#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 2.49 3.64 -5.12 0.00 -1.26 -5.12 105.19 99.83 2ayy n GLY 697 Ca 0.00 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 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 1.93 0.34 -0.02 0.00 -1.26 -5.05 107.32 103.25 2ayy s GLY 698 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.42 2ayy s GLY 698 CO 0.00 1.43 0.01 1.44 0.00 0.00 0.00 173.10 175.99 2ayy n SER 699 N 5.42 2.69 0.00 1.64 7.64 -1.26 -5.14 113.62 124.62 2ayy n SER 699 Ca -0.00 -2.51 0.00 0.00 1.01 0.00 0.00 58.87 57.37 2ayy n SER 699 Cb 0.49 0.31 0.00 0.00 -1.01 0.00 0.00 64.21 64.00 2ayy n SER 699 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ayy n GLY 700 N 0.78 4.23 3.93 0.23 0.00 -1.26 -5.14 105.19 107.96 2ayy n GLY 700 Ca -0.13 -1.11 -0.26 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.56 5.12 0.34 1.61 0.11 -1.26 -5.11 120.40 120.65 2ayy s VAL 701 Ca 0.00 -0.31 0.08 0.00 -2.93 0.00 0.00 61.98 58.81 2ayy s VAL 701 Cb 0.00 -3.79 -0.03 0.00 -1.53 0.00 0.00 36.38 31.03 2ayy s VAL 701 CO 0.00 -0.38 0.25 -1.83 -3.33 0.00 0.00 175.10 169.81 2ayy s GLU 702 N -3.82 2.61 -0.13 1.54 1.03 -1.26 -5.12 118.70 113.55 2ayy s GLU 702 Ca 0.40 -1.38 -0.05 0.00 0.03 0.00 0.00 54.97 53.98 2ayy s GLU 702 Cb -0.10 -2.38 -0.04 0.00 -0.80 0.00 0.00 34.13 30.81 2ayy s GLU 702 CO 0.32 0.10 0.05 0.20 -1.33 0.00 0.00 175.26 174.59 2ayy s GLY 703 N -3.95 1.92 -0.41 -3.83 0.00 -1.26 -5.06 107.32 94.73 2ayy s GLY 703 Ca 0.40 -0.75 0.02 0.00 0.00 0.00 0.00 44.72 44.38 2ayy s GLY 703 CO 0.25 -0.28 0.24 1.08 0.00 0.00 0.00 173.10 174.39 2ayy s LEU 704 N -0.40 2.10 0.00 0.66 1.43 -1.26 -5.12 118.68 116.09 2ayy s LEU 704 Ca 0.09 -2.53 0.00 0.00 -1.03 0.00 0.00 54.13 50.66 2ayy s LEU 704 Cb -0.12 -0.80 0.00 0.00 0.03 0.00 0.00 46.19 45.30 2ayy s LEU 704 CO 0.02 -0.27 0.00 -1.20 0.23 0.00 0.00 176.35 175.13 2ayy n SER 705 N 3.63 0.00 -0.90 2.29 7.64 -1.26 -5.13 113.62 119.89 2ayy n SER 705 Ca 0.11 -0.84 0.00 0.00 1.01 0.00 0.00 58.87 59.15 2ayy n SER 705 Cb 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 2ayy n SER 705 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ayy n GLY 706 N 5.00 0.91 3.87 0.23 0.00 -1.26 -5.16 105.19 108.78 2ayy n GLY 706 Ca 0.00 -0.84 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.69 3.80 -0.04 1.61 1.02 -1.26 -5.00 119.74 118.17 2ayy s LYS 707 Ca 0.00 0.23 0.05 0.00 0.02 0.00 0.00 55.97 56.27 2ayy s LYS 707 Cb 0.00 -2.84 -0.00 0.00 -0.52 0.00 0.00 37.83 34.47 2ayy s LYS 707 CO 0.00 0.44 -0.18 1.03 -0.92 0.00 0.00 175.35 175.72 2ayy s ARG 708 N -2.37 1.80 -0.11 1.68 1.81 -1.26 -1.55 118.95 118.95 2ayy s ARG 708 Ca 0.40 -0.63 -0.01 0.00 -1.72 0.00 0.00 55.73 53.77 2ayy s ARG 708 Cb -0.13 -1.58 0.03 0.00 -0.45 0.00 0.00 34.95 32.83 2ayy s ARG 708 CO 0.20 0.27 -0.02 0.00 -0.68 0.00 0.00 175.30 175.07 2ayy s TRP 710 N 1.84 3.73 -0.05 0.00 0.52 0.09 -0.81 118.94 124.25 2ayy s TRP 710 Ca 0.04 1.05 0.02 0.00 0.02 0.00 0.00 56.10 57.23 2ayy s TRP 710 Cb -0.13 -2.36 0.01 0.00 -1.15 0.00 0.00 33.47 29.84 2ayy s TRP 710 CO -0.07 0.59 -0.11 -0.48 0.02 0.00 0.00 176.95 176.91 2ayy s LEU 711 N -0.95 1.63 -0.51 2.99 2.34 0.12 -0.62 118.68 123.68 2ayy s LEU 711 Ca 0.25 -0.26 0.07 0.00 0.06 0.00 0.00 54.13 54.26 2ayy s LEU 711 Cb -0.17 -0.73 0.33 0.00 -0.56 0.00 0.00 46.19 45.06 2ayy s LEU 711 CO 0.14 0.03 0.85 0.00 -1.06 0.00 0.00 176.35 176.31 2ayy n ALA 712 N 3.74 3.73 -2.63 1.48 0.00 0.17 -1.79 120.51 125.21 2ayy n ALA 712 Ca -0.23 -4.27 -0.39 0.00 0.00 0.00 0.00 53.44 48.56 2ayy n ALA 712 Cb 0.52 -0.81 -0.08 0.00 0.00 0.00 0.00 19.45 19.09 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 -3.56 5.11 0.25 0.00 1.01 -1.26 -2.37 120.40 119.58 2ayy s VAL 713 Ca 0.45 0.84 0.08 0.00 0.00 0.00 0.00 61.98 63.35 2ayy s VAL 713 Cb 0.29 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 2ayy s VAL 713 CO -0.11 0.14 1.56 0.03 0.00 0.00 0.00 175.10 176.72 