#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ayx n GLY 697 N 0.00 1.84 0.00 3.03 0.00 -1.26 -4.84 105.19 103.96 2ayx n GLY 697 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 1.01 3.75 -0.02 0.00 -1.26 -5.09 105.19 103.59 2ayx n GLY 698 Ca 0.00 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 2ayx n GLY 698 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ayx s SER 699 N -0.75 7.12 0.00 1.61 0.01 -1.26 -5.01 113.70 115.42 2ayx s SER 699 Ca 0.00 2.34 0.00 0.00 1.31 0.00 0.00 55.95 59.60 2ayx s SER 699 Cb 0.00 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2ayx s SER 699 CO 0.00 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 173.98 2ayx n GLY 700 N 1.39 1.04 3.62 3.44 0.00 -1.26 -5.01 105.19 108.41 2ayx n GLY 700 Ca 0.01 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.04 -5.52 0.80 1.61 0.31 -1.26 -4.88 118.33 109.34 2ayx n VAL 701 Ca 0.00 -0.72 0.13 0.00 -0.01 0.00 0.00 64.34 63.74 2ayx n VAL 701 Cb 0.00 -4.35 0.41 0.00 -0.91 0.00 0.00 33.84 28.99 2ayx n VAL 701 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2ayx n GLU 702 N -4.09 0.14 0.00 5.55 1.02 -1.26 -4.87 120.64 117.13 2ayx n GLU 702 Ca -0.22 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 2ayx n GLU 702 Cb 0.65 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 2ayx n GLU 702 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ayx n GLY 703 N 1.41 0.99 3.15 0.62 0.00 -1.26 -5.14 105.19 104.96 2ayx n GLY 703 Ca 0.06 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.94 0.99 4.77 -1.26 -4.64 117.00 113.92 2ayx n LEU 704 Ca 0.00 -2.18 -0.22 0.00 -0.03 0.00 0.00 56.01 53.57 2ayx n LEU 704 Cb 0.00 -0.20 0.03 0.00 -2.33 0.00 0.00 43.42 40.92 2ayx n LEU 704 CO 0.00 -0.61 -0.04 -1.20 -1.33 0.00 0.00 177.39 174.22 2ayx n SER 705 N -2.18 -6.16 -0.16 -1.43 7.64 -1.13 -4.61 113.62 105.59 2ayx n SER 705 Ca 0.06 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.69 2ayx n SER 705 Cb 0.50 -4.99 0.00 0.00 -1.01 0.00 0.00 64.21 58.71 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 -1.47 0.33 3.32 0.23 0.00 -1.26 -4.87 105.19 101.49 2ayx n GLY 706 Ca -0.13 0.00 -0.28 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 1.60 0.28 1.61 -0.14 -1.26 -5.05 119.74 116.77 2ayx s LYS 707 Ca 0.00 -1.11 0.06 0.00 -1.36 0.00 0.00 55.97 53.57 2ayx s LYS 707 Cb 0.00 -1.82 -0.03 0.00 -1.68 0.00 0.00 37.83 34.31 2ayx s LYS 707 CO 0.00 0.46 0.34 1.03 -0.76 0.00 0.00 175.35 176.42 2ayx s ARG 708 N -1.38 3.16 -0.18 1.68 0.52 -1.26 -1.60 118.95 119.89 2ayx s ARG 708 Ca 0.11 -0.95 -0.03 0.00 -0.52 0.00 0.00 55.73 54.33 2ayx s ARG 708 Cb -0.10 -2.75 0.06 0.00 0.52 0.00 0.00 34.95 32.68 2ayx s ARG 708 CO 0.03 0.30 0.05 0.00 0.02 0.00 0.00 175.30 175.69 2ayx s TRP 710 N 1.92 2.88 -0.26 0.00 0.52 -0.36 -0.77 118.94 122.87 2ayx s TRP 710 Ca -0.00 -0.43 -0.10 0.00 0.02 0.00 0.00 56.10 55.60 2ayx s TRP 710 Cb -0.17 -3.92 -0.04 0.00 -1.15 0.00 0.00 33.47 28.19 2ayx s TRP 710 CO -0.08 -1.29 0.14 -0.48 0.02 0.00 0.00 176.95 175.26 2ayx s LEU 711 N 3.35 3.81 -0.65 2.99 2.34 -0.62 -0.52 118.68 129.39 2ayx s LEU 711 Ca 0.21 -0.07 -0.00 0.00 0.06 0.00 0.00 54.13 54.32 2ayx s LEU 711 Cb -0.17 -2.04 0.42 0.00 -0.56 0.00 0.00 46.19 43.84 2ayx s LEU 711 CO 0.13 -0.03 1.85 0.00 -1.06 0.00 0.00 176.35 177.24 2ayx n ALA 712 N 4.94 6.12 -2.73 1.48 0.00 0.46 -1.03 120.51 129.75 2ayx n ALA 712 Ca -0.15 -3.76 -0.36 0.00 0.00 0.00 0.00 53.44 49.17 2ayx n ALA 712 Cb 0.52 -1.54 -0.10 0.00 0.00 0.00 0.00 19.45 18.32 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 -4.92 5.12 -1.70 0.00 1.01 -1.26 -2.15 120.40 116.51 2ayx s VAL 713 Ca 0.58 0.10 0.14 0.00 0.00 0.00 0.00 61.98 62.80 2ayx s VAL 713 Cb 0.47 -3.39 0.13 0.00 0.00 0.00 0.00 36.38 33.59 2ayx s VAL 713 CO -0.13 0.34 0.96 0.54 0.00 0.00 0.00 175.10 176.82 2ayx n ARG 714 N 4.40 1.04 -2.70 2.72 1.74 -1.26 -4.77 116.66 117.82 2ayx n ARG 714 Ca -0.15 -1.38 -0.43 0.00 -0.77 0.00 0.00 57.85 55.12 2ayx n ARG 714 Cb 0.52 -1.27 -0.03 0.00 -1.02 0.00 0.00 32.46 30.66 2ayx n ARG 714 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2ayx s ASN 715 N -1.15 6.62 0.11 0.55 0.01 -1.26 -4.95 114.94 114.87 2ayx s ASN 715 Ca 0.17 0.42 -0.28 0.00 -0.71 0.00 0.00 52.86 52.46 2ayx s ASN 715 Cb 0.12 -2.51 -0.08 0.00 0.41 0.00 0.00 41.25 39.19 2ayx s ASN 715 CO 0.17 -1.11 1.63 0.00 -1.51 0.00 0.00 177.10 176.28 2ayx h ALA 716 N 9.00 -0.48 -0.69 0.60 0.00 -1.98 0.57 119.26 126.28 2ayx h ALA 716 Ca -0.23 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2ayx h ALA 716 Cb 1.07 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 2ayx h ALA 716 CO 1.07 -0.83 0.43 0.77 0.00 0.00 0.00 179.25 180.69 2ayx h SER 717 N -0.50 0.80 -0.00 0.00 0.02 -1.96 0.14 113.55 112.06 2ayx h SER 717 Ca 0.04 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2ayx h SER 717 Cb 0.54 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2ayx h SER 717 CO -0.19 0.60 -0.02 0.25 -1.14 0.00 0.00 176.83 176.34 2ayx h LEU 718 N 0.94 0.02 -0.31 5.07 6.46 -1.60 -2.68 115.31 123.21 2ayx h LEU 718 Ca 0.25 -0.70 -0.07 0.00 -0.12 0.00 0.00 57.88 57.24 2ayx h LEU 718 Cb -0.07 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 39.85 2ayx h LEU 718 CO -0.05 0.71 -0.10 0.00 -0.62 0.00 0.00 178.44 178.39 2ayx h GLN 720 N 0.37 0.81 0.50 0.00 4.15 -1.08 0.14 115.11 119.99 2ayx h GLN 720 Ca 0.08 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 2ayx h GLN 720 Cb 0.60 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 28.12 2ayx h GLN 720 CO 0.03 0.62 -0.30 0.35 -1.93 0.00 0.00 178.83 177.60 2ayx h PHE 721 N 0.78 -0.80 -0.41 3.99 3.04 -1.39 -1.48 116.94 120.67 2ayx h PHE 721 Ca 0.20 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.12 2ayx h PHE 721 Cb 0.05 0.28 -0.02 0.00 2.56 0.00 0.00 35.95 38.82 2ayx h PHE 721 CO -0.01 -0.47 0.16 -0.07 -2.02 0.00 0.00 178.31 175.90 2ayx h LEU 722 N -0.76 0.58 -0.17 0.59 -0.00 -1.37 -2.60 115.31 111.57 2ayx h LEU 722 Ca -0.06 -0.17 -0.00 0.00 -0.00 0.00 0.00 57.88 57.65 2ayx h LEU 722 Cb 0.62 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 41.12 2ayx h LEU 722 CO 0.06 0.59 0.10 -0.08 -0.00 0.00 0.00 178.44 179.12 2ayx h GLU 723 N 0.52 0.23 -0.55 1.13 4.81 -0.90 -0.61 114.58 119.21 2ayx h GLU 723 Ca 0.14 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 2ayx h GLU 723 Cb 0.20 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 2ayx h GLU 723 CO -0.01 0.18 0.15 1.15 -0.73 0.00 0.00 179.01 179.76 2ayx h THR 724 N 0.20 1.22 -0.26 0.32 2.02 -1.22 -0.33 112.91 114.86 2ayx h THR 724 Ca 0.06 -0.78 -0.15 0.00 0.77 0.00 0.00 66.41 66.31 2ayx h THR 724 Cb 0.01 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 2ayx h THR 724 CO -0.01 0.29 -0.44 0.28 0.37 0.00 0.00 175.52 176.01 2ayx h SER 725 N 0.81 0.72 -0.03 4.18 0.02 -1.11 -2.77 113.55 115.36 2ayx h SER 725 Ca 0.18 -0.34 -0.15 0.00 -0.84 0.00 0.00 61.79 60.64 2ayx h SER 725 Cb 0.27 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 62.61 2ayx h SER 725 CO -0.01 1.06 -0.59 -0.07 -1.14 0.00 0.00 176.83 176.09 2ayx h LEU 726 N 0.54 0.56 -0.10 5.07 3.38 -0.63 -3.06 115.31 121.07 2ayx h LEU 726 Ca 0.04 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.28 2ayx h LEU 726 Cb 0.98 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2ayx h LEU 726 CO 0.09 1.21 0.00 0.00 0.09 0.00 0.00 178.44 179.83 2ayx n GLN 727 N -4.21 0.03 0.07 1.13 10.64 -0.18 -1.78 117.38 123.08 2ayx n GLN 727 Ca -0.10 0.30 -0.02 0.00 -1.83 0.00 0.00 57.00 55.35 2ayx n GLN 727 Cb 0.66 -1.55 0.24 0.00 -0.86 0.00 0.00 30.24 28.72 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 0.31 -0.30 2.61 3.08 -1.37 -2.95 114.38 115.76 2ayx h ARG 728 Ca 0.00 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.92 2ayx h ARG 728 Cb 0.24 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2ayx h ARG 728 CO 0.00 0.61 0.00 0.43 -1.07 0.00 0.00 179.97 179.94 2ayx n SER 729 N -4.09 2.39 0.00 7.04 7.64 -0.73 -4.89 113.62 120.98 2ayx n SER 729 Ca -0.01 -1.86 0.00 0.00 1.01 0.00 0.00 58.87 58.00 2ayx n SER 729 Cb 0.43 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 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 1.27 0.64 3.71 0.23 0.00 -1.11 -4.26 105.19 105.66 2ayx n GLY 730 Ca 0.17 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.00 5.04 -0.61 -0.61 -1.09 -1.13 -2.86 121.20 117.95 2ayx s ILE 731 Ca 0.00 1.44 -0.25 0.00 -2.23 0.00 0.00 60.65 59.60 2ayx s ILE 731 Cb 0.00 -4.04 0.04 0.00 -1.58 0.00 0.00 42.46 36.88 