#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 0.57 0.00 3.17 0.00 -1.26 -5.11 105.19 102.57 2ayy n GLY 697 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ayy n GLY 697 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ayy n GLY 698 N 0.00 2.89 3.94 -0.02 0.00 -1.26 -5.09 105.19 105.65 2ayy n GLY 698 Ca 0.00 -1.63 -0.24 0.00 0.00 0.00 0.00 46.02 44.15 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 0.00 5.10 0.00 1.61 0.01 -1.26 -5.10 113.70 114.06 2ayy s SER 699 Ca 0.00 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.61 2ayy s SER 699 Cb 0.00 -1.14 0.00 0.00 0.21 0.00 0.00 66.02 65.09 2ayy s SER 699 CO 0.00 -1.35 0.00 0.61 0.41 0.00 0.00 173.24 172.91 2ayy n GLY 700 N -2.67 0.43 3.31 3.44 0.00 -1.26 -5.10 105.19 103.33 2ayy n GLY 700 Ca 0.07 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 0.04 0.04 1.61 0.11 -1.26 -5.15 120.40 115.79 2ayy s VAL 701 Ca 0.00 -0.31 -0.24 0.00 -2.93 0.00 0.00 61.98 58.50 2ayy s VAL 701 Cb 0.00 -0.69 -0.05 0.00 -1.53 0.00 0.00 36.38 34.11 2ayy s VAL 701 CO 0.00 -0.17 0.72 -1.61 -3.33 0.00 0.00 175.10 170.71 2ayy s GLU 702 N -1.06 4.45 -0.85 1.54 2.02 -1.26 -5.00 118.70 118.54 2ayy s GLU 702 Ca -0.11 0.99 -0.25 0.00 0.02 0.00 0.00 54.97 55.62 2ayy s GLU 702 Cb -0.04 -3.35 0.05 0.00 0.10 0.00 0.00 34.13 30.88 2ayy s GLU 702 CO 0.05 0.31 1.31 0.20 0.02 0.00 0.00 175.26 177.15 2ayy s GLY 703 N -0.12 1.12 -0.20 -1.39 0.00 -1.26 -4.97 107.32 100.50 2ayy s GLY 703 Ca 0.37 -1.82 -0.03 0.00 0.00 0.00 0.00 44.72 43.23 2ayy s GLY 703 CO 0.22 2.58 -0.07 1.08 0.00 0.00 0.00 173.10 176.91 2ayy s LEU 704 N 5.15 2.83 0.34 0.66 1.43 -1.26 -5.10 118.68 122.74 2ayy s LEU 704 Ca 0.38 -0.39 0.04 0.00 -1.03 0.00 0.00 54.13 53.13 2ayy s LEU 704 Cb -0.05 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 2ayy s LEU 704 CO 0.04 0.02 0.14 -0.94 0.23 0.00 0.00 176.35 175.84 2ayy s SER 705 N 1.25 2.09 -0.03 2.29 1.04 -1.26 -5.16 113.70 113.91 2ayy s SER 705 Ca 0.03 -1.58 0.02 0.00 0.48 0.00 0.00 55.95 54.89 2ayy s SER 705 Cb -0.14 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.36 2ayy s SER 705 CO -0.02 -0.87 -0.07 -0.83 0.98 0.00 0.00 173.24 172.43 2ayy s GLY 706 N -3.47 0.44 0.16 7.32 0.00 -1.26 -5.11 107.32 105.40 2ayy s GLY 706 Ca 0.32 -0.20 -0.34 0.00 0.00 0.00 0.00 44.72 44.50 2ayy s GLY 706 CO 0.17 0.08 1.40 0.28 0.00 0.00 0.00 173.10 175.02 2ayy n LYS 707 N 3.49 1.66 -4.09 2.90 4.76 -1.26 -4.72 118.16 120.90 2ayy n LYS 707 Ca -0.20 0.59 -0.31 0.00 -2.87 0.00 0.00 58.31 55.52 2ayy n LYS 707 Cb 0.54 -2.25 -0.07 0.00 -1.84 0.00 0.00 35.03 31.41 2ayy n LYS 707 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2ayy s ARG 708 N 0.27 2.91 -0.05 1.97 0.52 -1.26 -0.77 118.95 122.54 2ayy s ARG 708 Ca 0.77 -0.63 -0.02 0.00 -0.52 0.00 0.00 55.73 55.33 2ayy s ARG 708 Cb -0.78 -2.75 0.03 0.00 0.52 0.00 0.00 34.95 31.97 2ayy s ARG 708 CO 0.46 0.59 0.10 0.00 0.02 0.00 0.00 175.30 176.47 2ayy s TRP 710 N 1.03 3.23 -0.11 0.00 0.52 -0.23 -0.85 118.94 122.54 2ayy s TRP 710 Ca -0.08 0.04 0.01 0.00 0.02 0.00 0.00 56.10 56.10 2ayy s TRP 710 Cb -0.11 -2.27 -0.02 0.00 -1.15 0.00 0.00 33.47 29.93 2ayy s TRP 710 CO -0.04 -0.07 -0.15 -0.48 0.02 0.00 0.00 176.95 176.22 2ayy s LEU 711 N 1.28 2.63 -0.46 2.99 2.34 0.02 -0.77 118.68 126.71 2ayy s LEU 711 Ca 0.06 -0.34 0.08 0.00 0.06 0.00 0.00 54.13 54.00 2ayy s LEU 711 Cb -0.14 -1.57 0.39 0.00 -0.56 0.00 0.00 46.19 44.31 2ayy s LEU 711 CO 0.06 0.20 0.97 0.00 -1.06 0.00 0.00 176.35 176.52 2ayy n ALA 712 N 3.28 4.21 -2.70 1.48 0.00 0.36 -1.23 120.51 125.91 2ayy n ALA 712 Ca -0.18 -4.11 -0.39 0.00 0.00 0.00 0.00 53.44 48.75 2ayy n ALA 712 Cb 0.53 -0.73 -0.05 0.00 0.00 0.00 0.00 19.45 19.20 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 -4.32 5.07 0.05 0.00 1.01 -1.25 -2.60 120.40 118.35 2ayy s VAL 713 Ca 0.44 1.30 0.08 0.00 0.00 0.00 0.00 61.98 63.79 2ayy s VAL 713 Cb 0.36 -3.98 -0.23 0.00 0.00 0.00 0.00 36.38 32.54 2ayy s VAL 