#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ayx n GLY 697 N 0.00 0.00 0.00 -5.12 0.00 -1.26 -5.16 105.19 93.66 2ayx n GLY 697 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ayx n GLY 697 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ayx n GLY 698 N 0.00 2.08 0.13 -0.02 0.00 -1.26 -5.12 105.19 101.00 2ayx n GLY 698 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2ayx n GLY 698 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ayx n SER 699 N 0.00 0.00 0.00 1.61 7.64 -1.26 -5.16 113.62 116.45 2ayx n SER 699 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2ayx n SER 699 Cb 0.00 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 2ayx n SER 699 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ayx n GLY 700 N 3.11 1.95 3.69 0.23 0.00 -1.26 -4.99 105.19 107.92 2ayx n GLY 700 Ca 0.00 -0.57 -0.28 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.33 0.10 1.61 0.31 -1.26 -4.84 118.33 112.92 2ayx n VAL 701 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.36 2ayx n VAL 701 Cb 0.00 -2.16 -0.01 0.00 -0.91 0.00 0.00 33.84 30.76 2ayx n VAL 701 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2ayx h GLU 702 N -1.42 0.00 0.00 5.55 5.08 -1.98 -3.48 114.58 118.33 2ayx h GLU 702 Ca -0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2ayx h GLU 702 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2ayx h GLU 702 CO 0.63 0.38 0.00 0.41 -1.00 0.00 0.00 179.01 179.43 2ayx n GLY 703 N 1.28 3.29 0.07 -3.84 0.00 -1.26 -5.00 105.19 99.73 2ayx n GLY 703 Ca -0.02 -0.22 -0.06 0.00 0.00 0.00 0.00 46.02 45.72 2ayx n GLY 703 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ayx h LEU 704 N 0.00 0.00 -8.28 0.99 5.85 -1.92 -3.42 115.31 108.54 2ayx h LEU 704 Ca 0.00 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 2ayx h LEU 704 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2ayx h LEU 704 CO 0.00 0.92 0.30 -0.44 -0.34 0.00 0.00 178.44 178.88 2ayx s SER 705 N -6.59 4.34 0.00 1.25 0.01 -1.23 -1.55 113.70 109.94 2ayx s SER 705 Ca 0.01 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 56.97 2ayx s SER 705 Cb 0.09 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.77 2ayx s SER 705 CO 0.81 -3.50 0.00 0.61 0.41 0.00 0.00 173.24 171.57 2ayx n GLY 706 N 6.78 0.26 3.72 3.44 0.00 -1.22 -5.01 105.19 113.16 2ayx n GLY 706 Ca 0.44 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.04 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 4.53 -0.05 1.61 -0.14 -0.60 -4.87 119.74 120.23 2ayx s LYS 707 Ca 0.00 1.58 -0.12 0.00 -1.36 0.00 0.00 55.97 56.07 2ayx s LYS 707 Cb 0.00 -3.39 -0.05 0.00 -1.68 0.00 0.00 37.83 32.71 2ayx s LYS 707 CO 0.00 -0.09 0.31 1.03 -0.76 0.00 0.00 175.35 175.85 2ayx s ARG 708 N 0.80 3.77 -0.19 1.68 0.52 -1.26 -1.65 118.95 122.62 2ayx s ARG 708 Ca 0.54 0.22 0.01 0.00 -0.52 0.00 0.00 55.73 55.98 2ayx s ARG 708 Cb -0.25 -3.22 0.03 0.00 0.52 0.00 0.00 34.95 32.03 2ayx s ARG 708 CO 0.29 0.70 -0.14 0.00 0.02 0.00 0.00 175.30 176.17 2ayx s TRP 710 N 1.34 3.22 -0.24 0.00 0.52 -0.45 -0.58 118.94 122.75 2ayx s TRP 710 Ca 0.01 0.04 -0.04 0.00 0.02 0.00 0.00 56.10 56.12 2ayx s TRP 710 Cb -0.15 -2.43 -0.00 0.00 -1.15 0.00 0.00 33.47 29.74 2ayx s TRP 710 CO -0.10 -0.23 -0.01 -0.51 0.02 0.00 0.00 176.95 176.12 2ayx s LEU 711 N 1.78 3.18 -0.59 2.99 1.43 -0.86 -0.92 118.68 125.68 2ayx s LEU 711 Ca 0.07 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 2ayx s LEU 711 Cb -0.16 -1.77 0.42 0.00 0.03 0.00 0.00 46.19 44.71 2ayx s LEU 711 CO 0.11 -0.07 1.68 0.00 0.23 0.00 0.00 176.35 178.29 2ayx n ALA 712 N 4.80 5.87 -2.67 4.21 0.00 0.46 -0.59 120.51 132.58 2ayx n ALA 712 Ca -0.17 -3.88 -0.36 0.00 0.00 0.00 0.00 53.44 49.03 2ayx n ALA 712 Cb 0.50 -1.29 -0.10 0.00 0.00 0.00 0.00 19.45 18.56 2ayx n ALA 712 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ayx s VAL 713 N -4.98 5.31 -0.24 0.00 1.01 -1.25 -2.59 120.40 117.67 2ayx s VAL 713 Ca 0.55 0.16 0.21 0.00 0.00 0.00 0.00 61.98 62.91 2ayx s VAL 713 Cb 0.45 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 33.37 2ayx s VAL 713 CO -0.14 0.34 1.08 0.03 0.00 0.00 0.00 175.10 176.41 2ayx h ARG 714 N 7.54 0.00 -6.12 2.72 3.08 -1.94 -3.44 114.38 116.22 2ayx h ARG 714 Ca -0.38 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.15 2ayx h ARG 714 Cb 1.17 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.18 2ayx h ARG 714 CO 0.65 0.06 1.28 -0.80 -1.07 0.00 0.00 179.97 180.09 2ayx s ASN 715 N -5.54 5.58 0.36 7.04 0.01 -1.26 -4.86 114.94 116.26 2ayx s ASN 715 Ca 0.00 0.42 0.03 0.00 -0.71 0.00 0.00 52.86 52.60 2ayx s ASN 715 Cb 0.09 -2.53 0.67 0.00 0.41 0.00 0.00 41.25 39.89 2ayx s ASN 715 CO 0.78 -2.12 2.02 0.00 -1.51 0.00 0.00 177.10 176.27 2ayx h ALA 716 N 13.62 1.58 -0.31 0.60 0.00 -1.98 0.23 119.26 132.99 2ayx h ALA 716 Ca -0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2ayx h ALA 716 Cb 1.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2ayx h ALA 716 CO 1.19 0.39 0.15 0.66 0.00 0.00 0.00 179.25 181.64 2ayx h SER 717 N 0.81 0.41 -0.04 0.00 4.64 -1.98 0.41 113.55 117.80 2ayx h SER 717 Ca 0.22 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.40 2ayx h SER 717 Cb -0.09 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 61.90 2ayx h SER 717 CO -0.05 0.42 -0.04 0.25 -0.87 0.00 0.00 176.83 176.55 2ayx h LEU 718 N 0.37 0.10 0.17 5.97 6.46 -1.64 -2.49 115.31 124.25 2ayx h LEU 718 Ca 0.11 -0.47 -0.01 0.00 -0.12 0.00 0.00 57.88 57.39 2ayx h LEU 718 Cb 0.12 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.03 2ayx h LEU 718 CO -0.01 0.55 -0.08 0.00 -0.62 0.00 0.00 178.44 178.27 2ayx h GLN 720 N -0.28 0.76 0.26 0.00 4.20 -1.00 0.01 115.11 119.07 2ayx h GLN 720 Ca -0.02 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 2ayx h GLN 720 Cb 0.22 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 2ayx h GLN 720 CO 0.04 0.66 -0.15 0.35 -0.67 0.00 0.00 178.83 179.07 2ayx h PHE 721 N 0.74 -0.38 -0.10 2.96 3.04 -1.26 -1.78 116.94 120.16 2ayx h PHE 721 Ca 0.17 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.10 2ayx h PHE 721 Cb 0.22 0.13 -0.00 0.00 2.56 0.00 0.00 35.95 38.86 2ayx h PHE 721 CO 0.01 -0.23 -0.01 -0.07 -2.02 0.00 0.00 178.31 175.99 2ayx h LEU 722 N -0.39 0.19 -0.50 0.59 3.38 -1.18 -2.82 115.31 114.58 2ayx h LEU 722 Ca -0.03 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 2ayx h LEU 722 Cb 0.31 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2ayx h LEU 722 CO 0.04 0.49 0.30 1.05 0.09 0.00 0.00 178.44 180.40 2ayx h GLU 723 N -0.12 0.68 -0.47 1.13 4.11 -0.98 0.13 114.58 119.05 2ayx h GLU 723 Ca 0.03 -0.06 -0.05 0.00 0.07 0.00 0.00 59.36 59.34 2ayx h GLU 723 Cb 0.40 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2ayx h GLU 723 CO 0.01 0.50 0.11 1.15 0.07 0.00 0.00 179.01 180.84 2ayx h THR 724 N 0.67 1.24 -0.76 -1.06 2.02 -1.38 -0.18 112.91 113.46 2ayx h THR 724 Ca 0.18 -0.85 -0.05 0.00 0.77 0.00 0.00 66.41 66.45 2ayx h THR 724 Cb -0.00 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 2ayx h THR 724 CO -0.03 0.30 0.26 0.28 0.37 0.00 0.00 175.52 176.70 2ayx h SER 725 N 0.65 1.09 -0.08 4.18 0.02 -1.19 -2.73 113.55 115.48 2ayx h SER 725 Ca 0.15 -0.20 -0.18 0.00 -0.84 0.00 0.00 61.79 60.72 2ayx h SER 725 Cb 0.34 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 2ayx h SER 725 CO 0.00 0.99 -0.62 -0.07 -1.14 0.00 0.00 176.83 176.00 2ayx h LEU 726 N 1.12 0.78 -1.09 5.07 3.38 -0.76 -2.81 115.31 121.00 2ayx h LEU 726 Ca 0.25 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2ayx h LEU 726 Cb 0.27 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2ayx h LEU 726 CO -0.01 1.21 0.00 1.56 0.09 0.00 0.00 178.44 181.29 2ayx h GLN 727 N 0.51 0.00 0.00 1.13 4.20 -0.85 -0.27 115.11 119.84 2ayx h GLN 727 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2ayx h GLN 727 Cb 1.