2ayx s ILE 731 CO 0.00 0.24 1.07 0.54 -1.23 0.00 0.00 174.94 175.55 2ayx s VAL 732 N 0.91 4.17 -0.34 2.92 0.11 -0.63 -3.50 120.40 124.04 2ayx s VAL 732 Ca 0.37 0.35 -0.28 0.00 -2.93 0.00 0.00 61.98 59.49 2ayx s VAL 732 Cb -0.18 -4.67 0.02 0.00 -1.53 0.00 0.00 36.38 30.02 2ayx s VAL 732 CO 0.17 -1.35 1.06 0.68 -3.33 0.00 0.00 175.10 172.33 2ayx s VAL 733 N 4.52 4.49 -0.08 2.04 -7.23 -1.26 -1.20 120.40 121.68 2ayx s VAL 733 Ca 0.33 1.59 0.04 0.00 -1.81 0.00 0.00 61.98 62.13 2ayx s VAL 733 Cb -0.11 -4.42 0.00 0.00 0.56 0.00 0.00 36.38 32.41 2ayx s VAL 733 CO 0.19 -0.55 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.34 2ayx s THR 734 N 3.71 1.75 0.00 5.32 2.01 0.05 -4.94 115.64 123.55 2ayx s THR 734 Ca 0.44 -0.85 -0.30 0.00 0.31 0.00 0.00 61.69 61.29 2ayx s THR 734 Cb -0.12 -1.52 -0.07 0.00 0.01 0.00 0.00 72.50 70.80 2ayx s THR 734 CO 0.18 0.49 1.64 -0.89 -0.69 0.00 0.00 174.62 175.35 2ayx s THR 735 N 0.33 3.37 -0.73 -0.82 2.01 -1.26 -1.58 115.64 116.95 2ayx s THR 735 Ca -0.14 0.64 -0.23 0.00 0.31 0.00 0.00 61.69 62.27 2ayx s THR 735 Cb -0.16 -3.41 0.07 0.00 0.01 0.00 0.00 72.50 69.01 2ayx s THR 735 CO 0.06 -0.03 1.06 -0.47 -0.69 0.00 0.00 174.62 174.56 2ayx s TYR 736 N 3.33 2.67 -0.13 4.92 5.04 -0.19 -4.75 117.35 128.23 2ayx s TYR 736 Ca 0.73 -0.61 0.17 0.00 -2.44 0.00 0.00 57.07 54.92 2ayx s TYR 736 Cb -0.36 -4.37 -0.23 0.00 0.35 0.00 0.00 41.96 37.35 2ayx s TYR 736 CO 0.31 -1.71 0.38 0.39 -1.34 0.00 0.00 175.55 173.58 2ayx n GLU 737 N 7.87 0.66 0.00 4.97 1.02 -1.26 -4.55 120.64 129.35 2ayx n GLU 737 Ca 0.03 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 2ayx n GLU 737 Cb 0.47 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 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 1.60 -0.54 0.53 0.62 0.00 -1.26 -5.18 105.19 100.97 2ayx n GLY 738 Ca -0.23 0.18 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 2ayx n GLY 738 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ayx n GLN 739 N 0.00 1.02 -2.21 1.61 3.00 -1.26 -5.06 117.38 114.48 2ayx n GLN 739 Ca 0.00 -0.43 -0.41 0.00 -0.01 0.00 0.00 57.00 56.14 2ayx n GLN 739 Cb 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 30.24 30.19 2ayx n GLN 739 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2ayx s GLU 740 N -2.35 4.39 0.04 -1.09 2.12 -1.26 -5.02 118.70 115.53 2ayx s GLU 740 Ca 0.08 2.06 -0.21 0.00 0.36 0.00 0.00 54.97 57.26 2ayx s GLU 740 Cb -0.01 -3.19 -0.06 0.00 0.26 0.00 0.00 34.13 31.13 2ayx s GLU 740 CO 0.05 -0.25 0.61 -1.25 -0.54 0.00 0.00 175.26 173.88 2ayx s PRO 741 N -0.20 4.30 -0.01 4.30 0.05 -1.26 -5.09 135.00 137.09 2ayx s PRO 741 Ca 0.56 0.79 0.03 0.00 0.05 0.00 0.00 61.00 62.43 2ayx s PRO 741 Cb -0.37 -3.29 -0.01 0.00 0.05 0.00 0.00 34.50 30.88 2ayx s PRO 741 CO 0.39 0.49 -0.11 0.99 0.05 0.00 0.00 177.00 178.81 2ayx s THR 742 N -0.64 0.87 -0.84 1.26 2.01 -1.25 -4.97 115.64 112.08 2ayx s THR 742 Ca 0.31 -0.49 0.12 0.00 0.31 0.00 0.00 61.69 61.95 2ayx s THR 742 Cb -0.19 -0.73 0.11 0.00 0.01 0.00 0.00 72.50 71.70 2ayx s THR 742 CO 0.19 0.23 1.39 -0.81 -0.69 0.00 0.00 174.62 174.93 2ayx n PRO 743 N 2.78 0.04 -0.06 4.92 -0.04 -1.26 -0.98 135.00 140.40 2ayx n PRO 743 Ca -0.14 0.39 0.07 0.00 -0.04 0.00 0.00 63.50 63.77 2ayx n PRO 743 Cb 0.56 -1.60 0.09 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.69 1.39 -4.16 0.54 -0.58 -1.26 -2.47 120.64 112.41 2ayx n GLU 744 Ca 0.02 -1.53 -0.28 0.00 -0.42 0.00 0.00 57.16 54.95 2ayx n GLU 744 Cb 0.12 -1.27 -0.08 0.00 -0.57 0.00 0.00 31.44 29.64 2ayx n GLU 744 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ayx s ASP 745 N -1.08 4.92 0.08 1.62 1.01 -0.15 -4.74 116.67 118.33 2ayx s ASP 745 Ca 0.19 -0.27 0.10 0.00 0.71 0.00 0.00 52.55 53.28 2ayx s ASP 745 Cb 0.12 -1.12 -0.03 0.00 1.01 0.00 0.00 42.92 42.90 2ayx s ASP 745 CO 0.17 0.14 -0.26 0.68 0.21 0.00 0.00 175.17 176.10 2ayx s VAL 746 N -1.49 2.17 -0.39 -1.27 -7.23 -1.26 -0.94 120.40 110.00 2ayx s VAL 746 Ca 0.26 -1.55 -0.11 0.00 -1.81 0.00 0.00 61.98 58.77 2ayx s VAL 746 Cb -0.11 -1.89 0.04 0.00 0.56 0.00 0.00 36.38 34.99 2ayx s VAL 746 CO 0.18 0.23 0.22 -0.22 -0.31 0.00 0.00 175.10 175.20 2ayx s LEU 747 N -1.62 4.84 -0.49 1.32 0.20 -0.61 -1.22 118.68 121.10 2ayx s LEU 747 Ca 0.13 -1.14 -0.19 0.00 0.69 0.00 0.00 54.13 53.62 2ayx s LEU 747 Cb -0.10 -2.01 0.05 0.00 -0.43 0.00 0.00 46.19 43.70 2ayx s LEU 747 CO 0.04 -0.43 0.59 -0.63 -0.29 0.00 0.00 176.35 175.63 2ayx s ILE 748 N 1.52 4.91 0.13 6.68 1.01 0.33 -0.41 121.20 135.37 2ayx s ILE 748 Ca 0.02 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.26 2ayx s ILE 748 Cb -0.20 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 37.98 2ayx s ILE 748 CO 0.05 -0.72 0.24 0.42 0.00 0.00 0.00 174.94 174.93 2ayx s THR 749 N 2.54 5.20 -0.28 2.92 -4.23 -0.03 -0.40 115.64 121.36 2ayx s THR 749 Ca 0.15 -0.68 -0.03 0.00 -1.18 0.00 0.00 61.69 59.95 2ayx s THR 749 Cb -0.19 -3.64 0.03 0.00 1.34 0.00 0.00 72.50 70.04 2ayx s THR 749 CO 0.13 -0.04 -0.01 -0.62 -0.54 0.00 0.00 174.62 173.54 2ayx s ASP 750 N -3.04 4.70 0.45 3.99 2.15 -0.91 -0.64 116.67 123.37 2ayx s ASP 750 Ca 0.34 -0.96 0.00 0.00 0.43 0.00 0.00 52.55 52.36 2ayx s ASP 750 Cb -0.11 -1.73 0.00 0.00 -0.30 0.00 0.00 42.92 40.77 2ayx s ASP 750 CO 0.27 -0.19 0.00 1.21 -0.17 0.00 0.00 175.17 176.30 2ayx n GLU 751 N 4.71 -0.65 -1.75 4.34 4.07 -0.05 -4.72 120.64 126.59 2ayx n GLU 751 Ca -0.15 0.43 -0.42 0.00 -0.06 0.00 0.00 57.16 56.96 2ayx n GLU 751 Cb 0.46 -0.79 -0.03 0.00 -0.06 0.00 0.00 31.44 31.02 2ayx n GLU 751 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2ayx s VAL 752 N -0.64 2.41 -0.18 6.31 1.01 -1.26 -4.81 120.40 123.23 2ayx s VAL 752 Ca 0.00 0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.14 2ayx s VAL 752 Cb 0.00 -3.07 -0.07 0.00 0.00 0.00 0.00 36.38 33.25 2ayx s VAL 752 CO 0.00 0.00 0.20 0.55 0.00 0.00 0.00 175.10 175.85 2ayx n VAL 753 N 4.43 0.00 -3.56 2.92 3.14 -1.26 -5.03 118.33 118.96 2ayx n VAL 753 Ca 0.17 -0.30 -0.21 0.00 -2.96 0.00 0.00 64.34 61.04 2ayx n VAL 753 Cb 0.37 0.82 0.05 0.00 -1.06 0.00 0.00 33.84 34.02 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 -1.29 -2.99 -3.87 6.55 7.64 -1.26 -5.01 113.62 113.39 2ayx n SER 754 Ca 0.00 -0.79 -0.09 0.00 1.01 0.00 0.00 58.87 59.00 2ayx n SER 754 Cb 0.10 -4.36 -0.04 0.00 -1.01 0.00 0.00 64.21 58.90 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 -5.57 1.54 -0.11 1.43 2.47 -1.26 -5.08 119.74 113.16 2ayx s LYS 755 Ca 0.16 -1.05 0.01 0.00 -1.56 0.00 0.00 55.97 53.53 2ayx s LYS 755 Cb -0.04 0.52 -0.07 0.00 -1.46 0.00 0.00 37.83 36.78 2ayx s LYS 755 CO 0.79 -0.66 -0.10 1.17 0.16 0.00 0.00 175.35 176.71 2ayx n LYS 756 N -0.38 0.28 -0.64 4.03 3.00 -1.26 -4.98 118.16 118.21 2ayx n LYS 756 Ca -0.05 0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 2ayx n LYS 756 Cb 0.61 -1.22 0.00 0.00 0.00 0.00 0.00 35.03 34.42 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 -2.84 -1.70 -3.93 5.64 -0.00 -1.26 -4.87 117.44 108.48 2ayx n TRP 757 Ca -0.20 0.90 -0.35 0.00 -0.00 0.00 0.00 57.50 57.85 2ayx n TRP 757 Cb 0.71 -2.13 -0.14 0.00 -0.00 0.00 0.00 31.31 29.75 2ayx n TRP 757 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 2ayx s GLN 758 N -4.22 2.90 0.00 5.87 1.11 -1.26 -4.96 119.66 119.10 2ayx s GLN 758 Ca 0.00 -0.94 0.00 0.00 0.01 0.00 0.00 55.36 54.43 2ayx s GLN 758 Cb 0.00 -3.04 0.00 0.00 -1.01 0.00 0.00 33.01 28.96 2ayx s GLN 758 CO 0.00 -0.40 0.00 0.41 0.01 0.00 0.00 175.29 175.31 2ayx n GLY 759 N 4.70 1.26 0.07 3.09 0.00 -1.26 -3.88 105.19 109.18 2ayx n GLY 759 Ca -0.16 0.