#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 -0.47 0.00 3.03 0.00 -1.26 -5.18 105.19 101.31 2ayy n GLY 697 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 0.56 3.82 -0.02 0.00 -1.26 -5.17 105.19 103.13 2ayy n GLY 698 Ca 0.00 -0.98 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 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 5.31 0.00 1.61 0.01 -1.26 -5.11 113.70 114.26 2ayy s SER 699 Ca 0.00 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.84 2ayy s SER 699 Cb 0.00 -1.13 0.00 0.00 0.21 0.00 0.00 66.02 65.10 2ayy s SER 699 CO 0.00 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.06 2ayy n GLY 700 N -1.26 4.13 3.22 3.44 0.00 -1.26 -5.16 105.19 108.31 2ayy n GLY 700 Ca -0.05 -0.40 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.08 -0.15 -0.26 1.61 0.11 -1.26 -5.14 120.40 114.23 2ayy s VAL 701 Ca 0.00 0.13 0.01 0.00 -2.93 0.00 0.00 61.98 59.19 2ayy s VAL 701 Cb 0.00 -0.57 0.05 0.00 -1.53 0.00 0.00 36.38 34.33 2ayy s VAL 701 CO 0.00 0.05 -0.09 -1.61 -3.33 0.00 0.00 175.10 170.13 2ayy s GLU 702 N 1.63 2.42 -0.68 1.54 2.02 -1.26 -5.06 118.70 119.31 2ayy s GLU 702 Ca -0.08 -1.24 -0.05 0.00 0.02 0.00 0.00 54.97 53.62 2ayy s GLU 702 Cb -0.09 -2.95 0.18 0.00 0.10 0.00 0.00 34.13 31.37 2ayy s GLU 702 CO -0.12 -0.53 0.52 0.20 0.02 0.00 0.00 175.26 175.35 2ayy s GLY 703 N 1.18 2.57 -0.80 -1.39 0.00 -1.26 -5.02 107.32 102.60 2ayy s GLY 703 Ca -0.06 -3.32 -0.26 0.00 0.00 0.00 0.00 44.72 41.09 2ayy s GLY 703 CO -0.05 1.14 1.58 1.08 0.00 0.00 0.00 173.10 176.85 2ayy s LEU 704 N -0.10 3.27 0.14 0.66 2.01 -1.26 -4.98 118.68 118.43 2ayy s LEU 704 Ca 0.18 -0.52 -0.02 0.00 0.01 0.00 0.00 54.13 53.78 2ayy s LEU 704 Cb -0.18 -2.55 -0.05 0.00 0.01 0.00 0.00 46.19 43.42 2ayy s LEU 704 CO -0.05 -2.05 0.34 -0.44 1.01 0.00 0.00 176.35 175.16 2ayy s SER 705 N 5.83 6.41 -0.30 2.29 0.01 -1.26 -5.09 113.70 121.59 2ayy s SER 705 Ca 0.51 0.42 -0.14 0.00 1.31 0.00 0.00 55.95 58.06 2ayy s SER 705 Cb -0.07 -2.02 0.17 0.00 0.21 0.00 0.00 66.02 64.31 2ayy s SER 705 CO 0.08 0.05 0.97 -0.83 0.41 0.00 0.00 173.24 173.92 2ayy s GLY 706 N -2.76 -0.27 0.44 3.44 0.00 -1.26 -5.12 107.32 101.79 2ayy s GLY 706 Ca 0.38 2.93 -0.22 0.00 0.00 0.00 0.00 44.72 47.81 2ayy s GLY 706 CO 0.27 3.32 1.06 -1.59 0.00 0.00 0.00 173.10 176.16 2ayy s LYS 707 N 2.55 3.98 -0.01 2.90 -2.85 -1.26 -4.88 119.74 120.18 2ayy s LYS 707 Ca -0.01 1.48 0.03 0.00 -1.00 0.00 0.00 55.97 56.47 2ayy s LYS 707 Cb -0.07 -2.36 -0.03 0.00 -2.06 0.00 0.00 37.83 33.31 2ayy s LYS 707 CO -0.17 -0.29 -0.06 1.03 0.10 0.00 0.00 175.35 175.95 2ayy s ARG 708 N -2.79 2.59 -0.09 1.78 0.52 -1.26 -1.63 118.95 118.06 2ayy s ARG 708 Ca 0.62 -0.69 -0.01 0.00 -0.52 0.00 0.00 55.73 55.13 2ayy s ARG 708 Cb -0.20 -2.52 0.03 0.00 0.52 0.00 0.00 34.95 32.77 2ayy s ARG 708 CO 0.25 0.61 -0.03 0.00 0.02 0.00 0.00 175.30 176.15 2ayy s TRP 710 N 1.81 3.29 -0.17 0.00 0.52 -0.10 -0.72 118.94 123.57 2ayy s TRP 710 Ca 0.04 0.37 -0.03 0.00 0.02 0.00 0.00 56.10 56.50 2ayy s TRP 710 Cb -0.12 -2.46 -0.02 0.00 -1.15 0.00 0.00 33.47 29.72 2ayy s TRP 710 CO -0.06 -0.09 -0.06 -0.48 0.02 0.00 0.00 176.95 176.28 2ayy s LEU 711 N 1.58 3.04 -0.47 2.99 2.34 -0.00 -0.66 118.68 127.49 2ayy s LEU 711 Ca 0.13 -0.25 0.06 0.00 0.06 0.00 0.00 54.13 54.13 2ayy s LEU 711 Cb -0.15 -1.74 0.40 0.00 -0.56 0.00 0.00 46.19 44.14 2ayy s LEU 711 CO 0.08 0.11 1.03 0.00 -1.06 0.00 0.00 176.35 176.51 2ayy n ALA 712 N 3.94 4.69 -2.63 1.48 0.00 0.31 -1.55 120.51 126.75 2ayy n ALA 712 Ca -0.18 -4.31 -0.39 0.00 0.00 0.00 0.00 53.44 48.56 2ayy n ALA 712 Cb 0.52 -0.65 -0.08 0.00 0.00 0.00 0.00 19.45 19.24 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 -4.89 5.15 -0.03 0.00 1.01 -1.25 -2.65 120.40 117.74 2ayy s VAL 713 Ca 0.46 0.71 0.12 0.00 0.00 0.00 0.00 61.98 63.27 2ayy s VAL 713 Cb 0.37 -3.75 -0.11 0.00 0.00 0.00 0.00 36.38 32.89 2ayy s VAL 713 CO -0.15 0.16 1.22 0.03 0.00 0.00 0.00 175.10 176.36 2ayy h ARG 714 N 