#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 2.77 -0.29 3.03 0.00 -1.26 -5.01 107.32 106.56 2ayy s GLY 697 Ca 0.00 1.20 -0.01 0.00 0.00 0.00 0.00 44.72 45.92 2ayy s GLY 697 CO 0.00 1.97 0.55 -0.32 0.00 0.00 0.00 173.10 175.30 2ayy s GLY 698 N -0.19 -0.90 -0.29 0.20 0.00 -1.26 -5.13 107.32 99.75 2ayy s GLY 698 Ca 0.52 1.55 -0.13 0.00 0.00 0.00 0.00 44.72 46.66 2ayy s GLY 698 CO 0.47 3.26 0.29 -0.56 0.00 0.00 0.00 173.10 176.56 2ayy s SER 699 N 2.79 6.13 0.91 1.64 0.01 -1.26 -5.08 113.70 118.84 2ayy s SER 699 Ca 0.18 0.01 -0.13 0.00 1.31 0.00 0.00 55.95 57.33 2ayy s SER 699 Cb -0.15 -2.17 0.14 0.00 0.21 0.00 0.00 66.02 64.06 2ayy s SER 699 CO -0.21 -0.16 1.15 -0.83 0.41 0.00 0.00 173.24 173.60 2ayy s GLY 700 N 1.71 1.58 0.01 3.44 0.00 -1.26 -5.09 107.32 107.71 2ayy s GLY 700 Ca 0.10 -0.57 -0.02 0.00 0.00 0.00 0.00 44.72 44.24 2ayy s GLY 700 CO 0.11 -0.01 0.02 0.54 0.00 0.00 0.00 173.10 173.76 2ayy s VAL 701 N -3.33 0.07 0.25 1.40 0.11 -1.26 -5.17 120.40 112.49 2ayy s VAL 701 Ca 0.64 -0.61 0.05 0.00 -2.93 0.00 0.00 61.98 59.14 2ayy s VAL 701 Cb -0.14 -0.23 -0.03 0.00 -1.53 0.00 0.00 36.38 34.45 2ayy s VAL 701 CO 0.53 -0.33 0.35 -1.61 -3.33 0.00 0.00 175.10 170.71 2ayy s GLU 702 N -1.01 3.32 0.34 1.54 8.01 -1.26 -5.12 118.70 124.52 2ayy s GLU 702 Ca -0.11 -0.84 0.07 0.00 0.01 0.00 0.00 54.97 54.10 2ayy s GLU 702 Cb -0.07 -2.83 -0.01 0.00 -4.31 0.00 0.00 34.13 26.91 2ayy s GLU 702 CO -0.00 0.38 0.45 0.20 0.01 0.00 0.00 175.26 176.29 2ayy s GLY 703 N -3.99 1.65 -0.02 -1.39 0.00 -1.26 -5.13 107.32 97.18 2ayy s GLY 703 Ca 0.35 -1.50 -0.17 0.00 0.00 0.00 0.00 44.72 43.40 2ayy s GLY 703 CO 0.29 -1.41 0.36 1.08 0.00 0.00 0.00 173.10 173.42 2ayy s LEU 704 N -4.15 0.63 -0.25 0.66 1.43 -1.26 -5.16 118.68 110.57 2ayy s LEU 704 Ca 0.45 0.18 -0.26 0.00 -1.03 0.00 0.00 54.13 53.48 2ayy s LEU 704 Cb -0.09 1.45 0.07 0.00 0.03 0.00 0.00 46.19 47.65 2ayy s LEU 704 CO 0.30 -0.47 0.73 -0.44 0.23 0.00 0.00 176.35 176.71 2ayy s SER 705 N -1.29 -0.73 0.12 2.29 0.01 -1.26 -5.18 113.70 107.67 2ayy s SER 705 Ca -0.13 1.36 0.07 0.00 1.31 0.00 0.00 55.95 58.57 2ayy s SER 705 Cb -0.04 1.37 -0.04 0.00 0.21 0.00 0.00 66.02 67.52 2ayy s SER 705 CO 0.05 -0.28 -0.17 -0.83 0.41 0.00 0.00 173.24 172.42 2ayy s GLY 706 N 0.24 1.18 0.09 3.44 0.00 -1.26 -5.10 107.32 105.91 2ayy s GLY 706 Ca -0.01 -1.29 -0.31 0.00 0.00 0.00 0.00 44.72 43.12 2ayy s GLY 706 CO 0.02 -1.32 1.79 0.54 0.00 0.00 0.00 173.10 174.12 2ayy s LYS 707 N -2.31 4.16 0.04 2.90 1.02 -1.26 -4.84 119.74 119.44 2ayy s LYS 707 Ca 0.08 2.51 0.01 0.00 0.02 0.00 0.00 55.97 58.59 2ayy s LYS 707 Cb -0.08 -3.67 -0.04 0.00 -0.52 0.00 0.00 37.83 33.53 2ayy s LYS 707 CO 0.04 -0.82 0.09 0.50 -0.92 0.00 0.00 175.35 174.24 2ayy s ARG 708 N 2.93 3.03 -0.05 1.68 3.52 -1.26 -0.78 118.95 128.02 2ayy s ARG 708 Ca 0.79 -0.56 -0.03 0.00 -0.13 0.00 0.00 55.73 55.81 2ayy s ARG 708 Cb -0.43 -2.83 0.03 0.00 -1.56 0.00 0.00 34.95 30.16 2ayy s ARG 708 CO 0.36 0.61 0.12 0.00 -0.81 0.00 0.00 175.30 175.58 2ayy s TRP 710 N 0.97 3.64 -0.10 0.00 0.52 -0.05 -0.54 118.94 123.38 2ayy s TRP 710 Ca -0.08 0.72 0.02 0.00 0.02 0.00 0.00 56.10 56.78 2ayy s TRP 710 Cb -0.10 -2.09 0.01 0.00 -1.15 0.00 0.00 33.47 30.15 2ayy s TRP 710 CO -0.04 0.67 -0.15 -0.48 0.02 0.00 0.00 176.95 176.96 2ayy s LEU 711 N -1.26 1.71 -0.43 2.99 2.34 -0.44 -0.81 118.68 122.78 2ayy s LEU 711 Ca 0.22 -0.41 0.09 0.00 0.06 0.00 0.00 54.13 54.09 2ayy s LEU 711 Cb -0.14 -1.05 0.41 0.00 -0.56 0.00 0.00 46.19 44.84 2ayy s LEU 711 CO 0.11 0.02 0.99 0.00 -1.06 0.00 0.00 176.35 176.41 2ayy n ALA 712 N 4.12 4.19 -2.70 1.48 0.00 0.17 -2.37 120.51 125.40 2ayy n ALA 712 Ca -0.19 -3.97 -0.40 0.00 0.00 0.00 0.00 53.44 48.87 2ayy n ALA 712 Cb 0.51 -0.73 -0.05 0.00 0.00 0.00 0.00 19.45 19.19 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 -4.31 5.01 -0.18 0.00 1.01 -1.25 -2.72 120.40 117.96 2ayy s VAL 713 Ca 0.42 1.43 0.18 0.00 0.00 0.00 0.00 61.98 64.01 