713 CO -0.12 0.23 1.01 0.03 0.00 0.00 0.00 175.10 176.25 2ayy h ARG 714 N 6.91 0.03 -6.33 2.72 2.47 -1.97 -3.42 114.38 114.79 2ayy h ARG 714 Ca -0.39 -0.06 -0.54 0.00 -1.26 0.00 0.00 59.98 57.74 2ayy h ARG 714 Cb 1.18 0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 29.47 2ayy h ARG 714 CO 0.76 0.84 1.15 1.21 0.56 0.00 0.00 179.97 184.49 2ayy s ASN 715 N -6.53 5.98 0.31 7.04 3.84 -1.26 -4.87 114.94 119.45 2ayy s ASN 715 Ca -0.02 0.37 0.02 0.00 0.21 0.00 0.00 52.86 53.43 2ayy s ASN 715 Cb 0.09 -2.54 0.51 0.00 -0.55 0.00 0.00 41.25 38.76 2ayy s ASN 715 CO 0.83 -1.81 1.86 0.00 -2.79 0.00 0.00 177.10 175.18 2ayy h ALA 716 N 11.77 1.31 -0.30 1.71 0.00 -1.99 0.99 119.26 132.75 2ayy h ALA 716 Ca -0.27 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 2ayy h ALA 716 Cb 1.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2ayy h ALA 716 CO 1.17 0.48 -0.11 0.77 0.00 0.00 0.00 179.25 181.56 2ayy h SER 717 N 0.65 0.61 -0.07 0.00 0.02 -1.98 -1.28 113.55 111.49 2ayy h SER 717 Ca 0.14 -0.39 -0.01 0.00 -0.84 0.00 0.00 61.79 60.70 2ayy h SER 717 Cb 0.30 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 2ayy h SER 717 CO 0.00 0.86 0.02 0.25 -1.14 0.00 0.00 176.83 176.82 2ayy h LEU 718 N 0.36 0.11 -0.77 5.07 6.46 -1.87 -2.70 115.31 121.97 2ayy h LEU 718 Ca 0.07 -0.23 -0.03 0.00 -0.12 0.00 0.00 57.88 57.57 2ayy h LEU 718 Cb 0.61 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.48 2ayy h LEU 718 CO 0.04 0.31 0.36 0.00 -0.62 0.00 0.00 178.44 178.53 2ayy h GLN 720 N 1.08 0.89 0.13 0.00 1.08 -1.20 0.54 115.11 117.63 2ayy h GLN 720 Ca 0.26 -0.23 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 2ayy h GLN 720 Cb 0.13 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2ayy h GLN 720 CO -0.03 0.85 -0.06 0.35 -0.95 0.00 0.00 178.83 178.98 2ayy h PHE 721 N 0.78 -0.16 -0.16 2.96 3.57 -1.26 -2.29 116.94 120.38 2ayy h PHE 721 Ca 0.17 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 2ayy h PHE 721 Cb 0.38 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 2ayy h PHE 721 CO 0.03 0.05 0.09 1.25 -2.23 0.00 0.00 178.31 177.50 2ayy h LEU 722 N -0.36 0.20 -0.90 0.59 7.12 -1.23 -1.50 115.31 119.24 2ayy h LEU 722 Ca -0.02 -0.08 -0.06 0.00 0.13 0.00 0.00 57.88 57.85 2ayy h LEU 722 Cb 0.29 -0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 40.34 2ayy h LEU 722 CO 0.03 0.22 0.11 1.05 -0.13 0.00 0.00 178.44 179.73 2ayy h GLU 723 N 0.17 0.92 -0.49 1.25 4.11 -0.91 0.33 114.58 119.97 2ayy h GLU 723 Ca 0.06 -0.21 -0.10 0.00 0.07 0.00 0.00 59.36 59.17 2ayy h GLU 723 Cb 0.06 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2ayy h GLU 723 CO -0.01 0.84 -0.09 1.15 0.07 0.00 0.00 179.01 180.97 2ayy h THR 724 N 0.88 1.27 -0.22 -1.06 2.02 -1.27 -1.66 112.91 112.88 2ayy h THR 724 Ca 0.19 -1.22 -0.03 0.00 0.77 0.00 0.00 66.41 66.12 2ayy h THR 724 Cb 0.36 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2ayy h THR 724 CO 0.00 0.42 0.04 0.28 0.37 0.00 0.00 175.52 176.63 2ayy h SER 725 N 0.77 0.35 -0.28 4.18 0.02 -0.69 -3.05 113.55 114.85 2ayy h SER 725 Ca 0.13 -0.26 -0.09 0.00 -0.84 0.00 0.00 61.79 60.73 2ayy h SER 725 Cb 0.64 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 2ayy h SER 725 CO 0.04 0.52 -0.13 0.25 -1.14 0.00 0.00 176.83 176.37 2ayy h LEU 726 N 0.16 0.69 -1.19 5.07 5.85 -0.93 -2.60 115.31 122.37 2ayy h LEU 726 Ca 0.07 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2ayy h LEU 726 Cb 0.32 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2ayy h LEU 726 CO 0.00 0.84 0.00 1.56 -0.34 0.00 0.00 178.44 180.51 2ayy h GLN 727 N 0.64 0.00 0.00 1.25 1.08 -1.22 -1.55 115.11 115.31 2ayy h GLN 727 Ca 0.11 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.28 2ayy h GLN 727 Cb 0.58 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.01 2ayy h GLN 727 CO 0.04 0.00 -0.12 0.00 -0.95 0.00 0.00 178.83 177.80 2ayy h ARG 728 N 0.00 0.00 -0.01 1.46 3.08 -1.36 -1.99 114.38 115.56 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 