7.89 0.00 -6.21 2.72 3.08 -1.97 -3.43 114.38 116.47 2ayy h ARG 714 Ca -0.32 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.17 2ayy h ARG 714 Cb 1.16 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.17 2ayy h ARG 714 CO 0.69 0.68 1.29 1.21 -1.07 0.00 0.00 179.97 182.76 2ayy s ASN 715 N -6.44 5.75 0.09 7.04 3.84 -1.26 -4.90 114.94 119.06 2ayy s ASN 715 Ca 0.01 1.03 -0.29 0.00 0.21 0.00 0.00 52.86 53.82 2ayy s ASN 715 Cb 0.09 -2.53 -0.15 0.00 -0.55 0.00 0.00 41.25 38.11 2ayy s ASN 715 CO 0.79 -1.87 1.66 0.00 -2.79 0.00 0.00 177.10 174.89 2ayy h ALA 716 N 13.34 -0.53 -0.77 1.71 0.00 -1.99 0.11 119.26 131.12 2ayy h ALA 716 Ca -0.31 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2ayy h ALA 716 Cb 1.16 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 2ayy h ALA 716 CO 1.08 -0.82 0.45 0.77 0.00 0.00 0.00 179.25 180.74 2ayy h SER 717 N -0.54 0.94 -0.09 0.00 0.02 -1.98 -0.82 113.55 111.08 2ayy h SER 717 Ca -0.03 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2ayy h SER 717 Cb 0.46 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 2ayy h SER 717 CO 0.02 0.74 0.05 0.25 -1.14 0.00 0.00 176.83 176.75 2ayy h LEU 718 N 1.06 0.10 -0.49 5.07 6.46 -1.90 -1.18 115.31 124.44 2ayy h LEU 718 Ca 0.27 -0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 57.93 2ayy h LEU 718 Cb -0.01 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 39.87 2ayy h LEU 718 CO -0.05 0.12 0.10 0.00 -0.62 0.00 0.00 178.44 177.99 2ayy h GLN 720 N 0.67 0.00 -0.00 0.00 3.07 -1.10 0.73 115.11 118.47 2ayy h GLN 720 Ca 0.15 -0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.89 2ayy h GLN 720 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.92 2ayy h GLN 720 CO 0.01 0.57 -0.00 0.35 0.09 0.00 0.00 178.83 179.84 2ayy h PHE 721 N 0.00 0.01 -0.48 0.06 3.04 -0.96 -2.67 116.94 115.93 2ayy h PHE 721 Ca -0.01 -0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.86 2ayy h PHE 721 Cb 1.00 -0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.49 2ayy h PHE 721 CO 0.00 0.40 -0.03 1.25 -2.02 0.00 0.00 178.31 177.91 2ayy h LEU 722 N -0.39 0.87 -0.81 0.59 7.12 -1.06 -2.55 115.31 119.08 2ayy h LEU 722 Ca 0.00 -0.32 -0.07 0.00 0.13 0.00 0.00 57.88 57.61 2ayy h LEU 722 Cb 0.40 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 40.27 2ayy h LEU 722 CO 0.00 0.98 0.08 1.05 -0.13 0.00 0.00 178.44 180.42 2ayy h GLU 723 N 0.73 0.98 -0.45 1.25 4.11 -0.92 -2.47 114.58 117.81 2ayy h GLU 723 Ca 0.13 -0.25 -0.11 0.00 0.07 0.00 0.00 59.36 59.20 2ayy h GLU 723 Cb 0.56 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2ayy h GLU 723 CO 0.03 0.91 -0.18 1.15 0.07 0.00 0.00 179.01 181.00 2ayy h THR 724 N 0.92 1.27 0.07 -1.06 2.02 -1.34 -1.41 112.91 113.39 2ayy h THR 724 Ca 0.18 -1.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.06 2ayy h THR 724 Cb 0.42 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 2ayy h THR 724 CO 0.01 0.45 -0.04 0.77 0.37 0.00 0.00 175.52 177.08 2ayy h SER 725 N 0.77 -0.08 0.99 4.18 4.64 -1.21 -3.12 113.55 119.71 2ayy h SER 725 Ca 0.11 -0.31 -0.09 0.00 -0.47 0.00 0.00 61.79 61.03 2ayy h SER 725 Cb 0.71 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 2ayy h SER 725 CO 0.05 0.27 -0.41 0.17 -0.87 0.00 0.00 176.83 176.04 2ayy h LEU 726 N -0.45 0.00 -1.74 5.97 -0.00 -1.48 -2.82 115.31 114.79 2ayy h LEU 726 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2ayy h LEU 726 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 2ayy h LEU 726 CO 0.02 0.41 0.00 1.56 -0.00 0.00 0.00 178.44 180.43 2ayy h GLN 727 N 0.00 0.00 0.00 0.17 1.08 -1.24 -1.80 115.11 113.33 2ayy h GLN 727 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2ayy h GLN 727 Cb 1.