#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 0.74 0.00 3.03 0.00 -1.26 -5.08 105.19 102.62 2ayy n GLY 697 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.08 0.47 3.68 -0.02 0.00 -1.26 -5.13 105.19 102.86 2ayy n GLY 698 Ca 0.00 -0.01 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 2ayy n GLY 698 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ayy n SER 699 N 0.00 3.44 0.00 1.61 7.64 -1.26 -4.95 113.62 120.10 2ayy n SER 699 Ca 0.00 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.93 2ayy n SER 699 Cb 0.00 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 61.73 2ayy n SER 699 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ayy n GLY 700 N 3.75 5.68 3.27 0.23 0.00 -1.26 -5.16 105.19 111.70 2ayy n GLY 700 Ca 0.18 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 44.40 2ayy n GLY 700 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ayy s VAL 701 N 0.06 2.04 0.02 1.61 0.11 -1.26 -5.13 120.40 117.85 2ayy s VAL 701 Ca 0.00 -1.06 0.03 0.00 -2.93 0.00 0.00 61.98 58.02 2ayy s VAL 701 Cb 0.00 -1.72 -0.04 0.00 -1.53 0.00 0.00 36.38 33.09 2ayy s VAL 701 CO 0.00 0.57 -0.03 -1.83 -3.33 0.00 0.00 175.10 170.47 2ayy s GLU 702 N -0.20 2.63 0.03 1.54 1.03 -1.26 -5.13 118.70 117.34 2ayy s GLU 702 Ca -0.02 -0.70 0.05 0.00 0.03 0.00 0.00 54.97 54.32 2ayy s GLU 702 Cb -0.13 -2.57 -0.02 0.00 -0.80 0.00 0.00 34.13 30.61 2ayy s GLU 702 CO 0.03 0.60 -0.15 0.20 -1.33 0.00 0.00 175.26 174.61 2ayy s GLY 703 N -1.61 0.82 0.12 -3.83 0.00 -1.26 -5.15 107.32 96.41 2ayy s GLY 703 Ca 0.19 -0.81 0.10 0.00 0.00 0.00 0.00 44.72 44.20 2ayy s GLY 703 CO 0.10 -0.75 -0.24 1.08 0.00 0.00 0.00 173.10 173.29 2ayy s LEU 704 N -0.93 2.31 -0.06 0.66 1.02 -1.26 -5.14 118.68 115.28 2ayy s LEU 704 Ca 0.04 -0.72 0.02 0.00 0.02 0.00 0.00 54.13 53.49 2ayy s LEU 704 Cb -0.07 -1.07 0.01 0.00 0.02 0.00 0.00 46.19 45.08 2ayy s LEU 704 CO 0.01 0.13 -0.12 -0.44 0.02 0.00 0.00 176.35 175.95 2ayy s SER 705 N -1.97 1.70 0.00 2.29 0.01 -1.26 -5.14 113.70 109.33 2ayy s SER 705 Ca 0.11 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2ayy s SER 705 Cb -0.10 -0.71 0.00 0.00 0.21 0.00 0.00 66.02 65.42 2ayy s SER 705 CO 0.05 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.36 2ayy n GLY 706 N 3.67 7.08 3.69 3.44 0.00 -1.26 -5.11 105.19 116.70 2ayy n GLY 706 Ca -0.22 -1.96 -0.24 0.00 0.00 0.00 0.00 46.02 43.60 2ayy n GLY 706 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ayy s LYS 707 N 0.65 2.47 0.05 1.61 1.02 -0.21 -5.01 119.74 120.32 2ayy s LYS 707 Ca 0.00 -1.25 0.08 0.00 0.02 0.00 0.00 55.97 54.82 2ayy s LYS 707 Cb 0.00 -2.31 -0.03 0.00 -0.52 0.00 0.00 37.83 34.98 2ayy s LYS 707 CO 0.00 0.40 -0.24 0.50 -0.92 0.00 0.00 175.35 175.09 2ayy s ARG 708 N -3.53 1.60 0.01 1.68 3.00 -1.26 -0.48 118.95 119.97 2ayy s ARG 708 Ca 0.31 -1.05 -0.05 0.00 -1.00 0.00 0.00 55.73 53.94 2ayy s ARG 708 Cb -0.07 -1.76 -0.01 0.00 0.00 0.00 0.00 34.95 33.10 2ayy s ARG 708 CO 0.21 0.45 0.08 0.00 0.00 0.00 0.00 175.30 176.04 2ayy s TRP 710 N -1.52 2.87 -0.12 0.00 0.52 -0.20 -1.12 118.94 119.37 2ayy s TRP 710 Ca -0.14 -0.64 0.02 0.00 0.02 0.00 0.00 56.10 55.35 2ayy s TRP 710 Cb -0.08 -1.90 -0.01 0.00 -1.15 0.00 0.00 33.47 30.33 2ayy s TRP 710 CO 0.00 -0.24 -0.18 -0.48 0.02 0.00 0.00 176.95 176.08 2ayy s LEU 711 N 0.52 2.46 -0.54 2.99 2.34 -0.09 -0.75 118.68 125.60 2ayy s LEU 711 Ca -0.07 -0.42 0.07 0.00 0.06 0.00 0.00 54.13 53.76 2ayy s LEU 711 Cb -0.15 -1.53 0.25 0.00 -0.56 0.00 0.00 46.19 44.20 2ayy s LEU 711 CO 0.04 0.16 0.67 0.00 -1.06 0.00 0.00 176.35 176.16 2ayy n ALA 712 N 3.51 3.43 -2.83 1.48 0.00 0.08 -2.44 120.51 123.75 2ayy n ALA 712 Ca -0.18 -4.23 -0.36 0.00 0.00 0.00 0.00 53.44 48.66 2ayy n ALA 712 Cb 0.53 -0.86 -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 -2.03 5.32 -0.01 0.00 1.01 -1.26 -2.57 120.40 120.86 2ayy s VAL 713 Ca 0.38 0.15 -0.08 0.00 0.00 0.00 0.00 61.98 62.43 2ayy s VAL 713 Cb 0.16 -3.34 -0.30 0.00 0.00 0.00 0.00 36.38 32.90 2ayy s VAL 713 CO -0.05 0.57 0.81 0.03 0.00 0.00 0.00 175.10 176.46 2ayy h ARG 714 N 5.45 0.34 -6.09 2.72 2.47 -1.98 -3.42 114.38 113.87 2ayy h ARG 714 Ca -0.51 -0.59 -0.50 0.00 -1.26 0.00 0.00 59.98 57.13 2ayy h ARG 714 Cb 1.21 0.22 -0.07 0.00 -1.65 0.00 0.00 29.97 29.68 2ayy h ARG 714 CO 0.62 1.24 1.18 1.21 0.56 0.00 0.00 179.97 184.78 2ayy s ASN 715 N -7.18 5.82 0.42 7.04 3.84 -1.26 -4.84 114.94 118.78 2ayy s ASN 715 Ca -0.12 -0.51 0.14 0.00 0.21 0.00 0.00 52.86 52.59 2ayy s ASN 715 Cb 0.06 -2.55 0.92 0.00 -0.55 0.00 0.00 41.25 39.12 2ayy s ASN 715 CO 0.87 -2.07 1.93 0.00 -2.79 0.00 0.00 177.10 175.04 2ayy h ALA 716 N 11.51 1.56 -0.01 1.71 0.00 -1.98 0.34 119.26 132.39 2ayy h ALA 716 Ca -0.10 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2ayy h ALA 716 Cb 1.06 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2ayy h ALA 716 CO 1.28 0.31 -0.00 0.77 0.00 0.00 0.00 179.25 181.62 2ayy h SER 717 N 0.00 0.02 -0.45 0.00 0.02 -1.98 -1.84 113.55 109.32 2ayy h SER 717 Ca -0.00 -0.36 -0.07 0.00 -0.84 0.00 0.00 61.79 60.52 2ayy h SER 717 Cb 0.45 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 2ayy h SER 717 CO 0.03 0.37 0.01 0.25 -1.14 0.00 0.00 176.83 176.36 2ayy h LEU 718 N -0.33 0.77 -1.16 5.07 6.46 -1.88 -2.83 115.31 121.42 2ayy h LEU 718 Ca 0.00 -0.30 0.02 0.00 -0.12 0.00 0.00 57.88 57.48 2ayy h LEU 718 Cb 0.36 -0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 40.04 2ayy h LEU 718 CO 0.00 0.88 0.57 0.00 -0.62 0.00 0.00 178.44 179.28 2ayy h GLN 720 N 1.14 0.88 -0.34 0.00 1.08 -1.24 -0.24 115.11 116.39 2ayy h GLN 720 Ca 0.33 -0.35 -0.05 0.00 -1.45 0.00 0.00 58.65 57.13 2ayy h GLN 720 Cb -0.08 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.30 2ayy h GLN 720 CO -0.08 0.99 0.03 0.35 -0.95 0.00 0.00 178.83 179.17 2ayy h PHE 721 N 0.71 0.61 -0.40 2.96 3.04 -1.13 -2.54 116.94 120.19 2ayy h PHE 721 Ca 0.11 -0.09 -0.10 0.00 3.98 0.00 0.00 57.97 61.86 2ayy h PHE 721 Cb 0.68 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 39.02 2ayy h PHE 721 CO 0.05 0.66 -0.15 1.25 -2.02 0.00 0.00 178.31 178.10 2ayy h LEU 722 N 0.39 0.82 -1.11 0.59 5.85 -0.81 -1.99 115.31 119.04 2ayy h LEU 722 Ca 0.10 -0.39 -0.05 0.00 0.84 0.00 0.00 57.88 58.38 2ayy h LEU 722 Cb 0.39 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2ayy h LEU 722 CO 0.01 1.02 0.03 1.05 -0.34 0.00 0.00 178.44 180.21 2ayy h GLU 723 N 0.61 0.66 -0.22 1.25 4.11 -1.04 -1.36 114.58 118.58 2ayy h GLU 723 Ca 0.09 -0.15 -0.11 0.00 0.07 0.00 0.00 59.36 59.27 2ayy h GLU 723 Cb 0.69 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2ayy h GLU 723 CO 0.05 0.65 -0.32 1.15 0.07 0.00 0.00 179.01 180.61 2ayy h THR 724 N 0.63 1.28 -0.30 -1.06 2.02 -1.30 -2.57 112.91 111.62 2ayy h THR 724 Ca 0.13 -1.40 -0.05 0.00 0.77 0.00 0.00 66.41 65.87 2ayy h THR 724 Cb 0.35 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 2ayy h THR 724 CO 0.01 0.44 0.00 0.28 0.37 0.00 0.00 175.52 176.62 2ayy h SER 725 N 0.39 0.52 0.57 4.18 0.02 -0.50 -2.77 113.55 115.95 2ayy h SER 725 Ca 0.05 -0.31 -0.12 0.00 -0.84 0.00 0.00 61.79 60.57 2ayy h SER 725 Cb 0.76 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 2ayy h SER 725 CO 0.06 0.70 -0.55 0.17 -1.14 0.00 0.00 176.83 176.06 2ayy h LEU 726 N 0.32 0.00 0.00 5.07 8.10 -1.36 -2.41 115.31 125.03 2ayy h LEU 726 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.08 2ayy h LEU 726 Cb 0.43 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.65 2ayy h LEU 726 CO 0.01 0.55 0.00 0.00 -4.11 0.00 0.00 178.44 174.90 2ayy n GLN 727 N -3.87 0.02 0.18 0.17 1.13 -0.97 -2.46 117.38 111.58 2ayy n GLN 727 Ca -0.01 0.18 0.03 0.00 -1.94 0.00 0.00 57.00 55.25 2ayy n GLN 727 Cb 0.56 -1.50 0.31 0.00 0.11 0.00 0.00 30.24 29.72 2ayy n GLN 727 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ayy h ARG 728 N 0.00 0.00 0.00 -1.09 2.47 -1.15 -3.34 114.38 111.27 2ayy h ARG 728 