#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ayx s GLY 697 N 0.00 1.68 -0.30 3.03 0.00 -1.26 -5.11 107.32 105.36 2ayx s GLY 697 Ca 0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 44.72 43.58 2ayx s GLY 697 CO 0.00 -0.88 0.66 -0.32 0.00 0.00 0.00 173.10 172.56 2ayx s GLY 698 N -1.26 -0.71 -0.06 0.20 0.00 -1.26 -5.02 107.32 99.22 2ayx s GLY 698 Ca 0.15 2.38 -0.01 0.00 0.00 0.00 0.00 44.72 47.24 2ayx s GLY 698 CO 0.05 3.04 -0.06 -1.14 0.00 0.00 0.00 173.10 174.99 2ayx n SER 699 N 5.37 2.67 0.00 1.64 3.41 -1.26 -5.08 113.62 120.37 2ayx n SER 699 Ca -0.12 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 2ayx n SER 699 Cb 0.50 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 2ayx n SER 699 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ayx n GLY 700 N 3.05 2.08 3.17 5.00 0.00 -1.26 -4.93 105.19 112.30 2ayx n GLY 700 Ca -0.11 -0.11 -0.05 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 -9.37 0.00 1.61 0.31 -1.26 -5.01 118.33 104.61 2ayx n VAL 701 Ca 0.00 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 2ayx n VAL 701 Cb 0.00 -6.48 0.00 0.00 -0.91 0.00 0.00 33.84 26.45 2ayx n VAL 701 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2ayx n GLU 702 N -2.13 0.00 0.00 5.55 -0.00 -1.26 -5.05 120.64 117.75 2ayx n GLU 702 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.12 2ayx n GLU 702 Cb 0.54 -0.38 0.00 0.00 -0.00 0.00 0.00 31.44 31.60 2ayx n GLU 702 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ayx n GLY 703 N 2.54 0.00 0.90 -1.84 0.00 -1.26 -5.17 105.19 100.35 2ayx n GLY 703 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 -3.18 0.99 4.32 -1.26 -4.74 117.00 113.13 2ayx n LEU 704 Ca 0.00 -0.53 -0.18 0.00 -0.02 0.00 0.00 56.01 55.28 2ayx n LEU 704 Cb 0.00 -0.12 0.02 0.00 -1.62 0.00 0.00 43.42 41.69 2ayx n LEU 704 CO 0.00 -0.58 -0.03 -1.20 -1.22 0.00 0.00 177.39 174.36 2ayx n SER 705 N -2.91 -6.87 0.00 -1.43 7.64 -1.25 -4.64 113.62 104.16 2ayx n SER 705 Ca 0.04 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2ayx n SER 705 Cb 0.14 -3.87 0.00 0.00 -1.01 0.00 0.00 64.21 59.47 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 -0.65 0.44 3.77 0.23 0.00 -0.94 -5.05 105.19 102.98 2ayx n GLY 706 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 4.37 -0.06 1.61 -0.14 -1.26 -4.78 119.74 119.47 2ayx s LYS 707 Ca 0.00 2.20 -0.02 0.00 -1.36 0.00 0.00 55.97 56.79 2ayx s LYS 707 Cb 0.00 -3.07 -0.04 0.00 -1.68 0.00 0.00 37.83 33.04 2ayx s LYS 707 CO 0.00 -0.17 0.04 1.03 -0.76 0.00 0.00 175.35 175.49 2ayx s ARG 708 N -1.78 3.05 -0.25 1.68 0.52 -1.26 -0.77 118.95 120.14 2ayx s ARG 708 Ca 0.49 -0.41 0.02 0.00 -0.52 0.00 0.00 55.73 55.31 2ayx s ARG 708 Cb -0.39 -2.86 0.06 0.00 0.52 0.00 0.00 34.95 32.28 2ayx s ARG 708 CO 0.52 0.69 -0.09 0.00 0.02 0.00 0.00 175.30 176.44 2ayx s TRP 710 N 1.21 3.62 -0.02 0.00 0.52 -0.16 -0.84 118.94 123.27 2ayx s TRP 710 Ca -0.08 0.98 0.03 0.00 0.02 0.00 0.00 56.10 57.05 2ayx s TRP 710 Cb -0.19 -2.47 -0.00 0.00 -1.15 0.00 0.00 33.47 29.65 2ayx s TRP 710 CO -0.06 0.36 -0.10 -0.48 0.02 0.00 0.00 176.95 176.69 2ayx s LEU 711 N -0.10 1.91 -0.25 2.99 2.34 -0.97 -1.13 118.68 123.47 2ayx s LEU 711 Ca 0.26 -0.20 0.13 0.00 0.06 0.00 0.00 54.13 54.38 2ayx s LEU 711 Cb -0.16 -0.56 0.46 0.00 -0.56 0.00 0.00 46.19 45.37 2ayx s LEU 711 CO 0.12 0.10 1.18 0.00 -1.06 0.00 0.00 176.35 176.69 2ayx n ALA 712 N 3.04 4.02 -2.60 1.48 0.00 0.43 -1.55 120.51 125.33 2ayx n ALA 712 Ca -0.16 -3.36 -0.42 0.00 0.00 0.00 0.00 53.44 49.51 2ayx n ALA 712 Cb 0.55 -0.48 -0.05 0.00 0.00 0.00 0.00 19.45 19.47 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 -3.81 4.81 -0.60 0.00 1.01 -1.21 -2.33 120.40 118.27 2ayx s VAL 713 Ca 0.42 1.01 0.24 0.00 0.00 0.00 0.00 61.98 63.65 2ayx s VAL 713 Cb 0.38 -4.13 0.17 0.00 0.00 0.00 0.00 36.38 32.80 2ayx s VAL 713 CO -0.01 -0.28 1.49 0.03 0.00 0.00 0.00 175.10 176.33 2ayx h ARG 714 N 8.24 0.00 -6.21 2.72 3.08 -1.94 -3.43 114.38 116.83 2ayx h ARG 714 Ca -0.25 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.26 2ayx h ARG 714 Cb 1.10 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.11 2ayx h ARG 714 CO 0.87 0.00 1.26 1.21 -1.07 0.00 0.00 179.97 182.24 2ayx s ASN 715 N -4.76 5.75 0.21 7.04 3.84 -1.26 -4.88 114.94 120.88 2ayx s ASN 715 Ca 0.07 0.77 -0.10 0.00 0.21 0.00 0.00 52.86 53.81 2ayx s ASN 715 Cb 0.11 -2.53 0.16 0.00 -0.55 0.00 0.00 41.25 38.44 2ayx s ASN 715 CO 0.68 -1.92 1.85 0.00 -2.79 0.00 0.00 177.10 174.92 2ayx h ALA 716 N 13.13 0.98 -0.84 1.71 0.00 -1.98 0.25 119.26 132.50 2ayx h ALA 716 Ca -0.29 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 2ayx h ALA 716 Cb 1.15 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 2ayx h ALA 716 CO 1.12 0.45 0.52 0.66 0.00 0.00 0.00 179.25 182.00 2ayx h SER 717 N 1.05 1.00 -0.01 0.00 4.64 -1.97 0.37 113.55 118.63 2ayx h SER 717 Ca 0.28 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.52 2ayx h SER 717 Cb -0.03 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 61.80 2ayx h SER 717 CO -0.05 0.76 -0.07 0.25 -0.87 0.00 0.00 176.83 176.85 2ayx h LEU 718 N 1.15 0.08 -0.44 5.97 6.46 -1.67 -2.75 115.31 124.11 2ayx h LEU 718 Ca 0.30 -0.68 -0.13 0.00 -0.12 0.00 0.00 57.88 57.25 2ayx h LEU 718 Cb -0.06 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 39.83 2ayx h LEU 718 CO -0.06 0.75 -0.22 0.00 -0.62 0.00 0.00 178.44 178.29 2ayx h GLN 720 N 0.77 1.05 -0.28 0.00 4.15 -1.03 -0.23 115.11 119.55 2ayx h GLN 720 Ca 0.10 -0.35 -0.02 0.00 0.77 0.00 0.00 58.65 59.15 2ayx h GLN 720 Cb 0.80 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 2ayx h GLN 720 CO 0.07 1.05 0.11 0.35 -1.93 0.00 0.00 178.83 178.47 2ayx h PHE 721 N 0.95 0.42 -0.18 3.99 3.57 -1.39 -1.82 116.94 122.48 2ayx h PHE 721 Ca 0.16 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 2ayx h PHE 721 Cb 0.59 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 2ayx h PHE 721 CO 0.04 0.42 0.04 -0.07 -2.23 0.00 0.00 178.31 176.51 2ayx h LEU 722 N 0.30 0.28 -0.78 0.59 -0.00 -1.32 -2.63 115.31 111.75 2ayx h LEU 722 Ca 0.09 -0.24 0.01 0.00 -0.00 0.00 0.00 57.88 57.74 2ayx h LEU 722 Cb 0.18 -0.07 -0.04 0.00 -0.00 0.00 0.00 40.66 40.72 2ayx h LEU 722 CO -0.01 0.45 0.51 1.05 -0.00 0.00 0.00 178.44 180.44 2ayx h GLU 723 N 0.10 1.04 -0.51 1.13 -0.00 -0.97 -0.70 114.58 114.66 2ayx h GLU 723 Ca 0.06 -0.07 -0.06 0.00 -0.00 0.00 0.00 59.36 59.29 2ayx h GLU 723 Cb 0.28 -0.23 -0.02 0.00 -0.00 0.00 0.00 28.75 28.77 2ayx h GLU 723 CO 0.00 0.69 0.09 1.15 -0.00 0.00 0.00 179.01 180.94 2ayx h THR 724 N 1.07 1.23 -0.07 -1.06 2.02 -1.29 -1.33 112.91 113.48 2ayx h THR 724 Ca 0.29 -0.86 -0.03 0.00 0.77 0.00 0.00 66.41 66.57 2ayx h THR 724 Cb -0.11 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 67.03 2ayx h THR 724 CO -0.06 0.31 -0.09 0.28 0.37 0.00 0.00 175.52 176.33 2ayx h SER 725 N 0.77 0.20 -0.51 4.18 0.02 -0.97 -3.12 113.55 114.11 2ayx h SER 725 Ca 0.16 -0.52 -0.10 0.00 -0.84 0.00 0.00 61.79 60.50 2ayx h SER 725 Cb 0.33 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 2ayx h SER 725 CO 0.00 0.68 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.25 2ayx h LEU 726 N -0.28 0.95 0.00 5.07 3.38 -1.05 -2.39 115.31 120.99 2ayx h LEU 726 Ca 0.01 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2ayx h LEU 726 Cb 0.63 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2ayx h LEU 726 CO 0.02 1.03 0.00 0.00 0.09 0.00 0.00 178.44 179.58 2ayx n GLN 727 N -4.17 0.16 0.10 1.13 10.64 -0.51 -1.66 117.38 123.06 2ayx n GLN 727 Ca 0.02 0.14 -0.15 0.00 -1.83 0.00 0.00 57.00 55.18 2ayx n GLN 727 Cb 0.36 -1.50 -0.12 0.00 -0.86 0.00 0.00 30.24 28.12 2ayx n GLN 727 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2ayx h ARG 728 N 0.00 0.27 0.00 2.61 3.08 -1.36 -3.32 114.38 115.66 2ayx h ARG 728 Ca 0.00 -0.42 -0.12 0.00 0.07 0.00 0.00 59.98 59.51 2ayx h ARG 728 Cb 0.23 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 2ayx h ARG 728 CO 0.00 1.17 -0.99 0.77 -1.07 0.00 0.00 179.97 179.85 2ayx h SER 729 N 0.09 0.00 0.00 7.04 0.02 -1.55 -3.47 113.55 115.68 2ayx h SER 729 Ca -0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2ayx h SER 729 Cb 1.