#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ayy n GLY 697 N 0.00 3.96 3.59 3.03 0.00 -1.26 -5.17 105.19 109.34 2ayy n GLY 697 Ca 0.00 -1.65 -0.12 0.00 0.00 0.00 0.00 46.02 44.25 2ayy n GLY 697 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ayy s GLY 698 N 0.00 1.05 -0.02 -0.02 0.00 -1.26 -5.16 107.32 101.91 2ayy s GLY 698 Ca 0.00 -1.22 -0.14 0.00 0.00 0.00 0.00 44.72 43.37 2ayy s GLY 698 CO 0.00 -0.76 0.36 -1.35 0.00 0.00 0.00 173.10 171.35 2ayy s SER 699 N -3.16 6.73 0.35 1.64 1.04 -1.26 -5.09 113.70 113.95 2ayy s SER 699 Ca 0.25 0.87 0.06 0.00 0.48 0.00 0.00 55.95 57.62 2ayy s SER 699 Cb -0.02 -2.22 -0.07 0.00 0.10 0.00 0.00 66.02 63.81 2ayy s SER 699 CO 0.16 0.33 0.00 -0.83 0.98 0.00 0.00 173.24 173.88 2ayy s GLY 700 N -1.00 2.21 0.23 7.32 0.00 -1.26 -5.16 107.32 109.65 2ayy s GLY 700 Ca 0.22 -2.13 0.09 0.00 0.00 0.00 0.00 44.72 42.90 2ayy s GLY 700 CO 0.12 -1.95 -0.00 0.54 0.00 0.00 0.00 173.10 171.80 2ayy s VAL 701 N -2.95 3.56 0.47 1.40 0.11 -1.26 -5.14 120.40 116.59 2ayy s VAL 701 Ca 0.34 -1.70 0.07 0.00 -2.93 0.00 0.00 61.98 57.76 2ayy s VAL 701 Cb 0.08 -2.85 0.00 0.00 -1.53 0.00 0.00 36.38 32.08 2ayy s VAL 701 CO 0.16 -0.26 0.39 -1.61 -3.33 0.00 0.00 175.10 170.45 2ayy s GLU 702 N -3.35 2.39 -0.25 1.54 2.02 -1.26 -5.12 118.70 114.67 2ayy s GLU 702 Ca 0.29 -1.74 -0.01 0.00 0.02 0.00 0.00 54.97 53.54 2ayy s GLU 702 Cb -0.08 -2.25 0.07 0.00 0.10 0.00 0.00 34.13 31.97 2ayy s GLU 702 CO 0.19 -0.37 0.02 0.20 0.02 0.00 0.00 175.26 175.32 2ayy s GLY 703 N -4.18 1.09 -0.16 -1.39 0.00 -1.26 -5.12 107.32 96.30 2ayy s GLY 703 Ca 0.43 -1.29 -0.07 0.00 0.00 0.00 0.00 44.72 43.79 2ayy s GLY 703 CO 0.26 1.25 0.10 1.08 0.00 0.00 0.00 173.10 175.78 2ayy s LEU 704 N 1.57 4.06 -0.06 0.66 2.01 -1.26 -5.08 118.68 120.57 2ayy s LEU 704 Ca 0.00 0.24 -0.20 0.00 0.01 0.00 0.00 54.13 54.19 2ayy s LEU 704 Cb -0.18 -2.01 -0.05 0.00 0.01 0.00 0.00 46.19 43.96 2ayy s LEU 704 CO -0.11 0.27 0.55 -0.44 1.01 0.00 0.00 176.35 177.62 2ayy s SER 705 N -0.17 6.84 0.00 2.29 0.01 -1.26 -5.08 113.70 116.33 2ayy s SER 705 Ca 0.09 1.00 0.00 0.00 1.31 0.00 0.00 55.95 58.35 2ayy s SER 705 Cb -0.12 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2ayy s SER 705 CO 0.01 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.31 2ayy n GLY 706 N 2.86 0.50 3.85 3.44 0.00 -1.26 -5.06 105.19 109.52 2ayy n GLY 706 Ca -0.07 -1.67 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 2ayy n GLY 706 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ayy s LYS 707 N 0.88 3.98 0.17 1.61 -2.85 -1.26 -4.98 119.74 117.29 2ayy s LYS 707 Ca 0.00 0.78 0.10 0.00 -1.00 0.00 0.00 55.97 55.85 2ayy s LYS 707 Cb 0.00 -2.30 -0.04 0.00 -2.06 0.00 0.00 37.83 33.43 2ayy s LYS 707 CO 0.00 -0.03 -0.23 1.03 0.10 0.00 0.00 175.35 176.22 2ayy s ARG 708 N -3.50 1.40 -0.00 1.78 1.81 -1.26 -2.34 118.95 116.84 2ayy s ARG 708 Ca 0.56 -1.44 -0.06 0.00 -1.72 0.00 0.00 55.73 53.08 2ayy s ARG 708 Cb -0.10 -1.67 -0.00 0.00 -0.45 0.00 0.00 34.95 32.73 2ayy s ARG 708 CO 0.23 0.36 0.11 0.00 -0.68 0.00 0.00 175.30 175.32 2ayy s TRP 710 N -1.19 2.73 -0.10 0.00 0.52 -0.30 -0.52 118.94 120.08 2ayy s TRP 710 Ca -0.13 -0.28 0.02 0.00 0.02 0.00 0.00 56.10 55.73 2ayy s TRP 710 Cb -0.07 -1.68 0.01 0.00 -1.15 0.00 0.00 33.47 30.58 2ayy s TRP 710 CO 0.01 0.09 -0.15 -0.48 0.02 0.00 0.00 176.95 176.44 2ayy s LEU 711 N -0.46 1.73 -0.49 2.99 2.34 -0.12 -0.70 118.68 123.97 2ayy s LEU 711 Ca 0.06 -0.40 0.08 0.00 0.06 0.00 0.00 54.13 53.92 2ayy s LEU 711 Cb -0.12 -1.05 0.36 0.00 -0.56 0.00 0.00 46.19 44.82 2ayy s LEU 711 CO 0.02 0.03 0.90 0.00 -1.06 0.00 0.00 176.35 176.24 2ayy n ALA 712 N 4.03 3.88 -2.62 1.48 0.00 0.41 -0.79 120.51 126.90 2ayy n ALA 712 Ca -0.20 -4.22 -0.40 0.00 0.00 0.00 0.00 53.44 48.63 2ayy n ALA 712 Cb 0.52 -0.78 -0.08 0.00 0.00 0.00 0.00 19.45 19.11 2ayy n ALA 712 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ayy s VAL 713 N -3.91 5.09 0.17 0.00 1.01 -1.25 -2.36 120.40 119.14 2ayy s VAL 713 Ca 0.45 0.84 -0.02 0.00 0.00 0.00 0.00 