#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ayx n GLY 697 N 0.00 2.06 0.00 3.03 0.00 -1.26 -4.46 105.19 104.56 2ayx n GLY 697 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 2.66 3.56 -0.02 0.00 -1.26 -4.92 105.19 105.21 2ayx n GLY 698 Ca 0.00 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 5.48 -0.14 1.61 0.01 -1.26 -4.83 113.70 114.57 2ayx s SER 699 Ca 0.00 -0.70 -0.00 0.00 1.31 0.00 0.00 55.95 56.56 2ayx s SER 699 Cb 0.00 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.70 2ayx s SER 699 CO 0.00 -2.41 -0.10 -0.83 0.41 0.00 0.00 173.24 170.31 2ayx s GLY 700 N 7.24 0.99 0.04 3.44 0.00 -1.26 -5.12 107.32 112.64 2ayx s GLY 700 Ca 0.63 -0.76 0.07 0.00 0.00 0.00 0.00 44.72 44.66 2ayx s GLY 700 CO 0.01 0.70 -0.16 -1.34 0.00 0.00 0.00 173.10 172.30 2ayx s VAL 701 N 1.59 2.93 0.00 1.40 -7.23 -1.26 -5.02 120.40 112.81 2ayx s VAL 701 Ca 0.04 -1.13 0.00 0.00 -1.81 0.00 0.00 61.98 59.08 2ayx s VAL 701 Cb -0.13 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.57 2ayx s VAL 701 CO -0.09 0.34 0.00 -0.62 -0.31 0.00 0.00 175.10 174.42 2ayx n GLU 702 N 1.53 0.00 0.00 4.82 1.02 -1.26 -5.03 120.64 121.72 2ayx n GLU 702 Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 2ayx n GLU 702 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.94 2ayx n GLU 702 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ayx n GLY 703 N 2.87 2.56 0.09 0.62 0.00 -1.26 -2.58 105.19 107.50 2ayx n GLY 703 Ca 0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 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 0.76 -4.55 0.99 4.77 -1.26 -4.67 117.00 113.03 2ayx n LEU 704 Ca 0.00 0.25 -0.37 0.00 -0.03 0.00 0.00 56.01 55.85 2ayx n LEU 704 Cb 0.00 0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 2ayx n LEU 704 CO 0.00 0.47 1.93 -0.94 -1.33 0.00 0.00 177.39 177.53 2ayx s SER 705 N -5.96 4.66 0.00 -1.43 1.04 -1.06 -0.95 113.70 110.00 2ayx s SER 705 Ca -0.09 1.02 0.00 0.00 0.48 0.00 0.00 55.95 57.37 2ayx s SER 705 Cb 0.07 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.69 2ayx s SER 705 CO 0.82 -2.72 0.00 0.61 0.98 0.00 0.00 173.24 172.93 2ayx n GLY 706 N 5.93 0.81 3.74 7.32 0.00 0.56 -4.69 105.19 118.86 2ayx n GLY 706 Ca 0.33 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 4.31 0.00 1.61 -0.14 -0.12 -4.75 119.74 120.65 2ayx s LYS 707 Ca 0.00 2.22 -0.01 0.00 -1.36 0.00 0.00 55.97 56.82 2ayx s LYS 707 Cb 0.00 -3.14 -0.04 0.00 -1.68 0.00 0.00 37.83 32.97 2ayx s LYS 707 CO 0.00 -0.37 0.12 1.03 -0.76 0.00 0.00 175.35 175.38 2ayx s ARG 708 N -0.28 3.20 -0.08 1.68 0.52 -1.26 -0.81 118.95 121.92 2ayx s ARG 708 Ca 0.59 -0.44 -0.01 0.00 -0.52 0.00 0.00 55.73 55.34 2ayx s ARG 708 Cb -0.40 -2.94 0.03 0.00 0.52 0.00 0.00 34.95 32.16 2ayx s ARG 708 CO 0.41 0.65 -0.01 0.00 0.02 0.00 0.00 175.30 176.38 2ayx s TRP 710 N 1.94 3.63 -0.10 0.00 0.52 -0.31 -0.86 118.94 123.76 2ayx s TRP 710 Ca 0.05 0.97 0.02 0.00 0.02 0.00 0.00 56.10 57.16 2ayx s TRP 710 Cb -0.12 -2.44 0.02 0.00 -1.15 0.00 0.00 33.47 29.77 2ayx s TRP 710 CO -0.06 0.40 -0.14 -0.48 0.02 0.00 0.00 176.95 176.69 2ayx s LEU 711 N -0.23 1.66 -0.60 2.99 2.34 -0.14 -0.79 118.68 123.91 2ayx s LEU 711 Ca 0.25 -0.40 0.06 0.00 0.06 0.00 0.00 54.13 54.10 2ayx s LEU 711 Cb -0.16 -1.03 0.29 0.00 -0.56 0.00 0.00 46.19 44.73 2ayx s LEU 711 CO 0.12 0.01 0.83 0.00 -1.06 0.00 0.00 176.35 176.25 2ayx n ALA 712 N 4.22 4.25 -3.67 1.48 0.00 0.42 -0.79 120.51 126.42 2ayx n ALA 712 Ca -0.19 -4.69 -0.35 0.00 0.00 0.00 0.00 53.44 48.22 2ayx n ALA 712 Cb 0.51 -0.83 -0.14 0.00 0.00 0.00 0.00 19.45 18.99 2ayx n ALA 712 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ayx s VAL 713 N -3.29 2.96 -0.12 0.00 1.01 -1.26 -2.40 120.40 117.30 2ayx s VAL 713 Ca 0.44 -1.12 0.20 0.00 0.00 0.00 0.00 61.98 61.49 2ayx s VAL 713 Cb 0.21 -2.57 0.18 0.00 0.00 0.00 0.00 36.38 34.20 2ayx s VAL 713 CO -0.07 0.10 1.61 0.03 0.00 0.00 0.00 175.10 176.77 2ayx h ARG 714 N 8.02 0.00 -6.02 2.72 3.08 -1.96 -3.41 114.38 116.80 2ayx h ARG 714 Ca -0.29 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.28 2ayx h ARG 714 Cb 1.09 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.09 2ayx h ARG 714 CO 0.56 0.31 1.19 1.21 -1.07 0.00 0.00 179.97 182.17 2ayx s ASN 715 N -6.31 5.54 0.44 7.04 3.84 -1.26 -4.84 114.94 119.39 2ayx s ASN 715 Ca 0.03 -0.16 0.12 0.00 0.21 0.00 0.00 52.86 53.06 2ayx s ASN 715 Cb 0.08 -2.54 0.99 0.00 -0.55 0.00 0.00 41.25 39.22 2ayx s ASN 715 CO 0.69 -2.26 2.03 0.00 -2.79 0.00 0.00 177.10 174.77 2ayx h ALA 716 N 12.82 1.73 -0.14 1.71 0.00 -1.98 0.34 119.26 133.74 2ayx h ALA 716 Ca -0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2ayx h ALA 716 Cb 1.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2ayx h ALA 716 CO 1.25 0.20 0.05 0.77 0.00 0.00 0.00 179.25 181.53 2ayx h SER 717 N 0.19 0.19 -0.16 0.00 0.02 -1.96 0.52 113.55 112.36 2ayx h SER 717 Ca 0.05 -0.17 -0.16 0.00 -0.84 0.00 0.00 61.79 60.67 2ayx h SER 717 Cb 0.16 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2ayx h SER 717 CO 0.00 0.31 -0.51 0.25 -1.14 0.00 0.00 176.83 175.75 2ayx h LEU 718 N 0.07 0.73 0.16 5.07 6.46 -1.73 -2.64 115.31 123.42 2ayx h LEU 718 Ca 0.05 -0.60 -0.00 0.00 -0.12 0.00 0.00 57.88 57.21 2ayx h LEU 718 Cb 0.18 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.89 2ayx h LEU 718 CO -0.00 1.20 -0.12 0.00 -0.62 0.00 0.00 178.44 178.89 2ayx h GLN 720 N -0.28 0.95 0.27 0.00 4.15 -0.98 0.16 115.11 119.38 2ayx h GLN 720 Ca -0.01 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.27 2ayx h GLN 720 Cb 0.25 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 2ayx h GLN 720 CO -0.01 0.75 -0.16 0.35 -1.93 0.00 0.00 178.83 177.83 2ayx h PHE 721 N 0.92 -0.41 -0.36 3.99 3.04 -1.19 -1.46 116.94 121.47 2ayx h PHE 721 Ca 0.23 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.13 2ayx h PHE 721 Cb 0.10 0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.74 2ayx h PHE 721 CO 0.00 -0.25 0.07 -0.07 -2.02 0.00 0.00 178.31 176.04 2ayx h LEU 722 N -0.41 0.57 -0.71 0.59 -0.00 -0.95 -2.60 115.31 111.80 2ayx h LEU 722 Ca -0.03 -0.25 -0.07 0.00 -0.00 0.00 0.00 57.88 57.53 2ayx h LEU 722 Cb 0.33 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 40.81 2ayx h LEU 722 CO 0.04 0.67 0.18 1.05 -0.00 0.00 0.00 178.44 180.38 2ayx h GLU 723 N 0.44 1.14 -0.32 1.13 4.11 -0.89 -2.18 114.58 118.01 2ayx h GLU 723 Ca 0.11 -0.27 -0.16 0.00 0.07 0.00 0.00 59.36 59.11 2ayx h GLU 723 Cb 0.34 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2ayx h GLU 723 CO 0.01 1.00 -0.43 1.15 0.07 0.00 0.00 179.01 180.81 2ayx h THR 724 N 1.08 1.28 -0.61 -1.06 2.02 -1.25 -2.44 112.91 111.93 2ayx h THR 724 Ca 0.22 -1.61 -0.06 0.00 0.77 0.00 0.00 66.41 65.73 2ayx h THR 724 Cb 0.37 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 68.24 2ayx h THR 724 CO 0.00 0.53 0.12 0.28 0.37 0.00 0.00 175.52 176.82 2ayx h SER 725 N 0.65 0.91 0.21 4.18 0.02 -1.16 -2.86 113.55 115.50 2ayx h SER 725 Ca 0.05 -0.19 -0.21 0.00 -0.84 0.00 0.00 61.79 60.60 2ayx h SER 725 Cb 1.00 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.30 2ayx h SER 725 CO 0.10 0.89 -0.84 -0.07 -1.14 0.00 0.00 176.83 175.77 2ayx h LEU 726 N 0.91 0.60 0.00 5.07 3.38 -1.36 -3.05 115.31 120.86 2ayx h LEU 726 Ca 0.19 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2ayx h LEU 726 Cb 0.36 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2ayx h LEU 726 CO 0.00 1.21 0.00 0.00 0.09 0.00 0.00 178.44 179.74 2ayx n GLN 727 N -3.82 0.78 0.16 1.13 6.02 -0.93 -3.07 117.38 117.66 2ayx n GLN 727 Ca -0.06 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.06 2ayx n GLN 727 Cb 0.77 -1.15 0.41 0.00 1.02 0.00 0.00 30.24 31.29 2ayx n GLN 727 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ayx h ARG 728 N 0.00 0.00 0.00 -1.09 3.08 -1.41 -3.43 114.38 111.54 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 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2ayx h ARG 728 CO 0.00 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.33 2ayx n SER 729 N -2.54 0.00 -1.65 7.04 7.64 -1.17 -5.02 113.62 117.92 2ayx n SER 729 Ca 0.04 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.93 2ayx n SER 729 Cb 0.39 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.61 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 4.37 1.06 3.76 0.23 0.00 -1.26 -5.02 105.19 108.32 2ayx n GLY 730 Ca 0.00 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.54 5.40 -0.46 -0.61 -1.09 -1.25 -0.32 121.20 122.33 2ayx s ILE 731 Ca 0.25 0.18 -0.15 0.00 -2.23 0.00 0.00 