#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 0.09 3.25 -5.12 0.00 -1.26 -5.08 105.19 97.07 2ayy n GLY 697 Ca 0.00 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.18 1.30 -0.15 -0.02 0.00 -1.26 -5.11 107.32 99.91 2ayy s GLY 698 Ca 0.00 -1.02 -0.09 0.00 0.00 0.00 0.00 44.72 43.61 2ayy s GLY 698 CO 0.00 -0.56 0.36 -0.56 0.00 0.00 0.00 173.10 172.34 2ayy s SER 699 N -0.03 -0.43 0.46 1.64 0.01 -1.26 -5.17 113.70 108.91 2ayy s SER 699 Ca -0.08 0.77 0.03 0.00 1.31 0.00 0.00 55.95 57.99 2ayy s SER 699 Cb -0.15 0.68 -0.01 0.00 0.21 0.00 0.00 66.02 66.75 2ayy s SER 699 CO 0.05 -0.18 0.10 -0.83 0.41 0.00 0.00 173.24 172.79 2ayy s GLY 700 N 1.16 2.87 0.08 3.44 0.00 -1.26 -5.17 107.32 108.44 2ayy s GLY 700 Ca -0.08 -0.74 -0.26 0.00 0.00 0.00 0.00 44.72 43.64 2ayy s GLY 700 CO -0.10 -1.97 0.71 0.54 0.00 0.00 0.00 173.10 172.28 2ayy s VAL 701 N -3.07 0.00 0.46 1.40 0.11 -1.26 -5.19 120.40 112.85 2ayy s VAL 701 Ca 0.14 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.26 2ayy s VAL 701 Cb 0.01 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.85 2ayy s VAL 701 CO 0.10 0.00 0.30 -1.61 -3.33 0.00 0.00 175.10 170.56 2ayy s GLU 702 N -3.17 2.32 -0.45 1.54 2.02 -1.26 -5.11 118.70 114.58 2ayy s GLU 702 Ca 0.01 -1.84 0.06 0.00 0.02 0.00 0.00 54.97 53.22 2ayy s GLU 702 Cb -0.01 -2.11 0.19 0.00 0.10 0.00 0.00 34.13 32.30 2ayy s GLU 702 CO -0.09 -0.31 0.71 0.20 0.02 0.00 0.00 175.26 175.80 2ayy s GLY 703 N -4.09 -1.30 -0.06 -1.39 0.00 -1.26 -5.15 107.32 94.08 2ayy s GLY 703 Ca 0.39 0.01 0.04 0.00 0.00 0.00 0.00 44.72 45.16 2ayy s GLY 703 CO 0.23 3.72 -0.16 0.48 0.00 0.00 0.00 173.10 177.37 2ayy s LEU 704 N 1.40 2.63 0.18 0.66 2.34 -1.26 -5.12 118.68 119.50 2ayy s LEU 704 Ca 0.22 -0.25 -0.12 0.00 0.06 0.00 0.00 54.13 54.03 2ayy s LEU 704 Cb -0.01 -1.53 -0.07 0.00 -0.56 0.00 0.00 46.19 44.02 2ayy s LEU 704 CO -0.07 0.32 0.55 -0.44 -1.06 0.00 0.00 176.35 175.65 2ayy s SER 705 N -0.57 6.74 0.00 1.48 0.01 -1.26 -5.09 113.70 115.01 2ayy s SER 705 Ca 0.08 1.01 0.00 0.00 1.31 0.00 0.00 55.95 58.35 2ayy s SER 705 Cb -0.11 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.85 2ayy s SER 705 CO 0.01 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.30 2ayy n GLY 706 N 0.42 1.47 3.80 3.44 0.00 -1.26 -5.08 105.19 107.98 2ayy n GLY 706 Ca -0.03 -1.66 -0.36 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 2.47 3.25 0.18 1.61 0.00 -1.26 -5.01 119.74 120.97 2ayy s LYS 707 Ca 0.00 -0.25 0.06 0.00 0.00 0.00 0.00 55.97 55.78 2ayy s LYS 707 Cb 0.00 -3.02 -0.04 0.00 0.00 0.00 0.00 37.83 34.77 2ayy s LYS 707 CO 0.00 0.75 0.09 0.50 0.00 0.00 0.00 175.35 176.68 2ayy s ARG 708 N -0.99 2.70 0.07 1.78 3.00 -1.26 -1.61 118.95 122.63 2ayy s ARG 708 Ca 0.15 -0.99 -0.06 0.00 -1.00 0.00 0.00 55.73 53.82 2ayy s ARG 708 Cb -0.12 -2.52 -0.01 0.00 0.00 0.00 0.00 34.95 32.30 2ayy s ARG 708 CO 0.04 0.46 0.11 0.00 0.00 0.00 0.00 175.30 175.91 2ayy s TRP 710 N -3.56 2.11 -0.06 0.00 0.52 0.03 -1.14 118.94 116.83 2ayy s TRP 710 Ca 0.03 -0.39 -0.02 0.00 0.02 0.00 0.00 56.10 55.73 2ayy s TRP 710 Cb 0.04 -1.14 0.04 0.00 -1.15 0.00 0.00 33.47 31.26 2ayy s TRP 710 CO -0.09 0.30 0.13 -0.48 0.02 0.00 0.00 176.95 176.82 2ayy s LEU 711 N -2.04 0.56 -0.72 2.99 2.34 -0.03 -0.79 118.68 120.99 2ayy s LEU 711 Ca 0.11 0.26 0.04 0.00 0.06 0.00 0.00 54.13 54.60 2ayy s LEU 711 Cb -0.10 0.25 0.21 0.00 -0.56 0.00 0.00 46.19 45.99 2ayy s LEU 711 CO 0.05 -0.17 0.67 0.00 -1.06 0.00 0.00 176.35 175.84 2ayy n ALA 712 N 4.52 3.78 -3.11 1.48 0.00 0.56 -0.76 120.51 126.97 2ayy n ALA 712 Ca -0.21 -4.64 -0.35 0.00 0.00 0.00 0.00 53.44 48.24 2ayy n ALA 712 Cb 0.51 -1.12 -0.13 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.89 3.96 -0.03 0.00 1.01 -1.26 -2.32 120.40 119.87 2ayy s VAL 713 Ca 0.31 -0.31 0.16 0.00 0.00 0.00 0.00 61.98 62.14 2ayy s VAL 713 Cb 0.03 -2.79 0.07 0.00 0.00 0.00 0.00 36.38 33.68 2ayy s VAL 713 CO -0.10 0.42 1.53 0.03 0.00 0.00 0.00 