2ayy h ARG 714 N 7.83 0.08 -5.97 2.72 2.47 -1.96 -3.39 114.38 116.15 2ayy h ARG 714 Ca -0.31 -0.06 -0.45 0.00 -1.26 0.00 0.00 59.98 57.89 2ayy h ARG 714 Cb 1.15 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 29.43 2ayy h ARG 714 CO 0.71 0.71 1.13 -0.80 0.56 0.00 0.00 179.97 182.28 2ayy s ASN 715 N -6.86 5.53 0.10 7.04 0.01 -1.26 -4.88 114.94 114.62 2ayy s ASN 715 Ca -0.02 -0.34 -0.30 0.00 -0.71 0.00 0.00 52.86 51.48 2ayy s ASN 715 Cb 0.12 -2.55 -0.12 0.00 0.41 0.00 0.00 41.25 39.11 2ayy s ASN 715 CO 0.78 -2.29 1.62 0.00 -1.51 0.00 0.00 177.10 175.69 2ayy h ALA 716 N 12.33 -0.69 -0.98 0.60 0.00 -2.00 0.85 119.26 129.37 2ayy h ALA 716 Ca -0.09 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.73 2ayy h ALA 716 Cb 1.07 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 19.30 2ayy h ALA 716 CO 1.25 -0.93 0.65 0.77 0.00 0.00 0.00 179.25 181.00 2ayy h SER 717 N -0.67 1.13 -0.78 0.00 0.02 -1.96 -1.50 113.55 109.78 2ayy h SER 717 Ca -0.01 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2ayy h SER 717 Cb 0.62 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.85 2ayy h SER 717 CO -0.08 0.81 0.36 0.25 -1.14 0.00 0.00 176.83 177.03 2ayy h LEU 718 N 1.33 1.03 -0.41 5.07 7.12 -1.88 -2.39 115.31 125.18 2ayy h LEU 718 Ca 0.36 -0.14 -0.01 0.00 0.13 0.00 0.00 57.88 58.22 2ayy h LEU 718 Cb -0.14 -0.27 -0.02 0.00 -0.53 0.00 0.00 40.66 39.70 2ayy h LEU 718 CO -0.08 0.89 0.22 0.00 -0.13 0.00 0.00 178.44 179.34 2ayy h GLN 720 N 0.53 1.11 0.47 0.00 4.20 -1.17 -0.87 115.11 119.37 2ayy h GLN 720 Ca 0.14 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 2ayy h GLN 720 Cb 0.06 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.61 2ayy h GLN 720 CO -0.02 0.77 -0.22 0.74 -0.67 0.00 0.00 178.83 179.43 2ayy h PHE 721 N 1.13 -0.58 -0.38 2.96 0.04 -0.95 -2.13 116.94 117.02 2ayy h PHE 721 Ca 0.29 -0.01 -0.13 0.00 2.80 0.00 0.00 57.97 60.92 2ayy h PHE 721 Cb -0.05 0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 2ayy h PHE 721 CO 0.00 -0.31 -0.28 1.37 -0.60 0.00 0.00 178.31 178.49 2ayy h LEU 722 N -0.72 0.82 -0.91 1.54 8.10 -1.26 -2.28 115.31 120.59 2ayy h LEU 722 Ca -0.06 -0.32 -0.09 0.00 0.11 0.00 0.00 57.88 57.52 2ayy h LEU 722 Cb 0.53 -0.23 -0.02 0.00 -0.44 0.00 0.00 40.66 40.51 2ayy h LEU 722 CO 0.11 1.04 -0.14 1.05 -4.11 0.00 0.00 178.44 176.39 2ayy h GLU 723 N 0.68 0.64 0.01 0.17 4.11 -1.16 -1.24 114.58 117.80 2ayy h GLU 723 Ca 0.08 -0.21 -0.26 0.00 0.07 0.00 0.00 59.36 59.04 2ayy h GLU 723 Cb 0.81 -0.06 0.02 0.00 0.50 0.00 0.00 28.75 30.02 2ayy h GLU 723 CO 0.07 0.76 -1.04 1.15 0.07 0.00 0.00 179.01 180.02 2ayy h THR 724 N 0.58 1.32 -0.34 -1.06 2.02 -1.27 -2.33 112.91 111.84 2ayy h THR 724 Ca 0.10 -2.33 -0.17 0.00 0.77 0.00 0.00 66.41 64.78 2ayy h THR 724 Cb 0.58 2.42 -0.00 0.00 -1.74 0.00 0.00 68.15 69.41 2ayy h THR 724 CO 0.04 0.71 -0.45 0.77 0.37 0.00 0.00 175.52 176.96 2ayy h SER 725 N 0.34 0.98 0.48 4.18 4.64 -1.27 -3.12 113.55 119.78 2ayy h SER 725 Ca -0.12 -0.50 -0.17 0.00 -0.47 0.00 0.00 61.79 60.53 2ayy h SER 725 Cb 1.69 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 63.49 2ayy h SER 725 CO 0.20 1.28 -0.73 0.25 -0.87 0.00 0.00 176.83 176.96 2ayy h LEU 726 N 0.70 0.24 -0.92 5.97 5.85 -1.30 -3.03 115.31 122.82 2ayy h LEU 726 Ca 0.04 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2ayy h LEU 726 Cb 1.05 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.01 2ayy h LEU 726 CO 0.11 0.88 0.00 1.56 -0.34 0.00 0.00 178.44 180.65 2ayy h GLN 727 N 0.13 0.00 0.00 1.25 4.20 -1.37 -2.78 115.11 116.54 2ayy h GLN 727 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2ayy h GLN 727 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 2ayy h GLN 727 CO 0.11 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.27 2ayy h ARG 728 N 0.00 0.00 0.00 1.46 3.08 -1.47 0.68 114.38 118.12 2ayy h ARG 728 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2ayy h ARG 728 