60.65 58.70 2ayx s ILE 731 Cb 0.31 -3.43 0.07 0.00 -1.58 0.00 0.00 42.46 37.83 2ayx s ILE 731 CO -0.12 0.49 0.38 0.68 -1.23 0.00 0.00 174.94 175.14 2ayx s VAL 732 N -0.01 5.13 -0.10 2.92 -7.23 0.01 -4.11 120.40 117.01 2ayx s VAL 732 Ca 0.10 -1.08 -0.26 0.00 -1.81 0.00 0.00 61.98 58.93 2ayx s VAL 732 Cb -0.11 -4.06 -0.02 0.00 0.56 0.00 0.00 36.38 32.74 2ayx s VAL 732 CO -0.00 -0.56 0.82 -0.69 -0.31 0.00 0.00 175.10 174.36 2ayx s VAL 733 N 1.62 4.93 -0.01 1.32 1.01 -1.26 -1.32 120.40 126.69 2ayx s VAL 733 Ca 0.04 1.67 0.06 0.00 0.00 0.00 0.00 61.98 63.75 2ayx s VAL 733 Cb -0.24 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 2ayx s VAL 733 CO 0.06 0.12 -0.20 -0.89 0.00 0.00 0.00 175.10 174.19 2ayx s THR 734 N 1.51 1.61 -0.15 3.92 2.01 -0.04 -4.95 115.64 119.54 2ayx s THR 734 Ca 0.41 -0.88 -0.29 0.00 0.31 0.00 0.00 61.69 61.24 2ayx s THR 734 Cb -0.18 -1.34 -0.05 0.00 0.01 0.00 0.00 72.50 70.95 2ayx s THR 734 CO 0.17 0.45 1.80 -0.89 -0.69 0.00 0.00 174.62 175.46 2ayx s THR 735 N -0.49 3.42 -0.37 -0.82 2.01 -1.26 -0.97 115.64 117.17 2ayx s THR 735 Ca 0.08 0.48 -0.22 0.00 0.31 0.00 0.00 61.69 62.35 2ayx s THR 735 Cb -0.08 -3.42 0.01 0.00 0.01 0.00 0.00 72.50 69.02 2ayx s THR 735 CO -0.01 -0.16 0.70 -0.47 -0.69 0.00 0.00 174.62 173.99 2ayx s TYR 736 N 5.52 3.12 -0.03 4.92 5.04 0.03 -4.85 117.35 131.10 2ayx s TYR 736 Ca 0.80 0.39 -0.01 0.00 -2.44 0.00 0.00 57.07 55.81 2ayx s TYR 736 Cb -0.31 -3.27 -0.01 0.00 0.35 0.00 0.00 41.96 38.72 2ayx s TYR 736 CO 0.33 -0.70 -0.04 0.39 -1.34 0.00 0.00 175.55 174.20 2ayx n GLU 737 N 6.22 0.06 -2.51 4.97 1.02 -1.26 -4.54 120.64 124.61 2ayx n GLU 737 Ca 0.00 0.03 -0.02 0.00 -0.02 0.00 0.00 57.16 57.15 2ayx n GLU 737 Cb 0.48 -0.61 0.10 0.00 -0.02 0.00 0.00 31.44 31.39 2ayx n GLU 737 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ayx n GLY 738 N 2.84 1.86 3.96 0.62 0.00 -1.26 -5.14 105.19 108.06 2ayx n GLY 738 Ca -0.06 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.43 2ayx n GLY 738 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ayx s GLN 739 N -0.35 1.48 0.11 1.61 1.11 -1.26 -5.08 119.66 117.27 2ayx s GLN 739 Ca 0.11 -0.65 -0.07 0.00 0.01 0.00 0.00 55.36 54.76 2ayx s GLN 739 Cb 0.39 -2.13 -0.06 0.00 -1.01 0.00 0.00 33.01 30.21 2ayx s GLN 739 CO -0.11 -1.71 0.38 -1.21 0.01 0.00 0.00 175.29 172.65 2ayx s GLU 740 N -5.42 3.67 -0.19 2.91 2.02 -1.26 -5.06 118.70 115.36 2ayx s GLU 740 Ca 0.67 0.01 -0.25 0.00 0.02 0.00 0.00 54.97 55.43 2ayx s GLU 740 Cb -0.06 -2.92 -0.01 0.00 0.10 0.00 0.00 34.13 31.24 2ayx s GLU 740 CO 0.47 0.51 0.82 -1.25 0.02 0.00 0.00 175.26 175.84 2ayx s PRO 741 N -2.32 4.26 -0.12 0.39 0.05 -1.26 -5.06 135.00 130.95 2ayx s PRO 741 Ca 0.37 0.98 -0.05 0.00 0.05 0.00 0.00 61.00 62.35 2ayx s PRO 741 Cb -0.13 -3.60 -0.04 0.00 0.05 0.00 0.00 34.50 30.79 2ayx s PRO 741 CO 0.21 -0.39 0.07 0.99 0.05 0.00 0.00 177.00 177.94 2ayx s THR 742 N 2.37 4.92 -1.90 1.26 2.01 -1.26 -4.78 115.64 118.26 2ayx s THR 742 Ca 0.37 -0.01 0.10 0.00 0.31 0.00 0.00 61.69 62.45 2ayx s THR 742 Cb -0.16 -3.13 0.25 0.00 0.01 0.00 0.00 72.50 69.47 2ayx s THR 742 CO 0.11 0.58 1.05 -0.81 -0.69 0.00 0.00 174.62 174.86 2ayx n PRO 743 N 2.33 0.27 0.00 4.92 -0.04 -1.26 -0.70 135.00 140.52 2ayx n PRO 743 Ca -0.19 0.03 0.06 0.00 -0.04 0.00 0.00 63.50 63.37 2ayx n PRO 743 Cb 0.54 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 2ayx n PRO 743 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2ayx n GLU 744 N -1.05 2.22 -4.17 0.54 -0.58 -1.26 -3.11 120.64 113.24 2ayx n GLU 744 Ca 0.07 -0.47 -0.24 0.00 -0.42 0.00 0.00 57.16 56.10 2ayx n GLU 744 Cb 0.04 -1.15 -0.06 0.00 -0.57 0.00 0.00 31.44 29.70 2ayx n GLU 744 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ayx s ASP 745 N -1.82 5.14 -0.03 1.62 1.01 0.12 -4.77 116.67 117.94 2ayx s ASP 745 Ca 0.09 -0.34 0.06 0.00 0.71 0.00 0.00 52.55 53.06 2ayx s ASP 745 Cb 0.10 -1.20 -0.01 0.00 1.01 0.00 0.00 42.92 42.82 2ayx s ASP 745 CO 0.39 0.02 -0.21 0.54 0.21 0.00 0.00 175.17 176.13 2ayx s VAL 746 N -2.00 1.67 -0.34 -1.27 0.11 -1.26 -0.83 120.40 116.48 2ayx s VAL 746 Ca 0.31 -0.87 -0.09 0.00 -2.93 0.00 0.00 61.98 58.40 2ayx s VAL 746 Cb -0.08 -1.41 0.02 0.00 -1.53 0.00 0.00 36.38 33.38 2ayx s VAL 746 CO 0.22 0.47 0.15 -0.22 -3.33 0.00 0.00 175.10 172.39 2ayx s LEU 747 N -0.24 4.37 -0.39 2.54 1.98 -0.45 -1.16 118.68 125.33 2ayx s LEU 747 Ca 0.01 -0.94 -0.14 0.00 -2.89 0.00 0.00 54.13 50.18 2ayx s LEU 747 Cb -0.11 -1.95 0.02 0.00 0.66 0.00 0.00 46.19 44.81 2ayx s LEU 747 CO 0.01 -0.31 0.28 -0.63 -1.89 0.00 0.00 176.35 173.81 2ayx s ILE 748 N 1.50 5.14 0.37 6.68 1.01 0.03 -0.60 121.20 135.34 2ayx s ILE 748 Ca 0.01 -0.64 0.09 0.00 0.00 0.00 0.00 60.65 60.11 2ayx s ILE 748 Cb -0.19 -3.84 -0.07 0.00 0.01 0.00 0.00 42.46 38.38 2ayx s ILE 748 CO 0.05 -0.26 -0.03 0.28 0.00 0.00 0.00 174.94 174.98 2ayx s THR 749 N 1.66 2.26 -0.09 2.92 -1.32 -0.13 -0.43 115.64 120.51 2ayx s THR 749 Ca 0.05 -2.07 0.01 0.00 -1.21 0.00 0.00 61.69 58.46 2ayx s THR 749 Cb -0.19 -2.80 -0.03 0.00 -1.51 0.00 0.00 72.50 67.98 2ayx s THR 749 CO 0.09 -0.13 -0.09 1.51 -2.21 0.00 0.00 174.62 173.79 2ayx s ASP 750 N -3.68 4.41 0.29 8.08 1.47 -1.01 -2.14 116.67 124.09 2ayx s ASP 750 Ca 0.34 -0.13 0.00 0.00 1.18 0.00 0.00 52.55 53.94 2ayx s ASP 750 Cb 0.04 -1.25 0.00 0.00 -0.34 0.00 0.00 42.92 41.37 2ayx s ASP 750 CO 0.18 0.30 0.00 1.21 0.68 0.00 0.00 175.17 177.54 2ayx n GLU 751 N 2.64 -2.09 -1.67 2.11 4.07 0.51 -4.74 120.64 121.48 2ayx n GLU 751 Ca -0.18 1.47 -0.46 0.00 -0.06 0.00 0.00 57.16 57.94 2ayx n GLU 751 Cb 0.53 -2.51 -0.04 0.00 -0.06 0.00 0.00 31.44 29.35 2ayx n GLU 751 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 2ayx n VAL 752 N -3.50 0.60 -3.90 6.31 3.14 -1.16 -4.79 118.33 115.03 2ayx n VAL 752 Ca -0.01 -0.11 -0.23 0.00 -2.96 0.00 0.00 64.34 61.04 2ayx n VAL 752 Cb 0.46 -2.02 -0.02 0.00 -1.06 0.00 0.00 33.84 31.20 2ayx n VAL 752 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2ayx s VAL 753 N 3.97 5.26 -0.24 1.55 0.11 -1.26 -5.02 120.40 124.76 2ayx s VAL 753 Ca 0.90 -0.85 0.12 0.00 -2.93 0.00 0.00 61.98 59.22 2ayx s VAL 753 Cb -0.59 -3.83 0.49 0.00 -1.53 0.00 0.00 36.38 30.92 2ayx s VAL 753 CO 0.47 -0.30 1.42 -1.20 -3.33 0.00 0.00 175.10 172.16 2ayx n SER 754 N -1.24 2.86 -4.60 3.54 7.64 -1.26 -4.71 113.62 115.86 2ayx n SER 754 Ca -0.08 -3.50 -0.27 0.00 1.01 0.00 0.00 58.87 56.03 2ayx n SER 754 Cb 0.56 -0.59 -0.11 0.00 -1.01 0.00 0.00 64.21 63.06 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 -3.09 1.91 -0.14 1.43 2.47 -1.26 -5.07 119.74 115.99 2ayx s LYS 755 Ca 0.43 -2.07 0.01 0.00 -1.56 0.00 0.00 55.97 52.78 2ayx s LYS 755 Cb 0.38 -1.59 -0.10 0.00 -1.46 0.00 0.00 37.83 35.06 2ayx s LYS 755 CO 0.02 -0.03 -0.12 1.63 0.16 0.00 0.00 175.35 177.01 2ayx n LYS 756 N -0.92 0.42 -2.66 4.03 4.01 -1.26 -5.09 118.16 116.68 2ayx n LYS 756 Ca -0.05 0.08 -0.04 0.00 -0.51 0.00 0.00 58.31 57.80 2ayx n LYS 756 Cb 0.66 -1.29 0.00 0.00 -0.51 0.00 0.00 35.03 33.90 2ayx n LYS 756 CO 0.00 0.00 0.00 1.87 -1.11 0.00 0.00 177.40 178.16 2ayx n TRP 757 N -2.91 -3.42 -1.50 2.13 -0.00 -1.26 -4.83 117.44 105.66 2ayx n TRP 757 Ca -0.25 1.45 -0.40 0.00 -0.00 0.00 0.00 57.50 58.29 2ayx n TRP 757 Cb 0.78 -3.83 -0.02 0.00 -0.00 0.00 0.00 31.31 28.25 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 0.17 2.77 0.00 5.87 1.13 -1.26 -4.79 117.38 121.27 2ayx n GLN 758 Ca 0.05 -2.33 0.00 0.00 -1.94 0.00 0.00 57.00 52.78 2ayx n GLN 758 Cb 0.20 -3.08 0.00 0.00 0.11 0.00 0.00 30.24 27.47 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 4.04 5.30 0.10 1.08 0.00 -1.26 -4.17 105.19 110.27 2ayx n GLY 759 Ca 0.57 -1.43 -0.16 0.00 0.00 0.00 0.00 46.02 45.00 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 0.18 -2.23 1.61 2.43 -0.92 -3.44 114.38 112.02 2ayx h ARG 760 Ca 0.00 -0.23 0.09 0.00 -0.81 0.00 0.00 59.98 59.03 2ayx h ARG 760 Cb 0.00 0.07 -0.16 0.00 -0.42 0.00 0.00 29.97 29.46 2ayx h ARG 760 CO 0.00 1.01 0.47 0.00 -1.51 0.00 0.00 179.97 179.94 2ayx s ALA 761 N -2.83 -1.82 -0.02 2.80 0.00 -1.19 -4.70 121.76 114.00 2ayx s ALA 761 Ca -0.16 1.06 0.03 0.00 0.00 0.00 0.00 51.96 52.89 2ayx s ALA 761 Cb 0.00 0.30 -0.00 0.00 0.00 0.00 0.00 23.12 23.42 2ayx s ALA 761 CO 0.75 -0.64 -0.10 0.54 0.00 0.00 0.00 175.76 176.31 2ayx s VAL 762 N -2.87 0.84 -0.19 0.00 0.11 0.27 -1.34 120.40 117.23 2ayx s VAL 762 Ca 0.03 -0.42 -0.01 0.00 -2.93 0.00 0.00 61.98 58.66 2ayx s VAL 762 Cb -0.01 -0.73 0.00 0.00 -1.53 0.00 0.00 36.38 34.11 2ayx s VAL 762 CO -0.07 0.25 