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.45 2ayy h GLN 727 CO 0.05 0.00 0.00 0.54 -0.95 0.00 0.00 178.83 178.47 2ayy n ARG 728 N -3.07 0.08 0.00 1.46 5.12 -1.06 -1.24 116.66 117.95 2ayy n ARG 728 Ca -0.00 0.20 0.12 0.00 -1.93 0.00 0.00 57.85 56.24 2ayy n ARG 728 Cb 0.26 -1.50 0.14 0.00 -1.16 0.00 0.00 32.46 30.20 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 -1.42 1.30 0.00 0.55 2.88 -0.67 -4.94 113.62 111.31 2ayy n SER 729 Ca 0.05 -1.04 0.00 0.00 -1.33 0.00 0.00 58.87 56.55 2ayy n SER 729 Cb 0.16 0.41 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 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 1.42 0.71 3.70 0.46 0.00 -0.37 -5.06 105.19 106.04 2ayy n GLY 730 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.11 4.76 -0.10 -0.61 1.01 -1.26 -4.66 121.20 118.23 2ayy s ILE 731 Ca 0.00 2.00 -0.29 0.00 0.00 0.00 0.00 60.65 62.36 2ayy s ILE 731 Cb 0.00 -4.28 -0.01 0.00 0.01 0.00 0.00 42.46 38.17 2ayy s ILE 731 CO 0.00 0.08 1.00 0.54 0.00 0.00 0.00 174.94 176.56 2ayy s VAL 732 N 1.49 4.80 0.08 2.92 0.11 -0.65 -4.39 120.40 124.76 2ayy s VAL 732 Ca 0.51 2.02 -0.27 0.00 -2.93 0.00 0.00 61.98 61.32 2ayy s VAL 732 Cb -0.20 -4.31 -0.06 0.00 -1.53 0.00 0.00 36.38 30.28 2ayy s VAL 732 CO 0.24 0.02 0.84 0.68 -3.33 0.00 0.00 175.10 173.55 2ayy s VAL 733 N 1.93 4.61 -0.03 2.04 -7.23 -1.26 -1.91 120.40 118.55 2ayy s VAL 733 Ca 0.48 1.81 0.01 0.00 -1.81 0.00 0.00 61.98 62.47 2ayy s VAL 733 Cb -0.18 -4.20 0.02 0.00 0.56 0.00 0.00 36.38 32.57 2ayy s VAL 733 CO 0.18 0.36 -0.04 -0.89 -0.31 0.00 0.00 175.10 174.41 2ayy s THR 734 N -0.13 0.41 -0.08 5.32 2.01 0.11 -4.94 115.64 118.34 2ayy s THR 734 Ca 0.41 -0.10 -0.30 0.00 0.31 0.00 0.00 61.69 62.02 2ayy s THR 734 Cb -0.22 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 2ayy s THR 734 CO 0.26 0.17 1.47 -0.89 -0.69 0.00 0.00 174.62 174.94 2ayy s THR 735 N 0.63 3.84 -0.73 -0.82 2.01 -1.26 -0.82 115.64 118.49 2ayy s THR 735 Ca -0.08 1.07 -0.26 0.00 0.31 0.00 0.00 61.69 62.74 2ayy s THR 735 Cb -0.11 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 2ayy s THR 735 CO -0.00 -0.08 1.78 -0.47 -0.69 0.00 0.00 174.62 175.16 2ayy s TYR 736 N 3.52 1.84 0.00 4.92 5.04 -0.60 -4.83 117.35 127.24 2ayy s TYR 736 Ca 0.65 0.52 0.00 0.00 -2.44 0.00 0.00 57.07 55.80 2ayy s TYR 736 Cb -0.29 -4.19 0.00 0.00 0.35 0.00 0.00 41.96 37.83 2ayy s TYR 736 CO 0.24 -2.11 0.00 0.39 -1.34 0.00 0.00 175.55 172.73 2ayy n GLU 737 N 9.11 3.89 -1.33 4.97 -0.58 -1.26 -4.81 120.64 130.63 2ayy n GLU 737 Ca 0.24 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.55 2ayy n GLU 737 Cb 0.50 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.33 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 5.00 3.05 3.63 0.62 0.00 -1.26 -4.84 105.19 111.39 2ayy n GLY 738 Ca 0.00 -1.35 -0.29 0.00 0.00 0.00 0.00 46.02 44.37 2ayy n GLY 738 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ayy s GLN 739 N 4.53 2.07 0.25 1.61 2.00 -1.26 -5.17 119.66 123.70 2ayy s GLN 739 Ca 0.55 -2.30 0.07 0.00 -2.00 0.00 0.00 55.36 51.68 2ayy s GLN 739 Cb 0.14 -1.03 -0.03 0.00 0.80 0.00 0.00 33.01 32.89 2ayy s GLN 739 CO 0.06 -0.44 0.22 -1.21 -0.50 0.00 0.00 175.29 173.42 2ayy s GLU 740 N -3.78 2.98 0.60 1.67 0.41 -1.26 -5.11 118.70 114.21 2ayy s GLU 740 Ca 0.14 -1.03 -0.15 0.00 -0.41 0.00 0.00 54.97 53.53 2ayy s GLU 740 Cb 0.02 -2.60 -0.03 0.00 -1.78 0.00 0.00 34.13 29.73 2ayy s GLU 740 CO 0.09 0.39 1.05 -1.25 -0.49 0.00 0.00 175.26 175.05 2ayy s PRO 741 N -3.87 3.33 0.02 0.39 0.04 -1.26 -5.09 135.00 128.56 2ayy s PRO 741 Ca 0.33 1.14 0.03 0.00 0.04 0.00 0.00 61.00 62.54 2ayy s PRO 741 Cb -0.08 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 2ayy s PRO 741 CO 0.26 -0.79 -0.08 0.99 0.04 0.00 0.00 177.00 177.41 2ayy s THR 742 N -2.57 0.62 0.51 1.26 2.01 -1.25 -4.94 115.64 111.28 2ayy s THR 742 Ca 0.62 -0.64 0.42 0.00 0.31 0.00 0.00 61.69 62.39 2ayy s THR 742 Cb -0.15 -0.58 0.43 0.00 0.01 0.00 0.00 72.50 72.21 2ayy s THR 742 CO 0.39 -0.04 2.27 1.55 -0.69 0.00 0.00 174.62 178.10 2ayy h PRO 743 N 5.35 0.00 -0.01 4.92 0.13 -1.87 -0.89 132.00 139.64 2ayy h PRO 743 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2ayy h PRO 743 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2ayy