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2ayy h ARG 728 CO 0.00 0.00 -0.33 0.45 -1.07 0.00 0.00 179.97 179.02 2ayy n SER 729 N -2.43 0.42 0.00 7.04 2.88 -1.05 -4.91 113.62 115.57 2ayy n SER 729 Ca -0.01 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2ayy n SER 729 Cb 0.11 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 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 1.45 1.33 3.86 0.46 0.00 0.23 -5.10 105.19 107.42 2ayy n GLY 730 Ca 0.06 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 5.28 -0.19 -0.61 1.01 -1.22 -4.62 121.20 118.85 2ayy s ILE 731 Ca 0.00 0.46 -0.13 0.00 0.00 0.00 0.00 60.65 60.98 2ayy s ILE 731 Cb 0.00 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 2ayy s ILE 731 CO 0.00 0.57 0.26 0.54 0.00 0.00 0.00 174.94 176.31 2ayy s VAL 732 N -1.09 5.31 0.37 2.92 0.11 -0.60 -4.50 120.40 122.92 2ayy s VAL 732 Ca 0.20 0.45 -0.03 0.00 -2.93 0.00 0.00 61.98 59.67 2ayy s VAL 732 Cb -0.14 -3.60 -0.04 0.00 -1.53 0.00 0.00 36.38 31.07 2ayy s VAL 732 CO 0.09 0.36 0.62 0.68 -3.33 0.00 0.00 175.10 173.52 2ayy s VAL 733 N 0.76 5.01 -0.09 2.04 -7.23 -1.26 -1.57 120.40 118.06 2ayy s VAL 733 Ca 0.14 -0.06 -0.09 0.00 -1.81 0.00 0.00 61.98 60.15 2ayy s VAL 733 Cb -0.13 -3.81 0.02 0.00 0.56 0.00 0.00 36.38 33.02 2ayy s VAL 733 CO 0.04 -0.55 0.25 -0.89 -0.31 0.00 0.00 175.10 173.64 2ayy s THR 734 N -2.35 0.01 -0.19 5.32 2.01 0.01 -4.87 115.64 115.57 2ayy s THR 734 Ca 0.44 -0.06 -0.28 0.00 0.31 0.00 0.00 61.69 62.09 2ayy s THR 734 Cb -0.10 -0.38 0.00 0.00 0.01 0.00 0.00 72.50 72.03 2ayy s THR 734 CO 0.36 -0.04 0.99 -0.89 -0.69 0.00 0.00 174.62 174.35 2ayy s THR 735 N -0.03 4.74 -0.81 -0.82 2.01 -1.26 -0.70 115.64 118.78 2ayy s THR 735 Ca -0.02 1.95 -0.25 0.00 0.31 0.00 0.00 61.69 63.68 2ayy s THR 735 Cb -0.02 -4.27 0.00 0.00 0.01 0.00 0.00 72.50 68.22 2ayy s THR 735 CO 0.01 -0.10 1.63 -0.47 -0.69 0.00 0.00 174.62 175.00 2ayy s TYR 736 N 2.73 2.06 -0.16 4.92 5.04 -0.74 -4.77 117.35 126.43 2ayy s TYR 736 Ca 0.44 0.15 -0.15 0.00 -2.44 0.00 0.00 57.07 55.07 2ayy s TYR 736 Cb -0.16 -4.37 -0.05 0.00 0.35 0.00 0.00 41.96 37.73 2ayy s TYR 736 CO 0.10 -2.04 -0.29 -1.91 -1.34 0.00 0.00 175.55 170.08 2ayy n GLU 737 N 9.10 0.48 -2.70 4.97 2.13 -1.26 -4.72 120.64 128.64 2ayy n GLU 737 Ca 0.23 0.28 -0.06 0.00 0.66 0.00 0.00 57.16 58.27 2ayy n GLU 737 Cb 0.50 -1.44 0.07 0.00 0.27 0.00 0.00 31.44 30.84 2ayy n GLU 737 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ayy n GLY 738 N 1.50 -0.86 0.92 8.31 0.00 -1.26 -5.16 105.19 108.65 2ayy n GLY 738 Ca -0.11 0.59 -0.05 0.00 0.00 0.00 0.00 46.02 46.44 2ayy n GLY 738 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ayy n GLN 739 N 1.36 0.14 -3.83 1.61 0.00 -1.26 -5.17 117.38 110.22 2ayy n GLN 739 Ca 0.04 -0.91 -0.25 0.00 0.00 0.00 0.00 57.00 55.88 2ayy n GLN 739 Cb 0.68 0.78 -0.03 0.00 0.00 0.00 0.00 30.24 31.67 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 -2.34 3.47 0.36 2.61 2.02 -1.26 -5.07 118.70 118.48 2ayy s GLU 740 Ca 0.11 -0.54 -0.27 0.00 0.02 0.00 0.00 54.97 54.29 2ayy s GLU 740 Cb 0.00 -2.89 -0.09 0.00 0.10 0.00 0.00 34.13 31.25 2ayy s GLU 740 CO 0.07 0.44 1.21 -2.14 0.02 0.00 0.00 175.26 174.86 2ayy s PRO 741 N -3.51 4.22 -0.10 0.39 0.02 -1.26 -5.05 135.00 129.71 2ayy s PRO 741 Ca 0.36 1.98 -0.02 0.00 0.02 0.00 0.00 61.00 63.33 2ayy s PRO 741 Cb -0.10 -2.88 -0.03 0.00 0.02 0.00 0.00 34.50 31.50 2ayy s PRO 741 CO 0.29 -0.22 0.00 0.95 -0.33 0.00 0.00 177.00 177.70 2ayy s THR 742 N -1.28 4.30 0.12 0.99 -4.23 -1.26 -4.80 115.64 109.48 2ayy s THR 742 Ca 0.53 -0.25 0.33 0.00 -1.18 0.00 0.00 61.69 61.12 2ayy s THR 742 Cb -0.34 -2.82 0.35 0.00 1.34 0.00 0.00 72.50 71.03 2ayy s THR 742 CO 0.44 0.59 2.00 -0.65 -0.54 0.00 0.00 174.62 176.46 2ayy h PRO 743 N 5.39 0.00 -0.01 3.99 0.11 -1.86 -2.04 132.00 137.59 2ayy h PRO 743 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2ayy h PRO 743 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2ayy