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.13 2ayx s VAL 763 N 0.02 2.72 -0.46 2.04 1.01 0.24 -1.54 120.40 124.42 2ayx s VAL 763 Ca -0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 2ayx s VAL 763 Cb -0.07 -2.18 0.12 0.00 0.00 0.00 0.00 36.38 34.25 2ayx s VAL 763 CO 0.00 0.49 0.28 -0.89 0.00 0.00 0.00 175.10 174.99 2ayx s THR 764 N 1.20 3.65 -0.19 3.92 2.01 0.15 -0.96 115.64 125.42 2ayx s THR 764 Ca 0.02 -2.08 -0.29 0.00 0.31 0.00 0.00 61.69 59.64 2ayx s THR 764 Cb -0.14 -3.45 -0.01 0.00 0.01 0.00 0.00 72.50 68.91 2ayx s THR 764 CO -0.05 -0.74 1.19 -0.36 -0.69 0.00 0.00 174.62 173.96 2ayx s PHE 765 N 1.06 3.00 -0.09 4.92 0.08 -0.91 -2.10 117.98 123.93 2ayx s PHE 765 Ca 0.09 1.15 -0.15 0.00 0.12 0.00 0.00 56.93 58.13 2ayx s PHE 765 Cb -0.23 -3.45 -0.05 0.00 -0.57 0.00 0.00 43.02 38.72 2ayx s PHE 765 CO -0.03 -1.31 0.38 0.00 -0.10 0.00 0.00 175.22 174.16 2ayx n ARG 767 N 2.94 1.05 0.15 0.00 3.00 -1.26 -3.48 116.66 119.06 2ayx n ARG 767 Ca -0.12 0.05 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 2ayx n ARG 767 Cb 0.52 -1.26 0.00 0.00 0.00 0.00 0.00 32.46 31.72 2ayx n ARG 767 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2ayx n ARG 768 N -2.70 0.00 -4.49 -0.14 3.00 -1.26 -5.07 116.66 106.01 2ayx n ARG 768 Ca -0.21 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.34 2ayx n ARG 768 Cb 0.77 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 33.12 2ayx n ARG 768 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 2ayx s HIS 769 N -2.00 2.68 0.53 -0.14 3.76 -1.26 -5.10 115.29 113.76 2ayx s HIS 769 Ca 0.00 -0.18 0.05 0.00 -0.15 0.00 0.00 55.06 54.78 2ayx s HIS 769 Cb 0.00 -1.48 0.05 0.00 1.11 0.00 0.00 32.58 32.25 2ayx s HIS 769 CO 0.00 0.33 0.38 -0.89 -0.85 0.00 0.00 174.74 173.71 2ayx n ILE 770 N 1.31 0.00 0.00 0.60 -0.00 -1.26 -2.99 119.36 117.02 2ayx n ILE 770 Ca -0.15 -2.14 0.00 0.00 -0.00 0.00 0.00 62.75 60.46 2ayx n ILE 770 Cb 0.52 -0.01 0.00 0.00 -0.00 0.00 0.00 39.64 40.16 2ayx n ILE 770 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2ayx n GLY 771 N -1.44 0.52 3.81 7.39 0.00 -1.26 -4.86 105.19 109.35 2ayx n GLY 771 Ca -0.03 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 2ayx n GLY 771 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2ayx s ILE 772 N 0.00 4.37 0.00 -0.61 1.10 -1.26 -5.06 121.20 119.74 2ayx s ILE 772 Ca 0.00 1.53 0.00 0.00 -0.51 0.00 0.00 60.65 61.67 2ayx s ILE 772 Cb 0.00 -3.71 0.00 0.00 0.15 0.00 0.00 42.46 38.90 2ayx s ILE 772 CO 0.00 -0.18 0.00 -0.81 -2.11 0.00 0.00 174.94 171.84 2ayx n PRO 773 N -0.27 0.00 -1.56 3.50 -0.04 -1.26 -5.05 135.00 130.32 2ayx n PRO 773 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2ayx n PRO 773 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 2ayx n PRO 773 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2ayx n LEU 774 N 0.00 0.00 0.00 1.53 -0.00 -1.26 -4.71 117.00 112.56 2ayx n LEU 774 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2ayx n LEU 774 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.43 2ayx n LEU 774 CO 0.00 0.00 0.26 -0.62 -0.00 0.00 0.00 177.39 177.03 2ayx n GLU 775 N 0.00 0.01 0.04 1.47 4.71 0.03 -0.14 120.64 126.77 2ayx n GLU 775 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.16 57.26 2ayx n GLU 775 Cb 0.00 -1.50 0.46 0.00 -1.01 0.00 0.00 31.44 29.39 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 -1.00 0.07 -4.04 3.49 2.85 -1.26 -4.77 118.16 113.51 2ayx n LYS 776 Ca 0.00 0.19 -0.23 0.00 -1.05 0.00 0.00 58.31 57.22 2ayx n LYS 776 Cb 0.00 -1.61 -0.03 0.00 -0.65 0.00 0.00 35.03 32.74 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 -3.07 3.76 -0.82 0.58 0.00 0.81 -5.00 121.76 118.02 2ayx s ALA 777 Ca 0.10 -1.28 -0.10 0.00 0.00 0.00 0.00 51.96 50.68 2ayx s ALA 777 Cb 0.13 -1.53 -0.08 0.00 0.00 0.00 0.00 23.12 21.64 2ayx s ALA 777 CO 0.43 0.31 1.99 -0.35 0.00 0.00 0.00 175.76 178.14 2ayx n PRO 778 N -1.09 1.78 0.00 0.00 -0.04 -1.26 -3.44 135.00 130.96 2ayx n PRO 778 Ca -0.08 -1.52 0.00 0.00 -0.04 0.00 0.00 63.50 61.86 2ayx n PRO 778 Cb 0.57 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 2ayx n PRO 778 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ayx n GLY 779 N 4.01 0.91 3.07 0.55 0.00 -1.26 -4.87 105.19 107.61 2ayx n GLY 779 Ca 0.44 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.25 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 0.18 0.97 -0.15 1.61 -6.30 -1.22 -0.57 118.70 113.22 2ayx s GLU 780 Ca 0.00 -0.43 -0.04 0.00 -2.50 0.00 0.00 54.97 52.00 2ayx s GLU 780 Cb 0.00 -0.94 0.06 0.00 0.00 0.00 0.00 34.13 33.25 2ayx s GLU 780 CO 0.00 0.26 0.12 -1.58 0.02 0.00 0.00 175.26 174.08 2ayx s TRP 781 N -0.29 0.03 -0.02 5.30 0.52 -0.59 -0.79 118.94 123.11 2ayx s TRP 781 Ca 0.05 -0.01 0.00 0.00 0.02 0.00 0.00 56.10 56.16 2ayx s TRP 781 Cb -0.05 -0.54 -0.04 0.00 -1.15 0.00 0.00 33.47 31.70 2ayx s TRP 781 CO -0.00 -0.45 0.02 0.14 0.02 0.00 0.00 176.95 176.67 2ayx s VAL 782 N 2.20 4.35 -0.30 4.03 -7.23 -1.26 -0.67 120.40 121.52 2ayx s VAL 782 Ca 0.04 -0.47 -0.13 0.00 -1.81 0.00 0.00 61.98 59.61 2ayx s VAL 782 Cb -0.15 -2.93 0.14 0.00 0.56 0.00 0.00 36.38 34.01 2ayx s VAL 782 CO -0.08 0.42 0.84 -2.28 -0.31 0.00 0.00 175.10 173.69 2ayx s HIS 783 N -1.07 -0.95 -0.71 2.82 5.04 -0.89 -4.98 115.29 114.55 2ayx s HIS 783 Ca 0.19 1.68 -0.26 0.00 -1.54 0.00 0.00 55.06 55.13 2ayx s HIS 783 Cb -0.12 0.57 0.04 0.00 0.04 0.00 0.00 32.58 33.11 2ayx s HIS 783 CO 0.09 -0.47 1.21 -1.12 -2.34 0.00 0.00 174.74 172.11 2ayx s SER 784 N 2.49 6.19 0.34 9.88 0.01 -1.26 -1.82 113.70 129.54 2ayx s SER 784 Ca -0.05 -0.48 -0.12 0.00 1.31 0.00 0.00 55.95 56.62 2ayx s SER 784 Cb -0.08 -2.53 0.03 0.00 0.21 0.00 0.00 66.02 63.64 2ayx s SER 784 CO -0.18 -1.73 0.64 0.68 0.41 0.00 0.00 173.24 173.06 2ayx s VAL 785 N 5.35 0.00 -0.37 3.43 -7.23 -1.23 -4.89 120.40 115.47 2ayx s VAL 785 Ca 0.34 -1.25 0.05 0.00 -1.81 0.00 0.00 61.98 59.30 2ayx s VAL 785 Cb -0.09 -2.62 0.46 0.00 0.56 0.00 0.00 36.38 34.69 2ayx s VAL 785 CO 0.15 0.00 1.37 0.00 -0.31 0.00 0.00 175.10 176.31 2ayx n ALA 786 N -0.51 5.29 -2.83 1.32 0.00 -1.26 -4.70 120.51 117.80 2ayx n ALA 786 Ca -0.04 -3.72 -0.00 0.00 0.00 0.00 0.00 53.44 49.68 2ayx n ALA 786 Cb 0.61 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.76 -2.35 0.08 0.00 0.00 -1.26 -4.81 120.51 111.41 2ayx n ALA 787 Ca 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.88 2ayx n ALA 787 Cb 0.91 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 19.06 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 0.39 -0.22 0.00 0.00 0.11 -2.01 -3.48 132.00 126.78 2ayx h PRO 788 Ca -0.00 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2ayx h PRO 788 Cb 1.00 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2ayx h PRO 788 CO 0.26 -0.15 0.00 -2.39 -0.21 0.00 0.00 178.00 175.51 2ayx n HIS 789 N -3.12 0.00 -0.06 0.65 1.44 -1.26 -5.05 115.22 107.82 2ayx n HIS 789 Ca -0.03 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.50 2ayx n HIS 789 Cb 0.09 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.07 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 0.06 -0.25 -1.40 -0.00 -1.94 -3.11 114.58 107.93 2ayx h GLU 790 Ca 0.00 -0.10 -0.12 0.00 -0.00 0.00 0.00 59.36 59.14 2ayx h GLU 790 Cb 0.00 0.04 -0.00 0.00 -0.00 0.00 0.00 28.75 28.78 2ayx h GLU 790 CO 0.00 1.05 -0.33 -0.07 -0.00 0.00 0.00 179.01 179.66 2ayx h LEU 791 N -0.85 0.72 -1.32 3.06 3.38 -1.98 0.20 115.31 118.52 2ayx h LEU 791 Ca -0.18 -0.50 0.14 0.00 0.09 0.00 0.00 57.88 57.43 2ayx h LEU 791 Cb 1.27 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.74 2ayx h LEU 791 CO -0.06 1.08 0.56 1.55 0.09 0.00 0.00 178.44 181.67 2ayx h PRO 792 N 0.38 0.65 -0.28 1.13 0.13 -1.98 -0.42 132.00 131.61 2ayx h PRO 792 Ca 0.03 -0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 64.98 2ayx h PRO 792 Cb 0.91 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 2ayx h PRO 792 CO 0.08 0.43 -0.42 0.00 -0.23 0.00 0.00 178.00 177.86 2ayx h ALA 793 N 1.60 0.74 -0.82 -0.56 0.00 -1.39 -2.46 119.26 116.38 2ayx h ALA 793 Ca 0.43 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2ayx h ALA 793 Cb 0.71 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 2ayx h ALA 793 CO -0.19 0.66 0.44 1.25 0.00 0.00 0.00 179.25 181.41 2ayx h LEU 794 N 0.55 1.02 -0.50 0.00 7.12 0.21 0.08 115.31 123.79 2ayx h LEU 794 Ca 0.04 -0.09 -0.03 0.00 0.13 0.00 0.00 57.88 57.93 2ayx h LEU 794 Cb 0.96 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 40.80 2ayx h LEU 794 CO 0.09 0.83 0.20 0.25 -0.13 