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2ayy h ARG 728 CO 0.00 0.12 -0.07 0.45 -1.07 0.00 0.00 179.97 179.40 2ayy n SER 729 N -3.39 1.01 0.00 7.04 2.88 -0.58 -4.89 113.62 115.69 2ayy n SER 729 Ca -0.01 -1.15 0.00 0.00 -1.33 0.00 0.00 58.87 56.38 2ayy n SER 729 Cb 0.30 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 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 1.20 0.64 3.72 0.46 0.00 -0.75 -5.05 105.19 105.42 2ayy n GLY 730 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.40 4.72 -0.18 -0.61 1.01 -1.24 -4.31 121.20 118.19 2ayy s ILE 731 Ca 0.00 1.92 -0.11 0.00 0.00 0.00 0.00 60.65 62.45 2ayy s ILE 731 Cb 0.00 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 38.17 2ayy s ILE 731 CO 0.00 0.27 0.20 0.54 0.00 0.00 0.00 174.94 175.95 2ayy s VAL 732 N 0.38 5.37 -0.09 2.92 0.11 0.05 -3.71 120.40 125.43 2ayy s VAL 732 Ca 0.46 0.34 -0.13 0.00 -2.93 0.00 0.00 61.98 59.72 2ayy s VAL 732 Cb -0.21 -3.53 -0.05 0.00 -1.53 0.00 0.00 36.38 31.06 2ayy s VAL 732 CO 0.27 0.44 0.30 0.68 -3.33 0.00 0.00 175.10 173.46 2ayy s VAL 733 N 0.28 5.25 -0.03 2.04 -7.23 -1.26 -1.57 120.40 117.87 2ayy s VAL 733 Ca 0.12 0.58 0.04 0.00 -1.81 0.00 0.00 61.98 60.91 2ayy s VAL 733 Cb -0.12 -3.61 -0.00 0.00 0.56 0.00 0.00 36.38 33.21 2ayy s VAL 733 CO 0.01 0.51 -0.14 -0.89 -0.31 0.00 0.00 175.10 174.28 2ayy s THR 734 N -0.41 1.16 -0.20 5.32 2.01 -0.03 -4.96 115.64 118.54 2ayy s THR 734 Ca 0.19 -0.57 -0.29 0.00 0.31 0.00 0.00 61.69 61.33 2ayy s THR 734 Cb -0.14 -1.01 -0.03 0.00 0.01 0.00 0.00 72.50 71.33 2ayy s THR 734 CO 0.07 0.34 1.65 -0.89 -0.69 0.00 0.00 174.62 175.10 2ayy s THR 735 N 0.09 3.65 -0.31 -0.82 2.01 -1.26 -0.80 115.64 118.20 2ayy s THR 735 Ca -0.03 0.74 -0.28 0.00 0.31 0.00 0.00 61.69 62.43 2ayy s THR 735 Cb -0.10 -3.64 0.01 0.00 0.01 0.00 0.00 72.50 68.78 2ayy s THR 735 CO 0.01 -0.25 1.01 -0.47 -0.69 0.00 0.00 174.62 174.24 2ayy s TYR 736 N 5.16 3.18 0.00 4.92 5.04 -0.37 -4.87 117.35 130.41 2ayy s TYR 736 Ca 0.73 1.15 0.00 0.00 -2.44 0.00 0.00 57.07 56.51 2ayy s TYR 736 Cb -0.26 -3.55 0.00 0.00 0.35 0.00 0.00 41.96 38.49 2ayy s TYR 736 CO 0.30 -0.70 0.00 -0.85 -1.34 0.00 0.00 175.55 172.96 2ayy n GLU 737 N 6.68 0.00 -2.81 4.97 0.28 -1.26 -4.70 120.64 123.80 2ayy n GLU 737 Ca 0.10 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.68 2ayy n GLU 737 Cb 0.47 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.35 2ayy n GLU 737 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2ayy n GLY 738 N 3.40 5.40 3.48 -1.84 0.00 -1.26 -4.98 105.19 109.39 2ayy n GLY 738 Ca 0.00 -2.58 -0.23 0.00 0.00 0.00 0.00 46.02 43.21 2ayy n GLY 738 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ayy s GLN 739 N -2.87 1.68 0.12 1.61 -1.52 -1.26 -5.14 119.66 112.27 2ayy s GLN 739 Ca 0.35 -1.85 -0.08 0.00 -1.95 0.00 0.00 55.36 51.82 2ayy s GLN 739 Cb 0.09 -1.42 -0.06 0.00 -0.22 0.00 0.00 33.01 31.40 2ayy s GLN 739 CO 0.03 0.09 0.41 -1.21 -0.25 0.00 0.00 175.29 174.37 2ayy s GLU 740 N -3.67 3.73 0.42 2.91 8.01 -1.26 -5.07 118.70 123.77 2ayy s GLU 740 Ca 0.31 0.12 -0.23 0.00 0.01 0.00 0.00 54.97 55.17 2ayy s GLU 740 Cb 0.03 -2.91 -0.08 0.00 -4.31 0.00 0.00 34.13 26.85 2ayy s GLU 740 CO 0.14 0.50 1.10 -1.25 0.01 0.00 0.00 175.26 175.76 2ayy s PRO 741 N -2.22 3.99 -0.03 0.39 0.04 -1.26 -5.07 135.00 130.85 2ayy s PRO 741 Ca 0.37 1.62 0.05 0.00 0.04 0.00 0.00 61.00 63.08 2ayy s PRO 741 Cb -0.13 -2.48 -0.01 0.00 0.04 0.00 0.00 34.50 31.92 2ayy s PRO 741 CO 0.20 -0.31 -0.19 0.99 0.04 0.00 0.00 177.00 177.73 2ayy s THR 742 N -1.62 1.55 0.62 1.26 2.01 -1.26 -4.94 115.64 113.26 2ayy s THR 742 Ca 0.60 -0.82 0.33 0.00 0.31 0.00 0.00 61.69 62.11 2ayy s THR 742 Cb -0.25 -1.31 0.37 0.00 0.01 0.00 0.00 72.50 71.33 2ayy s THR 742 CO 0.30 0.44 2.17 1.55 -0.69 0.00 0.00 174.62 178.40 2ayy h PRO 743 N 5.89 0.00 -0.02 4.92 0.13 -1.88 -1.18 132.00 139.87 2ayy h PRO 743 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2ayy