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.41 2ayx h SER 729 CO 0.19 0.45 0.00 0.61 -1.14 0.00 0.00 176.83 176.94 2ayx n GLY 730 N 1.30 1.70 3.56 -3.77 0.00 -1.15 -4.67 105.19 102.16 2ayx n GLY 730 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.96 4.90 -0.70 -0.61 -1.09 -0.67 -2.21 121.20 118.87 2ayx s ILE 731 Ca 0.00 0.48 -0.27 0.00 -2.23 0.00 0.00 60.65 58.63 2ayx s ILE 731 Cb 0.00 -4.07 0.02 0.00 -1.58 0.00 0.00 42.46 36.83 2ayx s ILE 731 CO 0.00 -0.33 1.39 0.68 -1.23 0.00 0.00 174.94 175.45 2ayx s VAL 732 N 2.66 3.67 0.13 2.92 -7.23 0.05 -3.24 120.40 119.36 2ayx s VAL 732 Ca 0.23 0.41 -0.30 0.00 -1.81 0.00 0.00 61.98 60.50 2ayx s VAL 732 Cb -0.15 -4.71 -0.07 0.00 0.56 0.00 0.00 36.38 32.02 2ayx s VAL 732 CO 0.15 -1.63 1.16 0.54 -0.31 0.00 0.00 175.10 175.02 2ayx s VAL 733 N 6.34 3.87 -0.04 1.32 0.11 -1.26 -1.74 120.40 129.00 2ayx s VAL 733 Ca 0.42 1.48 -0.02 0.00 -2.93 0.00 0.00 61.98 60.93 2ayx s VAL 733 Cb -0.09 -3.95 0.03 0.00 -1.53 0.00 0.00 36.38 30.84 2ayx s VAL 733 CO 0.17 0.19 0.09 -0.89 -3.33 0.00 0.00 175.10 171.33 2ayx s THR 734 N 0.37 -0.04 0.09 5.04 2.01 -0.02 -4.91 115.64 118.18 2ayx s THR 734 Ca 0.54 0.16 -0.32 0.00 0.31 0.00 0.00 61.69 62.38 2ayx s THR 734 Cb -0.30 -0.16 -0.11 0.00 0.01 0.00 0.00 72.50 71.94 2ayx s THR 734 CO 0.33 0.06 1.81 0.41 -0.69 0.00 0.00 174.62 176.54 2ayx n THR 735 N 3.95 0.36 -2.78 -0.82 -1.04 -1.26 -2.30 114.28 110.39 2ayx n THR 735 Ca -0.24 -0.07 -0.43 0.00 -2.04 0.00 0.00 64.05 61.27 2ayx n THR 735 Cb 0.53 -2.00 -0.00 0.00 -1.82 0.00 0.00 70.33 67.03 2ayx n THR 735 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2ayx s TYR 736 N 2.75 3.14 0.17 -1.42 5.04 -0.60 -4.76 117.35 121.67 2ayx s TYR 736 Ca 0.84 -1.80 -0.14 0.00 -2.44 0.00 0.00 57.07 53.52 2ayx s TYR 736 Cb -0.55 -4.50 0.10 0.00 0.35 0.00 0.00 41.96 37.36 2ayx s TYR 736 CO 0.40 -1.59 1.80 1.49 -1.34 0.00 0.00 175.55 176.30 2ayx h GLU 737 N 7.61 0.51 0.00 4.97 4.57 -1.90 -3.46 114.58 126.88 2ayx h GLU 737 Ca 0.35 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.50 2ayx h GLU 737 Cb 0.89 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 2ayx h GLU 737 CO 1.33 0.34 0.00 0.41 -1.18 0.00 0.00 179.01 179.90 2ayx n GLY 738 N -1.24 0.00 0.00 1.92 0.00 -1.26 -5.13 105.19 99.48 2ayx n GLY 738 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2ayx n GLY 738 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ayx n GLN 739 N 0.00 0.00 -3.76 1.61 0.00 -1.26 -5.04 117.38 108.93 2ayx n GLN 739 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 57.00 56.87 2ayx n GLN 739 Cb 0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 30.24 29.99 2ayx n GLN 739 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2ayx s GLU 740 N -0.01 0.44 -0.19 2.61 2.02 -1.26 -5.14 118.70 117.17 2ayx s GLU 740 Ca 0.00 0.39 -0.22 0.00 0.02 0.00 0.00 54.97 55.16 2ayx s GLU 740 Cb 0.00 0.21 -0.02 0.00 0.10 0.00 0.00 34.13 34.42 2ayx s GLU 740 CO 0.00 -0.07 0.67 -1.25 0.02 0.00 0.00 175.26 174.63 2ayx s PRO 741 N -0.03 4.22 -0.11 0.39 0.05 -1.26 -5.07 135.00 133.19 2ayx s PRO 741 Ca -0.02 0.69 -0.04 0.00 0.05 0.00 0.00 61.00 61.68 2ayx s PRO 741 Cb -0.03 -3.58 -0.04 0.00 0.05 0.00 0.00 34.50 30.91 2ayx s PRO 741 CO 0.01 -0.27 0.05 0.99 0.05 0.00 0.00 177.00 177.84 2ayx s THR 742 N 1.99 4.76 -1.29 1.26 2.01 -1.26 -4.73 115.64 118.38 2ayx s THR 742 Ca 0.30 -0.07 0.11 0.00 0.31 0.00 0.00 61.69 62.34 2ayx s THR 742 Cb -0.16 -3.05 0.16 0.00 0.01 0.00 0.00 72.50 69.46 2ayx s THR 742 CO 0.11 0.59 1.29 -0.81 -0.69 0.00 0.00 174.62 175.10 2ayx n PRO 743 N 2.27 0.11 0.00 4.92 -0.04 -1.26 -1.00 135.00 139.99 2ayx n PRO 743 Ca -0.19 0.22 0.09 0.00 -0.04 0.00 0.00 63.50 63.58 2ayx n PRO 743 Cb 0.54 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.36 1.11 -4.26 0.54 -0.58 -1.26 -2.77 120.64 112.07 2ayx n GLU 744 Ca 0.04 -0.22 -0.23 0.00 -0.42 0.00 0.00 57.16 56.33 2ayx n GLU 744 Cb 0.10 -1.36 -0.07 0.00 -0.57 0.00 0.00 31.44 29.54 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 -2.59 4.69 0.10 1.62 1.01 -0.17 -4.79 116.67 116.54 2ayx s ASP 745 Ca 0.09 -0.55 0.10 0.00 0.71 0.00 0.00 52.55 52.90 2ayx s ASP 745 Cb 0.14 -0.94 -0.04 0.00 1.01 0.00 0.00 42.92 43.10 2ayx s ASP 745 CO 0.68 0.01 -0.26 0.68 0.21 0.00 0.00 175.17 176.50 2ayx s VAL 746 N -2.18 2.15 -0.26 -1.27 -7.23 -1.25 -1.04 120.40 109.32 2ayx s VAL 746 Ca 0.31 -1.63 0.01 0.00 -1.81 0.00 0.00 61.98 58.85 2ayx s VAL 746 Cb -0.07 -1.89 0.05 0.00 0.56 0.00 0.00 36.38 35.02 2ayx s VAL 746 CO 0.20 0.14 -0.08 -0.22 -0.31 0.00 0.00 175.10 174.83 2ayx s LEU 747 N -1.83 3.36 -0.45 1.32 1.98 -0.11 -0.98 118.68 121.96 2ayx s LEU 747 Ca 0.12 -1.17 -0.16 0.00 -2.89 0.00 0.00 54.13 50.04 2ayx s LEU 747 Cb -0.10 -1.61 0.05 0.00 0.66 0.00 0.00 46.19 45.19 2ayx s LEU 747 CO 0.05 -0.17 0.38 -0.63 -1.89 0.00 0.00 176.35 174.09 2ayx s ILE 748 N 1.21 5.21 0.23 6.68 1.01 -0.28 -0.61 121.20 134.63 2ayx s ILE 748 Ca -0.05 -0.84 0.07 0.00 0.00 0.00 0.00 60.65 59.83 2ayx s ILE 748 Cb -0.18 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 2ayx s ILE 748 CO -0.05 -0.49 0.13 0.28 0.00 0.00 0.00 174.94 174.81 2ayx s THR 749 N 1.76 4.23 -0.18 2.92 -1.32 -0.20 -0.43 115.64 122.42 2ayx s THR 749 Ca 0.06 -1.41 -0.06 0.00 -1.21 0.00 0.00 61.69 59.07 2ayx s THR 749 Cb -0.22 -3.24 -0.03 0.00 -1.51 0.00 0.00 72.50 67.50 2ayx s THR 749 CO 0.09 -0.28 0.02 -0.62 -2.21 0.00 0.00 174.62 171.62 2ayx s ASP 750 N -3.56 5.23 0.41 8.08 2.15 -0.99 -1.26 116.67 126.73 2ayx s ASP 750 Ca 0.32 -0.03 0.00 0.00 0.43 0.00 0.00 52.55 53.26 2ayx s ASP 750 Cb -0.08 -1.88 0.00 0.00 -0.30 0.00 0.00 42.92 40.65 2ayx s ASP 750 CO 0.23 0.15 0.00 -0.62 -0.17 0.00 0.00 175.17 174.77 2ayx n GLU 751 N 3.65 -1.11 -2.21 4.34 -0.58 0.40 -4.76 120.64 120.38 2ayx n GLU 751 Ca -0.17 0.73 -0.42 0.00 -0.42 0.00 0.00 57.16 56.88 2ayx n GLU 751 Cb 0.52 -1.35 -0.03 0.00 -0.57 0.00 0.00 31.44 30.01 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 -1.04 3.40 0.23 2.62 1.01 -1.26 -4.73 120.40 120.63 2ayx s VAL 752 Ca 0.00 1.02 0.10 0.00 0.00 0.00 0.00 61.98 63.10 2ayx s VAL 752 Cb 0.00 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 2ayx s VAL 752 CO 0.00 0.09 -0.18 0.68 0.00 0.00 0.00 175.10 175.68 2ayx s VAL 753 N 1.00 2.11 0.02 2.92 -7.23 -1.26 -5.05 120.40 112.91 2ayx s VAL 753 Ca 0.63 -2.21 -0.05 0.00 -1.81 0.00 0.00 61.98 58.53 2ayx s VAL 753 Cb -0.36 -2.11 -0.29 0.00 0.56 0.00 0.00 36.38 34.18 2ayx s VAL 753 CO 0.31 -0.41 0.93 0.77 -0.31 0.00 0.00 175.10 176.38 2ayx h SER 754 N 2.65 0.47 -3.73 4.85 4.64 -2.00 -3.43 113.55 116.99 2ayx h SER 754 Ca -0.40 -0.59 -0.69 0.00 -0.47 0.00 0.00 61.79 59.64 2ayx h SER 754 Cb 1.23 -0.15 -0.31 0.00 -0.31 0.00 0.00 62.40 62.85 2ayx h SER 754 CO 0.58 1.48 -0.68 -0.75 -0.87 0.00 0.00 176.83 176.59 2ayx s LYS 755 N -2.62 2.52 -0.05 4.77 2.36 -1.26 -4.99 119.74 120.46 2ayx s LYS 755 Ca -0.08 -1.22 -0.16 0.00 -2.55 0.00 0.00 55.97 51.96 2ayx s LYS 755 Cb 0.06 -3.25 -0.11 0.00 -1.05 0.00 0.00 37.83 33.49 2ayx s LYS 755 CO 0.87 -0.61 0.67 1.57 1.55 0.00 0.00 175.35 179.40 2ayx h LYS 756 N 8.06 -0.34 0.00 4.03 2.10 -2.02 -3.50 116.57 124.90 2ayx h LYS 756 Ca -0.22 0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 2ayx h LYS 756 Cb 1.07 0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 2ayx h LYS 756 CO 0.55 -0.07 0.00 1.87 -2.00 0.00 0.00 179.45 179.81 2ayx n TRP 757 N -5.01 0.00 -2.79 0.07 -0.00 -1.26 -4.89 117.44 103.56 2ayx n TRP 757 Ca -0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 57.50 57.33 2ayx n TRP 757 Cb 0.22 0.00 0.05 0.00 -0.00 0.00 0.00 31.31 31.57 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 -0.78 1.10 0.00 5.87 1.13 -1.26 -5.05 117.38 118.39 2ayx n GLN 758 Ca 0.00 -2.78 0.00 0.00 -1.94 0.00 0.00 57.00 52.28 2ayx n GLN 758 Cb 0.00 -1.03 0.00 0.00 0.11 0.00 0.00 30.24 29.32 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 -0.07 4.64 0.25 1.08 0.00 -1.26 -4.39 105.19 105.45 2ayx n GLY 759 Ca 0.09 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.55 -1.87 1.61 2.43 -0.84 -3.43 114.38 111.73 2ayx h ARG 760 Ca 0.00 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2ayx h ARG 760 Cb 0.00 0.12 -0.21 0.00 -0.42 0.00 0.00 29.97 29.46 2ayx h ARG 760 CO 0.00 -0.26 0.27 0.00 -1.51 0.00 0.00 179.97 178.47 2ayx s ALA 761 N -4.39 -1.83 -0.16 2.80 0.00 -1.22 -4.56 121.76 112.39 2ayx s ALA 761 Ca -0.12 1.64 0.01 0.00 0.00 0.00 0.00 51.96 53.49 2ayx s ALA 761 Cb 0.01 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.50 2ayx s ALA 761 CO 0.40 -0.33 -0.19 0.54 0.00 0.00 0.00 175.76 176.19 2ayx s VAL 762 N -0.55 2.29 -0.39 0.00 0.11 0.10 -0.94 120.40 121.02 2ayx s VAL 762 Ca -0.04 -0.88 -0.12 0.00 -2.93 0.00 0.00 61.98 58.00 2ayx s VAL 762 Cb -0.02 -1.95 0.04 0.00 -1.53 0.00 0.00 36.38 32.91 2ayx