61.98 63.26 2ayy s VAL 713 Cb 0.32 -3.81 -0.13 0.00 0.00 0.00 0.00 36.38 32.76 2ayy s VAL 713 CO -0.12 0.11 1.40 0.03 0.00 0.00 0.00 175.10 176.52 2ayy h ARG 714 N 7.95 0.38 -5.72 2.72 2.47 -1.95 -3.40 114.38 116.83 2ayy h ARG 714 Ca -0.30 -0.34 -0.33 0.00 -1.26 0.00 0.00 59.98 57.75 2ayy h ARG 714 Cb 1.15 0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 29.52 2ayy h ARG 714 CO 0.71 0.99 0.90 -0.80 0.56 0.00 0.00 179.97 182.33 2ayy s ASN 715 N -6.99 4.89 0.32 7.04 0.01 -1.26 -4.83 114.94 114.12 2ayy s ASN 715 Ca -0.05 -0.06 0.02 0.00 -0.71 0.00 0.00 52.86 52.06 2ayy s ASN 715 Cb 0.10 -2.54 0.60 0.00 0.41 0.00 0.00 41.25 39.82 2ayy s ASN 715 CO 0.84 -2.84 1.92 0.00 -1.51 0.00 0.00 177.10 175.51 2ayy h ALA 716 N 13.54 1.58 -0.35 0.60 0.00 -1.99 0.12 119.26 132.77 2ayy h ALA 716 Ca -0.06 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.85 2ayy h ALA 716 Cb 1.08 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2ayy h ALA 716 CO 1.17 0.29 0.17 0.66 0.00 0.00 0.00 179.25 181.54 2ayy h SER 717 N 0.94 0.26 -0.17 0.00 4.64 -1.95 0.09 113.55 117.36 2ayy h SER 717 Ca 0.37 0.02 -0.18 0.00 -0.47 0.00 0.00 61.79 61.53 2ayy h SER 717 Cb 0.24 -0.03 0.01 0.00 -0.31 0.00 0.00 62.40 62.30 2ayy h SER 717 CO -0.14 0.19 -0.58 0.25 -0.87 0.00 0.00 176.83 175.68 2ayy h LEU 718 N 0.36 0.81 -0.64 5.97 7.12 -1.71 -2.70 115.31 124.51 2ayy h LEU 718 Ca 0.14 -0.60 0.03 0.00 0.13 0.00 0.00 57.88 57.59 2ayy h LEU 718 Cb 0.05 -0.24 -0.04 0.00 -0.53 0.00 0.00 40.66 39.90 2ayy h LEU 718 CO -0.10 1.27 0.38 0.00 -0.13 0.00 0.00 178.44 179.86 2ayy h GLN 720 N 0.75 0.55 -0.20 0.00 1.08 -1.00 -1.91 115.11 114.39 2ayy h GLN 720 Ca 0.26 -0.26 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 2ayy h GLN 720 Cb 0.06 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 2ayy h GLN 720 CO -0.12 0.84 0.05 0.35 -0.95 0.00 0.00 178.83 179.00 2ayy h PHE 721 N 0.26 0.33 -0.39 2.96 3.57 -1.22 -2.51 116.94 119.95 2ayy h PHE 721 Ca 0.05 -0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.39 2ayy h PHE 721 Cb 0.70 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 2ayy h PHE 721 CO 0.07 0.43 -0.25 1.37 -2.23 0.00 0.00 178.31 177.70 2ayy h LEU 722 N 0.13 0.81 -0.36 0.59 8.10 -1.17 -2.26 115.31 121.16 2ayy h LEU 722 Ca 0.06 -0.30 -0.07 0.00 0.11 0.00 0.00 57.88 57.68 2ayy h LEU 722 Cb 0.27 -0.22 -0.01 0.00 -0.44 0.00 0.00 40.66 40.25 2ayy h LEU 722 CO 0.00 1.02 -0.05 1.05 -4.11 0.00 0.00 178.44 176.35 2ayy h GLU 723 N 0.68 0.67 -0.19 0.17 -0.00 -1.28 -0.68 114.58 113.95 2ayy h GLU 723 Ca 0.09 -0.24 -0.13 0.00 -0.00 0.00 0.00 59.36 59.09 2ayy h GLU 723 Cb 0.77 -0.05 -0.01 0.00 -0.00 0.00 0.00 28.75 29.46 2ayy h GLU 723 CO 0.06 0.80 -0.42 1.15 -0.00 0.00 0.00 179.01 180.60 2ayy h THR 724 N 0.47 1.31 -0.45 -1.06 2.02 -1.42 0.11 112.91 113.89 2ayy h THR 724 Ca 0.10 -1.59 -0.07 0.00 0.77 0.00 0.00 66.41 65.62 2ayy h THR 724 Cb 0.53 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 2ayy h THR 724 CO 0.03 0.49 0.01 0.28 0.37 0.00 0.00 175.52 176.70 2ayy h SER 725 N 0.37 0.77 -0.45 4.18 0.02 -1.24 -2.63 113.55 114.57 2ayy h SER 725 Ca 0.03 -0.30 -0.14 0.00 -0.84 0.00 0.00 61.79 60.53 2ayy h SER 725 Cb 0.90 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 2ayy h SER 725 CO 0.08 0.88 -0.28 0.25 -1.14 0.00 0.00 176.83 176.62 2ayy h LEU 726 N 0.63 1.02 -1.83 5.07 5.85 -0.87 -2.94 115.31 122.24 2ayy h LEU 726 Ca 0.13 -0.42 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 2ayy h LEU 726 Cb 0.48 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 2ayy h LEU 726 CO 0.02 1.22 -0.12 1.56 -0.34 0.00 0.00 178.44 180.78 2ayy h GLN 727 N 0.83 0.00 0.00 1.25 4.20 -0.92 -1.42 115.11 119.05 2ayy h GLN 727 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2ayy h GLN 727 Cb 0.87 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.65 2ayy h GLN 727 CO 0.08 0.12 0.00 0.54 -0.67 0.00 0.00 178.83 178.90 2ayy n ARG 728 N -3.56 0.09 0.00 1.46 5.12 -1.00 -1.25 116.66 117.53 2ayy n ARG 728 Ca -0.01 0.17 0.12 0.00 -1.93 0.00 