h PRO 743 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2ayy h PRO 743 CO 0.48 0.00 -0.11 0.39 -0.23 0.00 0.00 178.00 178.53 2ayy n GLU 744 N -3.54 1.39 -3.77 0.86 -0.58 -1.26 -1.80 120.64 111.94 2ayy n GLU 744 Ca -0.01 -1.18 -0.20 0.00 -0.42 0.00 0.00 57.16 55.34 2ayy n GLU 744 Cb 0.22 -1.27 -0.02 0.00 -0.57 0.00 0.00 31.44 29.80 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 -1.48 6.02 0.09 1.62 1.01 -0.45 -4.78 116.67 118.70 2ayy s ASP 745 Ca 0.16 -0.11 0.09 0.00 0.71 0.00 0.00 52.55 53.40 2ayy s ASP 745 Cb 0.13 -1.49 -0.03 0.00 1.01 0.00 0.00 42.92 42.53 2ayy s ASP 745 CO 0.26 -0.23 -0.25 0.68 0.21 0.00 0.00 175.17 175.84 2ayy s VAL 746 N -2.10 2.03 -0.43 -1.27 -7.23 -1.25 -1.92 120.40 108.24 2ayy s VAL 746 Ca 0.39 -1.52 -0.10 0.00 -1.81 0.00 0.00 61.98 58.94 2ayy s VAL 746 Cb -0.09 -1.78 0.08 0.00 0.56 0.00 0.00 36.38 35.15 2ayy s VAL 746 CO 0.29 0.17 0.28 -0.22 -0.31 0.00 0.00 175.10 175.31 2ayy s LEU 747 N -1.64 5.24 -0.50 1.32 0.20 -0.92 -1.06 118.68 121.32 2ayy s LEU 747 Ca 0.11 -1.46 -0.20 0.00 0.69 0.00 0.00 54.13 53.27 2ayy s LEU 747 Cb -0.10 -2.03 0.05 0.00 -0.43 0.00 0.00 46.19 43.68 2ayy s LEU 747 CO 0.04 -0.56 0.66 -0.63 -0.29 0.00 0.00 176.35 175.58 2ayy s ILE 748 N 1.47 4.81 0.06 6.68 -1.09 0.05 -0.76 121.20 132.42 2ayy s ILE 748 Ca 0.03 -0.26 0.08 0.00 -2.23 0.00 0.00 60.65 58.27 2ayy s ILE 748 Cb -0.23 -4.30 -0.03 0.00 -1.58 0.00 0.00 42.46 36.32 2ayy s ILE 748 CO 0.03 -0.79 -0.22 -0.89 -1.23 0.00 0.00 174.94 171.84 2ayy s THR 749 N 2.82 1.75 0.05 2.92 2.01 0.07 -0.49 115.64 124.77 2ayy s THR 749 Ca 0.18 -1.33 0.02 0.00 0.31 0.00 0.00 61.69 60.88 2ayy s THR 749 Cb -0.17 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 2ayy s THR 749 CO 0.14 0.15 -0.08 -0.62 -0.69 0.00 0.00 174.62 173.52 2ayy s ASP 750 N -1.40 0.93 0.15 3.53 2.15 -1.07 -0.81 116.67 120.15 2ayy s ASP 750 Ca 0.08 -0.57 0.00 0.00 0.43 0.00 0.00 52.55 52.49 2ayy s ASP 750 Cb -0.09 0.03 0.00 0.00 -0.30 0.00 0.00 42.92 42.56 2ayy s ASP 750 CO 0.03 -0.20 0.00 -0.62 -0.17 0.00 0.00 175.17 174.20 2ayy n GLU 751 N 1.39 0.00 -3.22 4.34 1.02 -0.97 -4.28 120.64 118.92 2ayy n GLU 751 Ca -0.22 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.51 2ayy n GLU 751 Cb 0.55 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.89 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 5.03 -0.15 2.62 1.01 -1.26 -4.85 120.40 122.80 2ayy s VAL 752 Ca 0.00 0.71 -0.11 0.00 0.00 0.00 0.00 61.98 62.58 2ayy s VAL 752 Cb 0.00 -3.90 0.04 0.00 0.00 0.00 0.00 36.38 32.53 2ayy s VAL 752 CO 0.00 -0.05 0.37 0.68 0.00 0.00 0.00 175.10 176.11 2ayy s VAL 753 N 2.39 -0.01 -1.21 2.92 -7.23 -1.26 -5.08 120.40 110.92 2ayy s VAL 753 Ca 0.21 0.04 -0.12 0.00 -1.81 0.00 0.00 61.98 60.29 2ayy s VAL 753 Cb -0.15 -0.53 0.18 0.00 0.56 0.00 0.00 36.38 36.44 2ayy s VAL 753 CO 0.11 0.02 1.46 -1.54 -0.31 0.00 0.00 175.10 174.84 2ayy n SER 754 N 3.38 5.26 -4.17 4.85 3.41 -1.26 -4.72 113.62 120.37 2ayy n SER 754 Ca -0.17 -3.01 -0.23 0.00 -0.26 0.00 0.00 58.87 55.20 2ayy n SER 754 Cb 0.56 -1.53 -0.14 0.00 -0.26 0.00 0.00 64.21 62.84 2ayy n SER 754 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2ayy s LYS 755 N 1.04 1.20 -0.28 4.33 -0.14 -1.26 -5.10 119.74 119.53 2ayy s LYS 755 Ca 0.41 -0.73 -0.02 0.00 -1.36 0.00 0.00 55.97 54.27 2ayy s LYS 755 Cb -0.02 -1.22 0.09 0.00 -1.68 0.00 0.00 37.83 35.00 2ayy s LYS 755 CO -0.00 0.32 0.09 0.15 -0.76 0.00 0.00 175.35 175.15 2ayy s LYS 756 N -0.85 0.59 -0.28 1.68 -0.14 -1.26 -4.83 119.74 114.66 2ayy s LYS 756 Ca 0.05 -0.83 -0.29 0.00 -1.36 0.00 0.00 55.97 53.54 2ayy s LYS 756 Cb -0.07 -1.83 -0.02 0.00 -1.68 0.00 0.00 37.83 34.22 2ayy s LYS 756 CO 0.01 -0.93 1.70 -0.46 -0.76 0.00 0.00 175.35 174.91 2ayy s TRP 757 N 1.77 1.96 -1.27 3.18 -0.11 -1.26 -4.90 118.94 118.30 2ayy s TRP 757 Ca 0.07 0.57 -0.07 0.00 1.22 0.00 0.00 56.10 57.90 2ayy s TRP 757 Cb -0.17 -4.08 0.16 0.00 -1.50 0.00 0.00 33.47 27.88 