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.98 2ayx h GLN 727 CO 0.12 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.28 2ayx h ARG 728 N 0.00 0.00 -0.02 1.46 2.47 -1.21 -2.77 114.38 114.31 2ayx h ARG 728 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2ayx h ARG 728 Cb 0.24 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 2ayx h ARG 728 CO 0.00 0.00 -0.08 0.43 0.56 0.00 0.00 179.97 180.88 2ayx n SER 729 N -2.48 2.37 0.00 7.04 7.64 -0.17 -4.95 113.62 123.07 2ayx n SER 729 Ca 0.04 -1.68 0.00 0.00 1.01 0.00 0.00 58.87 58.23 2ayx n SER 729 Cb 0.36 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 2ayx n SER 729 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ayx n GLY 730 N 1.09 0.53 3.66 0.23 0.00 -1.04 -4.01 105.19 105.65 2ayx n GLY 730 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2ayx n GLY 730 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ayx s ILE 731 N -2.18 3.52 -0.77 -0.61 -1.09 -0.86 -3.45 121.20 115.76 2ayx s ILE 731 Ca 0.00 0.63 -0.26 0.00 -2.23 0.00 0.00 60.65 58.79 2ayx s ILE 731 Cb 0.00 -3.41 0.02 0.00 -1.58 0.00 0.00 42.46 37.50 2ayx s ILE 731 CO 0.00 -0.06 1.41 0.54 -1.23 0.00 0.00 174.94 175.61 2ayx s VAL 732 N 4.07 3.69 -0.24 2.92 0.11 -0.66 -3.85 120.40 126.44 2ayx s VAL 732 Ca 0.75 0.17 -0.27 0.00 -2.93 0.00 0.00 61.98 59.70 2ayx s VAL 732 Cb -0.34 -4.77 0.00 0.00 -1.53 0.00 0.00 36.38 29.74 2ayx s VAL 732 CO 0.31 -1.71 0.96 -0.69 -3.33 0.00 0.00 175.10 170.64 2ayx s VAL 733 N 6.24 4.74 -0.11 2.04 1.01 -1.26 -1.67 120.40 131.39 2ayx s VAL 733 Ca 0.42 1.84 0.02 0.00 0.00 0.00 0.00 61.98 64.27 2ayx s VAL 733 Cb -0.07 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 32.08 2ayx s VAL 733 CO 0.11 -0.14 -0.16 -0.89 0.00 0.00 0.00 175.10 174.02 2ayx s THR 734 N 3.06 1.60 -0.11 3.92 2.01 0.25 -4.95 115.64 121.42 2ayx s THR 734 Ca 0.40 -0.70 -0.29 0.00 0.31 0.00 0.00 61.69 61.41 2ayx s THR 734 Cb -0.15 -1.45 -0.07 0.00 0.01 0.00 0.00 72.50 70.84 2ayx s THR 734 CO 0.07 0.46 2.12 0.41 -0.69 0.00 0.00 174.62 176.98 2ayx n THR 735 N 4.16 0.53 -2.16 -0.82 -1.04 -1.26 -2.03 114.28 111.65 2ayx n THR 735 Ca -0.19 -0.32 -0.35 0.00 -2.04 0.00 0.00 64.05 61.15 2ayx n THR 735 Cb 0.51 -2.44 -0.04 0.00 -1.82 0.00 0.00 70.33 66.54 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 6.63 1.89 -0.21 -1.42 5.04 0.24 -4.75 117.35 124.77 2ayx s TYR 736 Ca 0.96 0.45 -0.17 0.00 -2.44 0.00 0.00 57.07 55.86 2ayx s TYR 736 Cb -0.39 -4.21 -0.13 0.00 0.35 0.00 0.00 41.96 37.58 2ayx s TYR 736 CO 0.39 -2.04 -0.03 0.39 -1.34 0.00 0.00 175.55 172.91 2ayx n GLU 737 N 9.06 0.54 -2.72 4.97 1.02 -1.26 -4.50 120.64 127.75 2ayx n GLU 737 Ca 0.27 0.47 -0.07 0.00 -0.02 0.00 0.00 57.16 57.81 2ayx n GLU 737 Cb 0.50 -1.66 0.06 0.00 -0.02 0.00 0.00 31.44 30.32 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 1.43 -0.50 3.82 0.62 0.00 -1.26 -5.16 105.19 104.15 2ayx n GLY 738 Ca -0.30 0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 0.46 2.23 -0.05 1.61 1.11 -1.26 -5.14 119.66 118.63 2ayx s GLN 739 Ca 0.29 -2.34 -0.06 0.00 0.01 0.00 0.00 55.36 53.25 2ayx s GLN 739 Cb 0.23 -1.67 -0.04 0.00 -1.01 0.00 0.00 33.01 30.51 2ayx s GLN 739 CO -0.18 -0.49 0.20 -1.21 0.01 0.00 0.00 175.29 173.63 2ayx s GLU 740 N -4.02 3.51 0.39 2.91 0.41 -1.26 -5.09 118.70 115.55 2ayx s GLU 740 Ca 0.10 -0.14 -0.23 0.00 -0.41 0.00 0.00 54.97 54.29 2ayx s GLU 740 Cb -0.00 -3.13 -0.10 0.00 -1.78 0.00 0.00 34.13 29.11 2ayx s GLU 740 CO 0.06 0.71 0.96 -1.25 -0.49 0.00 0.00 175.26 175.25 2ayx s PRO 741 N -1.49 4.33 0.02 0.39 0.04 -1.26 -5.09 135.00 131.95 2ayx s PRO 741 Ca 0.22 1.25 0.03 0.00 0.04 0.00 0.00 61.00 62.55 2ayx s PRO 741 Cb -0.13 -2.44 -0.02 0.00 0.04 0.00 0.00 34.50 31.95 2ayx s PRO 741 CO 0.12 0.05 -0.11 0.99 0.04 0.00 0.00 177.00 178.10 2ayx s THR 742 N -1.91 0.82 -0.60 1.26 2.01 -1.17 -4.91 115.64 111.14 2ayx s THR 742 Ca 0.57 -0.75 0.14 0.00 0.31 0.00 0.00 61.69 61.96 2ayx s THR 742 Cb -0.14 -0.75 0.14 0.00 0.01 0.00 0.00 72.50 71.76 2ayx s THR 742 CO 0.19 0.00 1.42 -0.81 -0.69 0.00 0.00 174.62 174.73 2ayx n PRO 743 N 2.21 0.08 0.00 4.92 -0.04 -1.26 -0.60 135.00 140.31 2ayx n PRO 743 Ca -0.17 0.52 0.10 0.00 -0.04 0.00 0.00 63.50 63.91 2ayx n PRO 743 Cb 0.56 -1.74 -0.05 0.00 -0.04 0.00 0.00 33.50 32.23 2ayx n PRO 743 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2ayx n GLU 744 N -1.91 0.00 -4.13 0.54 4.07 -1.26 -1.94 120.64 116.02 2ayx n GLU 744 Ca 0.00 -0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 56.87 2ayx n GLU 744 Cb 0.06 -1.50 -0.05 0.00 -0.06 0.00 0.00 31.44 29.89 2ayx n GLU 744 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2ayx s ASP 745 N -3.00 5.40 -0.02 4.31 1.01 0.23 -4.67 116.67 119.93 2ayx s ASP 745 Ca 0.09 -0.26 0.05 0.00 0.71 0.00 0.00 52.55 53.13 2ayx s ASP 745 Cb 0.16 -1.35 -0.01 0.00 1.01 0.00 0.00 42.92 42.74 2ayx s ASP 745 CO 0.84 -0.00 -0.17 0.54 0.21 0.00 0.00 175.17 176.58 2ayx s VAL 746 N -2.03 1.37 -0.46 -1.27 0.11 -1.25 -0.78 120.40 116.08 2ayx s VAL 746 Ca 0.32 -0.72 -0.12 0.00 -2.93 0.00 0.00 61.98 58.53 2ayx s VAL 746 Cb -0.08 -1.15 0.09 0.00 -1.53 0.00 0.00 36.38 33.71 2ayx s VAL 746 CO 0.24 0.39 0.35 -0.22 -3.33 0.00 0.00 175.10 172.53 2ayx s LEU 747 N -0.26 5.54 -0.47 2.54 0.20 -0.84 -1.34 118.68 124.05 2ayx s LEU 747 Ca 0.03 -1.57 -0.19 0.00 0.69 0.00 0.00 54.13 53.10 2ayx s LEU 747 Cb -0.08 -2.08 0.04 0.00 -0.43 0.00 0.00 46.19 43.64 2ayx s LEU 747 CO 0.00 -0.65 0.56 -0.63 -0.29 0.00 0.00 176.35 175.34 2ayx s ILE 748 N 1.50 4.95 0.10 6.68 1.01 -0.10 -0.71 121.20 134.64 2ayx s ILE 748 Ca 0.04 -0.38 0.10 0.00 0.00 0.00 0.00 60.65 60.41 2ayx s ILE 748 Cb -0.25 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 2ayx s ILE 748 CO 0.03 -0.64 -0.27 0.28 0.00 0.00 0.00 174.94 174.35 2ayx s THR 749 N 2.45 2.24 -0.18 2.92 -1.32 0.01 -0.41 115.64 121.34 2ayx s THR 749 Ca 0.15 -1.64 -0.04 0.00 -1.21 0.00 0.00 61.69 58.95 2ayx s THR 749 Cb -0.18 -1.95 -0.02 0.00 -1.51 0.00 0.00 72.50 68.84 2ayx s THR 749 CO 0.13 0.18 -0.03 1.51 -2.21 0.00 0.00 174.62 174.20 2ayx s ASP 750 N -1.80 4.69 0.12 8.08 1.47 -1.07 -0.89 116.67 127.27 2ayx s ASP 750 Ca 0.13 -0.21 0.00 0.00 1.18 0.00 0.00 52.55 53.65 2ayx s ASP 750 Cb -0.10 -1.78 0.00 0.00 -0.34 0.00 0.00 42.92 40.70 2ayx s ASP 750 CO 0.05 0.10 0.00 -0.62 0.68 0.00 0.00 175.17 175.38 2ayx n GLU 751 N 4.01 -0.86 -2.62 2.11 -0.58 0.19 -4.66 120.64 118.23 2ayx n GLU 751 Ca -0.17 0.61 -0.42 0.00 -0.42 0.00 0.00 57.16 56.76 2ayx n GLU 751 Cb 0.52 -1.03 -0.03 0.00 -0.57 0.00 0.00 31.44 30.33 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 -1.96 3.95 -1.91 2.62 1.01 -1.26 -4.64 120.40 118.20 2ayx s VAL 752 Ca 0.00 0.51 0.31 0.00 0.00 0.00 0.00 61.98 62.81 2ayx s VAL 752 Cb 0.00 -4.79 0.80 0.00 0.00 0.00 0.00 36.38 32.39 2ayx s VAL 752 CO 0.00 -1.56 2.16 0.55 0.00 0.00 0.00 175.10 176.25 2ayx n VAL 753 N 6.43 0.00 -3.65 2.92 3.14 -1.26 -4.90 118.33 121.01 2ayx n VAL 753 Ca 0.04 -0.02 -0.25 0.00 -2.96 0.00 0.00 64.34 61.16 2ayx n VAL 753 Cb 0.49 -0.43 0.07 0.00 -1.06 0.00 0.00 33.84 32.90 2ayx n VAL 753 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2ayx n SER 754 N -0.99 -6.02 -4.22 6.55 7.64 -1.26 -5.00 113.62 110.32 2ayx n SER 754 Ca 0.22 -0.58 -0.18 0.00 1.01 0.00 0.00 58.87 59.34 2ayx n SER 754 Cb 0.15 -4.85 -0.11 0.00 -1.01 0.00 0.00 64.21 58.39 2ayx n SER 754 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2ayx s LYS 755 N -6.35 0.96 -0.25 1.43 2.47 -1.26 -5.07 119.74 111.67 2ayx s LYS 755 Ca 0.59 -1.17 -0.16 0.00 -1.56 0.00 0.00 55.97 53.66 2ayx s LYS 755 Cb -0.26 -0.84 -0.15 0.00 -1.46 0.00 0.00 37.83 35.11 2ayx s LYS 755 CO 0.75 0.16 -0.11 1.17 0.16 0.00 0.00 175.35 177.48 2ayx n LYS 756 N 0.67 0.59 -0.27 4.03 0.00 -1.26 -5.02 118.16 116.90 2ayx n LYS 756 Ca -0.17 0.38 0.00 0.00 0.00 0.00 0.00 58.31 58.52 2ayx n LYS 756 Cb 0.57 -1.60 0.00 0.00 0.00 0.00 0.00 35.03 34.00 2ayx n LYS 756 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.40 179.27 2ayx n TRP 757 N -4.25 -0.76 -3.85 5.64 -0.00 -1.26 -4.90 117.44 108.06 2ayx n TRP 757 Ca -0.45 0.40 -0.30 0.00 -0.00 0.00 0.00 57.50 57.15 2ayx n TRP 757 Cb 0.82 -1.46 -0.15 0.00 -0.00 0.00 0.00 31.31 30.52 2ayx n TRP 757 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 177.69 176.55 2ayx s GLN 758 N -5.52 1.14 0.00 5.87 0.74 -1.26 -4.99 119.66 115.63 2ayx s GLN 758 Ca 0.00 -1.07 0.00 0.00 0.05 0.00 0.00 55.36 54.34 2ayx s GLN 758 Cb 0.00 -2.40 0.00 0.00 1.10 0.00 0.00 33.01 31.71 2ayx s GLN 758 CO 0.00 -0.79 0.00 0.41 -0.55 0.00 0.00 175.29 174.36 2ayx n GLY 759 N 4.73 1.17 0.14 2.59 0.00 -1.26 -3.03 105.19 109.53 2ayx n GLY 759 Ca -0.06 0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.23 -1.96 1.61 2.43 -0.27 -3.44 114.38 112.53 2ayx h ARG 760 Ca 0.00 0.02 0.21 0.00 -0.81 0.00 0.00 59.98 59.39 2ayx h ARG 760 Cb 0.00 0.05 -0.13 0.00 -0.42 0.00 0.00 29.97 29.47 2ayx h ARG 760 CO 0.00 0.11 0.63 0.00 -1.51 0.00 0.00 179.97 179.19 2ayx s ALA 761 N -4.76 -1.91 -0.10 2.80 0.00 -1.22 -4.76 121.76 111.82 2ayx s ALA 761 Ca -0.15 0.78 -0.01 0.00 0.00 0.00 0.00 51.96 52.59 2ayx s ALA 761 Cb 0.02 0.37 0.03 0.00 0.00 0.00 0.00 23.12 23.54 2ayx s ALA 761 CO 0.59 -0.86 -0.05 0.54 0.00 0.00 0.00 175.76 175.98 2ayx