0.00 57.85 56.20 2ayy n ARG 728 Cb 0.26 -1.50 0.20 0.00 -1.16 0.00 0.00 32.46 30.26 2ayy n ARG 728 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2ayy n SER 729 N -1.42 1.74 0.00 0.55 2.88 -0.54 -4.93 113.62 111.90 2ayy n SER 729 Ca 0.06 -1.35 0.00 0.00 -1.33 0.00 0.00 58.87 56.24 2ayy n SER 729 Cb 0.18 0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 2ayy n SER 729 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ayy n GLY 730 N 1.36 0.69 3.69 0.46 0.00 -0.38 -5.05 105.19 105.96 2ayy n GLY 730 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2ayy n GLY 730 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ayy s ILE 731 N -2.38 4.88 -0.74 -0.61 1.01 -1.23 -4.70 121.20 117.44 2ayy s ILE 731 Ca 0.00 1.75 -0.23 0.00 0.00 0.00 0.00 60.65 62.17 2ayy s ILE 731 Cb 0.00 -4.18 0.07 0.00 0.01 0.00 0.00 42.46 38.35 2ayy s ILE 731 CO 0.00 0.07 1.08 0.54 0.00 0.00 0.00 174.94 176.63 2ayy s VAL 732 N 1.80 4.23 -0.03 2.92 0.11 -0.99 -3.87 120.40 124.56 2ayy s VAL 732 Ca 0.42 -0.40 -0.21 0.00 -2.93 0.00 0.00 61.98 58.87 2ayy s VAL 732 Cb -0.18 -4.77 -0.05 0.00 -1.53 0.00 0.00 36.38 29.85 2ayy s VAL 732 CO 0.16 -1.58 0.60 0.54 -3.33 0.00 0.00 175.10 171.49 2ayy s VAL 733 N 4.29 4.97 0.03 2.04 0.11 -1.26 -2.34 120.40 128.25 2ayy s VAL 733 Ca 0.28 1.24 0.07 0.00 -2.93 0.00 0.00 61.98 60.64 2ayy s VAL 733 Cb -0.12 -3.93 -0.02 0.00 -1.53 0.00 0.00 36.38 30.77 2ayy s VAL 733 CO 0.07 0.37 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.12 2ayy s THR 734 N 0.10 1.62 0.01 5.04 2.01 0.32 -4.95 115.64 119.80 2ayy s THR 734 Ca 0.31 -1.13 -0.30 0.00 0.31 0.00 0.00 61.69 60.88 2ayy s THR 734 Cb -0.18 -1.40 -0.07 0.00 0.01 0.00 0.00 72.50 70.86 2ayy s THR 734 CO 0.16 0.23 1.59 -0.89 -0.69 0.00 0.00 174.62 175.02 2ayy s THR 735 N -0.75 3.40 -1.11 -0.82 2.01 -1.26 -0.95 115.64 116.17 2ayy s THR 735 Ca 0.07 0.72 -0.22 0.00 0.31 0.00 0.00 61.69 62.57 2ayy s THR 735 Cb -0.09 -3.46 0.02 0.00 0.01 0.00 0.00 72.50 68.98 2ayy s THR 735 CO 0.01 -0.02 1.68 -0.47 -0.69 0.00 0.00 174.62 175.13 2ayy s TYR 736 N 3.06 2.42 -0.54 4.92 5.04 0.03 -4.83 117.35 127.45 2ayy s TYR 736 Ca 0.71 -0.68 0.00 0.00 -2.44 0.00 0.00 57.07 54.66 2ayy s TYR 736 Cb -0.35 -4.52 0.14 0.00 0.35 0.00 0.00 41.96 37.57 2ayy s TYR 736 CO 0.30 -1.78 0.32 -1.21 -1.34 0.00 0.00 175.55 171.84 2ayy s GLU 737 N 5.27 2.21 -1.25 4.97 0.41 -1.26 -4.73 118.70 124.31 2ayy s GLU 737 Ca 0.55 -2.45 -0.06 0.00 -0.41 0.00 0.00 54.97 52.60 2ayy s GLU 737 Cb 0.00 -3.53 0.01 0.00 -1.78 0.00 0.00 34.13 28.83 2ayy s GLU 737 CO -0.00 -1.12 0.75 0.41 -0.49 0.00 0.00 175.26 174.81 2ayy n GLY 738 N 3.51 -0.34 0.76 -1.39 0.00 -1.26 -5.01 105.19 101.47 2ayy n GLY 738 Ca 0.06 0.05 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 2ayy n GLY 738 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ayy n GLN 739 N -3.93 1.18 -4.38 1.61 1.13 -1.26 -5.14 117.38 106.59 2ayy n GLN 739 Ca -0.05 -0.66 -0.27 0.00 -1.94 0.00 0.00 57.00 54.08 2ayy n GLN 739 Cb 0.58 0.03 -0.11 0.00 0.11 0.00 0.00 30.24 30.85 2ayy n GLN 739 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2ayy s GLU 740 N -2.48 1.67 0.50 -1.09 2.02 -1.26 -5.13 118.70 112.93 2ayy s GLU 740 Ca 0.08 -1.41 -0.17 0.00 0.02 0.00 0.00 54.97 53.49 2ayy s GLU 740 Cb -0.01 -1.95 -0.08 0.00 0.10 0.00 0.00 34.13 32.19 2ayy s GLU 740 CO 0.05 0.42 0.98 -1.25 0.02 0.00 0.00 175.26 175.48 2ayy s PRO 741 N -2.61 3.99 0.02 0.39 0.04 -1.26 -5.10 135.00 130.48 2ayy s PRO 741 Ca 0.21 0.98 0.05 0.00 0.04 0.00 0.00 61.00 62.28 2ayy s PRO 741 Cb -0.09 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 2ayy s PRO 741 CO 0.11 -0.23 -0.14 0.99 0.04 0.00 0.00 177.00 177.77 2ayy s THR 742 N -2.55 1.09 -1.66 1.26 2.01 -1.26 -4.88 115.64 109.65 2ayy s THR 742 Ca 0.59 -0.86 0.09 0.00 0.31 0.00 0.00 61.69 61.82 2ayy s THR 742 Cb -0.10 -0.96 0.19 0.00 0.01 0.00 0.00 72.50 71.64 2ayy s THR 742 CO 0.28 0.09 1.08 -2.65 -0.69 0.00 0.00 174.62 172.74 2ayy n PRO 743 N 2.17 0.18 -0.00 4.92 -0.02 -1.26 -2.66 135.00 138.33 2ayy