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2ayy h ARG 728 Cb 0.31 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 2ayy h ARG 728 CO 0.00 0.44 -0.26 1.03 0.56 0.00 0.00 179.97 181.74 2ayy h SER 729 N 0.00 0.00 0.00 7.04 0.87 -1.64 -3.49 113.55 116.33 2ayy h SER 729 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2ayy h SER 729 Cb 0.88 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 2ayy h SER 729 CO 0.06 0.47 0.00 0.61 -0.53 0.00 0.00 176.83 177.44 2ayy n GLY 730 N 1.71 0.00 3.09 5.77 0.00 -1.20 -5.09 105.19 109.46 2ayy n GLY 730 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 1.90 -0.39 -0.61 1.01 -1.19 -1.04 121.20 120.87 2ayy s ILE 731 Ca 0.00 -0.84 -0.25 0.00 0.00 0.00 0.00 60.65 59.56 2ayy s ILE 731 Cb 0.00 -1.73 0.02 0.00 0.01 0.00 0.00 42.46 40.76 2ayy s ILE 731 CO 0.00 0.51 0.87 0.54 0.00 0.00 0.00 174.94 176.86 2ayy s VAL 732 N 1.34 4.61 0.27 2.92 0.11 0.37 -4.00 120.40 126.02 2ayy s VAL 732 Ca 0.05 0.92 -0.14 0.00 -2.93 0.00 0.00 61.98 59.88 2ayy s VAL 732 Cb -0.13 -4.31 -0.08 0.00 -1.53 0.00 0.00 36.38 30.32 2ayy s VAL 732 CO -0.12 -0.59 0.66 0.54 -3.33 0.00 0.00 175.10 172.27 2ayy s VAL 733 N 3.40 4.76 -0.09 2.04 0.11 -1.26 -2.08 120.40 127.27 2ayy s VAL 733 Ca 0.35 0.82 -0.12 0.00 -2.93 0.00 0.00 61.98 60.09 2ayy s VAL 733 Cb -0.12 -3.64 0.03 0.00 -1.53 0.00 0.00 36.38 31.12 2ayy s VAL 733 CO 0.20 -0.09 0.32 -0.89 -3.33 0.00 0.00 175.10 171.31 2ayy s THR 734 N -1.86 0.02 0.09 5.04 2.01 -0.28 -4.94 115.64 115.73 2ayy s THR 734 Ca 0.50 -0.13 -0.31 0.00 0.31 0.00 0.00 61.69 62.06 2ayy s THR 734 Cb -0.11 -0.50 -0.09 0.00 0.01 0.00 0.00 72.50 71.81 2ayy s THR 734 CO 0.19 -0.07 1.64 -0.89 -0.69 0.00 0.00 174.62 174.80 2ayy s THR 735 N -0.22 2.93 -0.65 -0.82 2.01 -1.26 -0.91 115.64 116.72 2ayy s THR 735 Ca -0.04 0.47 -0.25 0.00 0.31 0.00 0.00 61.69 62.19 2ayy s THR 735 Cb -0.03 -3.30 0.05 0.00 0.01 0.00 0.00 72.50 69.23 2ayy s THR 735 CO 0.01 0.01 1.07 -0.47 -0.69 0.00 0.00 174.62 174.55 2ayy s TYR 736 N 2.29 2.58 0.00 4.92 5.04 -1.02 -4.84 117.35 126.32 2ayy s TYR 736 Ca 0.73 -0.21 0.00 0.00 -2.44 0.00 0.00 57.07 55.15 2ayy s TYR 736 Cb -0.41 -4.36 0.00 0.00 0.35 0.00 0.00 41.96 37.54 2ayy s TYR 736 CO 0.32 -1.70 0.00 0.39 -1.34 0.00 0.00 175.55 173.22 2ayy n GLU 737 N 8.19 3.16 -1.56 4.97 -0.58 -1.26 -4.87 120.64 128.68 2ayy n GLU 737 Ca 0.00 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.33 2ayy n GLU 737 Cb 0.47 0.00 -0.01 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 4.02 3.65 0.62 0.00 -1.26 -4.87 105.19 112.34 2ayy n GLY 738 Ca 0.00 -1.51 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 2ayy n GLY 738 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ayy s GLN 739 N 3.49 2.07 -0.11 1.61 1.11 -1.26 -5.15 119.66 121.42 2ayy s GLN 739 Ca 0.50 -2.30 -0.05 0.00 0.01 0.00 0.00 55.36 53.53 2ayy s GLN 739 Cb 0.14 -1.13 -0.04 0.00 -1.01 0.00 0.00 33.01 30.97 2ayy s GLN 739 CO -0.05 -0.40 0.08 -1.83 0.01 0.00 0.00 175.29 173.10 2ayy s GLU 740 N -3.80 3.31 0.36 2.91 4.04 -1.26 -5.07 118.70 119.19 2ayy s GLU 740 Ca 0.14 -0.25 -0.28 0.00 0.04 0.00 0.00 54.97 54.62 2ayy s GLU 740 Cb 0.02 -3.04 -0.11 0.00 0.02 0.00 0.00 34.13 31.02 2ayy s GLU 740 CO 0.08 0.71 1.46 -2.30 -1.84 0.00 0.00 175.26 173.37 2ayy n PRO 741 N 2.18 2.57 -4.72 -4.83 -0.02 -1.26 -5.02 135.00 123.90 2ayy n PRO 741 Ca -0.19 0.90 -0.33 0.00 -2.02 0.00 0.00 63.50 61.86 2ayy n PRO 741 Cb 0.54 -2.61 -0.12 0.00 -0.02 0.00 0.00 33.50 31.29 2ayy n PRO 741 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2ayy s THR 742 N -0.99 3.44 -0.75 3.45 2.01 -1.26 -4.73 115.64 116.80 2ayy s THR 742 Ca 0.55 -0.57 0.16 0.00 0.31 0.00 0.00 61.69 62.14 2ayy s THR 742 Cb -0.50 -2.40 0.16 0.00 0.01 0.00 0.00 72.50 69.78 2ayy s THR 742 CO 0.62 0.58 1.51 -2.65 -0.69 0.00 0.00 174.62 173.99 2ayy n PRO 743 N 2.44 0.08 0.00 4.92 -0.02 -1.26 -1.51 135.00 139.65 2ayy n PRO 743 Ca -0.18 0.38 