#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ayy s GLY 697 N 0.00 1.80 -1.26 -5.12 0.00 -1.26 -5.01 107.32 96.47 2ayy s GLY 697 Ca 0.00 -1.76 -0.08 0.00 0.00 0.00 0.00 44.72 42.87 2ayy s GLY 697 CO 0.00 -1.36 1.88 0.61 0.00 0.00 0.00 173.10 174.23 2ayy n GLY 698 N -2.37 4.86 3.63 0.20 0.00 -1.26 -4.96 105.19 105.28 2ayy n GLY 698 Ca 0.12 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 2ayy n GLY 698 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ayy s SER 699 N 0.52 6.75 0.00 1.61 0.01 -1.26 -4.87 113.70 116.46 2ayy s SER 699 Ca 0.40 0.83 0.00 0.00 1.31 0.00 0.00 55.95 58.48 2ayy s SER 699 Cb 0.10 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.90 2ayy s SER 699 CO 0.01 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.66 2ayy n GLY 700 N 4.02 -1.76 2.92 3.44 0.00 -1.26 -5.17 105.19 107.38 2ayy n GLY 700 Ca 0.05 0.80 -0.16 0.00 0.00 0.00 0.00 46.02 46.71 2ayy n GLY 700 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ayy s VAL 701 N 0.00 0.34 0.29 1.61 0.11 -1.26 -5.15 120.40 116.34 2ayy s VAL 701 Ca 0.00 -0.15 -0.16 0.00 -2.93 0.00 0.00 61.98 58.74 2ayy s VAL 701 Cb 0.00 -0.32 0.02 0.00 -1.53 0.00 0.00 36.38 34.55 2ayy s VAL 701 CO 0.00 0.12 0.63 -1.83 -3.33 0.00 0.00 175.10 170.68 2ayy s GLU 702 N 0.13 1.79 0.00 1.54 1.03 -1.26 -5.15 118.70 116.77 2ayy s GLU 702 Ca -0.01 -1.22 0.00 0.00 0.03 0.00 0.00 54.97 53.77 2ayy s GLU 702 Cb -0.04 0.55 0.00 0.00 -0.80 0.00 0.00 34.13 33.84 2ayy s GLU 702 CO -0.00 -0.79 0.00 0.41 -1.33 0.00 0.00 175.26 173.54 2ayy n GLY 703 N -0.45 0.07 3.34 -3.83 0.00 -1.26 -5.16 105.19 97.90 2ayy n GLY 703 Ca -0.03 0.69 -0.33 0.00 0.00 0.00 0.00 46.02 46.35 2ayy n GLY 703 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ayy s LEU 704 N 0.00 2.64 0.37 0.99 1.43 -1.26 -5.11 118.68 117.73 2ayy s LEU 704 Ca 0.00 -0.37 -0.13 0.00 -1.03 0.00 0.00 54.13 52.60 2ayy s LEU 704 Cb 0.00 -1.60 -0.08 0.00 0.03 0.00 0.00 46.19 44.55 2ayy s LEU 704 CO 0.00 0.14 0.76 -0.44 0.23 0.00 0.00 176.35 177.04 2ayy s SER 705 N 0.49 6.65 -0.61 2.29 0.01 -1.26 -5.04 113.70 116.22 2ayy s SER 705 Ca -0.10 1.21 0.06 0.00 1.31 0.00 0.00 55.95 58.44 2ayy s SER 705 Cb -0.16 -2.35 0.22 0.00 0.21 0.00 0.00 66.02 63.94 2ayy s SER 705 CO 0.04 -0.31 0.62 0.61 0.41 0.00 0.00 173.24 174.62 2ayy n GLY 706 N -0.85 4.15 3.48 3.44 0.00 -1.26 -5.03 105.19 109.12 2ayy n GLY 706 Ca 0.03 -2.46 -0.42 0.00 0.00 0.00 0.00 46.02 43.17 2ayy n GLY 706 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ayy s LYS 707 N -1.86 3.11 0.03 1.61 1.02 -1.26 -5.07 119.74 117.32 2ayy s LYS 707 Ca 0.35 -0.92 0.09 0.00 0.02 0.00 0.00 55.97 55.50 2ayy s LYS 707 Cb 0.09 -3.93 -0.03 0.00 -0.52 0.00 0.00 37.83 33.45 2ayy s LYS 707 CO -0.08 -0.67 -0.26 0.50 -0.92 0.00 0.00 175.35 173.92 2ayy s ARG 708 N 1.69 1.84 -0.06 1.68 3.00 -1.26 -0.68 118.95 125.16 2ayy s ARG 708 Ca 0.05 -1.05 -0.02 0.00 -1.00 0.00 0.00 55.73 53.71 2ayy s ARG 708 Cb -0.19 -1.95 0.04 0.00 0.00 0.00 0.00 34.95 32.86 2ayy s ARG 708 CO 0.10 0.51 0.12 0.00 0.00 0.00 0.00 175.30 176.04 2ayy s TRP 710 N 1.57 3.49 -0.02 0.00 0.52 -0.04 -1.05 118.94 123.41 2ayy s TRP 710 Ca -0.04 0.36 0.01 0.00 0.02 0.00 0.00 56.10 56.45 2ayy s TRP 710 Cb -0.12 -1.86 0.01 0.00 -1.15 0.00 0.00 33.47 30.35 2ayy s TRP 710 CO -0.05 0.43 -0.04 -0.48 0.02 0.00 0.00 176.95 176.82 2ayy s LEU 711 N -3.05 1.68 -0.49 2.99 2.34 -0.89 -0.76 118.68 120.50 2ayy s LEU 711 Ca 0.38 -0.10 0.08 0.00 0.06 0.00 0.00 54.13 54.55 2ayy s LEU 711 Cb -0.12 -0.33 0.36 0.00 -0.56 0.00 0.00 46.19 45.55 2ayy s LEU 711 CO 0.28 0.01 0.90 0.00 -1.06 0.00 0.00 176.35 176.48 2ayy n ALA 712 N 3.45 3.86 -2.68 1.48 0.00 0.15 -1.03 120.51 125.75 2ayy n ALA 712 Ca -0.19 -4.19 -0.38 0.00 0.00 0.00 0.00 53.44 48.68 2ayy n ALA 712 Cb 0.55 -0.78 -0.08 0.00 0.00 0.00 0.00 19.45 19.14 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 5.22 0.01 0.00 1.01 -1.26 -2.59 120.40 118.89 2ayy s VAL 713 Ca 0.45 0.65 -0.19 