s VAL 762 CO 0.04 0.53 0.24 -0.69 -3.33 0.00 0.00 175.10 171.89 2ayx s VAL 763 N 1.01 4.68 -0.39 2.04 1.01 0.22 -0.86 120.40 128.10 2ayx s VAL 763 Ca -0.02 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 60.84 2ayx s VAL 763 Cb -0.15 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.58 2ayx s VAL 763 CO -0.05 -0.31 0.56 -0.89 0.00 0.00 0.00 175.10 174.41 2ayx s THR 764 N 1.56 4.95 -0.12 3.92 2.01 0.04 -1.03 115.64 126.97 2ayx s THR 764 Ca 0.03 0.19 -0.26 0.00 0.31 0.00 0.00 61.69 61.96 2ayx s THR 764 Cb -0.20 -4.07 -0.02 0.00 0.01 0.00 0.00 72.50 68.22 2ayx s THR 764 CO 0.07 -0.39 0.84 -0.36 -0.69 0.00 0.00 174.62 174.08 2ayx s PHE 765 N 2.54 3.49 -0.11 4.92 0.08 -0.39 -0.79 117.98 127.73 2ayx s PHE 765 Ca 0.20 1.34 -0.14 0.00 0.12 0.00 0.00 56.93 58.45 2ayx s PHE 765 Cb -0.15 -3.00 -0.05 0.00 -0.57 0.00 0.00 43.02 39.26 2ayx s PHE 765 CO 0.15 -0.14 0.33 0.00 -0.10 0.00 0.00 175.22 175.47 2ayx n ARG 767 N 2.94 0.00 -0.08 0.00 0.00 -1.26 -4.25 116.66 114.01 2ayx n ARG 767 Ca -0.13 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.63 2ayx n ARG 767 Cb 0.52 -0.10 -0.09 0.00 0.00 0.00 0.00 32.46 32.79 2ayx n ARG 767 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2ayx n ARG 768 N -1.93 1.07 -4.38 -0.14 5.12 -1.26 -5.00 116.66 110.15 2ayx n ARG 768 Ca 0.00 0.05 -0.26 0.00 -1.93 0.00 0.00 57.85 55.71 2ayx n ARG 768 Cb 0.00 -1.34 -0.10 0.00 -1.16 0.00 0.00 32.46 29.85 2ayx n ARG 768 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 2ayx s HIS 769 N -2.33 2.43 -0.12 -1.55 3.76 -1.26 -5.06 115.29 111.16 2ayx s HIS 769 Ca -0.15 -0.30 -0.10 0.00 -0.15 0.00 0.00 55.06 54.36 2ayx s HIS 769 Cb 0.05 -1.17 -0.05 0.00 1.11 0.00 0.00 32.58 32.51 2ayx s HIS 769 CO 0.46 0.54 -0.22 -0.89 -0.85 0.00 0.00 174.74 173.79 2ayx n ILE 770 N 0.01 1.17 0.00 0.60 5.41 -1.26 -4.33 119.36 120.95 2ayx n ILE 770 Ca -0.11 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.65 2ayx n ILE 770 Cb 0.56 -1.89 0.00 0.00 -0.71 0.00 0.00 39.64 37.60 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 2.09 1.17 3.68 7.39 0.00 -1.26 -4.31 105.19 113.95 2ayx n GLY 771 Ca -0.21 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 2ayx n GLY 771 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ayx s ILE 772 N 0.00 3.25 0.00 -0.61 -1.09 -1.26 -4.95 121.20 116.54 2ayx s ILE 772 Ca 0.00 0.53 0.00 0.00 -2.23 0.00 0.00 60.65 58.95 2ayx s ILE 772 Cb 0.00 -3.34 0.00 0.00 -1.58 0.00 0.00 42.46 37.54 2ayx s ILE 772 CO 0.00 -0.02 0.90 -2.65 -1.23 0.00 0.00 174.94 171.93 2ayx n PRO 773 N 6.33 0.00 -1.09 2.79 -0.02 -1.26 -4.92 135.00 136.82 2ayx n PRO 773 Ca 0.17 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2ayx n PRO 773 Cb 0.41 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 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 -1.83 0.00 -3.47 2.45 -0.00 -1.26 -4.79 117.00 108.10 2ayx n LEU 774 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.61 2ayx n LEU 774 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 2ayx n LEU 774 CO 0.00 0.00 1.41 -0.62 -0.00 0.00 0.00 177.39 178.18 2ayx n GLU 775 N 0.00 0.00 -0.09 1.47 4.71 -0.57 -4.08 120.64 122.08 2ayx n GLU 775 Ca 0.00 -0.93 -0.11 0.00 -0.01 0.00 0.00 57.16 56.10 2ayx n GLU 775 Cb 0.00 -2.42 -0.09 0.00 -1.01 0.00 0.00 31.44 27.92 2ayx n GLU 775 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2ayx n LYS 776 N 7.63 0.65 -4.01 3.49 4.76 -1.26 -4.98 118.16 124.45 2ayx n LYS 776 Ca 0.42 0.09 -0.28 0.00 -2.87 0.00 0.00 58.31 55.67 2ayx n LYS 776 Cb 0.38 -1.36 -0.05 0.00 -1.84 0.00 0.00 35.03 32.17 2ayx n LYS 776 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ayx s ALA 777 N -2.35 3.76 -0.55 7.82 0.00 -1.26 -5.03 121.76 124.14 2ayx s ALA 777 Ca -0.21 -1.06 -0.26 0.00 0.00 0.00 0.00 51.96 50.43 2ayx s ALA 777 Cb 0.06 -1.58 -0.07 0.00 0.00 0.00 0.00 23.12 21.53 2ayx s ALA 777 CO 0.44 0.61 2.35 -2.14 0.00 0.00 0.00 175.76 177.02 2ayx s PRO 778 N -2.91 2.08 0.00 0.00 0.02 -1.26 -1.19 135.00 131.74 2ayx s PRO 778 Ca 0.32 1.17 0.00 0.00 0.02 0.00 0.00 61.00 62.51 2ayx s PRO 778 Cb -0.11 -4.60 0.00 0.00 0.02 0.00 0.00 34.50 29.80 2ayx s PRO 778 CO 0.25 -3.40 0.00 0.41 -0.33 0.00 0.00 177.00 173.93 2ayx n GLY 779 N 6.11 0.96 3.66 0.52 0.00 -1.26 -4.97 105.19 110.20 2ayx n GLY 779 Ca 0.37 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.17 4.22 0.04 1.61 2.12 -0.33 -0.72 118.70 125.47 2ayx s GLU 780 Ca 0.00 0.74 0.04 0.00 0.36 0.00 0.00 54.97 56.10 2ayx s GLU 780 Cb 0.00 -3.59 -0.02 0.00 0.26 0.00 0.00 34.13 30.78 2ayx s GLU 780 CO 0.00 -0.31 -0.11 -1.58 -0.54 0.00 0.00 175.26 172.72 2ayx s TRP 781 N 2.12 0.94 0.08 5.30 0.52 -0.04 -1.52 118.94 126.35 2ayx s TRP 781 Ca 0.31 -0.37 0.01 0.00 0.02 0.00 0.00 56.10 56.07 2ayx s TRP 781 Cb -0.16 -0.56 -0.04 0.00 -1.15 0.00 0.00 33.47 31.56 2ayx s TRP 781 CO 0.10 -0.00 -0.06 0.14 0.02 0.00 0.00 176.95 177.15 2ayx s VAL 782 N -0.96 0.61 -0.30 4.03 -7.23 -1.26 -0.78 120.40 114.51 2ayx s VAL 782 Ca -0.02 -1.77 -0.16 0.00 -1.81 0.00 0.00 61.98 58.21 2ayx s VAL 782 Cb -0.08 -1.47 0.17 0.00 0.56 0.00 0.00 36.38 35.56 2ayx s VAL 782 CO 0.01 -0.80 1.09 -2.28 -0.31 0.00 0.00 175.10 172.80 2ayx s HIS 783 N -3.27 -0.48 -0.61 2.82 2.46 0.03 -4.86 115.29 111.38 2ayx s HIS 783 Ca 0.07 0.83 -0.22 0.00 0.47 0.00 0.00 55.06 56.22 2ayx s HIS 783 Cb 0.03 0.29 0.07 0.00 -0.13 0.00 0.00 32.58 32.84 2ayx s HIS 783 CO -0.04 -0.24 0.88 -1.12 -2.47 0.00 0.00 174.74 171.75 2ayx s SER 784 N 2.29 6.21 -0.20 9.88 0.01 -1.26 -2.31 113.70 128.31 2ayx s SER 784 Ca -0.02 -0.96 -0.34 0.00 1.31 0.00 0.00 55.95 55.94 2ayx s SER 784 Cb -0.04 -2.39 0.15 0.00 0.21 0.00 0.00 66.02 63.95 2ayx s SER 784 CO -0.17 -1.29 1.22 0.54 0.41 0.00 0.00 173.24 173.95 2ayx s VAL 785 N 3.65 0.00 -2.01 3.43 0.11 -1.26 -4.93 120.40 119.39 2ayx s VAL 785 Ca 0.21 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.34 2ayx s VAL 785 Cb -0.18 -1.00 0.24 0.00 -1.53 0.00 0.00 36.38 33.91 2ayx s VAL 785 CO 0.11 0.00 1.21 0.00 -3.33 0.00 0.00 175.10 173.09 2ayx n ALA 786 N 0.05 2.46 -3.08 1.54 0.00 -1.26 -4.88 120.51 115.34 2ayx n ALA 786 Ca -0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 53.44 52.96 2ayx n ALA 786 Cb 0.58 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 0.23 -2.61 0.29 0.00 0.00 -1.26 -4.76 120.51 112.40 2ayx n ALA 787 Ca 0.09 0.19 -0.12 0.00 0.00 0.00 0.00 53.44 53.60 2ayx n ALA 787 Cb 0.22 -1.85 -0.06 0.00 0.00 0.00 0.00 19.45 17.76 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 0.70 -0.74 0.00 0.00 0.11 -2.01 -3.45 132.00 126.60 2ayx h PRO 788 Ca -0.05 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2ayx h PRO 788 Cb 1.03 0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2ayx h PRO 788 CO 0.29 -0.50 0.00 -2.39 -0.21 0.00 0.00 178.00 175.19 2ayx n HIS 789 N -4.79 0.00 -0.17 0.65 1.44 -1.26 -4.95 115.22 106.15 2ayx n HIS 789 Ca -0.10 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.54 2ayx n HIS 789 Cb 0.30 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.43 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 0.69 0.20 -1.40 9.09 -1.98 -0.86 114.58 120.32 2ayx h GLU 790 Ca 0.00 -0.09 -0.01 0.00 0.05 0.00 0.00 59.36 59.31 2ayx h GLU 790 Cb 0.00 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 26.97 2ayx h GLU 790 CO 0.00 0.55 -0.09 1.25 0.05 0.00 0.00 179.01 180.77 2ayx h LEU 791 N 0.65 -0.22 -1.76 3.06 7.12 -1.92 0.48 115.31 122.72 2ayx h LEU 791 Ca 0.17 -0.28 0.08 0.00 0.13 0.00 0.00 57.88 57.98 2ayx h LEU 791 Cb 0.07 0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 40.23 2ayx h LEU 791 CO -0.03 0.21 0.32 1.55 -0.13 0.00 0.00 178.44 180.37 2ayx h PRO 792 N -0.71 0.28 -0.36 5.25 0.13 -1.87 -0.85 132.00 133.87 2ayx h PRO 792 Ca -0.03 -0.02 -0.14 0.00 -0.87 0.00 0.00 66.00 64.94 2ayx h PRO 792 Cb 0.49 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 2ayx h PRO 792 CO 0.04 0.18 -0.33 0.00 -0.23 0.00 0.00 178.00 177.67 2ayx h ALA 793 N 1.76 0.53 -0.54 -0.56 0.00 -1.01 -1.08 119.26 118.35 2ayx h ALA 793 Ca 0.22 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2ayx h ALA 793 Cb 0.48 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2ayx h ALA 793 CO -0.05 0.59 0.35 1.25 0.00 0.00 0.00 179.25 181.39 2ayx h LEU 794 N 0.66 0.59 -0.12 0.00 7.12 0.16 0.56 115.31 124.29 2ayx h LEU 794 Ca 0.06 -0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.05 2ayx h LEU 794 Cb 0.91 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.90 2ayx h LEU 794 CO 0.08 