2ayy s VAL 713 Cb 0.39 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 2ayy s VAL 713 CO -0.11 0.18 1.12 0.03 0.00 0.00 0.00 175.10 176.32 2ayy h ARG 714 N 7.00 0.00 -6.38 2.72 2.47 -1.89 -3.42 114.38 114.88 2ayy h ARG 714 Ca -0.37 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 57.80 2ayy h ARG 714 Cb 1.17 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 29.41 2ayy h ARG 714 CO 0.77 0.28 1.02 -0.80 0.56 0.00 0.00 179.97 181.81 2ayy s ASN 715 N -5.96 6.23 0.18 7.04 0.01 -1.26 -4.90 114.94 116.29 2ayy s ASN 715 Ca 0.00 -0.34 -0.12 0.00 -0.71 0.00 0.00 52.86 51.70 2ayy s ASN 715 Cb 0.08 -2.55 0.09 0.00 0.41 0.00 0.00 41.25 39.28 2ayy s ASN 715 CO 0.78 -1.74 1.80 0.00 -1.51 0.00 0.00 177.10 176.43 2ayy h ALA 716 N 9.89 0.79 -0.56 0.60 0.00 -1.98 0.52 119.26 128.53 2ayy h ALA 716 Ca -0.27 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.55 2ayy h ALA 716 Cb 1.05 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2ayy h ALA 716 CO 1.25 0.30 0.37 0.66 0.00 0.00 0.00 179.25 181.83 2ayy h SER 717 N 0.84 0.64 -0.07 0.00 4.64 -1.98 -0.40 113.55 117.23 2ayy h SER 717 Ca 0.22 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.51 2ayy h SER 717 Cb 0.03 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 61.96 2ayy h SER 717 CO -0.04 0.46 -0.01 0.25 -0.87 0.00 0.00 176.83 176.63 2ayy h LEU 718 N 0.75 0.12 -1.17 5.97 6.46 -1.84 -2.81 115.31 122.80 2ayy h LEU 718 Ca 0.21 -0.34 -0.03 0.00 -0.12 0.00 0.00 57.88 57.59 2ayy h LEU 718 Cb -0.08 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 39.79 2ayy h LEU 718 CO -0.05 0.43 0.20 0.00 -0.62 0.00 0.00 178.44 178.40 2ayy h GLN 720 N 0.77 0.63 -0.30 0.00 1.08 -1.10 0.84 115.11 117.03 2ayy h GLN 720 Ca 0.18 -0.38 -0.01 0.00 -1.45 0.00 0.00 58.65 56.99 2ayy h GLN 720 Cb 0.18 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 2ayy h GLN 720 CO -0.01 0.99 0.14 0.35 -0.95 0.00 0.00 178.83 179.35 2ayy h PHE 721 N 0.33 0.43 -0.11 2.96 3.57 -1.20 -1.65 116.94 121.28 2ayy h PHE 721 Ca 0.02 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2ayy h PHE 721 Cb 0.94 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.54 2ayy h PHE 721 CO 0.08 0.40 0.04 1.25 -2.23 0.00 0.00 178.31 177.85 2ayy h LEU 722 N 0.35 0.16 -0.86 0.59 7.12 -0.89 -1.81 115.31 119.97 2ayy h LEU 722 Ca 0.10 -0.20 -0.05 0.00 0.13 0.00 0.00 57.88 57.86 2ayy h LEU 722 Cb 0.13 -0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 40.18 2ayy h LEU 722 CO -0.01 0.32 0.22 1.05 -0.13 0.00 0.00 178.44 179.89 2ayy h GLU 723 N 0.00 1.07 -0.29 1.25 -0.00 -0.79 -1.83 114.58 113.98 2ayy h GLU 723 Ca 0.04 -0.22 -0.08 0.00 -0.00 0.00 0.00 59.36 59.10 2ayy h GLU 723 Cb 0.21 -0.16 -0.02 0.00 -0.00 0.00 0.00 28.75 28.78 2ayy h GLU 723 CO -0.00 0.91 -0.15 1.15 -0.00 0.00 0.00 179.01 180.92 2ayy h THR 724 N 1.03 1.24 -0.23 -1.06 2.02 -1.21 -0.86 112.91 113.84 2ayy h THR 724 Ca 0.23 -1.07 -0.02 0.00 0.77 0.00 0.00 66.41 66.32 2ayy h THR 724 Cb 0.28 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 2ayy h THR 724 CO -0.01 0.35 0.07 0.28 0.37 0.00 0.00 175.52 176.58 2ayy h SER 725 N 0.46 0.33 0.39 4.18 0.02 -0.52 -0.92 113.55 117.49 2ayy h SER 725 Ca 0.08 -0.20 -0.14 0.00 -0.84 0.00 0.00 61.79 60.69 2ayy h SER 725 Cb 0.53 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 2ayy h SER 725 CO 0.03 0.44 -0.59 0.17 -1.14 0.00 0.00 176.83 175.74 2ayy h LEU 726 N 0.20 0.22 -1.50 5.07 8.10 -1.26 -2.60 115.31 123.54 2ayy h LEU 726 Ca 0.07 -0.13 -0.05 0.00 0.11 0.00 0.00 57.88 57.88 2ayy h LEU 726 Cb 0.23 -0.06 -0.01 0.00 -0.44 0.00 0.00 40.66 40.37 2ayy h LEU 726 CO -0.00 0.76 -0.25 1.56 -4.11 0.00 0.00 178.44 176.40 2ayy h GLN 727 N 0.15 0.00 0.00 0.17 4.20 -0.95 -0.43 115.11 118.25 2ayy h GLN 727 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2ayy h GLN 727 Cb 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 2ayy h GLN 727 CO 0.09 0.25 0.00 0.54 -0.67 0.00 0.00 178.83 179.04 2ayy n ARG 728 N -3.87 0.14 