h PRO 743 CO 0.46 0.00 -0.34 0.39 -0.23 0.00 0.00 178.00 178.28 2ayy n GLU 744 N -3.04 1.78 -3.66 0.86 -0.58 -1.26 -2.09 120.64 112.65 2ayy n GLU 744 Ca -0.02 -0.72 -0.33 0.00 -0.42 0.00 0.00 57.16 55.67 2ayy n GLU 744 Cb 0.12 -1.24 -0.05 0.00 -0.57 0.00 0.00 31.44 29.70 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 -1.85 6.54 0.01 1.62 1.11 -0.34 -4.59 116.67 119.16 2ayy s ASP 745 Ca 0.12 0.65 0.06 0.00 0.18 0.00 0.00 52.55 53.55 2ayy s ASP 745 Cb 0.12 -2.12 -0.03 0.00 1.07 0.00 0.00 42.92 41.96 2ayy s ASP 745 CO 0.40 0.12 -0.15 0.68 1.18 0.00 0.00 175.17 177.39 2ayy s VAL 746 N -1.53 3.01 -0.54 -1.27 -7.23 -1.23 -1.63 120.40 109.98 2ayy s VAL 746 Ca 0.37 -1.00 -0.12 0.00 -1.81 0.00 0.00 61.98 59.42 2ayy s VAL 746 Cb -0.13 -2.25 0.14 0.00 0.56 0.00 0.00 36.38 34.70 2ayy s VAL 746 CO 0.21 0.41 0.46 -0.22 -0.31 0.00 0.00 175.10 175.65 2ayy s LEU 747 N -1.26 6.00 -0.49 1.32 0.20 -0.53 -0.93 118.68 122.99 2ayy s LEU 747 Ca 0.14 -1.98 -0.21 0.00 0.69 0.00 0.00 54.13 52.78 2ayy s LEU 747 Cb -0.11 -2.11 0.04 0.00 -0.43 0.00 0.00 46.19 43.59 2ayy s LEU 747 CO 0.05 -0.74 0.69 -0.63 -0.29 0.00 0.00 176.35 175.42 2ayy s ILE 748 N 1.29 4.77 0.06 6.68 1.01 0.16 -0.42 121.20 134.75 2ayy s ILE 748 Ca 0.06 -0.16 0.09 0.00 0.00 0.00 0.00 60.65 60.65 2ayy s ILE 748 Cb -0.26 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 37.86 2ayy s ILE 748 CO -0.00 -0.80 -0.24 0.42 0.00 0.00 0.00 174.94 174.32 2ayy s THR 749 N 2.94 2.36 0.02 2.92 -4.23 0.16 -0.53 115.64 119.28 2ayy s THR 749 Ca 0.20 -1.40 0.08 0.00 -1.18 0.00 0.00 61.69 59.39 2ayy s THR 749 Cb -0.16 -1.97 -0.02 0.00 1.34 0.00 0.00 72.50 71.68 2ayy s THR 749 CO 0.16 0.30 -0.24 -0.62 -0.54 0.00 0.00 174.62 173.67 2ayy s ASP 750 N -1.47 2.90 0.50 3.99 2.15 -1.09 -1.47 116.67 122.19 2ayy s ASP 750 Ca 0.13 -0.51 0.00 0.00 0.43 0.00 0.00 52.55 52.60 2ayy s ASP 750 Cb -0.10 -0.29 0.00 0.00 -0.30 0.00 0.00 42.92 42.23 2ayy s ASP 750 CO 0.04 0.26 0.00 1.21 -0.17 0.00 0.00 175.17 176.51 2ayy n GLU 751 N 2.11 0.00 -3.21 4.34 2.13 -0.09 -4.44 120.64 121.48 2ayy n GLU 751 Ca -0.16 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.23 2ayy n GLU 751 Cb 0.52 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.15 2ayy n GLU 751 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2ayy s VAL 752 N 0.00 4.96 -0.15 6.31 1.01 -1.26 -4.55 120.40 126.72 2ayy s VAL 752 Ca 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.09 2ayy s VAL 752 Cb 0.00 -4.07 0.05 0.00 0.00 0.00 0.00 36.38 32.36 2ayy s VAL 752 CO 0.00 -0.39 -0.00 0.68 0.00 0.00 0.00 175.10 175.38 2ayy s VAL 753 N 2.50 0.69 -1.14 2.92 -7.23 -1.26 -5.05 120.40 111.82 2ayy s VAL 753 Ca 0.19 -0.42 -0.19 0.00 -1.81 0.00 0.00 61.98 59.75 2ayy s VAL 753 Cb -0.15 -1.00 0.09 0.00 0.56 0.00 0.00 36.38 35.88 2ayy s VAL 753 CO 0.15 0.02 1.50 -0.44 -0.31 0.00 0.00 175.10 176.03 2ayy s SER 754 N 1.81 6.75 0.00 4.85 0.01 -1.24 -4.41 113.70 121.47 2ayy s SER 754 Ca 0.01 -2.19 0.00 0.00 1.31 0.00 0.00 55.95 55.09 2ayy s SER 754 Cb -0.15 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.56 2ayy s SER 754 CO -0.07 -1.18 0.00 2.29 0.41 0.00 0.00 173.24 174.69 2ayy n LYS 755 N 7.76 0.00 -4.02 12.44 2.85 -1.26 -5.02 118.16 130.91 2ayy n LYS 755 Ca 0.38 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.49 2ayy n LYS 755 Cb 0.47 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.82 2ayy n LYS 755 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2ayy n LYS 756 N 0.00 0.67 -3.68 -1.58 4.81 -1.26 -3.86 118.16 113.26 2ayy n LYS 756 Ca 0.00 -2.88 -0.09 0.00 -0.87 0.00 0.00 58.31 54.47 2ayy n LYS 756 Cb 0.00 2.71 -0.10 0.00 0.02 0.00 0.00 35.03 37.66 2ayy n LYS 756 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 2ayy s TRP 757 N -2.97 -0.73 -0.60 5.64 -0.11 -1.26 -5.02 118.94 113.89 2ayy s TRP 757 Ca 0.31 1.49 -0.03 0.00 1.22 0.00 0.00 56.10 59.08 2ayy s TRP 757 Cb -0.01 0.34 0.16 0.00 -1.50 0.00 0.00 