#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ayy s GLY 697 N 0.00 1.61 -0.87 -5.12 0.00 -1.26 -5.04 107.32 96.64 2ayy s GLY 697 Ca 0.00 -1.68 -0.00 0.00 0.00 0.00 0.00 44.72 43.03 2ayy s GLY 697 CO 0.00 0.59 0.80 0.61 0.00 0.00 0.00 173.10 175.10 2ayy n GLY 698 N 4.47 4.24 3.76 0.20 0.00 -1.26 -5.07 105.19 111.53 2ayy n GLY 698 Ca -0.15 -2.62 -0.38 0.00 0.00 0.00 0.00 46.02 42.87 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 -0.60 5.89 0.18 1.61 0.01 -1.26 -4.94 113.70 114.59 2ayy s SER 699 Ca 0.29 2.58 -0.31 0.00 1.31 0.00 0.00 55.95 59.82 2ayy s SER 699 Cb -0.04 -2.63 -0.09 0.00 0.21 0.00 0.00 66.02 63.47 2ayy s SER 699 CO -0.11 -1.13 1.43 -0.83 0.41 0.00 0.00 173.24 173.02 2ayy s GLY 700 N -1.03 2.04 0.03 3.44 0.00 -1.26 -5.02 107.32 105.53 2ayy s GLY 700 Ca 0.64 1.24 0.07 0.00 0.00 0.00 0.00 44.72 46.66 2ayy s GLY 700 CO 0.44 2.36 -0.19 0.54 0.00 0.00 0.00 173.10 176.24 2ayy s VAL 701 N 0.66 1.53 0.17 1.40 0.11 -1.26 -5.15 120.40 117.87 2ayy s VAL 701 Ca 0.63 -1.10 -0.06 0.00 -2.93 0.00 0.00 61.98 58.52 2ayy s VAL 701 Cb -0.40 -1.33 -0.02 0.00 -1.53 0.00 0.00 36.38 33.10 2ayy s VAL 701 CO 0.35 0.20 0.23 -1.83 -3.33 0.00 0.00 175.10 170.72 2ayy s GLU 702 N -1.06 1.17 -0.37 1.54 4.04 -1.26 -5.13 118.70 117.62 2ayy s GLU 702 Ca 0.06 -1.34 0.04 0.00 0.04 0.00 0.00 54.97 53.78 2ayy s GLU 702 Cb -0.08 0.34 0.16 0.00 0.02 0.00 0.00 34.13 34.57 2ayy s GLU 702 CO 0.01 -0.41 0.44 0.20 -1.84 0.00 0.00 175.26 173.67 2ayy s GLY 703 N -3.03 -0.39 0.06 -3.83 0.00 -1.26 -5.13 107.32 93.74 2ayy s GLY 703 Ca 0.24 -0.56 -0.30 0.00 0.00 0.00 0.00 44.72 44.10 2ayy s GLY 703 CO 0.04 3.00 1.02 1.08 0.00 0.00 0.00 173.10 178.24 2ayy s LEU 704 N 1.65 4.42 -0.11 0.66 1.43 -1.26 -5.04 118.68 120.43 2ayy s LEU 704 Ca 0.16 1.79 -0.02 0.00 -1.03 0.00 0.00 54.13 55.03 2ayy s LEU 704 Cb -0.12 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 2ayy s LEU 704 CO -0.07 -0.23 -0.03 -0.44 0.23 0.00 0.00 176.35 175.81 2ayy s SER 705 N 0.62 4.97 -0.15 2.29 0.01 -1.26 -5.11 113.70 115.07 2ayy s SER 705 Ca 0.51 0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.80 2ayy s SER 705 Cb -0.24 -1.51 0.00 0.00 0.21 0.00 0.00 66.02 64.48 2ayy s SER 705 CO 0.29 0.30 -0.18 -0.83 0.41 0.00 0.00 173.24 173.23 2ayy s GLY 706 N -0.42 1.42 0.08 3.44 0.00 -1.26 -5.09 107.32 105.50 2ayy s GLY 706 Ca 0.07 -1.09 -0.31 0.00 0.00 0.00 0.00 44.72 43.39 2ayy s GLY 706 CO 0.02 0.05 1.66 1.25 0.00 0.00 0.00 173.10 176.08 2ayy s LYS 707 N 0.89 4.19 0.25 2.90 2.20 -1.26 -4.80 119.74 124.12 2ayy s LYS 707 Ca -0.04 2.35 -0.07 0.00 -0.36 0.00 0.00 55.97 57.85 2ayy s LYS 707 Cb -0.15 -3.56 -0.06 0.00 -1.51 0.00 0.00 37.83 32.55 2ayy s LYS 707 CO -0.02 -0.73 0.54 1.03 -0.36 0.00 0.00 175.35 175.80 2ayy s ARG 708 N 2.51 3.70 -0.07 4.03 1.81 -1.26 -1.55 118.95 128.12 2ayy s ARG 708 Ca 0.74 0.11 -0.03 0.00 -1.72 0.00 0.00 55.73 54.83 2ayy s ARG 708 Cb -0.41 -2.66 0.04 0.00 -0.45 0.00 0.00 34.95 31.47 2ayy s ARG 708 CO 0.32 0.27 0.14 0.00 -0.68 0.00 0.00 175.30 175.36 2ayy s TRP 710 N 1.80 3.36 -0.23 0.00 0.52 -0.09 -0.79 118.94 123.51 2ayy s TRP 710 Ca -0.02 0.66 -0.01 0.00 0.02 0.00 0.00 56.10 56.75 2ayy s TRP 710 Cb -0.12 -2.58 0.02 0.00 -1.15 0.00 0.00 33.47 29.64 2ayy s TRP 710 CO -0.05 -0.06 -0.10 -1.17 0.02 0.00 0.00 176.95 175.59 2ayy s LEU 711 N 1.50 2.90 -0.59 2.99 2.96 0.19 -0.77 118.68 127.86 2ayy s LEU 711 Ca 0.21 -0.77 0.05 0.00 -0.22 0.00 0.00 54.13 53.39 2ayy s LEU 711 Cb -0.15 -1.62 0.35 0.00 0.50 0.00 0.00 46.19 45.27 2ayy s LEU 711 CO 0.09 -0.08 1.05 0.00 -1.32 0.00 0.00 176.35 176.08 2ayy n ALA 712 N 4.66 4.86 -2.68 5.97 0.00 0.50 -0.91 120.51 132.92 2ayy n ALA 712 Ca -0.18 -4.64 -0.38 0.00 0.00 0.00 0.00 53.44 48.25 2ayy n ALA 712 Cb 0.48 -0.81 -0.07 0.00 0.00 0.00 0.00 19.45 19.05 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 -4.65 5.21 0.13 0.00 1.01 -1.25 -2.61 120.40 118.25 2ayy s VAL 713 Ca 0.48 0.72 0.04 0.00 0.00 0.00 0.00 61.98 