h PRO 743 CO 0.56 0.00 -0.12 0.39 -0.21 0.00 0.00 178.00 178.62 2ayy n GLU 744 N -2.78 1.40 -3.99 1.05 -0.58 -1.26 -1.69 120.64 112.78 2ayy n GLU 744 Ca -0.01 -0.85 -0.21 0.00 -0.42 0.00 0.00 57.16 55.67 2ayy n GLU 744 Cb 0.17 -1.14 -0.03 0.00 -0.57 0.00 0.00 31.44 29.87 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 -1.19 6.12 0.05 1.62 1.11 -0.77 -4.64 116.67 118.97 2ayy s ASP 745 Ca 0.10 -0.02 0.07 0.00 0.18 0.00 0.00 52.55 52.89 2ayy s ASP 745 Cb 0.09 -1.73 -0.03 0.00 1.07 0.00 0.00 42.92 42.31 2ayy s ASP 745 CO 0.21 -0.07 -0.15 0.68 1.18 0.00 0.00 175.17 177.01 2ayy s VAL 746 N -2.02 3.02 -0.44 -1.27 -7.23 -1.17 -1.82 120.40 109.46 2ayy s VAL 746 Ca 0.34 -1.17 -0.06 0.00 -1.81 0.00 0.00 61.98 59.28 2ayy s VAL 746 Cb -0.09 -2.31 0.11 0.00 0.56 0.00 0.00 36.38 34.65 2ayy s VAL 746 CO 0.28 0.28 0.27 -0.22 -0.31 0.00 0.00 175.10 175.40 2ayy s LEU 747 N -1.63 5.45 -0.50 1.32 0.20 -0.81 -0.73 118.68 121.98 2ayy s LEU 747 Ca 0.16 -1.99 -0.23 0.00 0.69 0.00 0.00 54.13 52.77 2ayy s LEU 747 Cb -0.11 -1.91 0.04 0.00 -0.43 0.00 0.00 46.19 43.78 2ayy s LEU 747 CO 0.07 -0.61 0.80 -0.63 -0.29 0.00 0.00 176.35 175.70 2ayy s ILE 748 N 1.23 4.61 0.16 6.68 1.01 0.21 -0.66 121.20 134.44 2ayy s ILE 748 Ca 0.07 0.17 0.11 0.00 0.00 0.00 0.00 60.65 61.00 2ayy s ILE 748 Cb -0.24 -4.39 -0.04 0.00 0.01 0.00 0.00 42.46 37.80 2ayy s ILE 748 CO -0.03 -0.87 -0.25 0.42 0.00 0.00 0.00 174.94 174.21 2ayy s THR 749 N 3.37 2.26 0.05 2.92 -4.23 0.27 -0.66 115.64 119.62 2ayy s THR 749 Ca 0.27 -1.91 0.07 0.00 -1.18 0.00 0.00 61.69 58.94 2ayy s THR 749 Cb -0.14 -2.04 -0.03 0.00 1.34 0.00 0.00 72.50 71.64 2ayy s THR 749 CO 0.19 -0.05 -0.20 -0.62 -0.54 0.00 0.00 174.62 173.40 2ayy s ASP 750 N -2.41 2.37 0.42 3.99 2.15 -1.00 -0.93 116.67 121.26 2ayy s ASP 750 Ca 0.17 -0.53 0.00 0.00 0.43 0.00 0.00 52.55 52.62 2ayy s ASP 750 Cb -0.09 -0.18 0.00 0.00 -0.30 0.00 0.00 42.92 42.35 2ayy s ASP 750 CO 0.08 0.13 0.00 1.21 -0.17 0.00 0.00 175.17 176.42 2ayy n GLU 751 N 1.77 0.00 -3.62 4.34 2.13 -0.27 -4.46 120.64 120.53 2ayy n GLU 751 Ca -0.18 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.25 2ayy n GLU 751 Cb 0.53 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 32.13 2ayy n GLU 751 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2ayy s VAL 752 N 0.00 4.64 -0.05 6.31 1.01 -1.26 -4.74 120.40 126.31 2ayy s VAL 752 Ca 0.00 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 61.49 2ayy s VAL 752 Cb 0.00 -3.45 -0.12 0.00 0.00 0.00 0.00 36.38 32.81 2ayy s VAL 752 CO 0.00 -0.05 0.11 1.33 0.00 0.00 0.00 175.10 176.48 2ayy n VAL 753 N 5.00 0.29 -3.69 2.92 0.24 -1.26 -5.02 118.33 116.80 2ayy n VAL 753 Ca -0.13 -0.28 -0.27 0.00 -2.04 0.00 0.00 64.34 61.63 2ayy n VAL 753 Cb 0.48 -0.26 0.05 0.00 -1.47 0.00 0.00 33.84 32.64 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 -2.06 -5.54 -4.44 -1.34 7.64 -1.26 -4.99 113.62 101.63 2ayy n SER 754 Ca -0.08 -0.63 -0.25 0.00 1.01 0.00 0.00 58.87 58.93 2ayy n SER 754 Cb 0.50 -4.40 -0.11 0.00 -1.01 0.00 0.00 64.21 59.20 2ayy n SER 754 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2ayy s LYS 755 N -6.40 1.58 0.00 1.43 2.20 -1.26 -4.94 119.74 112.34 2ayy s LYS 755 Ca 0.60 -1.65 0.06 0.00 -0.36 0.00 0.00 55.97 54.62 2ayy s LYS 755 Cb -0.28 -1.76 -0.03 0.00 -1.51 0.00 0.00 37.83 34.25 2ayy s LYS 755 CO 0.74 0.35 -0.19 0.15 -0.36 0.00 0.00 175.35 176.04 2ayy s LYS 756 N -3.15 2.20 -0.47 4.03 -0.14 -1.26 -4.73 119.74 116.23 2ayy s LYS 756 Ca 0.25 -0.89 -0.12 0.00 -1.36 0.00 0.00 55.97 53.86 2ayy s LYS 756 Cb -0.06 -2.21 0.09 0.00 -1.68 0.00 0.00 37.83 33.98 2ayy s LYS 756 CO 0.12 0.57 0.36 -0.46 -0.76 0.00 0.00 175.35 175.18 2ayy s TRP 757 N -0.80 3.32 -1.40 3.18 -0.11 -1.26 -4.91 118.94 116.95 2ayy s TRP 757 Ca 0.13 -1.40 -0.12 0.00 1.22 0.00 0.00 56.10 55.92 2ayy s TRP 757 Cb -0.10 -3.28 0.08 0.00 -1.50 0.00 0.00 33.47 28.67 2ayy s TRP 757 CO 0.02 -0.90 