0.00 0.00 0.00 0.00 61.98 62.90 2ayy s VAL 713 Cb 0.32 -3.70 -0.24 0.00 0.00 0.00 0.00 36.38 32.76 2ayy s VAL 713 CO -0.12 0.28 1.10 0.03 0.00 0.00 0.00 175.10 176.39 2ayy h ARG 714 N 7.27 0.46 -6.19 2.72 2.47 -1.99 -3.42 114.38 115.71 2ayy h ARG 714 Ca -0.37 -0.52 -0.54 0.00 -1.26 0.00 0.00 59.98 57.28 2ayy h ARG 714 Cb 1.16 0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 29.60 2ayy h ARG 714 CO 0.72 1.17 1.27 1.21 0.56 0.00 0.00 179.97 184.90 2ayy s ASN 715 N -6.90 5.71 0.39 7.04 3.84 -1.26 -4.86 114.94 118.89 2ayy s ASN 715 Ca -0.12 0.82 0.07 0.00 0.21 0.00 0.00 52.86 53.84 2ayy s ASN 715 Cb 0.04 -2.53 0.79 0.00 -0.55 0.00 0.00 41.25 39.00 2ayy s ASN 715 CO 0.85 -1.94 1.97 0.00 -2.79 0.00 0.00 177.10 175.18 2ayy h ALA 716 N 13.37 1.57 0.09 1.71 0.00 -1.98 0.16 119.26 134.17 2ayy h ALA 716 Ca -0.29 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 2ayy h ALA 716 Cb 1.15 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2ayy h ALA 716 CO 1.12 0.33 -0.04 0.77 0.00 0.00 0.00 179.25 181.42 2ayy h SER 717 N 0.41 -0.11 -0.35 0.00 0.02 -1.97 -1.82 113.55 109.74 2ayy h SER 717 Ca 0.10 -0.23 -0.11 0.00 -0.84 0.00 0.00 61.79 60.71 2ayy h SER 717 Cb 0.18 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 2ayy h SER 717 CO -0.00 0.17 -0.17 0.25 -1.14 0.00 0.00 176.83 175.94 2ayy h LEU 718 N -0.39 0.82 -0.85 5.07 7.12 -1.91 -2.26 115.31 122.90 2ayy h LEU 718 Ca -0.01 -0.28 0.04 0.00 0.13 0.00 0.00 57.88 57.76 2ayy h LEU 718 Cb 0.33 -0.22 -0.05 0.00 -0.53 0.00 0.00 40.66 40.18 2ayy h LEU 718 CO 0.02 0.98 0.54 0.00 -0.13 0.00 0.00 178.44 179.86 2ayy h GLN 720 N 1.05 0.60 0.24 0.00 1.08 -1.19 -2.63 115.11 114.25 2ayy h GLN 720 Ca 0.34 -0.36 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2ayy h GLN 720 Cb 0.03 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 2ayy h GLN 720 CO -0.12 0.97 -0.11 0.35 -0.95 0.00 0.00 178.83 178.97 2ayy h PHE 721 N 0.47 -0.30 -0.57 2.96 3.57 -0.68 -1.28 116.94 121.12 2ayy h PHE 721 Ca 0.02 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 2ayy h PHE 721 Cb 1.06 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 2ayy h PHE 721 CO 0.05 -0.14 -0.05 1.37 -2.23 0.00 0.00 178.31 177.31 2ayy h LEU 722 N -0.38 1.02 -0.55 0.59 8.10 -1.24 -1.50 115.31 121.36 2ayy h LEU 722 Ca -0.03 -0.33 -0.11 0.00 0.11 0.00 0.00 57.88 57.52 2ayy h LEU 722 Cb 0.29 -0.28 -0.02 0.00 -0.44 0.00 0.00 40.66 40.21 2ayy h LEU 722 CO 0.05 1.11 -0.07 1.05 -4.11 0.00 0.00 178.44 176.46 2ayy h GLU 723 N 0.92 1.03 -0.17 0.17 4.11 -1.39 -2.03 114.58 117.22 2ayy h GLU 723 Ca 0.16 -0.37 -0.11 0.00 0.07 0.00 0.00 59.36 59.11 2ayy h GLU 723 Cb 0.61 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2ayy h GLU 723 CO 0.04 1.05 -0.38 1.15 0.07 0.00 0.00 179.01 180.94 2ayy h THR 724 N 0.91 1.30 -0.44 -1.06 2.02 -1.17 -1.13 112.91 113.34 2ayy h THR 724 Ca 0.15 -1.48 0.03 0.00 0.77 0.00 0.00 66.41 65.87 2ayy h THR 724 Cb 0.64 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 2ayy h THR 724 CO 0.04 0.45 0.24 0.28 0.37 0.00 0.00 175.52 176.90 2ayy h SER 725 N 0.31 0.37 1.52 4.18 0.02 -0.67 -2.28 113.55 116.99 2ayy h SER 725 Ca 0.03 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2ayy h SER 725 Cb 0.81 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.29 2ayy h SER 725 CO 0.06 0.26 -0.26 0.17 -1.14 0.00 0.00 176.83 175.92 2ayy h LEU 726 N 0.48 0.00 -0.55 5.07 8.10 -1.26 -3.34 115.31 123.80 2ayy h LEU 726 Ca 0.18 -0.03 -0.11 0.00 0.11 0.00 0.00 57.88 58.03 2ayy h LEU 726 Cb 0.06 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.26 2ayy h LEU 726 CO -0.11 0.02 -0.10 1.56 -4.11 0.00 0.00 178.44 175.69 2ayy h GLN 727 N 0.00 1.04 0.00 0.17 1.08 -0.61 -2.18 115.11 114.61 2ayy h GLN 727 Ca 0.00 -0.38 0.00 0.00 -1.45 0.00 0.00 58.65 56.82 2ayy h GLN 727 Cb 0.89 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.25 2ayy h GLN 727 CO 0.00 1.08 0.00 0.07 -0.95 0.00 0.00 178.83 179.03 2ayy h ARG 728 N 0.92 0.00 0.00 1.46 -0.00 -1.65 0.13 114.38 115.24 2ayy h ARG 728 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.12 2ayy h ARG 728 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.65 2ayy h ARG 728 CO 0.05 0.00 0.00 1.03 -0.00 0.00 0.00 179.97 181.05 2ayy h SER 729 N 0.00 0.00 0.00 0.08 0.87 -1.60 -3.46 113.55 109.44 2ayy h SER 729 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2ayy h SER 729 Cb 0.