175.10 176.99 2ayy h ARG 714 N 7.55 0.00 -6.13 2.72 2.47 -1.97 -3.39 114.38 115.64 2ayy h ARG 714 Ca -0.36 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 57.84 2ayy h ARG 714 Cb 1.18 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 29.42 2ayy h ARG 714 CO 0.61 0.50 1.22 1.21 0.56 0.00 0.00 179.97 184.06 2ayy s ASN 715 N -6.46 6.02 0.29 7.04 3.84 -1.26 -4.86 114.94 119.55 2ayy s ASN 715 Ca 0.02 -0.75 -0.01 0.00 0.21 0.00 0.00 52.86 52.34 2ayy s ASN 715 Cb 0.09 -2.56 0.46 0.00 -0.55 0.00 0.00 41.25 38.69 2ayy s ASN 715 CO 0.73 -1.92 1.93 0.00 -2.79 0.00 0.00 177.10 175.05 2ayy h ALA 716 N 10.79 1.44 -0.06 1.71 0.00 -1.99 0.25 119.26 131.40 2ayy h ALA 716 Ca -0.05 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2ayy h ALA 716 Cb 1.04 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2ayy h ALA 716 CO 1.32 0.47 0.00 0.66 0.00 0.00 0.00 179.25 181.70 2ayy h SER 717 N 1.11 -0.01 0.06 0.00 4.64 -1.95 -1.09 113.55 116.31 2ayy h SER 717 Ca 0.36 0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.54 2ayy h SER 717 Cb 0.03 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2ayy h SER 717 CO -0.11 0.00 -0.50 0.25 -0.87 0.00 0.00 176.83 175.61 2ayy h LEU 718 N 0.03 0.54 0.31 5.97 7.12 -1.82 -1.71 115.31 125.75 2ayy h LEU 718 Ca 0.03 -0.27 -0.01 0.00 0.13 0.00 0.00 57.88 57.75 2ayy h LEU 718 Cb 0.03 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.00 2ayy h LEU 718 CO -0.04 0.95 -0.16 0.00 -0.13 0.00 0.00 178.44 179.05 2ayy h GLN 720 N -0.44 0.59 0.47 0.00 -0.00 -1.23 -1.53 115.11 112.97 2ayy h GLN 720 Ca -0.04 -0.38 -0.02 0.00 -0.00 0.00 0.00 58.65 58.21 2ayy h GLN 720 Cb 0.35 0.05 0.00 0.00 0.00 0.00 0.00 27.48 27.88 2ayy h GLN 720 CO 0.06 1.00 -0.23 0.35 0.00 0.00 0.00 178.83 180.01 2ayy h PHE 721 N 0.45 -0.59 -0.47 3.99 3.57 -1.20 -2.37 116.94 120.32 2ayy h PHE 721 Ca 0.00 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 2ayy h PHE 721 Cb 1.12 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 2ayy h PHE 721 CO 0.05 -0.35 -0.10 1.25 -2.23 0.00 0.00 178.31 176.93 2ayy h LEU 722 N -0.66 0.90 -0.98 0.59 5.85 -0.92 -2.16 115.31 117.94 2ayy h LEU 722 Ca -0.06 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 2ayy h LEU 722 Cb 0.50 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 2ayy h LEU 722 CO 0.11 1.05 0.50 1.05 -0.34 0.00 0.00 178.44 180.81 2ayy h GLU 723 N 0.74 1.22 -0.13 1.25 4.11 -1.28 -1.43 114.58 119.05 2ayy h GLU 723 Ca 0.12 -0.13 -0.11 0.00 0.07 0.00 0.00 59.36 59.31 2ayy h GLU 723 Cb 0.65 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2ayy h GLU 723 CO 0.04 0.87 -0.40 1.15 0.07 0.00 0.00 179.01 180.74 2ayy h THR 724 N 1.23 1.31 -0.76 -1.06 2.02 -1.24 -2.09 112.91 112.31 2ayy h THR 724 Ca 0.31 -1.52 -0.01 0.00 0.77 0.00 0.00 66.41 65.97 2ayy h THR 724 Cb -0.01 1.66 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 2ayy h THR 724 CO -0.05 0.46 0.43 0.28 0.37 0.00 0.00 175.52 177.00 2ayy h SER 725 N 0.24 0.94 0.85 4.18 0.02 -0.61 -1.55 113.55 117.62 2ayy h SER 725 Ca 0.02 -0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.80 2ayy h SER 725 Cb 0.82 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 2ayy h SER 725 CO 0.06 0.76 -0.40 -0.07 -1.14 0.00 0.00 176.83 176.04 2ayy h LEU 726 N 1.05 0.00 0.00 5.07 3.38 -1.26 -2.79 115.31 120.76 2ayy h LEU 726 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2ayy h LEU 726 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2ayy h LEU 726 CO -0.05 0.40 0.00 0.00 0.09 0.00 0.00 178.44 178.89 2ayy n GLN 727 N -3.54 0.16 0.04 1.13 6.02 -0.62 -1.47 117.38 119.09 2ayy n GLN 727 Ca -0.00 0.14 0.01 0.00 -0.01 0.00 0.00 57.00 57.13 2ayy n GLN 727 Cb 0.53 -1.50 0.33 0.00 1.02 0.00 0.00 30.24 30.62 2ayy n GLN 727 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ayy h ARG 728 N 0.00 0.43 0.00 -1.09 2.47 -1.16 -2.43 114.38 112.59 2ayy h ARG 728 Ca 0.00 -0.09 -0.08 0.00 -1.26 0.00 0.00 59.98 58.55 2ayy