2ayy s TRP 757 CO -0.24 -2.93 2.08 1.04 -4.62 0.00 0.00 176.95 172.27 2ayy n GLN 758 N 8.06 4.23 0.00 5.86 3.00 -1.26 -4.84 117.38 132.43 2ayy n GLN 758 Ca 0.21 -3.63 0.00 0.00 -0.01 0.00 0.00 57.00 53.57 2ayy n GLN 758 Cb 0.46 -2.74 0.00 0.00 0.00 0.00 0.00 30.24 27.96 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 2.05 4.67 0.17 1.08 0.00 -1.26 -4.35 105.19 107.55 2ayy n GLY 759 Ca 0.50 -0.51 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.37 -3.09 1.61 9.65 -0.65 -3.45 114.38 118.07 2ayy h ARG 760 Ca 0.00 0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.88 2ayy h ARG 760 Cb 0.00 0.08 -0.12 0.00 -1.39 0.00 0.00 29.97 28.54 2ayy h ARG 760 CO 0.00 -0.25 0.14 0.00 2.80 0.00 0.00 179.97 182.67 2ayy s ALA 761 N -3.69 -1.43 -0.02 2.80 0.00 -1.24 -4.98 121.76 113.21 2ayy s ALA 761 Ca -0.06 0.35 0.06 0.00 0.00 0.00 0.00 51.96 52.31 2ayy s ALA 761 Cb 0.01 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 23.94 2ayy s ALA 761 CO 0.17 -0.74 -0.20 0.08 0.00 0.00 0.00 175.76 175.07 2ayy s VAL 762 N -3.77 2.60 -0.40 0.00 1.01 -0.97 -2.16 120.40 116.72 2ayy s VAL 762 Ca 0.02 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.03 2ayy s VAL 762 Cb -0.00 -2.00 0.12 0.00 0.00 0.00 0.00 36.38 34.49 2ayy s VAL 762 CO -0.12 0.52 0.15 -0.69 0.00 0.00 0.00 175.10 174.96 2ayy s VAL 763 N -0.73 1.88 -0.16 2.92 1.01 0.06 -0.60 120.40 124.78 2ayy s VAL 763 Ca 0.12 -2.45 -0.05 0.00 0.00 0.00 0.00 61.98 59.59 2ayy s VAL 763 Cb -0.10 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 2ayy s VAL 763 CO 0.01 -0.73 0.02 -0.89 0.00 0.00 0.00 175.10 173.50 2ayy s THR 764 N 0.62 4.38 -0.24 3.92 2.01 -0.05 -0.75 115.64 125.53 2ayy s THR 764 Ca 0.14 -0.18 -0.06 0.00 0.31 0.00 0.00 61.69 61.89 2ayy s THR 764 Cb -0.22 -2.94 -0.02 0.00 0.01 0.00 0.00 72.50 69.33 2ayy s THR 764 CO -0.07 0.49 0.04 -0.36 -0.69 0.00 0.00 174.62 174.03 2ayy s PHE 765 N 0.24 3.06 0.33 4.92 0.08 0.01 -1.91 117.98 124.70 2ayy s PHE 765 Ca 0.01 -0.54 0.06 0.00 0.12 0.00 0.00 56.93 56.58 2ayy s PHE 765 Cb -0.13 -2.20 -0.07 0.00 -0.57 0.00 0.00 43.02 40.05 2ayy s PHE 765 CO 0.01 -0.40 -0.01 0.00 -0.10 0.00 0.00 175.22 174.72 2ayy n ARG 767 N -0.74 0.00 0.00 0.00 5.12 -1.26 -1.03 116.66 118.75 2ayy n ARG 767 Ca -0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 2ayy n ARG 767 Cb 0.65 -0.27 0.00 0.00 -1.16 0.00 0.00 32.46 31.68 2ayy n ARG 767 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2ayy n ARG 768 N -1.86 3.77 -2.90 5.56 5.12 -1.26 -5.03 116.66 120.06 2ayy n ARG 768 Ca 0.00 0.00 -0.44 0.00 -1.93 0.00 0.00 57.85 55.48 2ayy n ARG 768 Cb 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.29 2ayy n ARG 768 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2ayy s HIS 769 N 1.96 3.31 -0.09 -1.55 5.04 -1.26 -4.98 115.29 117.72 2ayy s HIS 769 Ca 0.00 -1.85 -0.12 0.00 -1.54 0.00 0.00 55.06 51.55 2ayy s HIS 769 Cb 0.00 -4.35 -0.05 0.00 0.04 0.00 0.00 32.58 28.22 2ayy s HIS 769 CO 0.00 -1.47 0.30 0.42 -2.34 0.00 0.00 174.74 171.65 2ayy s ILE 770 N 2.21 5.25 -0.01 0.89 1.09 -1.26 -4.98 121.20 124.39 2ayy s ILE 770 Ca 0.41 0.57 0.00 0.00 -1.10 0.00 0.00 60.65 60.53 2ayy s ILE 770 Cb -0.03 -3.60 0.02 0.00 -1.06 0.00 0.00 42.46 37.79 2ayy s ILE 770 CO -0.02 0.53 1.05 0.61 -0.10 0.00 0.00 174.94 177.00 2ayy n GLY 771 N 2.38 2.08 3.89 6.18 0.00 -1.26 -4.84 105.19 113.63 2ayy n GLY 771 Ca -0.15 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 2ayy n GLY 771 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2ayy s ILE 772 N -0.10 5.11 -0.52 -0.61 2.07 -1.26 -5.00 121.20 120.89 2ayy s ILE 772 Ca 0.02 0.11 -0.26 0.00 -1.41 0.00 0.00 60.65 59.11 2ayy s ILE 772 Cb 0.01 -3.63 -0.07 0.00 0.13 0.00 0.00 42.46 38.90 2ayy s ILE 772 CO 0.00 -0.02 2.39 -2.84 -1.91 0.00 0.00 174.94 172.57 2ayy s PRO 773 N -2.78 2.08 -1.32 3.50 0.02 -1.26 -4.86 135.00 130.38 2ayy s PRO 773 Ca 0.42 1.32 -0.15 0.00 0.02 0.00 0.00 61.00 62.61 2ayy s PRO 773 Cb -0.12 -4.59 -0.01 0.00 0.02 0.00 0.00 34.50 29.80 2ayy s PRO 773 CO 0.24 -3.35 2.22 1.47 -0.33 0.00 0.00 177.00 177.26 2ayy n LEU 774 N 16.01 6.41 0.00 -5.54 -0.00 -1.26 -4.84 117.00 127.79 2ayy n LEU 774 Ca 0.37 -3.88 0.00 0.00 -0.00 0.00 0.00 56.01 52.50 2ayy n LEU 774 Cb 0.54 -1.53 0.00 0.00 -0.00 0.00 0.00 43.42 42.43 2ayy n LEU 774 CO 0.70 0.88 0.00 1.21 -0.00 0.00 0.00 177.39 180.17 2ayy n GLU 775 N 6.06 0.00 -1.99 1.47 2.13 -1.24 -4.84 120.64 122.23 2ayy n GLU 775 Ca 0.53 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 58.20 2ayy n GLU 775 Cb 0.38 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.05 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 -1.72 -3.18 5.31 4.76 -1.26 -4.89 118.16 131.18 2ayy n LYS 776 Ca 0.00 0.82 0.05 0.00 -2.87 0.00 0.00 58.31 56.31 2ayy n LYS 776 Cb 0.00 -5.30 -0.02 0.00 -1.84 0.00 0.00 35.03 27.87 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 -2.57 -3.21 -0.69 7.82 0.00 -1.26 -5.10 121.76 116.74 2ayy s ALA 777 Ca 0.00 1.57 -0.27 0.00 0.00 0.00 0.00 51.96 53.26 2ayy s ALA 777 Cb 0.00 -2.40 -0.13 0.00 0.00 0.00 0.00 23.12 20.58 2ayy s ALA 777 CO 0.00 -1.37 2.49 -2.30 0.00 0.00 0.00 175.76 174.59 2ayy n PRO 778 N 5.38 0.63 0.00 0.00 -0.02 -1.26 -2.28 135.00 137.45 2ayy n PRO 778 Ca -0.07 -0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 2ayy n PRO 778 Cb 0.53 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 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 6.21 1.63 3.24 -1.23 0.00 -1.26 -5.10 105.19 108.68 2ayy n GLY 779 Ca 0.48 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 46.04 2ayy n GLY 779 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ayy s GLU 780 N 0.00 3.21 0.01 1.61 -1.05 -0.97 -2.28 118.70 119.23 2ayy s GLU 780 Ca 0.00 -0.73 0.00 0.00 -0.15 0.00 0.00 54.97 54.09 2ayy s GLU 780 Cb 0.00 -2.73 -0.04 0.00 -0.44 0.00 0.00 34.13 30.92 2ayy s GLU 780 CO 0.00 -0.12 0.08 -1.58 0.95 0.00 0.00 175.26 174.59 2ayy s TRP 781 N 1.16 3.26 -0.02 4.83 0.52 0.23 -3.70 118.94 125.22 2ayy s TRP 781 Ca 0.01 0.18 -0.04 0.00 0.02 0.00 0.00 56.10 56.27 2ayy s TRP 781 Cb -0.14 -1.72 0.00 0.00 -1.15 0.00 0.00 33.47 30.47 2ayy s TRP 781 CO -0.05 0.54 0.08 0.54 0.02 0.00 0.00 176.95 178.09 2ayy s VAL 782 N -1.22 0.03 0.04 4.03 0.11 -1.26 -0.87 120.40 121.27 2ayy s VAL 782 Ca 0.24 -0.27 -0.22 0.00 -2.93 0.00 0.00 61.98 58.79 2ayy s VAL 782 Cb -0.12 -0.22 0.05 0.00 -1.53 0.00 0.00 36.38 34.56 2ayy s VAL 782 CO 0.15 -0.15 0.51 -1.00 -3.33 0.00 0.00 175.10 171.27 2ayy s HIS 783 N -0.46 -0.40 0.00 1.54 3.76 -0.80 -4.93 115.29 113.99 2ayy s HIS 783 Ca -0.05 0.46 -0.30 0.00 -0.15 0.00 0.00 55.06 55.01 2ayy s HIS 783 Cb -0.03 0.32 -0.07 0.00 1.11 0.00 0.00 32.58 33.90 2ayy s HIS 783 CO 0.00 -0.63 1.76 0.45 -0.85 0.00 0.00 174.74 175.47 2ayy s SER 784 N -1.93 6.58 -0.47 1.40 0.15 -1.25 -1.26 113.70 116.91 2ayy s SER 784 Ca -0.06 2.44 -0.27 0.00 0.70 0.00 0.00 55.95 58.76 2ayy s SER 784 Cb -0.01 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.74 2ayy s SER 784 CO -0.01 -0.96 1.82 0.54 1.20 0.00 0.00 173.24 175.82 2ayy s VAL 785 N 3.87 3.44 0.00 4.45 0.11 -0.20 -4.71 120.40 127.36 2ayy s VAL 785 Ca 0.78 0.37 0.00 0.00 -2.93 0.00 0.00 61.98 60.20 2ayy s VAL 785 Cb -0.38 -3.81 0.00 0.00 -1.53 0.00 0.00 36.38 30.67 2ayy s VAL 785 CO 0.34 -0.66 0.00 0.00 -3.33 0.00 0.00 175.10 171.45 2ayy n ALA 786 N 11.51 0.00 -1.65 1.54 0.00 -1.26 -4.96 120.51 125.69 2ayy n ALA 786 Ca 0.22 0.00 -0.49 0.00 0.00 0.00 0.00 53.44 53.17 2ayy n ALA 786 Cb 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.90 2ayy n ALA 786 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ayy n ALA 787 N -3.00 0.92 -0.55 0.00 0.00 -1.26 -4.82 120.51 111.80 2ayy n ALA 787 Ca 0.00 0.20 -0.16 0.00 0.00 0.00 0.00 53.44 53.48 2ayy n ALA 787 Cb 0.00 -2.53 -0.01 0.00 0.00 0.00 0.00 19.45 16.91 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 6.97 1.53 0.00 0.00 -0.02 -1.26 -2.99 135.00 139.23 