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.02 -2.73 1.61 2.43 -0.71 -3.43 114.38 111.53 2ayx h ARG 760 Ca 0.00 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 2ayx h ARG 760 Cb 0.00 0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 29.45 2ayx h ARG 760 CO 0.00 0.51 0.32 0.00 -1.51 0.00 0.00 179.97 179.30 2ayx s ALA 761 N -2.51 -1.57 -0.07 2.80 0.00 -1.24 -4.82 121.76 114.35 2ayx s ALA 761 Ca -0.11 0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.22 2ayx s ALA 761 Cb -0.01 0.73 0.02 0.00 0.00 0.00 0.00 23.12 23.86 2ayx s ALA 761 CO 0.39 -0.86 -0.07 0.54 0.00 0.00 0.00 175.76 175.76 2ayx s VAL 762 N -3.57 0.79 -0.26 0.00 0.11 -0.15 -1.57 120.40 115.74 2ayx s VAL 762 Ca 0.06 -0.23 0.03 0.00 -2.93 0.00 0.00 61.98 58.91 2ayx s VAL 762 Cb -0.02 -0.80 0.06 0.00 -1.53 0.00 0.00 36.38 34.09 2ayx s VAL 762 CO -0.05 0.30 -0.10 -0.69 -3.33 0.00 0.00 175.10 171.22 2ayx s VAL 763 N 1.15 2.18 -0.25 2.04 1.01 0.46 -0.62 120.40 126.36 2ayx s VAL 763 Ca -0.07 -1.67 -0.08 0.00 0.00 0.00 0.00 61.98 60.16 2ayx s VAL 763 Cb -0.14 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 2ayx s VAL 763 CO -0.01 -0.05 0.10 -0.89 0.00 0.00 0.00 175.10 174.24 2ayx s THR 764 N 1.09 4.61 0.48 3.92 2.01 0.03 -0.85 115.64 126.93 2ayx s THR 764 Ca -0.08 -0.07 -0.20 0.00 0.31 0.00 0.00 61.69 61.64 2ayx s THR 764 Cb -0.20 -3.16 -0.09 0.00 0.01 0.00 0.00 72.50 69.06 2ayx s THR 764 CO -0.05 0.33 1.02 -0.36 -0.69 0.00 0.00 174.62 174.87 2ayx s PHE 765 N 1.49 3.06 -0.02 4.92 0.40 0.19 -1.38 117.98 126.65 2ayx s PHE 765 Ca 0.06 1.58 0.03 0.00 -0.60 0.00 0.00 56.93 58.00 2ayx s PHE 765 Cb -0.15 -3.02 -0.00 0.00 0.51 0.00 0.00 43.02 40.36 2ayx s PHE 765 CO 0.05 -0.69 -0.09 0.00 0.70 0.00 0.00 175.22 175.19 2ayx n ARG 767 N 3.09 3.46 -1.06 0.00 5.12 -1.26 -3.78 116.66 122.23 2ayx n ARG 767 Ca -0.16 -4.19 -0.02 0.00 -1.93 0.00 0.00 57.85 51.55 2ayx n ARG 767 Cb 0.55 -2.27 -0.01 0.00 -1.16 0.00 0.00 32.46 29.58 2ayx n ARG 767 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2ayx n ARG 768 N -0.64 -0.88 -2.71 5.56 5.12 -1.26 -4.91 116.66 116.94 2ayx n ARG 768 Ca 0.44 0.36 -0.39 0.00 -1.93 0.00 0.00 57.85 56.32 2ayx n ARG 768 Cb 0.82 -4.10 0.01 0.00 -1.16 0.00 0.00 32.46 28.03 2ayx n ARG 768 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2ayx n HIS 769 N -2.57 2.92 -0.67 -1.55 8.25 -1.26 -4.93 115.22 115.40 2ayx n HIS 769 Ca -0.02 -2.76 0.00 0.00 -0.26 0.00 0.00 57.72 54.68 2ayx n HIS 769 Cb 0.25 -1.10 0.00 0.00 1.12 0.00 0.00 29.99 30.26 2ayx n HIS 769 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2ayx n ILE 770 N 0.00 -2.71 -3.51 1.59 5.41 -1.26 -4.28 119.36 114.60 2ayx n ILE 770 Ca 0.44 0.95 -0.35 0.00 1.00 0.00 0.00 62.75 64.79 2ayx n ILE 770 Cb 0.28 -1.86 -0.06 0.00 -0.71 0.00 0.00 39.64 37.30 2ayx n ILE 770 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2ayx s GLY 771 N -1.41 2.37 0.48 7.39 0.00 -1.26 -4.29 107.32 110.60 2ayx s GLY 771 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 44.72 44.38 2ayx s GLY 771 CO 0.00 -0.07 0.75 -1.50 0.00 0.00 0.00 173.10 172.28 2ayx s ILE 772 N -1.43 4.49 0.03 0.90 1.10 -1.26 -5.02 121.20 120.01 2ayx s ILE 772 Ca 0.35 -0.08 -0.34 0.00 -0.51 0.00 0.00 60.65 60.06 2ayx s ILE 772 Cb -0.14 -3.70 -0.13 0.00 0.15 0.00 0.00 42.46 38.64 2ayx s ILE 772 CO 0.19 -0.62 1.70 -0.81 -2.11 0.00 0.00 174.94 173.28 2ayx n PRO 773 N -2.22 2.04 0.00 3.50 -0.04 -1.26 -4.88 135.00 132.14 2ayx n PRO 773 Ca 0.01 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.21 2ayx n PRO 773 Cb 0.56 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 2ayx n PRO 773 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2ayx n LEU 774 N 4.79 0.00 -2.35 1.53 -0.00 -1.26 -4.14 117.00 115.57 2ayx n LEU 774 Ca 0.20 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 56.15 2ayx n LEU 774 Cb 0.28 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.63 2ayx n LEU 774 CO 0.68 0.00 1.07 -0.62 -0.00 0.00 0.00 177.39 178.52 2ayx n GLU 775 N 0.00 0.93 -0.06 1.47 4.71 0.30 -3.07 120.64 124.91 2ayx n GLU 775 Ca 0.00 -0.50 0.10 0.00 -0.01 0.00 0.00 57.16 56.75 2ayx n GLU 775 Cb 0.00 -1.77 0.12 0.00 -1.01 0.00 0.00 31.44 28.78 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 2.91 1.92 -4.28 3.49 2.85 -1.26 -4.97 118.16 118.81 2ayx n LYS 776 Ca 0.20 -1.82 -0.15 0.00 -1.05 0.00 0.00 58.31 55.48 2ayx n LYS 776 Cb 0.38 -1.39 -0.10 0.00 -0.65 0.00 0.00 35.03 33.26 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 -1.48 1.55 0.57 0.58 0.00 -1.17 -5.07 121.76 116.73 2ayx s ALA 777 Ca 0.26 -1.80 0.25 0.00 0.00 0.00 0.00 51.96 50.67 2ayx s ALA 777 Cb 0.17 1.18 1.62 0.00 0.00 0.00 0.00 23.12 26.09 2ayx s ALA 777 CO 0.25 -0.51 2.20 -1.35 0.00 0.00 0.00 175.76 176.35 2ayx h PRO 778 N 2.45 0.00 -0.02 0.00 0.11 -1.93 -3.30 132.00 129.31 2ayx h PRO 778 Ca -0.37 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.59 2ayx h PRO 778 Cb 1.25 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.17 2ayx h PRO 778 CO 0.57 0.00 -0.46 0.41 -0.21 0.00 0.00 178.00 178.31 2ayx n GLY 779 N -1.41 0.93 3.64 -0.55 0.00 -1.26 -5.08 105.19 101.46 2ayx n GLY 779 Ca -0.02 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.17 3.98 0.06 1.61 8.01 -1.24 -0.98 118.70 129.96 2ayx s GLU 780 Ca 0.09 -0.34 0.03 0.00 0.01 0.00 0.00 54.97 54.76 2ayx s GLU 780 Cb 0.16 -3.22 -0.03 0.00 -4.31 0.00 0.00 34.13 26.74 2ayx s GLU 780 CO -0.05 0.28 -0.09 -1.58 0.01 0.00 0.00 175.26 173.83 2ayx s TRP 781 N 0.35 0.81 0.05 1.61 0.52 0.20 -0.54 118.94 121.94 2ayx s TRP 781 Ca 0.03 -0.56 -0.00 0.00 0.02 0.00 0.00 56.10 55.59 2ayx s TRP 781 Cb -0.12 -0.47 -0.04 0.00 -1.15 0.00 0.00 33.47 31.69 2ayx s TRP 781 CO 0.00 -0.06 -0.04 0.14 0.02 0.00 0.00 176.95 177.01 2ayx s VAL 782 N -1.72 0.27 -0.30 4.03 -7.23 -1.26 -0.79 120.40 113.40 2ayx s VAL 782 Ca -0.05 -1.63 -0.14 0.00 -1.81 0.00 0.00 61.98 58.35 2ayx s VAL 782 Cb -0.08 -1.27 0.15 0.00 0.56 0.00 0.00 36.38 35.75 2ayx s VAL 782 CO 0.00 -0.87 0.90 -2.28 -0.31 0.00 0.00 175.10 172.54 2ayx s HIS 783 N -3.32 -0.83 -0.61 2.82 2.46 -0.48 -4.90 115.29 110.44 2ayx s HIS 783 Ca 0.03 1.46 -0.21 0.00 0.47 0.00 0.00 55.06 56.81 2ayx s HIS 783 Cb 0.04 0.50 0.07 0.00 -0.13 0.00 0.00 32.58 33.06 2ayx s HIS 783 CO -0.07 -0.41 0.85 -1.12 -2.47 0.00 0.00 174.74 171.52 2ayx s SER 784 N 2.38 6.20 0.39 9.88 0.01 -1.26 -1.89 113.70 129.41 2ayx s SER 784 Ca -0.04 -1.02 -0.13 0.00 1.31 0.00 0.00 55.95 56.07 2ayx s SER 784 Cb -0.07 -2.37 0.05 0.00 0.21 0.00 0.00 66.02 63.83 2ayx s SER 784 CO -0.18 -1.26 0.74 0.68 0.41 0.00 0.00 173.24 173.63 2ayx s VAL 785 N 3.52 0.00 -0.38 3.43 -7.23 -1.25 -4.93 120.40 113.56 2ayx s VAL 785 Ca 0.19 -1.11 0.06 0.00 -1.81 0.00 0.00 61.98 59.32 2ayx s VAL 785 Cb -0.19 -2.89 0.55 0.00 0.56 0.00 0.00 36.38 34.41 2ayx s VAL 785 CO 0.10 0.00 1.65 0.00 -0.31 0.00 0.00 175.10 176.54 2ayx n ALA 786 N -0.55 5.00 -2.75 1.32 0.00 -1.26 -4.79 120.51 117.49 2ayx n ALA 786 Ca -0.07 -3.16 -0.01 0.00 0.00 0.00 0.00 53.44 50.20 2ayx n ALA 786 Cb 0.60 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.02 2ayx n ALA 786 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ayx n ALA 787 N -1.08 -2.44 -1.00 0.00 0.00 -1.26 -4.62 120.51 110.10 2ayx n ALA 787 Ca 0.46 0.17 0.00 0.00 0.00 0.00 0.00 53.44 54.07 2ayx n ALA 787 Cb 1.19 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 19.08 2ayx n ALA 787 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2ayx n PRO 788 N -1.41 0.00 -0.08 0.00 -0.02 -1.26 -4.90 135.00 127.33 2ayx n PRO 788 Ca 0.02 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.51 2ayx n PRO 788 Cb 0.48 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 33.98 2ayx n PRO 788 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2ayx n HIS 789 N 0.00 0.00 -0.07 6.00 1.44 -1.26 -4.78 115.22 116.54 2ayx n HIS 789 Ca 0.00 -0.29 -0.11 0.00 -2.01 0.00 0.00 57.72 55.31 2ayx n HIS 789 Cb 0.00 -0.04 -0.08 0.00 0.12 0.00 0.00 29.99 29.99 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 0.00 -0.21 -1.40 -0.00 -1.99 -3.14 114.58 107.84 2ayx h GLU 790 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 2ayx h GLU 790 Cb 0.88 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.62 2ayx h GLU 790 CO 0.00 0.60 0.08 1.25 -0.00 0.00 0.00 179.01 180.94 2ayx h LEU 791 N -1.00 0.29 -2.00 3.06 6.46 -1.98 -1.84 115.31 118.30 2ayx h LEU 791 Ca -0.08 -0.17 0.12 0.00 -0.12 0.00 0.00 57.88 57.63 2ayx h LEU 791 Cb 0.75 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.59 2ayx h LEU 791 CO -0.05 0.38 0.30 1.55 -0.62 0.00 0.00 178.44 180.00 2ayx h PRO 792 N 0.18 0.00 -0.37 5.25 0.13 -1.87 -0.21 132.00 135.12 2ayx h PRO 792 Ca 0.07 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.07 2ayx h PRO 792 Cb 0.