63.22 2ayy s VAL 713 Cb 0.30 -3.73 -0.20 0.00 0.00 0.00 0.00 36.38 32.75 2ayy s VAL 713 CO -0.15 0.27 1.30 0.03 0.00 0.00 0.00 175.10 176.55 2ayy h ARG 714 N 7.26 0.10 -6.25 2.72 2.47 -1.96 -3.42 114.38 115.30 2ayy h ARG 714 Ca -0.37 -0.15 -0.53 0.00 -1.26 0.00 0.00 59.98 57.67 2ayy h ARG 714 Cb 1.16 0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 29.48 2ayy h ARG 714 CO 0.72 1.01 1.19 -0.80 0.56 0.00 0.00 179.97 182.65 2ayy s ASN 715 N -6.86 5.84 0.12 7.04 0.01 -1.26 -4.89 114.94 114.94 2ayy s ASN 715 Ca -0.01 0.25 -0.20 0.00 -0.71 0.00 0.00 52.86 52.20 2ayy s ASN 715 Cb 0.10 -2.54 -0.05 0.00 0.41 0.00 0.00 41.25 39.16 2ayy s ASN 715 CO 0.83 -1.95 1.76 0.00 -1.51 0.00 0.00 177.10 176.23 2ayy h ALA 716 N 12.29 0.23 -0.91 0.60 0.00 -1.99 0.12 119.26 129.60 2ayy h ALA 716 Ca -0.27 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.72 2ayy h ALA 716 Cb 1.11 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 2ayy h ALA 716 CO 1.20 -0.33 0.59 0.66 0.00 0.00 0.00 179.25 181.37 2ayy h SER 717 N 0.20 0.88 0.01 0.00 4.64 -1.97 0.15 113.55 117.47 2ayy h SER 717 Ca 0.08 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2ayy h SER 717 Cb 0.02 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 2ayy h SER 717 CO -0.06 0.55 -0.00 0.25 -0.87 0.00 0.00 176.83 176.69 2ayy h LEU 718 N 0.99 -0.01 -0.55 5.97 6.46 -1.79 -2.81 115.31 123.57 2ayy h LEU 718 Ca 0.41 -0.59 0.05 0.00 -0.12 0.00 0.00 57.88 57.62 2ayy h LEU 718 Cb 0.28 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.17 2ayy h LEU 718 CO -0.17 0.59 0.28 0.00 -0.62 0.00 0.00 178.44 178.52 2ayy h GLN 720 N 0.53 0.58 0.13 0.00 -0.00 -1.07 -0.20 115.11 115.08 2ayy h GLN 720 Ca 0.24 -0.10 -0.01 0.00 -0.00 0.00 0.00 58.65 58.79 2ayy h GLN 720 Cb 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 27.55 2ayy h GLN 720 CO -0.17 0.54 -0.06 0.35 0.00 0.00 0.00 178.83 179.48 2ayy h PHE 721 N 0.48 -0.16 -0.11 3.99 3.04 -1.14 -2.04 116.94 121.00 2ayy h PHE 721 Ca 0.13 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.06 2ayy h PHE 721 Cb 0.17 0.05 -0.00 0.00 2.56 0.00 0.00 35.95 38.73 2ayy h PHE 721 CO -0.00 -0.08 0.02 -0.07 -2.02 0.00 0.00 178.31 176.16 2ayy h LEU 722 N -0.19 0.17 -0.98 0.59 3.38 -1.14 -2.44 115.31 114.69 2ayy h LEU 722 Ca -0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 2ayy h LEU 722 Cb 0.15 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 2ayy h LEU 722 CO 0.03 0.38 0.46 1.05 0.09 0.00 0.00 178.44 180.45 2ayy h GLU 723 N -0.04 1.18 -0.21 1.13 4.11 -1.01 -1.35 114.58 118.39 2ayy h GLU 723 Ca 0.03 -0.13 -0.11 0.00 0.07 0.00 0.00 59.36 59.22 2ayy h GLU 723 Cb 0.28 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2ayy h GLU 723 CO 0.00 0.86 -0.32 1.15 0.07 0.00 0.00 179.01 180.77 2ayy h THR 724 N 1.18 1.28 -0.60 -1.06 2.02 -1.34 -1.62 112.91 112.77 2ayy h THR 724 Ca 0.30 -1.39 -0.03 0.00 0.77 0.00 0.00 66.41 66.05 2ayy h THR 724 Cb 0.03 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 2ayy h THR 724 CO -0.05 0.43 0.24 0.28 0.37 0.00 0.00 175.52 176.80 2ayy h SER 725 N 0.37 0.82 0.29 4.18 0.02 -0.75 -0.51 113.55 117.97 2ayy h SER 725 Ca 0.05 -0.17 -0.18 0.00 -0.84 0.00 0.00 61.79 60.65 2ayy h SER 725 Cb 0.75 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2ayy h SER 725 CO 0.06 0.77 -0.73 -0.07 -1.14 0.00 0.00 176.83 175.72 2ayy h LEU 726 N 0.83 0.45 -1.74 5.07 3.38 -1.35 -3.00 115.31 118.96 2ayy h LEU 726 Ca 0.20 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 2ayy h LEU 726 Cb 0.20 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2ayy h LEU 726 CO -0.02 1.03 -0.17 1.56 0.09 0.00 0.00 178.44 180.93 2ayy h GLN 727 N 0.26 0.00 -0.75 1.13 4.20 -0.89 -2.14 115.11 116.92 2ayy h GLN 727 Ca -0.03 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.71 2ayy h GLN 727 Cb 1.30 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.04 2ayy h GLN 727 CO 0.12 0.17 0.49 0.00 -0.67 0.00 0.00 178.83 178.95 2ayy h ARG 728 N 