h ARG 728 Cb 0.23 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.48 2ayy h ARG 728 CO 0.00 0.49 -0.49 0.77 0.56 0.00 0.00 179.97 181.29 2ayy h SER 729 N 0.41 0.00 0.00 7.04 0.02 -1.46 -3.47 113.55 116.09 2ayy h SER 729 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2ayy h SER 729 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2ayy h SER 729 CO 0.01 0.38 0.00 0.61 -1.14 0.00 0.00 176.83 176.69 2ayy n GLY 730 N 1.21 1.03 3.74 -3.77 0.00 -0.92 -5.08 105.19 101.41 2ayy n GLY 730 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 2.99 -0.17 -0.61 1.01 -1.22 -4.80 121.20 116.39 2ayy s ILE 731 Ca 0.00 0.81 -0.25 0.00 0.00 0.00 0.00 60.65 61.22 2ayy s ILE 731 Cb 0.00 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.93 2ayy s ILE 731 CO 0.00 0.12 0.82 0.54 0.00 0.00 0.00 174.94 176.42 2ayy s VAL 732 N 0.10 4.89 0.00 2.92 0.11 -0.64 -4.36 120.40 123.43 2ayy s VAL 732 Ca 0.58 1.60 -0.02 0.00 -2.93 0.00 0.00 61.98 61.21 2ayy s VAL 732 Cb -0.39 -4.12 -0.04 0.00 -1.53 0.00 0.00 36.38 30.30 2ayy s VAL 732 CO 0.40 0.03 0.17 0.68 -3.33 0.00 0.00 175.10 173.05 2ayy s VAL 733 N 2.15 5.33 -0.08 2.04 -7.23 -1.26 -0.97 120.40 120.38 2ayy s VAL 733 Ca 0.37 -0.23 -0.03 0.00 -1.81 0.00 0.00 61.98 60.28 2ayy s VAL 733 Cb -0.16 -3.50 0.05 0.00 0.56 0.00 0.00 36.38 33.32 2ayy s VAL 733 CO 0.12 0.30 0.17 -0.89 -0.31 0.00 0.00 175.10 174.49 2ayy s THR 734 N -1.33 -0.17 -0.09 5.32 2.01 -0.29 -4.93 115.64 116.15 2ayy s THR 734 Ca 0.28 0.26 -0.29 0.00 0.31 0.00 0.00 61.69 62.24 2ayy s THR 734 Cb -0.13 -0.30 -0.05 0.00 0.01 0.00 0.00 72.50 72.04 2ayy s THR 734 CO 0.19 0.11 1.64 -0.89 -0.69 0.00 0.00 174.62 174.98 2ayy s THR 735 N 1.76 3.63 -1.15 -0.82 2.01 -1.26 -0.85 115.64 118.96 2ayy s THR 735 Ca -0.03 0.75 -0.19 0.00 0.31 0.00 0.00 61.69 62.53 2ayy s THR 735 Cb -0.12 -3.52 0.08 0.00 0.01 0.00 0.00 72.50 68.95 2ayy s THR 735 CO -0.06 -0.10 1.54 -0.47 -0.69 0.00 0.00 174.62 174.83 2ayy s TYR 736 N 4.28 2.80 -0.07 4.92 5.04 0.06 -4.71 117.35 129.67 2ayy s TYR 736 Ca 0.72 -1.37 0.13 0.00 -2.44 0.00 0.00 57.07 54.12 2ayy s TYR 736 Cb -0.31 -4.64 -0.09 0.00 0.35 0.00 0.00 41.96 37.27 2ayy s TYR 736 CO 0.29 -1.78 1.15 0.93 -1.34 0.00 0.00 175.55 174.80 2ayy h GLU 737 N 8.48 0.00 0.00 4.97 4.39 -1.91 -3.40 114.58 127.11 2ayy h GLU 737 Ca 0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.01 2ayy h GLU 737 Cb 0.94 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 2ayy h GLU 737 CO 1.39 0.56 0.00 0.41 -1.16 0.00 0.00 179.01 180.21 2ayy n GLY 738 N 1.34 0.00 0.00 -3.84 0.00 -1.26 -5.17 105.19 96.25 2ayy n GLY 738 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 3.97 -3.23 1.61 3.00 -1.26 -5.07 117.38 116.39 2ayy n GLN 739 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.59 2ayy n GLN 739 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.16 2ayy n GLN 739 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2ayy s GLU 740 N 3.31 4.07 -0.14 -1.09 8.01 -1.26 -5.04 118.70 126.56 2ayy s GLU 740 Ca 0.00 0.33 -0.29 0.00 0.01 0.00 0.00 54.97 55.01 2ayy s GLU 740 Cb 0.00 -3.65 -0.01 0.00 -4.31 0.00 0.00 34.13 26.16 2ayy s GLU 740 CO 0.00 -0.35 1.05 -2.14 0.01 0.00 0.00 175.26 173.84 2ayy s PRO 741 N 2.29 4.35 -0.06 0.39 0.02 -1.26 -5.05 135.00 135.68 2ayy s PRO 741 Ca 0.21 1.43 -0.01 0.00 0.02 0.00 0.00 61.00 62.65 2ayy s PRO 741 Cb -0.16 -3.59 -0.03 0.00 0.02 0.00 0.00 34.50 30.74 2ayy s PRO 741 CO 0.09 -0.45 0.01 0.99 -0.33 0.00 0.00 177.00 177.31 2ayy s THR 742 N 2.49 4.30 0.00 0.99 2.01 -1.26 -4.84 115.64 119.33 2ayy s THR 742 Ca 0.48 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.14 2ayy s THR 742 Cb -0.18 -2.84 0.00 0.00 0.01 0.00 0.00 72.50 69.49 2ayy s THR 742 CO 0.14 0.54 0.65 -2.65 -0.69 0.00 0.00 174.62 172.61 2ayy n PRO 743 N 1.91 0.60 0.00 4.92 -0.02 -1.26 -2.70 135.00 138.45 2ayy n PRO 743 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2ayy n PRO 743 Cb 0.53 -1.