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.30 2ayx h PRO 792 CO -0.01 0.00 -0.29 0.00 -0.23 0.00 0.00 178.00 177.48 2ayx h ALA 793 N 1.79 0.54 -0.64 -0.56 0.00 -1.37 -0.24 119.26 118.77 2ayx h ALA 793 Ca 0.20 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2ayx h ALA 793 Cb 0.80 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2ayx h ALA 793 CO -0.00 0.56 0.40 1.25 0.00 0.00 0.00 179.25 181.46 2ayx h LEU 794 N 0.65 0.77 -0.39 0.00 7.12 -0.32 -0.03 115.31 123.11 2ayx h LEU 794 Ca 0.07 -0.05 -0.02 0.00 0.13 0.00 0.00 57.88 58.00 2ayx h LEU 794 Cb 0.86 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 40.78 2ayx h LEU 794 CO 0.08 0.59 0.15 -0.07 -0.13 0.00 0.00 178.44 179.06 2ayx h LEU 795 N 0.87 0.55 -1.02 2.25 -0.00 -0.96 -0.27 115.31 116.73 2ayx h LEU 795 Ca 0.23 -0.17 -0.05 0.00 -0.00 0.00 0.00 57.88 57.89 2ayx h LEU 795 Cb -0.04 -0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 40.45 2ayx h LEU 795 CO -0.04 0.57 0.18 0.00 -0.00 0.00 0.00 178.44 179.15 2ayx h ALA 796 N 1.00 1.21 -0.15 1.53 0.00 -0.74 -2.10 119.26 120.01 2ayx h ALA 796 Ca 0.13 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 2ayx h ALA 796 Cb 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2ayx h ALA 796 CO -0.01 0.55 -0.53 0.07 0.00 0.00 0.00 179.25 179.33 2ayx h ARG 797 N 0.86 0.42 -0.65 0.00 0.11 -0.74 0.19 114.38 114.57 2ayx h ARG 797 Ca 0.19 -0.26 -0.03 0.00 0.10 0.00 0.00 59.98 59.99 2ayx h ARG 797 Cb 0.25 0.03 -0.03 0.00 1.11 0.00 0.00 29.97 31.33 2ayx h ARG 797 CO -0.01 0.85 0.31 0.82 0.10 0.00 0.00 179.97 182.04 2ayx h ILE 798 N 0.33 1.22 -0.15 0.08 2.04 -0.46 -1.53 117.51 119.04 2ayx h ILE 798 Ca 0.01 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.23 2ayx h ILE 798 Cb 1.04 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2ayx h ILE 798 CO 0.09 0.26 0.00 -1.22 0.00 0.00 0.00 178.15 177.28 2ayx n TYR 799 N -4.47 0.19 -3.63 1.37 4.01 -0.84 -4.92 117.16 108.86 2ayx n TYR 799 Ca 0.05 -0.09 -0.22 0.00 -0.16 0.00 0.00 57.90 57.47 2ayx n TYR 799 Cb 0.13 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.22 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 0.16 -3.38 -0.03 7.72 4.77 -0.58 -4.89 117.00 120.77 2ayx n LEU 800 Ca 0.15 -0.68 -0.15 0.00 -0.03 0.00 0.00 56.01 55.30 2ayx n LEU 800 Cb 0.29 -2.88 -0.10 0.00 -2.33 0.00 0.00 43.42 38.40 2ayx n LEU 800 CO 0.12 0.47 0.47 0.40 -1.33 0.00 0.00 177.39 177.52 2ayx h ILE 801 N -2.11 1.45 -5.83 -0.08 2.04 -0.90 -3.49 117.51 108.59 2ayx h ILE 801 Ca -0.59 -1.67 -0.29 0.00 1.00 0.00 0.00 64.86 63.30 2ayx h ILE 801 Cb 1.36 2.38 0.10 0.00 -0.74 0.00 0.00 36.82 39.93 2ayx h ILE 801 CO 0.56 0.47 -0.75 -0.62 0.00 0.00 0.00 178.15 177.81 2ayx n GLU 802 N -4.51 -1.61 -3.61 2.37 -0.58 -1.26 -5.00 120.64 106.43 2ayx n GLU 802 Ca -0.08 0.81 -0.29 0.00 -0.42 0.00 0.00 57.16 57.18 2ayx n GLU 802 Cb 0.45 -4.89 -0.13 0.00 -0.57 0.00 0.00 31.44 26.30 2ayx n GLU 802 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 2ayx s MET 803 N -4.80 0.89 0.00 3.49 1.75 -1.26 -4.87 119.30 114.50 2ayx s MET 803 Ca 0.35 -1.57 0.00 0.00 -1.25 0.00 0.00 55.69 53.22 2ayx s MET 803 Cb -0.09 -1.85 0.00 0.00 2.84 0.00 0.00 34.83 35.73 2ayx s MET 803 CO 0.80 -1.15 0.89 -0.85 -0.65 0.00 0.00 175.02 174.06 2ayx n GLU 804 N 3.97 0.00 -3.10 4.11 0.28 -1.26 -5.11 120.64 119.53 2ayx n GLU 804 Ca 0.08 -0.83 -0.39 0.00 -0.16 0.00 0.00 57.16 55.86 2ayx n GLU 804 Cb 0.37 -0.43 -0.06 0.00 1.43 0.00 0.00 31.44 32.74 2ayx n GLU 804 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2ayx s SER 805 N -0.79 7.24 -0.30 -1.84 1.04 -1.26 -5.06 113.70 112.74 2ayx s SER 805 Ca 0.00 1.48 -0.12 0.00 0.48 0.00 0.00 55.95 57.80 2ayx s SER 805 Cb 0.00 -2.44 0.12 0.00 0.10 0.00 0.00 66.02 63.80 2ayx s SER 805 CO 0.00 0.22 0.67 -0.62 0.98 0.00 0.00 173.24 174.48 2ayx s ASP 806 N -1.19 -1.09 -0.09 7.02 2.15 -1.26 -5.16 116.67 117.06 2ayx s ASP 806 Ca 0.34 1.55 0.02 0.00 0.43 0.00 0.00 52.55 54.88 2ayx s ASP 806 Cb -0.21 2.07 0.02 0.00 -0.30 0.00 0.00 42.92 44.49 2ayx s ASP 806 CO 0.23 -0.22 -0.12 -0.62 -0.17 0.00 0.00 175.17 174.26 2ayx s ASP 807 N 2.58 2.05 -1.06 -0.34 2.15 -1.26 -5.07 116.67 115.72 2ayx s ASP 807 Ca -0.07 -0.34 -0.22 0.00 0.43 0.00 0.00 52.55 52.35 2ayx s ASP 807 Cb -0.10 -0.91 0.04 0.00 -0.30 0.00 0.00 42.92 41.65 2ayx s ASP 807 CO -0.19 0.00 1.55 -2.16 -0.17 0.00 0.00 175.17 174.20 2ayx s PRO 808 N 0.93 3.54 0.05 4.34 0.04 -1.26 -4.83 135.00 137.82 2ayx s PRO 808 Ca -0.09 -1.19 -0.11 0.00 0.04 0.00 0.00 61.00 59.65 2ayx s PRO 808 Cb -0.15 -5.36 -0.32 0.00 0.04 0.00 0.00 34.50 28.71 2ayx s PRO 808 CO 0.00 -2.36 1.07 0.00 0.04 0.00 0.00 177.00 175.75 2ayx h ALA 809 N 9.57 -0.05 -2.98 8.56 0.00 -2.08 -3.44 119.26 128.84 2ayx h ALA 809 Ca 0.23 -0.87 -0.65 0.00 0.00 0.00 0.00 54.91 53.62 2ayx h ALA 809 Cb 0.98 0.10 -0.24 0.00 0.00 0.00 0.00 17.79 18.63 2ayx h ALA 809 CO 1.41 0.82 -0.66 1.21 0.00 0.00 0.00 179.25 182.03 2ayx s ASN 810 N -7.39 4.82 -0.41 0.00 2.47 -1.26 -4.97 114.94 108.20 2ayx s ASN 810 Ca -0.07 -0.27 -0.01 0.00 0.42 0.00 0.00 52.86 52.94 2ayx s ASN 810 Cb 0.05 -1.85 0.21 0.00 -1.45 0.00 0.00 41.25 38.21 2ayx s ASN 810 CO 0.92 -0.02 0.97 0.00 -3.72 0.00 0.00 177.10 175.25 2ayx n ALA 811 N 4.81 -2.99 -3.48 1.71 0.00 -1.26 -5.14 120.51 114.15 2ayx n ALA 811 Ca -0.17 -0.41 -0.22 0.00 0.00 0.00 0.00 53.44 52.64 2ayx n ALA 811 Cb 0.51 -2.56 -0.13 0.00 0.00 0.00 0.00 19.45 17.27 2ayx n ALA 811 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2ayx s LEU 812 N 0.80 0.09 0.10 0.00 2.96 -1.26 -5.13 118.68 116.24 2ayx s LEU 812 Ca 0.26 -0.81 -0.13 0.00 -0.22 0.00 0.00 54.13 53.23 2ayx s LEU 812 Cb 0.09 0.14 -0.06 0.00 0.50 0.00 0.00 46.19 46.86 2ayx s LEU 812 CO -0.09 -0.39 0.49 -2.16 -1.32 0.00 0.00 176.35 172.88 2ayx s PRO 813 N 2.25 3.92 -0.10 0.98 0.04 -1.26 -5.10 135.00 135.73 2ayx s PRO 813 Ca 0.08 0.40 -0.03 0.00 0.04 0.00 0.00 61.00 61.49 2ayx s PRO 813 Cb -0.15 -3.01 0.05 0.00 0.04 0.00 0.00 34.50 31.43 2ayx s PRO 813 CO -0.28 0.54 0.11 -1.12 0.04 0.00 0.00 177.00 176.29 2ayx s SER 814 N -1.61 1.45 -0.26 6.66 0.01 -1.26 -5.12 113.70 113.57 2ayx s SER 814 Ca 0.34 -0.11 -0.11 0.00 1.31 0.00 0.00 55.95 57.38 2ayx s SER 814 Cb -0.15 -0.03 0.10 0.00 0.21 0.00 0.00 66.02 66.14 2ayx s SER 814 CO 0.18 -0.29 0.59 -0.89 0.41 0.00 0.00 173.24 173.24 2ayx s THR 815 N 2.20 -0.49 -0.06 1.44 2.01 -1.26 -5.15 115.64 114.33 2ayx s THR 815 Ca 0.04 0.04 -0.00 0.00 0.31 0.00 0.00 61.69 62.08 2ayx s THR 815 Cb -0.14 -0.88 0.03 0.00 0.01 0.00 0.00 72.50 71.52 2ayx s THR 815 CO -0.06 0.02 -0.02 -0.62 -0.69 0.00 0.00 174.62 173.25 2ayx s ASP 816 N 2.25 1.18 -0.42 3.53 2.15 -1.26 -5.05 116.67 119.05 2ayx s ASP 816 Ca -0.07 -0.09 0.09 0.00 0.43 0.00 0.00 52.55 52.91 2ayx s ASP 816 Cb -0.09 -0.41 0.32 0.00 -0.30 0.00 0.00 42.92 42.44 2ayx s ASP 816 CO -0.17 -0.13 0.88 2.29 -0.17 0.00 0.00 175.17 177.87 2ayx n LYS 817 N 4.58 0.96 -3.06 4.34 2.85 -1.26 -5.08 118.16 121.49 2ayx n LYS 817 Ca -0.17 -2.68 -0.44 0.00 -1.05 0.00 0.00 58.31 53.97 2ayx n LYS 817 Cb 0.50 -1.39 -0.05 0.00 -0.65 0.00 0.00 35.03 33.45 2ayx n LYS 817 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2ayx s ALA 818 N -1.06 3.34 -0.01 0.58 0.00 -1.26 -5.01 121.76 118.34 2ayx s ALA 818 Ca 0.32 -2.07 -0.03 0.00 0.00 0.00 0.00 51.96 50.18 2ayx s ALA 818 Cb 0.31 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2ayx s ALA 818 CO -0.08 -2.40 0.06 0.54 0.00 0.00 0.00 175.76 173.88 2ayx s VAL 819 N 2.99 0.04 0.37 0.00 0.11 -1.26 -5.17 120.40 117.49 2ayx s VAL 819 Ca 0.14 -0.32 0.04 0.00 -2.93 0.00 0.00 61.98 58.91 2ayx s VAL 819 Cb -0.22 -0.20 -0.03 0.00 -1.53 0.00 0.00 36.38 34.40 2ayx s VAL 819 CO 0.08 -0.18 0.12 -0.44 -3.33 0.00 0.00 175.10 171.35 2ayx s SER 820 N -0.54 2.48 0.51 3.54 0.01 -1.26 -5.16 113.70 113.29 2ayx s SER 820 Ca -0.06 -1.59 -0.07 0.00 1.31 0.00 0.00 55.95 55.54 2ayx s SER 820 Cb -0.04 0.37 -0.04 0.00 0.21 0.00 0.00 66.02 66.52 2ayx s SER 820 CO 0.00 -0.86 0.84 -0.62 0.41 0.00 0.00 173.24 173.02 2ayx s ASP 821 N -3.54 6.26 0.00 2.44 -1.08 -1.26 -5.08 116.67 114.40 2ayx s ASP 821 Ca 0.28 1.05 0.00 0.00 -0.52 0.00 0.00 52.55 53.36 2ayx s ASP 821 Cb 0.04 -2.30 0.00 0.00 -1.46 0.00 0.00 42.92 39.20 2ayx s ASP 821 CO 0.15 -0.65 0.00 -3.20 0.52 0.00 0.00 175.17 171.99 2ayx n ASN 822 N -2.38 0.00 -2.83 -0.34 2.85 -1.26 -5.04 115.26 106.27 2ayx n ASN 822 Ca 0.02 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.46 2ayx n ASN 822 Cb 0.55 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.54 2ayx n ASN 822 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2ayx n ASP 823 N 0.00 -3.87 -3.26 1.20 2.03 -1.26 -5.04 116.55 106.34 2ayx n ASP 823 Ca 0.00 1.16 -0.05 0.00 0.52 0.00 0.00 54.79 56.42 2ayx n ASP 823 Cb 0.00 -3.58 -0.03 0.00 -0.72 0.00 0.00 41.12 36.78 2ayx n ASP 823 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2ayx s ASP 824 N -0.43 -0.52 -0.54 1.67 -1.08 -1.26 -5.10 116.67 109.41 2ayx s ASP 824 Ca -0.15 -0.93 -0.17 0.00 -0.52 0.00 0.00 52.55 50.78 2ayx s ASP 824 Cb 0.01 1.45 0.11 0.00 -1.46 0.00 0.00 42.92 43.03 2ayx s ASP 824 CO 0.44 -0.22 0.55 -0.04 0.52 0.00 0.00 175.17 176.41 