ayx n LEU 800 N -0.89 -1.89 -4.56 2.98 4.32 -0.24 -4.82 117.00 111.91 2ayx n LEU 800 Ca 0.46 -1.08 -0.39 0.00 -0.02 0.00 0.00 56.01 54.97 2ayx n LEU 800 Cb 1.38 -2.06 -0.02 0.00 -1.62 0.00 0.00 43.42 41.10 2ayx n LEU 800 CO 0.42 0.46 1.87 -0.38 -1.22 0.00 0.00 177.39 178.54 2ayx n ILE 801 N -4.46 3.39 -1.27 -0.08 5.41 -0.94 -4.82 119.36 116.59 2ayx n ILE 801 Ca -0.30 -3.51 -0.22 0.00 1.00 0.00 0.00 62.75 59.72 2ayx n ILE 801 Cb 0.68 -2.31 -0.11 0.00 -0.71 0.00 0.00 39.64 37.20 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 8.31 2.47 0.10 0.38 -0.58 -1.26 -4.33 120.64 125.72 2ayx n GLU 802 Ca 0.48 -1.76 -0.05 0.00 -0.42 0.00 0.00 57.16 55.41 2ayx n GLU 802 Cb 0.46 -2.16 -0.02 0.00 -0.57 0.00 0.00 31.44 29.14 2ayx n GLU 802 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 2ayx h MET 803 N 3.28 -0.30 -5.74 3.49 4.05 -1.99 -3.48 114.93 114.23 2ayx h MET 803 Ca 0.36 0.02 -0.30 0.00 -0.28 0.00 0.00 59.70 59.50 2ayx h MET 803 Cb 1.04 0.07 0.14 0.00 -0.80 0.00 0.00 31.60 32.05 2ayx h MET 803 CO 0.68 -0.20 -0.82 -1.91 0.23 0.00 0.00 176.91 174.89 2ayx n GLU 804 N -4.09 -1.79 -0.54 0.39 0.00 -1.26 -4.85 120.64 108.49 2ayx n GLU 804 Ca -0.04 0.77 -0.06 0.00 0.00 0.00 0.00 57.16 57.84 2ayx n GLU 804 Cb 0.12 -5.15 0.02 0.00 0.00 0.00 0.00 31.44 26.43 2ayx n GLU 804 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2ayx n SER 805 N -2.90 5.14 -3.57 4.31 3.41 -1.26 -4.69 113.62 114.06 2ayx n SER 805 Ca -0.08 -2.56 -0.25 0.00 -0.26 0.00 0.00 58.87 55.72 2ayx n SER 805 Cb 0.60 -0.98 0.05 0.00 -0.26 0.00 0.00 64.21 63.62 2ayx n SER 805 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2ayx n ASP 806 N 0.88 -4.88 -4.65 4.04 2.03 -1.26 -4.86 116.55 107.85 2ayx n ASP 806 Ca 0.11 -0.90 -0.42 0.00 0.52 0.00 0.00 54.79 54.10 2ayx n ASP 806 Cb 0.57 -4.01 -0.03 0.00 -0.72 0.00 0.00 41.12 36.93 2ayx n ASP 806 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2ayx s ASP 807 N -3.62 6.54 0.66 1.67 -1.08 -1.26 -5.00 116.67 114.58 2ayx s ASP 807 Ca 0.38 2.14 0.00 0.00 -0.52 0.00 0.00 52.55 54.55 2ayx s ASP 807 Cb -0.11 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.82 2ayx s ASP 807 CO 0.82 -1.04 0.00 -2.65 0.52 0.00 0.00 175.17 172.82 2ayx n PRO 808 N 7.33 -0.35 0.00 4.34 -0.02 -1.26 -4.22 135.00 140.83 2ayx n PRO 808 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2ayx n PRO 808 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.91 2ayx n PRO 808 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ayx n ALA 809 N -3.00 0.00 -2.55 3.55 0.00 -1.26 -4.81 120.51 112.44 2ayx n ALA 809 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2ayx n ALA 809 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 0.00 6.68 -0.41 0.00 2.47 -1.26 -4.70 114.94 117.73 2ayx s ASN 810 Ca 0.00 -2.23 0.06 0.00 0.42 0.00 0.00 52.86 51.11 2ayx s ASN 810 Cb 0.00 -2.58 0.67 0.00 -1.45 0.00 0.00 41.25 37.89 2ayx s ASN 810 CO 0.00 -1.33 1.85 0.00 -3.72 0.00 0.00 177.10 173.90 2ayx n ALA 811 N 8.81 5.26 -3.48 1.71 0.00 -1.26 -4.63 120.51 126.92 2ayx n ALA 811 Ca 0.46 -2.80 -0.27 0.00 0.00 0.00 0.00 53.44 50.83 2ayx n ALA 811 Cb 0.47 -1.34 -0.09 0.00 0.00 0.00 0.00 19.45 18.49 2ayx n ALA 811 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ayx n LEU 812 N -0.94 1.51 -0.23 0.00 4.32 -1.26 -4.95 117.00 115.45 2ayx n LEU 812 Ca 0.53 -4.90 0.00 0.00 -0.02 0.00 0.00 56.01 51.62 2ayx n LEU 812 Cb 1.56 -0.03 0.00 0.00 -1.62 0.00 0.00 43.42 43.32 2ayx n LEU 812 CO 0.53 1.93 0.28 -0.81 -1.22 0.00 0.00 177.39 178.10 2ayx n PRO 813 N 1.84 0.71 -0.02 3.23 -0.04 -1.26 -3.36 135.00 136.10 2ayx n PRO 813 Ca 0.25 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.79 2ayx n PRO 813 Cb 0.44 -1.16 0.44 0.00 -0.04 0.00 0.00 33.50 33.18 2ayx n PRO 813 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2ayx n SER 814 N -0.21 0.29 -2.52 3.54 7.64 -1.26 -4.31 113.62 116.78 2ayx n SER 814 Ca 0.00 -1.56 -0.23 0.00 1.01 0.00 0.00 58.87 58.09 2ayx n SER 814 Cb 0.08 -0.02 -0.11 0.00 -1.01 0.00 0.00 64.21 63.15 2ayx n SER 814 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2ayx n THR 815 N -0.55 3.54 -2.95 0.44 -2.24 -1.21 -4.92 114.28 106.39 2ayx n THR 815 Ca 0.12 -2.02 -0.40 0.00 -2.27 0.00 0.00 64.05 59.48 2ayx n THR 815 Cb 0.10 -2.20 -0.04 0.00 -2.10 0.00 0.00 70.33 66.08 2ayx n THR 815 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ayx s ASP 816 N 1.95 7.09 0.16 3.42 2.15 -1.26 -5.04 116.67 125.14 2ayx s ASP 816 Ca 0.67 1.31 -0.17 0.00 0.43 0.00 0.00 52.55 54.79 2ayx s ASP 816 Cb 0.27 -2.46 0.03 0.00 -0.30 0.00 0.00 42.92 40.47 2ayx s ASP 816 CO -0.03 -0.17 0.47 -0.75 -0.17 0.00 0.00 175.17 174.52 2ayx s LYS 817 N 0.93 1.23 -0.30 4.34 2.47 -1.26 -5.13 119.74 122.02 2ayx s LYS 817 Ca 0.41 -0.76 -0.27 0.00 -1.56 0.00 0.00 55.97 53.79 2ayx s LYS 817 Cb -0.19 0.50 0.01 0.00 -1.46 0.00 0.00 37.83 36.70 2ayx s LYS 817 CO 0.20 -0.50 0.96 0.00 0.16 0.00 0.00 175.35 176.17 2ayx s ALA 818 N -3.83 3.55 -1.15 3.13 0.00 -1.26 -4.97 121.76 117.23 2ayx s ALA 818 Ca 0.06 -0.15 -0.18 0.00 0.00 0.00 0.00 51.96 51.68 2ayx s ALA 818 Cb 