33.47 32.46 2ayy s TRP 757 CO 0.22 -0.41 0.42 -1.14 -4.62 0.00 0.00 176.95 171.41 2ayy s GLN 758 N 1.81 2.51 0.00 5.86 2.00 -1.26 -4.85 119.66 125.73 2ayy s GLN 758 Ca -0.07 -2.45 0.00 0.00 -2.00 0.00 0.00 55.36 50.84 2ayy s GLN 758 Cb -0.09 -3.72 0.00 0.00 0.80 0.00 0.00 33.01 30.00 2ayy s GLN 758 CO -0.14 -1.16 0.00 0.41 -0.50 0.00 0.00 175.29 173.90 2ayy n GLY 759 N 3.62 2.95 0.23 2.59 0.00 -1.26 -3.93 105.19 109.39 2ayy n GLY 759 Ca 0.07 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.47 -1.87 1.61 2.43 -0.74 -3.45 114.38 111.89 2ayy h ARG 760 Ca 0.00 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2ayy h ARG 760 Cb 0.00 0.11 -0.20 0.00 -0.42 0.00 0.00 29.97 29.46 2ayy h ARG 760 CO 0.00 -0.19 0.40 0.00 -1.51 0.00 0.00 179.97 178.67 2ayy s ALA 761 N -4.16 -1.85 -0.29 2.80 0.00 -1.24 -4.65 121.76 112.36 2ayy s ALA 761 Ca -0.11 1.37 -0.05 0.00 0.00 0.00 0.00 51.96 53.17 2ayy s ALA 761 Cb 0.01 -0.25 0.03 0.00 0.00 0.00 0.00 23.12 22.91 2ayy s ALA 761 CO 0.38 -0.40 0.04 0.08 0.00 0.00 0.00 175.76 175.85 2ayy s VAL 762 N -1.52 3.49 -0.60 0.00 1.01 -0.61 -1.46 120.40 120.70 2ayy s VAL 762 Ca -0.04 -0.99 -0.16 0.00 0.00 0.00 0.00 61.98 60.79 2ayy s VAL 762 Cb -0.00 -2.87 0.15 0.00 0.00 0.00 0.00 36.38 33.66 2ayy s VAL 762 CO 0.02 0.02 0.56 -0.69 0.00 0.00 0.00 175.10 175.02 2ayy s VAL 763 N 1.39 5.28 -0.33 2.92 1.01 0.44 -0.05 120.40 131.06 2ayy s VAL 763 Ca -0.00 -1.68 -0.10 0.00 0.00 0.00 0.00 61.98 60.19 2ayy s VAL 763 Cb -0.18 -4.37 0.00 0.00 0.00 0.00 0.00 36.38 31.83 2ayy s VAL 763 CO 0.00 -0.91 0.17 -0.89 0.00 0.00 0.00 175.10 173.46 2ayy s THR 764 N 1.35 4.59 -0.51 3.92 2.01 -0.42 -0.66 115.64 125.91 2ayy s THR 764 Ca 0.06 -0.54 -0.12 0.00 0.31 0.00 0.00 61.69 61.40 2ayy s THR 764 Cb -0.26 -3.40 0.13 0.00 0.01 0.00 0.00 72.50 68.98 2ayy s THR 764 CO 0.01 -0.02 0.43 -0.36 -0.69 0.00 0.00 174.62 173.99 2ayy s PHE 765 N 1.60 3.36 0.08 4.92 0.40 -0.54 -1.76 117.98 126.03 2ayy s PHE 765 Ca 0.04 -1.63 -0.07 0.00 -0.60 0.00 0.00 56.93 54.67 2ayy s PHE 765 Cb -0.18 -3.64 -0.01 0.00 0.51 0.00 0.00 43.02 39.70 2ayy s PHE 765 CO 0.06 -1.00 0.13 0.00 0.70 0.00 0.00 175.22 175.11 2ayy n ARG 767 N -0.02 0.65 -3.91 0.00 5.12 -1.26 -3.37 116.66 113.87 2ayy n ARG 767 Ca -0.15 0.40 -0.32 0.00 -1.93 0.00 0.00 57.85 55.85 2ayy n ARG 767 Cb 0.62 -1.69 -0.13 0.00 -1.16 0.00 0.00 32.46 30.10 2ayy n ARG 767 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2ayy s ARG 768 N -2.46 1.92 0.09 5.56 3.00 -1.26 -5.00 118.95 120.79 2ayy s ARG 768 Ca -0.28 -2.24 -0.31 0.00 -1.00 0.00 0.00 55.73 51.90 2ayy s ARG 768 Cb 0.07 -3.39 -0.07 0.00 0.00 0.00 0.00 34.95 31.56 2ayy s ARG 768 CO 0.65 -1.06 1.34 -3.38 0.00 0.00 0.00 175.30 172.85 2ayy s HIS 769 N 0.36 3.26 -0.27 5.12 -3.43 -1.26 -4.74 115.29 114.34 2ayy s HIS 769 Ca 0.14 1.03 -0.03 0.00 -0.80 0.00 0.00 55.06 55.40 2ayy s HIS 769 Cb -0.22 -3.61 0.09 0.00 -1.43 0.00 0.00 32.58 27.41 2ayy s HIS 769 CO -0.04 -2.09 0.10 0.42 -2.00 0.00 0.00 174.74 171.14 2ayy s ILE 770 N 1.21 0.24 0.00 -5.38 1.01 -1.26 -4.86 121.20 112.16 2ayy s ILE 770 Ca 0.63 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 60.46 2ayy s ILE 770 Cb -0.34 -1.11 0.00 0.00 0.01 0.00 0.00 42.46 41.02 2ayy s ILE 770 CO 0.30 -0.59 0.00 0.61 0.00 0.00 0.00 174.94 175.25 2ayy n GLY 771 N 5.13 3.16 3.79 6.18 0.00 -1.26 -3.71 105.19 118.47 2ayy n GLY 771 Ca -0.05 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.56 2ayy n GLY 771 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ayy s ILE 772 N -0.19 4.92 1.13 -0.61 -1.09 -1.25 -4.68 121.20 119.43 2ayy s ILE 772 Ca 0.00 1.09 -0.12 0.00 -2.23 0.00 0.00 60.65 59.39 2ayy s ILE 772 Cb 0.00 -3.85 0.26 0.00 -1.58 0.00 0.00 42.46 37.29 2ayy s ILE 772 CO 0.00 0.49 1.05 -2.16 -1.23 0.00 0.00 174.94 173.09 2ayy s PRO 773 N -0.60 -0.63 -0.65 2.79 0.04 -1.26 -4.94 135.00 129.75 2ayy s PRO 773 Ca 0.28 0.99 0.01 0.00 0.04 0.00 0.00 61.00 62.32 2ayy s PRO 773 Cb -0.18 -1.58 