s VAL 762 N -2.88 0.80 -0.44 0.00 0.11 0.12 -2.00 120.40 116.11 2ayx s VAL 762 Ca 0.10 -0.15 -0.11 0.00 -2.93 0.00 0.00 61.98 58.89 2ayx s VAL 762 Cb 0.00 -0.86 0.09 0.00 -1.53 0.00 0.00 36.38 34.08 2ayx s VAL 762 CO -0.04 0.33 0.31 -0.69 -3.33 0.00 0.00 175.10 171.68 2ayx s VAL 763 N 1.75 4.49 -0.29 2.04 1.01 0.11 -0.94 120.40 128.57 2ayx s VAL 763 Ca 0.04 -1.38 -0.10 0.00 0.00 0.00 0.00 61.98 60.54 2ayx s VAL 763 Cb -0.13 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 2ayx s VAL 763 CO -0.07 -0.58 0.15 -0.89 0.00 0.00 0.00 175.10 173.72 2ayx s THR 764 N 1.47 4.79 0.06 3.92 2.01 0.23 -0.81 115.64 127.30 2ayx s THR 764 Ca 0.04 -0.21 -0.28 0.00 0.31 0.00 0.00 61.69 61.55 2ayx s THR 764 Cb -0.24 -3.37 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 2ayx s THR 764 CO 0.03 0.16 0.89 -0.36 -0.69 0.00 0.00 174.62 174.64 2ayx s PHE 765 N 1.66 3.74 -0.09 4.92 0.08 -0.07 -1.83 117.98 126.40 2ayx s PHE 765 Ca 0.06 1.65 -0.13 0.00 0.12 0.00 0.00 56.93 58.63 2ayx s PHE 765 Cb -0.16 -2.98 -0.05 0.00 -0.57 0.00 0.00 43.02 39.25 2ayx s PHE 765 CO 0.07 0.17 0.30 0.00 -0.10 0.00 0.00 175.22 175.67 2ayx n ARG 767 N 2.49 0.00 -0.04 0.00 3.00 -1.26 -4.40 116.66 116.45 2ayx n ARG 767 Ca -0.15 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.65 2ayx n ARG 767 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.93 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 -2.04 1.42 -3.86 -0.14 3.00 -1.26 -4.99 116.66 108.78 2ayx n ARG 768 Ca 0.00 0.03 -0.36 0.00 -0.01 0.00 0.00 57.85 57.51 2ayx n ARG 768 Cb 0.00 -1.20 -0.07 0.00 0.00 0.00 0.00 32.46 31.19 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 -2.20 3.52 -0.07 -1.55 3.76 -1.26 -5.09 115.29 112.41 2ayx s HIS 769 Ca -0.09 0.45 0.01 0.00 -0.15 0.00 0.00 55.06 55.29 2ayx s HIS 769 Cb 0.03 -2.00 0.02 0.00 1.11 0.00 0.00 32.58 31.74 2ayx s HIS 769 CO 0.27 0.59 -0.10 0.42 -0.85 0.00 0.00 174.74 175.08 2ayx s ILE 770 N -0.60 1.00 0.00 0.60 1.01 -1.26 -4.64 121.20 117.31 2ayx s ILE 770 Ca 0.13 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.40 2ayx s ILE 770 Cb -0.12 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.40 2ayx s ILE 770 CO 0.02 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.91 2ayx n GLY 771 N 4.10 0.00 3.78 6.18 0.00 -1.26 -5.16 105.19 112.84 2ayx n GLY 771 Ca -0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 4.69 0.12 -0.61 1.01 -1.26 -5.07 121.20 120.08 2ayx s ILE 772 Ca 0.00 -0.49 -0.31 0.00 0.00 0.00 0.00 60.65 59.85 2ayx s ILE 772 Cb 0.00 -3.17 -0.10 0.00 0.01 0.00 0.00 42.46 39.20 2ayx s ILE 772 CO 0.00 0.30 1.76 -2.16 0.00 0.00 0.00 174.94 174.84 2ayx s PRO 773 N -1.89 4.15 0.00 2.79 0.04 -1.26 -4.98 135.00 133.85 2ayx s PRO 773 Ca 0.24 2.52 0.00 0.00 0.04 0.00 0.00 61.00 63.80 2ayx s PRO 773 Cb -0.12 -3.54 0.00 0.00 0.04 0.00 0.00 34.50 30.88 2ayx s PRO 773 CO 0.16 -0.80 0.00 1.47 0.04 0.00 0.00 177.00 177.87 2ayx n LEU 774 N 5.45 0.00 -3.09 -3.56 -0.00 -1.26 -4.09 117.00 110.45 2ayx n LEU 774 Ca 0.17 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 56.03 2ayx n LEU 774 Cb 0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.79 2ayx n LEU 774 CO 0.65 -0.11 1.88 -0.62 -0.00 0.00 0.00 177.39 179.19 2ayx n GLU 775 N -0.21 1.39 -0.02 1.47 4.71 0.06 -2.72 120.64 125.31 2ayx n GLU 775 Ca 0.00 -1.12 0.01 0.00 -0.01 0.00 0.00 57.16 56.04 2ayx n GLU 775 Cb 0.00 -2.28 0.01 0.00 -1.01 0.00 0.00 31.44 28.16 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 4.39 1.68 -4.26 3.49 2.85 -1.26 -5.05 118.16 119.99 2ayx n LYS 776 Ca 0.30 -1.17 -0.14 0.00 -1.05 0.00 0.00 58.31 56.24 2ayx n LYS 776 Cb 0.10 -0.82 -0.10 0.00 -0.65 0.00 0.00 35.03 33.55 2ayx n LYS 776 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2ayx s ALA 777 N -0.69 1.48 0.61 0.58 0.00 -1.10 -5.06 121.76 117.57 2ayx s ALA 777 Ca 0.02 -1.64 0.30 0.00 0.00 0.00 0.00 51.96 50.64 2ayx s ALA 777 Cb 0.01 0.53 1.67 0.00 0.00 0.00 0.00 23.12 25.33 2ayx s ALA 777 CO 0.00 -0.30 2.04 -1.00 0.00 0.00 0.00 175.76 176.51 2ayx h PRO 778 N 2.64 0.00 0.00 0.00 0.13 -1.97 -3.23 132.00 129.57 2ayx h PRO 778 Ca -0.37 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.66 2ayx h PRO 778 Cb 1.21 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.23 2ayx h PRO 778 CO 0.63 0.00 -0.27 0.41 -0.23 0.00 0.00 178.00 178.54 2ayx n GLY 779 N -1.37 0.64 3.62 1.56 0.00 -1.26 -5.03 105.19 103.35 2ayx n GLY 779 Ca 0.02 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2ayx n GLY 779 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ayx s GLU 780 N 0.00 3.96 -0.00 1.61 8.01 -1.22 -0.70 118.70 130.36 2ayx s GLU 780 Ca 0.02 -0.35 0.03 0.00 0.01 0.00 0.00 54.97 54.68 2ayx s GLU 780 Cb 0.02 -3.24 -0.01 0.00 -4.31 0.00 0.00 34.13 26.60 2ayx s GLU 780 CO -0.01 0.24 -0.09 -1.58 0.01 0.00 0.00 175.26 173.83 2ayx s TRP 781 N 0.47 0.82 0.04 1.61 0.52 -0.12 -0.76 118.94 121.53 2ayx s TRP 781 Ca 0.03 -0.17 0.02 0.00 0.02 0.00 0.00 56.10 56.00 2ayx s TRP 781 Cb -0.13 -0.53 -0.02 0.00 -1.15 0.00 0.00 33.47 31.65 2ayx s TRP 781 CO 0.01 -0.01 -0.08 0.14 0.02 0.00 0.00 176.95 177.02 2ayx s VAL 782 N -0.28 0.56 -0.19 4.03 -7.23 -1.26 -0.60 120.40 115.43 2ayx s VAL 782 Ca 0.03 -0.98 -0.29 0.00 -1.81 0.00 0.00 61.98 58.92 2ayx s VAL 782 Cb -0.04 -0.60 0.13 0.00 0.56 0.00 0.00 36.38 36.44 2ayx s VAL 782 CO -0.00 -0.31 1.05 -2.28 -0.31 0.00 0.00 175.10 173.25 2ayx s HIS 783 N -1.21 -0.34 -0.46 2.82 2.46 -0.76 -4.94 115.29 112.86 2ayx s HIS 783 Ca -0.08 0.62 -0.10 0.00 0.47 0.00 0.00 55.06 55.96 2ayx s HIS 783 Cb -0.09 0.45 0.10 0.00 -0.13 0.00 0.00 32.58 32.91 2ayx s HIS 783 CO 0.00 -0.29 0.33 -1.12 -2.47 0.00 0.00 174.74 171.20 2ayx s SER 784 N -0.93 5.77 -0.09 9.88 0.01 -1.26 -0.96 113.70 126.11 2ayx s SER 784 Ca 0.00 -1.69 -0.32 0.00 1.31 0.00 0.00 55.95 55.25 2ayx s SER 784 Cb -0.01 -2.04 0.12 0.00 0.21 0.00 0.00 66.02 64.30 2ayx s SER 784 CO -0.01 -0.65 1.04 0.54 0.41 0.00 0.00 173.24 174.58 2ayx s VAL 785 N 1.43 0.00 -0.39 3.43 0.11 -1.26 -4.99 120.40 118.74 2ayx s VAL 785 Ca 0.04 -0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.16 2ayx s VAL 785 Cb -0.25 -1.00 0.55 0.00 -1.53 0.00 0.00 36.38 34.15 2ayx s VAL 785 CO 0.01 0.00 1.55 0.00 -3.33 0.00 0.00 175.10 173.33 2ayx n ALA 786 N -0.17 4.15 -3.47 1.54 0.00 -1.26 -4.93 120.51 116.38 2ayx n ALA 786 Ca -0.04 -1.77 -0.19 0.00 0.00 0.00 0.00 53.44 51.43 2ayx n ALA 786 Cb 0.60 -1.21 0.03 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.12 -2.58 0.04 0.00 0.00 -1.26 -4.69 120.51 111.89 2ayx n ALA 787 Ca 0.32 -0.13 -0.13 0.00 0.00 0.00 0.00 53.44 53.51 2ayx n ALA 787 Cb 1.16 -3.07 -0.09 0.00 0.00 0.00 0.00 19.45 17.45 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 -0.86 -0.07 0.00 0.00 0.11 -2.00 -3.45 132.00 125.73 2ayx h PRO 788 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2ayx h PRO 788 Cb 1.26 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2ayx h PRO 788 CO 0.41 0.21 0.00 1.58 -0.21 0.00 0.00 178.00 179.99 2ayx n HIS 789 N -4.99 0.00 -0.15 0.65 -0.00 -1.26 -4.97 115.22 104.50 2ayx n HIS 789 Ca -0.08 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.56 2ayx n HIS 789 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.16 2ayx n HIS 789 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 2ayx h GLU 790 N 0.00 0.61 0.25 1.57 4.11 -1.99 -1.60 114.58 117.53 2ayx h GLU 790 Ca 0.00 -0.07 -0.01 0.00 0.07 0.00 0.00 59.36 59.35 2ayx h GLU 790 Cb 0.00 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2ayx h GLU 790 CO 0.00 0.49 -0.12 1.25 0.07 0.00 0.00 179.01 180.69 2ayx h LEU 791 N 0.57 -0.29 -1.55 3.06 7.12 -1.93 -0.43 115.31 121.87 2ayx h LEU 791 Ca 0.15 -0.19 0.08 0.00 0.13 0.00 0.00 57.88 58.05 2ayx h LEU 791 Cb 0.05 0.07 -0.04 0.00 -0.53 0.00 0.00 40.66 40.22 2ayx h LEU 791 CO -0.02 0.06 0.42 1.55 -0.13 0.00 0.00 178.44 180.31 2ayx h PRO 792 N -0.66 0.52 -0.39 5.25 0.13 -1.86 -0.76 132.00 134.22 2ayx h PRO 792 Ca -0.03 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.03 2ayx h PRO 792 Cb 0.46 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.46 2ayx h PRO 792 CO 0.06 0.34 0.12 0.00 -0.23 0.00 0.00 178.00 178.29 2ayx h ALA 793 N 1.67 0.51 -0.14 -0.56 0.00 -1.13 -0.23 119.26 119.39 2ayx h ALA 793 Ca 0.28 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2ayx h ALA 793 Cb 0.41 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2ayx h ALA 793 CO -0.09 0.16 0.05 1.25 0.00 0.00 0.00 179.25 180.62 2ayx h LEU 794 N 0.49 0.05 -0.58 0.00 7.12 -0.05 -2.13 115.31 120.20 2ayx h LEU 794 