0.00 -3.50 0.10 0.00 0.00 0.00 0.00 23.12 19.72 2ayx s ALA 818 CO -0.08 -1.29 1.50 0.08 0.00 0.00 0.00 175.76 175.97 2ayx s VAL 819 N 3.29 4.38 -0.31 0.00 1.01 -1.26 -4.67 120.40 122.85 2ayx s VAL 819 Ca 0.40 -1.74 0.15 0.00 0.00 0.00 0.00 61.98 60.79 2ayx s VAL 819 Cb -0.13 -5.03 0.70 0.00 0.00 0.00 0.00 36.38 31.92 2ayx s VAL 819 CO 0.12 -1.83 1.62 -1.20 0.00 0.00 0.00 175.10 173.81 2ayx n SER 820 N 7.59 4.97 -4.56 3.32 7.64 -1.26 -4.91 113.62 126.41 2ayx n SER 820 Ca 0.38 -2.91 -0.38 0.00 1.01 0.00 0.00 58.87 56.97 2ayx n SER 820 Cb 0.47 -0.62 -0.03 0.00 -1.01 0.00 0.00 64.21 63.02 2ayx n SER 820 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2ayx s ASP 821 N -1.21 5.99 -1.25 6.43 1.01 -1.26 -4.91 116.67 121.47 2ayx s ASP 821 Ca 0.49 -0.78 -0.11 0.00 0.71 0.00 0.00 52.55 52.86 2ayx s ASP 821 Cb 0.38 -2.56 0.17 0.00 1.01 0.00 0.00 42.92 41.92 2ayx s ASP 821 CO 0.14 -1.95 1.69 -3.20 0.21 0.00 0.00 175.17 172.06 2ayx n ASN 822 N 10.49 5.18 -3.09 0.27 5.15 -1.26 -4.75 115.26 127.26 2ayx n ASN 822 Ca 0.24 -3.07 -0.36 0.00 -0.60 0.00 0.00 54.58 50.79 2ayx n ASN 822 Cb 0.50 -1.51 0.01 0.00 -0.53 0.00 0.00 39.78 38.26 2ayx n ASN 822 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2ayx n ASP 823 N 4.45 6.54 -3.51 1.20 9.92 -1.26 -4.90 116.55 129.00 2ayx n ASP 823 Ca 0.38 -3.75 -0.40 0.00 -0.53 0.00 0.00 54.79 50.49 2ayx n ASP 823 Cb 0.39 -0.92 0.01 0.00 -0.64 0.00 0.00 41.12 39.95 2ayx n ASP 823 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2ayx n ASP 824 N -0.33 7.69 -4.09 -2.24 -0.08 -1.26 -4.85 116.55 111.39 2ayx n ASP 824 Ca 0.46 -3.40 -0.36 0.00 -1.51 0.00 0.00 54.79 49.97 2ayx n ASP 824 Cb 0.34 -1.26 -0.10 0.00 2.34 0.00 0.00 41.12 42.43 2ayx n ASP 824 CO 0.00 0.00 0.00 -0.32 0.12 0.00 0.00 177.20 177.00 2ayx s MET 825 N -2.66 2.41 -0.13 -0.67 1.75 -1.26 -5.05 119.30 113.68 2ayx s MET 825 Ca 0.48 -2.37 -0.00 0.00 -1.25 0.00 0.00 55.69 52.54 2ayx s MET 825 Cb 0.20 -3.68 -0.01 0.00 2.84 0.00 0.00 34.83 34.18 2ayx s MET 825 CO -0.12 -1.15 -0.13 0.00 -0.65 0.00 0.00 175.02 172.97 2ayx s MET 826 N 0.21 3.38 -0.03 4.11 0.23 -1.26 -2.32 119.30 123.62 2ayx s MET 826 Ca 0.15 -0.69 0.05 0.00 -1.03 0.00 0.00 55.69 54.17 2ayx s MET 826 Cb -0.21 -2.62 -0.01 0.00 -1.53 0.00 0.00 34.83 30.46 2ayx s MET 826 CO -0.03 0.21 -0.17 0.42 -2.03 0.00 0.00 175.02 173.41 2ayx s ILE 827 N 0.36 1.39 -0.02 3.16 1.01 0.05 -2.66 121.20 124.48 2ayx s ILE 827 Ca -0.11 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.82 2ayx s ILE 827 Cb -0.16 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 2ayx s ILE 827 CO 0.06 0.40 0.00 -1.48 0.00 0.00 0.00 174.94 173.92 2ayx s LEU 828 N -0.19 3.52 -0.13 2.97 2.34 -0.77 -1.12 118.68 125.30 2ayx s LEU 828 Ca 0.02 0.03 -0.00 0.00 0.06 0.00 0.00 54.13 54.23 2ayx s LEU 828 Cb -0.09 -1.97 0.03 0.00 -0.56 0.00 0.00 46.19 43.59 2ayx s LEU 828 CO 0.01 0.30 -0.09 0.54 -1.06 0.00 0.00 176.35 176.05 2ayx s VAL 829 N -1.04 1.19 -0.27 1.48 0.11 0.32 -0.74 120.40 121.46 2ayx s VAL 829 Ca 0.18 -0.41 0.02 0.00 -2.93 0.00 0.00 61.98 58.84 2ayx s VAL 829 Cb -0.11 -1.19 0.07 0.00 -1.53 0.00 0.00 36.38 33.62 2ayx s VAL 829 CO 0.08 0.38 -0.05 -0.69 -3.33 0.00 0.00 175.10 171.49 2ayx s VAL 830 N 1.64 1.90 0.17 2.04 1.01 0.24 -0.81 120.40 126.59 2ayx s VAL 830 Ca 0.05 -1.59 0.10 0.00 0.00 0.00 0.00 61.98 60.54 2ayx s VAL 830 Cb -0.13 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 2ayx s VAL 830 CO -0.09 -0.18 -0.20 -0.62 0.00 0.00 0.00 175.10 174.01 2ayx s ASP 831 N 1.20 3.67 0.11 3.32 2.15 -1.02 -1.36 116.67 124.74 2ayx s ASP 831 Ca -0.04 -0.75 -0.14 0.00 0.43 0.00 0.00 52.55 52.05 2ayx s ASP 831 Cb -0.19 -0.40 -0.06 0.00 -0.30 0.00 0.00 42.92 41.97 2ayx s ASP 831 CO -0.07 0.13 1.46 -0.78 -0.17 0.00 0.00 175.17 175.75 2ayx h ASP 832 N 3.28 0.78 -3.51 -0.34 1.82 -1.29 -3.36 116.42 113.80 2ayx h ASP 832 Ca -0.47 -0.43 -0.61 0.00 -0.39 0.00 0.00 57.03 55.12 2ayx h ASP 832 Cb 1.20 -0.22 -0.39 0.00 0.68 0.00 0.00 39.33 40.60 2ayx h ASP 832 CO 0.48 1.04 -0.76 -1.00 -1.61 0.00 0.00 179.24 177.39 2ayx s HIS 833 N -4.52 2.47 0.61 0.28 3.76 -1.26 -4.91 115.29 111.72 2ayx s HIS 833 Ca -0.12 -2.00 0.26 0.00 -0.15 0.00 0.00 55.06 53.05 2ayx s HIS 833 Cb 0.09 -1.90 0.93 0.00 1.11 0.00 0.00 32.58 32.81 2ayx s HIS 833 CO 0.83 -0.84 1.33 -1.00 -0.85 0.00 0.00 174.74 174.21 2ayx h PRO 834 N 7.92 0.00 -0.94 8.40 0.13 -1.90 -0.83 132.00 144.78 2ayx h PRO 834 Ca -0.13 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 2ayx h PRO 834 Cb 1.05 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.13 2ayx h PRO 834 CO 0.45 0.00 0.56 0.97 -0.23 0.00 0.00 178.00 179.75 2ayx h ILE 835 N 0.00 1.26 -0.07 -3.56 2.10 -1.95 -0.71 117.51 114.57 2ayx h ILE 835 Ca 0.47 -0.58 -0.20 0.00 1.08 0.00 0.00 64.86 65.62 2ayx h ILE 835 Cb 2.82 -0.06 0.01 0.00 -1.09 0.00 0.00 36.82 38.51 2ayx h ILE 835 CO -0.00 0.28 -0.75 -1.13 -1.08 0.00 0.00 178.15 175.46 2ayx h ASN 836 N 1.30 0.79 -0.36 2.19 -1.24 -1.57 -2.57 115.58 114.12 2ayx h ASN 836 Ca 0.34 -0.68 0.07 0.00 0.71 0.00 0.00 56.30 56.74 2ayx h ASN 836 Cb -0.04 -0.24 -0.07 0.00 0.73 0.00 0.00 38.32 38.70 2ayx h ASN 836 CO -0.06 1.36 -0.08 -0.09 -1.29 0.00 0.00 177.43 177.26 2ayx h ARG 837 N 0.29 0.01 -0.22 6.67 2.43 -1.61 0.11 114.38 122.07 2ayx h ARG 837 Ca -0.07 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.98 2ayx h ARG 837 Cb 1.41 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.94 2ayx h ARG 837 CO 0.15 0.00 -0.35 0.07 -1.51 0.00 0.00 179.97 178.34 2ayx h ARG 838 N 0.01 0.46 -0.03 0.20 -0.00 -1.16 -1.25 114.38 112.61 2ayx h ARG 838 Ca 0.17 -0.21 -0.01 0.00 -0.00 0.00 0.00 59.98 59.93 2ayx h ARG 838 Cb 0.26 -0.01 -0.00 0.00 -0.00 0.00 0.00 29.97 30.22 2ayx h ARG 838 CO -0.37 0.75 -0.03 1.25 -0.00 0.00 0.00 179.97 181.57 2ayx h LEU 839 N 0.39 0.09 -0.51 0.08 7.12 -0.93 -1.12 115.31 120.43 2ayx h LEU 839 Ca 0.04 -0.49 -0.16 0.00 0.13 0.00 0.00 57.88 57.40 2ayx h LEU 839 Cb 0.80 -0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 40.89 2ayx h LEU 839 CO 0.06 0.56 -0.74 0.17 -0.13 0.00 0.00 178.44 178.37 2ayx h LEU 840 N -0.39 0.14 -0.76 2.25 8.10 -1.03 -2.50 115.31 121.12 2ayx h LEU 840 Ca 0.00 -0.10 -0.12 0.00 0.11 0.00 0.00 57.88 57.78 2ayx h LEU 840 Cb 0.54 -0.04 -0.01 0.00 -0.44 0.00 0.00 40.66 40.71 2ayx h LEU 840 CO 0.01 0.82 -0.37 0.00 -4.11 0.00 0.00 178.44 174.79 2ayx h ALA 841 N 1.17 0.93 -0.52 0.17 0.00 -1.25 -0.18 119.26 119.59 2ayx h ALA 841 Ca -0.02 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 2ayx h ALA 841 Cb 1.30 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2ayx h ALA 841 CO 0.10 0.62 0.14 0.22 0.00 0.00 0.00 179.25 180.33 2ayx h ASP 842 N 0.43 0.74 -0.46 0.00 1.82 -1.04 -0.09 116.42 117.82 2ayx h ASP 842 Ca 0.04 -0.12 -0.14 0.00 -0.39 0.00 0.00 57.03 56.42 2ayx h ASP 842 Cb 0.84 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.65 2ayx h ASP 842 CO 0.07 0.72 -0.25 1.56 -1.61 0.00 0.00 179.24 179.73 2ayx h GLN 843 N 0.77 0.98 -0.67 0.28 1.08 -0.99 -1.91 115.11 114.64 2ayx h GLN 843 Ca 0.17 -0.43 0.02 0.00 -1.45 0.00 0.00 58.65 56.96 2ayx h GLN 843 Cb 0.27 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.64 2ayx h GLN 843 CO -0.00 1.11 0.43 1.25 -0.95 0.00 0.00 178.83 180.66 2ayx h LEU 844 N 0.84 0.72 -1.34 1.46 6.46 -0.44 -1.37 115.31 121.64 2ayx h LEU 844 Ca 0.10 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.83 2ayx h LEU 844 Cb 0.83 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.57 2ayx h LEU 844 CO 0.07 0.51 0.19 1.23 -0.62 0.00 0.00 178.44 179.82 2ayx h GLY 845 N 0.86 0.69 2.00 3.75 0.00 -0.84 -1.11 103.07 108.42 2ayx h GLY 845 Ca 0.26 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2ayx h GLY 845 CO -0.09 0.31 0.00 1.76 0.00 0.00 0.00 176.54 178.52 2ayx h SER 846 N 0.64 0.00 1.54 0.19 0.02 -0.47 -1.48 113.55 114.00 2ayx h SER 846 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2ayx h SER 846 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2ayx h SER 846 CO -0.02 0.00 -0.30 -0.07 -1.14 0.00 0.00 176.83 175.31 2ayx h LEU 847 N 0.00 0.00 -0.00 5.07 3.38 -0.23 -3.38 115.31 120.15 2ayx h LEU 847 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2ayx h LEU 847 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2ayx h LEU 847 CO 0.00 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.15 2ayx n GLY 848 N 1.19 1.10 3.49 0.83 0.00 -0.58 -4.77 105.19 106.44 2ayx n GLY 848 Ca 0.03 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 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 2.33 -0.47 1.61 2.02 -1.18 -4.85 117.35 114.82 2ayx s TYR 849 Ca 0.00 -0.33 -0.24 0.00 -0.37 0.00 0.00 57.07 56.13 2ayx s TYR 849 Cb 0.00 -1.02 0.03 0.00 -0.40 0.00 0.00 41.96 40.56 2ayx s TYR 849 CO 0.00 0.70 0.86 -1.14 -1.57 0.00 0.00 175.55 174.41 2ayx s GLN 850 N -3.53 3.45 0.22 -0.62 2.00 -0.98 -4.39 119.66 115.81 2ayx s GLN 850 Ca 0.30 -0.02 -0.06 0.00 -2.00 0.00 0.00 55.36 53.59 2ayx s GLN 850 Cb -0.05 -3.95 -0.06 0.00 0.80 0.00 0.00 33.01 29.76 2ayx s GLN 850 CO 0.16 -1.21 0.48 0.00 -0.50 0.00 0.00 175.29 174.22 2ayx s LYS 852 N -3.03 1.70 -0.22 0.00 3.01 -0.28 -4.93 119.74 116.00 2ayx s LYS 852 Ca 0.43 -1.04 -0.16 0.00 -1.01 0.00 0.00 55.97 54.20 2ayx s LYS 852 Cb -0.11 -2.63 -0.04 0.00 -1.01 0.00 0.00 37.83 34.04 2ayx s LYS 852 CO 0.26 -0.60 0.40 0.95 0.51 0.00 0.00 175.35 176.87 2ayx s THR 853 N 1.36 5.19 0.06 2.17 -4.23 -1.26 -0.52 115.64 118.40 2ayx s THR 853 Ca -0.06 0.70 0.01 0.00 -1.18 0.00 0.00 61.69 61.15 2ayx s THR 853 Cb -0.19 -3.73 -0.03 0.00 1.34 0.00 0.00 72.50 69.89 2ayx s THR 853 CO -0.06 0.22 -0.05 0.00 -0.54 0.00 0.00 174.62 174.19 2ayx s ALA 854 N 1.50 0.60 -0.48 3.99 0.00 0.01 -4.75 121.76 122.63 2ayx s ALA 854 Ca 0.18 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 51.18 2ayx s ALA 854 Cb -0.15 0.15 0.21 0.00 0.00 0.00 0.00 23.12 23.33 2ayx s ALA 854 CO 0.08 -0.20 0.48 -1.71 0.00 0.00 0.00 175.76 174.41 2ayx n ASN 855 N 0.68 0.82 0.00 0.00 4.05 -1.26 -2.44 115.26 117.11 2ayx n ASN 855 Ca -0.18 -2.75 0.00 0.00 0.45 0.00 0.00 54.58 52.11 2ayx n ASN 855 Cb 0.58 -0.63 0.00 0.00 1.23 0.00 0.00 39.78 40.96 2ayx n ASN 855 