0.00 0.00 178.44 179.68 2ayx h LEU 795 N 1.15 0.69 -1.27 2.25 7.12 -0.90 1.00 115.31 125.36 2ayx h LEU 795 Ca 0.29 -0.17 -0.07 0.00 0.13 0.00 0.00 57.88 58.06 2ayx h LEU 795 Cb 0.04 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 39.98 2ayx h LEU 795 CO -0.05 0.67 -0.30 0.00 -0.13 0.00 0.00 178.44 178.63 2ayx h ALA 796 N 1.05 1.39 -0.17 1.25 0.00 -1.04 -1.89 119.26 119.84 2ayx h ALA 796 Ca 0.17 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 2ayx h ALA 796 Cb 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2ayx h ALA 796 CO -0.01 0.44 -0.32 -0.09 0.00 0.00 0.00 179.25 179.27 2ayx h ARG 797 N 0.09 0.51 -0.07 0.00 9.65 -0.43 0.62 114.38 124.75 2ayx h ARG 797 Ca 0.01 -0.33 -0.06 0.00 -1.10 0.00 0.00 59.98 58.51 2ayx h ARG 797 Cb 0.59 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.20 2ayx h ARG 797 CO 0.04 0.93 -0.24 0.97 2.80 0.00 0.00 179.97 184.48 2ayx h ILE 798 N 0.15 1.21 0.00 1.20 6.09 -0.59 -2.04 117.51 123.52 2ayx h ILE 798 Ca 0.01 -0.97 -0.18 0.00 -1.37 0.00 0.00 64.86 62.35 2ayx h ILE 798 Cb 0.91 1.42 -0.03 0.00 0.47 0.00 0.00 36.82 39.59 2ayx h ILE 798 CO 0.07 0.29 -1.04 1.88 -3.07 0.00 0.00 178.15 176.27 2ayx h TYR 799 N 0.11 0.00 -3.72 2.19 -1.99 -1.33 -3.48 116.97 108.74 2ayx h TYR 799 Ca 0.02 0.00 -0.19 0.00 2.00 0.00 0.00 58.73 60.56 2ayx h TYR 799 Cb 0.49 0.00 0.08 0.00 2.00 0.00 0.00 36.73 39.30 2ayx h TYR 799 CO 0.00 0.76 -0.38 1.28 -0.00 0.00 0.00 178.16 179.83 2ayx n LEU 800 N -3.17 -2.91 -0.08 3.88 4.77 0.17 -4.98 117.00 114.69 2ayx n LEU 800 Ca -0.04 -0.30 -0.11 0.00 -0.03 0.00 0.00 56.01 55.52 2ayx n LEU 800 Cb 0.87 -1.85 -0.07 0.00 -2.33 0.00 0.00 43.42 40.05 2ayx n LEU 800 CO 0.44 0.27 -0.14 0.40 -1.33 0.00 0.00 177.39 177.03 2ayx h ILE 801 N -1.19 0.75 -6.35 -0.08 2.04 -1.74 -3.49 117.51 107.45 2ayx h ILE 801 Ca -0.30 -1.71 -0.47 0.00 1.00 0.00 0.00 64.86 63.37 2ayx h ILE 801 Cb 1.18 1.57 -0.03 0.00 -0.74 0.00 0.00 36.82 38.80 2ayx h ILE 801 CO 0.27 0.25 -0.84 -0.62 0.00 0.00 0.00 178.15 177.22 2ayx n GLU 802 N -4.59 -4.21 -0.02 2.37 1.02 -1.26 -4.89 120.64 109.07 2ayx n GLU 802 Ca -0.14 0.51 -0.09 0.00 -0.02 0.00 0.00 57.16 57.41 2ayx n GLU 802 Cb 0.40 -4.97 -0.14 0.00 -0.02 0.00 0.00 31.44 26.71 2ayx n GLU 802 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 2ayx n MET 803 N -4.40 0.64 -3.58 3.49 1.56 -1.26 -4.78 117.12 108.78 2ayx n MET 803 Ca -0.21 0.30 -0.39 0.00 -0.27 0.00 0.00 57.70 57.13 2ayx n MET 803 Cb 0.64 -1.79 -0.11 0.00 2.15 0.00 0.00 33.22 34.10 2ayx n MET 803 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 2ayx s GLU 804 N -2.60 3.56 -1.28 2.12 0.41 -1.26 -5.01 118.70 114.64 2ayx s GLU 804 Ca -0.06 -0.59 -0.14 0.00 -0.41 0.00 0.00 54.97 53.78 2ayx s GLU 804 Cb 0.08 -3.69 0.13 0.00 -1.78 0.00 0.00 34.13 28.86 2ayx s GLU 804 CO 0.82 -0.37 1.71 0.43 -0.49 0.00 0.00 175.26 177.36 2ayx n SER 805 N 5.06 4.96 0.09 -0.19 7.64 -1.26 -4.71 113.62 125.20 2ayx n SER 805 Ca -0.13 -2.98 -0.04 0.00 1.01 0.00 0.00 58.87 56.73 2ayx n SER 805 Cb 0.50 -1.60 -0.06 0.00 -1.01 0.00 0.00 64.21 62.04 2ayx n SER 805 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2ayx h ASP 806 N 6.78 0.00 -5.09 6.43 3.58 -1.99 -3.49 116.42 122.63 2ayx h ASP 806 Ca 0.40 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.85 2ayx h ASP 806 Cb 0.79 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.84 2ayx h ASP 806 CO 1.47 0.83 -0.39 -0.67 -2.88 0.00 0.00 179.24 177.60 2ayx n ASP 807 N -3.34 -7.43 -0.17 2.28 2.03 -1.26 -4.95 116.55 103.70 2ayx n ASP 807 Ca 0.00 0.41 -0.09 0.00 0.52 0.00 0.00 54.79 55.64 2ayx n ASP 807 Cb 0.86 -5.02 0.01 0.00 -0.72 0.00 0.00 41.12 36.25 2ayx n ASP 807 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2ayx h PRO 808 N 1.62 0.79 0.00 -0.67 0.11 -1.94 -3.47 132.00 128.44 2ayx h PRO 808 Ca 0.00 -0.20 0.00 0.00 0.11 0.00 0.00 66.00 65.91 2ayx h PRO 808 Cb 0.93 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.94 2ayx h PRO 808 CO 0.20 0.78 0.00 0.00 -0.21 0.00 0.00 178.00 178.76 2ayx n ALA 809 N -2.39 0.00 -3.64 -0.75 0.00 -1.26 -4.64 120.51 107.84 2ayx n ALA 809 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.39 2ayx n ALA 809 Cb 0.23 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.61 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 -4.00 -0.51 0.13 0.00 2.47 -1.26 -5.05 114.94 106.72 2ayx s ASN 810 Ca 0.00 0.90 0.02 0.00 0.42 0.00 0.00 52.86 54.20 2ayx s ASN 810 Cb 0.00 1.05 -0.14 0.00 -1.45 0.00 0.00 41.25 40.71 2ayx s ASN 810 CO 0.00 -0.15 1.28 0.00 -3.72 0.00 0.00 177.10 174.51 2ayx h ALA 811 N 5.11 0.35 -1.99 1.71 0.00 -2.02 -3.46 119.26 118.96 2ayx h ALA 811 Ca -0.28 -0.82 -0.01 0.00 0.00 0.00 0.00 54.91 53.79 2ayx h ALA 811 Cb 1.19 -0.07 -0.21 0.00 0.00 0.00 0.00 17.79 18.69 2ayx h ALA 811 CO 0.14 1.03 0.09 -0.51 0.00 0.00 0.00 179.25 180.00 2ayx s LEU 812 N -7.14 -0.83 -1.00 0.00 1.43 -1.26 -5.07 118.68 104.82 2ayx s LEU 812 Ca -0.02 1.46 -0.20 0.00 -1.03 0.00 0.00 54.13 54.34 2ayx s LEU 812 Cb 0.09 2.41 -0.09 0.00 0.03 0.00 0.00 46.19 48.63 2ayx s LEU 812 CO 0.84 -0.24 2.01 -2.65 0.23 0.00 0.00 176.35 176.54 2ayx n PRO 813 N 3.39 1.93 0.06 1.29 -0.02 -1.26 -4.75 135.00 135.65 2ayx n PRO 813 Ca -0.17 -2.11 -0.12 0.00 -2.02 0.00 0.00 63.50 59.09 2ayx n PRO 813 Cb 0.57 -3.06 -0.06 0.00 -0.02 0.00 0.00 33.50 30.93 2ayx n PRO 813 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2ayx h SER 814 N 7.38 -0.23 -3.70 2.55 4.64 -2.01 -3.43 113.55 118.75 2ayx h SER 814 Ca 0.46 0.03 -0.23 0.00 -0.47 0.00 0.00 61.79 61.58 2ayx h SER 814 Cb 0.67 0.09 -0.29 0.00 -0.31 0.00 0.00 62.40 62.57 2ayx h SER 814 CO 1.91 -0.12 -0.70 -0.89 -0.87 0.00 0.00 176.83 176.16 2ayx s THR 815 N -6.16 -0.01 -0.34 2.95 2.01 -1.26 -5.11 115.64 107.71 2ayx s THR 815 Ca -0.14 0.03 -0.29 0.00 0.31 0.00 0.00 61.69 61.60 2ayx s THR 815 Cb 0.07 -0.04 0.00 0.00 0.01 0.00 0.00 72.50 72.54 2ayx s THR 815 CO 0.66 0.01 1.38 -0.62 -0.69 0.00 0.00 174.62 175.36 2ayx s ASP 816 N 0.16 6.49 -0.26 3.53 2.15 -1.26 -4.99 116.67 122.48 2ayx s ASP 816 Ca -0.01 1.07 -0.12 0.00 0.43 0.00 0.00 52.55 53.91 2ayx s ASP 816 Cb -0.02 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 40.02 2ayx s ASP 816 CO -0.00 -1.26 0.25 -0.75 -0.17 0.00 0.00 175.17 173.24 2ayx s LYS 817 N 4.57 4.01 -0.14 4.34 2.20 -1.26 -5.05 119.74 128.40 2ayx s LYS 817 Ca 0.60 -0.17 -0.29 0.00 -0.36 0.00 0.00 55.97 55.75 2ayx s LYS 817 Cb -0.16 -3.63 -0.01 0.00 -1.51 0.00 0.00 37.83 32.52 2ayx s LYS 817 CO 0.28 -0.16 1.08 0.00 -0.36 0.00 0.00 175.35 176.20 2ayx s ALA 818 N 1.70 3.54 -0.73 3.13 0.00 -1.26 -4.99 121.76 123.14 2ayx s ALA 818 Ca 0.10 0.37 -0.16 0.00 0.00 0.00 0.00 51.96 52.27 2ayx s ALA 818 Cb -0.15 -3.51 0.16 0.00 0.00 0.00 0.00 23.12 19.62 2ayx s ALA 818 CO 0.09 -0.84 0.76 0.08 0.00 0.00 0.00 175.76 175.85 2ayx s VAL 819 N 2.60 5.18 -0.40 0.00 1.01 -1.26 -5.00 120.40 122.54 2ayx s VAL 819 Ca 0.49 -1.76 -0.06 0.00 0.00 0.00 0.00 61.98 60.65 2ayx s VAL 819 Cb -0.19 -4.50 0.09 0.00 0.00 0.00 0.00 36.38 31.77 2ayx s VAL 819 CO 0.14 -1.11 0.21 -0.44 0.00 0.00 0.00 175.10 173.91 2ayx s SER 820 N 3.06 5.44 -0.06 3.32 0.01 -1.26 -5.08 113.70 119.13 2ayx s SER 820 Ca 0.16 -1.64 0.06 0.00 1.31 0.00 0.00 55.95 55.83 2ayx s SER 820 Cb -0.17 -1.91 -0.01 0.00 0.21 0.00 0.00 66.02 64.15 2ayx s SER 820 CO -0.03 -0.51 -0.24 -0.62 0.41 0.00 0.00 173.24 172.25 2ayx s ASP 821 N 1.96 2.96 0.00 2.44 2.15 -1.26 -4.91 116.67 120.01 2ayx s ASP 821 Ca 0.04 -0.50 0.00 0.00 0.43 0.00 0.00 52.55 52.52 2ayx s ASP 821 Cb -0.23 -0.87 0.00 0.00 -0.30 0.00 0.00 42.92 41.53 2ayx s ASP 821 CO -0.00 0.23 0.00 -3.20 -0.17 0.00 0.00 175.17 172.02 2ayx n ASN 822 N 3.03 0.00 -3.85 -0.34 2.85 -1.26 -4.99 115.26 110.70 2ayx n ASN 822 Ca -0.18 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 53.87 2ayx n ASN 822 Cb 0.52 0.08 0.00 0.00 1.24 0.00 0.00 39.78 41.63 2ayx n ASN 822 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2ayx n ASP 823 N -1.45 4.96 -3.43 1.20 2.03 -1.26 -4.78 116.55 113.82 2ayx n ASP 823 Ca 0.00 -3.08 -0.26 0.00 0.52 0.00 0.00 54.79 51.96 2ayx n ASP 823 Cb 0.00 -1.50 -0.09 0.00 -0.72 0.00 0.00 41.12 38.81 2ayx n ASP 823 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2ayx n ASP 824 N 4.08 1.26 -4.46 1.67 2.03 -1.26 -5.02 116.55 114.85 2ayx n ASP 824 Ca 0.41 -2.85 -0.43 0.00 0.52 0.00 0.00 54.79 52.43 2ayx n ASP 824 Cb 0.36 -0.64 -0.08 0.00 -0.72 0.00 0.00 41.12 40.04 2ayx n ASP 824 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 2ayx s MET 825 N -1.14 3.10 -0.30 -0.67 -2.45 -1.26 -5.02 119.30 111.55 2ayx s MET 825 Ca 0.34 -0.85 -0.12 0.00 -1.25 0.00 0.00 55.69 53.80 2ayx s MET 825 Cb 0.09 -4.02 -0.04 0.00 1.25 0.00 0.00 34.83 32.11 2ayx s MET 825 CO -0.13 -0.98 0.21 1.41 1.05 0.00 0.00 175.02 176.57 2ayx s MET 826 N 2.24 3.77 -0.17 4.11 1.75 -1.26 -2.28 119.30 127.47 2ayx s MET 826 Ca 0.12 -0.44 -0.04 0.00 -1.25 0.00 0.00 55.69 54.08 2ayx s MET 826 Cb -0.18 -3.71 -0.03 0.00 2.84 0.00 0.00 34.83 33.75 2ayx s MET 826 CO 0.12 -0.28 -0.02 0.42 -0.65 0.00 0.00 175.02 174.61 2ayx s ILE 827 N 1.74 3.97 -0.18 10.11 -1.09 0.14 -1.25 121.20 134.64 2ayx s ILE 827 Ca 0.07 -0.33 -0.06 0.00 -2.23 0.00 0.00 60.65 58.10 2ayx s ILE 827 Cb -0.16 -2.