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2ayy h SER 729 CO 0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 2ayy n GLY 730 N 1.15 0.72 3.71 5.77 0.00 0.46 -5.07 105.19 111.93 2ayy n GLY 730 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 4.73 -0.36 -0.61 1.01 -1.20 -4.73 121.20 118.04 2ayy s ILE 731 Ca 0.00 1.96 -0.23 0.00 0.00 0.00 0.00 60.65 62.38 2ayy s ILE 731 Cb 0.00 -4.26 0.01 0.00 0.01 0.00 0.00 42.46 38.22 2ayy s ILE 731 CO 0.00 0.15 0.77 0.54 0.00 0.00 0.00 174.94 176.40 2ayy s VAL 732 N 1.06 4.75 0.31 2.92 0.11 0.15 -4.33 120.40 125.37 2ayy s VAL 732 Ca 0.53 0.88 -0.14 0.00 -2.93 0.00 0.00 61.98 60.32 2ayy s VAL 732 Cb -0.22 -4.19 -0.09 0.00 -1.53 0.00 0.00 36.38 30.35 2ayy s VAL 732 CO 0.28 -0.41 0.71 -0.69 -3.33 0.00 0.00 175.10 171.66 2ayy s VAL 733 N 3.05 4.71 -0.14 2.04 1.01 -1.26 -2.27 120.40 127.54 2ayy s VAL 733 Ca 0.31 0.89 -0.05 0.00 0.00 0.00 0.00 61.98 63.13 2ayy s VAL 733 Cb -0.13 -3.62 0.07 0.00 0.00 0.00 0.00 36.38 32.70 2ayy s VAL 733 CO 0.16 -0.16 0.29 -0.89 0.00 0.00 0.00 175.10 174.51 2ayy s THR 734 N -1.95 -0.43 0.19 3.92 2.01 -0.21 -4.94 115.64 114.24 2ayy s THR 734 Ca 0.53 0.25 -0.32 0.00 0.31 0.00 0.00 61.69 62.46 2ayy s THR 734 Cb -0.11 -0.48 -0.11 0.00 0.01 0.00 0.00 72.50 71.82 2ayy s THR 734 CO 0.18 0.11 1.68 -0.89 -0.69 0.00 0.00 174.62 175.00 2ayy s THR 735 N 2.37 2.23 -1.19 -0.82 2.01 -1.26 -2.11 115.64 116.88 2ayy s THR 735 Ca 0.00 0.15 -0.20 0.00 0.31 0.00 0.00 61.69 61.95 2ayy s THR 735 Cb -0.12 -3.10 0.03 0.00 0.01 0.00 0.00 72.50 69.33 2ayy s THR 735 CO -0.09 0.01 1.71 -0.47 -0.69 0.00 0.00 174.62 175.09 2ayy s TYR 736 N 1.23 2.53 -0.70 4.92 5.04 -0.20 -4.69 117.35 125.48 2ayy s TYR 736 Ca 0.74 -0.96 0.26 0.00 -2.44 0.00 0.00 57.07 54.66 2ayy s TYR 736 Cb -0.48 -4.58 0.72 0.00 0.35 0.00 0.00 41.96 37.97 2ayy s TYR 736 CO 0.32 -1.75 1.71 0.93 -1.34 0.00 0.00 175.55 175.42 2ayy h GLU 737 N 8.71 0.00 0.00 4.97 5.08 -1.90 -3.46 114.58 127.98 2ayy h GLU 737 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2ayy h GLU 737 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2ayy h GLU 737 CO 1.40 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 179.82 2ayy n GLY 738 N 1.30 0.38 1.21 -3.84 0.00 -1.26 -5.17 105.19 97.82 2ayy n GLY 738 Ca 0.05 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 1.27 -2.44 1.61 3.00 -1.26 -5.08 117.38 114.47 2ayy n GLN 739 Ca 0.00 -1.11 -0.42 0.00 -0.01 0.00 0.00 57.00 55.46 2ayy n GLN 739 Cb 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 30.24 30.35 2ayy n GLN 739 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2ayy s GLU 740 N -2.71 4.37 -0.11 -1.09 2.12 -1.26 -5.00 118.70 115.03 2ayy s GLU 740 Ca 0.09 1.70 -0.30 0.00 0.36 0.00 0.00 54.97 56.83 2ayy s GLU 740 Cb -0.01 -3.51 -0.02 0.00 0.26 0.00 0.00 34.13 30.86 2ayy s GLU 740 CO 0.06 -0.40 1.16 -1.25 -0.54 0.00 0.00 175.26 174.29 2ayy s PRO 741 N 1.92 4.33 -0.03 4.30 0.04 -1.26 -5.03 135.00 139.27 2ayy s PRO 741 Ca 0.57 1.59 -0.19 0.00 0.04 0.00 0.00 61.00 63.00 2ayy s PRO 741 Cb -0.26 -3.61 -0.05 0.00 0.04 0.00 0.00 34.50 30.62 2ayy s PRO 741 CO 0.24 -0.50 0.55 0.99 0.04 0.00 0.00 177.00 178.32 2ayy s THR 742 N 2.58 4.97 -1.20 1.26 2.01 -1.26 -4.74 115.64 119.27 2ayy s THR 742 Ca 0.53 1.15 0.06 0.00 0.31 0.00 0.00 61.69 63.74 2ayy s THR 742 Cb -0.22 -3.89 0.08 0.00 0.01 0.00 0.00 72.50 68.48 2ayy s THR 742 CO 0.18 0.42 1.13 -2.65 -0.69 0.00 0.00 174.62 173.01 2ayy n PRO 743 N 2.81 0.04 0.00 4.92 -0.02 -1.26 -1.01 135.00 140.48 2ayy n