0.00 0.90 0.10 1.46 3.08 -0.95 -2.97 114.38 116.01 2ayy h ARG 728 Ca -0.00 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2ayy h ARG 728 Cb 0.38 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2ayy h ARG 728 CO 0.02 0.59 -0.05 1.03 -1.07 0.00 0.00 179.97 180.50 2ayy h SER 729 N 0.93 -0.11 0.00 7.04 0.87 -1.50 -3.48 113.55 117.29 2ayy h SER 729 Ca 0.29 -0.46 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 2ayy h SER 729 Cb 0.03 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2ayy h SER 729 CO -0.08 0.48 0.00 0.61 -0.53 0.00 0.00 176.83 177.31 2ayy n GLY 730 N 0.66 0.00 3.20 5.77 0.00 -1.12 -5.16 105.19 108.54 2ayy n GLY 730 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 2ayy n GLY 730 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ayy s ILE 731 N 0.00 1.76 -0.33 -0.61 1.01 -1.20 -4.69 121.20 117.14 2ayy s ILE 731 Ca 0.00 -0.89 -0.21 0.00 0.00 0.00 0.00 60.65 59.55 2ayy s ILE 731 Cb 0.00 -1.50 -0.00 0.00 0.01 0.00 0.00 42.46 40.97 2ayy s ILE 731 CO 0.00 0.49 0.67 0.68 0.00 0.00 0.00 174.94 176.79 2ayy s VAL 732 N -0.00 4.88 -0.08 2.92 -7.23 -0.59 -3.99 120.40 116.30 2ayy s VAL 732 Ca -0.05 0.82 -0.04 0.00 -1.81 0.00 0.00 61.98 60.89 2ayy s VAL 732 Cb -0.13 -4.07 -0.04 0.00 0.56 0.00 0.00 36.38 32.70 2ayy s VAL 732 CO 0.03 -0.25 0.10 -0.69 -0.31 0.00 0.00 175.10 173.98 2ayy s VAL 733 N 2.75 5.02 -0.04 1.32 1.01 -1.26 -1.12 120.40 128.08 2ayy s VAL 733 Ca 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.16 2ayy s VAL 733 Cb -0.14 -3.21 0.03 0.00 0.00 0.00 0.00 36.38 33.06 2ayy s VAL 733 CO 0.13 0.53 0.08 -0.89 0.00 0.00 0.00 175.10 174.96 2ayy s THR 734 N -1.05 -0.05 0.04 3.92 2.01 0.03 -4.93 115.64 115.61 2ayy s THR 734 Ca 0.17 0.19 -0.30 0.00 0.31 0.00 0.00 61.69 62.06 2ayy s THR 734 Cb -0.12 -0.15 -0.09 0.00 0.01 0.00 0.00 72.50 72.15 2ayy s THR 734 CO 0.07 0.08 1.91 -0.89 -0.69 0.00 0.00 174.62 175.10 2ayy s THR 735 N 1.05 3.01 -0.28 -0.82 2.01 -1.26 -0.64 115.64 118.72 2ayy s THR 735 Ca -0.08 0.11 -0.27 0.00 0.31 0.00 0.00 61.69 61.75 2ayy s THR 735 Cb -0.11 -3.07 0.01 0.00 0.01 0.00 0.00 72.50 69.33 2ayy s THR 735 CO -0.04 -0.01 0.96 -0.47 -0.69 0.00 0.00 174.62 174.37 2ayy s TYR 736 N 4.15 3.25 0.17 4.92 5.04 -0.09 -4.80 117.35 129.98 2ayy s TYR 736 Ca 0.86 1.19 0.00 0.00 -2.44 0.00 0.00 57.07 56.67 2ayy s TYR 736 Cb -0.42 -3.35 0.00 0.00 0.35 0.00 0.00 41.96 38.54 2ayy s TYR 736 CO 0.39 -0.57 0.00 -0.85 -1.34 0.00 0.00 175.55 173.18 2ayy n GLU 737 N 6.41 0.00 -2.74 4.97 -0.00 -1.26 -4.62 120.64 123.41 2ayy n GLU 737 Ca 0.09 0.00 -0.09 0.00 -0.00 0.00 0.00 57.16 57.16 2ayy n GLU 737 Cb 0.47 -0.29 0.07 0.00 -0.00 0.00 0.00 31.44 31.69 2ayy n GLU 737 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ayy n GLY 738 N 2.74 1.51 2.56 -1.84 0.00 -1.26 -5.13 105.19 103.76 2ayy n GLY 738 Ca 0.00 -0.63 -0.17 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.22 0.93 -4.02 1.61 3.00 -1.26 -5.12 117.38 112.29 2ayy n GLN 739 Ca 0.05 -2.28 -0.35 0.00 -0.01 0.00 0.00 57.00 54.40 2ayy n GLN 739 Cb 0.80 0.21 -0.08 0.00 0.00 0.00 0.00 30.24 31.17 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 -3.53 3.66 0.15 -1.09 2.02 -1.26 -5.09 118.70 113.55 2ayy s GLU 740 Ca 0.23 -0.29 -0.27 0.00 0.02 0.00 0.00 54.97 54.66 2ayy s GLU 740 Cb -0.02 -3.14 -0.07 0.00 0.10 0.00 0.00 34.13 31.00 2ayy s GLU 740 CO 0.14 0.50 0.84 -1.25 0.02 0.00 0.00 175.26 175.52 2ayy s PRO 741 N -0.26 4.64 0.05 0.39 0.05 -1.26 -5.08 135.00 133.53 2ayy s PRO 741 Ca 0.09 1.27 0.06 0.00 0.05 0.00 0.00 61.00 62.46 2ayy s PRO 741 Cb -0.12 -3.31 -0.03 0.00 0.05 0.00 0.00 34.50 31.09 2ayy s PRO 741 CO 0.01 0.44 -0.14 0.99 0.05 0.00 0.00 177.00 178.36 2ayy s THR 742 N -0.74 3.12 -1.55 1.26 2.01 -1.26 -4.87 115.64 113.61 2ayy s THR 742 Ca 0.39 -1.12 0.00 0.00 0.31 0.00 0.00 61.69 61.27 2ayy s THR 742 Cb -0.23 -2.36 0.00 0.00 0.01 0.00 0.00 72.50 69.92 2ayy s THR 742 CO 0.28 0.29 0.23 -2.65 -0.69 0.00 0.00 174.62 172.07 2ayy n PRO 743 N 1.34 0.29 0.00 4.92 -0.02 -1.26 -1.59 135.00 138.68 2ayy n PRO 743 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 2ayy n PRO 743 Cb 0.52 -1.