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.93 2ayx s ILE 827 CO 0.11 0.48 0.04 -0.22 -1.23 0.00 0.00 174.94 174.11 2ayx s LEU 828 N 0.50 3.62 -0.25 2.97 2.96 -0.74 -1.18 118.68 126.56 2ayx s LEU 828 Ca -0.02 -0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.86 2ayx s LEU 828 Cb -0.14 -1.91 0.03 0.00 0.50 0.00 0.00 46.19 44.66 2ayx s LEU 828 CO 0.02 0.15 -0.05 0.54 -1.32 0.00 0.00 176.35 175.69 2ayx s VAL 829 N 0.51 2.94 -0.39 1.68 0.11 -0.01 -0.68 120.40 124.57 2ayx s VAL 829 Ca 0.01 -1.03 -0.07 0.00 -2.93 0.00 0.00 61.98 57.97 2ayx s VAL 829 Cb -0.13 -2.51 0.07 0.00 -1.53 0.00 0.00 36.38 32.28 2ayx s VAL 829 CO 0.01 0.17 0.19 -0.69 -3.33 0.00 0.00 175.10 171.46 2ayx s VAL 830 N 1.33 3.85 -0.05 2.04 1.01 -0.07 -0.75 120.40 127.75 2ayx s VAL 830 Ca -0.00 -1.47 0.05 0.00 0.00 0.00 0.00 61.98 60.56 2ayx s VAL 830 Cb -0.17 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 2ayx s VAL 830 CO -0.04 -0.44 -0.21 -0.62 0.00 0.00 0.00 175.10 173.80 2ayx s ASP 831 N 1.84 3.46 0.47 3.32 -1.08 -1.04 -0.71 116.67 122.93 2ayx s ASP 831 Ca 0.02 -0.38 0.27 0.00 -0.52 0.00 0.00 52.55 51.94 2ayx s ASP 831 Cb -0.22 -0.80 0.92 0.00 -1.46 0.00 0.00 42.92 41.37 2ayx s ASP 831 CO 0.01 0.29 1.82 -2.24 0.52 0.00 0.00 175.17 175.56 2ayx h ASP 832 N 5.76 0.00 -3.62 -0.34 3.04 -1.80 -3.41 116.42 116.05 2ayx h ASP 832 Ca -0.39 0.00 -0.69 0.00 -3.24 0.00 0.00 57.03 52.71 2ayx h ASP 832 Cb 1.16 0.00 -0.31 0.00 -1.04 0.00 0.00 39.33 39.14 2ayx h ASP 832 CO 0.49 0.13 -0.60 -1.00 -2.04 0.00 0.00 179.24 176.22 2ayx s HIS 833 N -3.54 3.35 0.26 4.15 3.76 -1.26 -4.98 115.29 117.03 2ayx s HIS 833 Ca 0.02 -1.81 -0.02 0.00 -0.15 0.00 0.00 55.06 53.10 2ayx s HIS 833 Cb 0.09 -2.56 0.54 0.00 1.11 0.00 0.00 32.58 31.76 2ayx s HIS 833 CO 0.62 -0.83 1.70 -1.35 -0.85 0.00 0.00 174.74 174.03 2ayx h PRO 834 N 8.14 0.34 -0.41 8.40 0.11 -1.99 0.14 132.00 146.73 2ayx h PRO 834 Ca -0.20 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.82 2ayx h PRO 834 Cb 1.07 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 2ayx h PRO 834 CO 0.63 0.22 -0.05 0.97 -0.21 0.00 0.00 178.00 179.56 2ayx h ILE 835 N 0.35 1.24 -0.02 4.15 -0.00 -1.97 -1.30 117.51 119.95 2ayx h ILE 835 Ca 0.46 -1.02 -0.21 0.00 -0.00 0.00 0.00 64.86 64.09 2ayx h ILE 835 Cb 0.79 0.97 -0.00 0.00 -0.00 0.00 0.00 36.82 38.59 2ayx h ILE 835 CO -0.50 0.35 -0.89 0.78 -0.00 0.00 0.00 178.15 177.90 2ayx h ASN 836 N 0.65 0.51 -0.61 2.19 4.21 -1.58 -2.19 115.58 118.76 2ayx h ASN 836 Ca 0.12 -0.39 0.10 0.00 1.21 0.00 0.00 56.30 57.34 2ayx h ASN 836 Cb 0.47 -0.15 -0.08 0.00 -1.12 0.00 0.00 38.32 37.44 2ayx h ASN 836 CO 0.02 1.18 0.21 -0.09 -1.29 0.00 0.00 177.43 177.46 2ayx h ARG 837 N 0.24 0.36 0.00 0.81 2.43 -0.24 0.12 114.38 118.10 2ayx h ARG 837 Ca -0.07 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 58.97 2ayx h ARG 837 Cb 1.51 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.96 2ayx h ARG 837 CO 0.15 0.24 -0.53 0.07 -1.51 0.00 0.00 179.97 178.40 2ayx h ARG 838 N 0.37 0.00 0.20 0.20 -0.00 -1.18 -2.46 114.38 111.51 2ayx h ARG 838 Ca 0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 60.28 2ayx h ARG 838 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.38 2ayx h ARG 838 CO -0.33 0.53 -0.09 -0.07 -0.00 0.00 0.00 179.97 180.00 2ayx h LEU 839 N 0.00 -0.22 -0.87 0.08 3.38 -0.36 -0.19 115.31 117.13 2ayx h LEU 839 Ca -0.01 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.60 2ayx h LEU 839 Cb 1.01 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2ayx h LEU 839 CO 0.07 0.18 -0.47 0.17 0.09 0.00 0.00 178.44 178.47 2ayx h LEU 840 N -0.66 0.00 -1.08 1.67 -0.00 -1.33 -2.15 115.31 111.76 2ayx h LEU 840 Ca -0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.79 2ayx h LEU 840 Cb 0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.11 2ayx h LEU 840 CO 0.04 0.47 -0.01 0.00 -0.00 0.00 0.00 178.44 178.95 2ayx h ALA 841 N 1.53 1.25 -0.43 0.17 0.00 -1.39 -0.46 119.26 119.92 2ayx h ALA 841 Ca -0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2ayx h ALA 841 Cb 0.97 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2ayx h ALA 841 CO 0.06 0.50 0.09 0.22 0.00 0.00 0.00 179.25 180.13 2ayx h ASP 842 N 0.60 0.66 -0.42 0.00 3.58 -0.40 0.61 116.42 121.05 2ayx h ASP 842 Ca 0.12 -0.24 0.03 0.00 0.42 0.00 0.00 57.03 57.36 2ayx h ASP 842 Cb 0.39 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.24 2ayx h ASP 842 CO 0.02 0.73 0.22 1.56 -2.88 0.00 0.00 179.24 178.89 2ayx h GLN 843 N 0.56 0.43 -0.72 0.28 7.50 -1.03 0.38 115.11 122.50 2ayx h GLN 843 Ca 0.13 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.26 2ayx h GLN 843 Cb 0.34 -0.10 -0.04 0.00 0.05 0.00 0.00 27.48 27.74 2ayx h GLN 843 CO 0.00 0.28 0.45 1.25 -1.50 0.00 0.00 178.83 179.32 2ayx h LEU 844 N 0.44 0.85 -1.65 1.46 6.46 -0.84 -1.43 115.31 120.60 2ayx h LEU 844 Ca 0.18 -0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.87 2ayx h LEU 844 Cb 0.07 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 39.78 2ayx h LEU 844 CO -0.11 0.64 -0.10 1.23 -0.62 0.00 0.00 178.44 179.48 2ayx h GLY 845 N 0.98 0.00 1.97 3.75 0.00 -0.35 -2.16 103.07 107.27 2ayx h GLY 845 Ca 0.26 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.43 2ayx h GLY 845 CO -0.05 0.00 -0.77 1.76 0.00 0.00 0.00 176.54 177.47 2ayx h SER 846 N 0.00 0.03 -0.26 0.19 0.02 0.14 -3.11 113.55 110.57 2ayx h SER 846 Ca -0.00 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.85 2ayx h SER 846 Cb 0.48 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 2ayx h SER 846 CO 0.01 0.79 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.29 2ayx h LEU 847 N 0.01 0.57 0.00 5.07 -0.00 -0.91 -3.49 115.31 116.56 2ayx h LEU 847 Ca -0.01 -0.42 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 2ayx h LEU 847 Cb 1.37 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.87 2ayx h LEU 847 CO 0.10 0.86 0.00 0.61 -0.00 0.00 0.00 178.44 180.01 2ayx n GLY 848 N -0.01 0.76 2.90 0.83 0.00 -0.94 -5.13 105.19 103.60 2ayx n GLY 848 Ca -0.04 -0.79 -0.16 0.00 0.00 0.00 0.00 46.02 45.04 2ayx n GLY 848 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2ayx n TYR 849 N 0.00 -0.96 -2.41 1.61 4.01 -1.25 -5.08 117.16 113.07 2ayx n TYR 849 Ca 0.00 -2.33 -0.43 0.00 -0.16 0.00 0.00 57.90 54.99 2ayx n TYR 849 Cb 0.00 0.35 -0.02 0.00 -0.31 0.00 0.00 39.34 39.36 2ayx n TYR 849 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2ayx s GLN 850 N -3.00 4.28 -0.16 -0.72 1.11 -0.96 -4.77 119.66 115.43 2ayx s GLN 850 Ca 0.32 1.70 0.01 0.00 0.01 0.00 0.00 55.36 57.39 2ayx s GLN 850 Cb 0.01 -3.68 0.02 0.00 -1.01 0.00 0.00 33.01 28.35 2ayx s GLN 850 CO 0.22 -0.61 -0.17 0.00 0.01 0.00 0.00 175.29 174.75 2ayx s LYS 852 N 1.35 3.02 -0.35 0.00 2.47 -0.32 -4.99 119.74 120.92 2ayx s LYS 852 Ca 0.04 -0.88 -0.21 0.00 -1.56 0.00 0.00 55.97 53.35 2ayx s LYS 852 Cb -0.13 -3.22 0.00 0.00 -1.46 0.00 0.00 37.83 33.02 2ayx s LYS 852 CO -0.11 -0.41 0.68 0.95 0.16 0.00 0.00 175.35 176.62 2ayx s THR 853 N 1.44 4.85 0.30 3.43 -4.23 -1.26 -0.83 115.64 119.34 2ayx s THR 853 Ca 0.02 0.70 0.03 0.00 -1.18 0.00 0.00 61.69 61.25 2ayx s THR 853 Cb -0.17 -4.11 -0.05 0.00 1.34 0.00 0.00 72.50 69.51 2ayx s THR 853 CO -0.00 -0.33 0.10 0.00 -0.54 0.00 0.00 174.62 173.85 2ayx s ALA 854 N 2.81 2.09 -0.32 3.99 0.00 0.07 -4.55 121.76 125.85 2ayx s ALA 854 Ca 0.26 -1.82 0.06 0.00 0.00 0.00 0.00 51.96 50.46 2ayx s ALA 854 Cb -0.14 0.93 0.19 0.00 0.00 0.00 0.00 23.12 24.10 2ayx s ALA 854 CO 0.15 -0.41 0.62 1.21 0.00 0.00 0.00 175.76 177.33 2ayx s ASN 855 N -3.41 -1.55 0.00 0.00 3.84 -1.26 -2.50 114.94 110.06 2ayx s ASN 855 Ca 0.35 -0.05 0.00 0.00 0.21 0.00 0.00 52.86 53.38 2ayx s ASN 855 Cb 0.07 1.97 0.00 0.00 -0.55 0.00 0.00 41.25 42.74 2ayx s ASN 855 CO 0.15 -0.26 0.00 -0.67 -2.79 0.00 0.00 177.10 173.53 2ayx n ASP 856 N 