0.07 0.00 -2.02 0.00 0.00 63.50 61.75 2ayy n PRO 743 Cb 0.53 -1.67 0.05 0.00 -0.02 0.00 0.00 33.50 32.39 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 -1.82 1.03 -4.14 -0.52 -0.58 -1.26 -2.86 120.64 110.50 2ayy n GLU 744 Ca 0.02 -1.24 -0.29 0.00 -0.42 0.00 0.00 57.16 55.23 2ayy n GLU 744 Cb 0.16 -1.25 -0.08 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 -1.21 5.03 0.06 1.62 1.11 -0.57 -4.48 116.67 118.24 2ayy s ASP 745 Ca 0.15 -0.22 0.06 0.00 0.18 0.00 0.00 52.55 52.73 2ayy s ASP 745 Cb 0.11 -1.19 -0.04 0.00 1.07 0.00 0.00 42.92 42.88 2ayy s ASP 745 CO 0.19 0.15 -0.11 0.68 1.18 0.00 0.00 175.17 177.26 2ayy s VAL 746 N -1.45 3.30 -0.74 -1.27 -7.23 -1.24 -1.60 120.40 110.18 2ayy s VAL 746 Ca 0.27 -1.11 -0.16 0.00 -1.81 0.00 0.00 61.98 59.17 2ayy s VAL 746 Cb -0.11 -2.48 0.17 0.00 0.56 0.00 0.00 36.38 34.52 2ayy s VAL 746 CO 0.19 0.25 0.74 -0.22 -0.31 0.00 0.00 175.10 175.74 2ayy s LEU 747 N -1.80 6.24 -0.52 1.32 0.20 -0.54 -1.04 118.68 122.55 2ayy s LEU 747 Ca 0.18 -2.23 -0.25 0.00 0.69 0.00 0.00 54.13 52.52 2ayy s LEU 747 Cb -0.11 -2.24 0.03 0.00 -0.43 0.00 0.00 46.19 43.44 2ayy s LEU 747 CO 0.10 -0.77 0.98 -0.63 -0.29 0.00 0.00 176.35 175.73 2ayy s ILE 748 N 1.14 4.36 -0.02 6.68 1.01 0.07 -0.77 121.20 133.67 2ayy s ILE 748 Ca 0.15 0.57 0.06 0.00 0.00 0.00 0.00 60.65 61.44 2ayy s ILE 748 Cb -0.16 -4.53 -0.02 0.00 0.01 0.00 0.00 42.46 37.77 2ayy s ILE 748 CO -0.04 -1.04 -0.21 -0.89 0.00 0.00 0.00 174.94 172.76 2ayy s THR 749 N 4.03 1.65 -0.05 2.92 2.01 0.03 -0.74 115.64 125.49 2ayy s THR 749 Ca 0.35 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.49 2ayy s THR 749 Cb -0.11 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 2ayy s THR 749 CO 0.23 0.47 -0.14 -0.62 -0.69 0.00 0.00 174.62 173.87 2ayy s ASP 750 N -0.46 4.08 0.18 3.53 2.15 -1.06 -1.31 116.67 123.78 2ayy s ASP 750 Ca 0.07 -0.18 0.00 0.00 0.43 0.00 0.00 52.55 52.87 2ayy s ASP 750 Cb -0.08 -0.88 0.00 0.00 -0.30 0.00 0.00 42.92 41.66 2ayy s ASP 750 CO -0.01 0.35 0.00 1.21 -0.17 0.00 0.00 175.17 176.55 2ayy n GLU 751 N 2.31 -1.04 -2.73 4.34 0.00 -0.11 -4.31 120.64 119.10 2ayy n GLU 751 Ca -0.17 0.68 -0.42 0.00 0.00 0.00 0.00 57.16 57.25 2ayy n GLU 751 Cb 0.52 -1.27 -0.03 0.00 0.00 0.00 0.00 31.44 30.66 2ayy n GLU 751 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2ayy s VAL 752 N -1.28 4.87 0.14 6.31 1.01 -1.26 -4.59 120.40 125.60 2ayy s VAL 752 Ca 0.00 2.01 0.02 0.00 0.00 0.00 0.00 61.98 64.01 2ayy s VAL 752 Cb 0.00 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 2ayy s VAL 752 CO 0.00 0.15 -0.03 0.68 0.00 0.00 0.00 175.10 175.90 2ayy s VAL 753 N 1.10 0.69 -0.30 2.92 -7.23 -1.26 -5.04 120.40 111.28 2ayy s VAL 753 Ca 0.51 -1.96 0.11 0.00 -1.81 0.00 0.00 61.98 58.82 2ayy s VAL 753 Cb -0.20 -1.93 0.75 0.00 0.56 0.00 0.00 36.38 35.56 2ayy s VAL 753 CO 0.26 -0.65 1.77 -1.54 -0.31 0.00 0.00 175.10 174.64 2ayy n SER 754 N -0.15 4.92 -4.71 4.85 3.41 -1.26 -4.76 113.62 115.92 2ayy n SER 754 Ca -0.09 -3.18 -0.35 0.00 -0.26 0.00 0.00 58.87 54.99 2ayy n SER 754 Cb 0.62 -0.72 -0.09 0.00 -0.26 0.00 0.00 64.21 63.76 2ayy n SER 754 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2ayy s LYS 755 N -2.96 3.73 0.30 4.33 2.47 -1.26 -5.10 119.74 121.26 2ayy s LYS 755 Ca 0.54 -0.29 0.10 0.00 -1.56 0.00 0.00 55.97 54.76 2ayy s LYS 755 Cb 0.43 -3.17 -0.05 0.00 -1.46 0.00 0.00 37.83 33.59 2ayy s LYS 755 CO 0.13 0.45 -0.02 0.15 0.16 0.00 0.00 175.35 176.23 2ayy s LYS 756 N -0.13 2.14 -0.07 4.03 -0.14 -1.26 -5.06 119.74 119.25 2ayy s LYS 756 Ca 0.08 -1.58 0.03 0.00 -1.36 0.00 0.00 55.97 53.14 2ayy s LYS 756 Cb -0.12 -2.03 -0.02 0.00 -1.68 0.00 0.00 37.83 33.98 2ayy s LYS 756 CO 0.01 0.27 -0.16 -0.46 -0.76 0.00 0.00 175.35 174.25 2ayy s TRP 757 N -2.42 2.68 -0.46 3.18 -0.00 -1.26 -4.98 118.94 115.68 2ayy s TRP 757 Ca 0.33 -0.39 0.05 0.00 -0.00 0.00 0.00 56.10 56.08 2ayy s TRP 757 Cb -0.04 -1.68 0.42 0.00 -0.00 0.00 0.00 