0.40 0.00 0.04 0.00 0.00 34.50 33.19 2ayy s PRO 773 CO 0.16 -3.57 1.71 1.47 0.04 0.00 0.00 177.00 176.81 2ayy n LEU 774 N -4.83 6.58 0.00 -3.56 -0.00 -1.26 -4.77 117.00 109.17 2ayy n LEU 774 Ca 0.05 -4.81 0.00 0.00 -0.00 0.00 0.00 56.01 51.25 2ayy n LEU 774 Cb 0.54 -0.82 0.00 0.00 -0.00 0.00 0.00 43.42 43.14 2ayy n LEU 774 CO 0.56 1.86 0.00 1.21 -0.00 0.00 0.00 177.39 181.02 2ayy n GLU 775 N -0.62 0.00 -3.65 1.47 2.13 -1.26 -4.72 120.64 113.99 2ayy n GLU 775 Ca 0.51 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 58.06 2ayy n GLU 775 Cb 0.51 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.21 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 13.77 -3.51 -3.64 5.31 4.76 -1.26 -4.81 118.16 128.78 2ayy n LYS 776 Ca 0.00 0.45 -0.07 0.00 -2.87 0.00 0.00 58.31 55.81 2ayy n LYS 776 Cb 0.00 -5.18 -0.07 0.00 -1.84 0.00 0.00 35.03 27.94 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 -3.05 -2.04 -0.75 7.82 0.00 -1.26 -5.06 121.76 117.41 2ayy s ALA 777 Ca 0.52 1.81 -0.19 0.00 0.00 0.00 0.00 51.96 54.10 2ayy s ALA 777 Cb -0.28 -1.50 -0.14 0.00 0.00 0.00 0.00 23.12 21.20 2ayy s ALA 777 CO 0.64 -0.20 1.93 -2.30 0.00 0.00 0.00 175.76 175.83 2ayy n PRO 778 N 1.95 1.53 0.00 0.00 -0.02 -1.26 -2.42 135.00 134.78 2ayy n PRO 778 Ca -0.12 -1.71 0.00 0.00 -2.02 0.00 0.00 63.50 59.65 2ayy n PRO 778 Cb 0.56 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 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 4.39 0.00 3.29 -1.23 0.00 -1.26 -5.02 105.19 105.36 2ayy n GLY 779 Ca 0.47 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.18 1.57 -0.00 1.61 -1.05 -1.02 -1.57 118.70 118.05 2ayy s GLU 780 Ca 0.00 -1.01 0.02 0.00 -0.15 0.00 0.00 54.97 53.84 2ayy s GLU 780 Cb 0.00 -1.70 -0.01 0.00 -0.44 0.00 0.00 34.13 31.98 2ayy s GLU 780 CO 0.00 0.44 -0.08 -1.58 0.95 0.00 0.00 175.26 174.99 2ayy s TRP 781 N -0.79 0.71 0.01 4.83 0.52 0.92 -4.16 118.94 120.98 2ayy s TRP 781 Ca 0.09 -0.16 0.00 0.00 0.02 0.00 0.00 56.10 56.06 2ayy s TRP 781 Cb -0.09 -0.46 -0.01 0.00 -1.15 0.00 0.00 33.47 31.76 2ayy s TRP 781 CO 0.02 -0.01 -0.02 0.54 0.02 0.00 0.00 176.95 177.49 2ayy s VAL 782 N -0.27 0.14 -0.19 4.03 0.11 -1.26 -1.30 120.40 121.66 2ayy s VAL 782 Ca 0.02 -0.48 -0.28 0.00 -2.93 0.00 0.00 61.98 58.31 2ayy s VAL 782 Cb -0.04 -0.20 0.11 0.00 -1.53 0.00 0.00 36.38 34.72 2ayy s VAL 782 CO -0.00 -0.22 0.92 -2.28 -3.33 0.00 0.00 175.10 170.19 2ayy s HIS 783 N -0.71 -0.50 0.02 1.54 5.04 -0.72 -4.94 115.29 115.01 2ayy s HIS 783 Ca -0.07 1.04 -0.30 0.00 -1.54 0.00 0.00 55.06 54.19 2ayy s HIS 783 Cb -0.05 0.39 -0.07 0.00 0.04 0.00 0.00 32.58 32.89 2ayy s HIS 783 CO -0.00 -0.36 1.72 -1.12 -2.34 0.00 0.00 174.74 172.64 2ayy s SER 784 N -0.51 6.59 -1.04 9.88 0.01 -1.24 -0.96 113.70 126.43 2ayy s SER 784 Ca -0.02 2.43 -0.23 0.00 1.31 0.00 0.00 55.95 59.45 2ayy s SER 784 Cb -0.02 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 2ayy s SER 784 CO 0.00 -0.94 1.82 0.54 0.41 0.00 0.00 173.24 175.08 2ayy s VAL 785 N 3.51 3.65 0.00 3.43 0.11 -1.22 -4.28 120.40 125.59 2ayy s VAL 785 Ca 0.77 -0.76 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 2ayy s VAL 785 Cb -0.38 -4.50 0.00 0.00 -1.53 0.00 0.00 36.38 29.97 2ayy s VAL 785 CO 0.33 -1.29 0.09 0.00 -3.33 0.00 0.00 175.10 170.90 2ayy n ALA 786 N 12.39 0.25 -3.15 1.54 0.00 -1.26 -4.81 120.51 125.47 2ayy n ALA 786 Ca 0.41 -0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.81 2ayy n ALA 786 Cb 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.92 2ayy n ALA 786 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ayy s ALA 787 N 0.00 -2.85 -0.30 0.00 0.00 -1.26 -5.02 121.76 112.33 2ayy s ALA 787 Ca 0.00 1.28 0.23 0.00 0.00 0.00 0.00 51.96 53.47 2ayy s ALA 787 Cb 0.00 -2.55 1.11 0.00 0.00 0.00 0.00 23.12 21.68 2ayy s ALA 787 CO 0.00 -1.79 1.69 -2.30 0.00 0.00 0.00 175.76 173.37 2ayy n PRO 788 N 5.35 0.17 0.09 0.00 -0.02 -1.26 -2.54 135.00 136.78 2ayy n PRO 788 Ca 0.04 0.55 0.04 