5.15 0.00 -0.09 -4.21 2.03 -1.26 -4.11 116.55 114.06 2ayx n ASP 856 Ca 0.07 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.17 2ayx n ASP 856 Cb 0.55 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.83 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 0.02 1.61 0.27 0.00 -2.00 -3.32 103.07 99.65 2ayx h GLY 857 Ca 0.00 -0.06 -0.19 0.00 0.00 0.00 0.00 47.33 47.08 2ayx h GLY 857 CO 0.00 0.05 -0.79 -0.39 0.00 0.00 0.00 176.54 175.41 2ayx h VAL 858 N -0.93 1.40 0.00 4.60 -1.51 -1.96 -3.12 116.25 114.73 2ayx h VAL 858 Ca -0.31 -2.26 0.00 0.00 -1.23 0.00 0.00 66.70 62.90 2ayx h VAL 858 Cb 1.32 2.22 0.00 0.00 -2.13 0.00 0.00 31.29 32.70 2ayx h VAL 858 CO -0.17 0.68 0.00 -0.78 -1.23 0.00 0.00 177.57 176.07 2ayx h ASP 859 N 0.24 0.00 0.23 4.19 3.58 -1.96 0.33 116.42 123.04 2ayx h ASP 859 Ca -0.04 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 2ayx h ASP 859 Cb 1.38 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.43 2ayx h ASP 859 CO 0.13 0.00 -0.11 0.00 -2.88 0.00 0.00 179.24 176.38 2ayx h ALA 860 N 2.04 -0.31 -0.79 -0.78 0.00 -1.64 0.15 119.26 117.92 2ayx h ALA 860 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2ayx h ALA 860 Cb 0.43 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2ayx h ALA 860 CO 0.00 -0.56 0.46 1.25 0.00 0.00 0.00 179.25 180.40 2ayx h LEU 861 N -0.55 0.97 -2.07 0.00 5.85 -1.57 -1.66 115.31 116.27 2ayx h LEU 861 Ca -0.03 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 2ayx h LEU 861 Cb 0.41 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 2ayx h LEU 861 CO 0.05 0.76 -0.00 -1.13 -0.34 0.00 0.00 178.44 177.78 2ayx h ASN 862 N 1.09 0.00 0.26 1.25 -1.24 -0.83 -1.49 115.58 114.61 2ayx h ASN 862 Ca 0.28 0.00 -0.17 0.00 0.71 0.00 0.00 56.30 57.12 2ayx h ASN 862 Cb -0.01 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.03 2ayx h ASN 862 CO -0.05 0.00 -0.68 1.62 -1.29 0.00 0.00 177.43 177.03 2ayx h VAL 863 N 0.00 1.38 -0.24 2.57 3.04 0.28 -0.10 116.25 123.18 2ayx h VAL 863 Ca -0.00 -2.08 -0.06 0.00 -1.01 0.00 0.00 66.70 63.56 2ayx h VAL 863 Cb 0.00 2.05 -0.01 0.00 -2.01 0.00 0.00 31.29 31.32 2ayx h VAL 863 CO 0.00 0.62 -0.10 -0.07 -1.01 0.00 0.00 177.57 177.01 2ayx h LEU 864 N 0.27 0.36 -0.23 3.16 3.38 -1.04 -0.12 115.31 121.08 2ayx h LEU 864 Ca -0.02 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 2ayx h LEU 864 Cb 1.24 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2ayx h LEU 864 CO 0.12 0.51 -0.44 0.28 0.09 0.00 0.00 178.44 178.99 2ayx h SER 865 N 0.36 0.00 0.02 -0.43 0.02 -1.13 -3.33 113.55 109.06 2ayx h SER 865 Ca 0.07 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 2ayx h SER 865 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2ayx h SER 865 CO 0.02 0.44 -0.18 0.11 -1.14 0.00 0.00 176.83 176.08 2ayx h LYS 866 N 0.00 0.09 -3.30 3.45 1.57 -0.18 -3.49 116.57 114.71 2ayx h LYS 866 Ca -0.00 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.59 2ayx h LYS 866 Cb 1.25 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.57 2ayx h LYS 866 CO 0.06 0.97 0.13 0.54 -0.57 0.00 0.00 179.45 180.58 2ayx s ASN 867 N -6.31 0.15 -0.70 0.86 2.20 -0.14 -5.09 114.94 105.91 2ayx s ASN 867 Ca -0.17 -1.11 -0.20 0.00 -0.94 0.00 0.00 52.86 50.43 2ayx s ASN 867 Cb -0.01 0.77 0.10 0.00 -2.00 0.00 0.00 41.25 40.11 2ayx s ASN 867 CO 0.72 -1.51 0.90 -2.28 -2.94 0.00 0.00 177.10 172.00 2ayx s HIS 868 N -2.87 2.94 -0.10 1.54 5.65 -1.26 -4.17 115.29 117.01 2ayx s HIS 868 Ca 0.19 -0.95 -0.15 0.00 0.25 0.00 0.00 55.06 54.39 2ayx s HIS 868 Cb -0.04 -4.17 -0.05 0.00 -1.18 0.00 0.00 32.58 27.14 2ayx s HIS 868 CO 0.12 -1.46 0.37 0.42 -0.65 0.00 0.00 174.74 173.54 2ayx s ILE 869 N 3.09 5.20 -0.11 0.89 1.09 -1.26 -4.65 121.20 125.45 2ayx s ILE 869 Ca 0.20 0.73 -0.16 0.00 -1.10 0.00 0.00 60.65 60.33 2ayx s ILE 869 Cb -0.16 -3.69 -0.27 0.00 -1.06 0.00 0.00 42.46 37.28 2ayx s ILE 869 CO 0.03 0.44 0.53 0.44 -0.10 0.00 0.00 174.94 176.29 2ayx h ASP 870 N 5.99 0.35 -3.26 3.58 3.32 -1.57 -3.46 116.42 121.38 2ayx h ASP 870 Ca -0.45 -0.84 -0.63 0.00 0.02 0.00 0.00 57.03 55.13 2ayx h ASP 870 Cb 1.19 -0.11 -0.34 0.00 0.22 0.00 0.00 39.33 40.28 2ayx h ASP 870 CO 0.70 1.61 -0.85 -0.63 -1.72 0.00 0.00 179.24 178.35 2ayx s ILE 871 N -2.47 1.78 -0.23 0.35 -1.09 -1.24 -4.08 121.20 114.22 2ayx s ILE 871 Ca -0.21 -0.82 -0.07 0.00 -2.23 0.00 0.00 60.65 57.32 2ayx s ILE 871 Cb 0.04 -1.59 -0.03 0.00 -1.58 0.00 0.00 42.46 39.31 2ayx s ILE 871 CO 0.75 0.50 0.05 -0.69 -1.23 0.00 0.00 174.94 174.32 2ayx s VAL 872 N 0.79 4.28 -0.24 2.92 1.01 -1.11 -1.79 120.40 126.26 2ayx s VAL 872 Ca -0.09 -0.19 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 2ayx s VAL 872 Cb -0.16 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 2ayx s VAL 872 CO 0.00 0.38 0.09 -0.76 0.00 0.00 0.00 175.10 174.81 2ayx s LEU 873 N 1.30 3.58 -0.38 3.92 1.43 0.15 -0.50 118.68 128.18 2ayx s LEU 873 Ca 0.05 -0.13 -0.07 0.00 -1.03 0.00 0.00 54.13 52.95 2ayx s LEU 873 Cb -0.15 -1.96 0.07 0.00 0.03 0.00 0.00 46.19 44.18 2ayx s LEU 873 CO 0.03 -0.00 0.17 -0.44 0.23 0.00 0.00 176.35 176.34 2ayx s SER 874 N 1.45 5.40 -0.25 2.29 0.01 0.02 -0.89 113.70 121.72 2ayx s SER 874 Ca 0.06 -1.44 -0.07 0.00 1.31 0.00 0.00 55.95 55.80 2ayx s SER 874 Cb -0.15 -1.90 -0.03 0.00 0.21 0.00 0.00 66.02 64.16 2ayx s SER 874 CO 0.04 -0.44 0.07 -0.62 0.41 0.00 0.00 173.24 172.71 2ayx s ASP 875 N 1.74 5.14 -0.14 2.44 -1.08 0.11 -0.97 116.67 123.91 2ayx s ASP 875 Ca 0.01 -0.21 0.00 0.00 -0.52 0.00 0.00 52.55 51.83 2ayx s ASP 875 Cb -0.21 -1.92 0.02 0.00 -1.46 0.00 0.00 42.92 39.35 2ayx s ASP 875 CO 0.01 -0.04 -0.12 -0.69 0.52 0.00 0.00 175.17 174.86 2ayx s VAL 876 N 1.62 1.38 -0.12 1.11 1.01 -0.17 -2.29 120.40 122.93 2ayx s VAL 876 Ca 0.06 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.56 2ayx s VAL 876 Cb -0.15 -1.33 -0.10 0.00 0.00 0.00 0.00 36.38 34.80 2ayx s VAL 876 CO 0.04 0.42 -0.06 -3.20 0.00 0.00 0.00 175.10 172.30 2ayx n ASN 877 N 4.83 2.78 -4.21 3.32 4.05 -1.26 -1.72 115.26 123.05 2ayx n ASN 877 Ca -0.15 -0.05 -0.31 0.00 0.45 0.00 0.00 54.58 54.52 2ayx n ASN 877 Cb 0.50 0.14 -0.17 0.00 1.23 0.00 0.00 39.78 41.48 2ayx n ASN 877 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 177.26 174.17 2ayx s MET 878 N -2.26 2.70 -1.54 1.20 -1.94 -1.26 -4.79 119.30 111.40 2ayx s MET 878 Ca -0.13 -0.82 -0.12 0.00 -1.71 0.00 0.00 55.69 52.91 2ayx s MET 878 Cb 0.04 -2.12 -0.02 0.00 2.01 0.00 0.00 34.83 34.73 2ayx s MET 878 CO 0.35 0.22 2.60 -2.30 -0.01 0.00 0.00 175.02 175.88 2ayx n PRO 879 N 3.37 3.29 0.01 2.03 -0.02 -1.26 -4.58 135.00 137.85 2ayx n PRO 879 Ca -0.19 -2.40 0.14 0.00 -2.02 0.00 0.00 63.50 59.02 2ayx n PRO 879 Cb 0.53 -3.04 0.53 0.00 -0.02 0.00 0.00 33.50 31.50 2ayx n PRO 879 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2ayx n ASN 880 N 4.81 0.15 -3.70 2.55 3.02 -1.26 -4.51 115.26 116.33 2ayx n ASN 880 Ca 0.66 0.37 -0.14 0.00 -0.03 0.00 0.00 54.58 55.43 2ayx n ASN 880 Cb 0.31 -0.38 -0.09 0.00 -0.61 0.00 0.00 39.78 39.02 2ayx n ASN 880 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2ayx s MET 881 N -3.01 0.65 0.20 3.52 -2.45 -1.26 -4.63 119.30 112.33 2ayx s MET 881 Ca 0.13 0.38 -0.31 0.00 -1.25 0.00 0.00 55.69 54.65 2ayx s MET 881 Cb 0.18 0.31 -0.10 0.00 1.25 0.00 0.00 34.83 36.47 2ayx s MET 881 CO 0.57 -0.13 1.49 0.34 1.05 0.00 0.00 175.02 178.33 2ayx s ASP 882 N -0.36 6.64 0.00 1.11 -1.08 -1.26 -4.93 116.67 116.79 2ayx s ASP 882 Ca -0.05 2.62 0.19 0.00 -0.52 0.00 0.00 52.55 54.79 2ayx s ASP 882 Cb -0.03 -2.61 0.23 0.00 -1.46 0.00 0.00 42.92 39.05 2ayx s ASP 882 CO 0.03 -0.75 1.17 0.61 0.52 0.00 0.00 175.17 176.76 2ayx n GLY 883 N 2.91 0.94 0.19 2.66 0.00 -1.26 -4.41 105.19 106.23 2ayx n GLY 883 Ca 0.10 -0.57 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 2ayx n GLY 883 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2ayx h TYR 884 N 3.68 0.78 -0.43 1.61 3.20 -2.01 -2.58 116.97 121.23 2ayx h TYR 884 Ca 0.00 -0.27 0.05 0.00 3.14 0.00 0.00 58.73 61.65 2ayx h TYR 884 Cb 0.82 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.91 2ayx h TYR 884 CO 0.08 1.01 0.29 -0.09 -1.64 0.00 0.00 178.16 177.81 2ayx h ARG 885 N 0.33 0.36 0.55 1.82 1.12 -2.00 -2.16 114.38 114.40 2ayx h ARG 885 Ca 0.02 -0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 58.84 2ayx h ARG 885 Cb 0.94 -0.08 0.01 0.00 -0.01 0.00 0.00 29.97 30.82 2ayx h ARG 885 CO 0.08 0.24 -0.26 1.25 -3.11 0.00 0.00 179.97 178.17 2ayx h LEU 886 N 0.37 -0.62 -0.36 3.80 5.85 -1.70 -0.18 115.31 122.46 2ayx h LEU 886 Ca 0.18 