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.94 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 -0.11 1.11 -4.28 -0.52 -0.58 -1.26 -3.47 120.64 111.53 2ayy n GLU 744 Ca 0.00 -0.26 -0.23 0.00 -0.42 0.00 0.00 57.16 56.25 2ayy n GLU 744 Cb 0.03 -0.72 -0.07 0.00 -0.57 0.00 0.00 31.44 30.11 2ayy n GLU 744 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ayy s ASP 745 N -0.23 4.60 0.08 1.62 1.01 -0.62 -4.72 116.67 118.40 2ayy s ASP 745 Ca 0.00 -0.63 0.07 0.00 0.71 0.00 0.00 52.55 52.70 2ayy s ASP 745 Cb 0.00 -0.87 -0.04 0.00 1.01 0.00 0.00 42.92 43.03 2ayy s ASP 745 CO 0.00 -0.02 -0.15 0.68 0.21 0.00 0.00 175.17 175.89 2ayy s VAL 746 N -2.32 3.01 -0.54 -1.27 -7.23 -1.26 -1.37 120.40 109.42 2ayy s VAL 746 Ca 0.32 -1.27 -0.14 0.00 -1.81 0.00 0.00 61.98 59.07 2ayy s VAL 746 Cb -0.06 -2.34 0.13 0.00 0.56 0.00 0.00 36.38 34.67 2ayy s VAL 746 CO 0.20 0.21 0.48 -0.22 -0.31 0.00 0.00 175.10 175.47 2ayy s LEU 747 N -1.84 6.10 -0.50 1.32 0.20 -0.05 -0.92 118.68 123.00 2ayy s LEU 747 Ca 0.17 -1.88 -0.24 0.00 0.69 0.00 0.00 54.13 52.87 2ayy s LEU 747 Cb -0.11 -2.16 0.03 0.00 -0.43 0.00 0.00 46.19 43.53 2ayy s LEU 747 CO 0.09 -0.80 0.86 -0.63 -0.29 0.00 0.00 176.35 175.58 2ayy s ILE 748 N 1.44 4.53 0.08 6.68 1.01 0.05 -0.78 121.20 134.20 2ayy s ILE 748 Ca 0.05 0.35 0.09 0.00 0.00 0.00 0.00 60.65 61.14 2ayy s ILE 748 Cb -0.28 -4.43 -0.03 0.00 0.01 0.00 0.00 42.46 37.73 2ayy s ILE 748 CO 0.01 -0.91 -0.24 0.42 0.00 0.00 0.00 174.94 174.23 2ayy s THR 749 N 3.60 1.93 0.07 2.92 -4.23 0.05 -0.37 115.64 119.61 2ayy s THR 749 Ca 0.30 -1.46 0.03 0.00 -1.18 0.00 0.00 61.69 59.39 2ayy s THR 749 Cb -0.12 -1.70 -0.03 0.00 1.34 0.00 0.00 72.50 71.99 2ayy s THR 749 CO 0.21 0.16 -0.10 -0.62 -0.54 0.00 0.00 174.62 173.73 2ayy s ASP 750 N -1.57 1.26 0.10 3.99 2.15 -1.07 -1.12 116.67 120.40 2ayy s ASP 750 Ca 0.10 -0.69 0.00 0.00 0.43 0.00 0.00 52.55 52.39 2ayy s ASP 750 Cb -0.10 0.01 0.00 0.00 -0.30 0.00 0.00 42.92 42.54 2ayy s ASP 750 CO 0.03 -0.22 0.00 1.21 -0.17 0.00 0.00 175.17 176.02 2ayy n GLU 751 N 0.98 0.00 -2.26 4.34 2.13 -0.94 -4.13 120.64 120.76 2ayy n GLU 751 Ca -0.19 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.20 2ayy n GLU 751 Cb 0.56 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.27 2ayy n GLU 751 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2ayy n VAL 752 N -0.06 4.33 0.11 6.31 0.31 -1.26 -4.66 118.33 123.41 2ayy n VAL 752 Ca 0.00 -4.28 -0.19 0.00 -0.01 0.00 0.00 64.34 59.85 2ayy n VAL 752 Cb 0.00 -2.36 -0.13 0.00 -0.91 0.00 0.00 33.84 30.44 2ayy n VAL 752 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 2ayy h VAL 753 N 3.68 1.38 -6.19 2.52 -1.51 -1.95 -3.48 116.25 110.70 2ayy h VAL 753 Ca 0.43 -2.76 -0.44 0.00 -1.23 0.00 0.00 66.70 62.70 2ayy h VAL 753 Cb 0.61 2.85 0.03 0.00 -2.13 0.00 0.00 31.29 32.65 2ayy h VAL 753 CO 1.64 0.82 -0.85 -1.20 -1.23 0.00 0.00 177.57 176.75 2ayy n SER 754 N -3.67 -1.10 -4.51 4.19 7.64 -1.26 -4.99 113.62 109.93 2ayy n SER 754 Ca -0.12 -0.87 -0.29 0.00 1.01 0.00 0.00 58.87 58.60 2ayy n SER 754 Cb 1.01 -3.78 -0.11 0.00 -1.01 0.00 0.00 64.21 60.32 2ayy n SER 754 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2ayy s LYS 755 N -6.11 1.85 0.14 1.43 1.02 -1.26 -4.90 119.74 111.91 2ayy s LYS 755 Ca 0.02 -1.19 0.08 0.00 0.02 0.00 0.00 55.97 54.90 2ayy s LYS 755 Cb -0.01 -2.13 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 2ayy s LYS 755 CO 0.83 0.47 -0.12 0.21 -0.92 0.00 0.00 175.35 175.82 2ayy s LYS 756 N -2.27 2.00 0.11 1.68 2.36 -1.26 -4.61 119.74 117.74 2ayy s LYS 756 Ca 0.19 -1.18 0.05 0.00 -2.55 0.00 0.00 55.97 52.49 2ayy s LYS 756 Cb -0.10 -2.19 -0.04 0.00 -1.05 0.00 0.00 37.83 34.45 2ayy s LYS 756 CO 0.11 0.47 0.03 -0.46 1.55 0.00 0.00 175.35 177.05 2ayy s TRP 757 N -1.41 3.02 -0.37 4.03 -0.00 -1.26 -5.02 118.94 117.93 2ayy s TRP 757 Ca 0.22 -0.02 0.13 0.00 -0.00 0.00 0.00 56.10 56.42 2ayy s TRP 757 Cb -0.10 -1.53 0.44 0.00 -0.00 0.00 0.00 33.47 32.29 2ayy s TRP 757 CO 0.13 0.50 1.02 0.94 -0.00 0.00 0.00 176.95 179.54 2ayy n GLN 758 N 0.34 2.08 0.00 5.86 -0.06 -1.26 -5.05 117.38 119.30 2ayy n GLN 758 Ca -0.10 -3.76 0.00 0.00 -2.00 0.00 0.00 57.00 51.14 2ayy n GLN 758 Cb 0.53 -1.66 0.00 0.00 -4.06 0.00 0.00 30.24 25.05 2ayy n GLN 758 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2ayy n GLY 759 N -0.24 5.00 0.10 1.69 0.00 -1.26 -4.18 105.19 106.29 2ayy n GLY 759 Ca 0.21 -0.67 -0.04 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.12 1.61 9.65 -1.25 -3.44 114.38 117.61 2ayy h ARG 760 Ca 0.00 0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.86 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 -0.15 0.10 0.00 2.80 0.00 0.00 179.97 182.72 2ayy s ALA 761 N -3.42 -1.35 -0.18 2.80 0.00 -1.23 -4.67 121.76 113.71 2ayy s ALA 761 Ca -0.03 0.31 -0.01 0.00 0.00 0.00 0.00 51.96 52.23 2ayy s ALA 761 Cb 0.00 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.91 2ayy s ALA 761 CO 0.10 -0.71 -0.14 0.08 0.00 0.00 0.00 175.76 175.09 2ayy s VAL 762 N -3.68 2.66 -0.56 0.00 1.01 -0.52 -0.87 120.40 118.43 2ayy s VAL 762 Ca 0.01 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.12 2ayy s VAL 762 Cb 0.00 -2.15 0.14 0.00 0.00 0.00 0.00 36.38 34.38 2ayy s VAL 762 CO -0.12 0.50 0.47 -0.69 0.00 0.00 0.00 175.10 175.26 2ayy s VAL 763 N 1.13 4.73 -0.31 2.92 1.01 0.04 -0.41 120.40 129.51 2ayy s VAL 763 Ca 0.01 -1.87 -0.09 0.00 0.00 0.00 0.00 61.98 60.03 2ayy s VAL 763 Cb -0.14 -4.05 -0.00 0.00 0.00 0.00 0.00 36.38 32.19 2ayy s VAL 763 CO -0.05 -0.85 0.13 0.42 0.00 0.00 0.00 175.10 174.75 2ayy s THR 764 N 1.17 4.40 -0.50 3.92 -4.23 -0.45 -0.77 115.64 119.18 2ayy s THR 764 Ca 0.07 -0.52 -0.12 0.00 -1.18 0.00 0.00 61.69 59.94 2ayy s THR 764 Cb -0.25 -3.26 0.12 0.00 1.34 0.00 0.00 72.50 70.46 2ayy s THR 764 CO -0.01 0.06 0.40 -0.36 -0.54 0.00 0.00 174.62 174.17 2ayy s PHE 765 N 1.57 3.35 0.32 3.99 0.40 -0.28 -1.55 117.98 125.79 2ayy s PHE 765 Ca 0.04 -1.62 0.03 0.00 -0.60 0.00 0.00 56.93 54.77 2ayy s PHE 765 Cb -0.17 -3.60 -0.05 0.00 0.51 0.00 0.00 43.02 39.71 2ayy s PHE 765 CO 0.05 -1.00 0.09 0.00 0.70 0.00 0.00 175.22 175.06 2ayy n ARG 767 N -0.65 2.01 -3.77 0.00 1.74 -1.26 -3.39 116.66 111.33 2ayy n ARG 767 Ca -0.02 -0.34 -0.13 0.00 -0.77 0.00 0.00 57.85 56.59 2ayy n ARG 767 Cb 0.66 -1.21 -0.10 0.00 -1.02 0.00 0.00 32.46 30.79 2ayy n ARG 767 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2ayy s ARG 768 N -2.13 0.55 -1.20 5.56 3.52 -1.26 -5.08 118.95 118.91 2ayy s ARG 768 Ca 0.09 0.02 -0.15 0.00 -0.13 0.00 0.00 55.73 55.56 2ayy s ARG 768 Cb 0.12 0.25 0.15 0.00 -1.56 0.00 0.00 34.95 33.91 2ayy s ARG 768 CO 0.50 -0.13 1.45 -1.58 -0.81 0.00 0.00 175.30 174.74 2ayy s HIS 769 N -0.79 3.38 0.00 5.12 5.65 -1.26 -4.84 115.29 122.55 2ayy s HIS 769 Ca -0.09 -2.01 0.00 0.00 0.25 0.00 0.00 55.06 53.21 2ayy s HIS 769 Cb -0.04 -4.37 0.00 0.00 -1.18 0.00 0.00 32.58 26.98 2ayy s HIS 769 CO 0.03 -1.46 0.00 -0.89 -0.65 0.00 0.00 174.74 171.77 2ayy n ILE 770 N 4.92 0.00 0.86 0.89 -0.00 -1.26 -4.85 119.36 119.92 2ayy n ILE 770 Ca 0.37 0.00 0.03 0.00 -0.00 0.00 0.00 62.75 63.15 2ayy n ILE 770 Cb 0.44 0.00 0.12 0.00 -0.00 0.00 0.00 39.64 40.19 2ayy n ILE 770 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2ayy n GLY 771 N 5.00 0.95 3.83 7.39 0.00 -1.26 -4.87 105.19 116.22 2ayy n GLY 771 Ca 0.00 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 2ayy n GLY 771 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ayy s ILE 772 N -1.63 4.87 0.39 -0.61 -1.09 -1.26 -4.54 121.20 117.32 2ayy s ILE 772 Ca 0.17 0.98 -0.27 0.00 -2.23 0.00 0.00 60.65 59.29 2ayy s ILE 772 Cb 0.11 -3.79 -0.10 0.00 -1.58 0.00 0.00 42.46 37.09 2ayy s ILE 772 CO 0.08 0.48 1.42 -2.16 -1.23 0.00 0.00 174.94 173.53 2ayy s PRO 773 N -1.33 4.06 -0.40 