33.47 32.16 2ayy s TRP 757 CO 0.19 0.00 1.19 1.04 -0.00 0.00 0.00 176.95 179.38 2ayy n GLN 758 N 2.76 3.39 0.00 5.86 6.02 -1.26 -4.94 117.38 129.20 2ayy n GLN 758 Ca -0.17 -4.41 0.00 0.00 -0.01 0.00 0.00 57.00 52.41 2ayy n GLN 758 Cb 0.52 -2.25 0.00 0.00 1.02 0.00 0.00 30.24 29.53 2ayy n GLN 758 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ayy n GLY 759 N -0.50 3.83 0.07 1.08 0.00 -1.26 -4.47 105.19 103.94 2ayy n GLY 759 Ca 0.41 -0.44 -0.01 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 -0.06 -2.09 1.61 9.65 -1.15 -3.43 114.38 118.91 2ayy h ARG 760 Ca 0.00 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.90 2ayy h ARG 760 Cb 0.00 0.01 -0.18 0.00 -1.39 0.00 0.00 29.97 28.41 2ayy h ARG 760 CO 0.00 -0.04 0.34 0.00 2.80 0.00 0.00 179.97 183.07 2ayy s ALA 761 N -2.73 -1.79 -0.14 2.80 0.00 -1.24 -4.72 121.76 113.94 2ayy s ALA 761 Ca -0.01 1.21 -0.06 0.00 0.00 0.00 0.00 51.96 53.09 2ayy s ALA 761 Cb 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 2ayy s ALA 761 CO 0.03 -0.47 0.09 0.08 0.00 0.00 0.00 175.76 175.48 2ayy s VAL 762 N -1.90 5.05 -0.45 0.00 1.01 -0.77 -1.47 120.40 121.87 2ayy s VAL 762 Ca -0.04 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.02 2ayy s VAL 762 Cb -0.00 -3.21 0.12 0.00 0.00 0.00 0.00 36.38 33.28 2ayy s VAL 762 CO 0.01 0.56 0.18 -0.69 0.00 0.00 0.00 175.10 175.16 2ayy s VAL 763 N -0.52 2.43 -0.28 2.92 1.01 0.05 -0.56 120.40 125.46 2ayy s VAL 763 Ca 0.11 -2.92 -0.09 0.00 0.00 0.00 0.00 61.98 59.08 2ayy s VAL 763 Cb -0.12 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 2ayy s VAL 763 CO 0.02 -0.72 0.14 0.42 0.00 0.00 0.00 175.10 174.95 2ayy s THR 764 N 0.19 4.75 -0.64 3.92 -4.23 -0.94 -0.79 115.64 117.90 2ayy s THR 764 Ca 0.15 -0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 60.48 2ayy s THR 764 Cb -0.23 -3.30 0.17 0.00 1.34 0.00 0.00 72.50 70.47 2ayy s THR 764 CO -0.03 0.22 0.47 -0.36 -0.54 0.00 0.00 174.62 174.38 2ayy s PHE 765 N 1.67 3.45 0.25 3.99 0.08 -0.42 -2.27 117.98 124.73 2ayy s PHE 765 Ca 0.06 -2.61 0.12 0.00 0.12 0.00 0.00 56.93 54.61 2ayy s PHE 765 Cb -0.16 -3.28 -0.05 0.00 -0.57 0.00 0.00 43.02 38.97 2ayy s PHE 765 CO 0.07 -0.86 -0.21 0.00 -0.10 0.00 0.00 175.22 174.12 2ayy n ARG 767 N -0.32 2.20 -3.47 0.00 5.12 -1.26 -3.59 116.66 115.33 2ayy n ARG 767 Ca -0.08 -1.27 -0.10 0.00 -1.93 0.00 0.00 57.85 54.47 2ayy n ARG 767 Cb 0.59 -0.96 -0.02 0.00 -1.16 0.00 0.00 32.46 30.91 2ayy n ARG 767 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2ayy s ARG 768 N -0.78 1.03 0.01 5.56 1.04 -1.26 -5.09 118.95 119.46 2ayy s ARG 768 Ca 0.00 -0.39 -0.00 0.00 -1.04 0.00 0.00 55.73 54.30 2ayy s ARG 768 Cb 0.00 0.47 0.00 0.00 -2.04 0.00 0.00 34.95 33.38 2ayy s ARG 768 CO 0.00 -0.45 0.00 1.58 -0.04 0.00 0.00 175.30 176.39 2ayy n HIS 769 N -0.31 -2.48 -2.84 5.89 -0.00 -1.26 -4.77 115.22 109.45 2ayy n HIS 769 Ca -0.12 1.48 -0.43 0.00 0.46 0.00 0.00 57.72 59.10 2ayy n HIS 769 Cb 0.63 -2.95 -0.03 0.00 -0.12 0.00 0.00 29.99 27.52 2ayy n HIS 769 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 2ayy s ILE 770 N -0.31 4.49 0.05 3.57 1.01 -1.26 -4.61 121.20 124.14 2ayy s ILE 770 Ca -0.00 -1.20 0.00 0.00 0.00 0.00 0.00 60.65 59.45 2ayy s ILE 770 Cb 0.00 -4.82 0.00 0.00 0.01 0.00 0.00 42.46 37.65 2ayy s ILE 770 CO 0.00 -1.59 0.00 0.61 0.00 0.00 0.00 174.94 173.96 2ayy n GLY 771 N 5.74 -0.04 3.77 6.18 0.00 -1.26 -5.07 105.19 114.50 2ayy n GLY 771 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.00 2.81 -0.30 -0.61 -1.09 -1.26 -4.91 121.20 113.84 2ayy s ILE 772 Ca 0.00 0.80 -0.42 0.00 -2.23 0.00 0.00 60.65 58.80 2ayy s ILE 772 Cb 0.00 -3.50 -0.17 0.00 -1.58 0.00 0.00 42.46 37.20 2ayy s ILE 772 CO 0.00 0.18 1.63 -2.65 -1.23 0.00 0.00 174.94 172.87 2ayy n PRO 773 N 0.72 0.75 -1.23 2.79 -0.02 -1.26 -4.82 135.00 131.92 2ayy n PRO 773 Ca 0.01 0.27 -0.21 0.00 -2.02 0.00 0.00 63.50 61.55 2ayy n PRO 773 Cb 0.43 -1.89 -0.11 0.00 -0.02 0.00 