n PRO 743 Ca -0.17 0.12 0.05 0.00 -2.02 0.00 0.00 63.50 61.48 2ayy n PRO 743 Cb 0.55 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.46 2ayy n PRO 743 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2ayy n GLU 744 N -1.17 0.43 -3.69 -0.52 -0.58 -1.26 -3.11 120.64 110.74 2ayy n GLU 744 Ca 0.05 -0.08 -0.23 0.00 -0.42 0.00 0.00 57.16 56.48 2ayy n GLU 744 Cb 0.05 -1.20 -0.02 0.00 -0.57 0.00 0.00 31.44 29.70 2ayy n GLU 744 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 2ayy s ASP 745 N -2.99 4.86 0.08 1.62 1.47 -1.09 -4.77 116.67 115.85 2ayy s ASP 745 Ca -0.03 -0.93 0.09 0.00 1.18 0.00 0.00 52.55 52.85 2ayy s ASP 745 Cb 0.06 -0.23 -0.03 0.00 -0.34 0.00 0.00 42.92 42.38 2ayy s ASP 745 CO 0.38 -0.81 -0.23 0.68 0.68 0.00 0.00 175.17 175.87 2ayy s VAL 746 N -2.58 1.85 -0.48 2.11 -7.23 -1.26 -2.13 120.40 110.68 2ayy s VAL 746 Ca 0.44 -1.44 -0.14 0.00 -1.81 0.00 0.00 61.98 59.03 2ayy s VAL 746 Cb -0.02 -1.64 0.10 0.00 0.56 0.00 0.00 36.38 35.38 2ayy s VAL 746 CO 0.26 0.12 0.39 -0.22 -0.31 0.00 0.00 175.10 175.34 2ayy s LEU 747 N -1.59 5.70 -0.50 1.32 0.20 -0.85 -1.15 118.68 121.80 2ayy s LEU 747 Ca 0.09 -1.56 -0.24 0.00 0.69 0.00 0.00 54.13 53.11 2ayy s LEU 747 Cb -0.10 -2.13 0.04 0.00 -0.43 0.00 0.00 46.19 43.57 2ayy s LEU 747 CO 0.03 -0.69 0.87 -0.63 -0.29 0.00 0.00 176.35 175.64 2ayy s ILE 748 N 1.55 4.52 0.23 6.68 1.01 0.13 -0.85 121.20 134.46 2ayy s ILE 748 Ca 0.04 0.33 0.11 0.00 0.00 0.00 0.00 60.65 61.14 2ayy s ILE 748 Cb -0.26 -4.44 -0.05 0.00 0.01 0.00 0.00 42.46 37.73 2ayy s ILE 748 CO 0.04 -0.93 -0.22 0.42 0.00 0.00 0.00 174.94 174.25 2ayy s THR 749 N 3.61 2.36 -0.01 2.92 -4.23 0.39 -0.45 115.64 120.24 2ayy s THR 749 Ca 0.30 -2.18 -0.05 0.00 -1.18 0.00 0.00 61.69 58.58 2ayy s THR 749 Cb -0.13 -2.18 0.00 0.00 1.34 0.00 0.00 72.50 71.54 2ayy s THR 749 CO 0.21 -0.25 0.10 -0.62 -0.54 0.00 0.00 174.62 173.52 2ayy s ASP 750 N -3.02 0.01 1.18 3.99 2.15 -1.00 -0.87 116.67 119.12 2ayy s ASP 750 Ca 0.24 -0.11 0.00 0.00 0.43 0.00 0.00 52.55 53.11 2ayy s ASP 750 Cb -0.06 0.20 0.00 0.00 -0.30 0.00 0.00 42.92 42.76 2ayy s ASP 750 CO 0.12 -0.25 0.00 -0.62 -0.17 0.00 0.00 175.17 174.25 2ayy n GLU 751 N 2.01 0.00 -3.23 4.34 1.02 -0.97 -4.01 120.64 119.79 2ayy n GLU 751 Ca -0.19 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.50 2ayy n GLU 751 Cb 0.57 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.92 2ayy n GLU 751 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2ayy s VAL 752 N 0.00 5.00 -0.44 2.62 0.11 -1.26 -4.89 120.40 121.53 2ayy s VAL 752 Ca 0.00 -0.78 0.05 0.00 -2.93 0.00 0.00 61.98 58.33 2ayy s VAL 752 Cb 0.00 -4.27 0.19 0.00 -1.53 0.00 0.00 36.38 30.77 2ayy s VAL 752 CO 0.00 -0.77 0.51 1.33 -3.33 0.00 0.00 175.10 172.84 2ayy n VAL 753 N 5.46 -0.74 -1.70 2.04 0.24 -1.26 -5.05 118.33 117.32 2ayy n VAL 753 Ca -0.09 -2.68 -0.42 0.00 -2.04 0.00 0.00 64.34 59.11 2ayy n VAL 753 Cb 0.44 -0.73 -0.01 0.00 -1.47 0.00 0.00 33.84 32.07 2ayy n VAL 753 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2ayy n SER 754 N 2.63 3.70 -4.01 -1.34 7.64 -1.26 -4.86 113.62 116.11 2ayy n SER 754 Ca 0.24 -2.81 -0.29 0.00 1.01 0.00 0.00 58.87 57.02 2ayy n SER 754 Cb 0.52 -1.57 -0.17 0.00 -1.01 0.00 0.00 64.21 61.98 2ayy n SER 754 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2ayy s LYS 755 N 3.67 2.10 -0.15 1.43 0.00 -1.26 -5.09 119.74 120.44 2ayy s LYS 755 Ca 0.50 -0.50 -0.29 0.00 0.00 0.00 0.00 55.97 55.68 2ayy s LYS 755 Cb 0.13 -1.89 -0.01 0.00 0.00 0.00 0.00 37.83 36.06 2ayy s LYS 755 CO -0.03 -0.16 1.00 0.21 0.00 0.00 0.00 175.35 176.37 2ayy s LYS 756 N 1.28 4.36 -0.65 1.78 2.36 -1.26 -4.95 119.74 122.65 2ayy s LYS 756 Ca -0.01 1.35 -0.23 0.00 -2.55 0.00 0.00 55.97 54.53 2ayy s LYS 756 Cb -0.14 -3.57 0.07 0.00 -1.05 0.00 0.00 37.83 33.14 2ayy s LYS 756 CO -0.06 -0.41 0.96 -0.46 1.55 0.00 0.00 175.35 176.93 2ayy s TRP 757 N 2.38 2.69 -1.46 4.03 -0.11 -1.26 -4.92 118.94 120.29 2ayy s TRP 757 Ca 0.46 -0.53 -0.10 0.00 1.22 0.00 0.00 56.10 57.15 2ayy s TRP 757 Cb -0.17 -4.27 0.04 0.00 -1.50 0.00 0.00 33.47 27.56 2ayy s TRP 757 CO 0.14 -1.63 2.43 0.94 -4.62 0.00 0.00 176.95 174.21 2ayy n GLN 758 N 7.67 3.58 0.00 5.86 -0.06 -1.26 -4.79 117.38 128.38 2ayy n GLN 758 Ca -0.04 -2.80 0.00 0.00 -2.00 0.00 0.00 57.00 52.17 2ayy n GLN 758 Cb 0.45 -2.95 0.00 0.00 -4.06 0.00 0.00 30.24 23.69 2ayy n GLN 758 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2ayy n GLY 759 N 3.27 4.82 0.10 1.69 0.00 -1.26 -4.08 105.19 109.73 2ayy n GLY 759 Ca 0.60 -0.57 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 2ayy n GLY 759 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2ayy h ARG 760 N 0.00 -0.13 -2.68 1.61 9.65 -1.35 -3.43 114.38 118.05 2ayy h ARG 760 Ca 0.00 0.01 0.06 0.00 -1.10 0.00 0.00 59.98 58.94 2ayy h ARG 760 Cb 0.00 0.03 -0.12 0.00 -1.39 0.00 0.00 29.97 28.49 2ayy h ARG 760 CO 0.00 -0.06 0.34 0.00 2.80 0.00 0.00 179.97 183.05 2ayy s ALA 761 N -2.89 -1.64 0.14 2.80 0.00 -1.24 -4.97 121.76 113.96 2ayy s ALA 761 Ca -0.03 0.55 0.10 0.00 0.00 0.00 0.00 51.96 52.58 2ayy s ALA 761 Cb 0.00 0.69 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 2ayy s ALA 761 CO 0.08 -0.80 -0.23 0.08 0.00 0.00 0.00 175.76 174.90 2ayy s VAL 762 N -3.50 2.52 -0.34 0.00 1.01 -1.05 -2.02 120.40 117.02 2ayy s VAL 762 Ca 0.05 -1.74 -0.01 0.00 0.00 0.00 0.00 61.98 60.28 2ayy s VAL 762 Cb -0.02 -2.16 0.12 0.00 0.00 0.00 0.00 36.38 34.33 2ayy s VAL 762 CO -0.08 0.03 0.18 -0.69 0.00 0.00 0.00 175.10 174.55 2ayy s VAL 763 N -1.26 0.21 -0.12 2.92 1.01 -0.03 -0.56 120.40 122.57 2ayy s VAL 763 Ca 0.17 -1.46 -0.02 0.00 0.00 0.00 0.00 61.98 60.68 2ayy s VAL 763 Cb -0.10 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 2ayy s VAL 763 CO 0.09 -0.88 -0.03 -0.89 0.00 0.00 0.00 175.10 173.38 2ayy s THR 764 N 1.37 3.96 -0.21 3.92 2.01 0.04 -0.46 115.64 126.27 2ayy s THR 764 Ca 0.15 -0.36 -0.10 0.00 0.31 0.00 0.00 61.69 61.69 2ayy s THR 764 Cb -0.21 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.56 2ayy s THR 764 CO -0.12 0.55 0.14 -0.36 -0.69 0.00 0.00 174.62 174.13 2ayy s PHE 765 N -0.25 3.38 0.37 4.92 0.40 -0.05 -1.84 117.98 124.91 2ayy s PHE 765 Ca 0.05 0.30 -0.07 0.00 -0.60 0.00 0.00 56.93 56.60 2ayy s PHE 765 Cb -0.13 -2.19 0.03 0.00 0.51 0.00 0.00 43.02 41.24 2ayy s PHE 765 CO 0.02 0.23 0.61 0.00 0.70 0.00 0.00 175.22 176.78 2ayy n ARG 767 N -0.56 0.03 -2.74 0.00 5.12 -1.26 -0.60 116.66 116.65 2ayy n ARG 767 Ca -0.03 0.01 -0.06 0.00 -1.93 0.00 0.00 57.85 55.84 2ayy n ARG 767 Cb 0.59 -0.25 0.03 0.00 -1.16 0.00 0.00 32.46 31.67 2ayy n ARG 767 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2ayy n ARG 768 N -2.77 0.58 -3.82 5.56 3.00 -1.26 -4.94 116.66 113.01 2ayy n ARG 768 Ca -0.01 -1.70 -0.12 0.00 -0.00 0.00 0.00 57.85 56.01 2ayy n ARG 768 Cb 0.03 -1.25 -0.12 0.00 0.00 0.00 0.00 32.46 31.11 2ayy n ARG 768 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 2ayy s HIS 769 N 0.74 -0.16 -0.07 -0.14 -3.43 -1.26 -5.16 115.29 105.82 2ayy s HIS 769 Ca 0.30 0.38 -0.04 0.00 -0.80 0.00 0.00 55.06 54.90 2ayy s HIS 769 Cb 0.13 0.05 -0.04 0.00 -1.43 0.00 0.00 32.58 31.29 2ayy s HIS 769 CO -0.15 -0.10 0.14 0.42 -2.00 0.00 0.00 174.74 173.06 2ayy s ILE 770 N -0.03 5.34 0.00 -5.38 1.09 -1.26 -4.54 121.20 116.42 2ayy s ILE 770 Ca -0.01 -0.02 0.00 0.00 -1.10 0.00 0.00 60.65 59.52 2ayy s ILE 770 Cb -0.02 -3.40 0.00 0.00 -1.06 0.00 0.00 42.46 37.99 2ayy s ILE 770 CO 0.00 0.48 0.00 0.61 -0.10 0.00 0.00 174.94 175.93 2ayy n GLY 771 N 1.52 4.41 3.79 6.18 0.00 -1.26 -5.12 105.19 114.72 2ayy n GLY 771 Ca -0.16 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 2ayy n GLY 771 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ayy s ILE 772 N 0.00 4.28 -0.95 -0.61 1.09 -1.26 -4.88 121.20 118.87 2ayy s ILE 772 Ca 0.00 1.71 -0.26 0.00 -1.10 0.00 0.00 60.65 61.00 2ayy s ILE 772 Cb 0.00 -3.96 -0.19 0.00 -1.06 0.00 0.00 42.46 37.26 2ayy s ILE 772 CO 0.00 0.12 2.25 -2.84 -0.10 0.00 0.00 174.94 174.37 2ayy s PRO 773 N -2.12 1.35 -1.46 2.79 0.02 -1.26 -4.82 135.00 129.49 2ayy s PRO 773 Ca 0.50 