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2ayx n ASP 856 N 1.97 0.00 -0.03 1.20 2.03 -1.26 -4.99 116.55 115.46 2ayx n ASP 856 Ca 0.25 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.46 2ayx n ASP 856 Cb 0.47 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.90 2ayx n ASP 856 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2ayx h GLY 857 N 0.00 0.74 1.87 0.27 0.00 -1.93 -3.03 103.07 100.99 2ayx h GLY 857 Ca 0.00 -0.82 -0.16 0.00 0.00 0.00 0.00 47.33 46.35 2ayx h GLY 857 CO 0.00 0.74 -0.70 -2.08 0.00 0.00 0.00 176.54 174.49 2ayx h VAL 858 N 0.54 1.46 -0.09 4.60 2.07 -1.97 -2.86 116.25 119.99 2ayx h VAL 858 Ca 0.02 -2.30 0.03 0.00 0.82 0.00 0.00 66.70 65.28 2ayx h VAL 858 Cb 1.05 2.23 -0.00 0.00 -1.52 0.00 0.00 31.29 33.04 2ayx h VAL 858 CO 0.10 0.67 0.07 -0.78 0.02 0.00 0.00 177.57 177.65 2ayx h ASP 859 N 0.08 0.00 -0.58 0.57 1.82 -1.92 -0.21 116.42 116.18 2ayx h ASP 859 Ca -0.02 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.58 2ayx h ASP 859 Cb 1.25 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.23 2ayx h ASP 859 CO 0.10 0.00 0.20 0.00 -1.61 0.00 0.00 179.24 177.93 2ayx h ALA 860 N 1.95 0.76 -0.11 -0.78 0.00 -1.44 0.39 119.26 120.03 2ayx h ALA 860 Ca 0.04 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 2ayx h ALA 860 Cb 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2ayx h ALA 860 CO -0.00 0.41 -0.55 1.25 0.00 0.00 0.00 179.25 180.36 2ayx h LEU 861 N 0.81 0.35 0.18 0.00 7.12 -1.28 -1.61 115.31 120.88 2ayx h LEU 861 Ca 0.19 -0.19 -0.01 0.00 0.13 0.00 0.00 57.88 58.01 2ayx h LEU 861 Cb 0.26 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.29 2ayx h LEU 861 CO -0.01 0.83 -0.09 -1.13 -0.13 0.00 0.00 178.44 177.91 2ayx h ASN 862 N 0.24 -0.21 0.22 1.25 -1.24 -0.69 -2.39 115.58 112.77 2ayx h ASN 862 Ca 0.00 -0.15 -0.11 0.00 0.71 0.00 0.00 56.30 56.76 2ayx h ASN 862 Cb 1.04 0.05 -0.01 0.00 0.73 0.00 0.00 38.32 40.13 2ayx h ASN 862 CO 0.09 0.03 -0.42 1.62 -1.29 0.00 0.00 177.43 177.46 2ayx h VAL 863 N -0.44 1.31 -0.84 2.57 3.04 -0.93 -1.50 116.25 119.46 2ayx h VAL 863 Ca -0.02 -1.55 -0.01 0.00 -1.01 0.00 0.00 66.70 64.11 2ayx h VAL 863 Cb 0.34 1.69 -0.04 0.00 -2.01 0.00 0.00 31.29 31.27 2ayx h VAL 863 CO 0.04 0.46 0.47 0.25 -1.01 0.00 0.00 177.57 177.79 2ayx h LEU 864 N 0.22 1.03 0.00 3.16 7.12 -1.24 0.42 115.31 126.02 2ayx h LEU 864 Ca 0.02 -0.08 -0.02 0.00 0.13 0.00 0.00 57.88 57.93 2ayx h LEU 864 Cb 0.84 -0.26 -0.00 0.00 -0.53 0.00 0.00 40.66 40.70 2ayx h LEU 864 CO 0.07 0.82 -0.30 0.28 -0.13 0.00 0.00 178.44 179.17 2ayx h SER 865 N 1.16 0.00 0.09 1.25 0.02 -1.09 -3.33 113.55 111.66 2ayx h SER 865 Ca 0.30 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.12 2ayx h SER 865 Cb 0.00 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.56 2ayx h SER 865 CO -0.05 0.09 -0.54 0.50 -1.14 0.00 0.00 176.83 175.69 2ayx h LYS 866 N 0.00 0.20 -2.81 3.45 1.63 -0.62 -3.47 116.57 114.96 2ayx h LYS 866 Ca -0.01 -0.34 -0.13 0.00 -0.85 0.00 0.00 60.65 59.32 2ayx h LYS 866 Cb 1.07 0.13 -0.25 0.00 -0.60 0.00 0.00 32.23 32.58 2ayx h LYS 866 CO 0.01 1.16 -0.28 0.54 -3.45 0.00 0.00 179.45 177.43 2ayx s ASN 867 N -6.71 -0.40 -0.99 4.20 4.22 0.08 -5.09 114.94 110.24 2ayx s ASN 867 Ca -0.15 0.77 -0.19 0.00 -2.14 0.00 0.00 52.86 51.14 2ayx s ASN 867 Cb -0.00 0.76 0.11 0.00 1.28 0.00 0.00 41.25 43.40 2ayx s ASN 867 CO 0.78 -0.14 1.26 -1.00 -2.04 0.00 0.00 177.10 175.97 2ayx s HIS 868 N 0.33 2.99 0.66 1.54 3.76 -1.26 -4.17 115.29 119.14 2ayx s HIS 868 Ca -0.01 -1.33 -0.15 0.00 -0.15 0.00 0.00 55.06 53.42 2ayx s HIS 868 Cb -0.03 -4.41 -0.00 0.00 1.11 0.00 0.00 32.58 29.24 2ayx s HIS 868 CO -0.01 -1.61 1.11 0.42 -0.85 0.00 0.00 174.74 173.81 2ayx s ILE 869 N 3.23 3.20 -0.09 0.60 1.09 -1.26 -5.00 121.20 122.98 2ayx s ILE 869 Ca 0.38 0.57 0.05 0.00 -1.10 0.00 0.00 60.65 60.54 2ayx s ILE 869 Cb -0.03 -3.10 -0.24 0.00 -1.06 0.00 0.00 42.46 38.03 2ayx s ILE 869 CO -0.08 -0.34 0.49 -0.67 -0.10 0.00 0.00 174.94 174.24 2ayx n ASP 870 N -2.37 1.38 -4.04 3.58 2.03 -1.09 -4.89 116.55 111.14 2ayx n ASP 870 Ca 0.11 0.29 -0.22 0.00 0.52 0.00 0.00 54.79 55.49 2ayx n ASP 870 Cb 0.52 -0.35 -0.16 0.00 -0.72 0.00 0.00 41.12 40.41 2ayx n ASP 870 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ayx s ILE 871 N -2.57 0.98 -0.21 5.18 1.01 -1.25 -4.22 121.20 120.11 2ayx s ILE 871 Ca -0.13 -0.47 -0.08 0.00 0.00 0.00 0.00 60.65 59.97 2ayx s ILE 871 Cb 0.07 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 2ayx s ILE 871 CO 0.80 0.29 0.09 -0.69 0.00 0.00 0.00 174.94 175.43 2ayx s VAL 872 N 0.11 4.81 -0.50 2.92 1.01 -1.07 -1.84 120.40 125.84 2ayx s VAL 872 Ca -0.03 -0.