0.00 33.50 31.90 2ayy n PRO 773 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2ayy n LEU 774 N 4.53 6.11 0.00 2.45 -0.00 -1.26 -4.73 117.00 124.11 2ayy n LEU 774 Ca 0.27 -3.66 0.00 0.00 -0.00 0.00 0.00 56.01 52.62 2ayy n LEU 774 Cb 0.07 -1.38 0.00 0.00 -0.00 0.00 0.00 43.42 42.12 2ayy n LEU 774 CO 0.81 1.77 0.00 1.21 -0.00 0.00 0.00 177.39 181.18 2ayy n GLU 775 N 2.09 0.00 -3.02 1.47 2.13 -1.26 -4.82 120.64 117.24 2ayy n GLU 775 Ca 0.49 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 58.12 2ayy n GLU 775 Cb 0.70 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.41 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 -3.12 -3.49 5.31 4.76 -1.26 -4.92 118.16 129.44 2ayy n LYS 776 Ca 0.00 0.53 0.00 0.00 -2.87 0.00 0.00 58.31 55.97 2ayy n LYS 776 Cb 0.00 -5.21 -0.05 0.00 -1.84 0.00 0.00 35.03 27.93 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 -2.82 -2.54 -0.62 7.82 0.00 -1.26 -5.10 121.76 117.23 2ayy s ALA 777 Ca 0.25 2.11 -0.26 0.00 0.00 0.00 0.00 51.96 54.07 2ayy s ALA 777 Cb -0.13 -1.93 -0.11 0.00 0.00 0.00 0.00 23.12 20.95 2ayy s ALA 777 CO 0.31 -0.75 2.43 -2.30 0.00 0.00 0.00 175.76 175.45 2ayy n PRO 778 N 4.57 0.81 0.00 0.00 -0.02 -1.26 -2.15 135.00 136.95 2ayy n PRO 778 Ca -0.12 -0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.11 2ayy n PRO 778 Cb 0.54 -3.34 0.00 0.00 -0.02 0.00 0.00 33.50 30.68 2ayy n PRO 778 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ayy n GLY 779 N 6.26 0.50 2.91 -1.23 0.00 -1.26 -5.10 105.19 107.26 2ayy n GLY 779 Ca 0.42 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.27 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 0.60 0.06 1.61 1.03 -0.92 -1.84 118.70 119.24 2ayy s GLU 780 Ca 0.00 -0.12 0.09 0.00 0.03 0.00 0.00 54.97 54.98 2ayy s GLU 780 Cb 0.00 -0.62 -0.03 0.00 -0.80 0.00 0.00 34.13 32.68 2ayy s GLU 780 CO 0.00 -0.00 -0.26 -1.58 -1.33 0.00 0.00 175.26 172.09 2ayy s TRP 781 N 0.50 2.27 0.00 4.83 0.52 0.27 -4.11 118.94 123.23 2ayy s TRP 781 Ca -0.06 -0.40 0.01 0.00 0.02 0.00 0.00 56.10 55.66 2ayy s TRP 781 Cb -0.10 -1.33 -0.00 0.00 -1.15 0.00 0.00 33.47 30.89 2ayy s TRP 781 CO -0.00 0.16 -0.03 0.54 0.02 0.00 0.00 176.95 177.64 2ayy s VAL 782 N -0.86 0.21 0.10 4.03 0.11 -1.26 -2.21 120.40 120.52 2ayy s VAL 782 Ca 0.12 -0.20 -0.27 0.00 -2.93 0.00 0.00 61.98 58.70 2ayy s VAL 782 Cb -0.10 -0.20 0.08 0.00 -1.53 0.00 0.00 36.38 34.63 2ayy s VAL 782 CO 0.03 0.01 1.03 -2.28 -3.33 0.00 0.00 175.10 170.56 2ayy s HIS 783 N -0.20 -0.13 0.06 1.54 5.04 -0.96 -4.94 115.29 115.70 2ayy s HIS 783 Ca -0.00 -0.12 -0.22 0.00 -1.54 0.00 0.00 55.06 53.18 2ayy s HIS 783 Cb -0.02 0.61 -0.06 0.00 0.04 0.00 0.00 32.58 33.15 2ayy s HIS 783 CO -0.00 -0.67 0.66 -1.54 -2.34 0.00 0.00 174.74 170.85 2ayy s SER 784 N -2.90 7.13 -1.24 9.88 1.04 -1.24 -1.48 113.70 124.89 2ayy s SER 784 Ca 0.12 1.34 -0.08 0.00 0.48 0.00 0.00 55.95 57.81 2ayy s SER 784 Cb 0.00 -2.41 -0.11 0.00 0.10 0.00 0.00 66.02 63.60 2ayy s SER 784 CO -0.00 0.15 2.87 0.55 0.98 0.00 0.00 173.24 177.79 2ayy n VAL 785 N 2.25 3.73 0.98 5.02 3.14 -1.25 -4.36 118.33 127.83 2ayy n VAL 785 Ca -0.07 -2.18 0.11 0.00 -2.96 0.00 0.00 64.34 59.24 2ayy n VAL 785 Cb 0.50 -2.42 0.04 0.00 -1.06 0.00 0.00 33.84 30.90 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 3.53 4.20 -3.07 1.55 0.00 -1.26 -4.90 120.51 120.56 2ayy n ALA 786 Ca 0.66 -0.49 -0.12 0.00 0.00 0.00 0.00 53.44 53.49 2ayy n ALA 786 Cb 0.31 -0.92 -0.13 0.00 0.00 0.00 0.00 19.45 18.71 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 -3.01 -0.28 0.45 0.00 0.00 -1.26 -5.04 121.76 112.62 2ayy s ALA 787 Ca 0.09 0.35 0.14 0.00 0.00 0.00 0.00 51.96 52.54 2ayy s ALA 787 Cb 0.17 -0.21 1.01 0.00 0.00 0.00 0.00 23.12 24.09 2ayy s ALA 787 CO 0.80 -0.06 2.01 -1.00 0.00 0.00 0.00 175.76 177.51 2ayy h PRO 788 N 6.10 0.06 0.00 0.00 0.13 -1.98 -2.28 132.00 134.03 2ayy h PRO 788 Ca -0.27 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.83 