0.00 -2.02 0.00 0.00 63.50 62.12 2ayy n PRO 788 Cb 0.54 -1.94 0.45 0.00 -0.02 0.00 0.00 33.50 32.54 2ayy n PRO 788 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2ayy h HIS 789 N 0.00 0.34 -0.01 6.00 2.76 -1.99 -2.33 115.15 119.92 2ayy h HIS 789 Ca 0.00 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2ayy h HIS 789 Cb 0.16 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.01 2ayy h HIS 789 CO 0.00 0.28 -0.22 0.39 -1.30 0.00 0.00 177.93 177.08 2ayy n GLU 790 N -4.42 0.79 0.04 5.26 1.02 -1.05 -4.12 120.64 118.15 2ayy n GLU 790 Ca 0.01 -0.43 -0.08 0.00 -0.02 0.00 0.00 57.16 56.63 2ayy n GLU 790 Cb 0.13 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.00 2ayy n GLU 790 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2ayy h LEU 791 N 1.05 -0.17 -1.58 -4.62 5.85 -1.58 -2.45 115.31 111.82 2ayy h LEU 791 Ca 0.00 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 2ayy h LEU 791 Cb 0.47 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2ayy h LEU 791 CO 0.00 0.41 -0.10 -0.65 -0.34 0.00 0.00 178.44 177.77 2ayy h PRO 792 N -0.96 0.15 -0.50 5.25 0.11 -1.74 0.22 132.00 134.53 2ayy h PRO 792 Ca -0.02 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.98 2ayy h PRO 792 Cb 0.45 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 2ayy h PRO 792 CO 0.03 0.26 -0.01 0.00 -0.21 0.00 0.00 178.00 178.07 2ayy h ALA 793 N 1.76 0.68 -0.26 -0.75 0.00 -1.72 0.25 119.26 119.22 2ayy h ALA 793 Ca 0.03 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 2ayy h ALA 793 Cb 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2ayy h ALA 793 CO 0.02 0.50 -0.06 1.25 0.00 0.00 0.00 179.25 180.95 2ayy h LEU 794 N 0.76 0.50 -1.15 0.00 5.85 -0.86 -2.69 115.31 117.72 2ayy h LEU 794 Ca 0.14 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.53 2ayy h LEU 794 Cb 0.53 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 2ayy h LEU 794 CO 0.03 0.75 0.58 -0.07 -0.34 0.00 0.00 178.44 179.39 2ayy h LEU 795 N 0.25 0.95 0.05 2.25 -0.00 -0.86 -1.46 115.31 116.50 2ayy h LEU 795 Ca 0.07 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 2ayy h LEU 795 Cb 0.53 -0.22 -0.00 0.00 -0.00 0.00 0.00 40.66 40.97 2ayy h LEU 795 CO 0.03 0.65 -0.04 0.00 -0.00 0.00 0.00 178.44 179.07 2ayy h ALA 796 N 1.48 -0.09 0.00 1.53 0.00 -0.78 -0.32 119.26 121.08 2ayy h ALA 796 Ca 0.35 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 2ayy h ALA 796 Cb 0.03 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2ayy h ALA 796 CO -0.11 -0.56 -0.19 0.07 0.00 0.00 0.00 179.25 178.47 2ayy h ARG 797 N -0.10 0.00 0.00 0.00 0.11 -1.11 0.67 114.38 113.95 2ayy h ARG 797 Ca 0.00 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.97 2ayy h ARG 797 Cb 0.10 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.19 2ayy h ARG 797 CO -0.01 0.19 -0.45 0.82 0.10 0.00 0.00 179.97 180.62 2ayy h ILE 798 N 0.00 1.49 -0.55 0.08 2.04 -0.84 -3.29 117.51 116.44 2ayy h ILE 798 Ca -0.00 -2.05 0.00 0.00 1.00 0.00 0.00 64.86 63.81 2ayy h ILE 798 Cb 0.53 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.32 2ayy h ILE 798 CO 0.03 0.58 0.00 0.00 0.00 0.00 0.00 178.15 178.75 2ayy n TYR 799 N -4.34 1.04 -3.50 1.37 9.36 -0.17 -4.92 117.16 116.00 2ayy n TYR 799 Ca -0.10 -0.44 -0.20 0.00 3.32 0.00 0.00 57.90 60.47 2ayy n TYR 799 Cb 0.60 -0.13 0.08 0.00 -0.63 0.00 0.00 39.34 39.27 2ayy n TYR 799 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2ayy n LEU 800 N 0.99 -3.69 -4.86 2.98 7.99 -0.10 -5.01 117.00 115.31 2ayy n LEU 800 Ca 0.20 -0.57 -0.27 0.00 -0.01 0.00 0.00 56.01 55.36 2ayy n LEU 800 Cb 0.64 -3.05 -0.05 0.00 -0.11 0.00 0.00 43.42 40.86 2ayy n LEU 800 CO 0.17 0.52 -0.18 -0.63 -1.51 0.00 0.00 177.39 175.76 2ayy s ILE 801 N -3.33 4.86 -0.88 -0.08 1.01 0.22 -5.01 121.20 117.98 2ayy s ILE 801 Ca 0.30 -0.84 0.24 0.00 0.00 0.00 0.00 60.65 60.35 2ayy s ILE 801 Cb -0.13 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 38.86 2ayy s ILE 801 CO 0.72 -0.05 1.31 -0.62 