0.42 0.04 -0.07 -0.13 0.00 0.00 178.44 178.79 2ayx h LEU 795 N 0.70 0.16 -0.74 2.25 -0.00 -1.10 -1.81 115.31 114.77 2ayx h LEU 795 Ca 0.20 -0.17 -0.02 0.00 -0.00 0.00 0.00 57.88 57.89 2ayx h LEU 795 Cb -0.05 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 40.53 2ayx h LEU 795 CO -0.06 0.28 0.38 0.00 -0.00 0.00 0.00 178.44 179.05 2ayx h ALA 796 N 0.88 0.95 -0.32 1.53 0.00 -1.00 -2.22 119.26 119.09 2ayx h ALA 796 Ca 0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2ayx h ALA 796 Cb 0.17 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2ayx h ALA 796 CO -0.00 0.49 0.03 -0.09 0.00 0.00 0.00 179.25 179.68 2ayx h ARG 797 N 1.03 0.47 -0.12 0.00 2.43 -0.75 0.49 114.38 117.93 2ayx h ARG 797 Ca 0.26 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 59.23 2ayx h ARG 797 Cb 0.08 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2ayx h ARG 797 CO -0.04 0.48 -0.43 0.82 -1.51 0.00 0.00 179.97 179.29 2ayx h ILE 798 N 0.46 1.32 -0.21 1.20 2.04 -0.74 -2.78 117.51 118.80 2ayx h ILE 798 Ca 0.11 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.40 2ayx h ILE 798 Cb 0.25 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 2ayx h ILE 798 CO 0.00 0.47 0.00 -1.22 0.00 0.00 0.00 178.15 177.41 2ayx n TYR 799 N -4.01 0.26 0.00 1.37 4.01 -0.78 -4.97 117.16 113.03 2ayx n TYR 799 Ca -0.02 -0.13 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 2ayx n TYR 799 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 2ayx n TYR 799 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2ayx n LEU 800 N 1.03 0.00 0.00 7.72 4.32 0.09 -4.76 117.00 125.40 2ayx n LEU 800 Ca 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.16 2ayx n LEU 800 Cb 0.51 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 2ayx n LEU 800 CO 0.15 0.00 0.00 -0.38 -1.22 0.00 0.00 177.39 175.94 2ayx n ILE 801 N 0.00 0.00 0.00 -0.08 -0.00 -1.26 -4.76 119.36 113.27 2ayx n ILE 801 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2ayx n ILE 801 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 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 0.00 0.00 0.42 0.38 -0.58 -1.26 -4.54 120.64 115.06 2ayx n GLU 802 Ca 0.00 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.57 2ayx n GLU 802 Cb 0.00 -0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 30.79 2ayx n GLU 802 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 2ayx h MET 803 N 0.00 -1.05 -5.52 3.49 2.86 -2.00 -3.40 114.93 109.31 2ayx h MET 803 Ca 0.00 0.07 -0.60 0.00 -2.06 0.00 0.00 59.70 57.11 2ayx h MET 803 Cb 0.00 0.24 -0.11 0.00 0.06 0.00 0.00 31.60 31.79 2ayx h MET 803 CO 0.00 -0.70 0.07 -1.21 1.06 0.00 0.00 176.91 176.13 2ayx s GLU 804 N -5.27 4.15 -0.15 1.72 0.41 -1.26 -5.05 118.70 113.24 2ayx s GLU 804 Ca -0.16 0.48 -0.07 0.00 -0.41 0.00 0.00 54.97 54.81 2ayx s GLU 804 Cb 0.02 -3.61 -0.04 0.00 -1.78 0.00 0.00 34.13 28.71 2ayx s GLU 804 CO 0.48 -0.29 0.10 -1.12 -0.49 0.00 0.00 175.26 173.93 2ayx s SER 805 N 1.34 5.98 0.40 -0.19 0.01 -1.26 -4.96 113.70 115.03 2ayx s SER 805 Ca 0.25 0.26 0.22 0.00 1.31 0.00 0.00 55.95 57.99 2ayx s SER 805 Cb -0.16 -1.97 0.51 0.00 0.21 0.00 0.00 66.02 64.62 2ayx s SER 805 CO 0.09 0.28 1.65 -0.78 0.41 0.00 0.00 173.24 174.90 2ayx h ASP 806 N 5.92 0.00 -3.66 2.44 3.58 -1.97 -3.49 116.42 119.23 2ayx h ASP 806 Ca -0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.99 2ayx h ASP 806 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 2ayx h ASP 806 CO 0.66 0.22 -0.39 -0.67 -2.88 0.00 0.00 179.24 176.18 2ayx n ASP 807 N -3.21 -4.97 -1.58 2.28 2.03 -1.26 -4.90 116.55 104.94 2ayx n ASP 807 Ca 0.02 0.71 -0.04 0.00 0.52 0.00 0.00 54.79 56.00 2ayx n ASP 807 Cb 0.55 -2.66 0.20 0.00 -0.72 0.00 0.00 41.12 38.49 2ayx n ASP 807 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2ayx n PRO 808 N 0.73 2.84 -3.25 -0.67 -0.04 -1.26 -4.88 135.00 128.46 2ayx n PRO 808 Ca 0.00 -2.03 -0.15 0.00 -0.04 0.00 0.00 63.50 61.28 2ayx n PRO 808 Cb 0.00 -1.91 0.08 0.00 -0.04 0.00 0.00 33.50 31.63 2ayx n PRO 808 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ayx n ALA 809 N -0.00 -1.69 -3.94 0.55 0.00 -1.26 -5.00 120.51 109.17 2ayx n ALA 809 Ca 0.27 -0.02 -0.30 0.00 0.00 0.00 0.00 53.44 53.39 2ayx n ALA 809 Cb 1.04 -2.39 -0.14 0.00 0.00 0.00 0.00 19.45 17.96 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 -4.10 4.29 -0.49 0.00 3.84 -1.26 -5.07 114.94 112.16 2ayx s ASN 810 Ca 0.04 -3.02 -0.26 0.00 0.21 0.00 0.00 52.86 49.83 2ayx s ASN 810 Cb -0.02 -1.62 0.03 0.00 -0.55 0.00 0.00 41.25 39.09 2ayx s ASN 810 CO 0.63 -0.23 0.99 0.00 -2.79 0.00 0.00 177.10 175.71 2ayx s ALA 811 N -0.30 3.18 -0.30 1.71 0.00 -1.26 -4.95 121.76 119.85 2ayx s ALA 811 Ca 0.17 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.30 2ayx s ALA 811 Cb -0.26 -3.74 0.19 0.00 0.00 0.00 0.00 23.12 19.31 2ayx s ALA 811 CO -0.00 -2.21 0.68 -1.17 0.00 0.00 0.00 175.76 173.05 2ayx s LEU 812 N 4.04 -1.26 0.27 0.00 0.20 -1.26 -5.16 118.68 115.51 2ayx s LEU 812 Ca 0.39 0.69 -0.26 0.00 0.69 0.00 0.00 54.13 55.64 2ayx s LEU 812 Cb -0.10 2.02 -0.09 0.00 -0.43 0.00 0.00 46.19 47.59 2ayx s LEU 812 CO 0.26 -0.23 0.88 -2.16 -0.29 0.00 0.00 176.35 174.81 2ayx s PRO 813 N 2.87 4.58 -0.09 0.98 0.04 -1.26 -4.99 135.00 137.13 2ayx s PRO 813 Ca 0.17 1.26 -0.29 0.00 0.04 0.00 0.00 61.00 62.17 2ayx s PRO 813 Cb -0.13 -2.96 -0.07 0.00 0.04 0.00 0.00 34.50 31.38 2ayx s PRO 813 CO -0.20 0.38 2.03 -1.12 0.04 0.00 0.00 177.00 178.13 2ayx s SER 814 N -1.48 6.06 -0.32 6.66 0.01 -1.26 -4.95 113.70 118.42 2ayx s SER 814 Ca 0.45 2.27 0.02 0.00 1.31 0.00 0.00 55.95 60.01 2ayx s SER 814 Cb -0.20 -2.52 0.08 0.00 0.21 0.00 0.00 66.02 63.59 2ayx s SER 814 CO 0.25 -1.42 0.01 -0.89 0.41 0.00 0.00 173.24 171.60 2ayx s THR 815 N 6.02 2.47 -0.17 1.44 2.01 -1.26 -5.04 115.64 121.11 2ayx s THR 815 Ca 0.91 -1.95 -0.04 0.00 0.31 0.00 0.00 61.69 60.93 2ayx s THR 815 Cb -0.37 -2.63 0.06 0.00 0.01 0.00 0.00 72.50 69.56 2ayx s THR 815 CO 0.38 -0.36 0.07 -0.62 -0.69 0.00 0.00 174.62 173.40 2ayx s ASP 816 N 1.13 2.42 -0.38 3.53 -1.08 -1.26 -5.03 116.67 116.00 2ayx s ASP 816 Ca 0.02 -0.62 0.13 0.00 -0.52 0.00 0.00 52.55 51.56 2ayx s ASP 816 Cb -0.20 -0.34 0.41 0.00 -1.46 0.00 0.00 42.92 41.33 2ayx s ASP 816 CO -0.06 -0.33 0.92 1.17 0.52 0.00 0.00 175.17 177.39 2ayx n LYS 817 N 5.21 1.68 0.05 4.34 3.00 -1.26 -4.68 118.16 126.51 2ayx n LYS 817 Ca -0.07 -3.66 -0.11 0.00 -0.00 0.00 0.00 58.31 54.47 2ayx n LYS 817 Cb 0.49 -1.64 0.00 0.00 0.00 0.00 0.00 35.03 33.88 2ayx n LYS 817 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2ayx h ALA 818 N 2.93 0.52 -2.23 3.14 0.00 -2.01 -3.43 119.26 118.19 2ayx h ALA 818 Ca 0.04 -0.63 -0.62 0.00 0.00 0.00 0.00 54.91 53.71 2ayx h ALA 818 Cb 1.01 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.64 2ayx h ALA 818 CO 0.59 0.77 0.31 0.08 0.00 0.00 0.00 179.25 181.00 2ayx s VAL 819 N -3.54 4.79 -0.03 0.00 1.01 -1.26 -5.01 120.40 116.36 2ayx s VAL 819 Ca -0.06 0.85 -0.27 0.00 0.00 0.00 0.00 61.98 62.50 2ayx s VAL 819 Cb 0.10 -4.15 0.06 0.00 0.00 0.00 0.00 36.38 32.38 2ayx s VAL 819 CO 0.85 -0.36 0.59 -0.44 0.00 0.00 0.00 175.10 175.74 2ayx s SER 820 N 1.79 -0.55 -0.70 3.32 0.01 -1.26 -5.04 113.70 111.26 2ayx s SER 820 Ca 0.29 0.53 -0.02 0.00 1.31 0.00 0.00 55.95 58.06 2ayx s SER 820 Cb -0.14 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.59 2ayx s SER 820 CO 0.15 -0.60 0.68 -0.67 0.41 0.00 0.00 173.24 173.21 2ayx n ASP 821 N 0.90 -7.59 -3.64 2.44 -0.08 -1.26 -4.93 116.55 102.39 2ayx n ASP 821 Ca -0.19 -0.06 -0.39 0.00 -1.51 0.00 0.00 54.79 52.63 2ayx n ASP 821 Cb 0.57 -5.03 0.01 0.00 2.34 0.00 0.00 41.12 39.01 2ayx n ASP 821 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2ayx n ASN 822 N -1.63 6.69 -4.16 1.67 2.85 -1.26 -4.94 115.26 114.48 2ayx n ASN 822 Ca -0.01 -3.62 -0.34 0.00 -0.11 0.00 0.00 54.58 50.50 2ayx n ASN 822 Cb 0.51 -1.11 -0.14 0.00 1.24 0.00 0.00 39.78 40.28 2ayx n ASN 822 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2ayx s ASP 823 N -1.73 4.68 0.12 1.20 2.15 -1.26 -4.93 116.67 116.90 2ayx s ASP 823 Ca 0.38 -1.22 0.00 0.00 0.43 0.00 0.00 52.55 52.15 2ayx s ASP 823 Cb 0.17 -1.67 0.00 0.00 -0.30 0.00 0.00 42.92 41.12 2ayx s ASP 823 CO -0.07 -0.22 0.00 -0.67 -0.17 0.00 0.00 175.17 174.04 2ayx n ASP 824 N 4.59 0.45 -4.44 -0.34 2.03 -1.26 -5.00 116.55 112.58 2ayx n ASP 824 Ca -0.14 0.20 -0.43 0.00 0.52 0.00 0.00 54.79 54.94 2ayx n ASP 824 Cb 0.44 -0.04 -0.10 0.00 -0.72 0.00 0.00 41.12 40.70 