0.00 1.46 5.12 -0.37 -1.84 116.66 117.31 2ayy n ARG 728 Ca -0.02 0.31 0.11 0.00 -1.93 0.00 0.00 57.85 56.32 2ayy n ARG 728 Cb 0.34 -1.74 0.02 0.00 -1.16 0.00 0.00 32.46 29.91 2ayy n ARG 728 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2ayy n SER 729 N -2.00 0.79 0.00 0.55 2.88 -0.29 -4.94 113.62 110.61 2ayy n SER 729 Ca 0.03 -0.69 0.00 0.00 -1.33 0.00 0.00 58.87 56.89 2ayy n SER 729 Cb 0.26 0.73 0.00 0.00 -0.75 0.00 0.00 64.21 64.45 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 1.49 0.94 3.75 0.46 0.00 -0.77 -5.08 105.19 105.98 2ayy n GLY 730 Ca 0.04 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 5.36 -0.24 -0.61 1.01 -0.51 -4.20 121.20 120.01 2ayy s ILE 731 Ca 0.00 0.38 -0.14 0.00 0.00 0.00 0.00 60.65 60.89 2ayy s ILE 731 Cb 0.00 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 2ayy s ILE 731 CO 0.00 0.44 0.32 0.54 0.00 0.00 0.00 174.94 176.24 2ayy s VAL 732 N 0.22 5.24 0.32 2.92 0.11 0.04 -3.45 120.40 125.80 2ayy s VAL 732 Ca 0.13 0.49 -0.22 0.00 -2.93 0.00 0.00 61.98 59.46 2ayy s VAL 732 Cb -0.12 -3.65 -0.10 0.00 -1.53 0.00 0.00 36.38 30.98 2ayy s VAL 732 CO 0.02 0.24 0.85 -0.69 -3.33 0.00 0.00 175.10 172.19 2ayy s VAL 733 N 1.55 4.41 -0.05 2.04 1.01 -1.26 -1.74 120.40 126.36 2ayy s VAL 733 Ca 0.14 1.49 0.01 0.00 0.00 0.00 0.00 61.98 63.61 2ayy s VAL 733 Cb -0.15 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.42 2ayy s VAL 733 CO 0.08 0.02 -0.04 -0.89 0.00 0.00 0.00 175.10 174.28 2ayy s THR 734 N -1.75 0.53 -0.10 3.92 2.01 0.30 -4.91 115.64 115.65 2ayy s THR 734 Ca 0.51 -0.09 -0.29 0.00 0.31 0.00 0.00 61.69 62.13 2ayy s THR 734 Cb -0.15 -0.58 -0.06 0.00 0.01 0.00 0.00 72.50 71.72 2ayy s THR 734 CO 0.20 0.24 1.85 -0.89 -0.69 0.00 0.00 174.62 175.33 2ayy s THR 735 N 1.14 3.32 -0.78 -0.82 2.01 -1.26 -1.33 115.64 117.93 2ayy s THR 735 Ca -0.07 0.37 -0.20 0.00 0.31 0.00 0.00 61.69 62.10 2ayy s THR 735 Cb -0.14 -3.30 0.10 0.00 0.01 0.00 0.00 72.50 69.18 2ayy s THR 735 CO -0.01 -0.09 1.01 -0.47 -0.69 0.00 0.00 174.62 174.36 2ayy s TYR 736 N 5.27 2.92 -0.66 4.92 5.04 -1.00 -4.76 117.35 129.08 2ayy s TYR 736 Ca 0.83 -0.99 0.23 0.00 -2.44 0.00 0.00 57.07 54.70 2ayy s TYR 736 Cb -0.34 -4.26 0.18 0.00 0.35 0.00 0.00 41.96 37.90 2ayy s TYR 736 CO 0.34 -1.53 1.16 0.39 -1.34 0.00 0.00 175.55 174.57 2ayy n GLU 737 N 7.00 0.26 0.00 4.97 -0.58 -1.26 -4.68 120.64 126.34 2ayy n GLU 737 Ca 0.08 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 2ayy n GLU 737 Cb 0.47 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 2ayy n GLU 737 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ayy n GLY 738 N 1.37 0.82 0.00 0.62 0.00 -1.26 -5.13 105.19 101.61 2ayy n GLY 738 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2ayy n GLY 738 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ayy n GLN 739 N 0.00 0.00 -4.00 1.61 3.00 -1.26 -5.02 117.38 111.71 2ayy n GLN 739 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.69 2ayy n GLN 739 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 30.24 30.08 2ayy n GLN 739 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2ayy s GLU 740 N 0.41 2.17 0.07 -1.09 2.56 -1.26 -5.11 118.70 116.45 2ayy s GLU 740 Ca 0.00 -0.53 -0.31 0.00 0.00 0.00 0.00 54.97 54.13 2ayy s GLU 740 Cb 0.00 -2.05 -0.07 0.00 2.00 0.00 0.00 34.13 34.02 2ayy s GLU 740 CO 0.00 -0.25 1.32 -2.14 -0.56 0.00 0.00 175.26 173.63 2ayy s PRO 741 N 1.52 4.35 -0.01 4.30 0.02 -1.26 -5.04 135.00 138.88 2ayy s PRO 741 Ca 0.05 1.94 0.07 0.00 0.02 0.00 0.00 61.00 63.07 2ayy s PRO 741 Cb -0.13 -3.35 -0.02 0.00 0.02 0.00 0.00 34.50 31.02 2ayy s PRO 741 CO -0.10 -0.40 -0.23 0.99 -0.33 0.00 0.00 177.00 176.93 2ayy s THR 742 N 1.36 2.31 0.38 0.99 2.01 -1.26 -4.83 115.64 116.60 2ayy s THR 742 Ca 0.62 -1.09 0.05 0.00 0.31 0.00 0.00 61.69 61.57 2ayy s THR 742 Cb -0.33 -1.85 0.25 0.00 0.01 0.00 0.00 72.50 70.58 2ayy s THR 742 CO 0.29 0.52 2.01 1.55 -0.69 0.00 0.00 174.62 178.31 2ayy h PRO 743 N 5.26 