2ayy h PRO 788 Cb 1.20 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2ayy h PRO 788 CO 0.44 0.18 -0.12 1.12 -0.23 0.00 0.00 178.00 179.39 2ayy h HIS 789 N 0.06 0.00 -0.02 1.56 2.07 -2.00 -3.33 115.15 113.49 2ayy h HIS 789 Ca 0.01 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.56 2ayy h HIS 789 Cb 0.25 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.20 2ayy h HIS 789 CO 0.00 0.12 -0.13 0.93 -3.07 0.00 0.00 177.93 175.78 2ayy h GLU 790 N 0.00 -0.21 0.58 5.12 4.39 -1.80 -0.09 114.58 122.58 2ayy h GLU 790 Ca -0.00 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 2ayy h GLU 790 Cb 0.48 0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.18 2ayy h GLU 790 CO 0.02 -0.14 -0.28 -0.07 -1.16 0.00 0.00 179.01 177.38 2ayy h LEU 791 N -0.22 -0.66 -1.16 1.33 3.38 -1.77 -0.36 115.31 115.85 2ayy h LEU 791 Ca 0.05 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2ayy h LEU 791 Cb 0.28 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2ayy h LEU 791 CO -0.14 -0.34 0.27 1.55 0.09 0.00 0.00 178.44 179.86 2ayy h PRO 792 N -0.98 0.85 -0.18 1.13 0.13 -1.76 -0.25 132.00 130.96 2ayy h PRO 792 Ca -0.08 -0.12 -0.05 0.00 -0.87 0.00 0.00 66.00 64.88 2ayy h PRO 792 Cb 0.65 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 2ayy h PRO 792 CO 0.13 0.68 -0.10 0.00 -0.23 0.00 0.00 178.00 178.48 2ayy h ALA 793 N 1.44 0.25 -0.43 -0.56 0.00 -0.96 -0.56 119.26 118.44 2ayy h ALA 793 Ca 0.21 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2ayy h ALA 793 Cb 0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2ayy h ALA 793 CO -0.02 0.08 -0.06 1.25 0.00 0.00 0.00 179.25 180.50 2ayy h LEU 794 N 0.05 0.71 -0.39 0.00 5.85 -0.94 -1.16 115.31 119.44 2ayy h LEU 794 Ca 0.04 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.57 2ayy h LEU 794 Cb 0.59 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2ayy h LEU 794 CO 0.03 0.82 0.24 0.25 -0.34 0.00 0.00 178.44 179.44 2ayy h LEU 795 N 0.67 0.45 -1.30 2.25 7.12 -0.89 0.45 115.31 124.07 2ayy h LEU 795 Ca 0.12 -0.03 -0.06 0.00 0.13 0.00 0.00 57.88 58.04 2ayy h LEU 795 Cb 0.51 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.51 2ayy h LEU 795 CO 0.03 0.35 -0.15 0.00 -0.13 0.00 0.00 178.44 178.54 2ayy h ALA 796 N 1.12 1.42 -0.24 1.25 0.00 -0.75 -1.09 119.26 120.97 2ayy h ALA 796 Ca 0.14 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 2ayy h ALA 796 Cb -0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2ayy h ALA 796 CO -0.03 0.40 -0.42 -0.09 0.00 0.00 0.00 179.25 179.11 2ayy h ARG 797 N 0.26 0.72 -0.22 0.00 2.43 -0.70 0.32 114.38 117.19 2ayy h ARG 797 Ca 0.05 -0.45 -0.02 0.00 -0.81 0.00 0.00 59.98 58.75 2ayy h ARG 797 Cb 0.44 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2ayy h ARG 797 CO 0.03 1.07 0.05 0.82 -1.51 0.00 0.00 179.97 180.43 2ayy h ILE 798 N 0.45 1.21 -0.01 1.20 2.04 -0.56 -2.84 117.51 119.00 2ayy h ILE 798 Ca 0.02 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.20 2ayy h ILE 798 Cb 1.02 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 2ayy h ILE 798 CO 0.10 0.22 -0.01 -1.22 0.00 0.00 0.00 178.15 177.23 2ayy n TYR 799 N -4.74 0.00 -3.57 1.37 4.01 -0.44 -4.93 117.16 108.85 2ayy n TYR 799 Ca -0.04 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.48 2ayy n TYR 799 Cb 0.17 -0.02 0.05 0.00 -0.31 0.00 0.00 39.34 39.24 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 -0.41 -3.70 0.00 7.72 4.32 -0.41 -4.98 117.00 119.55 2ayy n LEU 800 Ca 0.21 -0.83 0.00 0.00 -0.02 0.00 0.00 56.01 55.37 2ayy n LEU 800 Cb 0.25 -2.76 0.00 0.00 -1.62 0.00 0.00 43.42 39.29 2ayy n LEU 800 CO 0.18 0.35 0.00 -0.38 -1.22 0.00 0.00 177.39 176.32 2ayy n ILE 801 N -4.00 0.00 0.02 -0.08 5.41 1.00 -5.02 119.36 116.68 2ayy n ILE 801 Ca -0.20 0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.66 2ayy n ILE 801 Cb 0.64 -0.39 0.00 0.00 -0.71 0.00 0.00 39.64 39.18 2ayy n ILE 801 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2ayy