0.00 -0.10 0.00 0.02 0.00 0.00 61.00 61.42 2ayy s PRO 773 Cb -0.18 -4.89 -0.07 0.00 0.02 0.00 0.00 34.50 29.39 2ayy s PRO 773 CO 0.23 -5.05 2.71 1.47 -0.33 0.00 0.00 177.00 176.03 2ayy n LEU 774 N 19.32 7.78 0.00 -5.54 -0.00 -1.26 -4.64 117.00 132.66 2ayy n LEU 774 Ca 0.44 -4.04 0.00 0.00 -0.00 0.00 0.00 56.01 52.41 2ayy n LEU 774 Cb 0.45 -1.47 0.00 0.00 -0.00 0.00 0.00 43.42 42.40 2ayy n LEU 774 CO 0.57 1.66 0.00 1.21 -0.00 0.00 0.00 177.39 180.82 2ayy n GLU 775 N 4.03 0.00 -1.35 1.47 2.13 -1.24 -4.79 120.64 120.89 2ayy n GLU 775 Ca 0.69 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 58.38 2ayy n GLU 775 Cb 0.23 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.89 2ayy n GLU 775 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2ayy n LYS 776 N 13.77 -1.57 -3.63 5.31 4.76 -1.26 -4.86 118.16 130.68 2ayy n LYS 776 Ca 0.00 0.90 -0.01 0.00 -2.87 0.00 0.00 58.31 56.33 2ayy n LYS 776 Cb 0.00 -5.21 -0.06 0.00 -1.84 0.00 0.00 35.03 27.91 2ayy n LYS 776 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ayy s ALA 777 N -2.08 -2.39 -0.33 7.82 0.00 -1.26 -5.12 121.76 118.40 2ayy s ALA 777 Ca 0.00 2.15 -0.27 0.00 0.00 0.00 0.00 51.96 53.84 2ayy s ALA 777 Cb 0.00 -1.79 -0.06 0.00 0.00 0.00 0.00 23.12 21.27 2ayy s ALA 777 CO 0.00 -0.39 2.31 -2.30 0.00 0.00 0.00 175.76 175.38 2ayy n PRO 778 N 3.68 1.57 0.00 0.00 -0.02 -1.26 -2.76 135.00 136.20 2ayy n PRO 778 Ca -0.18 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2ayy n PRO 778 Cb 0.57 -3.31 0.00 0.00 -0.02 0.00 0.00 33.50 30.74 2ayy n PRO 778 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ayy n GLY 779 N 5.89 2.75 3.30 -1.23 0.00 -1.26 -5.09 105.19 109.55 2ayy n GLY 779 Ca 0.33 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2ayy n GLY 779 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ayy s GLU 780 N 0.00 3.34 -0.17 1.61 -1.05 -1.11 -2.54 118.70 118.78 2ayy s GLU 780 Ca 0.00 -0.66 -0.06 0.00 -0.15 0.00 0.00 54.97 54.10 2ayy s GLU 780 Cb 0.00 -2.86 -0.04 0.00 -0.44 0.00 0.00 34.13 30.79 2ayy s GLU 780 CO 0.00 -0.09 0.03 -1.58 0.95 0.00 0.00 175.26 174.57 2ayy s TRP 781 N 1.16 3.19 0.03 4.83 0.52 0.27 -3.61 118.94 125.34 2ayy s TRP 781 Ca 0.02 -0.00 0.05 0.00 0.02 0.00 0.00 56.10 56.19 2ayy s TRP 781 Cb -0.14 -2.02 -0.02 0.00 -1.15 0.00 0.00 33.47 30.14 2ayy s TRP 781 CO -0.02 0.15 -0.16 0.54 0.02 0.00 0.00 176.95 177.47 2ayy s VAL 782 N 0.22 1.26 0.23 4.03 0.11 -1.26 -0.78 120.40 124.21 2ayy s VAL 782 Ca 0.02 -1.00 -0.13 0.00 -2.93 0.00 0.00 61.98 57.94 2ayy s VAL 782 Cb -0.13 -1.12 0.00 0.00 -1.53 0.00 0.00 36.38 33.61 2ayy s VAL 782 CO 0.01 0.10 0.47 -2.28 -3.33 0.00 0.00 175.10 170.07 2ayy s HIS 783 N -0.77 0.27 0.11 1.54 2.46 -0.76 -4.88 115.29 113.26 2ayy s HIS 783 Ca 0.04 -0.63 -0.31 0.00 0.47 0.00 0.00 55.06 54.62 2ayy s HIS 783 Cb -0.08 0.22 -0.09 0.00 -0.13 0.00 0.00 32.58 32.50 2ayy s HIS 783 CO 0.01 -0.96 1.55 -1.54 -2.47 0.00 0.00 174.74 171.32 2ayy s SER 784 N -2.99 6.66 -0.90 9.88 1.04 -1.24 -0.87 113.70 125.28 2ayy s SER 784 Ca 0.19 2.48 -0.24 0.00 0.48 0.00 0.00 55.95 58.87 2ayy s SER 784 Cb -0.01 -2.58 -0.16 0.00 0.10 0.00 0.00 66.02 63.38 2ayy s SER 784 CO 0.06 -0.80 1.91 0.55 0.98 0.00 0.00 173.24 175.94 2ayy n VAL 785 N 4.25 1.53 -3.82 5.02 3.14 0.23 -4.71 118.33 123.97 2ayy n VAL 785 Ca 0.14 -1.48 -0.06 0.00 -2.96 0.00 0.00 64.34 59.99 2ayy n VAL 785 Cb 0.40 -2.20 -0.00 0.00 -1.06 0.00 0.00 33.84 30.98 2ayy n VAL 785 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2ayy s ALA 786 N 8.91 -1.33 -0.49 1.55 0.00 -1.26 -4.96 121.76 124.17 2ayy s ALA 786 Ca 0.65 -0.25 -0.15 0.00 0.00 0.00 0.00 51.96 52.22 2ayy s ALA 786 Cb 0.06 0.73 0.02 0.00 0.00 0.00 0.00 23.12 23.93 2ayy s ALA 786 CO 0.16 -1.04 0.62 0.00 0.00 0.00 0.00 175.76 175.50 2ayy n ALA 787 N -0.51 -2.87 0.23 0.00 0.00 -1.26 -4.76 120.51 111.34 2ayy n ALA 787 Ca -0.05 0.89 0.13 0.00 0.00 0.00 0.00 53.44 54.41 2ayy n ALA 787 Cb 0.60 -3.25 0.69 0.00 0.00 0.00 0.00 19.45 17.50 2ayy n ALA 787 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2ayy