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 2ayx h LEU 886 Cb 0.26 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2ayx h LEU 886 CO -0.04 -0.35 0.02 0.71 -0.34 0.00 0.00 178.44 178.44 2ayx h THR 887 N -0.87 1.25 0.03 1.05 1.35 -1.42 -1.26 112.91 113.04 2ayx h THR 887 Ca -0.08 -0.93 -0.00 0.00 -0.55 0.00 0.00 66.41 64.85 2ayx h THR 887 Cb 0.62 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 2ayx h THR 887 CO 0.12 0.31 -0.02 -0.61 -0.25 0.00 0.00 175.52 175.08 2ayx h GLN 888 N 0.45 -0.04 -0.51 4.72 5.75 -1.41 -2.41 115.11 121.66 2ayx h GLN 888 Ca 0.11 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.52 2ayx h GLN 888 Cb 0.42 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 2ayx h GLN 888 CO 0.01 0.03 -0.03 0.00 -2.65 0.00 0.00 178.83 176.20 2ayx h ARG 889 N -0.11 0.92 -0.60 1.69 3.08 -0.97 -0.47 114.38 117.92 2ayx h ARG 889 Ca -0.00 -0.31 -0.06 0.00 0.07 0.00 0.00 59.98 59.68 2ayx h ARG 889 Cb 0.10 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 2ayx h ARG 889 CO 0.01 0.96 0.15 0.97 -1.07 0.00 0.00 179.97 180.99 2ayx h ILE 890 N 0.79 1.25 0.01 2.04 2.10 -1.18 -0.01 117.51 122.51 2ayx h ILE 890 Ca 0.14 -0.90 -0.20 0.00 1.08 0.00 0.00 64.86 64.99 2ayx h ILE 890 Cb 0.56 0.69 -0.01 0.00 -1.09 0.00 0.00 36.82 36.97 2ayx h ILE 890 CO 0.03 0.34 -0.88 0.08 -1.08 0.00 0.00 178.15 176.64 2ayx h ARG 891 N 0.87 0.16 -0.17 2.19 0.11 -1.37 -2.30 114.38 113.87 2ayx h ARG 891 Ca 0.19 -0.18 -0.07 0.00 0.10 0.00 0.00 59.98 60.01 2ayx h ARG 891 Cb 0.35 0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.48 2ayx h ARG 891 CO 0.00 0.94 -0.18 0.37 0.10 0.00 0.00 179.97 181.20 2ayx h GLN 892 N 0.09 0.41 0.00 0.08 4.15 -0.74 -3.22 115.11 115.88 2ayx h GLN 892 Ca -0.04 -0.23 -0.11 0.00 0.77 0.00 0.00 58.65 59.05 2ayx h GLN 892 Cb 1.52 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 29.20 2ayx h GLN 892 CO 0.13 0.79 -0.52 -0.07 -1.93 0.00 0.00 178.83 177.24 2ayx h LEU 893 N 0.06 0.00 0.00 -2.39 3.38 -1.10 -3.46 115.31 111.80 2ayx h LEU 893 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2ayx h LEU 893 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2ayx h LEU 893 CO 0.04 0.52 0.00 0.61 0.09 0.00 0.00 178.44 179.70 2ayx n GLY 894 N 0.61 -0.59 3.70 0.83 0.00 -1.15 -5.11 105.19 103.49 2ayx n GLY 894 Ca 0.00 0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2ayx n GLY 894 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ayx s LEU 895 N 0.00 4.28 0.00 0.99 0.20 -0.88 -4.90 118.68 118.36 2ayx s LEU 895 Ca 0.00 1.23 0.00 0.00 0.69 0.00 0.00 54.13 56.05 2ayx s LEU 895 Cb 0.00 -3.18 0.00 0.00 -0.43 0.00 0.00 46.19 42.58 2ayx s LEU 895 CO 0.00 -0.22 0.02 1.07 -0.29 0.00 0.00 176.35 176.93 2ayx n THR 896 N 4.11 0.00 -4.40 3.68 5.66 -1.26 -4.98 114.28 117.09 2ayx n THR 896 Ca 0.01 -0.27 -0.22 0.00 -3.05 0.00 0.00 64.05 60.52 2ayx n THR 896 Cb 0.50 1.03 -0.11 0.00 -1.55 0.00 0.00 70.33 70.21 2ayx n THR 896 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 2ayx s LEU 897 N -0.99 2.52 0.30 1.09 2.34 -1.26 -5.12 118.68 117.57 2ayx s LEU 897 Ca 0.00 -0.96 -0.29 0.00 0.06 0.00 0.00 54.13 52.94 2ayx s LEU 897 Cb 0.00 -0.94 -0.10 0.00 -0.56 0.00 0.00 46.19 44.60 2ayx s LEU 897 CO 0.00 -0.02 1.18 -2.84 -1.06 0.00 0.00 176.35 173.61 2ayx s PRO 898 N -3.25 4.51 -0.10 1.48 0.02 -1.26 -4.94 135.00 131.47 2ayx s PRO 898 Ca 0.23 1.97 0.01 0.00 0.02 0.00 0.00 61.00 63.23 2ayx s PRO 898 Cb -0.05 -3.13 -0.02 0.00 0.02 0.00 0.00 34.50 31.33 2ayx s PRO 898 CO 0.10 0.04 -0.14 0.08 -0.33 0.00 0.00 177.00 176.75 2ayx s VAL 899 N -1.16 2.98 -0.33 3.83 1.01 -1.09 -2.73 120.40 122.90 2ayx s VAL 899 Ca 0.47 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 2ayx s VAL 899 Cb -0.35 -2.22 -0.00 0.00 0.00 0.00 0.00 36.38 33.81 2ayx s VAL 899 CO 0.46 0.55 0.18 -0.63 0.00 0.00 0.00 175.10 175.65 2ayx s ILE 900 N 0.03 4.73 -0.43 2.22 1.01 0.34 -1.19 121.20 127.90 2ayx s ILE 900 Ca -0.05 -0.48 -0.19 0.00 0.00 0.00 0.00 60.65 59.93 2ayx s ILE 900 Cb -0.14 -3.47 0.02 0.00 0.01 0.00 0.00 42.46 38.88 2ayx s ILE 900 CO 0.04 -0.02 0.55 -0.83 0.00 0.00 0.00 174.94 174.68 2ayx s GLY 901 N 1.62 1.80 -0.25 6.18 0.00 0.12 -0.80 107.32 115.99 2ayx s GLY 901 Ca 0.04 -1.38 -0.06 0.00 0.00 0.00 0.00 44.72 43.32 2ayx s GLY 901 CO 0.07 1.36 0.03 0.54 0.00 0.00 0.00 173.10 175.11 2ayx s VAL 902 N 2.50 3.92 0.10 1.40 0.11 -0.15 -1.19 120.40 127.09 2ayx s VAL 902 Ca 0.17 -0.40 0.05 0.00 -2.93 0.00 0.00 61.98 58.87 2ayx s VAL 902 Cb -0.16 -2.86 -0.04 0.00 -1.53 0.00 0.00 36.38 31.80 2ayx s VAL 902 CO 0.16 0.30 -0.13 -0.89 -3.33 0.00 0.00 175.10 171.22 2ayx s THR 903 N 1.54 1.15 -0.57 5.04 2.01 -0.16 -1.00 115.64 123.65 2ayx s THR 903 Ca 0.05 -1.61 -0.26 0.00 0.31 0.00 0.00 61.69 60.18 2ayx s THR 903 Cb -0.15 -1.38 0.04 0.00 0.01 0.00 0.00 72.50 71.01 2ayx s THR 903 CO 0.01 -0.43 1.08 0.00 -0.69 0.00 0.00 174.62 174.58 2ayx s ALA 904 N -2.09 3.07 -0.06 7.40 0.00 -0.70 -1.04 121.76 128.33 2ayx s ALA 904 Ca 0.06 -1.04 -0.04 0.00 0.00 0.00 0.00 51.96 50.94 2ayx s ALA 904 Cb -0.05 -3.90 0.02 0.00 0.00 0.00 0.00 23.12 19.18 2ayx s ALA 904 CO 0.02 -2.55 0.08 0.09 0.00 0.00 0.00 175.76 173.40 2ayx n ASN 905 N 8.01 -3.13 -2.47 0.00 3.02 -1.26 -4.80 115.26 114.63 2ayx n ASN 905 Ca 0.05 0.86 -0.22 0.00 -0.03 0.00 0.00 54.58 55.25 2ayx n ASN 905 Cb 0.48 -3.35 -0.12 0.00 -0.61 0.00 0.00 39.78 36.18 2ayx n ASN 905 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ayx n ALA 906 N 0.97 6.75 -0.05 5.41 0.00 -1.26 -4.43 120.51 127.90 2ayx n ALA 906 Ca -0.14 -2.49 -0.02 0.00 0.00 0.00 0.00 53.44 50.79 2ayx n ALA 906 Cb 0.22 -2.63 -0.02 0.00 0.00 0.00 0.00 19.45 17.02 2ayx n ALA 906 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2ayx h LEU 907 N 5.52 0.00 0.00 0.00 3.38 -1.98 -3.36 115.31 118.87 2ayx h LEU 907 Ca 0.42 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2ayx h LEU 907 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2ayx h LEU 907 CO 0.77 0.58 -1.36 0.00 0.09 0.00 0.00 178.44 178.51 2ayx n ALA 908 N -2.83 2.71 0.13 1.53 0.00 -1.26 -4.37 120.51 116.42 2ayx n ALA 908 Ca -0.02 -0.35 -0.13 0.00 0.00 0.00 0.00 53.44 52.94 2ayx n ALA 908 Cb 0.07 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 18.50 2ayx n ALA 908 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2ayx h GLU 909 N 0.00 -0.44 -0.65 0.00 4.22 -1.81 -2.55 114.58 113.34 2ayx h GLU 909 Ca 0.00 0.03 0.13 0.00 0.08 0.00 0.00 59.36 59.60 2ayx h GLU 909 Cb 0.97 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 30.23 2ayx h GLU 909 CO 0.00 -0.29 0.14 1.49 -2.18 0.00 0.00 179.01 178.17 2ayx h GLU 910 N -0.46 0.26 0.19 1.92 4.57 -1.76 0.60 114.58 119.90 2ayx h GLU 910 Ca 0.01 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2ayx h GLU 910 Cb 0.45 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 2ayx h GLU 910 CO -0.09 0.17 -0.09 -0.22 -1.18 0.00 0.00 179.01 177.59 2ayx h LYS 911 N 0.26 -0.25 -0.24 1.92 3.11 -1.75 -2.44 116.57 117.18 2ayx h LYS 911 Ca 0.35 0.02 -0.10 0.00 -2.81 0.00 0.00 60.65 58.11 2ayx h LYS 911 Cb 0.55 0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 31.83 2ayx h LYS 911 CO -0.44 0.01 -0.22 0.37 -2.81 0.00 0.00 179.45 176.36 2ayx h GLN 912 N -0.50 0.58 0.00 1.90 5.75 -1.03 -2.15 115.11 119.67 2ayx h GLN 912 Ca -0.03 -0.30 -0.05 0.00 -0.15 0.00 0.00 58.65 58.13 2ayx h GLN 912 Cb 0.38 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 2ayx h GLN 912 CO 0.04 0.89 -0.22 0.07 -2.65 0.00 0.00 178.83 176.97 2ayx h ARG 913 N 0.29 0.00 -0.08 1.69 0.11 -0.96 0.38 114.38 115.81 2ayx h ARG 913 Ca 0.04 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.88 2ayx h ARG 913 Cb 0.77 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.87 2ayx h ARG 913 CO 0.06 0.22 -0.91 0.00 0.10 0.00 0.00 179.97 179.44 2ayx h LEU 915 N 0.47 0.77 -0.15 0.00 -0.00 -0.62 -3.05 115.31 112.74 2ayx h LEU 915 Ca -0.09 -0.23 -0.15 0.00 -0.00 0.00 0.00 57.88 57.40 2ayx h LEU 915 Cb 1.55 -0.20 0.01 0.00 -0.00 0.00 0.00 40.66 42.01 2ayx h LEU 915 CO 0.18 0.81 -0.51 -0.33 -0.00 0.00 0.00 178.44 178.58 2ayx h GLU 916 N 0.70 0.61 -6.32 1.13 4.39 -1.03 -3.48 114.58 110.59 2ayx h GLU 916 Ca 0.16 -0.46 -0.46 0.00 0.34 0.00 0.00 59.36 58.94 2ayx h GLU 916 Cb 0.34 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2ayx h GLU 916 CO 0.00 1.08 -0.86 0.43 -1.16 0.00 0.00 179.01 178.50 2ayx n SER 917 N -4.18 -0.65 -0.09 1.42 7.64 -0.09 -4.90 113.62 112.76 2ayx n SER 917 Ca -0.07 -0.93 0.05 0.00 1.01 0.00 0.00 58.87 58.94 2ayx n SER 917 Cb 0.60 -3.48 