n GLU 802 N -0.90 0.00 -2.81 0.38 2.13 -1.26 -5.07 120.64 113.11 2ayy n GLU 802 Ca 0.00 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.38 2ayy n GLU 802 Cb 0.00 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.71 2ayy n GLU 802 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 2ayy s MET 803 N -2.00 4.01 -0.34 5.31 -1.94 -1.26 -4.90 119.30 118.17 2ayy s MET 803 Ca 0.00 -2.28 0.02 0.00 -1.71 0.00 0.00 55.69 51.71 2ayy s MET 803 Cb 0.00 -5.23 0.09 0.00 2.01 0.00 0.00 34.83 31.71 2ayy s MET 803 CO 0.00 -1.95 0.07 -1.83 -0.01 0.00 0.00 175.02 171.30 2ayy s GLU 804 N 2.66 1.79 -0.31 2.03 -1.05 -1.26 -4.53 118.70 118.04 2ayy s GLU 804 Ca 0.46 -1.75 -0.29 0.00 -0.15 0.00 0.00 54.97 53.25 2ayy s GLU 804 Cb -0.01 -3.27 -0.01 0.00 -0.44 0.00 0.00 34.13 30.41 2ayy s GLU 804 CO 0.02 -0.90 1.58 -1.54 0.95 0.00 0.00 175.26 175.36 2ayy s SER 805 N 1.19 6.28 0.09 0.83 1.04 -1.26 -4.99 113.70 116.89 2ayy s SER 805 Ca 0.06 1.29 -0.19 0.00 0.48 0.00 0.00 55.95 57.59 2ayy s SER 805 Cb -0.20 -2.53 -0.07 0.00 0.10 0.00 0.00 66.02 63.32 2ayy s SER 805 CO -0.06 -1.40 0.59 -0.62 0.98 0.00 0.00 173.24 172.73 2ayy s ASP 806 N 4.47 7.06 -0.38 7.02 -1.08 -1.26 -4.97 116.67 127.53 2ayy s ASP 806 Ca 0.69 1.28 0.02 0.00 -0.52 0.00 0.00 52.55 54.01 2ayy s ASP 806 Cb -0.20 -2.36 0.15 0.00 -1.46 0.00 0.00 42.92 39.04 2ayy s ASP 806 CO 0.31 0.24 0.26 -0.62 0.52 0.00 0.00 175.17 175.87 2ayy s ASP 807 N -1.21 2.42 -0.10 -0.34 2.15 -1.26 -4.96 116.67 113.37 2ayy s ASP 807 Ca 0.31 -2.52 0.13 0.00 0.43 0.00 0.00 52.55 50.90 2ayy s ASP 807 Cb -0.19 -0.43 0.56 0.00 -0.30 0.00 0.00 42.92 42.56 2ayy s ASP 807 CO 0.20 -0.26 1.42 -0.81 -0.17 0.00 0.00 175.17 175.55 2ayy n PRO 808 N 3.59 3.23 -0.00 4.34 -0.04 -1.26 -4.22 135.00 140.63 2ayy n PRO 808 Ca 0.18 -2.20 0.15 0.00 -0.04 0.00 0.00 63.50 61.60 2ayy n PRO 808 Cb 0.41 -1.80 0.80 0.00 -0.04 0.00 0.00 33.50 32.86 2ayy n PRO 808 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ayy n ALA 809 N 0.74 2.65 -1.25 0.55 0.00 -1.26 -4.35 120.51 117.58 2ayy n ALA 809 Ca 0.20 -0.27 -0.27 0.00 0.00 0.00 0.00 53.44 53.10 2ayy n ALA 809 Cb 0.75 -1.40 -0.09 0.00 0.00 0.00 0.00 19.45 18.71 2ayy n ALA 809 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2ayy n ASN 810 N -0.65 7.15 -0.57 0.00 5.15 -1.26 -4.34 115.26 120.74 2ayy n ASN 810 Ca 0.22 -2.62 0.11 0.00 -0.60 0.00 0.00 54.58 51.69 2ayy n ASN 810 Cb 0.18 -1.47 0.39 0.00 -0.53 0.00 0.00 39.78 38.35 2ayy n ASN 810 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ayy n ALA 811 N 2.81 2.53 -3.26 5.20 0.00 -1.26 -4.96 120.51 121.56 2ayy n ALA 811 Ca 0.61 -0.53 -0.09 0.00 0.00 0.00 0.00 53.44 53.43 2ayy n ALA 811 Cb 0.53 -1.09 0.02 0.00 0.00 0.00 0.00 19.45 18.91 2ayy n ALA 811 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ayy n LEU 812 N 0.35 -5.53 0.33 0.00 4.77 -1.26 -4.97 117.00 110.69 2ayy n LEU 812 Ca 0.17 -0.41 -0.15 0.00 -0.03 0.00 0.00 56.01 55.59 2ayy n LEU 812 Cb 0.35 -2.98 -0.07 0.00 -2.33 0.00 0.00 43.42 38.38 2ayy n LEU 812 CO 0.14 -0.53 0.44 -0.65 -1.33 0.00 0.00 177.39 175.45 2ayy h PRO 813 N -0.17 -0.84 -2.59 3.23 0.11 -1.93 -3.41 132.00 126.39 2ayy h PRO 813 Ca -0.27 0.06 -0.59 0.00 0.11 0.00 0.00 66.00 65.31 2ayy h PRO 813 Cb 1.15 0.19 -0.39 0.00 0.11 0.00 0.00 31.00 32.06 2ayy h PRO 813 CO 0.35 -0.53 -0.86 -1.54 -0.21 0.00 0.00 178.00 175.22 2ayy s SER 814 N -4.55 2.60 -0.12 -2.05 1.04 -1.26 -4.94 113.70 104.42 2ayy s SER 814 Ca -0.15 -2.69 -0.19 0.00 0.48 0.00 0.00 55.95 53.41 2ayy s SER 814 Cb 0.02 -0.59 -0.26 0.00 0.10 0.00 0.00 66.02 65.29 2ayy s SER 814 CO 0.47 -0.24 0.54 0.71 0.98 0.00 0.00 173.24 175.70 2ayy h THR 815 N 4.87 1.14 0.00 2.02 1.35 -2.00 -3.55 112.91 116.74 2ayy h THR 815 Ca 0.13 -2.36 0.00 0.00 -0.55 0.00 0.00 66.41 63.63 2ayy h THR 815 Cb 0.93 2.75 0.00 0.00 -1.73 0.00 0.00 68.15 70.09 2ayy h THR 815 CO 0.37 0.62 0.00 -0.67 -0.25 0.00 0.00 175.52 175.59