h PRO 788 N 1.71 0.00 -0.02 0.00 0.11 -1.97 0.10 132.00 131.93 2ayy h PRO 788 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2ayy h PRO 788 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2ayy h PRO 788 CO 0.22 0.00 -0.20 -2.39 -0.21 0.00 0.00 178.00 175.43 2ayy n HIS 789 N -2.49 0.00 -0.01 0.65 1.44 -1.26 -4.22 115.22 109.33 2ayy n HIS 789 Ca -0.02 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.54 2ayy n HIS 789 Cb 0.20 -0.04 -0.14 0.00 0.12 0.00 0.00 29.99 30.13 2ayy n HIS 789 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 2ayy n GLU 790 N 0.12 0.70 0.10 -1.40 0.28 0.35 -3.90 120.64 116.88 2ayy n GLU 790 Ca 0.14 0.27 -0.13 0.00 -0.16 0.00 0.00 57.16 57.27 2ayy n GLU 790 Cb 0.43 -1.74 -0.07 0.00 1.43 0.00 0.00 31.44 31.49 2ayy n GLU 790 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2ayy h LEU 791 N 0.03 -0.14 -2.05 -1.84 5.85 -1.73 0.13 115.31 115.56 2ayy h LEU 791 Ca -0.37 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 2ayy h LEU 791 Cb 2.03 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 43.09 2ayy h LEU 791 CO 0.08 -0.08 -0.05 -0.65 -0.34 0.00 0.00 178.44 177.40 2ayy h PRO 792 N -0.19 0.00 -0.10 5.25 0.11 -1.78 -0.15 132.00 135.13 2ayy h PRO 792 Ca -0.02 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.92 2ayy h PRO 792 Cb 0.15 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.27 2ayy h PRO 792 CO 0.03 0.05 -0.63 0.00 -0.21 0.00 0.00 178.00 177.23 2ayy h ALA 793 N 1.95 0.21 -0.68 -0.75 0.00 -1.57 -1.59 119.26 116.83 2ayy h ALA 793 Ca -0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2ayy h ALA 793 Cb 0.10 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2ayy h ALA 793 CO 0.01 0.49 0.40 1.25 0.00 0.00 0.00 179.25 181.39 2ayy h LEU 794 N 0.24 0.83 -0.58 0.00 5.85 -0.30 -0.16 115.31 121.19 2ayy h LEU 794 Ca -0.05 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.61 2ayy h LEU 794 Cb 1.28 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 2ayy h LEU 794 CO 0.13 0.66 0.38 -0.07 -0.34 0.00 0.00 178.44 179.20 2ayy h LEU 795 N 0.93 0.64 -0.45 2.25 3.38 -1.03 -0.84 115.31 120.19 2ayy h LEU 795 Ca 0.24 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.21 2ayy h LEU 795 Cb -0.00 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2ayy h LEU 795 CO -0.04 0.46 0.30 0.00 0.09 0.00 0.00 178.44 179.24 2ayy h ALA 796 N 1.23 0.57 -0.91 1.53 0.00 -0.75 -0.74 119.26 120.19 2ayy h ALA 796 Ca 0.22 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.13 2ayy h ALA 796 Cb -0.05 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 2ayy h ALA 796 CO -0.06 0.02 0.59 -0.09 0.00 0.00 0.00 179.25 179.71 2ayy h ARG 797 N 0.61 1.12 -0.31 0.00 9.65 -0.59 0.62 114.38 125.48 2ayy h ARG 797 Ca 0.17 -0.07 -0.04 0.00 -1.10 0.00 0.00 59.98 58.94 2ayy h ARG 797 Cb -0.07 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 28.25 2ayy h ARG 797 CO -0.04 0.74 0.04 0.82 2.80 0.00 0.00 179.97 184.33 2ayy h ILE 798 N 1.15 1.24 -0.20 1.20 2.04 -0.58 -2.68 117.51 119.68 2ayy h ILE 798 Ca 0.36 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.38 2ayy h ILE 798 Cb -0.00 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2ayy h ILE 798 CO -0.12 0.28 0.00 -1.22 0.00 0.00 0.00 178.15 177.09 2ayy n TYR 799 N -4.61 0.26 -3.10 1.37 4.02 -0.34 -4.90 117.16 109.87 2ayy n TYR 799 Ca -0.02 -0.13 -0.14 0.00 -0.01 0.00 0.00 57.90 57.60 2ayy n TYR 799 Cb 0.23 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.61 2ayy n TYR 799 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 2ayy n LEU 800 N 0.08 -4.96 -4.68 7.72 -0.00 -0.34 -5.04 117.00 109.78 2ayy n LEU 800 Ca 0.07 -0.61 -0.29 0.00 -0.00 0.00 0.00 56.01 55.18 2ayy n LEU 800 Cb 0.17 -2.90 -0.08 0.00 -0.00 0.00 0.00 43.42 40.62 2ayy n LEU 800 CO 0.05 0.14 -0.33 -0.63 -0.00 0.00 0.00 177.39 176.62 2ayy s ILE 801 N -3.34 3.91 0.20 1.96 1.01 0.20 -5.00 121.20 120.14 2ayy s ILE 801 Ca 0.33 -1.14 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 2ayy s ILE 801 Cb -0.04 -2.90 