#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ayx n GLY 697 N 0.00 2.96 2.42 -5.12 0.00 -1.26 -4.97 105.19 99.23 2ayx n GLY 697 Ca 0.00 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 2ayx n GLY 697 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ayx n GLY 698 N -1.68 4.38 3.85 -0.02 0.00 -1.26 -4.92 105.19 105.55 2ayx n GLY 698 Ca 0.00 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 44.07 2ayx n GLY 698 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ayx s SER 699 N 2.19 6.71 0.00 1.61 0.01 -1.26 -4.93 113.70 118.03 2ayx s SER 699 Ca 0.63 0.85 0.00 0.00 1.31 0.00 0.00 55.95 58.74 2ayx s SER 699 Cb 0.17 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 64.19 2ayx s SER 699 CO -0.07 0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.47 2ayx n GLY 700 N 1.51 -1.76 3.07 3.44 0.00 -1.26 -5.09 105.19 105.10 2ayx n GLY 700 Ca -0.12 0.49 -0.04 0.00 0.00 0.00 0.00 46.02 46.34 2ayx n GLY 700 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ayx n VAL 701 N -1.44 -9.85 -1.52 1.61 0.31 -1.26 -4.32 118.33 101.85 2ayx n VAL 701 Ca 0.00 0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 63.93 2ayx n VAL 701 Cb 0.00 -6.71 -0.03 0.00 -0.91 0.00 0.00 33.84 26.19 2ayx n VAL 701 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2ayx n GLU 702 N -1.48 2.21 -0.08 5.55 4.71 -1.26 -3.77 120.64 126.53 2ayx n GLU 702 Ca 0.00 -2.29 -0.14 0.00 -0.01 0.00 0.00 57.16 54.72 2ayx n GLU 702 Cb 0.51 -3.15 -0.09 0.00 -1.01 0.00 0.00 31.44 27.69 2ayx n GLU 702 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 2ayx h GLY 703 N 12.13 0.00 -5.02 0.62 0.00 -1.79 -3.50 103.07 105.51 2ayx h GLY 703 Ca 0.48 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.65 2ayx h GLY 703 CO 1.88 0.00 -0.56 1.04 0.00 0.00 0.00 176.54 178.90 2ayx n LEU 704 N -4.56 -5.24 -4.20 3.11 4.77 0.66 -4.50 117.00 107.04 2ayx n LEU 704 Ca -0.17 -0.48 -0.23 0.00 -0.03 0.00 0.00 56.01 55.11 2ayx n LEU 704 Cb 0.47 -2.79 -0.13 0.00 -2.33 0.00 0.00 43.42 38.64 2ayx n LEU 704 CO 0.21 -0.13 -0.49 -0.44 -1.33 0.00 0.00 177.39 175.21 2ayx s SER 705 N -3.22 2.06 0.00 -1.43 0.01 -0.97 -1.67 113.70 108.48 2ayx s SER 705 Ca 0.30 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.05 2ayx s SER 705 Cb -0.04 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.04 2ayx s SER 705 CO 0.62 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.96 2ayx n GLY 706 N 1.79 2.63 3.81 3.44 0.00 -0.15 -4.75 105.19 111.96 2ayx n GLY 706 Ca -0.18 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 2ayx n GLY 706 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ayx s LYS 707 N 0.00 3.36 0.09 1.61 -0.14 -1.26 -4.73 119.74 118.68 2ayx s LYS 707 Ca 0.00 1.12 -0.03 0.00 -1.36 0.00 0.00 55.97 55.70 2ayx s LYS 707 Cb 0.00 -2.04 -0.05 0.00 -1.68 0.00 0.00 37.83 34.06 2ayx s LYS 707 CO 0.00 -0.77 0.29 1.03 -0.76 0.00 0.00 175.35 175.15 2ayx s ARG 708 N -4.25 3.54 -0.03 1.68 1.81 -1.26 -0.93 118.95 119.50 2ayx s ARG 708 Ca 0.62 -0.23 0.01 0.00 -1.72 0.00 0.00 55.73 54.41 2ayx s ARG 708 Cb -0.15 -2.96 0.02 0.00 -0.45 0.00 0.00 34.95 31.42 2ayx s ARG 708 CO 0.39 0.55 -0.04 0.00 -0.68 0.00 0.00 175.30 175.52 2ayx s TRP 710 N 0.71 3.15 -0.03 0.00 0.52 -0.97 -0.88 118.94 121.44 2ayx s TRP 710 Ca -0.09 -0.18 0.07 0.00 0.02 0.00 0.00 56.10 55.92 2ayx s TRP 710 Cb -0.12 -2.16 -0.02 0.00 -1.15 0.00 0.00 33.47 30.02 2ayx s TRP 710 CO 0.00 -0.12 -0.25 -0.48 0.02 0.00 0.00 176.95 176.12 2ayx s LEU 711 N 1.03 2.05 -0.57 2.99 2.34 -0.69 -0.87 118.68 124.97 2ayx s LEU 711 Ca 0.04 -0.47 0.06 0.00 0.06 0.00 0.00 54.13 53.83 2ayx s LEU 711 Cb -0.14 -1.31 0.27 0.00 -0.56 0.00 0.00 46.19 44.45 2ayx s LEU 711 CO 0.03 0.30 0.75 0.00 -1.06 0.00 0.00 176.35 176.37 2ayx n ALA 712 N 2.57 3.80 -3.88 1.48 0.00 0.27 -0.85 120.51 123.90 2ayx n ALA 712 Ca -0.16 -4.45 -0.31 0.00 0.00 0.00 0.00 53.44 