0.00 0.00 0.00 174.94 176.30 2ayy n GLU 802 N -0.25 0.10 -1.17 2.79 4.71 -1.26 -4.34 120.64 121.22 2ayy n GLU 802 Ca -0.08 0.02 -0.34 0.00 -0.01 0.00 0.00 57.16 56.75 2ayy n GLU 802 Cb 0.54 -1.55 -0.02 0.00 -1.01 0.00 0.00 31.44 29.40 2ayy n GLU 802 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2ayy n MET 803 N -1.68 2.86 -3.22 3.49 0.00 -1.26 -4.86 117.12 112.45 2ayy n MET 803 Ca 0.04 -1.99 -0.43 0.00 0.00 0.00 0.00 57.70 55.33 2ayy n MET 803 Cb 0.37 -2.77 -0.08 0.00 0.00 0.00 0.00 33.22 30.74 2ayy n MET 803 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 2ayy s GLU 804 N 2.98 3.18 -0.99 3.17 4.04 -1.26 -4.58 118.70 125.25 2ayy s GLU 804 Ca 0.56 -0.59 -0.20 0.00 0.04 0.00 0.00 54.97 54.78 2ayy s GLU 804 Cb 0.15 -3.97 -0.10 0.00 0.02 0.00 0.00 34.13 30.23 2ayy s GLU 804 CO -0.04 -0.94 2.01 0.43 -1.84 0.00 0.00 175.26 174.88 2ayy n SER 805 N 5.92 2.96 -4.59 0.83 7.64 -1.26 -4.90 113.62 120.22 2ayy n SER 805 Ca -0.05 -2.73 -0.40 0.00 1.01 0.00 0.00 58.87 56.71 2ayy n SER 805 Cb 0.47 -1.30 -0.09 0.00 -1.01 0.00 0.00 64.21 62.29 2ayy n SER 805 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2ayy s ASP 806 N 4.51 6.25 -0.02 6.43 2.15 -1.26 -4.92 116.67 129.80 2ayy s ASP 806 Ca 0.55 0.15 0.07 0.00 0.43 0.00 0.00 52.55 53.75 2ayy s ASP 806 Cb 0.14 -2.22 -0.02 0.00 -0.30 0.00 0.00 42.92 40.53 2ayy s ASP 806 CO 0.06 -0.25 -0.23 1.51 -0.17 0.00 0.00 175.17 176.09 2ayy s ASP 807 N 1.67 2.70 0.00 -0.34 -4.77 -1.26 -5.13 116.67 109.53 2ayy s ASP 807 Ca 0.15 -0.42 0.00 0.00 -3.30 0.00 0.00 52.55 48.98 2ayy s ASP 807 Cb -0.16 -0.38 0.00 0.00 -1.09 0.00 0.00 42.92 41.29 2ayy s ASP 807 CO 0.11 0.27 0.00 -0.81 0.70 0.00 0.00 175.17 175.44 2ayy n PRO 808 N 2.61 0.00 -4.13 2.11 -0.04 -1.26 -5.14 135.00 129.15 2ayy n PRO 808 Ca -0.16 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.20 2ayy n PRO 808 Cb 0.52 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.89 2ayy n PRO 808 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ayy s ALA 809 N -3.44 0.76 -0.02 0.55 0.00 -1.26 -5.13 121.76 113.22 2ayy s ALA 809 Ca 0.00 -1.41 -0.30 0.00 0.00 0.00 0.00 51.96 50.25 2ayy s ALA 809 Cb 0.00 0.93 -0.03 0.00 0.00 0.00 0.00 23.12 24.02 2ayy s ALA 809 CO 0.00 -0.53 1.13 1.21 0.00 0.00 0.00 175.76 177.57 2ayy s ASN 810 N -3.05 7.15 -0.98 0.00 3.84 -1.26 -4.97 114.94 115.66 2ayy s ASN 810 Ca 0.25 1.79 -0.16 0.00 0.21 0.00 0.00 52.86 54.95 2ayy s ASN 810 Cb 0.07 -2.57 0.18 0.00 -0.55 0.00 0.00 41.25 38.38 2ayy s ASN 810 CO 0.03 -0.47 1.10 0.00 -2.79 0.00 0.00 177.10 174.97 2ayy s ALA 811 N 1.67 3.82 -0.27 1.71 0.00 -1.26 -5.00 121.76 122.43 2ayy s ALA 811 Ca 0.55 -3.14 -0.25 0.00 0.00 0.00 0.00 51.96 49.11 2ayy s ALA 811 Cb -0.24 -3.89 0.00 0.00 0.00 0.00 0.00 23.12 18.99 2ayy s ALA 811 CO 0.24 -2.69 0.88 -1.17 0.00 0.00 0.00 175.76 173.03 2ayy s LEU 812 N 1.42 4.07 0.28 0.00 2.96 -1.26 -4.92 118.68 121.23 2ayy s LEU 812 Ca 0.31 1.00 0.26 0.00 -0.22 0.00 0.00 54.13 55.47 2ayy s LEU 812 Cb -0.06 -3.26 0.89 0.00 0.50 0.00 0.00 46.19 44.26 2ayy s LEU 812 CO -0.07 -0.61 1.76 -0.65 -1.32 0.00 0.00 176.35 175.45 2ayy h PRO 813 N 7.81 0.00 -3.43 0.98 0.11 -2.06 -3.38 132.00 132.03 2ayy h PRO 813 Ca -0.22 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.20 2ayy h PRO 813 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2ayy h PRO 813 CO 0.91 0.00 3.54 0.43 -0.21 0.00 0.00 178.00 182.68 2ayy n SER 814 N -2.42 6.66 -3.79 -2.05 7.64 -1.26 -4.70 113.62 113.72 2ayy n SER 814 Ca 0.04 -2.68 -0.42 0.00 1.01 0.00 0.00 58.87 56.82 2ayy n SER 814 Cb 0.35 -1.60 0.02 0.00 -1.01 0.00 0.00 64.21 61.97 2ayy n SER 814 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2ayy n THR 815 N 4.23 5.79 -0.25 0.44 5.66 -1.26 -5.28 114.28 123.61 2ayy n THR 815 Ca 0.67 -5.93 0.00 0.00 -3.05 0.00 0.00 64.05 55.74 2ayy n THR 815 Cb 0.30 -1.78 0.00 0.00 -1.55 0.00 0.00 70.33 67.30 2ayy n THR 815 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35