2ayy n PRO 788 Ca 0.26 -1.21 0.00 0.00 -2.02 0.00 0.00 63.50 60.53 2ayy n PRO 788 Cb 0.29 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2ayy n PRO 788 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2ayy n HIS 789 N 4.45 0.00 0.02 6.00 1.44 -1.26 -4.87 115.22 120.99 2ayy n HIS 789 Ca 0.33 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.91 2ayy n HIS 789 Cb 0.10 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.12 2ayy n HIS 789 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2ayy h GLU 790 N 0.00 -0.04 0.07 -1.40 4.39 -1.93 -2.99 114.58 112.70 2ayy h GLU 790 Ca 0.00 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.72 2ayy h GLU 790 Cb 0.00 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.61 2ayy h GLU 790 CO 0.00 0.31 -0.50 -0.07 -1.16 0.00 0.00 179.01 177.59 2ayy h LEU 791 N -0.38 -1.52 -0.32 1.33 4.07 -1.89 0.73 115.31 117.32 2ayy h LEU 791 Ca -0.00 0.17 -0.19 0.00 0.08 0.00 0.00 57.88 57.94 2ayy h LEU 791 Cb 0.36 0.57 -0.02 0.00 1.08 0.00 0.00 40.66 42.65 2ayy h LEU 791 CO 0.01 -0.53 -0.85 1.55 -1.08 0.00 0.00 178.44 177.54 2ayy h PRO 792 N -0.70 0.11 -0.17 1.13 0.14 -1.92 -2.58 132.00 128.01 2ayy h PRO 792 Ca 0.01 -0.12 -0.15 0.00 0.14 0.00 0.00 66.00 65.87 2ayy h PRO 792 Cb 0.73 0.04 0.00 0.00 0.14 0.00 0.00 31.00 31.91 2ayy h PRO 792 CO -0.31 0.89 -0.49 0.00 0.14 0.00 0.00 178.00 178.23 2ayy h ALA 793 N 1.06 0.29 -0.72 -0.56 0.00 -1.39 -1.87 119.26 116.06 2ayy h ALA 793 Ca -0.03 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 2ayy h ALA 793 Cb 1.48 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 2ayy h ALA 793 CO 0.12 0.46 0.19 -0.07 0.00 0.00 0.00 179.25 179.95 2ayy h LEU 794 N 0.30 1.08 -0.73 0.00 4.07 -0.88 -1.39 115.31 117.75 2ayy h LEU 794 Ca -0.01 -0.23 -0.05 0.00 0.08 0.00 0.00 57.88 57.67 2ayy h LEU 794 Cb 1.12 -0.29 -0.03 0.00 1.08 0.00 0.00 40.66 42.54 2ayy h LEU 794 CO 0.11 1.03 0.25 -0.07 -1.08 0.00 0.00 178.44 178.67 2ayy h LEU 795 N 1.09 1.05 -1.25 1.67 3.38 -1.43 0.63 115.31 120.45 2ayy h LEU 795 Ca 0.23 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 2ayy h LEU 795 Cb 0.35 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2ayy h LEU 795 CO -0.00 0.97 -0.01 0.00 0.09 0.00 0.00 178.44 179.48 2ayy h ALA 796 N 1.12 1.39 -0.13 1.53 0.00 -0.97 -0.22 119.26 121.98 2ayy h ALA 796 Ca 0.24 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2ayy h ALA 796 Cb 0.28 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2ayy h ALA 796 CO -0.01 0.43 -0.26 -0.09 0.00 0.00 0.00 179.25 179.32 2ayy h ARG 797 N 0.48 0.41 -0.43 0.00 2.43 -0.69 0.17 114.38 116.74 2ayy h ARG 797 Ca 0.10 -0.26 -0.00 0.00 -0.81 0.00 0.00 59.98 59.01 2ayy h ARG 797 Cb 0.33 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 2ayy h ARG 797 CO 0.01 0.86 0.26 0.82 -1.51 0.00 0.00 179.97 180.42 2ayy h ILE 798 N 0.01 1.13 0.00 1.20 2.04 -0.58 -1.57 117.51 119.75 2ayy h ILE 798 Ca 0.01 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.57 2ayy h ILE 798 Cb 0.85 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2ayy h ILE 798 CO 0.06 0.13 0.00 -1.22 0.00 0.00 0.00 178.15 177.12 2ayy n TYR 799 N -4.75 0.00 -3.82 1.37 4.02 -0.12 -4.88 117.16 108.98 2ayy n TYR 799 Ca 0.01 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.64 2ayy n TYR 799 Cb 0.05 -0.19 0.03 0.00 -0.02 0.00 0.00 39.34 39.20 2ayy n TYR 799 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 2ayy n LEU 800 N -1.19 -2.79 0.33 7.72 -0.00 -0.59 -4.92 117.00 115.57 2ayy n LEU 800 Ca 0.15 -0.80 -0.13 0.00 -0.00 0.00 0.00 56.01 55.23 2ayy n LEU 800 Cb 0.17 -2.60 -0.06 0.00 -0.00 0.00 0.00 43.42 40.93 2ayy n LEU 800 CO 0.19 0.45 0.52 0.40 -0.00 0.00 0.00 177.39 178.94 2ayy h ILE 801 N -2.00 0.00 0.00 1.96 1.08 -0.93 -3.49 117.51 114.13 2ayy h ILE 801 Ca -0.60 -0.