2ayx s MET 825 N 1.85 3.01 -0.30 4.34 -1.94 -1.26 -5.02 119.30 119.98 2ayx s MET 825 Ca 0.15 -1.49 -0.09 0.00 -1.71 0.00 0.00 55.69 52.55 2ayx s MET 825 Cb -0.09 -4.25 -0.01 0.00 2.01 0.00 0.00 34.83 32.49 2ayx s MET 825 CO -0.09 -1.34 0.13 1.41 -0.01 0.00 0.00 175.02 175.12 2ayx s MET 826 N 1.98 3.40 -0.07 2.03 1.75 -1.26 -2.31 119.30 124.83 2ayx s MET 826 Ca 0.06 -0.67 0.03 0.00 -1.25 0.00 0.00 55.69 53.86 2ayx s MET 826 Cb -0.27 -3.51 -0.02 0.00 2.84 0.00 0.00 34.83 33.87 2ayx s MET 826 CO 0.05 -0.37 -0.15 0.42 -0.65 0.00 0.00 175.02 174.33 2ayx s ILE 827 N 1.61 3.01 -0.17 10.11 -1.09 0.20 -1.67 121.20 133.20 2ayx s ILE 827 Ca 0.05 -0.73 -0.11 0.00 -2.23 0.00 0.00 60.65 57.63 2ayx s ILE 827 Cb -0.17 -2.19 -0.05 0.00 -1.58 0.00 0.00 42.46 38.47 2ayx s ILE 827 CO 0.06 0.57 0.21 -0.22 -1.23 0.00 0.00 174.94 174.33 2ayx s LEU 828 N -0.43 4.26 -0.30 2.97 0.20 0.04 -0.93 118.68 124.49 2ayx s LEU 828 Ca 0.05 0.40 0.03 0.00 0.69 0.00 0.00 54.13 55.30 2ayx s LEU 828 Cb -0.12 -2.22 0.08 0.00 -0.43 0.00 0.00 46.19 43.51 2ayx s LEU 828 CO 0.02 0.19 -0.00 0.54 -0.29 0.00 0.00 176.35 176.80 2ayx s VAL 829 N 0.15 1.99 -0.33 1.68 0.11 0.23 -0.74 120.40 123.49 2ayx s VAL 829 Ca 0.13 -1.90 0.04 0.00 -2.93 0.00 0.00 61.98 57.32 2ayx s VAL 829 Cb -0.12 -2.34 0.10 0.00 -1.53 0.00 0.00 36.38 32.48 2ayx s VAL 829 CO 0.02 -0.39 0.04 0.68 -3.33 0.00 0.00 175.10 172.13 2ayx s VAL 830 N 1.10 2.20 0.19 2.04 -7.23 -0.45 -1.63 120.40 116.62 2ayx s VAL 830 Ca 0.03 -2.26 0.10 0.00 -1.81 0.00 0.00 61.98 58.05 2ayx s VAL 830 Cb -0.19 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.10 2ayx s VAL 830 CO -0.09 -0.57 -0.18 -0.62 -0.31 0.00 0.00 175.10 173.33 2ayx s ASP 831 N 0.95 3.78 0.07 4.85 2.15 -0.93 -0.61 116.67 126.94 2ayx s ASP 831 Ca 0.10 -0.75 0.23 0.00 0.43 0.00 0.00 52.55 52.56 2ayx s ASP 831 Cb -0.19 -0.45 -0.01 0.00 -0.30 0.00 0.00 42.92 41.97 2ayx s ASP 831 CO -0.09 0.11 0.96 -0.90 -0.17 0.00 0.00 175.17 175.08 2ayx n ASP 832 N 0.15 0.58 -3.90 -0.34 5.75 -0.07 -3.44 116.55 115.28 2ayx n ASP 832 Ca -0.12 -0.07 -0.30 0.00 -0.01 0.00 0.00 54.79 54.29 2ayx n ASP 832 Cb 0.56 0.88 -0.15 0.00 -1.03 0.00 0.00 41.12 41.38 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 -3.27 2.95 0.20 2.11 3.76 -1.26 -4.91 115.29 114.87 2ayx s HIS 833 Ca 0.01 -2.56 0.12 0.00 -0.15 0.00 0.00 55.06 52.48 2ayx s HIS 833 Cb 0.13 -2.46 0.73 0.00 1.11 0.00 0.00 32.58 32.09 2ayx s HIS 833 CO 0.81 -0.90 0.84 -2.30 -0.85 0.00 0.00 174.74 172.34 2ayx n PRO 834 N 4.34 -0.03 -0.31 8.40 -0.02 -1.26 -0.74 135.00 145.37 2ayx n PRO 834 Ca 0.02 0.72 -0.03 0.00 -2.02 0.00 0.00 63.50 62.20 2ayx n PRO 834 Cb 0.41 -1.32 0.10 0.00 -0.02 0.00 0.00 33.50 32.66 2ayx n PRO 834 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2ayx h ILE 835 N 0.00 1.18 0.05 4.25 6.09 -1.99 -1.91 117.51 125.18 2ayx h ILE 835 Ca 0.46 -0.38 -0.23 0.00 -1.37 0.00 0.00 64.86 63.33 2ayx h ILE 835 Cb 1.25 -0.04 -0.02 0.00 0.47 0.00 0.00 36.82 38.49 2ayx h ILE 835 CO -0.38 0.20 -1.08 -1.13 -3.07 0.00 0.00 178.15 172.69 2ayx h ASN 836 N 1.12 0.17 -0.49 2.19 -1.24 -1.37 -2.33 115.58 113.63 2ayx h ASN 836 Ca 0.33 -0.18 0.09 0.00 0.71 0.00 0.00 56.30 57.25 2ayx h ASN 836 Cb -0.07 -0.05 -0.07 0.00 0.73 0.00 0.00 38.32 38.85 2ayx h ASN 836 CO -0.09 1.13 0.05 -0.09 -1.29 0.00 0.00 177.43 177.14 2ayx h ARG 837 N 0.03 0.17 0.00 6.67 2.43 -1.45 0.17 114.38 122.40 2ayx h ARG 837 Ca -0.06 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 58.97 2ayx h ARG 837 Cb 1.83 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 31.32 2ayx h ARG 837 CO 0.16 0.11 -0.61 0.07 -1.51 0.00 0.00 179.97 178.19 2ayx h ARG 838 N 0.17 0.00 0.35 0.20 -0.00 -1.37 -2.54 114.38 111.19 2ayx h ARG 838 Ca 0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 60.21 2ayx h ARG 838 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.33 2ayx h ARG 838 CO -0.37 0.61 -0.17 1.25 -0.00 0.00 0.00 179.97 181.29 2ayx h LEU 839 N 0.00 -0.40 -0.59 0.08 7.12 -0.45 0.34 115.31 121.41 2ayx h LEU 839 Ca -0.01 -0.06 -0.14 0.00 0.13 0.00 0.00 57.88 57.80 2ayx h LEU 839 Cb 1.17 0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 41.38 2ayx h LEU 839 CO 0.08 -0.19 -0.68 0.17 -0.13 0.00 0.00 178.44 177.69 2ayx h LEU 840 N -0.59 0.00 -0.84 2.25 -0.00 -1.23 -2.68 115.31 112.23 2ayx h LEU 840 Ca -0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.77 2ayx h LEU 840 Cb 0.43 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.07 2ayx h LEU 840 CO 0.08 0.68 0.13 0.00 -0.00 0.00 0.00 178.44 179.33 2ayx h ALA 841 N 1.32 1.05 -0.04 0.17 0.00 -1.36 0.38 119.26 120.78 2ayx h ALA 841 Ca -0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2ayx h ALA 841 Cb 1.23 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2ayx h ALA 841 CO 0.09 0.62 0.02 0.22 0.00 0.00 0.00 179.25 180.20 2ayx h ASP 842 N 0.95 0.05 -0.39 0.00 1.82 -0.76 -0.05 116.42 118.04 2ayx h ASP 842 Ca 0.20 -0.08 0.02 0.00 -0.39 0.00 0.00 57.03 56.77 2ayx h ASP 842 Cb 0.37 -0.01 -0.03 0.00 0.68 0.00 0.00 39.33 40.34 2ayx h ASP 842 CO 0.00 0.12 0.23 1.56 -1.61 0.00 0.00 179.24 179.54 2ayx h GLN 843 N -0.02 0.45 -0.99 0.28 7.50 -1.20 -0.84 115.11 120.29 2ayx h GLN 843 Ca 0.01 -0.03 0.01 0.00 0.50 0.00 0.00 58.65 59.15 2ayx h GLN 843 Cb 0.08 -0.10 -0.05 0.00 0.05 0.00 0.00 27.48 27.46 2ayx h GLN 843 CO -0.00 0.30 0.65 1.25 -1.50 0.00 0.00 178.83 179.53 2ayx h LEU 844 N 0.46 1.14 -0.97 1.46 6.46 -0.81 -0.74 115.31 122.32 2ayx h LEU 844 Ca 0.15 -0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.86 2ayx h LEU 844 Cb 0.01 -0.29 -0.04 0.00 -0.73 0.00 0.00 40.66 39.61 2ayx h LEU 844 CO -0.07 0.83 0.44 1.23 -0.62 0.00 0.00 178.44 180.25 2ayx h GLY 845 N 1.35 1.26 1.96 3.75 0.00 -0.20 -1.50 103.07 109.69 2ayx h GLY 845 Ca 0.36 -0.58 -0.12 0.00 0.00 0.00 0.00 47.33 46.99 2ayx h GLY 845 CO -0.08 0.55 -0.56 1.76 0.00 0.00 0.00 176.54 178.21 2ayx h SER 846 N 1.18 0.05 1.31 0.19 0.02 -0.35 -2.52 113.55 113.42 2ayx h SER 846 Ca 0.29 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.20 2ayx h SER 846 Cb 0.05 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 2ayx h SER 846 CO -0.04 0.60 -0.09 -0.07 -1.14 0.00 0.00 176.83 176.09 2ayx h LEU 847 N 0.03 0.00 -0.54 5.07 3.38 -0.66 -3.47 115.31 119.12 2ayx h LEU 847 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ayx h LEU 847 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2ayx h LEU 847 CO 0.08 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.30 2ayx n GLY 848 N 0.45 0.97 3.44 0.83 0.00 -0.61 -5.09 105.19 105.18 2ayx n GLY 848 Ca 0.02 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.54 2.42 -0.39 1.61 2.02 -1.01 -5.03 117.35 114.43 2ayx s TYR 849 Ca 0.00 -0.32 -0.29 0.00 -0.37 0.00 0.00 57.07 56.09 2ayx s TYR 849 Cb 0.00 -1.28 -0.00 0.00 -0.40 0.00 0.00 41.96 40.28 2ayx s TYR 849 CO 0.00 0.38 1.57 -1.14 -1.57 0.00 0.00 175.55 174.79 2ayx s GLN 850 N -2.18 3.46 -0.37 -0.62 2.00 -0.98 -4.50 119.66 116.47 2ayx s GLN 850 Ca 0.17 1.11 -0.12 0.00 -2.00 0.00 0.00 55.36 54.51 2ayx s GLN 850 Cb -0.10 -4.10 0.01 0.00 0.80 0.00 0.00 33.01 29.62 2ayx s GLN 850 CO 0.08 -1.71 0.23 0.00 -0.50 0.00 0.00 175.29 173.40 2ayx s LYS 852 N 1.64 3.42 -0.23 0.00 3.01 -0.10 -4.92 119.74 122.56 2ayx s LYS 852 Ca 0.04 -0.08 -0.08 0.00 -1.01 0.00 0.00 55.97 54.85 2ayx s LYS 852 Cb -0.18 -3.97 -0.04 0.00 -1.01 0.00 0.00 37.83 32.63 2ayx s LYS 852 CO 0.08 -1.24 0.09 0.99 0.51 0.00 0.00 175.35 175.78 2ayx s THR 853 N 3.58 4.67 0.01 2.17 2.01 -1.26 -0.60 115.64 126.23 2ayx s THR 853 Ca 0.32 -0.06 -0.00 0.00 0.31 0.00 0.00 61.69 62.26 2ayx s THR 853 Cb -0.12 -3.17 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 2ayx s THR 853 CO 0.23 0.36 -0.02 0.00 -0.69 0.00 0.00 174.62 174.51 2ayx s ALA 854 N 1.22 0.07 -0.80 7.40 0.00 -0.64 -5.02 121.76 123.99 2ayx s ALA 854 Ca 0.05 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.64 2ayx s ALA 854 Cb -0.14 0.10 0.22 0.00 0.00 0.00 0.00 23.12 23.30 2ayx s ALA 854 CO 0.04 -0.11 0.76 -1.71 0.00 0.00 0.00 175.76 174.74 2ayx n ASN 855 N 2.05 3.97 0.00 0.00 4.05 -1.26 -2.18 115.26 121.90 2ayx n ASN 855 Ca -0.20 -3.27 0.00 0.00 0.45 0.00 0.00 54.58 51.56 2ayx n ASN 855 Cb 0.57 -0.89 0.00 0.00 1.23 0.00 0.00 39.78 40.69 2ayx n ASN 855 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2ayx n ASP 856 N 1.72 0.00 -0.10 1.20 -0.08 -1.22 -4.93 116.55 113.14 2ayx n ASP 856 Ca 0.24 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.35 2ayx n ASP 856 Cb 0.37 