2.79 0.04 -1.26 -4.95 135.00 133.95 2ayy s PRO 773 Ca 0.30 2.42 0.05 0.00 0.04 0.00 0.00 61.00 63.80 2ayy s PRO 773 Cb -0.17 -2.90 0.45 0.00 0.04 0.00 0.00 34.50 31.91 2ayy s PRO 773 CO 0.17 -0.51 1.34 -0.11 0.04 0.00 0.00 177.00 177.93 2ayy n LEU 774 N 0.36 5.41 0.00 -3.56 7.94 -1.26 -4.42 117.00 121.47 2ayy n LEU 774 Ca 0.02 -4.78 0.00 0.00 -1.11 0.00 0.00 56.01 50.14 2ayy n LEU 774 Cb 0.41 -0.49 0.00 0.00 0.53 0.00 0.00 43.42 43.87 2ayy n LEU 774 CO 0.61 2.03 0.00 1.21 -1.11 0.00 0.00 177.39 180.12 2ayy n GLU 775 N -0.69 0.00 -1.87 1.96 2.13 -1.26 -4.68 120.64 116.23 2ayy n GLU 775 Ca 0.46 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 58.14 2ayy n GLU 775 Cb 0.83 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.51 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 -1.67 -3.61 5.31 4.76 -1.26 -4.74 118.16 130.95 2ayy n LYS 776 Ca 0.00 0.76 -0.09 0.00 -2.87 0.00 0.00 58.31 56.12 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 -2.42 -1.99 0.00 7.82 0.00 -1.26 -5.03 121.76 118.87 2ayy s ALA 777 Ca 0.00 1.70 -0.03 0.00 0.00 0.00 0.00 51.96 53.63 2ayy s ALA 777 Cb 0.00 -1.07 -0.13 0.00 0.00 0.00 0.00 23.12 21.92 2ayy s ALA 777 CO 0.00 -0.27 2.14 -2.30 0.00 0.00 0.00 175.76 175.33 2ayy n PRO 778 N 1.12 1.08 0.00 0.00 -0.02 -1.26 -2.55 135.00 133.37 2ayy n PRO 778 Ca -0.09 -0.47 0.00 0.00 -2.02 0.00 0.00 63.50 60.91 2ayy n PRO 778 Cb 0.57 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 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 2.48 1.00 3.38 -1.23 0.00 -1.26 -4.95 105.19 104.61 2ayy n GLY 779 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 0.70 -0.22 1.61 -1.05 -1.06 -1.44 118.70 117.24 2ayy s GLU 780 Ca 0.00 0.37 -0.03 0.00 -0.15 0.00 0.00 54.97 55.17 2ayy s GLU 780 Cb 0.00 0.33 0.07 0.00 -0.44 0.00 0.00 34.13 34.09 2ayy s GLU 780 CO 0.00 -0.15 0.05 -1.58 0.95 0.00 0.00 175.26 174.53 2ayy s TRP 781 N -0.45 1.12 -0.09 4.83 0.52 0.45 -3.98 118.94 121.34 2ayy s TRP 781 Ca -0.06 -1.02 -0.18 0.00 0.02 0.00 0.00 56.10 54.86 2ayy s TRP 781 Cb -0.03 -1.14 -0.04 0.00 -1.15 0.00 0.00 33.47 31.10 2ayy s TRP 781 CO 0.04 -0.67 0.50 0.54 0.02 0.00 0.00 176.95 177.37 2ayy s VAL 782 N 1.83 5.12 0.00 4.03 0.11 -1.26 -1.34 120.40 128.89 2ayy s VAL 782 Ca 0.01 1.01 -0.19 0.00 -2.93 0.00 0.00 61.98 59.88 2ayy s VAL 782 Cb -0.17 -3.83 0.04 0.00 -1.53 0.00 0.00 36.38 30.88 2ayy s VAL 782 CO -0.13 0.36 0.42 -2.28 -3.33 0.00 0.00 175.10 170.15 2ayy s HIS 783 N 0.34 -0.30 0.39 1.54 5.04 -0.59 -4.91 115.29 116.79 2ayy s HIS 783 Ca 0.27 0.42 -0.27 0.00 -1.54 0.00 0.00 55.06 53.94 2ayy s HIS 783 Cb -0.16 0.20 -0.09 0.00 0.04 0.00 0.00 32.58 32.57 2ayy s HIS 783 CO 0.12 -0.50 1.30 -1.54 -2.34 0.00 0.00 174.74 171.78 2ayy s SER 784 N -1.56 6.42 -1.20 9.88 1.04 -1.26 -1.88 113.70 125.14 2ayy s SER 784 Ca -0.10 2.66 -0.20 0.00 0.48 0.00 0.00 55.95 58.79 2ayy s SER 784 Cb -0.02 -2.64 -0.03 0.00 0.10 0.00 0.00 66.02 63.42 2ayy s SER 784 CO 0.03 -0.77 1.88 0.52 0.98 0.00 0.00 173.24 175.88 2ayy n VAL 785 N 0.28 2.73 -3.68 5.02 0.31 -1.22 -4.78 118.33 116.99 2ayy n VAL 785 Ca 0.03 -2.77 -0.13 0.00 -0.01 0.00 0.00 64.34 61.46 2ayy n VAL 785 Cb 0.43 -2.28 -0.09 0.00 -0.91 0.00 0.00 33.84 31.00 2ayy n VAL 785 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ayy s ALA 786 N 7.49 -1.39 -0.01 3.52 0.00 -1.26 -5.04 121.76 125.07 2ayy s ALA 786 Ca 0.61 1.59 -0.01 0.00 0.00 0.00 0.00 51.96 54.14 2ayy s ALA 786 Cb 0.04 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.24 2ayy s ALA 786 CO 0.10 -0.27 0.03 0.00 0.00 0.00 0.00 175.76 175.62 2ayy n ALA 787 N 2.80 -2.64 0.96 0.00 0.00 -1.26 -4.77 120.51 115.59 2ayy n ALA 787 Ca -0.14 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2ayy n ALA 787 Cb 0.56 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.88 2ayy n ALA 787 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2ayy n PRO 788 N 0.98 0.81 -0.01 0.00 -0.04 -1.26 -2.79 135.00 132.69 2ayy n PRO 788 Ca -0.04 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.41 2ayy n PRO 788 Cb 0.07 -1.33 -0.12 0.00 -0.04 0.00 0.00 33.50 32.07 2ayy n PRO 788 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2ayy n HIS 789 N -0.01 0.51 0.02 0.54 1.44 -1.26 -4.46 115.22 112.00 2ayy n HIS 789 Ca 0.00 0.17 -0.12 0.00 -2.01 0.00 0.00 57.72 55.76 2ayy n HIS 789 Cb 0.17 -0.94 -0.09 0.00 0.12 0.00 0.00 29.99 29.24 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 -0.11 0.69 -1.40 4.39 -1.82 -3.20 114.58 113.13 2ayy h GLU 790 Ca -0.24 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.44 2ayy h GLU 790 Cb 1.65 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.31 2ayy h GLU 790 CO 0.03 0.41 -0.45 1.25 -1.16 0.00 0.00 179.01 179.09 2ayy h LEU 791 N -0.73 -1.15 -0.88 1.33 6.46 -1.79 0.15 115.31 118.69 2ayy h LEU 791 Ca -0.01 0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.78 2ayy h LEU 791 Cb 0.57 0.34 -0.03 0.00 -0.73 0.00 0.00 40.66 40.81 2ayy h LEU 791 CO 0.02 -0.68 0.31 -0.65 -0.62 0.00 0.00 178.44 176.81 2ayy h PRO 792 N -1.08 1.12 -0.43 5.25 0.11 -1.78 -0.07 132.00 135.12 2ayy h PRO 792 Ca -0.09 -0.19 -0.14 0.00 0.11 0.00 0.00 66.00 65.69 2ayy h PRO 792 Cb 0.88 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 2ayy h PRO 792 CO 0.07 0.91 -0.27 0.00 -0.21 0.00 0.00 178.00 178.50 2ayy h ALA 793 N 1.23 0.71 -0.43 -0.75 0.00 -1.54 -2.10 119.26 116.38 2ayy h ALA 793 Ca 0.26 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 2ayy h ALA 793 Cb 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2ayy h ALA 793 CO -0.02 0.67 -0.20 1.25 0.00 0.00 0.00 179.25 180.95 2ayy h LEU 794 N 0.79 0.92 -1.00 0.00 6.46 -0.58 -2.29 115.31 119.61 2ayy h LEU 794 Ca 0.09 -0.40 -0.02 0.00 -0.12 0.00 0.00 57.88 57.43 2ayy h LEU 794 Cb 0.84 -0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 40.47 2ayy h LEU 794 CO 0.07 1.12 0.43 -0.07 -0.62 0.00 0.00 178.44 179.37 2ayy h LEU 795 N 0.72 1.02 -1.22 2.25 4.07 -0.92 0.18 115.31 121.41 2ayy h LEU 795 Ca 0.10 -0.09 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 2ayy h LEU 795 Cb 0.76 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 42.23 2ayy h LEU 795 CO 0.06 0.83 -0.02 0.00 -1.08 0.00 0.00 178.44 178.23 2ayy h ALA 796 N 1.34 1.36 -0.23 1.53 0.00 -1.21 -0.34 119.26 121.71 2ayy h ALA 796 Ca 0.28 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 2ayy h ALA 796 Cb 0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2ayy h ALA 796 CO -0.04 0.44 -0.58 -0.09 0.00 0.00 0.00 179.25 178.98 2ayy h ARG 797 N 0.49 0.73 -0.46 0.00 2.43 -0.67 0.46 114.38 117.35 2ayy h ARG 797 Ca 0.10 -0.48 -0.06 0.00 -0.81 0.00 0.00 59.98 58.74 2ayy h ARG 797 Cb 0.35 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 2ayy h ARG 797 CO 0.01 1.10 0.06 0.82 -1.51 0.00 0.00 179.97 180.46 2ayy h ILE 798 N 0.55 1.25 0.00 1.20 2.04 -0.57 -2.38 117.51 119.60 2ayy h ILE 798 Ca 0.00 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 64.93 2ayy h ILE 798 Cb 1.16 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2ayy h ILE 798 CO 0.12 0.33 0.00 -1.22 0.00 0.00 0.00 178.15 177.37 2ayy n TYR 799 N -4.44 0.00 -3.51 1.37 4.02 -0.18 -4.91 117.16 109.52 2ayy n TYR 799 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.71 2ayy n TYR 799 Cb 0.26 -0.20 0.07 0.00 -0.02 0.00 0.00 39.34 39.45 2ayy n TYR 799 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2ayy n LEU 800 N -1.20 -3.80 -0.03 7.72 7.99 -0.58 -4.97 117.00 122.13 2ayy n LEU 800 Ca 0.16 -0.69 -0.01 0.00 -0.01 0.00 0.00 56.01 55.46 2ayy n LEU 800 Cb 0.19 -2.98 -0.00 0.00 -0.11 0.00 0.00 43.42 40.52 2ayy n LEU 800 CO 0.20 0.38 -0.07 0.40 -1.51 0.00 0.00 177.39 176.78 2ayy h ILE 801 N -1.85 0.00 0.00 -0.08 1.08 -0.38 -3.50 117.51 112.79 2ayy h ILE 801 Ca -0.60 -0.45 0.00 0.00 -0.39 0.00 0.00 64.86 63.43 2ayy h ILE 801 Cb 1.34 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.09 2ayy h ILE 801 CO 0.52 0.00 0.00 -0.62 -0.69 0.00 0.00 178.15 