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.81 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 0.77 1.46 -3.39 -0.52 -0.58 -1.26 -3.89 120.64 113.23 2ayy n GLU 744 Ca 0.00 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.55 2ayy n GLU 744 Cb 0.30 -0.90 -0.01 0.00 -0.57 0.00 0.00 31.44 30.27 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 -3.24 5.68 0.08 1.62 1.11 -1.10 -4.65 116.67 116.17 2ayy s ASP 745 Ca 0.00 -0.36 0.05 0.00 0.18 0.00 0.00 52.55 52.42 2ayy s ASP 745 Cb 0.00 -0.95 -0.04 0.00 1.07 0.00 0.00 42.92 43.00 2ayy s ASP 745 CO 0.00 -0.54 -0.02 0.68 1.18 0.00 0.00 175.17 176.47 2ayy s VAL 746 N -2.28 3.91 -0.49 -1.27 -7.23 -1.26 -1.88 120.40 109.90 2ayy s VAL 746 Ca 0.48 -0.98 -0.15 0.00 -1.81 0.00 0.00 61.98 59.53 2ayy s VAL 746 Cb -0.08 -2.84 0.10 0.00 0.56 0.00 0.00 36.38 34.11 2ayy s VAL 746 CO 0.31 0.16 0.41 -0.22 -0.31 0.00 0.00 175.10 175.45 2ayy s LEU 747 N -2.16 5.77 -0.52 1.32 0.20 -0.20 -0.79 118.68 122.29 2ayy s LEU 747 Ca 0.24 -1.54 -0.26 0.00 0.69 0.00 0.00 54.13 53.26 2ayy s LEU 747 Cb -0.12 -2.16 0.03 0.00 -0.43 0.00 0.00 46.19 43.52 2ayy s LEU 747 CO 0.16 -0.71 1.00 -0.63 -0.29 0.00 0.00 176.35 175.88 2ayy s ILE 748 N 1.58 4.33 0.23 6.68 1.01 0.03 -0.77 121.20 134.29 2ayy s ILE 748 Ca 0.04 0.63 0.10 0.00 0.00 0.00 0.00 60.65 61.42 2ayy s ILE 748 Cb -0.26 -4.55 -0.04 0.00 0.01 0.00 0.00 42.46 37.62 2ayy s ILE 748 CO 0.04 -1.06 -0.12 -0.89 0.00 0.00 0.00 174.94 172.91 2ayy s THR 749 N 4.12 2.93 -0.02 2.92 2.01 0.13 -0.32 115.64 127.41 2ayy s THR 749 Ca 0.36 -1.97 0.06 0.00 0.31 0.00 0.00 61.69 60.46 2ayy s THR 749 Cb -0.10 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.89 2ayy s THR 749 CO 0.24 -0.25 -0.22 -0.62 -0.69 0.00 0.00 174.62 173.08 2ayy s ASP 750 N -3.18 2.54 1.92 3.53 2.15 -0.98 -0.73 116.67 121.92 2ayy s ASP 750 Ca 0.27 -0.39 0.00 0.00 0.43 0.00 0.00 52.55 52.86 2ayy s ASP 750 Cb -0.07 -0.33 0.00 0.00 -0.30 0.00 0.00 42.92 42.22 2ayy s ASP 750 CO 0.15 0.26 0.00 -0.62 -0.17 0.00 0.00 175.17 174.79 2ayy n GLU 751 N 2.60 0.00 -4.05 4.34 -0.58 -0.00 -4.67 120.64 118.27 2ayy n GLU 751 Ca -0.16 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.46 2ayy n GLU 751 Cb 0.53 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 31.28 2ayy n GLU 751 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2ayy s VAL 752 N 0.00 0.41 0.09 2.62 0.11 -1.26 -4.48 120.40 117.88 2ayy s VAL 752 Ca 0.00 -0.85 -0.08 0.00 -2.93 0.00 0.00 61.98 58.12 2ayy s VAL 752 Cb 0.00 -0.47 -0.00 0.00 -1.53 0.00 0.00 36.38 34.38 2ayy s VAL 752 CO 0.00 -0.30 0.18 0.68 -3.33 0.00 0.00 175.10 172.32 2ayy s VAL 753 N -1.12 0.15 -0.81 2.04 -7.23 -1.26 -5.07 120.40 107.10 2ayy s VAL 753 Ca -0.09 -1.21 -0.02 0.00 -1.81 0.00 0.00 61.98 58.85 2ayy s VAL 753 Cb -0.08 -1.35 0.35 0.00 0.56 0.00 0.00 36.38 35.86 2ayy s VAL 753 CO 0.00 -0.67 2.07 -1.20 -0.31 0.00 0.00 175.10 174.99 2ayy n SER 754 N -0.05 7.50 -3.49 4.85 7.64 -1.26 -4.86 113.62 123.96 2ayy n SER 754 Ca -0.15 -3.80 -0.15 0.00 1.01 0.00 0.00 58.87 55.78 2ayy n SER 754 Cb 0.62 -1.07 -0.04 0.00 -1.01 0.00 0.00 64.21 62.71 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 -3.92 1.14 0.35 1.43 -2.85 -1.26 -5.18 119.74 109.44 2ayy s LYS 755 Ca 0.54 -0.06 0.09 0.00 -1.00 0.00 0.00 55.97 55.53 2ayy s LYS 755 Cb 0.44 0.53 -0.05 0.00 -2.06 0.00 0.00 37.83 36.69 2ayy s LYS 755 CO -0.36 -0.42 0.06 0.21 0.10 0.00 0.00 175.35 174.94 2ayy s LYS 756 N -2.26 2.15 -0.28 1.78 2.36 -1.26 -5.07 119.74 117.16 2ayy s LYS 756 Ca -0.06 -1.73 -0.11 0.00 -2.55 0.00 0.00 55.97 51.52 2ayy s LYS 756 Cb -0.00 -1.97 -0.05 0.00 -1.05 0.00 0.00 37.83 34.75 2ayy s LYS 756 CO 0.00 0.10 0.18 -0.46 1.55 0.00 0.00 175.35 176.72 2ayy s TRP 757 N -2.52 3.21 -0.82 4.03 -0.11 -1.26 -4.97 118.94 116.51 2ayy s TRP 757 Ca 0.36 0.08 -0.00 0.00 1.22 0.00 0.00 56.10 57.76 2ayy s TRP 757 Cb 0.00 -2.36 0.35 0.00 -1.50 0.00 0.00 33.47 29.96 2ayy s TRP 757 CO 0.20 -0.17 