0.65 -0.10 4.92 0.13 -1.89 -1.50 132.00 139.47 2ayy h PRO 743 Ca -0.45 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2ayy h PRO 743 Cb 1.13 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2ayy h PRO 743 CO 0.47 0.46 0.00 0.39 -0.23 0.00 0.00 178.00 179.09 2ayy n GLU 744 N -4.43 2.03 -4.02 0.86 -0.58 -1.26 -0.53 120.64 112.71 2ayy n GLU 744 Ca 0.04 -1.52 -0.29 0.00 -0.42 0.00 0.00 57.16 54.97 2ayy n GLU 744 Cb 0.08 -1.46 -0.05 0.00 -0.57 0.00 0.00 31.44 29.43 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 -1.86 5.79 0.08 1.62 1.11 -0.57 -4.78 116.67 118.06 2ayy s ASP 745 Ca 0.34 0.04 0.08 0.00 0.18 0.00 0.00 52.55 53.19 2ayy s ASP 745 Cb 0.20 -1.62 -0.04 0.00 1.07 0.00 0.00 42.92 42.54 2ayy s ASP 745 CO 0.31 0.14 -0.18 0.68 1.18 0.00 0.00 175.17 177.30 2ayy s VAL 746 N -1.52 2.84 -0.38 -1.27 -7.23 -1.26 -1.38 120.40 110.21 2ayy s VAL 746 Ca 0.31 -1.33 -0.09 0.00 -1.81 0.00 0.00 61.98 59.06 2ayy s VAL 746 Cb -0.12 -2.25 0.04 0.00 0.56 0.00 0.00 36.38 34.62 2ayy s VAL 746 CO 0.24 0.23 0.19 -0.22 -0.31 0.00 0.00 175.10 175.23 2ayy s LEU 747 N -1.77 4.72 -0.39 1.32 0.20 -0.02 -0.87 118.68 121.86 2ayy s LEU 747 Ca 0.16 -1.15 -0.15 0.00 0.69 0.00 0.00 54.13 53.69 2ayy s LEU 747 Cb -0.11 -1.98 0.01 0.00 -0.43 0.00 0.00 46.19 43.69 2ayy s LEU 747 CO 0.08 -0.41 0.31 -0.63 -0.29 0.00 0.00 176.35 175.41 2ayy s ILE 748 N 1.49 5.24 0.09 6.68 -1.09 0.01 -0.58 121.20 133.03 2ayy s ILE 748 Ca 0.01 -0.47 0.07 0.00 -2.23 0.00 0.00 60.65 58.03 2ayy s ILE 748 Cb -0.20 -3.89 -0.03 0.00 -1.58 0.00 0.00 42.46 36.76 2ayy s ILE 748 CO 0.05 -0.24 -0.18 0.42 -1.23 0.00 0.00 174.94 173.75 2ayy s THR 749 N 1.77 1.50 0.03 2.92 -4.23 0.25 -0.66 115.64 117.21 2ayy s THR 749 Ca 0.07 -1.44 -0.07 0.00 -1.18 0.00 0.00 61.69 59.06 2ayy s THR 749 Cb -0.18 -1.38 -0.00 0.00 1.34 0.00 0.00 72.50 72.28 2ayy s THR 749 CO 0.11 -0.10 0.14 -0.62 -0.54 0.00 0.00 174.62 173.60 2ayy s ASP 750 N -1.81 0.08 1.67 3.99 2.15 -1.10 -1.80 116.67 119.85 2ayy s ASP 750 Ca 0.03 -0.37 0.00 0.00 0.43 0.00 0.00 52.55 52.64 2ayy s ASP 750 Cb -0.10 0.24 0.00 0.00 -0.30 0.00 0.00 42.92 42.76 2ayy s ASP 750 CO 0.03 -0.47 0.00 -0.62 -0.17 0.00 0.00 175.17 173.94 2ayy n GLU 751 N 0.98 0.00 -2.77 4.34 -0.58 -1.04 -3.29 120.64 118.28 2ayy n GLU 751 Ca -0.20 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.12 2ayy n GLU 751 Cb 0.58 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.41 2ayy n GLU 751 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2ayy s VAL 752 N 0.00 4.81 0.01 2.62 0.11 -1.26 -4.87 120.40 121.82 2ayy s VAL 752 Ca 0.00 1.86 0.00 0.00 -2.93 0.00 0.00 61.98 60.91 2ayy s VAL 752 Cb 0.00 -4.24 0.00 0.00 -1.53 0.00 0.00 36.38 30.61 2ayy s VAL 752 CO 0.00 -0.01 0.00 0.52 -3.33 0.00 0.00 175.10 172.28 2ayy n VAL 753 N 4.73 0.03 -3.47 2.04 0.31 -1.26 -4.89 118.33 115.83 2ayy n VAL 753 Ca 0.07 0.01 -0.22 0.00 -0.01 0.00 0.00 64.34 64.19 2ayy n VAL 753 Cb 0.48 -0.55 0.06 0.00 -0.91 0.00 0.00 33.84 32.92 2ayy n VAL 753 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2ayy n SER 754 N -2.55 -5.46 -3.53 4.52 7.64 -1.25 -4.99 113.62 108.00 2ayy n SER 754 Ca 0.00 -0.84 -0.18 0.00 1.01 0.00 0.00 58.87 58.86 2ayy n SER 754 Cb 0.00 -4.38 -0.06 0.00 -1.01 0.00 0.00 64.21 58.76 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 -5.20 1.04 0.56 1.43 2.47 -1.10 -4.90 119.74 114.03 2ayy s LYS 755 Ca 0.41 0.30 0.05 0.00 -1.56 0.00 0.00 55.97 55.17 2ayy s LYS 755 Cb -0.10 0.49 0.04 0.00 -1.46 0.00 0.00 37.83 36.81 2ayy s LYS 755 CO 0.79 -0.31 0.39 0.15 0.16 0.00 0.00 175.35 176.53 2ayy s LYS 756 N -1.09 2.24 -0.15 4.03 -0.14 -1.26 -4.74 119.74 118.63 2ayy s LYS 756 Ca -0.10 -2.08 -0.05 0.00 -1.36 0.00 0.00 55.97 52.37 2ayy s LYS 756 Cb -0.00 -2.05 0.07 0.00 -1.68 0.00 0.00 37.83 34.17 2ayy s LYS 756 CO 0.09 -0.65 0.29 -0.46 -0.76 0.00 0.00 175.35 173.87 2ayy s TRP 757 N -2.80 -0.50 -1.17 3.18 -0.11 -1.26 -5.02 118.94 111.25 2ayy s TRP 757 Ca 0.31 1.03 -0.10 0.00 1.22 0.00 0.00 56.10 58.56 2ayy s TRP 757 Cb -0.02 0.01 0.23 0.00 -1.50 0.00 0.00 33.47 32.19 2ayy s TRP 757 CO 0.19 -0.41 1.42 0.94 -4.62 0.00 0.00 176.95 174.48 2ayy n GLN 758 N 5.36 3.68 0.00 5.86 -0.06 -1.26 -4.78 117.38 126.18 2ayy n GLN 758 Ca -0.06 -4.13 0.00 0.00 -2.00 0.00 0.00 57.00 50.81 2ayy n GLN 758 Cb 0.50 -2.76 0.00 0.00 -4.06 0.00 0.00 30.24 23.92 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 2.88 3.93 0.13 1.69 0.00 -1.26 -4.07 105.19 108.49 2ayy n GLY 759 Ca 0.31 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.21 -1.88 1.61 2.43 0.44 -3.46 114.38 113.31 2ayy h ARG 760 Ca 0.00 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2ayy h ARG 760 Cb 0.00 0.05 -0.22 0.00 -0.42 0.00 0.00 29.97 29.38 2ayy h ARG 760 CO 0.00 0.12 0.24 0.00 -1.51 0.00 0.00 179.97 178.83 2ayy s ALA 761 N -4.81 -1.83 -0.30 2.80 0.00 -1.25 -4.51 121.76 111.86 2ayy s ALA 761 Ca -0.15 1.81 -0.04 0.00 0.00 0.00 0.00 51.96 53.59 2ayy s ALA 761 Cb 0.02 -0.95 0.04 0.00 0.00 0.00 0.00 23.12 22.23 2ayy s ALA 761 CO 0.60 -0.32 0.03 0.08 0.00 0.00 0.00 175.76 176.15 2ayy s VAL 762 N -0.10 3.37 -0.30 0.00 1.01 -0.50 -0.84 120.40 123.05 2ayy s VAL 762 Ca -0.02 -1.13 -0.08 0.00 0.00 0.00 0.00 61.98 60.75 2ayy s VAL 762 Cb -0.04 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.49 2ayy s VAL 762 CO 0.01 -0.04 0.12 -0.69 0.00 0.00 0.00 175.10 174.50 2ayy s VAL 763 N 1.35 4.29 -0.23 2.92 1.01 0.25 -0.27 120.40 129.72 2ayy s VAL 763 Ca -0.02 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 2ayy s VAL 763 Cb -0.19 -3.20 0.03 0.00 0.00 0.00 0.00 36.38 33.02 2ayy s VAL 763 CO 0.00 0.07 -0.10 -0.89 0.00 0.00 0.00 175.10 174.17 2ayy s THR 764 N 1.56 2.62 -0.44 3.92 2.01 -0.04 -0.59 115.64 124.68 2ayy s THR 764 Ca 0.04 -1.03 -0.17 0.00 0.31 0.00 0.00 61.69 60.84 2ayy s THR 764 Cb -0.17 -2.28 0.04 0.00 0.01 0.00 0.00 72.50 70.09 2ayy s THR 764 CO 0.04 0.28 0.42 -0.36 -0.69 0.00 0.00 174.62 174.32 2ayy s PHE 765 N 1.30 3.19 0.16 4.92 0.40 -0.75 -1.69 117.98 125.52 2ayy s PHE 765 Ca 0.01 -0.56 -0.21 0.00 -0.60 0.00 0.00 56.93 55.57 2ayy s PHE 765 Cb -0.16 -2.97 0.05 0.00 0.51 0.00 0.00 43.02 40.46 2ayy s PHE 765 CO -0.07 -0.74 0.55 0.00 0.70 0.00 0.00 175.22 175.66 2ayy n ARG 767 N -0.34 2.17 -3.91 0.00 0.00 -1.26 -4.35 116.66 108.97 2ayy n ARG 767 Ca -0.15 -2.04 -0.25 0.00 -0.00 0.00 0.00 57.85 55.41 2ayy n ARG 767 Cb 0.64 -1.25 -0.17 0.00 -0.00 0.00 0.00 32.46 31.68 2ayy n ARG 767 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2ayy s ARG 768 N -1.92 1.18 -0.94 2.89 3.00 -1.26 -5.08 118.95 116.82 2ayy s ARG 768 Ca 0.16 -0.13 -0.22 0.00 -1.00 0.00 0.00 55.73 54.54 2ayy s ARG 768 Cb 0.14 -1.33 0.07 0.00 0.00 0.00 0.00 34.95 33.83 2ayy s ARG 768 CO 0.02 -0.25 1.31 -1.58 0.00 0.00 0.00 175.30 174.79 2ayy s HIS 769 N 1.70 2.67 0.00 5.12 5.65 -1.26 -4.91 115.29 124.26 2ayy s HIS 769 Ca 0.03 -0.88 0.00 0.00 0.25 0.00 0.00 55.06 54.46 2ayy s HIS 769 Cb -0.13 -4.55 0.00 0.00 -1.18 0.00 0.00 32.58 26.72 2ayy s HIS 769 CO -0.06 -1.82 0.00 -0.89 -0.65 0.00 0.00 174.74 171.32 2ayy n ILE 770 N 6.40 0.00 -1.09 0.89 5.41 -1.26 -4.88 119.36 124.83 2ayy n ILE 770 Ca 0.25 0.00 -0.19 0.00 1.00 0.00 0.00 62.75 63.81 2ayy n ILE 770 Cb 0.50 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 39.30 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 3.35 3.63 7.39 0.00 -1.26 -4.89 105.19 118.40 2ayy n GLY 771 Ca 0.00 -1.30 -0.35 0.00 0.00 0.00 0.00 46.02 44.37 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 1.17 4.30 0.01 -0.61 1.01 -1.26 -2.72 121.20 123.11 2ayy s ILE 772 Ca 0.67 -0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.79 2ayy s ILE 772 Cb 0.29 -2.85 -0.08 0.00 0.01 0.00 0.00 42.46 39.83 2ayy s ILE 772 CO -0.02 0.56 1.79 -2.84 0.00 0.00 0.00 174.94 174.43 2ayy s PRO 773 N -0.38 4.16 -0.20 2.79 0.02 -1.26 -4.89 135.00 135.24 2ayy s PRO 773 Ca 0.07 2.41 0.06 0.00 0.02 0.00 0.00 61.00 63.56 2ayy s PRO 773 Cb -0.12 -3.97 0.46 0.00 0.02 0.00 0.00 34.50 30.88 2ayy s PRO 773 CO 0.02 -0.87 1.39 -0.11 -0.33 0.00 0.00 177.00 177.09 2ayy n LEU 774 N 6.97 4.47 0.00 -5.54 7.94 -1.26 -4.12 117.00 125.46 2ayy n LEU 774 Ca 0.18 -2.31 0.00 0.00 -1.11 0.00 0.00 56.01 52.77 2ayy n LEU 774 Cb 0.41 -0.65 0.00 0.00 0.53 0.00 0.00 43.42 43.71 2ayy n LEU 774 CO 0.65 0.63 0.00 1.21 -1.11 0.00 0.00 177.39 178.77 2ayy n GLU 775 N 0.00 0.00 -3.44 1.96 2.13 -1.26 -4.61 120.64 115.43 2ayy n GLU 775 Ca 0.25 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.83 2ayy n GLU 775 Cb 0.99 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.69 2ayy n GLU 775 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2ayy n LYS 776 N 13.92 -3.24 -3.64 5.31 4.76 -1.26 -4.81 118.16 129.19 2ayy n LYS 776 Ca 0.00 0.43 -0.03 0.00 -2.87 0.00 0.00 58.31 55.84 2ayy n LYS 776 Cb 0.00 -5.13 -0.07 0.00 -1.84 0.00 0.00 35.03 27.99 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 -2.93 -2.26 -0.73 7.82 0.00 -1.26 -5.08 121.76 117.32 2ayy s ALA 777 Ca 0.43 2.03 -0.26 0.00 0.00 0.00 0.00 51.96 54.16 2ayy s ALA 777 Cb -0.23 -1.70 -0.09 0.00 0.00 0.00 0.00 23.12 21.11 2ayy s ALA 777 CO 0.52 -0.29 2.23 -1.25 0.00 0.00 0.00 175.76 176.98 2ayy s PRO 778 N 0.87 2.06 0.00 0.00 0.04 -1.26 -1.37 135.00 135.34 2ayy s PRO 778 Ca -0.04 0.51 0.00 0.00 0.04 0.00 0.00 61.00 61.51 2ayy s PRO 778 Cb -0.04 -4.76 0.00 0.00 0.04 0.00 0.00 34.50 29.74 2ayy s PRO 778 CO -0.12 -3.74 0.00 0.41 0.04 0.00 0.00 177.00 173.59 2ayy n GLY 779 N 6.52 0.62 3.53 0.56 0.00 -1.26 -5.06 105.19 110.10 2ayy n GLY 779 Ca 0.40 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.14 2ayy n GLY 779 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ayy s GLU 780 N 0.00 1.94 -0.11 1.61 2.02 -0.47 -1.40 118.70 122.29 2ayy s GLU 780 Ca 0.00 -1.26 -0.03 0.00 0.02 0.00 0.00 54.97 53.69 2ayy s GLU 780 Cb 0.00 -2.12 0.05 0.00 0.10 0.00 0.00 34.13 32.16 2ayy s GLU 780 CO 0.00 0.45 0.14 -1.58 0.02 0.00 0.00 175.26 174.28 2ayy s TRP 781 N -1.54 -0.08 -0.16 1.61 0.52 0.62 -4.52 118.94 115.38 2ayy s TRP 781 Ca 0.23 0.33 -0.02 0.00 0.02 0.00 0.00 56.10 56.66 2ayy s TRP 781 Cb -0.09 -0.39 -0.01 0.00 -1.15 0.00 0.00 33.47 31.82 2ayy s TRP 781 CO 0.13 -0.34 -0.09 0.54 0.02 0.00 0.00 176.95 177.22 2ayy s VAL 782 N 2.25 3.28 -0.01 4.03 0.11 -1.26 -0.86 120.40 127.95 2ayy s VAL 782 Ca 0.04 -0.56 -0.02 0.00 -2.93 0.00 0.00 61.98 58.51 2ayy s VAL 782 Cb -0.13 -2.43 -0.00 0.00 -1.53 0.00 0.00 36.38 32.29 2ayy s VAL 782 CO -0.07 0.49 0.05 -2.28 -3.33 0.00 0.00 175.10 169.96 2ayy s HIS 783 N 0.73 0.04 -0.05 1.54 5.04 -0.68 -4.92 115.29 116.99 2ayy s HIS 783 Ca -0.04 -0.06 -0.30 0.00 -1.54 0.00 0.00 55.06 53.12 2ayy s HIS 783 Cb -0.15 -0.04 -0.06 0.00 0.04 0.00 0.00 32.58 32.37 2ayy s HIS 783 CO 0.02 -0.11 1.65 -1.12 -2.34 0.00 0.00 174.74 172.84 2ayy s SER 784 N -0.57 6.67 -1.38 9.88 0.01 -1.26 -2.33 113.70 124.72 2ayy s SER 784 Ca -0.06 2.24 -0.16 0.00 1.31 0.00 0.00 55.95 59.27 2ayy s SER 784 Cb -0.04 -2.53 0.06 0.00 0.21 0.00 0.00 66.02 63.71 2ayy s SER 784 CO 0.00 -0.92 1.99 0.55 0.41 0.00 0.00 173.24 175.27 2ayy n VAL 785 N 5.46 3.70 -0.12 3.43 3.14 -1.26 -4.52 118.33 128.15 2ayy n VAL 785 Ca 0.17 -3.55 -0.25 0.00 -2.96 0.00 0.00 64.34 57.75 2ayy n VAL 785 Cb 0.43 -2.49 -0.08 0.00 -1.06 0.00 0.00 33.84 30.64 2ayy n VAL 785 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2ayy n ALA 786 N 7.13 1.30 -4.06 1.55 0.00 -1.26 -4.96 120.51 120.21 2ayy n ALA 786 Ca 0.50 -1.