PRO 743 Ca -0.08 0.32 0.03 0.00 -2.02 0.00 0.00 63.50 61.75 2ayy n PRO 743 Cb 0.51 -1.50 0.02 0.00 -0.02 0.00 0.00 33.50 32.52 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 -1.40 -0.03 -3.88 -0.52 -0.58 -1.26 -1.99 120.64 110.97 2ayy n GLU 744 Ca 0.02 -0.82 -0.22 0.00 -0.42 0.00 0.00 57.16 55.72 2ayy n GLU 744 Cb 0.06 -1.10 -0.02 0.00 -0.57 0.00 0.00 31.44 29.81 2ayy n GLU 744 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ayy s ASP 745 N -0.51 6.32 0.01 1.62 1.11 -0.18 -4.72 116.67 120.32 2ayy s ASP 745 Ca 0.07 0.14 0.08 0.00 0.18 0.00 0.00 52.55 53.02 2ayy s ASP 745 Cb 0.05 -1.89 -0.02 0.00 1.07 0.00 0.00 42.92 42.12 2ayy s ASP 745 CO 0.08 -0.08 -0.25 0.68 1.18 0.00 0.00 175.17 176.78 2ayy s VAL 746 N -1.99 2.23 -0.29 -1.27 -7.23 -1.25 -1.50 120.40 109.09 2ayy s VAL 746 Ca 0.35 -1.19 -0.07 0.00 -1.81 0.00 0.00 61.98 59.25 2ayy s VAL 746 Cb -0.09 -1.83 0.00 0.00 0.56 0.00 0.00 36.38 35.02 2ayy s VAL 746 CO 0.30 0.48 0.09 -0.22 -0.31 0.00 0.00 175.10 175.44 2ayy s LEU 747 N -0.93 3.84 -0.47 1.32 0.20 -0.76 -0.86 118.68 121.02 2ayy s LEU 747 Ca 0.11 -0.63 -0.18 0.00 0.69 0.00 0.00 54.13 54.12 2ayy s LEU 747 Cb -0.10 -1.90 0.05 0.00 -0.43 0.00 0.00 46.19 43.80 2ayy s LEU 747 CO 0.01 -0.18 0.54 -0.63 -0.29 0.00 0.00 176.35 175.80 2ayy s ILE 748 N 1.53 4.98 -0.15 6.68 1.01 0.06 -0.90 121.20 134.41 2ayy s ILE 748 Ca 0.03 -0.46 -0.02 0.00 0.00 0.00 0.00 60.65 60.21 2ayy s ILE 748 Cb -0.17 -4.19 -0.02 0.00 0.01 0.00 0.00 42.46 38.09 2ayy s ILE 748 CO 0.03 -0.64 -0.09 0.42 0.00 0.00 0.00 174.94 174.66 2ayy s THR 749 N 2.38 3.32 0.28 2.92 -4.23 0.21 -0.67 115.64 119.85 2ayy s THR 749 Ca 0.14 -0.56 0.11 0.00 -1.18 0.00 0.00 61.69 60.20 2ayy s THR 749 Cb -0.19 -2.43 -0.05 0.00 1.34 0.00 0.00 72.50 71.17 2ayy s THR 749 CO 0.13 0.50 -0.17 -0.62 -0.54 0.00 0.00 174.62 173.92 2ayy s ASP 750 N 0.48 3.45 0.98 3.99 -1.08 -1.07 -0.88 116.67 122.55 2ayy s ASP 750 Ca -0.07 -1.07 0.00 0.00 -0.52 0.00 0.00 52.55 50.89 2ayy s ASP 750 Cb -0.15 -0.28 0.00 0.00 -1.46 0.00 0.00 42.92 41.03 2ayy s ASP 750 CO 0.04 -0.05 0.00 -0.62 0.52 0.00 0.00 175.17 175.06 2ayy n GLU 751 N -0.62 0.00 -3.14 4.34 1.02 -0.12 -4.14 120.64 117.99 2ayy n GLU 751 Ca -0.05 0.00 -0.45 0.00 -0.02 0.00 0.00 57.16 56.63 2ayy n GLU 751 Cb 0.61 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 32.01 2ayy n GLU 751 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2ayy s VAL 752 N 0.00 5.22 0.11 2.62 1.01 -1.26 -4.23 120.40 123.86 2ayy s VAL 752 Ca 0.00 -2.13 0.03 0.00 0.00 0.00 0.00 61.98 59.88 2ayy s VAL 752 Cb 0.00 -4.63 -0.04 0.00 0.00 0.00 0.00 36.38 31.71 2ayy s VAL 752 CO 0.00 -1.27 0.16 0.68 0.00 0.00 0.00 175.10 174.67 2ayy s VAL 753 N 1.26 4.88 -0.19 2.92 -7.23 -1.26 -5.02 120.40 115.77 2ayy s VAL 753 Ca 0.26 -0.72 0.15 0.00 -1.81 0.00 0.00 61.98 59.85 2ayy s VAL 753 Cb -0.07 -3.42 0.40 0.00 0.56 0.00 0.00 36.38 33.85 2ayy s VAL 753 CO -0.09 0.04 1.27 -1.20 -0.31 0.00 0.00 175.10 174.81 2ayy n SER 754 N 0.06 2.43 -3.94 4.85 7.64 -1.26 -4.66 113.62 118.74 2ayy n SER 754 Ca -0.07 -3.43 -0.10 0.00 1.01 0.00 0.00 58.87 56.28 2ayy n SER 754 Cb 0.53 -0.51 -0.11 0.00 -1.01 0.00 0.00 64.21 63.11 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 -3.04 0.36 0.00 1.43 -2.85 -1.26 -5.06 119.74 109.32 2ayy s LYS 755 Ca 0.38 -0.53 0.00 0.00 -1.00 0.00 0.00 55.97 54.81 2ayy s LYS 755 Cb 0.34 0.14 0.00 0.00 -2.06 0.00 0.00 37.83 36.25 2ayy s LYS 755 CO 0.00 -0.07 0.00 1.63 0.10 0.00 0.00 175.35 177.01 2ayy n LYS 756 N 1.57 3.25 -3.73 1.78 4.76 -1.26 -5.05 118.16 119.48 2ayy n LYS 756 Ca -0.23 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.07 2ayy n LYS 756 Cb 0.55 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.65 2ayy n LYS 756 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 2ayy s TRP 757 N 3.83 -0.39 -0.59 2.13 -0.11 -1.26 -5.07 118.94 117.48 2ayy s TRP 757 Ca 0.00 0.87 0.04 0.00 1.22 0.00 0.00 56.10 58.23 2ayy s TRP 757 Cb 0.00 