1.78 1.04 -4.62 0.00 0.00 176.95 175.19 2ayy n GLN 758 N 5.01 3.53 0.00 5.86 1.13 -1.26 -4.94 117.38 126.71 2ayy n GLN 758 Ca -0.14 -4.02 0.00 0.00 -1.94 0.00 0.00 57.00 50.89 2ayy n GLN 758 Cb 0.52 -2.31 0.00 0.00 0.11 0.00 0.00 30.24 28.56 2ayy n GLN 758 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2ayy n GLY 759 N -0.40 5.43 0.39 1.08 0.00 -1.26 -4.08 105.19 106.35 2ayy n GLY 759 Ca 0.49 -1.27 -0.16 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.91 -2.82 1.61 9.65 -1.45 -3.44 114.38 117.01 2ayy h ARG 760 Ca 0.00 0.06 0.04 0.00 -1.10 0.00 0.00 59.98 58.98 2ayy h ARG 760 Cb 0.00 0.21 -0.11 0.00 -1.39 0.00 0.00 29.97 28.68 2ayy h ARG 760 CO 0.00 -0.59 0.29 0.00 2.80 0.00 0.00 179.97 182.47 2ayy s ALA 761 N -5.14 -1.56 0.02 2.80 0.00 -1.24 -4.93 121.76 111.71 2ayy s ALA 761 Ca -0.15 0.37 0.09 0.00 0.00 0.00 0.00 51.96 52.27 2ayy s ALA 761 Cb 0.02 0.78 -0.03 0.00 0.00 0.00 0.00 23.12 23.89 2ayy s ALA 761 CO 0.47 -0.84 -0.26 0.08 0.00 0.00 0.00 175.76 175.21 2ayy s VAL 762 N -3.64 2.06 -0.38 0.00 1.01 -0.21 -1.04 120.40 118.21 2ayy s VAL 762 Ca 0.05 -1.28 0.01 0.00 0.00 0.00 0.00 61.98 60.76 2ayy s VAL 762 Cb -0.02 -1.75 0.12 0.00 0.00 0.00 0.00 36.38 34.73 2ayy s VAL 762 CO -0.07 0.42 0.16 -0.69 0.00 0.00 0.00 175.10 174.92 2ayy s VAL 763 N -0.74 1.41 -0.28 2.92 1.01 0.05 -0.56 120.40 124.22 2ayy s VAL 763 Ca 0.11 -2.13 -0.12 0.00 0.00 0.00 0.00 61.98 59.84 2ayy s VAL 763 Cb -0.10 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 2ayy s VAL 763 CO 0.01 -0.76 0.22 -0.89 0.00 0.00 0.00 175.10 173.68 2ayy s THR 764 N 0.88 5.29 -0.79 3.92 2.01 -0.37 -0.69 115.64 125.89 2ayy s THR 764 Ca 0.14 0.20 -0.09 0.00 0.31 0.00 0.00 61.69 62.24 2ayy s THR 764 Cb -0.21 -3.57 0.21 0.00 0.01 0.00 0.00 72.50 68.94 2ayy s THR 764 CO -0.11 0.22 0.69 -0.36 -0.69 0.00 0.00 174.62 174.37 2ayy s PHE 765 N 1.80 3.69 0.25 4.92 0.08 0.09 -1.63 117.98 127.17 2ayy s PHE 765 Ca 0.08 -2.33 0.08 0.00 0.12 0.00 0.00 56.93 54.88 2ayy s PHE 765 Cb -0.16 -3.59 -0.04 0.00 -0.57 0.00 0.00 43.02 38.66 2ayy s PHE 765 CO 0.11 -0.92 0.10 0.00 -0.10 0.00 0.00 175.22 174.40 2ayy h ARG 767 N 1.80 0.00 -0.33 0.00 9.65 -1.88 -2.27 114.38 121.36 2ayy h ARG 767 Ca -0.47 0.00 0.15 0.00 -1.10 0.00 0.00 59.98 58.56 2ayy h ARG 767 Cb 1.24 0.00 -0.18 0.00 -1.39 0.00 0.00 29.97 29.63 2ayy h ARG 767 CO 0.60 0.15 -0.10 1.03 2.80 0.00 0.00 179.97 184.45 2ayy s ARG 768 N -1.73 0.22 -0.00 0.20 0.52 -1.26 -4.84 118.95 112.06 2ayy s ARG 768 Ca -0.05 0.05 -0.11 0.00 -0.52 0.00 0.00 55.73 55.10 2ayy s ARG 768 Cb -0.00 0.06 0.01 0.00 0.52 0.00 0.00 34.95 35.54 2ayy s ARG 768 CO 0.13 -0.36 0.23 -1.01 0.02 0.00 0.00 175.30 174.30 2ayy s HIS 769 N 2.46 -0.07 -0.15 -0.53 3.76 -1.26 -5.15 115.29 114.35 2ayy s HIS 769 Ca 0.21 0.05 -0.00 0.00 -0.15 0.00 0.00 55.06 55.16 2ayy s HIS 769 Cb -0.00 0.03 -0.01 0.00 1.11 0.00 0.00 32.58 33.71 2ayy s HIS 769 CO -0.19 -0.36 -0.14 0.42 -0.85 0.00 0.00 174.74 173.63 2ayy s ILE 770 N -1.51 2.86 0.00 0.60 1.09 -1.26 -4.64 121.20 118.34 2ayy s ILE 770 Ca -0.13 -0.71 0.00 0.00 -1.10 0.00 0.00 60.65 58.71 2ayy s ILE 770 Cb -0.06 -2.21 0.00 0.00 -1.06 0.00 0.00 42.46 39.13 2ayy s ILE 770 CO 0.02 0.51 0.00 0.61 -0.10 0.00 0.00 174.94 175.99 2ayy n GLY 771 N 3.87 4.14 3.78 6.18 0.00 -1.26 -5.11 105.19 116.79 2ayy n GLY 771 Ca -0.19 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 44.82 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 4.29 -0.75 -0.61 -1.09 -1.26 -4.97 121.20 116.81 2ayy s ILE 772 Ca 0.00 1.74 -0.26 0.00 -2.23 0.00 0.00 60.65 59.90 2ayy s ILE 772 Cb 0.00 -4.07 -0.05 0.00 -1.58 0.00 0.00 42.46 36.76 2ayy s ILE 772 CO 0.00 0.31 2.01 -2.16 -1.23 0.00 0.00 174.94 173.87 2ayy s PRO 773 N -1.66 2.43 -1.34 2.79 0.04 -1.26 -4.86 135.00 131.14 2ayy s PRO 773 Ca 0.44 0.26 -0.13 0.00 0.04 0.00 0.00 61.00 61.61 2ayy s PRO 773 Cb -0.21 -4.76 -0.05 0.00 0.04 0.00 0.00 34.50 29.53 2ayy s PRO 773 CO 0.25 -3.27 