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.75 2ayx n ASP 856 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ayx n GLY 857 N -0.05 -0.83 0.32 0.27 0.00 -1.26 -4.20 105.19 99.43 2ayx n GLY 857 Ca 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.11 2ayx n GLY 857 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2ayx h VAL 858 N -1.00 0.96 0.00 1.61 -1.51 -1.99 -1.03 116.25 113.30 2ayx h VAL 858 Ca -0.26 -0.09 -0.00 0.00 -1.23 0.00 0.00 66.70 65.11 2ayx h VAL 858 Cb 1.08 0.67 -0.00 0.00 -2.13 0.00 0.00 31.29 30.92 2ayx h VAL 858 CO -0.16 0.05 -0.00 -0.78 -1.23 0.00 0.00 177.57 175.44 2ayx h ASP 859 N 0.27 0.00 -0.53 4.19 3.58 -1.97 -1.27 116.42 120.69 2ayx h ASP 859 Ca 0.15 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.48 2ayx h ASP 859 Cb 0.28 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.31 2ayx h ASP 859 CO -0.03 0.00 -0.13 0.00 -2.88 0.00 0.00 179.24 176.20 2ayx h ALA 860 N 2.00 0.75 -0.07 -0.78 0.00 -1.35 0.13 119.26 119.94 2ayx h ALA 860 Ca -0.00 -0.36 -0.22 0.00 0.00 0.00 0.00 54.91 54.33 2ayx h ALA 860 Cb 0.41 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2ayx h ALA 860 CO 0.00 0.68 -0.83 1.25 0.00 0.00 0.00 179.25 180.34 2ayx h LEU 861 N 0.91 0.70 -0.45 0.00 7.12 -1.47 -2.08 115.31 120.03 2ayx h LEU 861 Ca 0.14 -0.49 -0.06 0.00 0.13 0.00 0.00 57.88 57.60 2ayx h LEU 861 Cb 0.70 -0.21 -0.02 0.00 -0.53 0.00 0.00 40.66 40.61 2ayx h LEU 861 CO 0.05 1.27 0.06 -1.13 -0.13 0.00 0.00 178.44 178.57 2ayx h ASN 862 N 0.37 0.73 0.46 1.25 -0.73 -1.09 -2.16 115.58 114.40 2ayx h ASN 862 Ca -0.06 -0.27 -0.14 0.00 1.87 0.00 0.00 56.30 57.70 2ayx h ASN 862 Cb 1.45 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 39.83 2ayx h ASN 862 CO 0.16 0.81 -0.60 1.62 -0.37 0.00 0.00 177.43 179.05 2ayx h VAL 863 N 0.62 1.40 -0.69 2.57 3.04 -0.79 0.27 116.25 122.67 2ayx h VAL 863 Ca 0.14 -2.00 0.06 0.00 -1.01 0.00 0.00 66.70 63.88 2ayx h VAL 863 Cb 0.40 2.04 -0.04 0.00 -2.01 0.00 0.00 31.29 31.68 2ayx h VAL 863 CO 0.01 0.58 0.46 0.25 -1.01 0.00 0.00 177.57 177.86 2ayx h LEU 864 N 0.10 0.65 0.00 3.16 7.12 -1.11 -0.35 115.31 124.88 2ayx h LEU 864 Ca -0.01 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.00 2ayx h LEU 864 Cb 1.08 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 41.07 2ayx h LEU 864 CO 0.09 0.43 -0.60 0.28 -0.13 0.00 0.00 178.44 178.51 2ayx h SER 865 N 0.74 0.00 0.26 1.25 0.02 -0.88 -3.37 113.55 111.57 2ayx h SER 865 Ca 0.29 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 2ayx h SER 865 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2ayx h SER 865 CO -0.09 0.06 -0.12 0.11 -1.14 0.00 0.00 176.83 175.64 2ayx h LYS 866 N 0.00 -0.33 0.00 3.45 1.57 0.71 -3.48 116.57 118.48 2ayx h LYS 866 Ca 0.00 0.02 -0.20 0.00 -1.87 0.00 0.00 60.65 58.61 2ayx h LYS 866 Cb 0.84 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.17 2ayx h LYS 866 CO 0.00 0.03 -0.16 0.27 -0.57 0.00 0.00 179.45 179.01 2ayx n ASN 867 N -5.03 -0.49 -4.67 0.86 6.94 -0.63 -5.08 115.26 107.16 2ayx n ASN 867 Ca -0.08 -2.03 -0.37 0.00 -0.02 0.00 0.00 54.58 52.08 2ayx n ASN 867 Cb 0.26 1.02 -0.09 0.00 -2.36 0.00 0.00 39.78 38.61 2ayx n ASN 867 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 2ayx s HIS 868 N -3.22 3.34 0.10 -2.53 5.65 -1.26 -4.54 115.29 112.83 2ayx s HIS 868 Ca 0.18 0.37 0.09 0.00 0.25 0.00 0.00 55.06 55.94 2ayx s HIS 868 Cb 0.00 -2.35 -0.03 0.00 -1.18 0.00 0.00 32.58 29.01 2ayx s HIS 868 CO 0.12 0.05 -0.24 0.42 -0.65 0.00 0.00 174.74 174.44 2ayx s ILE 869 N 1.12 1.99 -0.17 0.89 1.09 -1.26 -4.88 121.20 119.97 2ayx s ILE 869 Ca 0.12 -1.56 -0.14 0.00 -1.10 0.00 0.00 60.65 57.96 2ayx s ILE 869 Cb -0.14 -1.76 -0.06 0.00 -1.06 0.00 0.00 42.46 39.45 2ayx s ILE 869 CO 0.05 0.09 -0.23 -0.67 -0.10 0.00 0.00 174.94 174.09 2ayx n ASP 870 N 1.21 1.87 -4.37 3.58 -0.08 -0.67 -4.95 116.55 113.13 2ayx n ASP 870 Ca -0.18 0.49 -0.32 0.00 -1.51 0.00 0.00 54.79 53.26 2ayx n ASP 870 Cb 0.53 -0.82 -0.15 0.00 2.34 0.00 0.00 41.12 43.02 2ayx n ASP 870 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2ayx s ILE 871 N -2.53 2.69 -0.14 5.18 1.09 -1.22 -4.34 121.20 121.92 2ayx s ILE 871 Ca -0.23 -0.83 0.02 0.00 -1.10 0.00 0.00 60.65 58.51 2ayx s ILE 871 Cb 0.04 -2.05 0.01 0.00 -1.06 0.00 0.00 42.46 39.39 2ayx s ILE 871 CO 0.34 0.57 -0.20 -0.69 -0.10 0.00 0.00 174.94 174.85 2ayx s VAL 872 N -0.25 2.21 -0.27 2.92 1.01 -1.08 -0.78 120.40 124.16 2ayx s VAL 872 Ca 0.00 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 61.00 2ayx s VAL 872 Cb -0.13 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.36 2ayx s VAL 872 CO 0.03 0.54 0.04 -0.76 0.00 0.00 0.00 175.10 174.95 2ayx s LEU 873 N 0.80 3.58 -0.35 3.92 1.43 0.08 -0.46 118.68 127.68 2ayx s LEU 873 Ca -0.07 -0.65 -0.11 0.00 -1.03 0.00 0.00 54.13 52.27 2ayx s LEU 873 Cb -0.16 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.25 2ayx s LEU 873 CO -0.01 -0.14 0.19 -0.44 0.23 0.00 0.00 176.35 176.17 2ayx s SER 874 N 1.48 5.68 -0.20 2.29 0.01 -0.38 -1.33 113.70 121.24 2ayx s SER 874 Ca 0.03 -0.78 -0.04 0.00 1.31 0.00 0.00 55.95 56.46 2ayx s SER 874 Cb -0.17 -2.02 -0.02 0.00 0.21 0.00 0.00 66.02 64.02 2ayx s SER 874 CO 0.01 -0.30 -0.02 -0.62 0.41 0.00 0.00 173.24 172.71 2ayx s ASP 875 N 1.59 4.68 -0.06 2.44 2.15 0.22 -0.85 116.67 126.85 2ayx s ASP 875 Ca 0.03 -0.24 0.04 0.00 0.43 0.00 0.00 52.55 52.82 2ayx s ASP 875 Cb -0.18 -1.79 -0.00 0.00 -0.30 0.00 0.00 42.92 40.64 2ayx s ASP 875 CO 0.07 0.06 -0.18 -0.69 -0.17 0.00 0.00 175.17 174.26 2ayx s VAL 876 N 1.00 1.56 -0.39 1.11 1.01 0.20 -0.89 120.40 123.99 2ayx s VAL 876 Ca 0.01 -0.77 0.23 0.00 0.00 0.00 0.00 61.98 61.45 2ayx s VAL 876 Cb -0.14 -1.35 0.05 0.00 0.00 0.00 0.00 36.38 34.94 2ayx s VAL 876 CO 0.01 0.45 1.20 -1.13 0.00 0.00 0.00 175.10 175.63 2ayx h ASN 877 N 6.39 0.00 -2.48 3.32 -0.00 -1.91 -2.03 115.58 118.87 2ayx h ASN 877 Ca -0.30 -0.07 -0.53 0.00 -0.00 0.00 0.00 56.30 55.40 2ayx h ASN 877 Cb 1.18 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 39.47 2ayx h ASN 877 CO 0.48 0.04 -0.49 -0.04 -0.00 0.00 0.00 177.43 177.41 2ayx s MET 878 N -3.28 3.25 1.04 6.67 -1.94 -1.26 -4.64 119.30 119.14 2ayx s MET 878 Ca 0.03 -0.75 -0.12 0.00 -1.71 0.00 0.00 55.69 53.14 2ayx s MET 878 Cb 0.10 -2.83 0.19 0.00 2.01 0.00 0.00 34.83 34.31 2ayx s MET 878 CO 0.75 0.48 0.96 -0.35 -0.01 0.00 0.00 175.02 176.85 2ayx n PRO 879 N -0.74 -1.35 -0.92 2.03 -0.04 -1.26 -4.79 135.00 127.93 2ayx n PRO 879 Ca -0.08 -0.35 -0.20 0.00 -0.04 0.00 0.00 63.50 62.84 2ayx n PRO 879 Cb 0.55 -2.20 -0.08 0.00 -0.04 0.00 0.00 33.50 31.72 2ayx n PRO 879 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2ayx n ASN 880 N -4.13 5.51 -0.07 3.54 5.15 -1.26 -4.00 115.26 120.00 2ayx n ASN 880 Ca 0.07 -2.36 -0.20 0.00 -0.60 0.00 0.00 54.58 51.49 2ayx n ASN 880 Cb 0.54 -1.24 -0.13 0.00 -0.53 0.00 0.00 39.78 38.42 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 3.18 0.69 0.05 1.20 0.00 -1.26 -4.42 117.12 116.57 2ayx n MET 881 Ca 0.48 0.21 -0.14 0.00 -0.00 0.00 0.00 57.70 58.24 2ayx n MET 881 Cb 0.48 -1.61 -0.14 0.00 0.00 0.00 0.00 33.22 31.96 2ayx n MET 881 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 175.97 176.19 2ayx h ASP 882 N -0.02 0.29 -0.04 6.12 3.58 -1.95 -3.39 116.42 121.00 2ayx h ASP 882 Ca -0.51 -0.40 -0.65 0.00 0.42 0.00 0.00 57.03 55.88 2ayx h ASP 882 Cb 1.94 -0.09 0.02 0.00 1.72 0.00 0.00 39.33 42.91 2ayx h ASP 882 CO -0.03 1.34 3.63 0.61 -2.88 0.00 0.00 179.24 181.91 2ayx n GLY 883 N 1.61 4.23 0.92 -0.78 0.00 -1.26 -3.83 105.19 106.08 2ayx n GLY 883 Ca -0.14 -1.51 -0.03 0.00 0.00 0.00 0.00 46.02 44.34 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 3.47 0.00 0.00 1.61 9.36 -1.26 -4.47 117.16 125.86 2ayx n TYR 884 Ca 0.77 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.98 2ayx n TYR 884 Cb 0.26 -0.09 0.28 0.00 -0.63 0.00 0.00 39.34 39.16 2ayx n TYR 884 CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 2ayx h ARG 885 N -0.09 0.51 0.25 2.98 -0.00 -1.91 -0.07 114.38 116.04 2ayx h ARG 885 Ca -0.06 -0.12 -0.01 0.00 -0.00 0.00 0.00 59.98 59.78 2ayx h ARG 885 Cb 1.02 -0.07 0.00 0.00 -0.00 0.00 0.00 29.97 30.93 2ayx h ARG 885 CO -0.04 0.57 -0.12 1.25 -0.00 0.00 0.00 179.97 181.64 2ayx h LEU 886 N 0.49 -0.28 -0.70 0.08 7.12 -1.85 0.50 115.31 120.67 2ayx h LEU 886 Ca 0.10 -0.08 -0.00 0.00 0.13 0.00 0.00 57.88 58.03 2ayx h LEU 886 Cb 0.39 0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 40.56 2ayx h LEU 886 CO 0.02 -0.09 0.43 0.74 -0.13 0.00 0.00 178.44 179.41 2ayx h THR 887 N -0.46 1.20 -0.60 1.05 2.02 -1.72 0.70 112.91 115.10 2ayx h THR 887 Ca -0.03 -0.42 -0.03 0.00 0.77 0.00 0.00 66.41 66.71 2ayx h THR 887 Cb 0.34 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 2ayx h THR 887 CO 0.06 0.20 0.28 -0.61 0.37 0.00 0.00 175.52 175.81 2ayx h GLN 888 N 0.95 0.88 -0.15 6.66 5.75 -0.94 -2.27 115.11 125.98 2ayx h GLN 888 Ca 0.25 -0.14 -0.11 0.00 -0.15 0.00 0.00 58.65 58.50 2ayx h GLN 888 Cb -0.05 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.35 2ayx h GLN 888 CO -0.05 0.72 -0.35 -0.09 -2.65 0.00 0.00 178.83 176.41 2ayx h ARG 889 N 0.83 0.51 -0.42 1.69 9.65 -0.37 -2.23 114.38 124.03 2ayx h ARG 889 Ca 0.21 -0.34 -0.10 0.00 -1.10 0.00 0.00 59.98 58.64 2ayx h ARG 889 Cb 0.15 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.76 2ayx h ARG 889 CO -0.02 0.96 -0.16 0.97 2.80 0.00 0.00 179.97 184.51 2ayx h ILE 890 N 0.13 1.26 -0.14 1.20 2.10 -0.86 -0.36 117.51 120.85 2ayx h ILE 890 Ca -0.00 -1.25 -0.17 0.00 1.08 0.00 0.00 64.86 64.52 2ayx h ILE 890 Cb 0.96 1.11 -0.01 0.00 -1.09 0.00 0.00 36.82 37.79 2ayx h ILE 890 CO 0.08 0.42 -0.61 0.08 -1.08 0.00 0.00 178.15 177.04 2ayx h ARG 891 N 0.71 0.47 0.00 2.19 0.11 -1.45 -2.95 114.38 113.46 2ayx h ARG 891 Ca 0.11 -0.33 -0.04 0.00 0.10 0.00 0.00 59.98 59.82 2ayx h ARG 891 Cb 0.66 0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.78 2ayx h ARG 891 CO 0.05 0.94 -0.18 1.96 0.10 0.00 0.00 179.97 182.84 2ayx h GLN 892 N 0.35 0.00 -0.01 0.08 1.08 -1.06 -2.70 115.11 112.85 2ayx h GLN 892 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2ayx h GLN 892 Cb 1.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.59 2ayx h GLN 892 CO 0.11 0.18 0.00 1.28 -0.95 0.00 0.00 178.83 179.45 2ayx n LEU 893 N -3.27 0.39 0.00 1.46 7.99 -0.17 -4.86 117.00 118.54 2ayx n LEU 893 Ca 0.01 -0.14 0.00 0.00 -0.01 0.00 0.00 56.01 55.87 2ayx n LEU 893 Cb 0.45 -0.01 0.00 0.00 -0.11 0.00 0.00 43.42 43.75 2ayx n LEU 893 CO 0.33 0.07 0.00 0.61 -1.51 0.00 0.00 177.39 176.89 2ayx n GLY 894 N 1.01 0.58 3.63 -0.72 0.00 -1.03 -5.04 105.19 103.61 2ayx n GLY 894 Ca 0.21 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2ayx n GLY 894 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ayx s LEU 895 N 0.00 3.84 0.00 0.99 0.20 -1.16 -4.79 118.68 117.76 2ayx s LEU 895 Ca 0.00 1.34 0.00 0.00 0.69 0.00 0.00 54.13 56.16 2ayx s LEU 895 Cb 0.00 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.22 2ayx s LEU 895 CO 0.00 -1.22 0.00 1.07 -0.29 0.00 0.00 176.35 175.91 2ayx n THR 896 N 6.44 0.00 -3.94 3.68 5.66 -1.26 -4.98 114.28 119.88 2ayx n THR 896 Ca 0.17 -0.35 -0.28 0.00 -3.05 0.00 0.00 64.05 60.54 2ayx n THR 896 Cb 0.46 0.86 -0.03 0.00 -1.55 0.00 0.00 70.33 70.07 2ayx n THR 896 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 2ayx s LEU 897 N -2.20 4.34 0.02 1.09 2.34 -1.26 -5.06 118.68 117.95 2ayx s LEU 897 Ca 0.00 0.20 -0.30 0.00 0.06 0.00 0.00 54.13 54.08 2ayx s LEU 897 Cb 0.00 -2.92 -0.06 0.00 -0.56 0.00 0.00 46.19 42.65 2ayx s LEU 897 CO 0.00 0.09 1.36 -2.16 -1.06 0.00 0.00 176.35 174.58 2ayx s PRO 898 N -3.02 4.31 -0.22 1.48 0.04 -1.26 -4.95 135.00 131.38 2ayx s PRO 898 Ca 0.35 1.94 -0.04 0.00 0.04 0.00 0.00 61.00 63.29 2ayx s PRO 898 Cb -0.12 -3.49 -0.00 0.00 0.04 0.00 0.00 34.50 30.93 2ayx s PRO 898 CO 0.28 -0.51 -0.05 0.08 0.04 0.00 0.00 177.00 176.85 2ayx s VAL 899 N 2.01 3.30 -0.34 -0.36 1.01 -1.07 -2.63 120.40 122.32 2ayx s VAL 899 Ca 0.63 -0.56 -0.16 0.00 0.00 0.00 0.00 61.98 61.88 2ayx s VAL 899 Cb -0.32 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 2ayx s VAL 899 CO 0.27 0.39 0.42 -0.63 0.00 0.00 0.00 175.10 175.55 2ayx s ILE 900 N 1.46 5.12 -0.77 2.22 1.01 0.39 -1.03 121.20 129.59 2ayx s ILE 900 Ca 0.05 0.20 -0.17 0.00 0.00 0.00 0.00 60.65 60.73 2ayx s ILE 900 Cb -0.14 -3.86 0.15 0.00 0.01 0.00 0.00 42.46 38.61 2ayx s ILE 900 CO -0.04 -0.11 0.85 -0.83 0.00 0.00 0.00 174.94 174.81 2ayx s GLY 901 N 1.73 2.12 -0.07 6.18 0.00 0.14 -1.25 107.32 116.17 2ayx s GLY 901 Ca 0.14 -2.76 -0.30 0.00 0.00 0.00 0.00 44.72 41.81 2ayx s GLY 901 CO 0.12 1.59 1.14 0.14 0.00 0.00 0.00 173.10 176.10 2ayx s VAL 902 N 1.83 4.41 0.02 1.40 1.01 -0.03 -0.82 120.40 128.22 2ayx s VAL 902 Ca 0.20 1.72 0.00 0.00 0.00 0.00 0.00 61.98 63.90 2ayx s VAL 902 Cb -0.14 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 2ayx s VAL 902 CO -0.03 -0.00 -0.04 0.42 0.00 0.00 0.00 175.10 175.45 2ayx s THR 903 N 2.17 0.17 -0.27 3.92 -4.23 -0.02 -0.63 115.64 116.75 2ayx s THR 903 Ca 0.54 -0.87 -0.29 0.00 -1.18 0.00 0.00 61.69 59.89 2ayx s THR 903 Cb -0.23 -0.30 -0.02 0.00 1.34 0.00 0.00 72.50 73.30 2ayx s THR 903 CO 0.21 -0.44 1.56 0.00 -0.54 0.00 0.00 174.62 175.41 2ayx s ALA 904 N -1.34 3.21 -0.59 3.99 0.00 -0.76 -0.89 121.76 125.38 2ayx s ALA 904 Ca -0.14 0.31 -0.30 0.00 0.00 0.00 0.00 51.96 51.83 2ayx s ALA 904 Cb -0.09 -3.87 -0.12 0.00 0.00 0.00 0.00 23.12 19.04 2ayx s ALA 904 CO -0.01 -2.06 2.44 0.09 0.00 0.00 0.00 175.76 176.22 2ayx n ASN 905 N 8.60 1.75 0.00 0.00 4.13 -1.26 -4.79 115.26 123.69 2ayx n ASN 905 Ca 0.18 -0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.35 2ayx n ASN 905 Cb 0.46 -1.33 0.00 0.00 -1.54 0.00 0.00 39.78 37.37 2ayx n ASN 905 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ayx n ALA 906 N 12.93 0.28 -1.00 5.41 0.00 -1.26 -5.11 120.51 131.76 2ayx n ALA 906 Ca 0.46 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2ayx n ALA 906 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 2ayx n ALA 906 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ayx n LEU 907 N -1.68 0.00 -1.89 0.00 4.77 -1.26 -4.99 117.00 111.94 2ayx n LEU 907 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 2ayx n LEU 907 Cb 0.00 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.38 2ayx n LEU 907 CO 0.00 0.00 1.02 0.00 -1.33 0.00 0.00 177.39 177.08 2ayx n ALA 908 N -2.39 4.56 -0.06 -1.18 0.00 -1.26 -4.50 120.51 115.68 2ayx n ALA 908 Ca 0.00 -2.46 0.11 0.00 0.00 0.00 0.00 53.44 51.09 2ayx n ALA 908 Cb 0.00 -1.19 0.50 0.00 0.00 0.00 0.00 19.45 18.76 2ayx n ALA 908 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ayx h GLU 909 N 2.34 0.39 0.08 0.00 3.07 -1.97 -1.14 114.58 117.34 2ayx h GLU 909 Ca 0.28 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.11 2ayx h GLU 909 Cb 2.29 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 30.11 2ayx h GLU 909 CO 0.72 0.25 -0.04 1.05 -1.40 0.00 0.00 179.01 179.60 2ayx h GLU 910 N 0.40 -0.10 -0.30 2.33 4.11 -2.00 0.04 114.58 119.06 2ayx h GLU 910 Ca 0.26 0.01 0.02 0.00 0.07 0.00 0.00 59.36 59.72 2ayx h GLU 910 Cb 0.49 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 2ayx h GLU 910 CO -0.07 0.08 0.13 -0.22 0.07 0.00 0.00 179.01 179.00 2ayx h LYS 911 N -0.26 0.27 -0.40 1.06 3.64 -1.69 -2.61 116.57 116.58 2ayx h LYS 911 Ca -0.01 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2ayx h LYS 911 Cb 0.23 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 2ayx h LYS 911 CO 0.02 0.18 0.23 1.96 -2.27 0.00 0.00 179.45 179.57 2ayx h GLN 912 N 0.28 0.55 -0.66 1.90 1.08 -1.14 -0.91 115.11 116.21 2ayx h GLN 912 Ca 0.13 -0.06 0.07 0.00 -1.45 0.00 0.00 58.65 57.34 2ayx h GLN 912 Cb 0.06 -0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 27.32 2ayx h GLN 912 CO -0.10 0.42 0.34 -0.09 -0.95 0.00 0.00 178.83 178.45 2ayx h ARG 913 N 0.52 0.59 -0.05 1.46 1.12 -0.78 0.61 114.38 117.85 2ayx h ARG 913 Ca 0.14 -0.04 -0.18 0.00 -1.11 0.00 0.00 59.98 58.80 2ayx h ARG 913 Cb 0.02 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 29.84 2ayx h ARG 913 CO -0.03 0.39 -0.75 0.00 -3.11 0.00 0.00 179.97 176.48 2ayx h LEU 915 N 0.21 0.96 0.07 0.00 5.85 -0.42 -3.27 115.31 118.71 2ayx h LEU 915 Ca -0.03 -0.49 -0.17 0.00 0.84 0.00 0.00 57.88 58.03 2ayx h LEU 915 Cb 1.32 -0.27 0.02 0.00 0.37 0.00 0.00 40.66 42.09 2ayx h LEU 915 CO 0.12 1.26 -0.70 -0.33 -0.34 0.00 0.00 178.44 178.45 2ayx h GLU 916 N 0.68 0.35 -6.42 1.25 5.08 -0.93 -3.48 114.58 111.11 2ayx h GLU 916 Ca 0.04 -0.47 -0.49 0.00 -1.00 0.00 0.00 59.36 57.45 2ayx h GLU 916 Cb 1.02 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 30.37 2ayx h GLU 916 CO 0.10 1.17 -0.83 0.43 -1.00 0.00 0.00 179.01 178.88 2ayx n SER 917 N -4.18 -2.38 -0.63 1.42 7.64 -0.12 -4.88 113.62 110.49 2ayx n SER 917 Ca -0.12 -0.91 0.05 0.00 1.01 0.00 0.00 58.87 58.91 2ayx n SER 917 Cb 0.74 -3.42 0.20 0.00 -1.01 0.00 0.00 64.21 60.72 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 -1.70 4.78 0.00 0.23 