0.16 0.14 0.00 -1.50 0.00 0.00 33.47 32.27 2ayy s TRP 757 CO 0.00 -0.29 0.35 -1.14 -4.62 0.00 0.00 176.95 171.24 2ayy s GLN 758 N -0.32 2.16 0.00 5.86 0.74 -1.26 -4.96 119.66 121.89 2ayy s GLN 758 Ca -0.05 -2.90 0.00 0.00 0.05 0.00 0.00 55.36 52.46 2ayy s GLN 758 Cb -0.03 -3.36 0.00 0.00 1.10 0.00 0.00 33.01 30.72 2ayy s GLN 758 CO 0.02 -1.18 0.00 0.41 -0.55 0.00 0.00 175.29 174.00 2ayy n GLY 759 N 2.67 2.46 0.07 2.59 0.00 -1.26 -4.18 105.19 107.55 2ayy n GLY 759 Ca 0.11 0.05 -0.02 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.14 -3.40 1.61 2.43 -0.63 -3.44 114.38 110.81 2ayy h ARG 760 Ca 0.00 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 2ayy h ARG 760 Cb 0.00 0.03 -0.17 0.00 -0.42 0.00 0.00 29.97 29.41 2ayy h ARG 760 CO 0.00 -0.09 -0.29 0.00 -1.51 0.00 0.00 179.97 178.07 2ayy s ALA 761 N -3.21 -0.57 -0.05 2.80 0.00 -1.22 -4.87 121.76 114.64 2ayy s ALA 761 Ca -0.02 -0.11 0.05 0.00 0.00 0.00 0.00 51.96 51.89 2ayy s ALA 761 Cb 0.00 0.32 -0.01 0.00 0.00 0.00 0.00 23.12 23.44 2ayy s ALA 761 CO 0.06 -0.41 -0.22 0.08 0.00 0.00 0.00 175.76 175.28 2ayy s VAL 762 N -2.63 1.77 -0.26 0.00 1.01 -0.36 -1.83 120.40 118.09 2ayy s VAL 762 Ca -0.04 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.05 2ayy s VAL 762 Cb -0.01 -1.50 0.06 0.00 0.00 0.00 0.00 36.38 34.93 2ayy s VAL 762 CO -0.04 0.50 -0.11 -0.69 0.00 0.00 0.00 175.10 174.76 2ayy s VAL 763 N -0.13 2.17 -0.26 2.92 1.01 -0.08 -0.51 120.40 125.52 2ayy s VAL 763 Ca -0.02 -1.64 -0.05 0.00 0.00 0.00 0.00 61.98 60.27 2ayy s VAL 763 Cb -0.12 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.98 2ayy s VAL 763 CO 0.03 -0.03 0.02 -0.89 0.00 0.00 0.00 175.10 174.22 2ayy s THR 764 N 1.10 3.61 -0.93 3.92 2.01 -0.60 -0.62 115.64 124.13 2ayy s THR 764 Ca -0.09 -0.65 -0.05 0.00 0.31 0.00 0.00 61.69 61.21 2ayy s THR 764 Cb -0.20 -2.78 0.23 0.00 0.01 0.00 0.00 72.50 69.76 2ayy s THR 764 CO -0.05 0.23 0.85 -0.36 -0.69 0.00 0.00 174.62 174.59 2ayy s PHE 765 N 1.47 3.96 0.04 4.92 0.40 -0.06 -1.06 117.98 127.65 2ayy s PHE 765 Ca 0.03 -2.84 0.03 0.00 -0.60 0.00 0.00 56.93 53.56 2ayy s PHE 765 Cb -0.16 -3.45 -0.04 0.00 0.51 0.00 0.00 43.02 39.88 2ayy s PHE 765 CO -0.00 -0.83 -0.01 0.00 0.70 0.00 0.00 175.22 175.08 2ayy s ARG 767 N -1.85 4.11 3.78 0.00 1.81 -1.26 -4.03 118.95 121.51 2ayy s ARG 767 Ca 0.22 -2.81 0.00 0.00 -1.72 0.00 0.00 55.73 51.42 2ayy s ARG 767 Cb -0.12 -4.84 0.00 0.00 -0.45 0.00 0.00 34.95 29.54 2ayy s ARG 767 CO 0.13 -1.55 0.00 0.54 -0.68 0.00 0.00 175.30 173.75 2ayy n ARG 768 N 4.46 0.00 -1.85 3.54 3.00 -1.26 -5.01 116.66 119.54 2ayy n ARG 768 Ca 0.31 0.00 -0.01 0.00 -0.01 0.00 0.00 57.85 58.14 2ayy n ARG 768 Cb 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.87 2ayy n ARG 768 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 2ayy n HIS 769 N 0.80 -1.25 -1.68 -1.55 -0.00 -1.26 -4.85 115.22 105.44 2ayy n HIS 769 Ca 0.00 0.61 -0.42 0.00 0.46 0.00 0.00 57.72 58.37 2ayy n HIS 769 Cb 0.00 -2.25 -0.02 0.00 -0.12 0.00 0.00 29.99 27.60 2ayy n HIS 769 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 2ayy n ILE 770 N 0.30 2.95 0.00 3.57 5.41 -1.26 -4.02 119.36 126.31 2ayy n ILE 770 Ca -0.04 -2.67 0.00 0.00 1.00 0.00 0.00 62.75 61.04 2ayy n ILE 770 Cb 0.06 -2.47 0.00 0.00 -0.71 0.00 0.00 39.64 36.51 2ayy n ILE 770 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ayy n GLY 771 N 4.46 0.00 3.88 7.39 0.00 -1.26 -5.06 105.19 114.60 2ayy n GLY 771 Ca 0.51 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.71 5.23 0.24 -0.61 1.01 -1.26 -5.06 121.20 119.05 2ayy s ILE 772 Ca 0.00 0.23 -0.31 0.00 0.00 0.00 0.00 60.65 60.57 2ayy s ILE 772 Cb 0.00 -3.60 -0.13 0.00 0.01 0.00 0.00 42.46 38.74 2ayy s ILE 772 CO 0.00 0.32 1.43 -2.65 0.00 0.00 0.00 174.94 174.04 2ayy n PRO 773 N 0.97 2.10 -3.76 2.79 -0.02 -1.26 -4.96 135.00 130.87 2ayy n PRO 773 Ca -0.10 0.75 -0.32 0.00 -2.02 0.00 0.00 63.50 61.82 2ayy n PRO 773 Cb 0.53 -2.42 -0.09 0.00 -0.02 0.00 0.00 