2.15 1.04 -4.62 0.00 0.00 176.95 174.65 2ayy n GLN 758 N 5.05 3.19 0.00 5.86 3.00 -1.26 -4.76 117.38 128.46 2ayy n GLN 758 Ca -0.11 -2.91 0.00 0.00 -0.01 0.00 0.00 57.00 53.97 2ayy n GLN 758 Cb 0.42 -3.13 0.00 0.00 0.00 0.00 0.00 30.24 27.53 2ayy n GLN 758 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ayy n GLY 759 N 3.58 4.09 0.13 1.08 0.00 -1.26 -4.13 105.19 108.68 2ayy n GLY 759 Ca 0.49 -0.35 -0.05 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.22 -2.25 1.61 9.65 -0.54 -3.44 114.38 119.19 2ayy h ARG 760 Ca 0.00 0.01 0.14 0.00 -1.10 0.00 0.00 59.98 59.03 2ayy h ARG 760 Cb 0.00 0.05 -0.13 0.00 -1.39 0.00 0.00 29.97 28.50 2ayy h ARG 760 CO 0.00 -0.04 0.51 0.00 2.80 0.00 0.00 179.97 183.24 2ayy s ALA 761 N -3.18 -1.80 -0.03 2.80 0.00 -1.24 -4.91 121.76 113.40 2ayy s ALA 761 Ca -0.06 0.79 0.06 0.00 0.00 0.00 0.00 51.96 52.75 2ayy s ALA 761 Cb 0.00 0.46 -0.02 0.00 0.00 0.00 0.00 23.12 23.55 2ayy s ALA 761 CO 0.19 -0.79 -0.20 0.08 0.00 0.00 0.00 175.76 175.04 2ayy s VAL 762 N -3.12 2.60 -0.42 0.00 1.01 -0.16 -1.92 120.40 118.39 2ayy s VAL 762 Ca 0.07 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.16 2ayy s VAL 762 Cb -0.01 -1.98 0.12 0.00 0.00 0.00 0.00 36.38 34.51 2ayy s VAL 762 CO -0.06 0.57 0.18 -0.69 0.00 0.00 0.00 175.10 175.10 2ayy s VAL 763 N -0.69 1.99 -0.21 2.92 1.01 0.16 -0.46 120.40 125.13 2ayy s VAL 763 Ca 0.11 -2.61 -0.08 0.00 0.00 0.00 0.00 61.98 59.40 2ayy s VAL 763 Cb -0.10 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 2ayy s VAL 763 CO 0.00 -0.75 0.08 -0.89 0.00 0.00 0.00 175.10 173.54 2ayy s THR 764 N 0.44 4.78 -0.18 3.92 2.01 -0.14 -0.57 115.64 125.90 2ayy s THR 764 Ca 0.15 -0.03 -0.04 0.00 0.31 0.00 0.00 61.69 62.07 2ayy s THR 764 Cb -0.23 -3.18 -0.02 0.00 0.01 0.00 0.00 72.50 69.08 2ayy s THR 764 CO -0.05 0.41 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.91 2ayy s PHE 765 N 0.77 3.02 0.00 4.92 0.40 -0.10 -2.07 117.98 124.93 2ayy s PHE 765 Ca 0.04 -0.44 0.00 0.00 -0.60 0.00 0.00 56.93 55.94 2ayy s PHE 765 Cb -0.13 -2.04 0.00 0.00 0.51 0.00 0.00 43.02 41.36 2ayy s PHE 765 CO 0.02 -0.19 0.00 0.00 0.70 0.00 0.00 175.22 175.75 2ayy n ARG 767 N 0.00 1.08 -2.92 0.00 1.74 -1.26 -1.91 116.66 113.39 2ayy n ARG 767 Ca 0.00 -3.46 -0.11 0.00 -0.77 0.00 0.00 57.85 53.51 2ayy n ARG 767 Cb 0.00 -1.63 0.01 0.00 -1.02 0.00 0.00 32.46 29.83 2ayy n ARG 767 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2ayy n ARG 768 N 0.55 -2.33 -3.69 5.56 1.74 -1.26 -5.06 116.66 112.17 2ayy n ARG 768 Ca 0.24 2.05 -0.14 0.00 -0.77 0.00 0.00 57.85 59.24 2ayy n ARG 768 Cb 0.60 -5.32 -0.14 0.00 -1.02 0.00 0.00 32.46 26.58 2ayy n ARG 768 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2ayy s HIS 769 N -2.50 -0.33 -0.26 -1.55 3.76 -1.26 -5.13 115.29 108.03 2ayy s HIS 769 Ca 0.26 0.80 -0.23 0.00 -0.15 0.00 0.00 55.06 55.74 2ayy s HIS 769 Cb -0.07 -0.05 -0.01 0.00 1.11 0.00 0.00 32.58 33.57 2ayy s HIS 769 CO 0.78 -0.28 0.76 0.42 -0.85 0.00 0.00 174.74 175.58 2ayy s ILE 770 N 1.87 4.87 0.00 0.60 1.09 -1.26 -4.36 121.20 124.01 2ayy s ILE 770 Ca -0.03 1.37 0.00 0.00 -1.10 0.00 0.00 60.65 60.89 2ayy s ILE 770 Cb -0.11 -4.07 0.00 0.00 -1.06 0.00 0.00 42.46 37.22 2ayy s ILE 770 CO -0.08 -0.08 0.00 0.61 -0.10 0.00 0.00 174.94 175.29 2ayy n GLY 771 N 3.96 0.37 3.86 6.18 0.00 -1.26 -5.08 105.19 113.22 2ayy n GLY 771 Ca 0.03 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 2ayy n GLY 771 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ayy s ILE 772 N 0.00 4.58 -0.04 -0.61 -5.25 -1.26 -4.20 121.20 114.42 2ayy s ILE 772 Ca 0.00 -1.30 -0.30 0.00 -0.99 0.00 0.00 60.65 58.06 2ayy s ILE 772 Cb 0.00 -3.50 -0.08 0.00 2.95 0.00 0.00 42.46 41.83 2ayy s ILE 772 CO 0.00 -0.33 2.03 -0.81 -1.79 0.00 0.00 174.94 174.04 2ayy n PRO 773 N -1.25 2.59 -1.20 0.37 -0.04 -1.26 -4.86 135.00 129.34 2ayy n PRO 773 Ca -0.08 0.91 -0.19 0.00 -0.04 0.00 0.00 63.50 64.10 2ayy n PRO 773 Cb 0.58 -3.03 -0.10 0.00 -0.04 0.00 0.00 33.50 30.91 2ayy n PRO 773 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2ayy n LEU 774 N 8.46 5.86 0.00 1.53 -0.00 -1.26 -4.53 117.00 127.07 2ayy n LEU 774 Ca 0.23 -3.56 0.00 0.00 -0.00 0.00 0.00 56.01 52.68 2ayy n LEU 774 Cb 0.41 -1.31 0.00 0.00 -0.00 0.00 0.00 43.42 42.52 2ayy n LEU 774 CO 0.68 1.67 0.00 1.21 -0.00 0.00 0.00 177.39 180.95 2ayy n GLU 775 N 1.62 0.00 -2.40 1.47 2.13 -1.24 -4.74 120.64 117.48 2ayy n GLU 775 Ca 0.44 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 58.13 2ayy n GLU 775 Cb 0.72 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.42 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 -2.21 -3.62 5.31 4.76 -1.26 -4.91 118.16 130.24 2ayy n LYS 776 Ca 0.00 0.59 -0.03 0.00 -2.87 0.00 0.00 58.31 56.00 2ayy n LYS 776 Cb 0.00 -5.18 -0.06 0.00 -1.84 0.00 0.00 35.03 27.95 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 -2.59 -2.22 -0.65 7.82 0.00 -1.26 -5.10 121.76 117.75 2ayy s ALA 777 Ca 0.00 2.25 -0.26 0.00 0.00 0.00 0.00 51.96 53.95 2ayy s ALA 777 Cb 0.00 -1.69 -0.08 0.00 0.00 0.00 0.00 23.12 21.35 2ayy s ALA 777 CO 0.00 -0.46 2.25 -2.14 0.00 0.00 0.00 175.76 175.42 2ayy s PRO 778 N 1.62 2.10 0.00 0.00 0.02 -1.26 -2.17 135.00 135.31 2ayy s PRO 778 Ca -0.08 0.78 0.00 0.00 0.02 0.00 0.00 61.00 61.72 2ayy s PRO 778 Cb -0.05 -4.67 0.00 0.00 0.02 0.00 0.00 34.50 29.81 2ayy s PRO 778 CO -0.17 -3.54 0.00 0.41 -0.33 0.00 0.00 177.00 173.38 2ayy n GLY 779 N 6.29 0.70 2.84 0.52 0.00 -1.26 -5.11 105.19 109.17 2ayy n GLY 779 Ca 0.37 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.16 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 0.92 0.16 1.61 -1.05 -0.92 -0.99 118.70 118.43 2ayy s GLU 780 Ca 0.00 -0.05 0.08 0.00 -0.15 0.00 0.00 54.97 54.85 2ayy s GLU 780 Cb 0.00 -1.09 -0.04 0.00 -0.44 0.00 0.00 34.13 32.56 2ayy s GLU 780 CO 0.00 -0.22 -0.07 -1.58 0.95 0.00 0.00 175.26 174.34 2ayy s TRP 781 N 1.57 2.71 -0.08 4.83 0.52 0.40 -3.65 118.94 125.24 2ayy s TRP 781 Ca -0.00 -0.18 -0.10 0.00 0.02 0.00 0.00 56.10 55.83 2ayy s TRP 781 Cb -0.13 -1.34 0.02 0.00 -1.15 0.00 0.00 33.47 30.87 2ayy s TRP 781 CO -0.04 0.50 0.27 0.54 0.02 0.00 0.00 176.95 178.24 2ayy s VAL 782 N -1.61 0.02 0.13 4.03 0.11 -1.25 -0.97 120.40 120.87 2ayy s VAL 782 Ca 0.25 -0.14 -0.24 0.00 -2.93 0.00 0.00 61.98 58.92 2ayy s VAL 782 Cb -0.09 -0.44 0.07 0.00 -1.53 0.00 0.00 36.38 34.39 2ayy s VAL 782 CO 0.16 -0.08 0.67 -2.28 -3.33 0.00 0.00 175.10 170.24 2ayy s HIS 783 N -0.23 -0.47 0.08 1.54 2.46 -0.88 -4.85 115.29 112.93 2ayy s HIS 783 Ca -0.04 0.26 -0.31 0.00 0.47 0.00 0.00 55.06 55.45 2ayy s HIS 783 Cb -0.03 0.57 -0.06 0.00 -0.13 0.00 0.00 32.58 32.92 2ayy s HIS 783 CO 0.01 -0.81 1.23 -1.12 -2.47 0.00 0.00 174.74 171.58 2ayy s SER 784 N -2.71 7.04 -0.82 9.88 0.01 -1.23 -0.78 113.70 125.08 2ayy s SER 784 Ca 0.03 2.08 -0.06 0.00 1.31 0.00 0.00 55.95 59.30 2ayy s SER 784 Cb -0.01 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.54 2ayy s SER 784 CO -0.11 -0.49 2.40 0.52 0.41 0.00 0.00 173.24 175.96 2ayy n VAL 785 N 3.86 2.69 -0.48 3.43 0.31 -0.80 -3.68 118.33 123.66 2ayy n VAL 785 Ca 0.09 -1.56 0.00 0.00 -0.01 0.00 0.00 64.34 62.87 2ayy n VAL 785 Cb 0.46 -2.15 0.00 0.00 -0.91 0.00 0.00 33.84 31.24 2ayy n VAL 785 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ayy n ALA 786 N 3.70 1.36 -3.40 3.52 0.00 -1.26 -4.95 120.51 119.48 2ayy n ALA 786 Ca 0.47 -0.39 -0.20 0.00 0.00 0.00 0.00 53.44 53.32 2ayy n ALA 786 Cb 0.27 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.63 2ayy n ALA 786 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ayy s ALA 787 N -0.13 -0.10 0.61 0.00 0.00 -1.24 -5.01 121.76 115.89 2ayy s ALA 787 Ca 0.00 -1.06 0.31 0.00 0.00 0.00 0.00 51.96 51.22 2ayy s ALA 787 Cb 0.00 -1.88 1.83 0.00 0.00 0.00 0.00 23.12 23.07 2ayy s ALA 787 CO 0.00 -2.04 2.18 -1.35 0.00 0.00 0.00 175.76 174.56 2ayy h PRO 788 N 7.32 0.00 0.00 0.00 0.11 -1.92 -2.45 132.00 135.06 2ayy h PRO 788 Ca 0.01 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 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 0.25 0.00 -0.07 1.12 -0.21 0.00 0.00 178.00 179.09 2ayy h HIS 789 N 0.00 0.00 0.00 0.65 2.07 -1.98 -2.58 115.15 113.31 2ayy h HIS 789 Ca 0.04 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.51 2ayy h HIS 789 Cb 0.27 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.24 2ayy h HIS 789 CO 0.00 0.07 -0.30 0.93 -3.07 0.00 0.00 177.93 175.56 2ayy h GLU 790 N 0.00 0.00 0.60 5.12 5.08 -1.77 -3.35 114.58 120.26 2ayy h GLU 790 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2ayy h GLU 790 Cb 0.31 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.57 2ayy h GLU 790 CO 0.01 0.23 -0.29 -0.07 -1.00 0.00 0.00 179.01 177.89 2ayy h LEU 791 N 0.00 -0.68 -1.21 1.33 4.07 -1.63 -1.81 115.31 115.39 2ayy h LEU 791 Ca -0.01 0.02 -0.07 0.00 0.08 0.00 0.00 57.88 57.91 2ayy h LEU 791 Cb 1.19 0.18 -0.01 0.00 1.08 0.00 0.00 40.66 43.09 2ayy h LEU 791 CO 0.03 -0.33 -0.20 -0.65 -1.08 0.00 0.00 178.44 176.21 2ayy h PRO 792 N -1.12 0.30 -0.39 1.13 0.11 -1.74 -0.85 132.00 129.44 2ayy h PRO 792 Ca -0.08 -0.09 -0.08 0.00 0.11 0.00 0.00 66.00 65.85 2ayy h PRO 792 Cb 0.62 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 2ayy h PRO 792 CO 0.13 0.50 -0.08 0.00 -0.21 0.00 0.00 178.00 178.34 2ayy h ALA 793 N 1.52 0.53 -0.47 -0.75 0.00 -1.69 -1.74 119.26 116.66 2ayy h ALA 793 Ca 0.05 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 2ayy h ALA 793 Cb 0.52 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2ayy h ALA 793 CO 0.03 0.38 -0.21 1.25 0.00 0.00 0.00 179.25 180.71 2ayy h LEU 794 N 0.54 0.97 -0.29 0.00 7.12 -0.91 -0.50 115.31 122.24 2ayy h LEU 794 Ca 0.10 -0.36 0.01 0.00 0.13 0.00 0.00 57.88 57.76 2ayy h LEU 794 Cb 0.60 -0.27 -0.02 0.00 -0.53 0.00 0.00 40.66 40.44 2ayy h LEU 794 CO 0.04 1.14 0.17 -0.07 -0.13 0.00 0.00 178.44 179.59 2ayy h LEU 795 N 0.82 0.28 -1.13 2.25 3.38 -1.06 -0.57 115.31 119.29 2ayy h LEU 795 Ca 0.11 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 2ayy h LEU 795 Cb 0.77 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2ayy h LEU 795 CO 0.06 0.21 -0.41 0.00 0.09 0.00 0.00 178.44 178.39 2ayy h ALA 796 N 1.12 1.20 -0.13 1.53 0.00 -1.21 -2.68 119.26 119.09 2ayy h ALA 796 Ca 0.11 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2ayy h ALA 796 Cb -0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2ayy h ALA 796 CO -0.05 0.51 -0.03 -0.09 0.00 0.00 0.00 179.25 179.59 2ayy h ARG 797 N 0.00 0.24 -0.70 0.00 2.43 -0.43 0.26 114.38 116.18 2ayy h ARG 797 Ca -0.00 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.03 2ayy h ARG 797 Cb 0.78 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.29 2ayy h ARG 797 CO 0.05 0.55 0.26 0.82 -1.51 0.00 0.00 179.97 180.15 2ayy h ILE 798 N -0.07 1.25 -0.01 1.20 2.04 -1.03 -1.05 117.51 119.83 2ayy h ILE 798 Ca 0.03 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.09 2ayy h ILE 798 Cb 0.46 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2ayy h ILE 798 CO 0.01 0.32 0.00 -1.22 0.00 0.00 0.00 178.15 177.26 2ayy n TYR 799 N -4.35 0.01 -3.84 1.37 4.01 -1.02 -4.92 117.16 108.43 2ayy n TYR 799 Ca 0.05 -0.01 -0.30 0.00 -0.16 0.00 0.00 57.90 57.49 2ayy n TYR 799 Cb 0.19 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.23 2ayy n TYR 799 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 2ayy n LEU 800 N -0.70 -2.34 0.00 7.72 7.94 -0.40 -4.97 117.00 124.25 2ayy n LEU 800 Ca 0.21 -1.04 0.00 0.00 -1.11 0.00 0.00 56.01 54.07 2ayy n LEU 800 Cb 0.15 -2.25 0.00 0.00 0.53 0.00 0.00 43.42 41.85 2ayy n LEU 800 CO 0.16 0.49 0.00 -0.38 -1.11 0.00 0.00 177.39 176.55 2ayy n ILE 801 N -4.36 0.00 0.00 1.96 5.41 0.79 -5.02 119.36 118.13 2ayy n ILE 801 Ca -0.19 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.56 2ayy n ILE 801 Cb 0.63 -0.23 0.00 0.00 -0.71 0.00 0.00 39.64 39.33 2ayy