2.42 1.47 0.04 0.00 0.00 177.00 177.92 2ayy n LEU 774 N 14.24 6.86 0.00 -3.56 -0.00 -1.26 -4.62 117.00 128.66 2ayy n LEU 774 Ca 0.34 -3.86 0.00 0.00 -0.00 0.00 0.00 56.01 52.48 2ayy n LEU 774 Cb 0.49 -1.47 0.00 0.00 -0.00 0.00 0.00 43.42 42.44 2ayy n LEU 774 CO 0.64 1.17 0.00 1.21 -0.00 0.00 0.00 177.39 180.41 2ayy n GLU 775 N 5.08 0.00 -2.31 1.47 2.13 -1.25 -4.77 120.64 121.00 2ayy n GLU 775 Ca 0.60 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 58.29 2ayy n GLU 775 Cb 0.30 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.00 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 13.79 -2.08 -3.54 5.31 4.76 -1.26 -4.86 118.16 130.28 2ayy n LYS 776 Ca 0.00 0.64 0.01 0.00 -2.87 0.00 0.00 58.31 56.09 2ayy n LYS 776 Cb 0.00 -5.20 -0.06 0.00 -1.84 0.00 0.00 35.03 27.93 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 -2.58 -2.64 -0.69 7.82 0.00 -1.26 -5.10 121.76 117.32 2ayy s ALA 777 Ca 0.00 2.04 -0.26 0.00 0.00 0.00 0.00 51.96 53.74 2ayy s ALA 777 Cb 0.00 -1.95 -0.10 0.00 0.00 0.00 0.00 23.12 21.07 2ayy s ALA 777 CO 0.00 -0.52 2.32 -2.14 0.00 0.00 0.00 175.76 175.41 2ayy s PRO 778 N 1.51 1.95 0.00 0.00 0.02 -1.26 -2.34 135.00 134.88 2ayy s PRO 778 Ca -0.06 0.72 0.00 0.00 0.02 0.00 0.00 61.00 61.68 2ayy s PRO 778 Cb -0.03 -4.72 0.00 0.00 0.02 0.00 0.00 34.50 29.77 2ayy s PRO 778 CO -0.14 -3.81 0.00 0.41 -0.33 0.00 0.00 177.00 173.13 2ayy n GLY 779 N 6.46 0.40 3.24 0.52 0.00 -1.26 -5.13 105.19 109.42 2ayy n GLY 779 Ca 0.41 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.12 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 2.32 0.10 1.61 -1.05 -0.99 -1.05 118.70 119.65 2ayy s GLU 780 Ca 0.00 -0.84 0.08 0.00 -0.15 0.00 0.00 54.97 54.06 2ayy s GLU 780 Cb 0.00 -2.00 -0.04 0.00 -0.44 0.00 0.00 34.13 31.65 2ayy s GLU 780 CO 0.00 0.37 -0.14 -1.58 0.95 0.00 0.00 175.26 174.86 2ayy s TRP 781 N -0.17 2.64 -0.01 4.83 0.52 0.28 -3.81 118.94 123.21 2ayy s TRP 781 Ca -0.02 -0.21 0.03 0.00 0.02 0.00 0.00 56.10 55.91 2ayy s TRP 781 Cb -0.13 -1.40 -0.00 0.00 -1.15 0.00 0.00 33.47 30.79 2ayy s TRP 781 CO 0.03 0.39 -0.09 0.54 0.02 0.00 0.00 176.95 177.84 2ayy s VAL 782 N -1.15 0.73 -0.03 4.03 0.11 -1.26 -1.24 120.40 121.58 2ayy s VAL 782 Ca 0.19 -0.37 -0.30 0.00 -2.93 0.00 0.00 61.98 58.57 2ayy s VAL 782 Cb -0.11 -0.63 0.07 0.00 -1.53 0.00 0.00 36.38 34.19 2ayy s VAL 782 CO 0.11 0.22 0.69 -2.28 -3.33 0.00 0.00 175.10 170.51 2ayy s HIS 783 N -0.04 -0.63 0.34 1.54 5.04 -0.65 -4.98 115.29 115.92 2ayy s HIS 783 Ca 0.01 1.01 -0.28 0.00 -1.54 0.00 0.00 55.06 54.26 2ayy s HIS 783 Cb -0.05 0.43 -0.10 0.00 0.04 0.00 0.00 32.58 32.90 2ayy s HIS 783 CO -0.00 -0.62 1.27 -1.12 -2.34 0.00 0.00 174.74 171.93 2ayy s SER 784 N -1.37 6.73 -1.21 9.88 0.01 -1.24 -1.17 113.70 125.33 2ayy s SER 784 Ca -0.09 2.61 -0.18 0.00 1.31 0.00 0.00 55.95 59.60 2ayy s SER 784 Cb -0.00 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.56 2ayy s SER 784 CO 0.07 -0.56 2.04 0.55 0.41 0.00 0.00 173.24 175.75 2ayy n VAL 785 N 0.66 2.93 -3.70 3.43 3.14 -0.85 -4.73 118.33 119.21 2ayy n VAL 785 Ca 0.01 -2.69 -0.10 0.00 -2.96 0.00 0.00 64.34 58.60 2ayy n VAL 785 Cb 0.43 -2.45 -0.04 0.00 -1.06 0.00 0.00 33.84 30.71 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 4.53 -0.86 -0.33 1.55 0.00 -1.26 -4.93 121.76 120.47 2ayy s ALA 786 Ca 0.53 -0.18 -0.05 0.00 0.00 0.00 0.00 51.96 52.26 2ayy s ALA 786 Cb 0.11 0.76 0.01 0.00 0.00 0.00 0.00 23.12 24.00 2ayy s ALA 786 CO 0.02 -0.70 0.19 0.00 0.00 0.00 0.00 175.76 175.27 2ayy n ALA 787 N -0.26 -3.32 -0.57 0.00 0.00 -1.26 -4.77 120.51 110.32 2ayy n ALA 787 Ca -0.13 0.70 -0.12 0.00 0.00 0.00 0.00 53.44 53.89 2ayy n ALA 787 Cb 0.63 -1.87 -0.06 0.00 0.00 0.00 0.00 19.45 18.16 2ayy n ALA 787 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2ayy n PRO 788 N 0.34 1.38 0.00 0.00 -0.02 -1.26 -2.85 135.00 132.60 2ayy n PRO 788 Ca 0.04 -0.86 0.00 0.00 -2.02 0.00 0.00 63.50 60.66 2ayy n PRO 788 Cb 