Ca 0.13 0.01 -0.07 0.00 0.13 0.00 0.00 57.88 58.07 2ayx h LEU 794 Cb 0.26 0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 40.37 2ayx h LEU 794 CO -0.00 0.05 0.07 -0.07 -0.13 0.00 0.00 178.44 178.36 2ayx h LEU 795 N 0.11 0.94 0.04 2.25 -0.00 -1.07 -1.31 115.31 116.27 2ayx h LEU 795 Ca 0.06 -0.27 -0.00 0.00 -0.00 0.00 0.00 57.88 57.66 2ayx h LEU 795 Cb 0.03 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.44 2ayx h LEU 795 CO -0.06 0.98 -0.02 0.00 -0.00 0.00 0.00 178.44 179.34 2ayx h ALA 796 N 1.00 -0.05 0.00 1.53 0.00 -0.87 -1.95 119.26 118.93 2ayx h ALA 796 Ca 0.17 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2ayx h ALA 796 Cb 0.45 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2ayx h ALA 796 CO 0.02 -0.52 -0.32 0.07 0.00 0.00 0.00 179.25 178.49 2ayx h ARG 797 N -0.05 0.00 0.00 0.00 0.11 -1.30 -2.59 114.38 110.55 2ayx h ARG 797 Ca -0.01 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.02 2ayx h ARG 797 Cb 0.04 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.12 2ayx h ARG 797 CO 0.01 0.32 -0.26 0.97 0.10 0.00 0.00 179.97 181.11 2ayx h ILE 798 N 0.00 0.56 0.00 0.08 2.10 -0.92 -2.76 117.51 116.57 2ayx h ILE 798 Ca -0.00 -1.33 0.00 0.00 1.08 0.00 0.00 64.86 64.61 2ayx h ILE 798 Cb 0.84 1.92 0.00 0.00 -1.09 0.00 0.00 36.82 38.48 2ayx h ILE 798 CO 0.04 0.25 -0.03 1.88 -1.08 0.00 0.00 178.15 179.22 2ayx h TYR 799 N 0.00 0.00 -4.28 2.19 0.05 -0.95 -3.49 116.97 110.48 2ayx h TYR 799 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2ayx h TYR 799 Cb 0.90 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.62 2ayx h TYR 799 CO 0.00 0.00 -0.71 1.28 -1.05 0.00 0.00 178.16 177.68 2ayx n LEU 800 N -2.98 -5.42 -4.30 3.88 4.77 -1.04 -5.00 117.00 106.91 2ayx n LEU 800 Ca 0.04 1.02 -0.41 0.00 -0.03 0.00 0.00 56.01 56.64 2ayx n LEU 800 Cb 0.52 -2.44 -0.10 0.00 -2.33 0.00 0.00 43.42 39.07 2ayx n LEU 800 CO 0.34 -2.11 -0.11 -0.63 -1.33 0.00 0.00 177.39 173.54 2ayx s ILE 801 N -0.86 4.36 -0.86 -0.08 1.01 -1.26 -4.96 121.20 118.55 2ayx s ILE 801 Ca -0.04 -1.25 0.01 0.00 0.00 0.00 0.00 60.65 59.36 2ayx s ILE 801 Cb 0.00 -3.61 0.31 0.00 0.01 0.00 0.00 42.46 39.18 2ayx s ILE 801 CO 0.49 -0.44 1.37 -0.62 0.00 0.00 0.00 174.94 175.73 2ayx n GLU 802 N 4.95 4.26 -1.71 2.79 -0.58 -1.26 -5.03 120.64 124.06 2ayx n GLU 802 Ca -0.11 -4.71 -0.43 0.00 -0.42 0.00 0.00 57.16 51.50 2ayx n GLU 802 Cb 0.44 -2.38 -0.03 0.00 -0.57 0.00 0.00 31.44 28.89 2ayx n GLU 802 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2ayx n MET 803 N 0.28 2.63 -4.32 3.49 2.81 -1.26 -4.73 117.12 116.02 2ayx n MET 803 Ca 0.36 0.95 -0.32 0.00 -1.81 0.00 0.00 57.70 56.88 2ayx n MET 803 Cb 0.33 -2.78 -0.09 0.00 -0.71 0.00 0.00 33.22 29.97 2ayx n MET 803 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 2ayx s GLU 804 N 1.07 2.64 0.26 0.03 4.04 -1.26 -5.12 118.70 120.36 2ayx s GLU 804 Ca 0.76 -0.70 -0.02 0.00 0.04 0.00 0.00 54.97 55.04 2ayx s GLU 804 Cb -0.55 -2.57 -0.04 0.00 0.02 0.00 0.00 34.13 30.99 2ayx s GLU 804 CO 0.34 0.60 0.48 -1.12 -1.84 0.00 0.00 175.26 173.72 2ayx s SER 805 N -1.65 6.39 -0.27 0.83 0.01 -1.26 -5.08 113.70 112.66 2ayx s SER 805 Ca 0.20 0.52 -0.01 0.00 1.31 0.00 0.00 55.95 57.97 2ayx s SER 805 Cb -0.11 -2.06 0.04 0.00 0.21 0.00 0.00 66.02 64.10 2ayx s SER 805 CO 0.11 -0.15 -0.05 -0.62 0.41 0.00 0.00 173.24 172.94 2ayx s ASP 806 N -3.34 4.57 -0.42 2.44 2.15 -1.26 -5.07 116.67 115.73 2ayx s ASP 806 Ca 0.41 -1.14 0.02 0.00 0.43 0.00 0.00 52.55 52.27 2ayx s ASP 806 Cb -0.11 -1.66 0.12 0.00 -0.30 0.00 0.00 42.92 40.97 2ayx s ASP 806 CO 0.31 -0.20 0.17 -0.62 -0.17 0.00 0.00 175.17 174.66 2ayx s ASP 807 N 1.25 4.77 0.01 -0.34 2.15 -1.26 -5.09 116.67 118.15 2ayx s ASP 807 Ca -0.04 -2.43 -0.19 0.00 0.43 0.00 0.00 52.55 50.32 2ayx s ASP 807 Cb -0.19 -1.68 -0.06 0.00 -0.30 0.00 0.00 42.92 40.69 2ayx s ASP 807 CO -0.03 -0.37 0.54 -2.16 -0.17 0.00 0.00 175.17 172.98 2ayx s PRO 808 N 0.53 4.21 -0.11 4.34 0.05 -1.26 -5.07 135.00 137.70 2ayx s PRO 808 Ca 0.13 0.64 -0.30 0.00 0.05 0.00 0.00 61.00 61.51 2ayx s PRO 808 Cb -0.22 -3.30 0.12 0.00 0.05 0.00 0.00 34.50 31.15 2ayx s PRO 808 CO -0.05 0.48 0.99 0.00 0.05 0.00 0.00 177.00 178.47 2ayx s ALA 809 N -0.53 -1.91 -0.41 8.56 0.00 -1.26 -5.11 121.76 121.10 2ayx s ALA 809 Ca 0.28 1.38 0.05 0.00 0.00 0.00 0.00 51.96 53.67 2ayx s ALA 809 Cb -0.18 -0.23 0.32 0.00 0.00 0.00 0.00 23.12 23.03 2ayx s ALA 809 CO 0.16 -0.49 1.21 -1.71 0.00 0.00 0.00 175.76 174.94 2ayx n ASN 810 N 0.26 -1.95 -4.58 0.00 2.85 -1.26 -5.12 115.26 105.46 2ayx n ASN 810 Ca -0.08 -2.99 -0.43 0.00 -0.11 0.00 0.00 54.58 50.97 2ayx n ASN 810 Cb 0.59 1.63 -0.04 0.00 1.24 0.00 0.00 39.78 43.20 2ayx n ASN 810 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ayx s ALA 811 N 0.21 3.32 -0.24 5.20 0.00 -1.26 -5.01 121.76 123.97 2ayx s ALA 811 Ca 0.22 -0.62 -0.00 0.00 0.00 0.00 0.00 51.96 51.56 2ayx s ALA 811 Cb 0.29 -3.59 0.07 0.00 0.00 0.00 0.00 23.12 19.89 2ayx s ALA 811 CO -0.11 -1.83 0.00 -0.51 0.00 0.00 0.00 175.76 173.31 2ayx s LEU 812 N 3.61 2.31 -0.18 0.00 2.01 -1.26 -5.11 118.68 120.06 2ayx s LEU 812 Ca 0.38 -1.23 -0.27 0.00 0.01 0.00 0.00 54.13 53.01 2ayx s LEU 812 Cb -0.11 -1.01 -0.01 0.00 0.01 0.00 0.00 46.19 45.08 2ayx s LEU 812 CO 0.23 -0.29 0.93 -2.16 1.01 0.00 0.00 176.35 176.06 2ayx s PRO 813 N 1.52 4.29 -0.15 1.29 0.05 -1.26 -5.03 135.00 135.71 2ayx s PRO 813 Ca -0.01 1.18 -0.04 0.00 0.05 0.00 0.00 61.00 62.18 2ayx s PRO 813 Cb -0.18 -3.60 0.07 0.00 0.05 0.00 0.00 34.50 30.84 2ayx s PRO 813 CO -0.10 -0.44 0.21 -1.12 0.05 0.00 0.00 177.00 175.60 2ayx s SER 814 N 1.19 0.98 -0.08 6.66 0.01 -1.26 -5.13 113.70 116.06 2ayx s SER 814 Ca 0.41 0.13 -0.03 0.00 1.31 0.00 0.00 55.95 57.77 2ayx s SER 814 Cb -0.16 0.40 0.04 0.00 0.21 0.00 0.00 66.02 66.51 2ayx s SER 814 CO 0.11 -0.28 0.16 -0.89 0.41 0.00 0.00 173.24 172.74 2ayx s THR 815 N 2.33 -0.15 0.01 1.44 2.01 -1.26 -5.15 115.64 114.86 2ayx s THR 815 Ca 0.04 0.26 0.08 0.00 0.31 0.00 0.00 61.69 62.38 2ayx s THR 815 Cb -0.14 -0.27 -0.03 0.00 0.01 0.00 0.00 72.50 72.08 2ayx s THR 815 CO -0.09 0.11 -0.23 -0.62 -0.69 0.00 0.00 174.62 173.09 2ayx s ASP 816 N 1.69 3.33 -0.30 3.53 -1.08 -1.26 -5.11 116.67 117.47 2ayx s ASP 816 Ca -0.04 -0.46 -0.16 0.00 -0.52 0.00 0.00 52.55 51.37 2ayx s ASP 816 Cb -0.12 -0.43 0.17 0.00 -1.46 0.00 0.00 42.92 41.08 2ayx s ASP 816 CO -0.06 0.30 1.07 -1.59 0.52 0.00 0.00 175.17 175.41 2ayx s LYS 817 N -0.95 0.23 -0.13 4.34 -2.85 -1.26 -5.17 119.74 113.97 2ayx s LYS 817 Ca 0.11 0.53 -0.05 0.00 -1.00 0.00 0.00 55.97 55.56 2ayx s LYS 817 Cb -0.10 0.26 0.06 0.00 -2.06 0.00 0.00 37.83 35.99 2ayx s LYS 817 CO 0.01 -0.07 0.27 0.00 0.10 0.00 0.00 175.35 175.66 2ayx s ALA 818 N 2.05 -0.60 -0.21 0.59 0.00 -1.26 -5.14 121.76 117.18 2ayx s ALA 818 Ca -0.04 1.01 -0.26 0.00 0.00 0.00 0.00 51.96 52.67 2ayx s ALA 818 Cb -0.04 -0.90 0.07 0.00 0.00 0.00 0.00 23.12 22.25 2ayx s ALA 818 CO -0.16 -0.48 0.70 0.54 0.00 0.00 0.00 175.76 176.36 2ayx s VAL 819 N 1.99 0.00 -0.17 0.00 0.11 -1.26 -5.18 120.40 115.89 2ayx s VAL 819 Ca -0.03 -0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 58.79 2ayx s VAL 819 Cb -0.11 -0.98 0.06 0.00 -1.53 0.00 0.00 36.38 33.81 2ayx s VAL 819 CO -0.09 -0.00 0.60 -0.44 -3.33 0.00 0.00 175.10 171.84 2ayx s SER 820 N -0.04 -0.60 -0.28 3.54 0.01 -1.26 -5.17 113.70 109.90 2ayx s SER 820 Ca -0.03 1.02 -0.22 0.00 1.31 0.00 0.00 55.95 58.04 2ayx s SER 820 Cb -0.04 1.02 0.12 0.00 0.21 0.00 0.00 66.02 67.33 2ayx s SER 820 CO 0.03 -0.31 0.95 -0.62 0.41 0.00 0.00 173.24 173.70 2ayx s ASP 821 N -0.13 -0.55 -0.35 2.44 2.15 -1.26 -5.07 116.67 113.90 2ayx s ASP 821 Ca -0.03 0.99 0.14 0.00 0.43 0.00 0.00 52.55 54.07 2ayx s ASP 821 Cb -0.03 1.08 0.42 0.00 -0.30 0.00 0.00 42.92 44.09 2ayx s ASP 821 CO 0.03 -0.16 1.32 -3.20 -0.17 0.00 0.00 175.17 172.98 2ayx n ASN 822 N 2.87 -0.73 -4.26 -0.34 5.15 -1.26 -5.12 115.26 111.57 2ayx n ASN 822 Ca -0.15 -2.36 -0.15 0.00 -0.60 0.00 0.00 54.58 51.32 2ayx n ASN 822 Cb 0.57 0.45 -0.10 0.00 -0.53 0.00 0.00 39.78 40.17 2ayx n ASN 822 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2ayx s ASP 823 N -1.86 1.88 0.00 1.20 -1.08 -1.26 -5.09 116.67 110.46 2ayx s ASP 823 Ca 0.19 -1.00 0.00 0.00 -0.52 0.00 0.00 52.55 51.23 2ayx s ASP 823 Cb 0.41 -0.03 0.00 0.00 -1.46 0.00 0.00 42.92 41.85 2ayx s ASP 823 CO -0.07 -0.30 0.00 -0.67 0.52 0.00 0.00 175.17 174.64 2ayx n ASP 824 N -0.16 0.00 -4.83 -0.34 2.03 -1.26 -5.14 116.55 106.85 2ayx n ASP 824 Ca -0.10 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.83 