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.82 2ayx s VAL 872 Cb -0.09 -3.21 0.13 0.00 0.00 0.00 0.00 36.38 33.21 2ayx s VAL 872 CO 0.01 0.40 0.41 -0.76 0.00 0.00 0.00 175.10 175.16 2ayx s LEU 873 N 0.86 5.91 -0.56 3.92 1.43 0.09 -0.54 118.68 129.79 2ayx s LEU 873 Ca 0.05 -1.88 -0.10 0.00 -1.03 0.00 0.00 54.13 51.17 2ayx s LEU 873 Cb -0.13 -2.09 0.14 0.00 0.03 0.00 0.00 46.19 44.14 2ayx s LEU 873 CO 0.03 -0.76 0.44 -0.44 0.23 0.00 0.00 176.35 175.85 2ayx s SER 874 N 3.03 5.84 -0.33 2.29 0.01 -0.93 -0.59 113.70 123.02 2ayx s SER 874 Ca 0.05 -2.17 -0.07 0.00 1.31 0.00 0.00 55.95 55.07 2ayx s SER 874 Cb -0.28 -2.04 0.03 0.00 0.21 0.00 0.00 66.02 63.95 2ayx s SER 874 CO 0.01 -0.64 0.10 -0.62 0.41 0.00 0.00 173.24 172.50 2ayx s ASP 875 N 2.36 5.30 0.18 2.44 2.15 -0.46 -0.64 116.67 128.00 2ayx s ASP 875 Ca 0.09 -1.07 0.06 0.00 0.43 0.00 0.00 52.55 52.06 2ayx s ASP 875 Cb -0.23 -1.87 -0.04 0.00 -0.30 0.00 0.00 42.92 40.48 2ayx s ASP 875 CO -0.02 -0.31 0.08 -0.69 -0.17 0.00 0.00 175.17 174.06 2ayx s VAL 876 N 1.42 4.14 0.02 1.11 1.01 -0.07 -0.78 120.40 127.25 2ayx s VAL 876 Ca -0.01 -1.26 -0.02 0.00 0.00 0.00 0.00 61.98 60.69 2ayx s VAL 876 Cb -0.19 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 2ayx s VAL 876 CO 0.03 -0.13 -0.03 -3.20 0.00 0.00 0.00 175.10 171.77 2ayx n ASN 877 N -0.31 0.55 0.00 3.32 5.15 -1.26 -1.55 115.26 121.16 2ayx n ASN 877 Ca -0.09 0.08 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 2ayx n ASN 877 Cb 0.55 -0.24 0.00 0.00 -0.53 0.00 0.00 39.78 39.56 2ayx n ASN 877 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 2ayx n MET 878 N -3.01 0.00 -1.46 1.20 1.56 -1.26 -4.65 117.12 109.49 2ayx n MET 878 Ca -0.01 0.00 -0.26 0.00 -0.27 0.00 0.00 57.70 57.15 2ayx n MET 878 Cb 0.05 0.00 -0.07 0.00 2.15 0.00 0.00 33.22 35.35 2ayx n MET 878 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 2ayx n PRO 879 N -1.57 2.64 0.00 2.12 -0.04 -1.26 -3.64 135.00 133.26 2ayx n PRO 879 Ca 0.00 -2.25 0.00 0.00 -0.04 0.00 0.00 63.50 61.21 2ayx n PRO 879 Cb 0.00 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 2ayx n PRO 879 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2ayx n ASN 880 N 1.33 3.59 -3.66 3.54 0.23 -1.26 -5.13 115.26 113.91 2ayx n ASN 880 Ca 0.50 0.00 0.01 0.00 -0.53 0.00 0.00 54.58 54.56 2ayx n ASN 880 Cb 0.57 0.59 0.02 0.00 -2.08 0.00 0.00 39.78 38.87 2ayx n ASN 880 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ayx s MET 881 N -1.54 0.71 0.09 -3.83 0.23 -1.24 -4.87 119.30 108.85 2ayx s MET 881 Ca 0.00 -0.46 -0.30 0.00 -1.03 0.00 0.00 55.69 53.90 2ayx s MET 881 Cb 0.00 0.20 -0.06 0.00 -1.53 0.00 0.00 34.83 33.43 2ayx s MET 881 CO 0.00 -0.33 1.16 0.34 -2.03 0.00 0.00 175.02 174.16 2ayx s ASP 882 N -3.69 7.14 0.00 -1.18 -1.08 -1.26 -4.91 116.67 111.70 2ayx s ASP 882 Ca 0.27 2.02 -0.01 0.00 -0.52 0.00 0.00 52.55 54.32 2ayx s ASP 882 Cb -0.01 -2.59 -0.03 0.00 -1.46 0.00 0.00 42.92 38.83 2ayx s ASP 882 CO 0.01 -0.39 1.74 0.61 0.52 0.00 0.00 175.17 177.66 2ayx n GLY 883 N 2.84 2.11 0.00 2.66 0.00 -1.26 -1.95 105.19 109.58 2ayx n GLY 883 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2ayx n GLY 883 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2ayx n TYR 884 N 1.77 0.00 -0.16 1.61 4.11 -1.26 -4.53 117.16 118.70 2ayx n TYR 884 Ca 0.05 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.86 2ayx n TYR 884 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.78 2ayx n TYR 884 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.86 176.77 2ayx h ARG 885 N 0.00 0.70 0.00 -3.48 1.12 -1.79 -0.69 114.38 110.23 2ayx h ARG 885 Ca 0.00 -0.13 -0.08 0.00 -1.11 0.00 0.00 59.98 58.65 2ayx h ARG 885 Cb 0.04 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 29.88 2ayx h ARG 885 CO 0.00 0.65 -0.40 1.37 -3.11 0.00 0.00 179.97 178.47 2ayx h LEU 886 N 0.60 0.00 -0.15 3.80 -0.00 -1.87 -0.93 115.31 116.77 2ayx h LEU 886 Ca 0.15 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.90 2ayx h LEU 886 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.88 2ayx h LEU 886 CO -0.01 0.40 -0.42 0.74 -0.00 0.00 0.00 178.44 179.15 2ayx h THR 887 N 0.00 1.35 -0.93 0.15 2.02 -1.84 -0.14 112.91 113.51 2ayx h THR 887 Ca -0.00 -1.70 0.02 0.00 0.77 0.00 0.00 66.41 65.49 2ayx h THR 887 Cb 0.75 2.04 -0.05 0.00 -1.74 0.00 0.00 68.15 69.15 2ayx h THR 887 CO 0.05 0.52 0.61 1.56 0.37 0.00 0.00 175.52 178.63 2ayx h GLN 888 N 0.18 1.20 -0.04 6.66 1.08 -0.83 0.42 115.11 123.78 2ayx h GLN 888 Ca -0.01 -0.07 -0.20 0.00 -1.45 0.00 0.00 58.65 56.92 2ayx h GLN 888 Cb 1.04 -0.27 -0.00 0.00 -0.05 0.00 0.00 27.48 28.20 2ayx h GLN 888 CO 0.09 0.79 -0.82 -0.09 -0.95 0.00 0.00 178.83 177.85 2ayx h ARG 889 N 1.23 0.36 -0.11 1.46 9.65 -1.13 -0.93 114.38 124.91 2ayx h ARG 889 Ca 0.35 -0.34 -0.20 0.00 -1.10 0.00 0.00 59.98 58.70 2ayx h ARG 889 Cb -0.09 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.57 2ayx h ARG 889 CO -0.09 1.00 -0.74 0.97 2.80 0.00 0.00 179.97 183.92 2ayx h ILE 890 N 0.23 1.34 0.00 1.20 2.10 -0.62 -0.12 117.51 121.64 2ayx h ILE 890 Ca -0.05 -2.06 -0.09 0.00 1.08 0.00 0.00 64.86 63.74 2ayx h ILE 890 Cb 1.42 2.05 -0.01 0.00 -1.09 0.00 0.00 36.82 39.19 2ayx h ILE 890 CO 0.14 0.63 -0.41 0.08 -1.08 0.00 0.00 178.15 177.51 2ayx h ARG 891 N 0.37 0.00 -0.14 2.19 0.11 -0.94 0.58 114.38 116.55 2ayx h ARG 891 Ca -0.04 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.96 2ayx h ARG 891 Cb 1.33 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.41 2ayx h ARG 891 CO 0.14 0.41 -0.24 0.37 0.10 0.00 0.00 179.97 