33.50 31.49 2ayy n PRO 773 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2ayy n LEU 774 N 2.16 3.62 0.00 2.45 -0.00 -1.26 -4.98 117.00 118.99 2ayy n LEU 774 Ca 0.11 -5.19 0.00 0.00 -0.00 0.00 0.00 56.01 50.94 2ayy n LEU 774 Cb 0.32 -0.92 0.00 0.00 -0.00 0.00 0.00 43.42 42.82 2ayy n LEU 774 CO 0.63 1.68 0.00 1.21 -0.00 0.00 0.00 177.39 180.91 2ayy n GLU 775 N 2.06 0.00 -3.28 1.47 2.13 -1.26 -4.86 120.64 116.90 2ayy n GLU 775 Ca 0.21 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.80 2ayy n GLU 775 Cb 0.36 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.08 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 14.00 -4.07 -3.35 5.31 4.76 -1.26 -4.94 118.16 128.62 2ayy n LYS 776 Ca 0.00 0.63 0.02 0.00 -2.87 0.00 0.00 58.31 56.09 2ayy n LYS 776 Cb 0.00 -5.41 -0.04 0.00 -1.84 0.00 0.00 35.03 27.75 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 -3.04 -2.82 -0.21 7.82 0.00 -1.26 -5.12 121.76 117.13 2ayy s ALA 777 Ca 0.38 1.94 -0.32 0.00 0.00 0.00 0.00 51.96 53.97 2ayy s ALA 777 Cb -0.19 -2.13 -0.09 0.00 0.00 0.00 0.00 23.12 20.71 2ayy s ALA 777 CO 0.47 -1.04 2.12 -2.30 0.00 0.00 0.00 175.76 175.01 2ayy n PRO 778 N 5.05 1.81 0.00 0.00 -0.02 -1.26 -2.28 135.00 138.29 2ayy n PRO 778 Ca -0.08 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 2ayy n PRO 778 Cb 0.53 -2.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 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 5.60 1.23 3.09 -1.23 0.00 -1.26 -5.12 105.19 107.50 2ayy n GLY 779 Ca 0.31 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 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 0.61 0.16 1.61 -1.05 -0.97 -1.22 118.70 117.85 2ayy s GLU 780 Ca 0.00 -0.88 0.08 0.00 -0.15 0.00 0.00 54.97 54.02 2ayy s GLU 780 Cb 0.00 -0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 33.30 2ayy s GLU 780 CO 0.00 0.06 -0.16 -1.58 0.95 0.00 0.00 175.26 174.53 2ayy s TRP 781 N -1.73 1.67 -0.01 4.83 0.52 0.33 -4.58 118.94 119.97 2ayy s TRP 781 Ca -0.05 -0.53 0.00 0.00 0.02 0.00 0.00 56.10 55.54 2ayy s TRP 781 Cb -0.08 -0.83 0.01 0.00 -1.15 0.00 0.00 33.47 31.43 2ayy s TRP 781 CO -0.00 0.29 0.01 0.54 0.02 0.00 0.00 176.95 177.80 2ayy s VAL 782 N -2.35 0.03 0.12 4.03 0.11 -1.26 -1.56 120.40 119.53 2ayy s VAL 782 Ca 0.16 0.08 -0.24 0.00 -2.93 0.00 0.00 61.98 59.05 2ayy s VAL 782 Cb -0.04 -0.10 0.07 0.00 -1.53 0.00 0.00 36.38 34.78 2ayy s VAL 782 CO 0.06 0.06 0.61 -2.28 -3.33 0.00 0.00 175.10 170.22 2ayy s HIS 783 N 0.55 -0.55 0.15 1.54 5.04 -0.22 -4.99 115.29 116.81 2ayy s HIS 783 Ca -0.05 0.45 -0.09 0.00 -1.54 0.00 0.00 55.06 53.83 2ayy s HIS 783 Cb -0.07 0.53 -0.06 0.00 0.04 0.00 0.00 32.58 33.01 2ayy s HIS 783 CO -0.01 -0.81 0.47 -1.12 -2.34 0.00 0.00 174.74 170.93 2ayy s SER 784 N -2.49 6.64 0.00 9.88 0.01 -1.26 -0.97 113.70 125.50 2ayy s SER 784 Ca -0.01 0.84 0.00 0.00 1.31 0.00 0.00 55.95 58.09 2ayy s SER 784 Cb -0.01 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 64.03 2ayy s SER 784 CO -0.09 0.05 0.56 0.52 0.41 0.00 0.00 173.24 174.69 2ayy n VAL 785 N 0.37 0.00 0.25 3.43 0.31 -1.26 -3.54 118.33 117.88 2ayy n VAL 785 Ca -0.03 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.41 2ayy n VAL 785 Cb 0.52 -0.31 0.64 0.00 -0.91 0.00 0.00 33.84 33.77 2ayy n VAL 785 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ayy h ALA 786 N 2.13 1.25 -3.14 3.52 0.00 -1.96 -3.31 119.26 117.75 2ayy h ALA 786 Ca 0.00 -0.15 -0.62 0.00 0.00 0.00 0.00 54.91 54.14 2ayy h ALA 786 Cb 0.29 -0.03 -0.41 0.00 0.00 0.00 0.00 17.79 17.65 2ayy h ALA 786 CO 0.00 0.21 -0.66 0.00 0.00 0.00 0.00 179.25 178.79 2ayy s ALA 787 N -4.10 3.02 0.11 0.00 0.00 -1.23 -4.96 121.76 114.60 2ayy s ALA 787 Ca -0.02 -3.19 0.33 0.00 0.00 0.00 0.00 51.96 49.08 2ayy s ALA 787 Cb 0.13 -2.06 1.60 0.00 0.00 0.00 0.00 23.12 22.79 2ayy s ALA 787 CO 0.61 -2.05 2.00 -1.00 0.00 0.00 0.00 175.76 175.32 2ayy h PRO 788 N 6.24 0.00 -0.05 0.00 0.13 -1.87 -1.90 132.00 134.55 2ayy h PRO 788 