0.00 -1.26 -4.91 105.19 102.33 2ayx n GLY 918 Ca -0.13 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.10 0.00 0.00 1.61 2.81 -1.26 -4.67 117.12 114.51 2ayx n MET 919 Ca 0.22 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.11 2ayx n MET 919 Cb 0.80 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.31 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 -4.63 7.83 2.03 -0.20 -2.58 116.55 119.00 2ayx n ASP 920 Ca 0.00 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.01 2ayx n ASP 920 Cb 0.00 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.31 2ayx n ASP 920 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2ayx s SER 921 N 0.00 3.80 -0.02 1.67 1.04 -1.01 -5.01 113.70 114.18 2ayx s SER 921 Ca 0.00 -1.56 0.01 0.00 0.48 0.00 0.00 55.95 54.88 2ayx s SER 921 Cb 0.00 0.21 0.01 0.00 0.10 0.00 0.00 66.02 66.34 2ayx s SER 921 CO 0.00 -0.73 -0.02 0.00 0.98 0.00 0.00 173.24 173.47 2ayx s LEU 923 N 0.42 2.77 -0.07 0.00 1.43 -0.00 -4.89 118.68 118.33 2ayx s LEU 923 Ca -0.04 -1.29 -0.16 0.00 -1.03 0.00 0.00 54.13 51.61 2ayx s LEU 923 Cb -0.07 -0.90 -0.05 0.00 0.03 0.00 0.00 46.19 45.19 2ayx s LEU 923 CO -0.01 -0.35 0.41 -0.44 0.23 0.00 0.00 176.35 176.19 2ayx s SER 924 N -3.64 6.70 0.26 2.29 0.01 -1.26 -0.84 113.70 117.22 2ayx s SER 924 Ca 0.34 0.83 -0.01 0.00 1.31 0.00 0.00 55.95 58.41 2ayx s SER 924 Cb 0.06 -2.25 0.57 0.00 0.21 0.00 0.00 66.02 64.62 2ayx s SER 924 CO 0.17 0.18 1.70 0.11 0.41 0.00 0.00 173.24 175.81 2ayx h LYS 925 N 5.71 0.36 -5.06 12.44 1.57 -1.33 -3.27 116.57 126.98 2ayx h LYS 925 Ca -0.46 -0.02 -0.38 0.00 -1.87 0.00 0.00 60.65 57.92 2ayx h LYS 925 Cb 1.20 -0.08 0.02 0.00 0.08 0.00 0.00 32.23 33.45 2ayx h LYS 925 CO 0.68 0.24 1.18 -2.30 -0.57 0.00 0.00 179.45 178.68 2ayx n PRO 926 N -5.08 0.96 -2.74 3.15 -0.02 -1.26 -4.92 135.00 125.09 2ayx n PRO 926 Ca 0.17 -1.89 -0.27 0.00 -2.02 0.00 0.00 63.50 59.49 2ayx n PRO 926 Cb 0.53 -3.37 -0.01 0.00 -0.02 0.00 0.00 33.50 30.63 2ayx n PRO 926 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2ayx s VAL 927 N 10.37 4.92 0.32 -1.45 0.11 -1.23 -5.11 120.40 128.33 2ayx s VAL 927 Ca 0.69 0.17 0.03 0.00 -2.93 0.00 0.00 61.98 59.94 2ayx s VAL 927 Cb 0.05 -3.85 -0.05 0.00 -1.53 0.00 0.00 36.38 31.00 2ayx s VAL 927 CO 0.18 -0.78 0.11 0.42 -3.33 0.00 0.00 175.10 171.70 2ayx s THR 928 N -2.66 0.69 0.10 5.04 -4.23 -1.26 -5.00 115.64 108.32 2ayx s THR 928 Ca 0.47 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.77 2ayx s THR 928 Cb -0.10 -2.58 -0.09 0.00 1.34 0.00 0.00 72.50 71.06 2ayx s THR 928 CO 0.43 0.00 1.69 0.25 -0.54 0.00 0.00 174.62 176.45 2ayx h LEU 929 N 2.13 0.20 -0.13 4.79 7.12 -1.98 0.86 115.31 128.29 2ayx h LEU 929 Ca -0.37 -0.09 -0.21 0.00 0.13 0.00 0.00 57.88 57.34 2ayx h LEU 929 Cb 1.25 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 41.32 2ayx h LEU 929 CO 0.60 0.23 -0.98 -0.78 -0.13 0.00 0.00 178.44 177.39 2ayx h ASP 930 N 0.15 0.18 0.24 1.25 1.82 -1.98 -1.23 116.42 116.85 2ayx h ASP 930 Ca 0.06 -0.17 -0.21 0.00 -0.39 0.00 0.00 57.03 56.32 2ayx h ASP 930 Cb 0.08 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.03 2ayx h ASP 930 CO -0.01 1.05 -0.85 0.58 -1.61 0.00 0.00 179.24 178.40 2ayx h VAL 931 N 0.05 1.37 -0.21 2.25 2.07 -1.96 0.27 116.25 120.10 2ayx h VAL 931 Ca -0.05 -2.27 -0.12 0.00 0.82 0.00 0.00 66.70 65.08 2ayx h VAL 931 Cb 1.66 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 33.68 2ayx h VAL 931 CO 0.14 0.69 -0.38 -0.29 0.02 0.00 0.00 177.57 177.75 2ayx h ILE 932 N 0.29 1.30 -0.35 4.57 -0.00 -0.82 -1.45 117.51 121.04 2ayx h ILE 932 Ca -0.06 -1.51 -0.01 0.00 -0.00 0.00 0.00 64.86 63.28 2ayx h ILE 932 Cb 1.47 1.56 -0.02 0.00 -0.00 0.00 0.00 36.82 39.83 2ayx h ILE 932 CO 0.15 0.47 0.19 0.50 -0.00 0.00 0.00 178.15 179.46 2ayx h LYS 933 N 0.39 0.50 0.37 2.19 3.11 -1.03 -0.17 116.57 121.92 2ayx h LYS 933 Ca 0.04 -0.06 -0.00 0.00 -2.81 0.00 0.00 60.65 57.81 2ayx h LYS 933 Cb 0.84 -0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.95 2ayx h LYS 933 CO 0.07 0.43 -0.44 1.96 -2.81 0.00 0.00 179.45 178.66 2ayx h GLN 934 N 0.44 -0.81 0.01 1.90 1.08 -0.65 0.31 115.11 117.40 2ayx h GLN 934 Ca 0.12 0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.39 2ayx h GLN 934 Cb 0.08 0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 2ayx h GLN 934 CO -0.02 -0.54 -0.10 1.15 -0.95 0.00 0.00 178.83 178.37 2ayx h THR 935 N -0.84 0.75 -0.39 -0.54 2.02 -1.21 -0.18 112.91 112.52 2ayx h THR 935 Ca -0.03 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 2ayx h THR 935 Cb 0.76 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 2ayx h THR 935 CO -0.11 0.00 0.21 0.25 0.37 0.00 0.00 175.52 176.24 2ayx h LEU 936 N -0.18 0.49 -0.81 2.58 5.85 -0.96 -1.00 115.31 121.29 2ayx h LEU 936 Ca 0.04 -0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 2ayx h LEU 936 Cb 0.22 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2ayx h LEU 936 CO -0.09 0.44 -0.22 0.74 -0.34 0.00 0.00 178.44 178.97 2ayx h THR 937 N 0.49 1.27 -0.19 1.05 2.02 -0.80 0.65 112.91 117.40 2ayx h THR 937 Ca 0.14 -1.29 -0.17 0.00 0.77 0.00 0.00 66.41 65.86 2ayx h THR 937 Cb 0.06 1.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2ayx h THR 937 CO -0.02 0.42 -0.57 0.25 0.37 0.00 0.00 175.52 175.97 2ayx h LEU 938 N 0.58 0.66 0.00 2.58 5.85 -0.73 -2.22 115.31 122.03 2ayx h LEU 938 Ca 0.09 -0.36 -0.15 0.00 0.84 0.00 0.00 57.88 58.30 2ayx h LEU 938 Cb 0.69 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 2ayx h LEU 938 CO 0.05 1.08 -1.10 1.88 -0.34 0.00 0.00 178.44 180.01 2ayx h TYR 939 N 0.45 0.00 -0.52 1.25 0.05 -1.06 -1.71 116.97 115.42 2ayx h TYR 939 Ca 0.00 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.66 2ayx h TYR 939 Cb 1.12 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.85 2ayx h TYR 939 CO 0.05 0.56 -0.15 0.00 -1.05 0.00 0.00 178.16 177.57 2ayx h ALA 940 N 1.44 0.75 0.00 3.88 0.00 -0.86 -1.95 119.26 122.50 2ayx h ALA 940 Ca -0.10 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 2ayx h ALA 940 Cb 1.52 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2ayx h ALA 940 CO 0.05 0.67 -0.50 1.05 0.00 0.00 0.00 179.25 180.53 2ayx h GLU 941 N 0.89 0.00 -0.06 0.00 4.11 -1.45 -2.36 114.58 115.72 2ayx h GLU 941 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.56 2ayx h GLU 941 Cb 0.72 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 2ayx h GLU 941 CO 0.06 0.50 0.04 -0.09 0.07 0.00 0.00 179.01 179.58 2ayx h ARG 942 N 0.00 0.08 -0.04 1.06 9.65 -0.77 0.55 114.38 124.91 2ayx h ARG 942 Ca -0.00 -0.01 -0.15 0.00 -1.10 0.00 0.00 59.98 58.72 2ayx h ARG 942 Cb 1.01 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.56 2ayx h ARG 942 CO 0.06 0.08 -0.63 -0.39 2.80 0.00 0.00 179.97 181.89 2ayx h VAL 943 N 0.05 1.42 -0.40 0.20 -1.51 -1.39 -2.11 116.25 112.50 2ayx h VAL 943 Ca 0.02 -2.08 -0.08 0.00 -1.23 0.00 0.00 66.70 63.33 2ayx h VAL 943 Cb 0.02 2.09 -0.02 0.00 -2.13 0.00 0.00 31.29 31.25 2ayx h VAL 943 CO -0.00 0.61 -0.07 -0.09 -1.23 0.00 0.00 177.57 176.79 2ayx h ARG 944 N 0.11 0.69 0.00 5.19 1.12 -0.97 -0.34 114.38 120.19 2ayx h ARG 944 Ca -0.01 -0.20 -0.09 0.00 -1.11 0.00 0.00 59.98 58.58 2ayx h ARG 944 Cb 1.14 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 31.01 2ayx h ARG 944 CO 0.09 0.75 -0.76 1.57 -3.11 0.00 0.00 179.97 178.51 2ayx h LYS 945 N 0.63 0.00 -0.19 0.20 2.10 -0.85 0.68 116.57 119.14 2ayx h LYS 945 Ca 0.12 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.56 2ayx h LYS 945 Cb 0.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 2ayx h LYS 945 CO 0.03 0.27 -0.69 0.77 -2.00 0.00 0.00 179.45 177.83 2ayx h SER 946 N 0.00 0.88 0.78 7.07 0.02 -1.00 -3.22 113.55 118.08 2ayx h SER 946 Ca -0.05 -0.54 -0.25 0.00 -0.84 0.00 0.00 61.79 60.12 2ayx h SER 946 Cb 1.31 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.55 2ayx h SER 946 CO 0.04 1.32 -1.30 0.03 -1.14 0.00 0.00 176.83 175.78 2ayx h ARG 947 N 0.54 0.00 -5.40 3.45 3.08 -1.14 -3.49 114.38 111.42 2ayx h ARG 947 Ca -0.03 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 2ayx h ARG 947 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2ayx h ARG 947 CO 0.14 0.79 -0.42 -0.25 -1.07 0.00 0.00 179.97 179.16 2ayx n ASP 948 N -3.22 -7.74 0.00 7.04 8.00 0.22 -5.09 116.55 115.76 2ayx n ASP 948 Ca -0.07 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.75 2ayx n ASP 948 Cb 0.99 -5.13 0.00 0.00 -0.02 0.00 0.00 41.12 36.96 2ayx n ASP 948 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61