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.63 2ayy n ALA 786 Cb 0.42 0.15 -0.16 0.00 0.00 0.00 0.00 19.45 19.86 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 -2.52 2.14 0.45 0.00 0.00 -1.26 -5.01 121.76 115.56 2ayy s ALA 787 Ca -0.35 -1.17 0.19 0.00 0.00 0.00 0.00 51.96 50.64 2ayy s ALA 787 Cb 0.13 -1.20 1.16 0.00 0.00 0.00 0.00 23.12 23.21 2ayy s ALA 787 CO 0.45 -0.53 1.91 -1.35 0.00 0.00 0.00 175.76 176.24 2ayy h PRO 788 N 7.97 0.29 0.00 0.00 0.11 -1.96 -0.90 132.00 137.50 2ayy h PRO 788 Ca -0.37 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2ayy h PRO 788 Cb 1.12 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2ayy h PRO 788 CO 0.56 0.19 0.00 -2.39 -0.21 0.00 0.00 178.00 176.15 2ayy n HIS 789 N -4.45 0.00 0.19 0.65 1.44 -1.26 -1.74 115.22 110.04 2ayy n HIS 789 Ca 0.15 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.93 2ayy n HIS 789 Cb 0.63 -0.43 0.24 0.00 0.12 0.00 0.00 29.99 30.54 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 0.00 0.19 -1.40 4.39 -1.58 -3.15 114.58 113.03 2ayy h GLU 790 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2ayy h GLU 790 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2ayy h GLU 790 CO 0.00 0.32 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.00 2ayy h LEU 791 N 0.00 -0.22 -1.50 1.33 4.07 -1.50 -0.50 115.31 116.99 2ayy h LEU 791 Ca -0.00 -0.28 0.03 0.00 0.08 0.00 0.00 57.88 57.71 2ayy h LEU 791 Cb 1.05 0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.82 2ayy h LEU 791 CO 0.04 0.21 0.37 -0.65 -1.08 0.00 0.00 178.44 177.33 2ayy h PRO 792 N -0.70 0.64 -0.38 1.13 0.11 -1.72 0.29 132.00 131.36 2ayy h PRO 792 Ca -0.03 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.96 2ayy h PRO 792 Cb 0.49 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 2ayy h PRO 792 CO 0.04 0.42 -0.09 0.00 -0.21 0.00 0.00 178.00 178.17 2ayy h ALA 793 N 1.67 0.53 -0.40 -0.75 0.00 -1.51 -1.14 119.26 117.66 2ayy h ALA 793 Ca 0.23 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2ayy h ALA 793 Cb 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2ayy h ALA 793 CO -0.06 0.39 0.09 1.25 0.00 0.00 0.00 179.25 180.92 2ayy h LEU 794 N 0.54 0.60 -0.65 0.00 6.46 -0.48 -0.07 115.31 121.72 2ayy h LEU 794 Ca 0.10 -0.23 0.05 0.00 -0.12 0.00 0.00 57.88 57.68 2ayy h LEU 794 Cb 0.60 -0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 40.32 2ayy h LEU 794 CO 0.04 0.68 0.37 0.25 -0.62 0.00 0.00 178.44 179.15 2ayy h LEU 795 N 0.50 0.55 0.02 2.25 7.12 -0.87 -0.20 115.31 124.67 2ayy h LEU 795 Ca 0.12 0.03 -0.00 0.00 0.13 0.00 0.00 57.88 58.16 2ayy h LEU 795 Cb 0.31 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.36 2ayy h LEU 795 CO 0.00 0.36 -0.01 0.00 -0.13 0.00 0.00 178.44 178.66 2ayy h ALA 796 N 1.33 -0.03 0.00 1.25 0.00 -0.94 -1.43 119.26 119.45 2ayy h ALA 796 Ca 0.29 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2ayy h ALA 796 Cb 0.16 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2ayy h ALA 796 CO -0.17 -0.46 -0.05 0.07 0.00 0.00 0.00 179.25 178.63 2ayy h ARG 797 N -0.14 0.00 0.23 0.00 0.11 -0.48 0.60 114.38 114.70 2ayy h ARG 797 Ca -0.00 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.74 2ayy h ARG 797 Cb 0.13 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.24 2ayy h ARG 797 CO 0.00 0.05 -1.55 0.82 0.10 0.00 0.00 179.97 179.39 2ayy h ILE 798 N 0.00 1.16 -0.49 0.08 2.04 -0.83 -3.35 117.51 116.13 2ayy h ILE 798 Ca -0.00 -2.62 -0.01 0.00 1.00 0.00 0.00 64.86 63.23 2ayy h ILE 798 Cb 0.25 2.95 -0.00 0.00 -0.74 0.00 0.00 36.82 39.28 2ayy h ILE 798 CO 0.01 0.82 0.01 -1.22 0.00 0.00 0.00 178.15 177.77 2ayy n TYR 799 N -3.70 1.79 -3.09 1.37 4.01 -0.56 -4.91 117.16 112.07 2ayy n TYR 799 Ca -0.20 -0.63 -0.13 0.00 -0.16 0.00 0.00 57.90 56.78 2ayy n TYR 799 Cb 1.08 -0.46 0.07 0.00 -0.31 0.00 0.00 39.34 39.72 2ayy n TYR 799 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2ayy n LEU 800 N 0.51 -3.47 -4.37 7.72 7.99 -0.27 -5.01 117.00 120.09 2ayy n LEU 800 Ca 0.24 -0.46 -0.19 0.00 -0.01 0.00 0.00 56.01 55.60 2ayy n LEU 800 Cb 1.06 -2.45 -0.10 0.00 -0.11 0.00 0.00 43.42 41.82 2ayy n LEU 800 CO 0.28 0.30 -0.36 -0.63 -1.51 0.00 0.00 177.39 175.48 2ayy s ILE 801 N -3.27 1.36 -0.20 -0.08 1.01 0.19 -5.00 121.20 115.22 2ayy s ILE 801 Ca 0.04 -2.09 -0.10 0.00 0.00 0.00 0.00 60.65 58.51 2ayy s ILE 801 Cb -0.02 -2.33 -0.08 0.00 0.01 0.00 0.00 42.46 40.04 2ayy s ILE 801 CO 0.54 -0.37 -0.25 -0.62 0.00 0.00 0.00 174.94 174.24 2ayy n GLU 802 N -0.47 0.41 0.00 2.79 1.02 -1.26 -3.43 120.64 119.71 2ayy n GLU 802 Ca -0.06 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 2ayy n GLU 802 Cb 0.63 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 2ayy n GLU 802 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2ayy n MET 803 N -3.88 0.00 -4.17 3.49 2.81 -1.26 -4.86 117.12 109.25 2ayy n MET 803 Ca -0.38 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.35 2ayy n MET 803 Cb 0.77 0.00 -0.11 0.00 -0.71 0.00 0.00 33.22 33.17 2ayy n MET 803 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2ayy s GLU 804 N 0.00 0.83 -0.31 0.03 2.02 -1.26 -5.11 118.70 114.90 2ayy s GLU 804 Ca 0.00 -1.10 -0.11 0.00 0.02 0.00 0.00 54.97 53.78 2ayy s GLU 804 Cb 0.00 -0.61 0.19 0.00 0.10 0.00 0.00 34.13 33.81 2ayy s GLU 804 CO 0.00 0.11 1.07 -1.12 0.02 0.00 0.00 175.26 175.34 2ayy s SER 805 N -2.25 -0.30 -0.04 -0.19 0.01 -1.26 -4.79 113.70 104.88 2ayy s SER 805 Ca 0.03 -0.07 -0.22 0.00 1.31 0.00 0.00 55.95 57.00 2ayy s SER 805 Cb -0.05 0.70 -0.04 0.00 0.21 0.00 0.00 66.02 66.84 2ayy s SER 805 CO 0.01 -0.04 0.65 -0.62 0.41 0.00 0.00 173.24 173.64 2ayy s ASP 806 N 2.37 6.97 -0.37 2.44 2.15 -1.26 -5.05 116.67 123.92 2ayy s ASP 806 Ca 0.20 1.16 -0.07 0.00 0.43 0.00 0.00 52.55 54.28 2ayy s ASP 806 Cb 0.02 -2.39 0.06 0.00 -0.30 0.00 0.00 42.92 40.31 2ayy s ASP 806 CO -0.18 -0.02 0.17 -1.81 -0.17 0.00 0.00 175.17 173.16 2ayy s ASP 807 N 0.38 5.41 0.14 -0.34 1.01 -1.26 -5.08 116.67 116.93 2ayy s ASP 807 Ca 0.34 -1.38 -0.28 0.00 0.71 0.00 0.00 52.55 51.95 2ayy s ASP 807 Cb -0.18 -1.90 -0.07 0.00 1.01 0.00 0.00 42.92 41.78 2ayy s ASP 807 CO 0.17 -0.43 0.86 -2.16 0.21 0.00 0.00 175.17 173.83 2ayy s PRO 808 N 1.38 4.65 -0.81 8.23 0.04 -1.26 -5.00 135.00 142.23 2ayy s PRO 808 Ca 0.01 1.29 -0.25 0.00 0.04 0.00 0.00 61.00 62.09 2ayy s PRO 808 Cb -0.21 -3.32 0.05 0.00 0.04 0.00 0.00 34.50 31.06 2ayy s PRO 808 CO 0.02 0.39 1.25 0.00 0.04 0.00 0.00 177.00 178.70 2ayy s ALA 809 N -0.57 2.85 -0.99 8.56 0.00 -1.26 -4.94 121.76 125.41 2ayy s ALA 809 Ca 0.41 -1.77 -0.08 0.00 0.00 0.00 0.00 51.96 50.52 2ayy s ALA 809 Cb -0.23 -4.24 0.25 0.00 0.00 0.00 0.00 23.12 18.90 2ayy s ALA 809 CO 0.28 -3.25 0.94 1.21 0.00 0.00 0.00 175.76 174.94 2ayy s ASN 810 N 4.02 6.80 0.17 0.00 2.47 -1.26 -5.03 114.94 122.11 2ayy s ASN 810 Ca 0.35 -3.46 -0.23 0.00 0.42 0.00 0.00 52.86 49.94 2ayy s ASN 810 Cb -0.07 -2.11 -0.08 0.00 -1.45 0.00 0.00 41.25 37.53 2ayy s ASN 810 CO 0.06 -0.31 0.73 0.00 -3.72 0.00 0.00 177.10 173.87 2ayy s ALA 811 N -1.02 3.46 -0.22 1.71 0.00 -1.26 -5.06 121.76 119.36 2ayy s ALA 811 Ca 0.27 0.25 -0.06 0.00 0.00 0.00 0.00 51.96 52.43 2ayy s ALA 811 Cb -0.10 -2.87 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 2ayy s ALA 811 CO -0.09 0.32 0.02 -1.17 0.00 0.00 0.00 175.76 174.84 2ayy s LEU 812 N -1.41 3.27 -1.37 0.00 2.96 -1.26 -5.03 118.68 115.85 2ayy s LEU 812 Ca 0.37 -0.24 -0.15 0.00 -0.22 0.00 0.00 54.13 53.89 2ayy s LEU 812 Cb -0.21 -1.85 0.07 0.00 0.50 0.00 0.00 46.19 44.70 2ayy s LEU 812 CO 0.23 0.01 1.98 -0.81 -1.32 0.00 0.00 176.35 176.44 2ayy n PRO 813 N 4.63 3.07 -1.61 0.98 -0.04 -1.26 -4.96 135.00 135.81 2ayy n PRO 813 Ca -0.17 -2.99 -0.43 0.00 -0.04 0.00 0.00 63.50 59.86 2ayy n PRO 813 Cb 0.51 -3.32 -0.03 0.00 -0.04 0.00 0.00 33.50 30.62 2ayy n PRO 813 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2ayy n SER 814 N 6.74 3.38 -1.62 3.54 3.41 -1.26 -4.83 113.62 122.98 2ayy n SER 814 Ca 0.49 0.35 0.06 0.00 -0.26 0.00 0.00 58.87 59.51 2ayy n SER 814 Cb 0.42 -1.54 0.33 0.00 -0.26 0.00 0.00 64.21 63.16 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 7.30 2.18 -0.92 6.66 -1.04 -1.26 -5.35 114.28 121.85 2ayy n THR 815 Ca 0.29 -1.14 0.00 0.00 -2.04 0.00 0.00 64.05 61.16 2ayy n THR 815 Cb 0.43 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 2ayy n THR 815 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76