n ILE 801 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2ayy n GLU 802 N -0.56 0.00 -1.67 0.38 2.13 -1.26 -5.07 120.64 114.59 2ayy n GLU 802 Ca 0.00 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.56 2ayy n GLU 802 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 2ayy n GLU 802 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 2ayy s MET 803 N -1.15 2.00 -0.04 5.31 -1.94 -1.26 -4.89 119.30 117.33 2ayy s MET 803 Ca 0.00 0.78 -0.03 0.00 -1.71 0.00 0.00 55.69 54.73 2ayy s MET 803 Cb 0.00 -4.70 0.02 0.00 2.01 0.00 0.00 34.83 32.16 2ayy s MET 803 CO 0.00 -3.71 0.09 -2.00 -0.01 0.00 0.00 175.02 169.40 2ayy s GLU 804 N 8.26 0.08 -0.22 2.03 -6.30 -1.26 -4.36 118.70 116.93 2ayy s GLU 804 Ca 0.89 0.19 -0.30 0.00 -2.50 0.00 0.00 54.97 53.25 2ayy s GLU 804 Cb -0.14 -0.04 0.16 0.00 0.00 0.00 0.00 34.13 34.11 2ayy s GLU 804 CO 0.15 -0.07 1.18 -1.12 0.02 0.00 0.00 175.26 175.42 2ayy s SER 805 N 0.44 -0.20 0.00 -1.70 0.01 -1.26 -5.11 113.70 105.89 2ayy s SER 805 Ca -0.03 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.42 2ayy s SER 805 Cb -0.05 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.35 2ayy s SER 805 CO -0.02 -0.20 0.00 -0.67 0.41 0.00 0.00 173.24 172.76 2ayy n ASP 806 N 0.52 0.62 -3.96 2.44 -0.08 -1.26 -4.87 116.55 109.96 2ayy n ASP 806 Ca -0.04 -0.62 -0.31 0.00 -1.51 0.00 0.00 54.79 52.31 2ayy n ASP 806 Cb 0.58 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.92 2ayy n ASP 806 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2ayy s ASP 807 N -0.76 4.67 -0.04 1.67 2.15 -1.26 -4.95 116.67 118.14 2ayy s ASP 807 Ca 0.00 -3.27 0.00 0.00 0.43 0.00 0.00 52.55 49.71 2ayy s ASP 807 Cb 0.00 -1.68 0.05 0.00 -0.30 0.00 0.00 42.92 40.99 2ayy s ASP 807 CO 0.00 -0.20 1.28 -0.81 -0.17 0.00 0.00 175.17 175.26 2ayy n PRO 808 N 2.79 1.12 -0.19 4.34 -0.04 -1.26 -4.18 135.00 137.57 2ayy n PRO 808 Ca 0.10 -0.26 0.03 0.00 -0.04 0.00 0.00 63.50 63.33 2ayy n PRO 808 Cb 0.34 -1.10 0.12 0.00 -0.04 0.00 0.00 33.50 32.81 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 0.56 2.66 -1.90 0.55 0.00 -1.26 -4.83 120.51 116.29 2ayy n ALA 809 Ca 0.05 -0.51 -0.41 0.00 0.00 0.00 0.00 53.44 52.58 2ayy n ALA 809 Cb 0.58 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.70 5.45 0.10 0.00 2.47 -1.26 -4.96 114.94 116.03 2ayy s ASN 810 Ca 0.17 1.06 0.04 0.00 0.42 0.00 0.00 52.86 54.55 2ayy s ASN 810 Cb 0.11 -2.52 -0.04 0.00 -1.45 0.00 0.00 41.25 37.34 2ayy s ASN 810 CO 0.09 -2.10 0.07 0.00 -3.72 0.00 0.00 177.10 171.43 2ayy s ALA 811 N 8.47 3.49 -0.35 1.71 0.00 -1.26 -5.09 121.76 128.72 2ayy s ALA 811 Ca 0.81 -1.08 -0.09 0.00 0.00 0.00 0.00 51.96 51.61 2ayy s ALA 811 Cb -0.20 -1.36 0.03 0.00 0.00 0.00 0.00 23.12 21.59 2ayy s ALA 811 CO 0.29 0.70 0.16 -0.51 0.00 0.00 0.00 175.76 176.39 2ayy s LEU 812 N -2.49 4.49 -1.51 0.00 1.43 -1.26 -4.99 118.68 114.35 2ayy s LEU 812 Ca 0.29 -1.02 -0.09 0.00 -1.03 0.00 0.00 54.13 52.27 2ayy s LEU 812 Cb -0.12 -1.95 -0.08 0.00 0.03 0.00 0.00 46.19 44.07 2ayy s LEU 812 CO 0.21 -0.34 2.81 -2.65 0.23 0.00 0.00 176.35 176.61 2ayy n PRO 813 N 4.92 3.43 -3.78 1.29 -0.02 -1.26 -4.83 135.00 134.74 2ayy n PRO 813 Ca -0.12 -2.10 -0.13 0.00 -2.02 0.00 0.00 63.50 59.14 2ayy n PRO 813 Cb 0.46 -2.76 -0.11 0.00 -0.02 0.00 0.00 33.50 31.07 2ayy n PRO 813 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2ayy s SER 814 N 2.40 -0.25 0.00 2.55 0.01 -1.26 -5.09 113.70 112.06 2ayy s SER 814 Ca 0.65 0.41 0.00 0.00 1.31 0.00 0.00 55.95 58.32 2ayy s SER 814 Cb 0.17 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.90 2ayy s SER 814 CO -0.06 -0.19 0.00 0.41 0.41 0.00 0.00 173.24 173.81 2ayy n THR 815 N 2.47 0.00 -1.92 1.44 -1.04 -1.26 -5.27 114.28 108.71 2ayy n THR 815 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 2ayy n THR 815 Cb 0.57 -0.23 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 2ayy n THR 815 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76