Ca 0.01 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.05 2ayy h PRO 788 Cb 0.87 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.98 2ayy h PRO 788 CO 0.62 0.00 -0.40 1.25 -0.23 0.00 0.00 178.00 179.25 2ayy h HIS 789 N 0.00 0.11 0.00 1.56 -0.00 -1.94 -2.83 115.15 112.05 2ayy h HIS 789 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 2ayy h HIS 789 Cb 0.23 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.61 2ayy h HIS 789 CO 0.00 0.48 0.00 0.93 -0.00 0.00 0.00 177.93 179.34 2ayy h GLU 790 N 0.08 0.00 0.60 5.26 4.39 -1.75 -3.12 114.58 120.04 2ayy h GLU 790 Ca 0.01 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 2ayy h GLU 790 Cb 0.74 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.40 2ayy h GLU 790 CO 0.06 0.00 -0.29 1.25 -1.16 0.00 0.00 179.01 178.87 2ayy h LEU 791 N 0.00 -0.68 -1.15 1.33 5.85 -1.60 -0.02 115.31 119.03 2ayy h LEU 791 Ca 0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 2ayy h LEU 791 Cb 0.64 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 2ayy h LEU 791 CO 0.00 -0.29 -0.34 -0.65 -0.34 0.00 0.00 178.44 176.82 2ayy h PRO 792 N -1.18 0.00 -0.25 5.25 0.11 -1.72 -2.12 132.00 132.08 2ayy h PRO 792 Ca -0.08 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.98 2ayy h PRO 792 Cb 0.64 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 2ayy h PRO 792 CO 0.14 0.34 -0.04 0.00 -0.21 0.00 0.00 178.00 178.23 2ayy h ALA 793 N 1.66 0.35 -0.47 -0.75 0.00 -1.56 -0.68 119.26 117.81 2ayy h ALA 793 Ca -0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 2ayy h ALA 793 Cb 0.77 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2ayy h ALA 793 CO 0.04 0.13 0.08 -0.07 0.00 0.00 0.00 179.25 179.44 2ayy h LEU 794 N 0.23 0.75 -0.44 0.00 4.07 -0.81 -0.14 115.31 118.96 2ayy h LEU 794 Ca 0.07 -0.26 0.03 0.00 0.08 0.00 0.00 57.88 57.80 2ayy h LEU 794 Cb 0.49 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 42.00 2ayy h LEU 794 CO 0.02 0.81 0.24 -0.07 -1.08 0.00 0.00 178.44 178.36 2ayy h LEU 795 N 0.65 0.36 -0.30 1.67 -0.00 -1.33 -0.09 115.31 116.27 2ayy h LEU 795 Ca 0.14 0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 58.04 2ayy h LEU 795 Cb 0.38 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 40.97 2ayy h LEU 795 CO 0.01 0.26 0.18 0.00 -0.00 0.00 0.00 178.44 178.89 2ayy h ALA 796 N 1.22 0.39 -0.59 1.53 0.00 -0.89 -0.93 119.26 119.98 2ayy h ALA 796 Ca 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2ayy h ALA 796 Cb 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2ayy h ALA 796 CO -0.11 -0.11 0.38 -0.09 0.00 0.00 0.00 179.25 179.32 2ayy h ARG 797 N 0.38 0.79 -0.22 0.00 2.43 -0.60 0.61 114.38 117.78 2ayy h ARG 797 Ca 0.11 -0.06 -0.19 0.00 -0.81 0.00 0.00 59.98 59.03 2ayy h ARG 797 Cb 0.02 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 2ayy h ARG 797 CO -0.02 0.54 -0.63 0.82 -1.51 0.00 0.00 179.97 179.17 2ayy h ILE 798 N 0.81 1.29 -0.20 1.20 2.04 -0.63 -3.04 117.51 118.98 2ayy h ILE 798 Ca 0.22 -1.84 0.00 0.00 1.00 0.00 0.00 64.86 64.23 2ayy h ILE 798 Cb -0.07 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 2ayy h ILE 798 CO -0.04 0.59 0.00 0.00 0.00 0.00 0.00 178.15 178.69 2ayy n TYR 799 N -3.96 0.26 -3.02 1.37 4.19 -0.39 -4.93 117.16 110.68 2ayy n TYR 799 Ca -0.05 -0.13 -0.13 0.00 3.31 0.00 0.00 57.90 60.91 2ayy n TYR 799 Cb 0.66 0.00 0.06 0.00 0.49 0.00 0.00 39.34 40.55 2ayy n TYR 799 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 2ayy n LEU 800 N 0.36 -3.21 -4.27 2.98 4.77 0.32 -5.04 117.00 112.91 2ayy n LEU 800 Ca 0.15 -0.39 -0.18 0.00 -0.03 0.00 0.00 56.01 55.56 2ayy n LEU 800 Cb 0.33 -2.21 -0.11 0.00 -2.33 0.00 0.00 43.42 39.10 2ayy n LEU 800 CO 0.12 0.30 -0.45 -0.63 -1.33 0.00 0.00 177.39 175.41 2ayy s ILE 801 N -3.23 1.45 -0.28 -0.08 1.01 0.19 -5.00 121.20 115.25 2ayy s ILE 801 Ca 0.12 -1.85 0.02 0.00 0.00 0.00 0.00 60.65 58.93 2ayy s ILE 801 Cb -0.05 -1.69 0.08 0.00 0.01 0.00 0.00 42.46 40.81 2ayy s ILE 801 CO 0.48 -0.46 -0.01 -1.61 0.00 0.00 0.00 174.94 173.34 2ayy s GLU 802 N -2.94 1.52 -0.42 2.79 2.02 -1.26 -3.64 118.70 116.77 2ayy s GLU 802 Ca 0.13 -1.32 0.09 0.00 0.02 0.00 0.00 54.97 53.88 2ayy s GLU 802 Cb -0.04 -2.72 0.32 0.00 0.10 0.00 0.00 34.13 31.79 2ayy s GLU 802 CO 0.04 -0.76 0.89 0.00 0.02 0.00 0.00 175.26 175.45 2ayy n MET 803 N 4.54 0.95 -3.98 1.61 0.00 -1.26 -5.12 117.12 113.86 2ayy n MET 803 Ca -0.06 -2.60 -0.12 0.00 0.00 0.00 0.00 57.70 54.92 2ayy n MET 803 Cb 0.43 -1.36 -0.02 0.00 0.00 0.00 0.00 33.22 32.27 2ayy n MET 803 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2ayy s GLU 804 N -0.90 1.95 -0.43 3.17 0.41 -1.26 -4.89 118.70 116.74 2ayy s GLU 804 Ca 0.31 -1.54 0.03 0.00 -0.41 0.00 0.00 54.97 53.36 2ayy s GLU 804 Cb 0.30 0.51 0.12 0.00 -1.78 0.00 0.00 34.13 33.28 2ayy s GLU 804 CO -0.08 -0.85 0.18 -1.12 -0.49 0.00 0.00 175.26 172.90 2ayy s SER 805 N -3.14 4.24 -1.01 -0.19 0.01 -1.26 -5.04 113.70 107.32 2ayy s SER 805 Ca 0.24 -2.54 -0.08 0.00 1.31 0.00 0.00 55.95 54.87 2ayy s SER 805 Cb -0.02 -1.41 0.25 0.00 0.21 0.00 0.00 66.02 65.06 2ayy s SER 805 CO 0.15 -0.30 0.97 -0.62 0.41 0.00 0.00 173.24 173.85 2ayy s ASP 806 N 0.39 6.92 0.09 2.44 2.15 -1.26 -5.04 116.67 122.36 2ayy s ASP 806 Ca 0.15 -3.44 -0.25 0.00 0.43 0.00 0.00 52.55 49.44 2ayy s ASP 806 Cb -0.23 -2.14 -0.06 0.00 -0.30 0.00 0.00 42.92 40.18 2ayy s ASP 806 CO -0.05 -0.32 0.76 1.51 -0.17 0.00 0.00 175.17 176.90 2ayy s ASP 807 N 1.18 7.27 -0.54 -0.34 -4.77 -1.26 -4.96 116.67 113.23 2ayy s ASP 807 Ca 0.27 1.51 -0.26 0.00 -3.30 0.00 0.00 52.55 50.77 2ayy s ASP 807 Cb -0.10 -2.47 -0.08 0.00 -1.09 0.00 0.00 42.92 39.18 2ayy s ASP 807 CO -0.09 0.09 2.39 -2.84 0.70 0.00 0.00 175.17 175.42 2ayy s PRO 808 N -0.47 2.03 -0.51 2.11 0.02 -1.26 -4.85 135.00 132.09 2ayy s PRO 808 Ca 0.37 1.23 0.07 0.00 0.02 0.00 0.00 61.00 62.70 2ayy s PRO 808 Cb -0.21 -4.61 0.28 0.00 0.02 0.00 0.00 34.50 29.97 2ayy s PRO 808 CO 0.24 -3.45 0.69 0.00 -0.33 0.00 0.00 177.00 174.15 2ayy n ALA 809 N 16.26 3.29 -2.34 -1.55 0.00 -1.26 -5.07 120.51 129.83 2ayy n ALA 809 Ca 0.38 -4.09 -0.43 0.00 0.00 0.00 0.00 53.44 49.30 2ayy n ALA 809 Cb 0.53 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 19.11 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 -2.14 6.39 -0.25 0.00 2.47 -1.26 -4.99 114.94 115.16 2ayy s ASN 810 Ca 0.39 0.94 -0.18 0.00 0.42 0.00 0.00 52.86 54.44 2ayy s ASN 810 Cb 0.20 -2.54 -0.03 0.00 -1.45 0.00 0.00 41.25 37.44 2ayy s ASN 810 CO -0.07 -1.37 0.53 0.00 -3.72 0.00 0.00 177.10 172.47 2ayy s ALA 811 N 5.27 3.59 -0.40 1.71 0.00 -1.26 -5.04 121.76 125.63 2ayy s ALA 811 Ca 0.61 -0.54 -0.12 0.00 0.00 0.00 0.00 51.96 51.91 2ayy s ALA 811 Cb -0.15 -2.90 0.04 0.00 0.00 0.00 0.00 23.12 20.11 2ayy s ALA 811 CO 0.31 -0.69 0.25 -1.17 0.00 0.00 0.00 175.76 174.46 2ayy s LEU 812 N 2.21 4.95 0.30 0.00 2.96 -1.26 -5.07 118.68 122.78 2ayy s LEU 812 Ca 0.22 -1.06 -0.29 0.00 -0.22 0.00 0.00 54.13 52.79 2ayy s LEU 812 Cb -0.16 -2.07 -0.12 0.00 0.50 0.00 0.00 46.19 44.34 2ayy s LEU 812 CO 0.09 -0.44 1.39 -2.65 -1.32 0.00 0.00 176.35 173.42 2ayy n PRO 813 N 5.05 2.23 -0.28 0.98 -0.02 -1.26 -4.90 135.00 136.80 2ayy n PRO 813 Ca -0.11 0.79 -0.04 0.00 -2.02 0.00 0.00 63.50 62.11 2ayy n PRO 813 Cb 0.46 -2.43 0.10 0.00 -0.02 0.00 0.00 33.50 31.60 2ayy n PRO 813 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2ayy h SER 814 N 3.45 1.06 0.00 2.55 4.64 -2.06 -3.43 113.55 119.76 2ayy h SER 814 Ca -0.46 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 2ayy h SER 814 Cb 1.27 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2ayy h SER 814 CO 0.69 0.91 0.00 0.35 -0.87 0.00 0.00 176.83 177.91 2ayy n THR 815 N -4.30 0.00 -1.08 2.95 -2.24 -1.26 -5.36 114.28 102.99 2ayy n THR 815 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2ayy n THR 815 Cb 0.15 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 2ayy n THR 815 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60