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 -2.00 2.96 -0.13 -0.67 1.75 -1.26 -4.94 119.30 115.01 2ayx s MET 825 Ca 0.00 -1.08 0.01 0.00 -1.25 0.00 0.00 55.69 53.36 2ayx s MET 825 Cb 0.00 -4.00 -0.01 0.00 2.84 0.00 0.00 34.83 33.66 2ayx s MET 825 CO 0.00 -0.80 -0.15 0.00 -0.65 0.00 0.00 175.02 173.42 2ayx s MET 826 N 1.67 3.31 -0.13 4.11 0.23 -1.26 -0.95 119.30 126.28 2ayx s MET 826 Ca 0.05 -0.73 0.02 0.00 -1.03 0.00 0.00 55.69 54.00 2ayx s MET 826 Cb -0.20 -2.58 -0.00 0.00 -1.53 0.00 0.00 34.83 30.52 2ayx s MET 826 CO 0.09 0.17 -0.19 0.42 -2.03 0.00 0.00 175.02 173.48 2ayx s ILE 827 N 0.43 2.39 -0.18 3.16 -1.09 -0.04 -0.90 121.20 124.98 2ayx s ILE 827 Ca -0.11 -0.88 -0.07 0.00 -2.23 0.00 0.00 60.65 57.36 2ayx s ILE 827 Cb -0.16 -1.97 -0.04 0.00 -1.58 0.00 0.00 42.46 38.71 2ayx s ILE 827 CO 0.05 0.54 0.05 -0.22 -1.23 0.00 0.00 174.94 174.13 2ayx s LEU 828 N 0.61 3.73 -0.20 2.97 2.96 -0.89 -0.78 118.68 127.08 2ayx s LEU 828 Ca -0.11 0.06 -0.03 0.00 -0.22 0.00 0.00 54.13 53.83 2ayx s LEU 828 Cb -0.16 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 2ayx s LEU 828 CO 0.03 0.18 -0.07 0.54 -1.32 0.00 0.00 176.35 175.71 2ayx s VAL 829 N 0.33 3.22 -0.65 1.68 0.11 -0.09 -0.57 120.40 124.42 2ayx s VAL 829 Ca 0.02 -0.56 0.01 0.00 -2.93 0.00 0.00 61.98 58.52 2ayx s VAL 829 Cb -0.13 -2.44 0.16 0.00 -1.53 0.00 0.00 36.38 32.45 2ayx s VAL 829 CO 0.01 0.45 0.45 -0.69 -3.33 0.00 0.00 175.10 171.99 2ayx s VAL 830 N 1.26 3.34 -0.12 2.04 1.01 0.01 -0.69 120.40 127.25 2ayx s VAL 830 Ca 0.03 -3.46 -0.02 0.00 0.00 0.00 0.00 61.98 58.53 2ayx s VAL 830 Cb -0.14 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 2ayx s VAL 830 CO -0.03 -0.91 -0.04 -0.62 0.00 0.00 0.00 175.10 173.50 2ayx s ASP 831 N -0.13 4.85 0.19 3.32 2.15 -0.91 -1.84 116.67 124.30 2ayx s ASP 831 Ca 0.20 -0.05 0.24 0.00 0.43 0.00 0.00 52.55 53.36 2ayx s ASP 831 Cb -0.17 -1.59 0.91 0.00 -0.30 0.00 0.00 42.92 41.77 2ayx s ASP 831 CO -0.06 0.25 1.72 -0.90 -0.17 0.00 0.00 175.17 176.01 2ayx n ASP 832 N 2.98 0.58 -4.16 -0.34 5.68 -1.05 -4.27 116.55 115.97 2ayx n ASP 832 Ca -0.18 0.60 -0.39 0.00 -0.50 0.00 0.00 54.79 54.32 2ayx n ASP 832 Cb 0.53 -0.74 -0.08 0.00 -1.14 0.00 0.00 41.12 39.69 2ayx n ASP 832 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 2ayx s HIS 833 N -3.18 3.50 0.38 2.11 0.09 -1.26 -4.97 115.29 111.95 2ayx s HIS 833 Ca 0.07 -2.42 0.19 0.00 -0.00 0.00 0.00 55.06 52.90 2ayx s HIS 833 Cb 0.11 -3.37 1.14 0.00 -0.00 0.00 0.00 32.58 30.47 2ayx s HIS 833 CO 0.45 -0.90 1.71 -1.00 -0.00 0.00 0.00 174.74 174.99 2ayx h PRO 834 N 7.48 0.32 -0.49 8.40 0.13 -1.97 -0.46 132.00 145.40 2ayx h PRO 834 Ca -0.03 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 65.02 2ayx h PRO 834 Cb 1.00 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.03 2ayx h PRO 834 CO 0.74 0.21 0.07 -0.84 -0.23 0.00 0.00 178.00 177.96 2ayx h ILE 835 N 0.33 1.25 -0.24 -3.56 -0.00 -1.95 0.18 117.51 113.52 2ayx h ILE 835 Ca 0.69 -0.94 -0.10 0.00 -0.00 0.00 0.00 64.86 64.51 2ayx h ILE 835 Cb 1.75 0.91 -0.00 0.00 -0.00 0.00 0.00 36.82 39.47 2ayx h ILE 835 CO -0.42 0.33 -0.23 -1.13 -0.00 0.00 0.00 178.15 176.70 2ayx h ASN 836 N 0.69 0.62 -0.96 2.16 -0.00 -1.55 -2.41 115.58 114.14 2ayx h ASN 836 Ca 0.15 -0.47 0.10 0.00 -0.00 0.00 0.00 56.30 56.08 2ayx h ASN 836 Cb 0.41 -0.17 -0.08 0.00 -0.00 0.00 0.00 38.32 38.48 2ayx h ASN 836 CO 0.01 0.96 0.60 -0.09 -0.00 0.00 0.00 177.43 178.91 2ayx h ARG 837 N 0.29 0.98 -0.70 6.67 2.43 -1.18 -0.97 114.38 121.90 2ayx h ARG 837 Ca 0.04 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 2ayx h ARG 837 Cb 0.78 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 2ayx h ARG 837 CO 0.06 0.65 0.15 -0.09 -1.51 0.00 0.00 179.97 179.23 2ayx h ARG 838 N 1.01 1.13 -0.05 0.20 1.12 -0.78 -0.59 114.38 116.42 2ayx h ARG 838 Ca 0.45 -0.28 -0.01 0.00 -1.11 0.00 0.00 59.98 59.03 2ayx h ARG 838 Cb 0.35 -0.14 -0.00 0.00 -0.01 0.00 0.00 29.97 30.17 2ayx h ARG 838 CO -0.23 1.00 -0.00 1.25 -3.11 0.00 0.00 179.97 178.88 2ayx h LEU 839 N 1.06 0.09 -0.68 3.80 5.85 -0.76 -2.10 115.31 122.57 2ayx h LEU 839 Ca 0.22 -0.32 -0.11 0.00 0.84 0.00 0.00 57.88 58.50 2ayx h LEU 839 Cb 0.40 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 2ayx h LEU 839 CO 0.01 0.39 -0.54 0.17 -0.34 0.00 0.00 178.44 178.13 2ayx h LEU 840 N -0.22 0.00 -1.18 2.25 8.10 -1.20 -2.39 115.31 120.68 2ayx h LEU 840 Ca 0.01 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.93 2ayx h LEU 840 Cb 0.35 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.55 2ayx h LEU 840 CO 0.00 0.54 -0.22 0.00 -4.11 0.00 0.00 178.44 174.65 2ayx h ALA 841 N 1.46 1.32 -0.33 0.17 0.00 -1.05 0.08 119.26 120.91 2ayx h ALA 841 Ca -0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2ayx h ALA 841 Cb 1.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2ayx h ALA 841 CO 0.07 0.46 0.12 0.22 0.00 0.00 0.00 179.25 180.12 2ayx h ASP 842 N 0.27 0.47 -0.77 0.00 3.58 -0.87 -0.13 116.42 118.96 2ayx h ASP 842 Ca 0.05 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.31 2ayx h ASP 842 Cb 0.55 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.44 2ayx h ASP 842 CO 0.04 0.53 0.50 1.56 -2.88 0.00 0.00 179.24 178.99 2ayx h GLN 843 N 0.39 1.03 -0.57 0.28 4.20 -1.18 -2.01 115.11 117.24 2ayx h GLN 843 Ca 0.11 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.77 2ayx h GLN 843 Cb 0.22 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 2ayx h GLN 843 CO -0.01 0.69 0.35 -0.07 -0.67 0.00 0.00 178.83 179.13 2ayx h LEU 844 N 1.05 0.58 -0.66 1.46 4.07 -0.60 -1.09 115.31 120.11 2ayx h LEU 844 Ca 0.28 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.20 2ayx h LEU 844 Cb -0.10 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 41.49 2ayx h LEU 844 CO -0.06 0.41 0.23 1.23 -1.08 0.00 0.00 178.44 179.17 2ayx h GLY 845 N 0.70 1.09 2.00 0.83 0.00 -0.71 -2.19 103.07 104.79 2ayx h GLY 845 Ca 0.23 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2ayx h GLY 845 CO -0.09 0.59 0.00 1.44 0.00 0.00 0.00 176.54 178.48 2ayx n SER 846 N -4.36 0.57 -0.09 0.19 7.64 -0.79 -1.81 113.62 114.97 2ayx n SER 846 Ca 0.05 0.61 0.14 0.00 1.01 0.00 0.00 58.87 60.68 2ayx n SER 846 Cb 0.20 -0.74 0.64 0.00 -1.01 0.00 0.00 64.21 63.30 2ayx n SER 846 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2ayx n LEU 847 N -2.10 0.36 0.00 -3.43 4.77 -0.45 -4.91 117.00 111.25 2ayx n LEU 847 Ca 0.03 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2ayx n LEU 847 Cb 0.28 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2ayx n LEU 847 CO 0.22 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 2ayx n GLY 848 N 1.28 0.65 3.56 -0.72 0.00 -0.75 -5.06 105.19 104.14 2ayx n GLY 848 Ca 0.14 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 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 2.81 -0.47 1.61 2.02 -1.11 -4.94 117.35 115.27 2ayx s TYR 849 Ca 0.00 -0.09 -0.28 0.00 -0.37 0.00 0.00 57.07 56.33 2ayx s TYR 849 Cb 0.00 -1.58 0.01 0.00 -0.40 0.00 0.00 41.96 39.99 2ayx s TYR 849 CO 0.00 0.34 1.40 -0.65 -1.57 0.00 0.00 175.55 175.07 2ayx s GLN 850 N -1.37 3.48 -0.21 -0.62 -1.52 -0.12 -4.07 119.66 115.23 2ayx s GLN 850 Ca 0.16 0.74 -0.22 0.00 -1.95 0.00 0.00 55.36 54.09 2ayx s GLN 850 Cb -0.11 -4.06 -0.02 0.00 -0.22 0.00 0.00 33.01 28.61 2ayx s GLN 850 CO 0.07 -1.70 0.70 0.00 -0.25 0.00 0.00 175.29 174.11 2ayx s LYS 852 N 2.27 3.59 -0.13 0.00 3.01 0.04 -4.96 119.74 123.55 2ayx s LYS 852 Ca 0.31 -0.51 -0.08 0.00 -1.01 0.00 0.00 55.97 54.68 2ayx s LYS 852 Cb -0.16 -3.22 -0.04 0.00 -1.01 0.00 0.00 37.83 33.40 2ayx s LYS 852 CO 0.10 -0.17 0.15 0.95 0.51 0.00 0.00 175.35 176.89 2ayx s THR 853 N 1.51 5.47 0.08 2.17 -4.23 -1.26 -0.91 115.64 118.47 2ayx s THR 853 Ca 0.06 0.23 -0.13 0.00 -1.18 0.00 0.00 61.69 60.66 2ayx s THR 853 Cb -0.15 -3.43 0.02 0.00 1.34 0.00 0.00 72.50 70.29 2ayx s THR 853 CO 0.02 0.58 0.31 0.00 -0.54 0.00 0.00 174.62 174.98 2ayx s ALA 854 N -0.72 -0.64 -0.45 3.99 0.00 0.14 -4.94 121.76 119.13 2ayx s ALA 854 Ca 0.14 -0.18 0.06 0.00 0.00 0.00 0.00 51.96 51.98 2ayx s ALA 854 Cb -0.12 0.49 0.21 0.00 0.00 0.00 0.00 23.12 23.70 2ayx s ALA 854 CO 0.03 -0.52 0.59 0.27 0.00 0.00 0.00 175.76 176.14 2ayx n ASN 855 N 0.14 -1.59 0.00 0.00 6.94 -1.26 -2.15 115.26 117.33 2ayx n ASN 855 Ca -0.17 -2.78 0.00 0.00 -0.02 0.00 0.00 54.58 51.61 2ayx n ASN 855 Cb 0.62 0.51 0.00 0.00 -2.36 0.00 0.00 39.78 38.54 2ayx n ASN 855 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2ayx n ASP 856 N 2.28 0.00 -0.13 0.53 2.03 -1.26 -4.93 116.55 115.07 2ayx n ASP 856 Ca 0.20 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.42 2ayx n ASP 856 Cb 0.54 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.93 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 0.68 0.75 0.27 0.00 -1.96 -2.04 103.07 100.77 2ayx h GLY 857 Ca 0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 47.33 46.76 2ayx h GLY 857 CO 0.00 0.42 -0.42 -2.08 0.00 0.00 0.00 176.54 174.46 2ayx h VAL 858 N 0.48 1.41 0.00 4.60 2.07 -1.97 -3.17 116.25 119.68 2ayx h VAL 858 Ca 0.12 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.81 2ayx h VAL 858 Cb 0.36 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 2ayx h VAL 858 CO 0.01 0.53 0.00 -0.78 0.02 0.00 0.00 177.57 177.35 2ayx h ASP 859 N -0.08 0.00 -0.86 0.57 3.58 -1.95 -0.90 116.42 116.78 2ayx h ASP 859 Ca -0.03 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.40 2ayx h ASP 859 Cb 1.08 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.09 2ayx h ASP 859 CO 0.09 0.00 0.46 0.00 -2.88 0.00 0.00 179.24 176.90 2ayx h ALA 860 N 2.01 1.19 -0.06 -0.78 0.00 -1.33 0.11 119.26 120.40 2ayx h ALA 860 Ca 0.00 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 2ayx h ALA 860 Cb 0.31 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2ayx h ALA 860 CO 0.00 0.65 -0.72 -0.07 0.00 0.00 0.00 179.25 179.10 2ayx h LEU 861 N 1.21 0.39 -0.64 0.00 4.07 -1.27 -0.71 115.31 118.35 2ayx h LEU 861 Ca 0.30 -0.26 -0.04 0.00 0.08 0.00 0.00 57.88 57.97 2ayx h LEU 861 Cb 0.05 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 41.64 2ayx h LEU 861 CO -0.05 0.98 0.25 -1.13 -1.08 0.00 0.00 178.44 177.42 2ayx h ASN 862 N 0.22 0.89 0.42 -0.43 -1.24 -1.08 -2.20 115.58 112.16 2ayx h ASN 862 Ca -0.03 -0.17 -0.12 0.00 0.71 0.00 0.00 56.30 56.69 2ayx h ASN 862 Cb 1.29 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 40.09 2ayx h ASN 862 CO 0.12 0.82 -0.54 1.62 -1.29 0.00 0.00 177.43 178.16 2ayx h VAL 863 N 0.90 1.38 -0.65 2.57 3.04 -0.68 -1.26 116.25 121.55 2ayx h VAL 863 Ca 0.21 -1.85 0.03 0.00 -1.01 0.00 0.00 66.70 64.09 2ayx h VAL 863 Cb 0.21 1.94 -0.04 0.00 -2.01 0.00 0.00 31.29 31.40 2ayx h VAL 863 CO -0.02 0.54 0.43 0.25 -1.01 0.00 0.00 177.57 177.76 2ayx h LEU 864 N 0.10 0.67 0.18 3.16 7.12 -0.61 0.52 115.31 126.45 2ayx h LEU 864 Ca -0.00 -0.01 -0.33 0.00 0.13 0.00 0.00 57.88 57.67 2ayx h LEU 864 Cb 0.99 -0.16 0.01 0.00 -0.53 0.00 0.00 40.66 40.97 2ayx h LEU 864 CO 0.08 0.46 -1.59 0.77 -0.13 0.00 0.00 178.44 178.02 2ayx h SER 865 N 0.78 0.58 0.27 1.25 4.64 -1.12 -3.32 113.55 116.63 2ayx h SER 865 Ca 0.26 -0.77 -0.01 0.00 -0.47 0.00 0.00 61.79 60.79 2ayx h SER 865 Cb 0.07 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2ayx h SER 865 CO -0.07 1.64 -0.13 0.11 -0.87 0.00 0.00 176.83 177.51 2ayx h LYS 866 N 0.10 -0.35 0.00 4.77 1.57 -0.92 -3.44 116.57 118.30 2ayx h LYS 866 Ca -0.28 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2ayx h LYS 866 Cb 2.08 0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.47 2ayx h LYS 866 CO 0.20 -0.21 0.00 0.09 -0.57 0.00 0.00 179.45 178.96 2ayx n ASN 867 N -5.23 0.00 0.11 0.86 5.03 0.15 -5.09 115.26 111.09 2ayx n ASN 867 Ca -0.10 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.35 2ayx n ASN 867 Cb 0.18 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.94 2ayx n ASN 867 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 2ayx n HIS 868 N 0.00 -3.34 -0.50 3.10 -0.00 -1.25 -4.84 115.22 108.39 2ayx n HIS 868 Ca 0.00 0.79 0.00 0.00 0.46 0.00 0.00 57.72 58.97 2ayx n HIS 868 Cb 0.00 2.16 0.00 0.00 -0.12 0.00 0.00 29.99 32.03 2ayx n HIS 868 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 2ayx n ILE 869 N -2.99 -2.29 -0.07 3.57 -0.00 -1.26 -4.88 119.36 111.44 2ayx n ILE 869 Ca 0.00 0.74 -0.07 0.00 -0.00 0.00 0.00 62.75 63.43 2ayx n ILE 869 Cb 0.00 -1.03 -0.03 0.00 -0.00 0.00 0.00 39.64 38.57 2ayx n ILE 869 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 2ayx h ASP 870 N 0.50 0.00 -3.34 4.38 5.19 -1.38 -3.47 116.42 118.29 2ayx h ASP 870 Ca 0.00 -0.13 -0.65 0.00 -0.62 0.00 0.00 57.03 55.63 2ayx h ASP 870 Cb 0.02 0.00 -0.25 0.00 0.18 0.00 0.00 39.33 39.27 2ayx h ASP 870 CO 0.00 0.82 -0.72 -0.63 -3.12 0.00 0.00 179.24 175.59 2ayx s ILE 871 N -2.11 3.42 -0.12 0.35 -1.09 -1.18 -4.29 121.20 116.17 2ayx s ILE 871 Ca -0.14 -0.51 -0.04 0.00 -2.23 0.00 0.00 60.65 57.73 2ayx s ILE 871 Cb 0.02 -2.49 -0.04 0.00 -1.58 0.00 0.00 42.46 38.37 2ayx s ILE 871 CO 0.25 0.48 0.04 -0.69 -1.23 0.00 0.00 174.94 173.79 2ayx s VAL 872 N 0.69 4.60 -0.11 2.92 1.01 -1.01 -2.10 120.40 126.41 2ayx s VAL 872 Ca -0.04 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.83 2ayx s VAL 872 Cb -0.15 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.26 2ayx s VAL 872 CO 0.02 0.57 -0.15 -0.76 0.00 0.00 0.00 175.10 174.78 2ayx s LEU 873 N -0.54 1.73 -0.32 3.92 1.43 0.27 -0.56 118.68 124.60 2ayx s LEU 873 Ca 0.10 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.79 2ayx s LEU 873 Cb -0.12 -1.11 0.09 0.00 0.03 0.00 0.00 46.19 45.08 2ayx s LEU 873 CO 0.02 0.01 0.03 -0.44 0.23 0.00 0.00 176.35 176.20 2ayx s SER 874 N 1.04 4.58 -0.29 2.29 0.01 -0.41 -0.81 113.70 120.12 2ayx s SER 874 Ca -0.05 -1.94 -0.07 0.00 1.31 0.00 0.00 55.95 55.19 2ayx s SER 874 Cb -0.15 -1.49 0.00 0.00 0.21 0.00 0.00 66.02 64.59 2ayx s SER 874 CO -0.03 -0.35 0.09 1.51 0.41 0.00 0.00 173.24 174.87 2ayx s ASP 875 N 1.05 5.18 -0.03 2.44 -4.77 -0.76 -0.98 116.67 118.78 2ayx s ASP 875 Ca 0.07 -0.61 0.00 0.00 -3.30 0.00 0.00 52.55 48.72 2ayx s ASP 875 Cb -0.19 -1.90 0.03 0.00 -1.09 0.00 0.00 42.92 39.76 2ayx s ASP 875 CO -0.10 -0.17 -0.00 0.54 0.70 0.00 0.00 175.17 176.14 2ayx s VAL 876 N 1.53 0.22 -0.45 2.11 0.11 -1.01 -2.52 120.40 120.38 2ayx s VAL 876 Ca 0.03 0.08 0.07 0.00 -2.93 0.00 0.00 61.98 59.23 2ayx s VAL 876 Cb -0.17 -0.32 0.29 0.00 -1.53 0.00 0.00 36.38 34.66 2ayx s VAL 876 CO 0.03 0.16 0.94 -3.20 -3.33 0.00 0.00 175.10 169.71 2ayx n ASN 877 N 4.23 -1.96 -3.74 3.54 5.15 -1.26 -4.63 115.26 116.59 2ayx n ASN 877 Ca -0.24 -3.40 -0.10 0.00 -0.60 0.00 0.00 54.58 50.23 2ayx n ASN 877 Cb 0.50 1.39 -0.04 0.00 -0.53 0.00 0.00 39.78 41.10 2ayx n ASN 877 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2ayx s MET 878 N -0.02 1.33 -0.40 1.20 -1.94 -1.26 -5.03 119.30 113.17 2ayx s MET 878 Ca 0.29 -0.86 -0.18 0.00 -1.71 0.00 0.00 55.69 53.22 2ayx s MET 878 Cb 0.27 0.51 -0.18 0.00 2.01 0.00 0.00 34.83 37.43 2ayx s MET 878 CO -0.13 -0.55 1.68 -2.30 -0.01 0.00 0.00 175.02 173.71 2ayx n PRO 879 N -0.32 0.83 0.07 2.03 -0.02 -1.26 -4.48 135.00 131.85 2ayx n PRO 879 Ca -0.11 -1.26 -0.21 0.00 -2.02 0.00 0.00 63.50 59.90 2ayx n PRO 879 Cb 0.63 -2.54 -0.13 0.00 -0.02 0.00 0.00 33.50 31.44 2ayx n PRO 879 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2ayx h ASN 880 N 8.34 0.73 -0.11 2.55 -0.73 -2.00 -3.47 115.58 120.88 2ayx h ASN 880 Ca 0.30 -0.85 -0.05 0.00 1.87 0.00 0.00 56.30 57.58 2ayx h ASN 880 Cb 0.47 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 38.81 2ayx h ASN 880 CO 1.73 1.51 -0.04 0.23 -0.37 0.00 0.00 177.43 180.48 2ayx n MET 881 N -3.94 -1.24 -0.25 6.67 2.81 -1.26 -4.79 117.12 115.11 2ayx n MET 881 Ca -0.13 0.44 0.07 0.00 -1.81 0.00 0.00 57.70 56.27 2ayx n MET 881 Cb 0.90 -4.44 0.18 0.00 -0.71 0.00 0.00 33.22 29.16 2ayx n MET 881 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2ayx n ASP 882 N -0.57 3.12 -1.57 7.83 2.03 -1.26 -4.73 116.55 121.40 2ayx n ASP 882 Ca -0.02 -2.65 -0.03 0.00 0.52 0.00 0.00 54.79 52.60 2ayx n ASP 882 Cb 0.35 -0.38 0.01 0.00 -0.72 0.00 0.00 41.12 40.38 2ayx n ASP 882 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ayx n GLY 883 N -0.43 2.80 1.93 0.27 0.00 -1.26 -3.10 105.19 105.40 2ayx n GLY 883 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2ayx n GLY 883 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2ayx n TYR 884 N 1.27 -0.22 -0.07 1.61 9.36 -1.26 -4.75 117.16 123.10 2ayx n TYR 884 Ca 0.06 0.04 -0.11 0.00 3.32 0.00 0.00 57.90 61.20 2ayx n TYR 884 Cb 0.52 0.47 -0.05 0.00 -0.63 0.00 0.00 39.34 39.65 2ayx n TYR 884 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 2ayx h ARG 885 N 0.00 0.38 -0.33 2.98 1.12 -1.92 -0.51 114.38 116.10 2ayx h ARG 885 Ca 0.00 -0.12 -0.02 0.00 -1.11 0.00 0.00 59.98 58.74 2ayx h ARG 885 Cb 0.07 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 29.98 2ayx h ARG 885 CO 0.00 0.56 0.14 1.25 -3.11 0.00 0.00 179.97 178.81 2ayx h LEU 886 N 0.15 0.45 -0.51 3.80 5.85 -1.88 -0.06 115.31 123.10 2ayx h LEU 886 Ca 0.06 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 2ayx h LEU 886 Cb 0.39 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2ayx h LEU 886 CO 0.01 0.48 0.07 0.71 -0.34 0.00 0.00 178.44 179.37 2ayx h THR 887 N 0.39 1.25 -0.19 1.05 1.35 -1.80 -1.62 112.91 113.35 2ayx h THR 887 Ca 0.11 -0.97 -0.02 0.00 -0.55 0.00 0.00 66.41 64.99 2ayx h THR 887 Cb 0.16 0.89 -0.01 0.00 -1.73 0.00 0.00 68.15 67.47 2ayx h THR 887 CO -0.01 0.34 0.04 1.56 -0.25 0.00 0.00 175.52 177.21 2ayx h GLN 888 N 0.73 0.31 -0.14 4.72 7.50 -0.89 -2.77 115.11 124.57 2ayx h GLN 888 Ca 0.15 -0.08 -0.08 0.00 0.50 0.00 0.00 58.65 59.15 2ayx h GLN 888 Cb 0.42 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.90 2ayx h GLN 888 CO 0.01 0.44 -0.26 0.00 -1.50 0.00 0.00 178.83 177.53 2ayx h ARG 889 N 0.12 0.26 0.12 1.46 2.47 -0.95 0.63 114.38 118.49 2ayx h ARG 889 Ca 0.06 -0.09 -0.01 0.00 -1.26 0.00 0.00 59.98 58.69 2ayx h ARG 889 Cb 0.28 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 2ayx h ARG 889 CO 0.00 0.51 -0.06 0.82 0.56 0.00 0.00 179.97 181.80 2ayx h ILE 890 N 0.23 0.90 -0.01 2.04 2.04 -1.12 0.45 117.51 122.04 2ayx h ILE 890 Ca 0.04 -0.06 -0.16 0.00 1.00 0.00 0.00 64.86 65.67 2ayx h ILE 890 Cb 0.58 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 2ayx h ILE 890 CO 0.04 0.01 -0.75 0.08 0.00 0.00 0.00 178.15 177.53 2ayx h ARG 891 N -0.18 0.09 -0.52 2.37 0.11 -1.30 -2.56 114.38 112.38 2ayx h ARG 891 Ca -0.02 -0.08 -0.07 0.00 0.10 0.00 0.00 59.98 59.91 2ayx h ARG 891 Cb 0.14 0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.23 2ayx h ARG 891 CO 0.03 0.80 0.05 1.96 0.10 0.00 0.00 179.97 182.91 2ayx h GLN 892 N 0.06 0.89 0.00 0.08 4.20 -0.72 -2.18 115.11 117.44 2ayx h GLN 892 Ca -0.02 -0.26 -0.07 0.00 0.06 0.00 0.00 58.65 58.37 2ayx h GLN 892 Cb 1.33 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.00 2ayx h GLN 892 CO 0.11 0.89 -0.33 -0.07 -0.67 0.00 0.00 178.83 178.76 2ayx h LEU 893 N 0.77 0.00 -1.10 1.46 3.38 -0.88 -3.48 115.31 115.47 2ayx h LEU 893 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2ayx h LEU 893 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2ayx h LEU 893 CO 0.02 0.33 0.00 0.61 0.09 0.00 0.00 178.44 179.49 2ayx n GLY 894 N -0.49 0.71 3.61 0.83 0.00 -0.82 -4.99 105.19 104.03 2ayx n GLY 894 Ca -0.02 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.95 3.59 0.00 0.99 2.96 -1.00 -4.83 118.68 119.44 2ayx s LEU 895 Ca 0.00 1.46 0.27 0.00 -0.22 0.00 0.00 54.13 55.65 2ayx s LEU 895 Cb 0.00 -3.53 1.11 0.00 0.50 0.00 0.00 46.19 44.28 2ayx s LEU 895 CO 0.00 -1.63 1.78 0.41 -1.32 0.00 0.00 176.35 175.59 2ayx n THR 896 N 7.23 0.03 -4.40 3.68 -1.04 -1.26 -4.78 114.28 113.74 2ayx n THR 896 Ca 0.23 -0.23 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 2ayx n THR 896 Cb 0.46 0.36 -0.11 0.00 -1.82 0.00 0.00 70.33 69.22 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 -1.94 3.42 0.03 -4.42 2.34 -1.26 -5.08 118.68 111.77 2ayx s LEU 897 Ca 0.38 0.02 -0.30 0.00 0.06 0.00 0.00 54.13 54.29 2ayx s LEU 897 Cb 0.21 -1.80 -0.07 0.00 -0.56 0.00 0.00 46.19 43.97 2ayx s LEU 897 CO 0.33 0.29 1.52 -2.16 -1.06 0.00 0.00 176.35 175.27 2ayx s PRO 898 N -0.35 4.24 -0.12 1.48 0.04 -1.26 -4.87 135.00 134.16 2ayx s PRO 898 Ca 0.06 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.24 2ayx s PRO 898 Cb -0.12 -3.61 -0.02 0.00 0.04 0.00 0.00 34.50 30.79 2ayx s PRO 898 CO 0.02 -0.66 -0.12 0.54 0.04 0.00 0.00 177.00 176.82 2ayx s VAL 899 N 2.60 3.13 -0.30 -0.36 0.11 -1.09 -2.40 120.40 122.10 2ayx s VAL 899 Ca 0.69 -0.64 -0.11 0.00 -2.93 0.00 0.00 61.98 58.98 2ayx s VAL 899 Cb -0.35 -2.31 -0.03 0.00 -1.53 0.00 0.00 36.38 32.16 2ayx s VAL 899 CO 0.29 0.53 0.19 -0.63 -3.33 0.00 0.00 175.10 172.16 2ayx s ILE 900 N 0.15 5.12 -0.31 7.04 1.01 0.27 -1.79 121.20 132.69 2ayx s ILE 900 Ca -0.06 -0.07 -0.19 0.00 0.00 0.00 0.00 60.65 60.33 2ayx s ILE 900 Cb -0.15 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.79 2ayx s ILE 900 CO 0.05 0.15 0.57 -0.83 0.00 0.00 0.00 174.94 174.88 2ayx s GLY 901 N 1.72 1.80 -0.14 6.18 0.00 0.04 -1.28 107.32 115.63 2ayx s GLY 901 Ca 0.06 -0.75 -0.05 0.00 0.00 0.00 0.00 44.72 43.99 2ayx s GLY 901 CO 0.10 1.37 0.03 0.54 0.00 0.00 0.00 173.10 175.13 2ayx s VAL 902 N 2.50 4.49 0.05 1.40 0.11 -0.15 -1.00 120.40 127.80 2ayx s VAL 902 Ca 0.23 -0.16 -0.01 0.00 -2.93 0.00 0.00 61.98 59.11 2ayx s VAL 902 Cb -0.15 -2.96 -0.04 0.00 -1.53 0.00 0.00 36.38 31.70 2ayx s VAL 902 CO 0.12 0.53 -0.03 0.42 -3.33 0.00 0.00 175.10 172.81 2ayx s THR 903 N -0.20 0.24 -0.29 5.04 -4.23 -0.06 -2.42 115.64 113.73 2ayx s THR 903 Ca 0.06 -1.76 -0.06 0.00 -1.18 0.00 0.00 61.69 58.76 2ayx s THR 903 Cb -0.12 -1.45 0.02 0.00 1.34 0.00 0.00 72.50 72.29 2ayx s THR 903 CO 0.02 -0.96 0.05 0.00 -0.54 0.00 0.00 174.62 173.19 2ayx s ALA 904 N -3.73 2.99 -1.07 3.99 0.00 -1.26 -0.31 121.76 122.36 2ayx s ALA 904 Ca 0.06 -1.49 -0.03 0.00 0.00 0.00 0.00 51.96 50.50 2ayx s ALA 904 Cb 0.07 -2.07 -0.03 0.00 0.00 0.00 0.00 23.12 21.09 2ayx s ALA 904 CO -0.09 -0.95 0.91 -1.71 0.00 0.00 0.00 175.76 173.92 2ayx n ASN 905 N 4.82 -4.08 -4.25 0.00 2.85 -1.26 -4.97 115.26 108.37 2ayx n ASN 905 Ca -0.15 -0.63 -0.43 0.00 -0.11 0.00 0.00 54.58 53.26 2ayx n ASN 905 Cb 0.47 -4.93 -0.05 0.00 1.24 0.00 0.00 39.78 36.51 2ayx n ASN 905 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ayx s ALA 906 N -3.35 3.78 0.05 5.20 0.00 -1.26 -5.05 121.76 121.13 2ayx s ALA 906 Ca 0.20 -3.06 -0.34 0.00 0.00 0.00 0.00 51.96 48.76 2ayx s ALA 906 Cb -0.03 -3.15 -0.13 0.00 0.00 0.00 0.00 23.12 19.82 2ayx s ALA 906 CO 0.70 -2.13 1.71 1.47 0.00 0.00 0.00 175.76 177.51 2ayx n LEU 907 N 4.19 3.27 -3.48 0.00 -0.00 -1.26 -1.82 117.00 117.90 2ayx n LEU 907 Ca 0.05 1.03 -0.19 0.00 -0.00 0.00 0.00 56.01 56.90 2ayx n LEU 907 Cb 0.43 -1.41 0.08 0.00 -0.00 0.00 0.00 43.42 42.52 2ayx n LEU 907 CO 0.38 -0.18 0.13 0.00 -0.00 0.00 0.00 177.39 177.72 2ayx n ALA 908 N 4.86 -1.88 0.20 1.47 0.00 -1.26 -4.88 120.51 119.01 2ayx n ALA 908 Ca 0.19 0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.69 2ayx n ALA 908 Cb 0.29 -2.98 0.40 0.00 0.00 0.00 0.00 19.45 17.17 2ayx n ALA 908 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2ayx h GLU 909 N -2.05 0.00 -0.42 0.00 9.09 -1.79 -0.10 114.58 119.32 2ayx h GLU 909 Ca -0.59 -0.00 -0.05 0.00 0.05 0.00 0.00 59.36 58.77 2ayx h GLU 909 Cb 1.35 -0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.43 2ayx h GLU 909 CO 0.52 0.31 0.08 1.05 0.05 0.00 0.00 179.01 181.02 2ayx h GLU 910 N 0.00 0.68 -0.54 1.06 4.11 -1.90 -0.18 114.58 117.81 2ayx h GLU 910 Ca -0.00 -0.18 -0.03 0.00 0.07 0.00 0.00 59.36 59.22 2ayx h GLU 910 Cb 0.55 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2ayx h GLU 910 CO 0.04 0.71 0.21 -0.22 0.07 0.00 0.00 179.01 179.82 2ayx h LYS 911 N 0.54 0.81 -0.70 1.06 3.64 -1.75 -1.17 116.57 119.00 2ayx h LYS 911 Ca 0.13 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2ayx h LYS 911 Cb 0.36 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 2ayx h LYS 911 CO 0.01 0.71 0.39 0.37 -2.27 0.00 0.00 179.45 178.66 2ayx h GLN 912 N 0.73 0.97 -0.54 1.90 4.15 -0.87 -0.19 115.11 121.27 2ayx h GLN 912 Ca 0.18 -0.11 -0.08 0.00 0.77 0.00 0.00 58.65 59.41 2ayx h GLN 912 Cb 0.21 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 2ayx h GLN 912 CO -0.01 0.72 0.02 -0.09 -1.93 0.00 0.00 178.83 177.54 2ayx h ARG 913 N 0.96 0.93 -0.07 1.69 9.65 -0.78 -2.69 114.38 124.07 2ayx h ARG 913 Ca 0.25 -0.29 -0.11 0.00 -1.10 0.00 0.00 59.98 58.73 2ayx h ARG 913 Cb 0.03 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.50 2ayx h ARG 913 CO -0.04 0.94 -0.46 0.00 2.80 0.00 0.00 179.97 183.21 2ayx h LEU 915 N 0.13 0.42 -0.15 0.00 6.46 -0.77 -2.86 115.31 118.55 2ayx h LEU 915 Ca 0.01 -0.14 -0.21 0.00 -0.12 0.00 0.00 57.88 57.42 2ayx h LEU 915 Cb 0.86 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.67 2ayx h LEU 915 CO 0.07 0.44 -0.97 1.05 -0.62 0.00 0.00 178.44 178.41 2ayx h GLU 916 N 0.37 0.15 -6.63 1.25 4.11 -1.42 -3.48 114.58 108.93 2ayx h GLU 916 Ca 0.11 -0.19 -0.53 0.00 0.07 0.00 0.00 59.36 58.82 2ayx h GLU 916 Cb 0.14 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.34 2ayx h GLU 916 CO -0.01 1.00 -0.88 0.43 0.07 0.00 0.00 179.01 179.62 2ayx n SER 917 N -3.56 -1.16 0.00 3.06 7.64 0.18 -4.85 113.62 114.94 2ayx n SER 917 Ca -0.03 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 58.81 2ayx n SER 917 Cb 0.88 -2.83 0.00 0.00 -1.01 