180.75 2ayx h GLN 892 N 0.00 0.41 -0.21 0.08 4.15 -0.96 -3.29 115.11 115.29 2ayx h GLN 892 Ca -0.00 -0.25 -0.06 0.00 0.77 0.00 0.00 58.65 59.11 2ayx h GLN 892 Cb 1.09 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.80 2ayx h GLN 892 CO 0.05 0.85 -0.08 1.25 -1.93 0.00 0.00 178.83 178.96 2ayx h LEU 893 N 0.02 0.44 0.00 -2.39 5.85 -0.95 -3.48 115.31 114.80 2ayx h LEU 893 Ca 0.01 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.33 2ayx h LEU 893 Cb 0.82 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.73 2ayx h LEU 893 CO 0.05 0.74 0.00 0.61 -0.34 0.00 0.00 178.44 179.50 2ayx n GLY 894 N -0.05 0.34 3.68 3.75 0.00 -0.08 -5.08 105.19 107.74 2ayx n GLY 894 Ca -0.05 -0.57 -0.47 0.00 0.00 0.00 0.00 46.02 44.93 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 3.46 -0.11 0.99 -0.00 0.00 -4.85 117.00 116.49 2ayx n LEU 895 Ca 0.00 0.98 0.07 0.00 -0.00 0.00 0.00 56.01 57.06 2ayx n LEU 895 Cb 0.00 -1.39 0.09 0.00 -0.00 0.00 0.00 43.42 42.12 2ayx n LEU 895 CO 0.00 -0.06 0.51 0.41 -0.00 0.00 0.00 177.39 178.24 2ayx n THR 896 N 4.93 1.43 -3.81 1.47 -1.04 -1.26 -5.02 114.28 110.97 2ayx n THR 896 Ca 0.22 -1.68 -0.13 0.00 -2.04 0.00 0.00 64.05 60.42 2ayx n THR 896 Cb 0.30 0.03 -0.13 0.00 -1.82 0.00 0.00 70.33 68.71 2ayx n THR 896 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 2ayx s LEU 897 N -2.08 1.33 0.39 -4.42 2.34 -1.26 -5.14 118.68 109.84 2ayx s LEU 897 Ca 0.21 0.30 -0.27 0.00 0.06 0.00 0.00 54.13 54.43 2ayx s LEU 897 Cb 0.18 0.49 -0.10 0.00 -0.56 0.00 0.00 46.19 46.20 2ayx s LEU 897 CO 0.02 -0.07 1.45 -2.84 -1.06 0.00 0.00 176.35 173.85 2ayx s PRO 898 N 0.24 4.03 -0.02 1.48 0.02 -1.26 -4.82 135.00 134.67 2ayx s PRO 898 Ca -0.01 2.48 0.04 0.00 0.02 0.00 0.00 61.00 63.53 2ayx s PRO 898 Cb -0.03 -2.90 -0.01 0.00 0.02 0.00 0.00 34.50 31.59 2ayx s PRO 898 CO -0.01 -0.56 -0.14 0.54 -0.33 0.00 0.00 177.00 176.50 2ayx s VAL 899 N -1.15 1.14 -0.36 3.83 0.11 -1.10 -2.60 120.40 120.27 2ayx s VAL 899 Ca 0.54 -0.59 -0.20 0.00 -2.93 0.00 0.00 61.98 58.80 2ayx s VAL 899 Cb -0.45 -0.96 0.00 0.00 -1.53 0.00 0.00 36.38 33.44 2ayx s VAL 899 CO 0.60 0.33 0.63 -0.63 -3.33 0.00 0.00 175.10 172.69 2ayx s ILE 900 N -0.18 4.89 -0.54 7.04 1.01 0.30 -1.88 121.20 131.84 2ayx s ILE 900 Ca 0.02 0.52 -0.25 0.00 0.00 0.00 0.00 60.65 60.94 2ayx s ILE 900 Cb -0.07 -4.08 0.04 0.00 0.01 0.00 0.00 42.46 38.36 2ayx s ILE 900 CO 0.00 -0.33 1.00 -0.83 0.00 0.00 0.00 174.94 174.78 2ayx s GLY 901 N 1.81 1.35 -0.07 6.18 0.00 -0.51 -2.19 107.32 113.89 2ayx s GLY 901 Ca 0.24 -1.05 0.01 0.00 0.00 0.00 0.00 44.72 43.91 2ayx s GLY 901 CO 0.15 2.16 -0.06 0.14 0.00 0.00 0.00 173.10 175.49 2ayx s VAL 902 N 4.16 3.77 -0.02 1.40 1.01 0.19 -1.35 120.40 129.56 2ayx s VAL 902 Ca 0.35 -0.46 -0.17 0.00 0.00 0.00 0.00 61.98 61.70 2ayx s VAL 902 Cb -0.11 -2.55 0.03 0.00 0.00 0.00 0.00 36.38 33.76 2ayx s VAL 902 CO 0.22 0.60 0.35 0.42 0.00 0.00 0.00 175.10 176.69 2ayx s THR 903 N -0.82 0.05 -0.23 3.92 -4.23 -0.75 -0.89 115.64 112.69 2ayx s THR 903 Ca 0.13 -0.42 -0.29 0.00 -1.18 0.00 0.00 61.69 59.93 2ayx s THR 903 Cb -0.11 -0.66 -0.02 0.00 1.34 0.00 0.00 72.50 73.04 2ayx s THR 903 CO 0.02 -0.23 1.62 0.00 -0.54 0.00 0.00 174.62 175.48 2ayx s ALA 904 N -1.32 3.25 -0.41 3.99 0.00 -0.60 -0.68 121.76 125.99 2ayx s ALA 904 Ca -0.13 0.44 -0.30 0.00 0.00 0.00 0.00 51.96 51.96 2ayx s ALA 904 Cb -0.05 -3.86 -0.10 0.00 0.00 0.00 0.00 23.12 19.12 2ayx s ALA 904 CO 0.05 -1.99 2.31 0.09 0.00 0.00 0.00 175.76 176.22 2ayx n ASN 905 N 8.54 2.31 0.00 0.00 4.13 -1.26 -4.71 115.26 124.26 2ayx n ASN 905 Ca 0.19 0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.54 2ayx n ASN 905 Cb 0.45 -1.39 0.00 0.00 -1.54 0.00 0.00 39.78 37.30 2ayx n ASN 905 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ayx n ALA 906 N 12.03 1.84 0.00 5.41 0.00 -1.26 -5.11 120.51 133.42 2ayx n ALA 906 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2ayx n ALA 906 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.84 0.00 0.00 0.00 7.94 -1.26 -5.02 117.00 117.82 2ayx n LEU 907 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2ayx n LEU 907 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2ayx n LEU 907 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.28 2ayx n ALA 908 N -0.78 0.00 -0.21 1.96 0.00 -1.26 -4.43 120.51 115.79 2ayx n ALA 908 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2ayx n ALA 908 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 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 0.00 1.03 0.00 0.00 3.07 -1.95 0.53 114.58 117.26 2ayx h GLU 909 Ca 0.00 -0.22 -0.07 0.00 -0.50 0.00 0.00 59.36 58.57 2ayx h GLU 909 Cb 0.00 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.75 2ayx h GLU 909 CO 0.00 0.90 -0.33 1.05 -1.40 0.00 0.00 179.01 179.23 2ayx h GLU 910 N 0.99 0.00 0.00 2.33 -0.00 -1.92 -1.36 114.58 114.62 2ayx h GLU 910 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.57 2ayx h GLU 910 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.06 2ayx h GLU 910 CO -0.00 0.33 0.00 -0.22 -0.00 0.00 0.00 179.01 179.11 2ayx