2ayx n ASP 824 Cb 0.60 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.94 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 1.24 3.83 -0.19 -0.67 1.75 -1.26 -5.03 119.30 118.97 2ayx s MET 825 Ca 0.00 0.15 -0.00 0.00 -1.25 0.00 0.00 55.69 54.58 2ayx s MET 825 Cb 0.00 -3.26 0.01 0.00 2.84 0.00 0.00 34.83 34.42 2ayx s MET 825 CO 0.00 0.61 -0.16 -1.64 -0.65 0.00 0.00 175.02 173.19 2ayx s MET 826 N -0.69 3.10 -0.20 4.11 1.00 -1.26 -2.24 119.30 123.12 2ayx s MET 826 Ca 0.19 -0.77 -0.06 0.00 0.00 0.00 0.00 55.69 55.05 2ayx s MET 826 Cb -0.14 -2.69 -0.03 0.00 0.00 0.00 0.00 34.83 31.97 2ayx s MET 826 CO 0.08 -0.20 0.01 0.42 0.00 0.00 0.00 175.02 175.34 2ayx s ILE 827 N 1.32 4.11 -0.19 2.53 -1.09 0.06 -0.86 121.20 127.09 2ayx s ILE 827 Ca 0.05 -0.26 -0.11 0.00 -2.23 0.00 0.00 60.65 58.09 2ayx s ILE 827 Cb -0.13 -2.86 -0.05 0.00 -1.58 0.00 0.00 42.46 37.84 2ayx s ILE 827 CO -0.10 0.43 0.19 -0.22 -1.23 0.00 0.00 174.94 174.00 2ayx s LEU 828 N 0.94 4.22 -0.21 2.97 2.96 -0.76 -1.33 118.68 127.47 2ayx s LEU 828 Ca 0.02 0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.26 2ayx s LEU 828 Cb -0.14 -2.19 0.03 0.00 0.50 0.00 0.00 46.19 44.39 2ayx s LEU 828 CO 0.02 0.15 -0.15 0.54 -1.32 0.00 0.00 176.35 175.59 2ayx s VAL 829 N 0.39 2.26 -0.43 1.68 0.11 0.15 -0.83 120.40 123.74 2ayx s VAL 829 Ca 0.11 -1.09 -0.03 0.00 -2.93 0.00 0.00 61.98 58.04 2ayx s VAL 829 Cb -0.12 -2.07 0.11 0.00 -1.53 0.00 0.00 36.38 32.78 2ayx s VAL 829 CO 0.00 0.36 0.23 -0.69 -3.33 0.00 0.00 175.10 171.67 2ayx s VAL 830 N 1.26 3.39 0.07 2.04 1.01 -0.00 -1.12 120.40 127.06 2ayx s VAL 830 Ca 0.01 -2.10 0.08 0.00 0.00 0.00 0.00 61.98 59.98 2ayx s VAL 830 Cb -0.15 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 2ayx s VAL 830 CO -0.10 -0.71 -0.21 -0.62 0.00 0.00 0.00 175.10 173.47 2ayx s ASP 831 N 1.82 3.66 0.07 3.32 2.15 -0.97 -1.06 116.67 125.67 2ayx s ASP 831 Ca 0.09 -0.53 0.23 0.00 0.43 0.00 0.00 52.55 52.77 2ayx s ASP 831 Cb -0.23 -0.49 0.19 0.00 -0.30 0.00 0.00 42.92 42.09 2ayx s ASP 831 CO -0.04 0.22 1.16 -0.90 -0.17 0.00 0.00 175.17 175.45 2ayx n ASP 832 N 1.29 0.64 -3.89 -0.34 5.75 -0.91 -4.30 116.55 114.79 2ayx n ASP 832 Ca -0.16 -0.10 -0.30 0.00 -0.01 0.00 0.00 54.79 54.21 2ayx n ASP 832 Cb 0.52 0.52 -0.15 0.00 -1.03 0.00 0.00 41.12 40.99 2ayx n ASP 832 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 2ayx s HIS 833 N -3.17 2.86 0.20 2.11 3.76 -1.26 -4.98 115.29 114.81 2ayx s HIS 833 Ca 0.05 -2.53 0.09 0.00 -0.15 0.00 0.00 55.06 52.52 2ayx s HIS 833 Cb 0.14 -2.41 0.67 0.00 1.11 0.00 0.00 32.58 32.09 2ayx s HIS 833 CO 0.76 -0.90 0.90 -2.30 -0.85 0.00 0.00 174.74 172.36 2ayx n PRO 834 N 4.32 -0.04 -0.11 8.40 -0.02 -1.26 -0.15 135.00 146.14 2ayx n PRO 834 Ca 0.02 0.80 0.05 0.00 -2.02 0.00 0.00 63.50 62.36 2ayx n PRO 834 Cb 0.41 -1.39 0.37 0.00 -0.02 0.00 0.00 33.50 32.87 2ayx n PRO 834 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 2ayx h ILE 835 N 0.00 1.08 -0.20 4.25 3.07 -1.98 -1.89 117.51 121.84 2ayx h ILE 835 Ca 0.44 -0.24 -0.20 0.00 1.55 0.00 0.00 64.86 66.42 2ayx h ILE 835 Cb 1.11 0.32 0.00 0.00 -0.27 0.00 0.00 36.82 37.98 2ayx h ILE 835 CO -0.47 0.13 -0.66 0.78 -1.05 0.00 0.00 178.15 176.88 2ayx h ASN 836 N 0.70 0.86 -0.69 2.16 2.35 -0.97 -2.67 115.58 117.32 2ayx h ASN 836 Ca 0.24 -0.51 0.13 0.00 -0.55 0.00 0.00 56.30 55.60 2ayx h ASN 836 Cb 0.08 -0.25 -0.09 0.00 0.05 0.00 0.00 38.32 38.11 2ayx h ASN 836 CO -0.06 1.29 0.23 0.03 -1.65 0.00 0.00 177.43 177.27 2ayx h ARG 837 N 0.55 0.36 -0.01 0.81 3.08 -1.44 -0.14 114.38 117.60 2ayx h ARG 837 Ca -0.02 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.02 2ayx h ARG 837 Cb 1.26 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 2ayx h ARG 837 CO 0.13 0.24 -0.03 -0.09 -1.07 0.00 0.00 179.97 179.16 2ayx h ARG 838 N 0.37 -0.05 0.25 0.04 1.12 -1.33 -2.37 114.38 112.42 2ayx h ARG 838 Ca 0.37 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 59.23 2ayx h ARG 838 Cb 0.55 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.53 2ayx h ARG 838 CO -0.40 -0.03 -0.12 -0.07 -3.11 0.00 0.00 179.97 176.24 2ayx h LEU 839 N -0.05 -0.28 -0.61 3.80 4.07 -0.73 0.26 115.31 121.77 2ayx h LEU 839 Ca 0.02 -0.10 -0.15 0.00 0.08 0.00 0.00 57.88 57.73 2ayx h LEU 839 Cb 0.07 0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 2ayx h LEU 839 CO -0.04 -0.07 -0.62 0.17 -1.08 0.00 0.00 178.44 176.79 2ayx h LEU 840 N -0.48 0.30 -0.58 1.67 -0.00 -1.30 -1.97 115.31 112.95 2ayx h LEU 840 Ca -0.03 -0.18 -0.12 0.00 -0.00 0.00 0.00 57.88 57.55 2ayx h LEU 840 Cb 0.36 -0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 40.92 2ayx h LEU 840 CO 0.06 0.85 -0.16 0.00 -0.00 0.00 0.00 178.44 179.19 2ayx h ALA 841 N 1.15 0.78 -0.67 0.17 0.00 -1.31 -0.44 119.26 118.94 2ayx h ALA 841 Ca -0.01 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 2ayx h ALA 841 Cb 1.14 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2ayx h ALA 841 CO 0.10 0.66 0.21 0.22 0.00 0.00 0.00 179.25 180.44 2ayx h ASP 842 N 0.85 0.97 -0.25 0.00 3.58 -0.79 0.37 116.42 121.14 2ayx h ASP 842 Ca 0.12 -0.21 0.02 0.00 0.42 0.00 0.00 57.03 57.39 2ayx h ASP 842 Cb 0.72 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.49 2ayx h ASP 842 CO 0.06 0.92 0.12 1.56 -2.88 0.00 0.00 179.24 179.01 2ayx h GLN 843 N 0.97 0.24 -0.48 0.28 4.20 -1.07 -1.59 115.11 117.66 2ayx h GLN 843 Ca 0.22 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.92 2ayx h GLN 843 Cb 0.29 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 2ayx h GLN 843 CO -0.01 0.16 0.32 1.25 -0.67 0.00 0.00 178.83 179.88 2ayx h LEU 844 N 0.25 0.54 -0.67 1.46 6.46 -0.71 -2.18 115.31 120.46 2ayx h LEU 844 Ca 0.11 -0.01 -0.08 0.00 -0.12 0.00 0.00 57.88 57.77 2ayx h LEU 844 Cb 0.04 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 39.81 2ayx h LEU 844 CO -0.08 0.39 0.11 1.23 -0.62 0.00 0.00 178.44 179.46 2ayx h GLY 845 N 0.64 1.19 2.00 3.75 0.00 -0.16 -2.20 103.07 108.29 2ayx h GLY 845 Ca 0.18 -0.79 -0.05 0.00 0.00 0.00 0.00 47.33 46.67 2ayx h GLY 845 CO -0.04 0.74 -0.22 1.48 0.00 0.00 0.00 176.54 178.49 2ayx h SER 846 N 1.03 0.00 0.82 0.19 4.64 -0.72 -1.81 113.55 117.71 2ayx h SER 846 Ca 0.20 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.42 2ayx h SER 846 Cb 0.44 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 2ayx h SER 846 CO 0.01 0.22 -0.49 -0.07 -0.87 0.00 0.00 176.83 175.63 2ayx h LEU 847 N 0.00 0.00 0.00 5.97 4.07 -0.92 -3.47 115.31 120.96 2ayx h LEU 847 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2ayx h LEU 847 Cb 0.61 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.35 2ayx h LEU 847 CO 0.03 0.49 0.00 0.61 -1.08 0.00 0.00 178.44 178.49 2ayx n GLY 848 N 0.36 1.22 3.60 0.83 0.00 -0.68 -5.09 105.19 105.42 2ayx n GLY 848 Ca -0.00 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 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 2.54 0.05 1.61 2.02 -1.14 -5.04 117.35 115.38 2ayx s TYR 849 Ca 0.00 -0.34 -0.30 0.00 -0.37 0.00 0.00 57.07 56.06 2ayx s TYR 849 Cb 0.00 -1.27 -0.05 0.00 -0.40 0.00 0.00 41.96 40.25 2ayx s TYR 849 CO 0.00 0.59 1.07 -0.65 -1.57 0.00 0.00 175.55 174.98 2ayx s GLN 850 N -3.65 4.53 0.01 -0.62 -1.52 -0.95 -4.52 119.66 112.94 2ayx s GLN 850 Ca 0.32 1.57 0.07 0.00 -1.95 0.00 0.00 55.36 55.37 2ayx s GLN 850 Cb -0.03 -3.39 -0.03 0.00 -0.22 0.00 0.00 33.01 29.33 2ayx s GLN 850 CO 0.19 -0.08 -0.19 0.00 -0.25 0.00 0.00 175.29 174.95 2ayx s LYS 852 N -1.12 1.67 -0.09 0.00 3.01 -0.44 -4.94 119.74 117.84 2ayx s LYS 852 Ca 0.13 -1.03 -0.15 0.00 -1.01 0.00 0.00 55.97 53.91 2ayx s LYS 852 Cb -0.10 -2.62 -0.05 0.00 -1.01 0.00 0.00 37.83 34.05 2ayx s LYS 852 CO 0.03 -0.60 0.37 0.95 0.51 0.00 0.00 175.35 176.61 2ayx s THR 853 N 1.36 5.19 0.32 2.17 -4.23 -1.26 -0.67 115.64 118.52 2ayx s THR 853 Ca -0.06 0.74 -0.02 0.00 -1.18 0.00 0.00 61.69 61.17 2ayx s THR 853 Cb -0.19 -3.70 -0.01 0.00 1.34 0.00 0.00 72.50 69.95 2ayx s THR 853 CO -0.06 0.45 0.43 0.00 -0.54 0.00 0.00 174.62 174.89 2ayx s ALA 854 N -0.10 0.84 -0.48 3.99 0.00 -0.27 -4.98 121.76 120.76 2ayx s ALA 854 Ca 0.21 -1.54 0.06 0.00 0.00 0.00 0.00 51.96 50.69 2ayx s ALA 854 Cb -0.15 1.21 0.18 0.00 0.00 0.00 0.00 23.12 24.36 2ayx s ALA 854 CO 0.09 -0.77 0.62 1.21 0.00 0.00 0.00 175.76 176.91 2ayx s ASN 855 N -3.23 -0.65 0.00 0.00 2.47 -1.26 -2.28 114.94 109.99 2ayx s ASN 855 Ca 0.32 -2.03 0.00 0.00 0.42 0.00 0.00 52.86 51.56 2ayx s ASN 855 Cb 0.00 1.27 0.00 0.00 -1.45 0.00 0.00 41.25 41.08 2ayx s ASN 855 CO 0.20 -0.09 0.00 -0.67 -3.72 0.00 0.00 177.10 172.81 2ayx n ASP 856 N 3.01 0.00 -0.02 -4.21 -0.08 -1.26 -4.98 116.55 109.01 2ayx n ASP 856 Ca 0.21 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.32 2ayx n ASP 856 Cb 0.54 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.91 2ayx n ASP 856 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2ayx h GLY 857 N 0.00 0.68 1.88 0.27 0.00 -1.98 -2.45 103.07 101.47 2ayx h GLY 857 Ca 0.00 -0.97 -0.11 0.00 0.00 0.00 0.00 47.33 46.25 2ayx h GLY 857 CO 0.00 0.86 -0.45 -0.39 0.00 0.00 0.00 176.54 176.56 2ayx h VAL 858 N 0.26 1.33 -0.09 4.60 -1.51 -1.96 -2.18 116.25 116.69 2ayx h VAL 858 Ca -0.04 -1.60 -0.21 0.00 -1.23 0.00 0.00 66.70 63.61 2ayx h VAL 858 Cb 1.26 1.80 0.00 0.00 -2.13 0.00 0.00 31.29 32.21 2ayx h VAL 858 CO 0.13 0.47 -0.80 -0.78 -1.23 0.00 0.00 177.57 175.36 2ayx h ASP 859 N 0.11 0.68 -0.61 4.19 3.58 -1.94 -1.17 116.42 121.27 2ayx h ASP 859 Ca 0.01 -0.47 -0.01 0.00 0.42 0.00 0.00 57.03 56.98 2ayx h ASP 859 Cb 0.85 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.66 2ayx h ASP 859 CO 0.06 1.24 0.35 0.00 -2.88 0.00 0.00 179.24 178.01 2ayx h ALA 860 N 0.74 1.44 -0.31 -0.78 0.00 -1.22 -0.05 119.26 119.08 2ayx h ALA 860 Ca -0.05 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2ayx h ALA 860 Cb 1.41 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2ayx h ALA 860 CO 0.15 0.47 -0.16 -0.07 0.00 0.00 0.00 179.25 179.64 2ayx h LEU 861 N 0.86 0.68 -0.04 0.00 3.38 -1.21 -1.57 115.31 117.40 2ayx h LEU 861 Ca 0.22 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.79 2ayx h LEU 861 Cb 0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2ayx h LEU 861 CO -0.04 0.94 -0.03 -1.13 0.09 0.00 0.00 178.44 178.27 2ayx h ASN 862 N 0.41 -0.09 0.13 -0.43 -1.24 -0.58 -1.85 115.58 111.93 2ayx h ASN 862 Ca 0.07 0.02 -0.05 0.00 0.71 0.00 0.00 56.30 57.05 2ayx h ASN 862 Cb 0.68 0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.77 2ayx h ASN 862 CO 0.05 -0.04 -0.18 1.62 -1.29 0.00 0.00 177.43 177.59 2ayx h VAL 863 N -0.04 1.17 -0.65 2.57 3.04 -1.04 -1.62 116.25 119.69 2ayx h VAL 863 Ca 0.03 -0.77 -0.04 0.00 -1.01 0.00 0.00 66.70 64.90 2ayx h VAL 863 Cb 0.07 1.32 -0.03 0.00 -2.01 0.00 0.00 31.29 30.64 2ayx h VAL 863 CO -0.06 0.23 0.23 0.25 -1.01 0.00 0.00 177.57 177.21 2ayx h LEU 864 N 0.11 0.89 0.00 3.16 6.46 -0.62 0.31 115.31 125.62 2ayx h LEU 864 Ca 0.02 -0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.64 2ayx h LEU 864 Cb 0.39 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.08 2ayx h LEU 864 CO 0.03 0.82 -0.32 0.28 -0.62 0.00 0.00 178.44 178.63 2ayx h SER 865 N 0.94 0.00 0.06 1.25 0.02 -0.64 -3.34 113.55 111.84 2ayx h SER 865 Ca 0.21 -0.02 -0.24 0.00 -0.84 0.00 0.00 61.79 60.91 2ayx h SER 865 Cb 0.23 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 2ayx h SER 865 CO -0.01 0.01 -1.28 0.50 -1.14 0.00 0.00 176.83 174.91 2ayx h LYS 866 N 0.00 0.12 -5.10 3.45 1.63 -1.00 -3.49 116.57 112.18 2ayx h LYS 866 Ca 0.00 -0.20 -0.38 0.00 -0.85 0.00 0.00 60.65 59.21 2ayx h LYS 866 Cb 0.94 0.08 -0.14 0.00 -0.60 0.00 0.00 32.23 32.51 2ayx h LYS 866 CO 0.00 1.10 -0.66 0.54 -3.45 0.00 0.00 179.45 176.98 2ayx s ASN 867 N -6.87 1.87 -0.10 4.20 2.20 0.07 -5.09 114.94 111.21 2ayx s ASN 867 Ca -0.24 -1.22 -0.22 0.00 -0.94 0.00 0.00 52.86 50.24 2ayx s ASN 867 Cb 0.05 0.00 -0.03 0.00 -2.00 0.00 0.00 41.25 39.26 2ayx s ASN 867 CO 0.68 -0.50 0.66 -2.28 -2.94 0.00 0.00 177.10 172.72 2ayx s HIS 868 N -3.40 3.53 -0.06 1.54 5.65 -1.26 -4.42 115.29 116.87 2ayx s HIS 868 Ca 0.28 1.15 0.05 0.00 0.25 0.00 0.00 55.06 56.79 2ayx s HIS 868 Cb 0.06 -2.77 -0.02 0.00 -1.18 0.00 0.00 32.58 28.66 2ayx s HIS 868 CO 0.09 0.05 -0.20 0.42 -0.65 0.00 0.00 174.74 174.44 2ayx s ILE 869 N 0.99 2.51 -0.19 0.89 1.01 -1.26 -4.67 121.20 120.49 2ayx s ILE 869 Ca 0.34 -0.91 -0.21 0.00 0.00 0.00 0.00 60.65 59.88 2ayx s ILE 869 Cb -0.17 -1.95 -0.21 0.00 0.01 0.00 0.00 42.46 40.14 2ayx s ILE 869 CO 0.15 0.57 0.31 0.44 0.00 0.00 0.00 174.94 176.42 2ayx h ASP 870 N 5.85 0.06 -4.01 3.58 3.32 -1.40 -3.45 116.42 120.36 2ayx h ASP 870 Ca -0.37 -0.62 -0.51 0.00 0.02 0.00 0.00 57.03 55.55 2ayx h ASP 870 Cb 1.17 -0.02 -0.30 0.00 0.22 0.00 0.00 39.33 40.39 2ayx h ASP 870 CO 0.49 1.48 -0.82 -0.63 -1.72 0.00 0.00 179.24 178.04 2ayx s ILE 871 N -2.37 1.18 -0.25 0.35 -1.09 -1.25 -4.35 121.20 113.43 2ayx s ILE 871 Ca -0.27 -0.60 -0.05 0.00 -2.23 0.00 0.00 60.65 57.50 2ayx s ILE 871 Cb 0.05 -1.01 -0.00 0.00 -1.58 0.00 0.00 42.46 39.92 2ayx s ILE 871 CO 0.63 0.34 0.01 -0.69 -1.23 0.00 0.00 174.94 174.00 2ayx s VAL 872 N -0.08 3.63 -0.34 2.92 1.01 -1.08 -1.84 120.40 124.63 2ayx s VAL 872 Ca 0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.32 2ayx s VAL 872 Cb -0.09 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.56 2ayx s VAL 872 CO 0.01 0.28 0.16 -0.76 0.00 0.00 0.00 175.10 174.79 2ayx s LEU 873 N 1.49 4.34 -0.58 3.92 1.43 -0.01 -0.77 118.68 128.51 2ayx s LEU 873 Ca 0.04 -0.77 -0.11 0.00 -1.03 0.00 0.00 54.13 52.26 2ayx s LEU 873 Cb -0.16 -1.99 0.15 0.00 0.03 0.00 0.00 46.19 44.22 2ayx s LEU 873 CO -0.01 -0.28 0.47 -0.44 0.23 0.00 0.00 176.35 176.33 2ayx s SER 874 N 1.56 5.96 -0.41 2.29 0.01 -0.14 -0.82 113.70 122.16 2ayx s SER 874 Ca 0.03 -2.16 -0.11 0.00 1.31 0.00 0.00 55.95 55.02 2ayx s SER 874 Cb -0.18 -2.07 0.06 0.00 0.21 0.00 0.00 66.02 64.03 2ayx s SER 874 CO 0.06 -0.67 0.26 -0.62 0.41 0.00 0.00 173.24 172.68 2ayx s ASP 875 N 2.52 5.75 -0.05 2.44 2.15 -0.23 -0.85 116.67 128.41 2ayx s ASP 875 Ca 0.09 -1.28 0.05 0.00 0.43 0.00 0.00 52.55 51.83 2ayx s ASP 875 Cb -0.23 -2.03 -0.00 0.00 -0.30 0.00 0.00 42.92 40.36 2ayx s ASP 875 CO -0.02 -0.50 -0.19 0.68 -0.17 0.00 0.00 175.17 174.98 2ayx s VAL 876 N 1.51 1.58 -0.05 1.11 -7.23 -0.13 -2.14 120.40 115.05 2ayx s VAL 876 Ca 0.03 -0.79 -0.26 0.00 -1.81 0.00 0.00 61.98 59.14 2ayx s VAL 876 Cb -0.22 -1.36 -0.21 0.00 0.56 0.00 0.00 36.38 35.16 2ayx s VAL 876 CO 0.05 0.45 1.13 -1.13 -0.31 0.00 0.00 175.10 175.29 2ayx h ASN 877 N 6.28 -0.02 -3.83 4.85 -1.24 -1.94 -2.51 115.58 117.17 2ayx h ASN 877 Ca -0.31 -0.58 0.05 0.00 0.71 0.00 0.00 56.30 56.16 2ayx h ASN 877 Cb 1.18 0.00 -0.24 0.00 0.73 0.00 0.00 38.32 40.00 2ayx h ASN 877 CO 0.48 0.58 0.44 0.00 -1.29 0.00 0.00 177.43 177.63 2ayx s MET 878 N -3.77 0.63 0.34 6.67 0.23 -1.26 -3.60 119.30 118.53 2ayx s MET 878 Ca -0.16 0.41 0.05 0.00 -1.03 0.00 0.00 55.69 54.95 2ayx s MET 878 Cb 0.01 0.30 0.69 0.00 -1.53 0.00 0.00 34.83 34.30 2ayx s MET 878 CO 0.66 -0.14 1.90 -1.35 -2.03 0.00 0.00 175.02 174.06 2ayx h PRO 879 N 3.46 0.81 -1.78 3.16 0.11 -1.92 -3.46 132.00 132.38 2ayx h PRO 879 Ca -0.24 -0.05 -0.37 0.00 0.11 0.00 0.00 66.00 65.45 2ayx h PRO 879 Cb 1.17 -0.18 -0.08 0.00 0.11 0.00 0.00 31.00 32.01 2ayx h PRO 879 CO 0.22 0.53 -0.41 -1.71 -0.21 0.00 0.00 178.00 176.43 2ayx n ASN 880 N -4.52 -5.24 0.00 -2.05 5.15 -1.26 -4.36 115.26 102.98 2ayx n ASN 880 Ca 0.14 0.20 0.00 0.00 -0.60 0.00 0.00 54.58 54.33 2ayx n ASN 880 Cb 0.31 -4.32 0.00 0.00 -0.53 0.00 0.00 39.78 35.24 2ayx n ASN 880 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 2ayx n MET 881 N -2.62 0.00 -3.65 1.20 1.56 -1.26 -5.15 117.12 107.20 2ayx n MET 881 Ca -0.20 0.00 -0.15 0.00 -0.27 0.00 0.00 57.70 57.08 2ayx n MET 881 Cb 0.63 0.00 -0.07 0.00 2.15 0.00 0.00 33.22 35.93 2ayx n MET 881 CO 0.00 0.00 0.00 0.16 -0.73 0.00 0.00 175.97 175.40 2ayx s ASP 882 N 1.46 -0.39 -0.32 6.12 1.47 -1.26 -5.06 116.67 118.69 2ayx s ASP 882 Ca 0.00 0.30 0.08 0.00 1.18 0.00 0.00 52.55 54.11 2ayx s ASP 882 Cb 0.00 0.42 0.45 0.00 -0.34 0.00 0.00 42.92 43.45 2ayx s ASP 882 CO 0.00 -0.55 1.16 0.61 0.68 0.00 0.00 175.17 177.07 2ayx n GLY 883 N 0.98 5.85 0.49 2.12 0.00 -1.26 -4.73 105.19 108.64 2ayx n GLY 883 Ca -0.20 -2.54 0.00 0.00 0.00 0.00 0.00 46.02 43.28 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 -0.63 0.00 -0.29 1.61 9.36 -1.26 -4.64 117.16 121.31 2ayx n TYR 884 Ca 0.39 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.62 2ayx n TYR 884 Cb 0.88 0.03 0.20 0.00 -0.63 0.00 0.00 39.34 39.82 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 1.10 -0.08 2.98 1.12 -1.99 -1.17 114.38 116.33 2ayx h ARG 885 Ca 0.00 -0.07 -0.01 0.00 -1.11 0.00 0.00 59.98 58.80 2ayx h ARG 885 Cb 0.87 -0.25 -0.00 0.00 -0.01 0.00 0.00 29.97 30.57 2ayx h ARG 885 CO 0.00 0.73 0.02 1.25 -3.11 0.00 0.00 179.97 178.86 2ayx h LEU 886 N 1.13 0.12 -0.58 3.80 5.85 -1.88 -0.67 115.31 123.09 2ayx h LEU 886 Ca 0.33 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 2ayx h LEU 886 Cb -0.06 