177.36 2ayy n GLU 802 N -3.27 0.00 -2.43 2.37 -0.58 -1.26 -5.08 120.64 110.39 2ayy n GLU 802 Ca -0.01 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.38 2ayy n GLU 802 Cb 0.05 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 30.90 2ayy n GLU 802 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 2ayy s MET 803 N -0.74 3.68 0.40 3.49 -1.94 -1.26 -4.99 119.30 117.93 2ayy s MET 803 Ca 0.00 1.48 -0.07 0.00 -1.71 0.00 0.00 55.69 55.39 2ayy s MET 803 Cb 0.00 -2.11 -0.05 0.00 2.01 0.00 0.00 34.83 34.67 2ayy s MET 803 CO 0.00 -0.56 0.71 -1.21 -0.01 0.00 0.00 175.02 173.96 2ayy s GLU 804 N -3.17 3.66 0.00 2.03 0.41 -1.26 -4.00 118.70 116.37 2ayy s GLU 804 Ca 0.68 0.24 0.17 0.00 -0.41 0.00 0.00 54.97 55.65 2ayy s GLU 804 Cb -0.20 -2.46 0.28 0.00 -1.78 0.00 0.00 34.13 29.97 2ayy s GLU 804 CO 0.24 -0.02 1.09 -1.13 -0.49 0.00 0.00 175.26 174.94 2ayy n SER 805 N -1.53 0.52 -4.28 -0.19 3.41 -1.26 -4.87 113.62 105.42 2ayy n SER 805 Ca 0.01 -1.96 -0.43 0.00 -0.26 0.00 0.00 58.87 56.22 2ayy n SER 805 Cb 0.54 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 2ayy n SER 805 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2ayy n ASP 806 N 0.32 4.96 -4.64 4.04 2.03 -1.26 -4.89 116.55 117.11 2ayy n ASP 806 Ca 0.00 -2.97 -0.43 0.00 0.52 0.00 0.00 54.79 51.91 2ayy n ASP 806 Cb 0.98 -1.61 -0.03 0.00 -0.72 0.00 0.00 41.12 39.74 2ayy n ASP 806 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2ayy n ASP 807 N 6.02 3.80 -4.58 1.67 2.03 -1.26 -4.87 116.55 119.36 2ayy n ASP 807 Ca 0.42 0.67 -0.36 0.00 0.52 0.00 0.00 54.79 56.05 2ayy n ASP 807 Cb 0.42 -1.52 -0.03 0.00 -0.72 0.00 0.00 41.12 39.26 2ayy n ASP 807 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 2ayy s PRO 808 N 5.09 3.25 0.08 -0.67 0.02 -1.26 -4.96 135.00 136.55 2ayy s PRO 808 Ca 0.94 -1.51 -0.30 0.00 0.02 0.00 0.00 61.00 60.14 2ayy s PRO 808 Cb -0.43 -5.38 -0.05 0.00 0.02 0.00 0.00 34.50 28.66 2ayy s PRO 808 CO 0.41 -3.07 1.01 0.00 -0.33 0.00 0.00 177.00 175.02 2ayy s ALA 809 N 7.52 3.25 -0.43 -1.55 0.00 -1.26 -4.99 121.76 124.30 2ayy s ALA 809 Ca 0.61 0.63 0.08 0.00 0.00 0.00 0.00 51.96 53.27 2ayy s ALA 809 Cb 0.01 -3.33 0.25 0.00 0.00 0.00 0.00 23.12 20.05 2ayy s ALA 809 CO 0.09 -0.17 0.55 -1.71 0.00 0.00 0.00 175.76 174.53 2ayy n ASN 810 N 3.25 0.69 -4.35 0.00 2.85 -1.26 -5.05 115.26 111.40 2ayy n ASN 810 Ca 0.04 -2.80 -0.46 0.00 -0.11 0.00 0.00 54.58 51.25 2ayy n ASN 810 Cb 0.49 -0.64 -0.03 0.00 1.24 0.00 0.00 39.78 40.83 2ayy n ASN 810 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ayy s ALA 811 N -1.38 3.78 -0.13 5.20 0.00 -1.26 -5.04 121.76 122.94 2ayy s ALA 811 Ca 0.36 -2.88 -0.02 0.00 0.00 0.00 0.00 51.96 49.42 2ayy s ALA 811 Cb 0.17 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 2ayy s ALA 811 CO -0.10 -2.31 -0.06 -1.17 0.00 0.00 0.00 175.76 172.12 2ayy s LEU 812 N 1.25 3.14 -0.30 0.00 2.96 -1.26 -5.08 118.68 119.39 2ayy s LEU 812 Ca 0.15 -0.13 -0.29 0.00 -0.22 0.00 0.00 54.13 53.64 2ayy s LEU 812 Cb -0.17 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.79 2ayy s LEU 812 CO -0.03 0.22 1.44 -2.84 -1.32 0.00 0.00 176.35 173.82 2ayy s PRO 813 N 0.05 3.78 -1.12 0.98 0.02 -1.26 -4.96 135.00 132.49 2ayy s PRO 813 Ca -0.01 1.31 -0.08 0.00 0.02 0.00 0.00 61.00 62.25 2ayy s PRO 813 Cb -0.14 -3.97 0.28 0.00 0.02 0.00 0.00 34.50 30.69 2ayy s PRO 813 CO 0.03 -1.30 1.29 0.43 -0.33 0.00 0.00 177.00 177.12 2ayy n SER 814 N 8.25 5.81 -4.53 2.53 7.64 -1.26 -5.00 113.62 127.06 2ayy n SER 814 Ca 0.17 -3.17 -0.34 0.00 1.01 0.00 0.00 58.87 56.54 2ayy n SER 814 Cb 0.46 -1.36 -0.12 0.00 -1.01 0.00 0.00 64.21 62.19 2ayy n SER 814 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2ayy s THR 815 N -1.58 3.57 -0.11 0.44 2.01 -1.26 -5.36 115.64 113.34 2ayy s THR 815 Ca 0.32 -0.52 0.01 0.00 0.31 0.00 0.00 61.69 61.81 2ayy s THR 815 Cb -0.04 -2.47 0.01 0.00 0.01 0.00 0.00 72.50 70.01 2ayy s THR 815 CO -0.01 0.58 0.53 -0.67 -0.69 0.00 0.00 174.62 174.36