h LYS 911 N 0.00 0.00 -0.02 1.06 3.64 -1.49 -2.53 116.57 117.23 2ayx h LYS 911 Ca -0.00 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.14 2ayx h LYS 911 Cb 0.61 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.44 2ayx h LYS 911 CO 0.04 0.00 -0.96 1.96 -2.27 0.00 0.00 179.45 178.23 2ayx h GLN 912 N 0.00 0.54 -0.96 1.90 7.50 0.18 -0.06 115.11 124.21 2ayx h GLN 912 Ca 0.00 -0.56 0.02 0.00 0.50 0.00 0.00 58.65 58.61 2ayx h GLN 912 Cb 0.70 0.16 -0.05 0.00 0.05 0.00 0.00 27.48 28.34 2ayx h GLN 912 CO 0.00 1.19 0.64 -0.09 -1.50 0.00 0.00 178.83 179.07 2ayx h ARG 913 N 0.32 1.24 0.00 1.46 2.43 -1.16 -0.98 114.38 117.68 2ayx h ARG 913 Ca -0.09 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 58.92 2ayx h ARG 913 Cb 1.59 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 2ayx h ARG 913 CO 0.18 0.82 -0.38 0.00 -1.51 0.00 0.00 179.97 179.08 2ayx h LEU 915 N 0.00 0.55 0.02 0.00 6.46 0.18 -3.30 115.31 119.22 2ayx h LEU 915 Ca -0.00 -0.47 -0.06 0.00 -0.12 0.00 0.00 57.88 57.23 2ayx h LEU 915 Cb 0.87 -0.15 0.01 0.00 -0.73 0.00 0.00 40.66 40.65 2ayx h LEU 915 CO 0.05 0.90 -0.24 -0.33 -0.62 0.00 0.00 178.44 178.20 2ayx h GLU 916 N 0.20 0.12 -2.84 1.25 4.39 -1.21 -3.47 114.58 113.02 2ayx h GLU 916 Ca 0.04 -0.16 -0.25 0.00 0.34 0.00 0.00 59.36 59.33 2ayx h GLU 916 Cb 0.74 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.40 2ayx h GLU 916 CO 0.05 0.99 -0.28 0.43 -1.16 0.00 0.00 179.01 179.03 2ayx n SER 917 N -4.50 -3.65 -1.95 1.42 7.64 -0.08 -4.83 113.62 107.68 2ayx n SER 917 Ca -0.10 0.24 -0.05 0.00 1.01 0.00 0.00 58.87 59.96 2ayx n SER 917 Cb 0.54 -3.23 0.30 0.00 -1.01 0.00 0.00 64.21 60.80 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 -0.57 3.47 0.00 0.23 0.00 -1.26 -4.62 105.19 102.44 2ayx n GLY 918 Ca -0.14 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.07 0.00 0.00 1.61 2.81 -1.26 -4.86 117.12 115.35 2ayx n MET 919 Ca 0.38 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.27 2ayx n MET 919 Cb 1.33 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.84 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 -4.83 7.83 -0.08 -0.79 -2.71 116.55 115.52 2ayx n ASP 920 Ca 0.00 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.05 2ayx n ASP 920 Cb 0.00 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.53 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 -1.27 4.78 -0.16 1.67 0.01 -1.08 -4.90 113.70 112.76 2ayx s SER 921 Ca 0.00 -0.03 -0.06 0.00 1.31 0.00 0.00 55.95 57.16 2ayx s SER 921 Cb 0.00 -0.60 0.08 0.00 0.21 0.00 0.00 66.02 65.71 2ayx s SER 921 CO 0.00 -1.54 0.35 0.00 0.41 0.00 0.00 173.24 172.46 2ayx s LEU 923 N 2.37 1.07 0.22 0.00 2.34 -0.46 -4.98 118.68 119.24 2ayx s LEU 923 Ca -0.02 -1.38 -0.04 0.00 0.06 0.00 0.00 54.13 52.76 2ayx s LEU 923 Cb -0.12 0.87 -0.05 0.00 -0.56 0.00 0.00 46.19 46.33 2ayx s LEU 923 CO -0.11 -1.02 0.46 -0.44 -1.06 0.00 0.00 176.35 174.18 2ayx s SER 924 N -3.18 6.45 0.23 1.48 0.01 -1.26 -1.81 113.70 115.61 2ayx s SER 924 Ca 0.35 0.59 -0.11 0.00 1.31 0.00 0.00 55.95 58.09 2ayx s SER 924 Cb 0.03 -2.09 0.32 0.00 0.21 0.00 0.00 66.02 64.50 2ayx s SER 924 CO 0.16 -0.08 1.63 0.50 0.41 0.00 0.00 173.24 175.86 2ayx h LYS 925 N 2.10 0.05 -4.75 12.44 3.64 -1.24 -3.23 116.57 125.57 2ayx h LYS 925 Ca -0.47 -0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.34 2ayx h LYS 925 Cb 1.18 -0.01 0.03 0.00 -0.41 0.00 0.00 32.23 33.03 2ayx h LYS 925 CO 0.68 0.03 1.93 -0.35 -2.27 0.00 0.00 179.45 179.48 2ayx n PRO 926 N -5.39 1.43 -2.64 1.90 -0.04 -1.26 -4.91 135.00 124.09 2ayx n PRO 926 Ca 0.10 -1.95 -0.43 0.00 -0.04 0.00 0.00 63.50 61.18 2ayx n PRO 926 Cb 0.39 -3.10 -0.02 0.00 -0.04 0.00 0.00 33.50 30.73 2ayx n PRO 926 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ayx s VAL 927 N 6.66 4.61 0.66 0.52 1.01 -1.22 -5.03 120.40 127.61 2ayx s VAL 927 Ca 0.61 1.93 -0.14 0.00 0.00 0.00 0.00 61.98 64.38 2ayx s VAL 927 Cb 0.11 -4.31 -0.00 0.00 0.00 0.00 0.00 36.38 32.17 2ayx s VAL 927 CO 0.14 -0.24 1.08 0.42 0.00 0.00 0.00 175.10 176.49 2ayx s THR 928 N 3.33 3.61 0.18 3.92 -4.23 -1.26 -4.80 115.64 116.39 2ayx s THR 928 Ca 0.45 0.68 -0.13 0.00 -1.18 0.00 0.00 61.69 61.51 2ayx s THR 928 Cb -0.15 -3.23 0.08 0.00 1.34 0.00 0.00 72.50 70.54 2ayx s THR 928 CO 0.09 -0.54 1.77 0.25 -0.54 0.00 0.00 174.62 175.65 2ayx h LEU 929 N -0.13 0.30 -1.04 4.79 7.12 -1.99 0.33 115.31 124.70 2ayx h LEU 929 Ca -0.46 0.04 -0.09 0.00 0.13 0.00 0.00 57.88 57.50 2ayx h LEU 929 Cb 1.23 -0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 41.33 2ayx h LEU 929 CO 0.55 0.21 -0.30 -0.78 -0.13 0.00 0.00 178.44 178.00 2ayx h ASP 930 N 0.45 0.32 -0.03 1.25 1.82 -1.99 -2.07 116.42 116.17 2ayx h ASP 930 Ca 0.23 -0.11 -0.01 0.00 -0.39 0.00 0.00 57.03 56.74 2ayx h ASP 930 Cb 0.18 -0.09 -0.00 0.00 0.68 0.00 0.00 39.33 40.10 2ayx h ASP 930 CO -0.19 0.62 -0.03 0.58 -1.61 0.00 0.00 179.24 178.61 2ayx h VAL 931 N 0.28 1.39 -0.90 2.25 2.07 -1.62 -0.29 116.25 119.43 2ayx h VAL 931 Ca 0.04 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 2ayx h VAL 931 Cb 0.67 2.15 -0.04 0.00 -1.52 0.00 0.00 31.29 32.55 2ayx h VAL 931 CO 0.05 0.32 0.53 -0.29 0.02 0.00 0.00 177.57 178.20 2ayx h ILE 932 N -0.41 1.25 -0.11 4.57 6.09 -0.95 0.23 117.51 128.18 2ayx h ILE 932 Ca 0.00 -0.58 -0.00 0.00 -1.37 0.00 0.00 64.86 62.92 2ayx h ILE 932 Cb 0.54 -0.00 -0.01 0.00 0.47 0.00 0.00 36.82 37.83 2ayx h ILE 932 CO 0.01 0.27 0.06 0.50 -3.07 0.00 0.00 178.15 175.92 2ayx h LYS 933 N 1.25 0.15 -0.11 2.19 3.11 -1.30 -1.12 116.57 120.73 2ayx h LYS 933 Ca 0.32 -0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 58.12 2ayx h LYS 933 Cb -0.03 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.17 2ayx h LYS 933 CO -0.06 0.20 0.00 1.96 -2.81 0.00 0.00 179.45 178.74 2ayx h GLN 934 N 0.07 0.19 -0.52 1.90 4.20 -0.65 -0.95 115.11 119.35 2ayx h GLN 934 Ca 0.04 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 2ayx h GLN 934 Cb 0.09 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 2ayx h GLN 934 CO -0.01 0.44 0.27 1.15 -0.67 0.00 0.00 178.83 180.02 2ayx h THR 935 N -0.08 1.18 -0.59 -0.54 2.02 -0.96 0.11 112.91 114.05 2ayx h THR 935 Ca 0.03 -0.48 -0.06 0.00 0.77 0.00 0.00 66.41 66.67 2ayx h THR 935 Cb 0.35 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 2ayx h THR 935 CO 0.01 0.20 0.14 -0.07 0.37 0.00 0.00 175.52 176.17 2ayx h LEU 936 N 0.70 0.90 -0.48 2.58 4.07 -1.16 -1.02 115.31 120.89 2ayx h LEU 936 Ca 0.18 -0.23 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 2ayx h LEU 936 Cb 0.07 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.55 2ayx h LEU 936 CO -0.03 0.90 0.23 0.74 -1.08 0.00 0.00 178.44 179.21 2ayx h THR 937 N 0.86 1.19 -0.39 0.22 2.02 -0.83 0.36 112.91 116.33 2ayx h THR 937 Ca 0.19 -0.53 -0.04 0.00 0.77 0.00 0.00 66.41 66.79 2ayx h THR 937 Cb 0.35 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 2ayx h THR 937 CO 0.00 0.21 0.08 0.25 0.37 0.00 0.00 175.52 176.43 2ayx h LEU 938 N 0.63 0.62 -0.36 2.58 5.85 -0.72 -1.34 115.31 122.57 2ayx h LEU 938 Ca 0.16 -0.25 -0.15 0.00 0.84 0.00 0.00 57.88 58.48 2ayx h LEU 938 Cb 0.12 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 2ayx h LEU 938 CO -0.02 0.71 -0.71 1.88 -0.34 0.00 0.00 178.44 179.96 2ayx h TYR 939 N 0.50 0.00 -0.50 1.25 0.05 -1.11 -0.54 116.97 116.63 2ayx h TYR 939 Ca 0.12 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.81 2ayx h TYR 939 Cb 0.35 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.07 2ayx h TYR 939 CO 0.02 0.71 -0.05 0.00 -1.05 0.00 0.00 178.16 177.80 2ayx h ALA 940 N 1.29 0.67 0.00 3.88 0.00 -0.78 -1.89 119.26 122.43 2ayx h ALA 940 Ca -0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 2ayx h ALA 940 Cb 1.38 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 2ayx h ALA 940 CO 0.09 0.52 -0.16 1.05 0.00 0.00 0.00 179.25 180.75 2ayx h GLU 941 N 0.77 0.00 -0.12 0.00 4.11 -1.14 -0.37 114.58 117.83 2ayx h GLU 941 Ca 0.13 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.54 2ayx h GLU 941 Cb 0.58 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 2ayx h GLU 941 CO 0.03 0.16 -0.00 -0.09 0.07 0.00 0.00 179.01 179.19 2ayx h ARG 942 N 0.00 0.22 -0.01 1.06 9.65 -0.71 0.05 114.38 124.64 2ayx h ARG 942 Ca -0.00 -0.07 -0.16 0.00 -1.10 0.00 0.00 59.98 58.65 2ayx h ARG 942 Cb 0.90 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.45 2ayx h ARG 942 CO 0.02 0.46 -0.74 -0.39 2.80 0.00 0.00 179.97 182.13 2ayx h VAL 943 N -0.06 1.50 -0.12 0.20 -1.51 -1.29 -1.66 116.25 113.30 2ayx h VAL 943 Ca 0.03 -2.43 -0.07 0.00 -1.23 0.00 0.00 66.70 63.00 2ayx h VAL 943 Cb 0.37 2.31 -0.01 0.00 -2.13 0.00 0.00 31.29 31.83 2ayx h VAL 943 CO 0.01 0.70 -0.23 0.03 -1.23 0.00 0.00 177.57 176.85 2ayx h ARG 944 N 0.05 0.21 0.00 5.19 3.08 -0.96 -1.32 114.38 120.63 2ayx h ARG 944 Ca -0.01 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2ayx h ARG 944 Cb 1.30 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.33 2ayx h ARG 944 CO 0.10 0.44 -0.59 1.57 -1.07 0.00 0.00 179.97 180.42 2ayx h LYS 945 N 0.20 0.00 -0.10 0.04 2.10 -0.85 0.46 116.57 118.42 2ayx h LYS 945 Ca 0.03 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.59 2ayx h LYS 945 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 2ayx h LYS 945 CO 0.04 0.00 -0.32 0.77 -2.00 0.00 0.00 179.45 177.93 2ayx h SER 946 N 0.00 0.46 0.77 7.07 0.02 -0.44 -3.21 113.55 118.23 2ayx h SER 946 Ca 0.00 -0.61 -0.21 0.00 -0.84 0.00 0.00 61.79 60.13 2ayx h SER 946 Cb 0.77 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 2ayx h SER 946 CO 0.00 0.99 -0.97 -0.09 -1.14 0.00 0.00 176.83 175.62 2ayx h ARG 947 N -0.04 0.11 -3.87 3.45 2.43 -1.37 -3.50 114.38 111.58 2ayx h ARG 947 Ca -0.01 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 2ayx h ARG 947 Cb 0.95 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.49 2ayx h ARG 947 CO 0.07 0.99 -0.74 -3.47 -1.51 0.00 0.00 179.97 175.30 2ayx n ASP 948 N -3.52 -1.78 0.00 -3.80 2.03 0.14 -5.10 116.55 104.52 2ayx n ASP 948 Ca -0.03 0.69 0.00 0.00 0.52 0.00 0.00 54.79 55.97 2ayx n ASP 948 Cb 0.88 -3.07 0.00 0.00 -0.72 0.00 0.00 41.12 38.21 2ayx n ASP 948 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08