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 2ayx h LEU 886 CO -0.08 0.31 0.21 0.74 -0.34 0.00 0.00 178.44 179.27 2ayx h THR 887 N -0.07 1.23 -0.14 1.05 2.02 -1.74 -1.31 112.91 113.95 2ayx h THR 887 Ca 0.03 -0.74 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 2ayx h THR 887 Cb 0.23 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2ayx h THR 887 CO -0.00 0.28 0.08 -0.61 0.37 0.00 0.00 175.52 175.64 2ayx h GLN 888 N 0.80 0.19 -0.66 6.66 5.75 -1.15 -2.78 115.11 123.92 2ayx h GLN 888 Ca 0.19 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.63 2ayx h GLN 888 Cb 0.23 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.71 2ayx h GLN 888 CO -0.01 0.18 0.27 0.00 -2.65 0.00 0.00 178.83 176.62 2ayx h ARG 889 N 0.14 0.98 0.21 1.69 2.47 -0.89 -0.31 114.38 118.67 2ayx h ARG 889 Ca 0.05 -0.18 -0.00 0.00 -1.26 0.00 0.00 59.98 58.59 2ayx h ARG 889 Cb 0.05 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.20 2ayx h ARG 889 CO -0.01 0.82 -0.15 0.82 0.56 0.00 0.00 179.97 182.01 2ayx h ILE 890 N 0.93 0.68 0.00 2.04 1.08 -1.16 -2.04 117.51 119.03 2ayx h ILE 890 Ca 0.22 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.66 2ayx h ILE 890 Cb 0.20 0.68 -0.00 0.00 -3.07 0.00 0.00 36.82 34.62 2ayx h ILE 890 CO -0.02 0.00 -0.16 0.08 -0.69 0.00 0.00 178.15 177.36 2ayx h ARG 891 N -0.36 0.00 -0.25 2.37 0.11 -1.41 -2.43 114.38 112.40 2ayx h ARG 891 Ca -0.01 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.02 2ayx h ARG 891 Cb 0.32 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.39 2ayx h ARG 891 CO 0.00 0.16 -0.00 1.96 0.10 0.00 0.00 179.97 182.18 2ayx h GLN 892 N 0.00 0.45 -0.32 0.08 4.20 -0.57 -3.17 115.11 115.78 2ayx h GLN 892 Ca -0.00 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.48 2ayx h GLN 892 Cb 0.69 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 2ayx h GLN 892 CO 0.02 0.62 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.63 2ayx h LEU 893 N 0.22 0.65 0.00 1.46 -0.00 -1.25 -3.48 115.31 112.91 2ayx h LEU 893 Ca 0.07 -0.38 0.00 0.00 -0.00 0.00 0.00 57.88 57.57 2ayx h LEU 893 Cb 0.42 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 40.91 2ayx h LEU 893 CO 0.01 0.88 0.00 0.61 -0.00 0.00 0.00 178.44 179.95 2ayx n GLY 894 N -0.12 0.81 3.66 0.83 0.00 -0.93 -5.08 105.19 104.37 2ayx n GLY 894 Ca -0.03 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 2ayx n GLY 894 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2ayx s LEU 895 N 0.00 4.27 0.00 0.99 2.34 -1.21 -4.86 118.68 120.21 2ayx s LEU 895 Ca 0.00 2.03 0.07 0.00 0.06 0.00 0.00 54.13 56.29 2ayx s LEU 895 Cb 0.00 -3.54 0.18 0.00 -0.56 0.00 0.00 46.19 42.27 2ayx s LEU 895 CO 0.00 -0.84 1.12 0.35 -1.06 0.00 0.00 176.35 175.91 2ayx n THR 896 N 5.34 0.89 -4.54 5.48 -2.24 -1.26 -4.99 114.28 112.95 2ayx n THR 896 Ca 0.16 -0.94 -0.22 0.00 -2.27 0.00 0.00 64.05 60.78 2ayx n THR 896 Cb 0.44 0.57 -0.15 0.00 -2.10 0.00 0.00 70.33 69.09 2ayx n THR 896 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2ayx s LEU 897 N -0.95 1.92 0.02 3.22 2.34 -1.26 -5.10 118.68 118.87 2ayx s LEU 897 Ca 0.14 -0.23 -0.31 0.00 0.06 0.00 0.00 54.13 53.79 2ayx s LEU 897 Cb 0.08 -0.66 -0.10 0.00 -0.56 0.00 0.00 46.19 44.95 2ayx s LEU 897 CO 0.10 0.12 1.95 -2.65 -1.06 0.00 0.00 176.35 174.81 2ayx n PRO 898 N 3.01 2.74 -3.47 1.48 -0.02 -1.26 -4.78 135.00 132.70 2ayx n PRO 898 Ca -0.16 1.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.95 2ayx n PRO 898 Cb 0.55 -2.94 -0.07 0.00 -0.02 0.00 0.00 33.50 31.02 2ayx n PRO 898 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ayx s VAL 899 N 4.28 5.26 -0.35 -1.45 1.01 -1.04 -2.62 120.40 125.49 2ayx s VAL 899 Ca 0.89 0.62 -0.08 0.00 0.00 0.00 0.00 61.98 63.41 2ayx s VAL 899 Cb -0.49 -3.68 0.04 0.00 0.00 0.00 0.00 36.38 32.25 2ayx s VAL 899 CO 0.44 0.32 0.14 -0.63 0.00 0.00 0.00 175.10 175.37 2ayx s ILE 900 N 0.87 4.03 -0.67 2.22 1.01 0.05 -1.10 121.20 127.61 2ayx s ILE 900 Ca 0.18 -1.08 -0.19 0.00 0.00 0.00 0.00 60.65 59.55 2ayx s ILE 900 Cb -0.14 -3.29 0.11 0.00 0.01 0.00 0.00 42.46 39.15 2ayx s ILE 900 CO 0.06 -0.22 0.83 -0.83 0.00 0.00 0.00 174.94 174.78 2ayx s GLY 901 N 1.49 1.77 -0.27 6.18 0.00 0.13 -0.96 107.32 115.67 2ayx s GLY 901 Ca -0.00 -2.31 -0.16 0.00 0.00 0.00 0.00 44.72 42.25 2ayx s GLY 901 CO 0.04 1.72 0.44 0.54 0.00 0.00 0.00 173.10 175.85 2ayx s VAL 902 N 2.80 5.12 0.15 1.40 0.11 -0.03 -0.91 120.40 129.04 2ayx s VAL 902 Ca 0.17 0.70 0.08 0.00 -2.93 0.00 0.00 61.98 60.01 2ayx s VAL 902 Cb -0.19 -3.77 -0.04 0.00 -1.53 0.00 0.00 36.38 30.85 2ayx s VAL 902 CO 0.04 0.11 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.85 2ayx s THR 903 N 2.19 1.74 -0.61 5.04 2.01 -0.03 -0.95 115.64 125.03 2ayx s THR 903 Ca 0.18 -1.86 -0.23 0.00 0.31 0.00 0.00 61.69 60.10 2ayx s THR 903 Cb -0.16 -1.77 0.06 0.00 0.01 0.00 0.00 72.50 70.64 2ayx s THR 903 CO 0.10 -0.31 0.92 0.00 -0.69 0.00 0.00 174.62 174.64 2ayx s ALA 904 N -1.99 3.16 -0.92 7.40 0.00 -0.95 -0.78 121.76 127.68 2ayx s ALA 904 Ca 0.14 -1.63 -0.09 0.00 0.00 0.00 0.00 51.96 50.38 2ayx s ALA 904 Cb -0.06 -3.76 0.01 0.00 0.00 0.00 0.00 23.12 19.31 2ayx s ALA 904 CO 0.06 -2.56 0.62 -1.71 0.00 0.00 0.00 175.76 172.18 2ayx n ASN 905 N 7.44 -4.71 0.03 0.00 5.15 -1.26 -4.89 115.26 117.03 2ayx n ASN 905 Ca -0.02 -1.04 -0.11 0.00 -0.60 0.00 0.00 54.58 52.80 2ayx n ASN 905 Cb 0.46 -1.71 -0.08 0.00 -0.53 0.00 0.00 39.78 37.92 2ayx n ASN 905 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ayx h ALA 906 N 1.36 -0.16 0.00 5.20 0.00 -1.93 -3.48 119.26 120.24 2ayx h ALA 906 Ca -0.65 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.01 2ayx h ALA 906 Cb 1.40 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2ayx h ALA 906 CO 0.40 -0.27 0.00 -0.11 0.00 0.00 0.00 179.25 179.27 2ayx n LEU 907 N -4.89 0.00 -2.98 0.00 0.00 -1.26 -5.04 117.00 102.84 2ayx n LEU 907 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 55.93 2ayx n LEU 907 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.70 2ayx n LEU 907 CO 0.27 0.00 0.19 0.00 0.00 0.00 0.00 177.39 177.85 2ayx s ALA 908 N 0.00 -2.82 0.37 1.96 0.00 -1.26 -5.03 121.76 114.98 2ayx s ALA 908 Ca 0.00 0.26 0.09 0.00 0.00 0.00 0.00 51.96 52.31 2ayx s ALA 908 Cb 0.00 -2.80 0.83 0.00 0.00 0.00 0.00 23.12 21.15 2ayx s ALA 908 CO 0.00 -2.30 1.90 0.93 0.00 0.00 0.00 175.76 176.30 2ayx h GLU 909 N 6.00 0.65 -0.45 0.00 3.07 -1.96 0.40 114.58 122.29 2ayx h GLU 909 Ca 0.03 -0.04 -0.13 0.00 -0.50 0.00 0.00 59.36 58.72 2ayx h GLU 909 Cb 1.17 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.92 2ayx h GLU 909 CO 0.03 0.43 -0.23 1.05 -1.40 0.00 0.00 179.01 178.89 2ayx h GLU 910 N 0.67 0.95 -0.16 2.33 9.09 -1.96 -1.76 114.58 123.75 2ayx h GLU 910 Ca 0.40 -0.42 -0.15 0.00 0.05 0.00 0.00 59.36 59.23 2ayx h GLU 910 Cb 0.60 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.67 2ayx h GLU 910 CO -0.16 1.09 -0.54 -0.22 0.05 0.00 0.00 179.01 179.23 2ayx h LYS 911 N 0.79 0.46 -0.20 1.06 3.64 -1.63 -1.91 116.57 118.79 2ayx h LYS 911 Ca 0.10 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2ayx h LYS 911 Cb 0.81 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 2ayx h LYS 911 CO 0.07 0.88 0.13 0.37 -2.27 0.00 0.00 179.45 178.63 2ayx h GLN 912 N 0.36 0.26 -0.50 1.90 5.75 -0.85 -0.37 115.11 121.66 2ayx h GLN 912 Ca 0.01 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.50 2ayx h GLN 912 Cb 1.06 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.53 2ayx h GLN 912 CO 0.10 0.17 0.33 -0.09 -2.65 0.00 0.00 178.83 176.69 2ayx h ARG 913 N 0.27 0.63 -0.13 1.69 1.12 -1.06 -0.03 114.38 116.87 2ayx h ARG 913 Ca 0.07 -0.04 -0.14 0.00 -1.11 0.00 0.00 59.98 58.77 2ayx h ARG 913 Cb -0.03 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 29.78 2ayx h ARG 913 CO -0.02 0.42 -0.52 0.00 -3.11 0.00 0.00 179.97 176.74 2ayx h LEU 915 N 0.28 -0.14 0.05 0.00 5.85 0.49 -3.37 115.31 118.48 2ayx h LEU 915 Ca 0.01 -0.41 -0.10 0.00 0.84 0.00 0.00 57.88 58.22 2ayx h LEU 915 Cb 1.00 0.04 0.01 0.00 0.37 0.00 0.00 40.66 42.08 2ayx h LEU 915 CO 0.09 0.40 -0.42 1.05 -0.34 0.00 0.00 178.44 179.22 2ayx h GLU 916 N -0.75 0.20 -6.39 1.25 -0.00 -1.16 -3.48 114.58 104.26 2ayx h GLU 916 Ca -0.02 -0.28 -0.48 0.00 -0.00 0.00 0.00 59.36 58.58 2ayx h GLU 916 Cb 0.54 0.09 -0.06 0.00 -0.00 0.00 0.00 28.75 29.33 2ayx h GLU 916 CO 0.03 1.07 -0.81 0.43 -0.00 0.00 0.00 179.01 179.72 2ayx n SER 917 N -4.37 -2.94 0.00 3.06 7.64 -0.14 -4.87 113.62 112.00 2ayx n SER 917 Ca -0.11 -0.88 0.00 0.00 1.01 0.00 0.00 58.87 58.89 2ayx n SER 917 