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.87 2ayy h ILE 801 Cb 1.37 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.12 2ayy h ILE 801 CO 0.62 0.00 0.00 1.21 -0.69 0.00 0.00 178.15 179.29 2ayy n GLU 802 N -4.28 0.00 -1.28 2.37 2.13 -1.26 -5.02 120.64 113.30 2ayy n GLU 802 Ca -0.11 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.34 2ayy n GLU 802 Cb 0.33 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.02 2ayy n GLU 802 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 2ayy n MET 803 N 0.00 2.46 -3.32 5.31 1.56 -1.26 -4.92 117.12 116.95 2ayy n MET 803 Ca 0.00 -2.07 -0.34 0.00 -0.27 0.00 0.00 57.70 55.02 2ayy n MET 803 Cb 0.00 -2.92 -0.06 0.00 2.15 0.00 0.00 33.22 32.39 2ayy n MET 803 CO 0.00 0.00 0.00 -1.83 -0.73 0.00 0.00 175.97 173.41 2ayy s GLU 804 N 3.58 3.96 -0.06 2.12 4.04 -1.26 -4.62 118.70 126.47 2ayy s GLU 804 Ca 0.53 0.49 0.03 0.00 0.04 0.00 0.00 54.97 56.06 2ayy s GLU 804 Cb 0.14 -2.78 -0.02 0.00 0.02 0.00 0.00 34.13 31.49 2ayy s GLU 804 CO -0.01 0.38 -0.14 -1.12 -1.84 0.00 0.00 175.26 172.53 2ayy s SER 805 N -1.97 4.07 0.54 0.83 0.01 -1.26 -5.03 113.70 110.88 2ayy s SER 805 Ca 0.43 -0.20 -0.17 0.00 1.31 0.00 0.00 55.95 57.32 2ayy s SER 805 Cb -0.13 -0.96 -0.06 0.00 0.21 0.00 0.00 66.02 65.07 2ayy s SER 805 CO 0.20 0.33 1.02 -0.62 0.41 0.00 0.00 173.24 174.57 2ayy s ASP 806 N -0.61 6.26 -0.44 2.44 2.15 -1.26 -5.01 116.67 120.20 2ayy s ASP 806 Ca 0.09 1.73 -0.25 0.00 0.43 0.00 0.00 52.55 54.56 2ayy s ASP 806 Cb -0.11 -2.53 0.02 0.00 -0.30 0.00 0.00 42.92 40.00 2ayy s ASP 806 CO 0.01 -0.84 0.88 -0.62 -0.17 0.00 0.00 175.17 174.43 2ayy s ASP 807 N -2.73 6.49 -0.59 -0.34 2.15 -1.26 -4.99 116.67 115.41 2ayy s ASP 807 Ca 0.62 0.10 -0.27 0.00 0.43 0.00 0.00 52.55 53.44 2ayy s ASP 807 Cb -0.13 -2.43 -0.02 0.00 -0.30 0.00 0.00 42.92 40.04 2ayy s ASP 807 CO 0.31 -0.98 1.82 -2.84 -0.17 0.00 0.00 175.17 173.31 2ayy s PRO 808 N 3.56 2.73 -1.28 4.34 0.02 -1.26 -4.90 135.00 138.21 2ayy s PRO 808 Ca 0.35 0.66 -0.17 0.00 0.02 0.00 0.00 61.00 61.85 2ayy s PRO 808 Cb -0.11 -4.35 0.01 0.00 0.02 0.00 0.00 34.50 30.07 2ayy s PRO 808 CO 0.24 -2.61 1.98 0.00 -0.33 0.00 0.00 177.00 176.28 2ayy n ALA 809 N 12.33 4.12 -2.43 -1.55 0.00 -1.26 -4.87 120.51 126.85 2ayy n ALA 809 Ca 0.20 -3.71 -0.43 0.00 0.00 0.00 0.00 53.44 49.50 2ayy n ALA 809 Cb 0.51 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.39 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 8.02 4.83 -3.07 0.00 5.15 -1.26 -4.69 115.26 124.25 2ayy n ASN 810 Ca 0.50 -2.97 0.01 0.00 -0.60 0.00 0.00 54.58 51.52 2ayy n ASN 810 Cb 0.43 -1.60 -0.00 0.00 -0.53 0.00 0.00 39.78 38.07 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 2.18 -3.05 -0.48 5.20 0.00 -1.26 -5.10 121.76 119.25 2ayy s ALA 811 Ca 0.45 0.58 0.03 0.00 0.00 0.00 0.00 51.96 53.02 2ayy s ALA 811 Cb 0.06 -2.83 0.16 0.00 0.00 0.00 0.00 23.12 20.51 2ayy s ALA 811 CO 0.00 -2.30 0.34 -1.17 0.00 0.00 0.00 175.76 172.63 2ayy s LEU 812 N 1.91 2.43 0.52 0.00 2.96 -1.26 -5.12 118.68 120.11 2ayy s LEU 812 Ca 0.15 -3.06 -0.18 0.00 -0.22 0.00 0.00 54.13 50.82 2ayy s LEU 812 Cb -0.02 -0.84 -0.07 0.00 0.50 0.00 0.00 46.19 45.76 2ayy s LEU 812 CO -0.10 -0.19 1.01 -2.16 -1.32 0.00 0.00 176.35 173.60 2ayy s PRO 813 N -0.12 3.79 0.00 0.98 0.04 -1.26 -4.94 135.00 133.48 2ayy s PRO 813 Ca 0.26 1.14 0.20 0.00 0.04 0.00 0.00 61.00 62.64 2ayy s PRO 813 Cb -0.07 -2.11 1.19 0.00 0.04 0.00 0.00 34.50 33.55 2ayy s PRO 813 CO -0.13 -0.42 1.77 -1.13 0.04 0.00 0.00 177.00 177.13 2ayy n SER 814 N -1.43 0.07 -1.16 6.66 3.41 -1.26 -5.01 113.62 114.91 2ayy n SER 814 Ca 0.08 -1.38 0.08 0.00 -0.26 0.00 0.00 58.87 57.38 2ayy n SER 814 Cb 0.53 -0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 2ayy n SER 814 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2ayy n THR 815 N -0.76 0.00 1.09 6.66 -1.04 -1.26 -5.39 114.28 113.58 2ayy n THR 815 Ca 0.15 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.29 2ayy n THR 815 Cb 0.08 -0.19 0.17 0.00 -1.82 0.00 0.00 70.33 68.57 2ayy n THR 815 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76