0.07 0.00 -1.01 0.00 0.00 64.21 60.39 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 -1.81 3.34 0.00 0.23 0.00 -1.26 -4.97 105.19 100.72 2ayx n GLY 918 Ca -0.31 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.91 0.00 0.00 1.61 2.81 -1.26 -4.68 117.12 114.69 2ayx n MET 919 Ca 0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 2ayx n MET 919 Cb 0.52 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.03 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 0.00 0.00 -4.68 7.83 2.03 -0.34 -2.68 116.55 118.72 2ayx n ASP 920 Ca 0.00 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.07 2ayx n ASP 920 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 2ayx n ASP 920 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2ayx s SER 921 N 0.00 4.43 -0.12 1.67 0.01 -0.91 -5.03 113.70 113.76 2ayx s SER 921 Ca 0.00 -0.87 -0.11 0.00 1.31 0.00 0.00 55.95 56.28 2ayx s SER 921 Cb 0.00 -0.64 0.03 0.00 0.21 0.00 0.00 66.02 65.62 2ayx s SER 921 CO 0.00 -0.25 0.32 0.00 0.41 0.00 0.00 173.24 173.72 2ayx s LEU 923 N 0.15 1.01 0.18 0.00 2.34 -0.33 -4.95 118.68 117.07 2ayx s LEU 923 Ca -0.00 -1.47 -0.14 0.00 0.06 0.00 0.00 54.13 52.58 2ayx s LEU 923 Cb -0.02 1.42 -0.07 0.00 -0.56 0.00 0.00 46.19 46.95 2ayx s LEU 923 CO 0.00 -1.27 0.57 -0.94 -1.06 0.00 0.00 176.35 173.65 2ayx s SER 924 N -3.23 6.80 0.21 1.48 1.04 -1.26 -0.99 113.70 117.75 2ayx s SER 924 Ca 0.31 1.08 -0.16 0.00 0.48 0.00 0.00 55.95 57.66 2ayx s SER 924 Cb -0.00 -2.29 0.22 0.00 0.10 0.00 0.00 66.02 64.05 2ayx s SER 924 CO 0.20 0.05 1.60 0.50 0.98 0.00 0.00 173.24 176.57 2ayx h LYS 925 N 3.28 -0.06 -3.86 4.02 3.11 -1.36 -2.81 116.57 118.90 2ayx h LYS 925 Ca -0.48 0.00 -0.52 0.00 -2.81 0.00 0.00 60.65 56.84 2ayx h LYS 925 Cb 1.19 0.01 0.03 0.00 -1.00 0.00 0.00 32.23 32.46 2ayx h LYS 925 CO 0.66 -0.04 2.60 -0.35 -2.81 0.00 0.00 179.45 179.51 2ayx n PRO 926 N -5.46 2.01 -2.36 1.90 -0.04 -1.26 -4.93 135.00 124.85 2ayx n PRO 926 Ca 0.07 -1.73 -0.35 0.00 -0.04 0.00 0.00 63.50 61.45 2ayx n PRO 926 Cb 0.36 -2.71 -0.01 0.00 -0.04 0.00 0.00 33.50 31.10 2ayx n PRO 926 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2ayx s VAL 927 N 3.94 3.37 0.25 0.52 0.11 -1.06 -5.05 120.40 122.48 2ayx s VAL 927 Ca 0.48 0.90 0.06 0.00 -2.93 0.00 0.00 61.98 60.50 2ayx s VAL 927 Cb 0.13 -3.39 -0.03 0.00 -1.53 0.00 0.00 36.38 31.55 2ayx s VAL 927 CO 0.02 -0.14 0.29 0.42 -3.33 0.00 0.00 175.10 172.36 2ayx s THR 928 N -1.77 4.82 0.19 5.04 -4.23 -1.26 -4.98 115.64 113.44 2ayx s THR 928 Ca 0.68 -1.19 -0.12 0.00 -1.18 0.00 0.00 61.69 59.89 2ayx s THR 928 Cb -0.23 -3.62 0.10 0.00 1.34 0.00 0.00 72.50 70.09 2ayx s THR 928 CO 0.27 -0.33 1.79 0.25 -0.54 0.00 0.00 174.62 176.05 2ayx h LEU 929 N 1.31 0.39 -0.34 4.79 6.46 -1.98 -0.22 115.31 125.71 2ayx h LEU 929 Ca -0.50 0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.24 2ayx h LEU 929 Cb 1.24 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 41.12 2ayx h LEU 929 CO 0.61 0.26 0.01 -0.78 -0.62 0.00 0.00 178.44 177.92 2ayx h ASP 930 N 0.53 0.58 -0.55 1.25 3.58 -1.98 -0.08 116.42 119.74 2ayx h ASP 930 Ca 0.25 -0.30 -0.04 0.00 0.42 0.00 0.00 57.03 57.37 2ayx h ASP 930 Cb 0.18 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 2ayx h ASP 930 CO -0.18 0.73 0.19 0.58 -2.88 0.00 0.00 179.24 177.68 2ayx h VAL 931 N 0.40 1.23 -0.23 2.25 2.07 -1.90 -0.02 116.25 120.06 2ayx h VAL 931 Ca 0.10 -0.75 -0.08 0.00 0.82 0.00 0.00 66.70 66.79 2ayx h VAL 931 Cb 0.43 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2ayx h VAL 931 CO 0.01 0.28 -0.23 -0.29 0.02 0.00 0.00 177.57 177.37 2ayx h ILE 932 N 0.76 1.25 -0.05 4.57 -0.00 -0.91 -2.22 117.51 120.91 2ayx h ILE 932 Ca 0.18 -1.18 -0.02 0.00 -0.00 0.00 0.00 64.86 63.84 2ayx h ILE 932 Cb 0.24 1.33 -0.00 0.00 -0.00 0.00 0.00 36.82 38.39 2ayx h ILE 932 CO -0.01 0.37 -0.05 0.50 -0.00 0.00 0.00 178.15 178.96 2ayx h LYS 933 N 0.37 0.13 -0.59 2.19 3.11 -0.39 -2.07 116.57 119.32 2ayx h LYS 933 Ca 0.06 -0.07 -0.08 0.00 -2.81 0.00 0.00 60.65 57.75 2ayx h LYS 933 Cb 0.60 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.82 2ayx h LYS 933 CO 0.04 0.58 0.05 -0.56 -2.81 0.00 0.00 179.45 176.75 2ayx h GLN 934 N -0.32 1.00 -0.45 1.90 3.07 -0.98 0.05 115.11 119.37 2ayx h GLN 934 Ca 0.01 -0.29 -0.04 0.00 0.09 0.00 0.00 58.65 58.41 2ayx h GLN 934 Cb 0.56 -0.10 -0.02 0.00 0.08 0.00 0.00 27.48 28.00 2ayx h GLN 934 CO 0.01 0.97 0.12 1.15 0.09 0.00 0.00 178.83 181.17 2ayx h THR 935 N 0.90 1.23 -0.52 1.86 2.02 -1.44 0.29 112.91 117.25 2ayx h THR 935 Ca 0.17 -0.80 -0.07 0.00 0.77 0.00 0.00 66.41 66.48 2ayx h THR 935 Cb 0.49 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 2ayx h THR 935 CO 0.02 0.28 0.04 -0.07 0.37 0.00 0.00 175.52 176.16 2ayx h LEU 936 N 0.60 0.87 -0.37 2.58 4.07 -1.20 -1.98 115.31 119.88 2ayx h LEU 936 Ca 0.14 -0.29 -0.05 0.00 0.08 0.00 0.00 57.88 57.77 2ayx h LEU 936 Cb 0.31 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 2ayx h LEU 936 CO -0.00 0.94 0.05 0.74 -1.08 0.00 0.00 178.44 179.08 2ayx h THR 937 N 0.76 1.24 -0.97 0.22 2.02 -0.80 0.13 112.91 115.53 2ayx h THR 937 Ca 0.15 -0.88 0.01 0.00 0.77 0.00 0.00 66.41 66.46 2ayx h THR 937 Cb 0.47 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.94 2ayx h THR 937 CO 0.02 0.30 0.63 0.25 0.37 0.00 0.00 175.52 177.09 2ayx h LEU 938 N 0.46 1.12 -0.39 2.58 7.12 -0.86 -1.31 115.31 124.02 2ayx h LEU 938 Ca 0.11 -0.04 -0.19 0.00 0.13 0.00 0.00 57.88 57.90 2ayx h LEU 938 Cb 0.38 -0.28 -0.00 0.00 -0.53 0.00 0.00 40.66 40.23 2ayx h LEU 938 CO 0.01 0.82 -0.69 1.88 -0.13 0.00 0.00 178.44 180.33 2ayx h TYR 939 N 1.31 0.69 -0.79 1.25 0.05 -1.14 -0.31 116.97 118.03 2ayx h TYR 939 Ca 0.35 -0.29 -0.03 0.00 0.05 0.00 0.00 58.73 58.82 2ayx h TYR 939 Cb -0.14 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 37.45 2ayx h TYR 939 CO -0.00 1.05 0.39 0.00 -1.05 0.00 0.00 178.16 178.55 2ayx h ALA 940 N 0.87 1.19 0.00 3.88 0.00 -0.49 -0.68 119.26 124.03 2ayx h ALA 940 Ca -0.02 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2ayx h ALA 940 Cb 1.27 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2ayx h ALA 940 CO 0.13 0.62 -0.40 1.05 0.00 0.00 0.00 179.25 180.65 2ayx h GLU 941 N 1.12 0.00 -0.12 0.00 -0.00 -1.16 -2.39 114.58 112.04 2ayx h GLU 941 Ca 0.27 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.61 2ayx h GLU 941 Cb 0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.85 2ayx h GLU 941 CO -0.04 0.40 -0.03 -0.09 -0.00 0.00 0.00 179.01 179.25 2ayx h ARG 942 N 0.00 0.23 0.00 1.06 2.43 -0.21 -1.96 114.38 115.94 2ayx h ARG 942 Ca -0.00 -0.09 -0.09 0.00 -0.81 0.00 0.00 59.98 58.99 2ayx h ARG 942 Cb 1.27 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 2ayx h ARG 942 CO 0.05 0.54 -0.42 -0.39 -1.51 0.00 0.00 179.97 178.25 2ayx h VAL 943 N -0.09 1.18 -0.45 0.20 -1.51 -1.21 -1.83 116.25 112.54 2ayx h VAL 943 Ca 0.03 -1.49 0.04 0.00 -1.23 0.00 0.00 66.70 64.05 2ayx h VAL 943 Cb 0.46 1.83 -0.02 0.00 -2.13 0.00 0.00 31.29 31.42 2ayx h VAL 943 CO 0.01 0.41 0.30 -0.09 -1.23 0.00 0.00 177.57 176.97 2ayx h ARG 944 N 0.00 0.44 -0.05 5.19 1.12 -1.15 0.71 114.38 120.62 2ayx h ARG 944 Ca -0.00 -0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 58.82 2ayx h ARG 944 Cb 0.80 -0.10 -0.00 0.00 -0.01 0.00 0.00 29.97 30.66 2ayx h ARG 944 CO 0.05 0.29 -0.04 0.87 -3.11 0.00 0.00 179.97 178.03 2ayx h LYS 945 N 0.45 0.12 -0.28 0.20 1.79 -0.55 0.08 116.57 118.37 2ayx h LYS 945 Ca 0.19 -0.06 -0.13 0.00 -2.18 0.00 0.00 60.65 58.47 2ayx h LYS 945 Cb 0.18 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.83 2ayx h LYS 945 CO -0.05 0.54 -0.32 0.77 -1.08 0.00 0.00 179.45 179.31 2ayx h SER 946 N -0.30 0.77 0.39 0.86 0.02 -1.23 -3.31 113.55 110.75 2ayx h SER 946 Ca 0.01 -0.49 -0.31 0.00 -0.84 0.00 0.00 61.79 60.16 2ayx h SER 946 Cb 0.51 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 2ayx h SER 946 CO 0.01 1.10 -1.75 0.03 -1.14 0.00 0.00 176.83 175.08 2ayx h ARG 947 N 0.45 0.11 0.00 3.45 3.08 -0.99 -3.51 114.38 116.98 2ayx h ARG 947 Ca 0.04 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2ayx h ARG 947 Cb 0.90 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.02 2ayx h ARG 947 CO 0.08 0.80 0.00 -3.47 -1.07 0.00 0.00 179.97 176.31 2ayx n ASP 948 N -3.24 -5.39 -0.47 7.04 -0.08 0.01 -5.06 116.55 109.36 2ayx n ASP 948 Ca -0.21 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.13 2ayx n ASP 948 Cb 1.05 0.00 0.05 0.00 2.34 0.00 0.00 41.12 44.56 2ayx n ASP 948 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12