0.00 0.00 64.21 61.25 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 -1.86 0.00 0.00 0.23 0.00 -1.26 -4.93 105.19 97.37 2ayx n GLY 918 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2ayx n GLY 918 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ayx n MET 919 N -1.93 0.00 0.00 1.61 2.81 -1.26 -4.51 117.12 113.84 2ayx n MET 919 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2ayx n MET 919 Cb 0.44 -0.13 0.00 0.00 -0.71 0.00 0.00 33.22 32.81 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 -0.21 0.00 -3.70 7.83 2.03 -0.74 -2.66 116.55 119.10 2ayx n ASP 920 Ca 0.00 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.08 2ayx n ASP 920 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 2ayx n ASP 920 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2ayx n SER 921 N 0.00 1.84 -3.94 1.67 7.64 -1.07 -4.89 113.62 114.87 2ayx n SER 921 Ca 0.00 -2.81 -0.11 0.00 1.01 0.00 0.00 58.87 56.97 2ayx n SER 921 Cb 0.00 0.67 -0.12 0.00 -1.01 0.00 0.00 64.21 63.74 2ayx n SER 921 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ayx s LEU 923 N -0.81 2.18 0.12 0.00 1.43 -0.17 -4.87 118.68 116.57 2ayx s LEU 923 Ca -0.08 -1.26 -0.13 0.00 -1.03 0.00 0.00 54.13 51.63 2ayx s LEU 923 Cb -0.06 -0.32 -0.07 0.00 0.03 0.00 0.00 46.19 45.78 2ayx s LEU 923 CO -0.00 -0.53 0.50 -0.44 0.23 0.00 0.00 176.35 176.11 2ayx s SER 924 N -3.36 6.77 0.15 2.29 0.01 -1.26 -0.88 113.70 117.43 2ayx s SER 924 Ca 0.31 0.99 -0.16 0.00 1.31 0.00 0.00 55.95 58.40 2ayx s SER 924 Cb 0.06 -2.25 0.03 0.00 0.21 0.00 0.00 66.02 64.07 2ayx s SER 924 CO 0.11 0.13 1.79 0.50 0.41 0.00 0.00 173.24 176.18 2ayx h LYS 925 N 3.66 0.41 -3.05 12.44 3.11 -0.95 -3.05 116.57 129.13 2ayx h LYS 925 Ca -0.49 -0.02 -0.22 0.00 -2.81 0.00 0.00 60.65 57.11 2ayx h LYS 925 Cb 1.19 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 32.32 2ayx h LYS 925 CO 0.66 0.27 1.32 -0.35 -2.81 0.00 0.00 179.45 178.54 2ayx n PRO 926 N -4.90 1.42 -2.11 1.90 -0.04 -1.26 -4.90 135.00 125.11 2ayx n PRO 926 Ca 0.01 -0.94 -0.42 0.00 -0.04 0.00 0.00 63.50 62.11 2ayx n PRO 926 Cb 0.07 -2.09 -0.03 0.00 -0.04 0.00 0.00 33.50 31.41 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 2.89 3.19 0.45 0.52 1.01 -1.15 -5.02 120.40 122.28 2ayx s VAL 927 Ca 0.33 0.82 0.04 0.00 0.00 0.00 0.00 61.98 63.17 2ayx s VAL 927 Cb 0.12 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.98 2ayx s VAL 927 CO -0.02 0.05 0.63 0.42 0.00 0.00 0.00 175.10 176.19 2ayx s THR 928 N 1.34 3.32 0.20 3.92 -4.23 -1.26 -4.91 115.64 114.02 2ayx s THR 928 Ca 0.66 -0.79 -0.10 0.00 -1.18 0.00 0.00 61.69 60.28 2ayx s THR 928 Cb -0.38 -3.18 0.13 0.00 1.34 0.00 0.00 72.50 70.41 2ayx s THR 928 CO 0.30 -0.10 1.76 0.25 -0.54 0.00 0.00 174.62 176.29 2ayx h LEU 929 N 0.47 0.31 -0.74 4.79 6.46 -1.99 0.12 115.31 124.74 2ayx h LEU 929 Ca -0.43 0.06 -0.06 0.00 -0.12 0.00 0.00 57.88 57.33 2ayx h LEU 929 Cb 1.27 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 41.19 2ayx h LEU 929 CO 0.51 0.19 0.23 -0.78 -0.62 0.00 0.00 178.44 177.97 2ayx h ASP 930 N 0.47 1.07 -0.00 1.25 1.82 -1.99 -0.27 116.42 118.78 2ayx h ASP 930 Ca 0.29 -0.21 -0.00 0.00 -0.39 0.00 0.00 57.03 56.72 2ayx h ASP 930 Cb 0.31 -0.28 -0.00 0.00 0.68 0.00 0.00 39.33 40.04 2ayx h ASP 930 CO -0.26 1.00 0.00 0.58 -1.61 0.00 0.00 179.24 178.95 2ayx h VAL 931 N 1.09 1.21 -0.09 2.25 2.07 -1.73 -1.31 116.25 119.74 2ayx h VAL 931 Ca 0.24 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 67.07 2ayx h VAL 931 Cb 0.31 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2ayx h VAL 931 CO -0.01 0.16 -0.27 -0.29 0.02 0.00 0.00 177.57 177.19 2ayx h ILE 932 N -0.26 1.23 -0.05 4.57 6.09 -0.91 -0.91 117.51 127.27 2ayx h ILE 932 Ca 0.00 -1.08 -0.01 0.00 -1.37 0.00 0.00 64.86 62.40 2ayx h ILE 932 Cb 0.26 1.47 -0.00 0.00 0.47 0.00 0.00 36.82 39.02 2ayx h ILE 932 CO 0.00 0.32 -0.00 0.50 -3.07 0.00 0.00 178.15 175.90 2ayx h LYS 933 N 0.14 0.09 -0.03 2.19 3.11 -0.84 -2.36 116.57 118.86 2ayx h LYS 933 Ca 0.02 -0.03 -0.20 0.00 -2.81 0.00 0.00 60.65 57.64 2ayx h LYS 933 Cb 0.55 -0.01 0.01 0.00 -1.00 0.00 0.00 32.23 31.79 2ayx h LYS 933 CO 0.04 0.37 -0.75 -0.56 -2.81 0.00 0.00 179.45 175.74 2ayx h GLN 934 N -0.20 0.57 -0.29 1.90 3.07 -1.05 -2.60 115.11 116.51 2ayx h GLN 934 Ca 0.01 -0.56 -0.13 0.00 0.09 0.00 0.00 58.65 58.06 2ayx h GLN 934 Cb 0.33 0.15 -0.00 0.00 0.08 0.00 0.00 27.48 28.04 2ayx h GLN 934 CO 0.00 1.19 -0.33 1.15 0.09 0.00 0.00 178.83 180.93 2ayx h THR 935 N 0.16 1.30 -0.30 1.86 2.02 -1.26 -0.01 112.91 116.68 2ayx h THR 935 Ca -0.08 -1.51 -0.06 0.00 0.77 0.00 0.00 66.41 65.52 2ayx h THR 935 Cb 1.42 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 69.43 2ayx h THR 935 CO 0.15 0.48 -0.06 0.25 0.37 0.00 0.00 175.52 176.72 2ayx h LEU 936 N 0.47 0.57 -0.58 2.58 5.85 -1.52 -1.56 115.31 121.12 2ayx h LEU 936 Ca 0.04 -0.35 -0.13 0.00 0.84 0.00 0.00 57.88 58.28 2ayx h LEU 936 Cb 0.91 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 2ayx h LEU 936 CO 0.08 0.79 -0.24 0.74 -0.34 0.00 0.00 178.44 179.47 2ayx h THR 937 N 0.35 1.27 -0.61 1.05 2.02 -1.44 0.23 112.91 115.76 2ayx h THR 937 Ca 0.08 -1.38 -0.04 0.00 0.77 0.00 0.00 66.41 65.83 2ayx h THR 937 Cb 0.53 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 2ayx h THR 937 CO 0.03 0.47 0.23 0.25 0.37 0.00 0.00 175.52 176.86 2ayx h LEU 938 N 0.75 0.87 -0.38 2.58 5.85 -0.93 -2.06 115.31 121.98 2ayx h LEU 938 Ca 0.10 -0.18 -0.14 0.00 0.84 0.00 0.00 57.88 58.49 2ayx h LEU 938 Cb 0.79 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 2ayx h LEU 938 CO 0.07 0.82 -0.30 1.88 -0.34 0.00 0.00 178.44 180.56 2ayx h TYR 939 N 0.86 1.04 -0.25 1.25 -1.99 -1.10 -1.99 116.97 114.79 2ayx h TYR 939 Ca 0.20 -0.29 0.01 0.00 2.00 0.00 0.00 58.73 60.65 2ayx h TYR 939 Cb 0.24 -0.23 -0.02 0.00 2.00 0.00 0.00 36.73 38.72 2ayx h TYR 939 CO 0.01 1.09 0.14 0.00 -0.00 0.00 0.00 178.16 179.40 2ayx h ALA 940 N 0.78 0.31 -0.08 3.88 0.00 -0.73 -0.11 119.26 123.31 2ayx h ALA 940 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 2ayx h ALA 940 Cb 0.88 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2ayx h ALA 940 CO 0.08 -0.26 -0.58 1.05 0.00 0.00 0.00 179.25 179.55 2ayx h GLU 941 N 0.28 0.26 -0.12 0.00 4.11 -1.41 -2.55 114.58 115.16 2ayx h GLU 941 Ca 0.10 -0.17 -0.01 0.00 0.07 0.00 0.00 59.36 59.35 2ayx h GLU 941 Cb 0.01 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2ayx h GLU 941 CO -0.06 0.76 0.02 -0.09 0.07 0.00 0.00 179.01 179.71 2ayx h ARG 942 N 0.20 0.20 -0.21 1.06 2.43 -0.78 -0.13 114.38 117.14 2ayx h ARG 942 Ca -0.00 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 58.96 2ayx h ARG 942 Cb 1.07 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 2ayx h ARG 942 CO 0.09 0.40 -0.52 -0.39 -1.51 0.00 0.00 179.97 178.03 2ayx h VAL 943 N -0.03 1.31 -0.09 0.20 -1.51 -1.07 -2.41 116.25 112.65 2ayx h VAL 943 Ca 0.04 -1.75 -0.23 0.00 -1.23 0.00 0.00 66.70 63.53 2ayx h VAL 943 Cb 0.29 1.71 0.01 0.00 -2.13 0.00 0.00 31.29 31.18 2ayx h VAL 943 CO 0.00 0.55 -0.85 0.03 -1.23 0.00 0.00 177.57 176.07 2ayx h ARG 944 N 0.47 0.67 -0.18 5.19 -0.00 -1.40 -1.58 114.38 117.56 2ayx h ARG 944 Ca 0.02 -0.60 -0.15 0.00 -0.50 0.00 0.00 59.98 58.74 2ayx h ARG 944 Cb 1.07 0.14 -0.01 0.00 0.00 0.00 0.00 29.97 31.17 2ayx h ARG 944 CO 0.10 1.21 -0.51 1.57 0.00 0.00 0.00 179.97 182.34 2ayx h LYS 945 N 0.43 0.49 0.00 0.04 2.10 -1.04 -0.41 116.57 118.19 2ayx h LYS 945 Ca -0.07 -0.29 -0.04 0.00 -2.00 0.00 0.00 60.65 58.24 2ayx h LYS 945 Cb 1.48 0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.83 2ayx h LYS 945 CO 0.17 0.89 -0.21 0.77 -2.00 0.00 0.00 179.45 179.06 2ayx h SER 946 N 0.38 0.00 1.55 7.07 0.02 -1.42 -2.44 113.55 118.72 2ayx h SER 946 Ca 0.01 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 2ayx h SER 946 Cb 1.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 2ayx h SER 946 CO 0.09 0.21 -0.46 -0.09 -1.14 0.00 0.00 176.83 175.44 2ayx h ARG 947 N 0.00 0.00 -5.97 3.45 1.12 -0.86 -3.48 114.38 108.64 2ayx h ARG 947 Ca -0.00 0.00 -0.39 0.00 -1.11 0.00 0.00 59.98 58.48 2ayx h ARG 947 Cb 0.82 0.00 0.09 0.00 -0.01 0.00 0.00 29.97 30.86 2ayx h ARG 947 CO 0.03 0.13 -0.82 -3.47 -3.11 0.00 0.00 179.97 172.73 2ayx n ASP 948 N -3.01 -1.73 0.00 -3.80 2.03 -0.20 -5.07 116.55 104.77 2ayx n ASP 948 Ca 0.01 -0.78 0.00 0.00 0.52 0.00 0.00 54.79 54.54 2ayx n ASP 948 Cb 0.61 -4.31 0.00 0.00 -0.72 0.00 0.00 41.12 36.69 2ayx n ASP 948 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08