Cb 0.63 -3.54 0.00 0.00 -1.01 0.00 0.00 64.21 60.29 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 -1.67 0.00 0.00 0.23 0.00 -1.26 -4.94 105.19 97.55 2ayx n GLY 918 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.76 117.12 113.58 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 0.43 -0.17 0.00 0.00 -0.71 0.00 0.00 33.22 32.77 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 -4.55 7.83 -0.08 -0.82 -2.48 116.55 116.44 2ayx n ASP 920 Ca 0.00 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.98 2ayx n ASP 920 Cb 0.00 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.36 2ayx n ASP 920 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2ayx s SER 921 N 0.00 4.27 -0.00 1.67 0.01 -0.26 -5.02 113.70 114.37 2ayx s SER 921 Ca 0.00 -0.39 0.07 0.00 1.31 0.00 0.00 55.95 56.93 2ayx s SER 921 Cb 0.00 -0.79 -0.03 0.00 0.21 0.00 0.00 66.02 65.42 2ayx s SER 921 CO 0.00 0.20 -0.20 0.00 0.41 0.00 0.00 173.24 173.64 2ayx s LEU 923 N -0.95 0.71 0.12 0.00 2.96 -0.08 -4.88 118.68 116.55 2ayx s LEU 923 Ca 0.12 -0.95 0.09 0.00 -0.22 0.00 0.00 54.13 53.17 2ayx s LEU 923 Cb -0.10 1.33 -0.04 0.00 0.50 0.00 0.00 46.19 47.88 2ayx s LEU 923 CO 0.02 -0.98 -0.17 -0.44 -1.32 0.00 0.00 176.35 173.45 2ayx s SER 924 N -3.01 3.95 0.25 3.68 0.01 -1.26 -0.85 113.70 116.47 2ayx s SER 924 Ca 0.22 -0.54 -0.03 0.00 1.31 0.00 0.00 55.95 56.91 2ayx s SER 924 Cb 0.02 -0.58 0.49 0.00 0.21 0.00 0.00 66.02 66.16 2ayx s SER 924 CO 0.05 0.18 1.74 0.50 0.41 0.00 0.00 173.24 176.12 2ayx h LYS 925 N 3.72 0.49 -3.87 12.44 3.64 -1.22 -3.13 116.57 128.63 2ayx h LYS 925 Ca -0.50 -0.03 -0.41 0.00 -1.27 0.00 0.00 60.65 58.44 2ayx h LYS 925 Cb 1.17 -0.11 0.03 0.00 -0.41 0.00 0.00 32.23 32.91 2ayx h LYS 925 CO 0.47 0.32 2.25 -0.35 -2.27 0.00 0.00 179.45 179.87 2ayx n PRO 926 N -4.96 1.55 -3.52 1.90 -0.04 -1.26 -4.89 135.00 123.78 2ayx n PRO 926 Ca 0.15 -1.41 -0.33 0.00 -0.04 0.00 0.00 63.50 61.87 2ayx n PRO 926 Cb 0.43 -2.52 -0.05 0.00 -0.04 0.00 0.00 33.50 31.31 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 4.23 5.03 0.38 0.52 0.11 -1.18 -5.10 120.40 124.38 2ayx s VAL 927 Ca 0.40 0.44 0.07 0.00 -2.93 0.00 0.00 61.98 59.97 2ayx s VAL 927 Cb 0.10 -3.65 -0.01 0.00 -1.53 0.00 0.00 36.38 31.29 2ayx s VAL 927 CO 0.03 0.15 0.42 0.42 -3.33 0.00 0.00 175.10 172.79 2ayx s THR 928 N -1.56 3.30 0.31 5.04 -4.23 -1.26 -4.98 115.64 112.26 2ayx s THR 928 Ca 0.39 -1.19 0.01 0.00 -1.18 0.00 0.00 61.69 59.72 2ayx s THR 928 Cb -0.13 -3.14 0.16 0.00 1.34 0.00 0.00 72.50 70.72 2ayx s THR 928 CO 0.20 -0.08 1.85 0.25 -0.54 0.00 0.00 174.62 176.30 2ayx h LEU 929 N 0.97 0.64 -0.19 4.79 7.12 -1.99 -0.41 115.31 126.24 2ayx h LEU 929 Ca -0.43 -0.12 -0.02 0.00 0.13 0.00 0.00 57.88 57.45 2ayx h LEU 929 Cb 1.26 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 41.22 2ayx h LEU 929 CO 0.54 0.67 0.05 0.44 -0.13 0.00 0.00 178.44 180.01 2ayx h ASP 930 N 0.66 0.28 -0.27 1.25 3.32 -1.99 -0.11 116.42 119.56 2ayx h ASP 930 Ca 0.14 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 56.92 2ayx h ASP 930 Cb 0.31 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2ayx h ASP 930 CO 0.00 0.42 -0.07 0.58 -1.72 0.00 0.00 179.24 178.46 2ayx h VAL 931 N 0.12 1.28 -0.53 -1.35 2.07 -1.91 -1.32 116.25 114.61 2ayx h VAL 931 Ca 0.06 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 2ayx h VAL 931 Cb 0.25 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 2ayx h VAL 931 CO -0.00 0.35 0.21 -0.29 0.02 0.00 0.00 177.57 177.85 2ayx h ILE 932 N 0.28 1.20 -0.10 4.57 -0.00 -1.01 -0.00 117.51 122.44 2ayx h ILE 932 Ca 0.07 -0.62 -0.03 0.00 -0.00 0.00 0.00 64.86 64.28 2ayx h ILE 932 Cb 0.55 0.57 -0.00 0.00 -0.00 0.00 0.00 36.82 37.94 2ayx h ILE 932 CO 0.03 0.24 -0.05 0.50 -0.00 0.00 0.00 178.15 178.87 2ayx h LYS 933 N 0.75 0.21 -0.71 2.19 3.64 -0.86 -1.12 116.57 120.68 2ayx h LYS 933 Ca 0.18 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2ayx h LYS 933 Cb 0.16 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 2ayx h LYS 933 CO -0.02 0.56 0.47 0.37 -2.27 0.00 0.00 179.45 178.56 2ayx h GLN 934 N -0.14 0.92 0.01 1.90 5.75 -0.92 -0.01 115.11 122.62 2ayx h GLN 934 Ca 0.02 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 2ayx h GLN 934 Cb 0.50 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 28.84 2ayx h GLN 934 CO 0.01 0.61 -0.00 1.15 -2.65 0.00 0.00 178.83 177.95 2ayx h THR 935 N 0.95 1.21 -0.45 2.39 2.02 -0.95 -1.11 112.91 116.96 2ayx h THR 935 Ca 0.26 -0.64 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 2ayx h THR 935 Cb -0.10 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 2ayx h THR 935 CO -0.06 0.16 0.17 0.25 0.37 0.00 0.00 175.52 176.42 2ayx h LEU 936 N -0.28 0.62 -0.55 2.58 5.85 -1.06 -0.33 115.31 122.14 2ayx h LEU 936 Ca -0.00 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 2ayx h LEU 936 Cb 0.28 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 2ayx h LEU 936 CO 0.00 0.63 0.24 0.74 -0.34 0.00 0.00 178.44 179.70 2ayx h THR 937 N 0.58 1.21 -0.03 1.05 2.02 -0.98 0.37 112.91 117.13 2ayx h THR 937 Ca 0.15 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 2ayx h THR 937 Cb 0.20 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 2ayx h THR 937 CO -0.01 0.25 -0.01 0.25 0.37 0.00 0.00 175.52 176.37 2ayx h LEU 938 N 0.75 0.07 -1.02 2.58 7.12 -1.03 -2.52 115.31 121.25 2ayx h LEU 938 Ca 0.18 -0.36 -0.08 0.00 0.13 0.00 0.00 57.88 57.75 2ayx h LEU 938 Cb 0.17 -0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 40.27 2ayx h LEU 938 CO -0.02 0.42 -0.17 1.88 -0.13 0.00 0.00 178.44 180.42 2ayx h TYR 939 N -0.28 0.55 -0.36 1.25 -1.99 -0.99 -1.15 116.97 114.00 2ayx h TYR 939 Ca 0.01 -0.10 -0.02 0.00 2.00 0.00 0.00 58.73 60.62 2ayx h TYR 939 Cb 0.39 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 38.96 2ayx h TYR 939 CO 0.05 0.65 0.15 0.00 -0.00 0.00 0.00 178.16 179.01 2ayx h ALA 940 N 1.37 0.47 -0.21 3.88 0.00 -0.90 -1.57 119.26 122.29 2ayx h ALA 940 Ca 0.08 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2ayx h ALA 940 Cb 0.56 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2ayx h ALA 940 CO 0.04 0.06 -0.30 1.05 0.00 0.00 0.00 179.25 180.10 2ayx h GLU 941 N 0.44 0.42 -0.19 0.00 4.11 -1.18 -1.35 114.58 116.83 2ayx h GLU 941 Ca 0.12 -0.17 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 2ayx h GLU 941 Cb 0.18 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2ayx h GLU 941 CO -0.01 0.68 0.06 -0.09 0.07 0.00 0.00 179.01 179.72 2ayx h ARG 942 N 0.37 0.29 0.00 1.06 9.65 -0.85 -0.97 114.38 123.93 2ayx h ARG 942 Ca 0.05 -0.06 -0.14 0.00 -1.10 0.00 0.00 59.98 58.73 2ayx h ARG 942 Cb 0.72 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.24 2ayx h ARG 942 CO 0.05 0.39 -0.65 -0.39 2.80 0.00 0.00 179.97 182.18 2ayx h VAL 943 N 0.13 1.46 -0.69 0.20 -1.51 -1.24 -2.46 116.25 112.13 2ayx h VAL 943 Ca 0.06 -2.23 -0.07 0.00 -1.23 0.00 0.00 66.70 63.24 2ayx h VAL 943 Cb 0.22 2.20 -0.03 0.00 -2.13 0.00 0.00 31.29 31.56 2ayx h VAL 943 CO -0.00 0.63 0.18 0.03 -1.23 0.00 0.00 177.57 177.18 2ayx h ARG 944 N 0.00 1.10 0.00 5.19 3.08 -0.96 -1.32 114.38 121.47 2ayx h ARG 944 Ca -0.01 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.77 2ayx h ARG 944 Cb 1.15 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 31.05 2ayx h ARG 944 CO 0.08 0.97 -0.08 1.57 -1.07 0.00 0.00 179.97 181.45 2ayx h LYS 945 N 1.03 0.00 -0.01 0.04 2.10 -1.08 0.57 116.57 119.22 2ayx h LYS 945 Ca 0.22 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.73 2ayx h LYS 945 Cb 0.36 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.67 2ayx h LYS 945 CO 0.00 0.08 -0.65 0.77 -2.00 0.00 0.00 179.45 177.65 2ayx h SER 946 N 0.00 0.04 1.54 7.07 0.02 -1.14 -2.66 113.55 118.42 2ayx h SER 946 Ca -0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2ayx h SER 946 Cb 1.04 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2ayx h SER 946 CO 0.01 0.68 -0.22 -0.09 -1.14 0.00 0.00 176.83 176.06 2ayx h ARG 947 N 0.02 0.00 -4.00 3.45 2.43 -0.93 -3.49 114.38 111.86 2ayx h ARG 947 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2ayx h ARG 947 Cb 1.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2ayx h ARG 947 CO 0.09 0.00 -0.16 -3.47 -1.51 0.00 0.00 179.97 174.92 2ayx n ASP 948 N -2.63 -4.58 0.00 -3.80 2.03 0.10 -5.08 116.55 102.59 2ayx n ASP 948 Ca 0.04 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.51 2ayx n ASP 948 Cb 0.49 -2.91 0.00 0.00 -0.72 0.00 0.00 41.12 37.98 2ayx n ASP 948 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08