0.15 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 2ayy n PRO 788 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 2ayy n HIS 789 N 3.38 0.00 0.14 6.00 -0.00 -1.26 -4.85 115.22 118.62 2ayy n HIS 789 Ca 0.29 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 58.06 2ayy n HIS 789 Cb 0.32 0.24 0.04 0.00 -0.00 0.00 0.00 29.99 30.59 2ayy n HIS 789 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 2ayy h GLU 790 N 0.00 0.00 0.94 1.57 5.08 -1.84 -3.24 114.58 117.09 2ayy h GLU 790 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2ayy h GLU 790 Cb 0.04 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.30 2ayy h GLU 790 CO 0.00 0.32 -0.46 -0.07 -1.00 0.00 0.00 179.01 177.80 2ayy h LEU 791 N 0.00 -1.10 -0.73 1.33 4.07 -1.86 0.32 115.31 117.34 2ayy h LEU 791 Ca -0.03 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2ayy h LEU 791 Cb 1.30 0.29 0.00 0.00 1.08 0.00 0.00 40.66 43.33 2ayy h LEU 791 CO 0.04 -0.77 0.00 1.55 -1.08 0.00 0.00 178.44 178.18 2ayy h PRO 792 N -1.27 0.00 -0.11 1.13 0.13 -1.91 -2.67 132.00 127.29 2ayy h PRO 792 Ca -0.13 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.84 2ayy h PRO 792 Cb 0.98 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 2ayy h PRO 792 CO 0.20 0.00 -0.61 0.00 -0.23 0.00 0.00 178.00 177.36 2ayy h ALA 793 N 2.15 0.74 -0.44 -0.56 0.00 -1.52 -1.27 119.26 118.36 2ayy h ALA 793 Ca 0.00 -0.55 -0.11 0.00 0.00 0.00 0.00 54.91 54.25 2ayy h ALA 793 Cb 0.61 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2ayy h ALA 793 CO 0.00 0.72 -0.15 -0.07 0.00 0.00 0.00 179.25 179.75 2ayy h LEU 794 N 0.29 0.90 -0.77 0.00 3.38 -0.60 -2.28 115.31 116.22 2ayy h LEU 794 Ca -0.01 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.60 2ayy h LEU 794 Cb 1.15 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 2ayy h LEU 794 CO 0.10 1.08 0.50 -0.07 0.09 0.00 0.00 178.44 180.14 2ayy h LEU 795 N 0.72 0.85 -1.41 1.67 -0.00 -1.34 -0.66 115.31 115.15 2ayy h LEU 795 Ca 0.11 -0.01 -0.04 0.00 -0.00 0.00 0.00 57.88 57.93 2ayy h LEU 795 Cb 0.71 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.15 2ayy h LEU 795 CO 0.05 0.60 -0.02 0.00 -0.00 0.00 0.00 178.44 179.07 2ayy h ALA 796 N 1.30 1.52 -0.27 1.53 0.00 -1.09 -1.34 119.26 120.91 2ayy h ALA 796 Ca 0.29 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 2ayy h ALA 796 Cb -0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2ayy h ALA 796 CO -0.08 0.35 -0.52 -0.09 0.00 0.00 0.00 179.25 178.90 2ayy h ARG 797 N 0.35 0.78 -0.62 0.00 2.43 -0.74 0.73 114.38 117.32 2ayy h ARG 797 Ca 0.08 -0.48 -0.08 0.00 -0.81 0.00 0.00 59.98 58.69 2ayy h ARG 797 Cb 0.27 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 2ayy h ARG 797 CO 0.01 1.11 0.07 0.82 -1.51 0.00 0.00 179.97 180.46 2ayy h ILE 798 N 0.61 1.26 -0.32 1.20 2.04 -0.51 -2.34 117.51 119.45 2ayy h ILE 798 Ca 0.02 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.83 2ayy h ILE 798 Cb 1.10 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 2ayy h ILE 798 CO 0.11 0.39 0.00 -1.22 0.00 0.00 0.00 178.15 177.43 2ayy n TYR 799 N -4.21 0.42 -3.35 1.37 4.01 -0.57 -4.95 117.16 109.89 2ayy n TYR 799 Ca 0.04 -0.21 -0.18 0.00 -0.16 0.00 0.00 57.90 57.38 2ayy n TYR 799 Cb 0.30 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.40 2ayy n TYR 799 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2ayy n LEU 800 N 0.53 -4.96 0.00 7.72 7.99 -0.85 -5.04 117.00 122.38 2ayy n LEU 800 Ca 0.13 -0.77 0.00 0.00 -0.01 0.00 0.00 56.01 55.37 2ayy n LEU 800 Cb 0.32 -3.04 0.00 0.00 -0.11 0.00 0.00 43.42 40.59 2ayy n LEU 800 CO 0.10 0.19 0.00 -0.38 -1.51 0.00 0.00 177.39 175.79 2ayy n ILE 801 N -3.49 0.00 0.18 -0.08 5.41 0.19 -5.03 119.36 116.54 2ayy n ILE 801 Ca -0.09 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.72 2ayy n ILE 801 Cb 0.62 -0.54 0.15 0.00 -0.71 0.00 0.00 39.64 39.15 2ayy n ILE 801 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2ayy h GLU 802 N 