0.02 0.00 0.01 0.00 0.00 42.46 39.55 2ayy s ILE 801 CO 0.65 0.04 1.60 -0.08 0.00 0.00 0.00 174.94 177.15 2ayy h GLU 802 N 3.17 0.77 -6.39 2.79 4.22 -1.96 -3.39 114.58 113.78 2ayy h GLU 802 Ca -0.48 -0.34 -0.53 0.00 0.08 0.00 0.00 59.36 58.09 2ayy h GLU 802 Cb 1.18 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 30.42 2ayy h GLU 802 CO 0.59 0.95 1.11 1.41 -2.18 0.00 0.00 179.01 180.89 2ayy s MET 803 N -4.51 4.17 -0.28 1.92 1.75 -1.26 -4.97 119.30 116.11 2ayy s MET 803 Ca -0.09 2.43 -0.21 0.00 -1.25 0.00 0.00 55.69 56.57 2ayy s MET 803 Cb 0.13 -3.86 0.12 0.00 2.84 0.00 0.00 34.83 34.06 2ayy s MET 803 CO 0.84 -0.84 0.92 -2.00 -0.65 0.00 0.00 175.02 173.29 2ayy s GLU 804 N 3.53 0.54 -0.05 4.11 2.12 -1.26 -4.46 118.70 123.22 2ayy s GLU 804 Ca 0.79 0.76 0.05 0.00 0.36 0.00 0.00 54.97 56.94 2ayy s GLU 804 Cb -0.40 0.19 -0.02 0.00 0.26 0.00 0.00 34.13 34.16 2ayy s GLU 804 CO 0.35 -0.08 -0.20 -1.12 -0.54 0.00 0.00 175.26 173.66 2ayy s SER 805 N 0.82 3.50 -0.06 -1.70 0.01 -1.26 -5.11 113.70 109.89 2ayy s SER 805 Ca -0.03 -0.37 -0.16 0.00 1.31 0.00 0.00 55.95 56.70 2ayy s SER 805 Cb -0.05 -0.79 -0.05 0.00 0.21 0.00 0.00 66.02 65.35 2ayy s SER 805 CO -0.10 0.29 0.43 -0.62 0.41 0.00 0.00 173.24 173.65 2ayy s ASP 806 N -0.44 6.72 -0.29 2.44 2.15 -1.26 -5.00 116.67 121.00 2ayy s ASP 806 Ca 0.05 0.86 0.00 0.00 0.43 0.00 0.00 52.55 53.89 2ayy s ASP 806 Cb -0.12 -2.26 0.06 0.00 -0.30 0.00 0.00 42.92 40.30 2ayy s ASP 806 CO 0.01 0.17 -0.04 -0.62 -0.17 0.00 0.00 175.17 174.53 2ayy s ASP 807 N -0.23 4.73 -1.53 -0.34 2.15 -1.26 -5.02 116.67 115.18 2ayy s ASP 807 Ca 0.24 -1.35 -0.10 0.00 0.43 0.00 0.00 52.55 51.77 2ayy s ASP 807 Cb -0.16 -1.65 -0.02 0.00 -0.30 0.00 0.00 42.92 40.80 2ayy s ASP 807 CO 0.11 -0.24 2.66 -0.81 -0.17 0.00 0.00 175.17 176.72 2ayy n PRO 808 N 4.54 3.66 -1.50 4.34 -0.04 -1.26 -4.82 135.00 139.92 2ayy n PRO 808 Ca -0.13 -2.55 -0.40 0.00 -0.04 0.00 0.00 63.50 60.38 2ayy n PRO 808 Cb 0.43 -2.89 -0.02 0.00 -0.04 0.00 0.00 33.50 30.98 2ayy n PRO 808 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ayy n ALA 809 N 3.85 7.19 -3.05 0.55 0.00 -1.26 -4.87 120.51 122.92 2ayy n ALA 809 Ca 0.69 -3.68 -0.45 0.00 0.00 0.00 0.00 53.44 49.99 2ayy n ALA 809 Cb 0.27 -3.28 -0.06 0.00 0.00 0.00 0.00 19.45 16.38 2ayy n ALA 809 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2ayy s ASN 810 N 1.94 6.18 -0.25 0.00 2.47 -1.26 -5.03 114.94 118.97 2ayy s ASN 810 Ca 0.64 -1.46 -0.07 0.00 0.42 0.00 0.00 52.86 52.39 2ayy s ASN 810 Cb 0.17 -2.22 -0.02 0.00 -1.45 0.00 0.00 41.25 37.73 2ayy s ASN 810 CO -0.07 -0.81 0.06 0.00 -3.72 0.00 0.00 177.10 172.56 2ayy s ALA 811 N 1.88 3.11 -0.60 1.71 0.00 -1.26 -5.06 121.76 121.54 2ayy s ALA 811 Ca 0.06 -1.18 -0.07 0.00 0.00 0.00 0.00 51.96 50.76 2ayy s ALA 811 Cb -0.26 -2.06 0.16 0.00 0.00 0.00 0.00 23.12 20.96 2ayy s ALA 811 CO 0.06 -0.55 0.46 -0.51 0.00 0.00 0.00 175.76 175.23 2ayy s LEU 812 N 1.59 5.73 0.27 0.00 1.43 -1.26 -4.89 118.68 121.54 2ayy s LEU 812 Ca 0.06 -2.45 0.03 0.00 -1.03 0.00 0.00 54.13 50.74 2ayy s LEU 812 Cb -0.15 -1.98 0.38 0.00 0.03 0.00 0.00 46.19 44.46 2ayy s LEU 812 CO 0.03 -0.54 1.68 -0.65 0.23 0.00 0.00 176.35 177.10 2ayy h PRO 813 N 7.74 0.39 0.00 1.29 0.11 -2.05 -3.49 132.00 135.99 2ayy h PRO 813 Ca -0.06 -0.18 0.26 0.00 0.11 0.00 0.00 66.00 66.13 2ayy h PRO 813 Cb 1.02 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.06 2ayy h PRO 813 CO 0.77 0.71 -0.35 0.43 -0.21 0.00 0.00 178.00 179.35 2ayy n SER 814 N -4.05 -6.97 -3.78 -2.05 7.64 -1.26 -4.97 113.62 98.18 2ayy n SER 814 Ca -0.01 1.04 -0.13 0.00 1.01 0.00 0.00 58.87 60.78 2ayy n SER 814 Cb 0.47 -2.92 -0.11 0.00 -1.01 0.00 0.00 64.21 60.64 2ayy n SER 814 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2ayy s THR 815 N -1.58 0.00 -2.46 0.44 2.01 -1.26 -5.32 115.64 107.48 2ayy s THR 815 Ca 0.00 -0.04 0.20 0.00 0.31 0.00 0.00 61.69 62.16 2ayy s THR 815 Cb 0.00 -0.40 0.16 0.00 0.01 0.00 0.00 72.50 72.27 2ayy s THR 815 CO 0.00 -0.02 1.12 -0.67 -0.69 0.00 0.00 174.62 174.36