0.00 0.00 -6.32 0.38 3.07 -1.96 -3.46 114.58 106.29 2ayy h GLU 802 Ca 0.00 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.32 2ayy h GLU 802 Cb 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.87 2ayy h GLU 802 CO 0.00 0.33 0.20 -1.64 -1.40 0.00 0.00 179.01 176.50 2ayy s MET 803 N -3.16 4.53 -0.30 2.33 -1.94 -1.26 -5.03 119.30 114.47 2ayy s MET 803 Ca 0.04 1.14 -0.03 0.00 -1.71 0.00 0.00 55.69 55.13 2ayy s MET 803 Cb 0.07 -3.38 0.04 0.00 2.01 0.00 0.00 34.83 33.57 2ayy s MET 803 CO 0.70 0.22 0.02 -1.21 -0.01 0.00 0.00 175.02 174.74 2ayy s GLU 804 N 0.14 2.56 0.52 2.03 2.02 -1.26 -3.97 118.70 120.74 2ayy s GLU 804 Ca 0.41 -1.19 -0.18 0.00 0.02 0.00 0.00 54.97 54.03 2ayy s GLU 804 Cb -0.21 -3.23 -0.07 0.00 0.10 0.00 0.00 34.13 30.73 2ayy s GLU 804 CO 0.24 -0.59 1.04 -1.12 0.02 0.00 0.00 175.26 174.85 2ayy s SER 805 N 1.31 6.18 0.14 -0.19 0.01 -1.26 -5.06 113.70 114.83 2ayy s SER 805 Ca -0.03 1.86 0.07 0.00 1.31 0.00 0.00 55.95 59.16 2ayy s SER 805 Cb -0.19 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.45 2ayy s SER 805 CO -0.00 -0.89 -0.17 1.51 0.41 0.00 0.00 173.24 174.09 2ayy s ASP 806 N -2.33 2.40 -0.39 2.44 -4.77 -1.26 -5.07 116.67 107.69 2ayy s ASP 806 Ca 0.65 -0.80 0.03 0.00 -3.30 0.00 0.00 52.55 49.13 2ayy s ASP 806 Cb -0.16 -0.12 0.16 0.00 -1.09 0.00 0.00 42.92 41.71 2ayy s ASP 806 CO 0.26 -0.05 0.32 -0.62 0.70 0.00 0.00 175.17 175.78 2ayy s ASP 807 N -2.42 1.76 -0.07 2.11 2.15 -1.26 -5.01 116.67 113.93 2ayy s ASP 807 Ca 0.11 -2.60 -0.04 0.00 0.43 0.00 0.00 52.55 50.45 2ayy s ASP 807 Cb -0.06 -0.23 -0.14 0.00 -0.30 0.00 0.00 42.92 42.18 2ayy s ASP 807 CO 0.05 -0.22 3.06 -0.81 -0.17 0.00 0.00 175.17 177.08 2ayy n PRO 808 N 3.35 1.81 -2.37 4.34 -0.05 -1.26 -4.82 135.00 136.00 2ayy n PRO 808 Ca 0.22 -0.96 -0.43 0.00 -0.05 0.00 0.00 63.50 62.28 2ayy n PRO 808 Cb 0.44 -1.76 0.00 0.00 -0.05 0.00 0.00 33.50 32.13 2ayy n PRO 808 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2ayy n ALA 809 N 1.95 4.41 -2.04 0.55 0.00 -1.26 -4.85 120.51 119.27 2ayy n ALA 809 Ca 0.33 -3.99 -0.42 0.00 0.00 0.00 0.00 53.44 49.36 2ayy n ALA 809 Cb 0.76 -3.41 0.00 0.00 0.00 0.00 0.00 19.45 16.80 2ayy n ALA 809 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2ayy n ASN 810 N 6.67 4.37 -4.63 0.00 5.15 -1.26 -4.95 115.26 120.61 2ayy n ASN 810 Ca 0.47 -2.92 -0.43 0.00 -0.60 0.00 0.00 54.58 51.09 2ayy n ASN 810 Cb 0.42 -1.62 -0.02 0.00 -0.53 0.00 0.00 39.78 38.03 2ayy n ASN 810 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ayy s ALA 811 N 2.59 3.37 -0.10 5.20 0.00 -1.26 -4.99 121.76 126.57 2ayy s ALA 811 Ca 0.46 -0.01 -0.02 0.00 0.00 0.00 0.00 51.96 52.39 2ayy s ALA 811 Cb 0.11 -3.76 0.04 0.00 0.00 0.00 0.00 23.12 19.50 2ayy s ALA 811 CO -0.04 -1.76 0.02 -0.51 0.00 0.00 0.00 175.76 173.47 2ayy s LEU 812 N 4.21 0.63 0.01 0.00 1.43 -1.26 -5.05 118.68 118.65 2ayy s LEU 812 Ca 0.52 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 53.27 2ayy s LEU 812 Cb -0.14 -0.42 -0.06 0.00 0.03 0.00 0.00 46.19 45.59 2ayy s LEU 812 CO 0.22 -0.23 0.94 -0.65 0.23 0.00 0.00 176.35 176.86 2ayy h PRO 813 N 8.33 -0.38 -2.03 1.29 0.11 -2.06 -3.46 132.00 133.81 2ayy h PRO 813 Ca -0.18 0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.96 2ayy h PRO 813 Cb 1.13 0.09 -0.24 0.00 0.11 0.00 0.00 31.00 32.09 2ayy h PRO 813 CO 0.27 -0.25 -0.26 -1.54 -0.21 0.00 0.00 178.00 176.00 2ayy s SER 814 N -3.01 -0.75 -1.47 -2.05 1.04 -1.26 -5.07 113.70 101.14 2ayy s SER 814 Ca -0.06 1.16 -0.13 0.00 0.48 0.00 0.00 55.95 57.39 2ayy s SER 814 Cb 0.01 1.85 0.03 0.00 0.10 0.00 0.00 66.02 68.01 2ayy s SER 814 CO 0.17 -0.24 2.29 0.41 0.98 0.00 0.00 173.24 176.86 2ayy n THR 815 N 5.42 3.59 0.12 2.02 -1.04 -1.26 -5.31 114.28 117.82 2ayy n THR 815 Ca -0.08 -3.04 0.01 0.00 -2.04 0.00 0.00 64.05 58.90 2ayy n THR 815 Cb 0.50 -2.60 0.01 0.00 -1.82 0.00 0.00 70.33 66.42 2ayy n THR 815 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76