48.52 2ayx n ALA 712 Cb 0.51 -0.85 -0.16 0.00 0.00 0.00 0.00 19.45 18.95 2ayx n ALA 712 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ayx s VAL 713 N -2.66 1.80 -0.14 0.00 1.01 -1.26 -2.48 120.40 116.67 2ayx s VAL 713 Ca 0.41 -0.80 0.16 0.00 0.00 0.00 0.00 61.98 61.75 2ayx s VAL 713 Cb 0.19 -1.64 -0.07 0.00 0.00 0.00 0.00 36.38 34.87 2ayx s VAL 713 CO -0.06 0.50 1.04 0.03 0.00 0.00 0.00 175.10 176.61 2ayx h ARG 714 N 7.70 0.00 -6.06 2.72 3.08 -1.97 -3.45 114.38 116.41 2ayx h ARG 714 Ca -0.37 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.15 2ayx h ARG 714 Cb 1.16 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 2ayx h ARG 714 CO 0.55 0.35 1.36 -0.80 -1.07 0.00 0.00 179.97 180.36 2ayx s ASN 715 N -5.99 5.44 0.19 7.04 0.01 -1.26 -4.87 114.94 115.51 2ayx s ASN 715 Ca -0.01 0.88 -0.12 0.00 -0.71 0.00 0.00 52.86 52.91 2ayx s ASN 715 Cb 0.08 -2.52 0.12 0.00 0.41 0.00 0.00 41.25 39.34 2ayx s ASN 715 CO 0.79 -2.14 1.85 0.00 -1.51 0.00 0.00 177.10 176.09 2ayx h ALA 716 N 14.61 0.84 -0.79 0.60 0.00 -1.98 0.29 119.26 132.83 2ayx h ALA 716 Ca -0.29 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 2ayx h ALA 716 Cb 1.18 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2ayx h ALA 716 CO 1.12 0.29 0.33 0.66 0.00 0.00 0.00 179.25 181.65 2ayx h SER 717 N 0.90 1.07 -0.01 0.00 4.64 -1.99 -0.12 113.55 118.04 2ayx h SER 717 Ca 0.24 -0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 2ayx h SER 717 Cb -0.06 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 61.75 2ayx h SER 717 CO -0.05 0.94 -0.03 0.25 -0.87 0.00 0.00 176.83 177.07 2ayx h LEU 718 N 1.14 0.04 -0.66 5.97 6.46 -1.65 -2.57 115.31 124.05 2ayx h LEU 718 Ca 0.26 -0.65 -0.07 0.00 -0.12 0.00 0.00 57.88 57.31 2ayx h LEU 718 Cb 0.20 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 2ayx h LEU 718 CO -0.02 0.69 0.14 0.00 -0.62 0.00 0.00 178.44 178.62 2ayx h GLN 720 N 1.00 1.16 -0.23 0.00 4.15 -1.08 -0.07 115.11 120.03 2ayx h GLN 720 Ca 0.21 -0.21 0.03 0.00 0.77 0.00 0.00 58.65 59.44 2ayx h GLN 720 Cb 0.39 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 2ayx h GLN 720 CO 0.01 0.94 0.06 0.35 -1.93 0.00 0.00 178.83 178.25 2ayx h PHE 721 N 1.12 0.10 -0.09 3.99 3.04 -1.19 -1.47 116.94 122.43 2ayx h PHE 721 Ca 0.26 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.20 2ayx h PHE 721 Cb 0.22 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 38.71 2ayx h PHE 721 CO 0.02 0.04 -0.03 -0.07 -2.02 0.00 0.00 178.31 176.25 2ayx h LEU 722 N 0.15 0.19 -0.51 0.59 3.38 -1.22 -2.75 115.31 115.14 2ayx h LEU 722 Ca 0.10 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 2ayx h LEU 722 Cb 0.09 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2ayx h LEU 722 CO -0.12 0.53 0.24 1.05 0.09 0.00 0.00 178.44 180.22 2ayx h GLU 723 N -0.15 0.74 -0.65 1.13 -0.00 -0.90 -1.64 114.58 113.11 2ayx h GLU 723 Ca 0.02 -0.11 -0.07 0.00 -0.00 0.00 0.00 59.36 59.20 2ayx h GLU 723 Cb 0.45 -0.13 -0.03 0.00 -0.00 0.00 0.00 28.75 29.04 2ayx h GLU 723 CO 0.01 0.63 0.12 1.15 -0.00 0.00 0.00 179.01 180.92 2ayx h THR 724 N 0.68 1.26 -0.17 -1.06 2.02 -1.33 0.20 112.91 114.51 2ayx h THR 724 Ca 0.17 -1.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.30 2ayx h THR 724 Cb 0.14 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 2ayx h THR 724 CO -0.02 0.37 -0.18 0.28 0.37 0.00 0.00 175.52 176.35 2ayx h SER 725 N 1.00 0.28 0.05 4.18 0.02 -1.13 -1.03 113.55 116.91 2ayx h SER 725 Ca 0.20 -0.07 -0.11 0.00 -0.84 0.00 0.00 61.79 60.97 2ayx h SER 725 Cb 0.41 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2ayx h SER 725 CO 0.01 0.48 -0.53 -0.07 -1.14 0.00 0.00 176.83 175.58 2ayx h LEU 726 N 0.27 0.16 -1.51 5.07 3.38 -0.89 -3.34 115.31 118.46 2ayx h LEU 726 Ca 0.05 -0.91 -0.04 0.00 0.09 0.00 0.00 57.88 57.07 2ayx h LEU 726 Cb 0.47 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2ayx h LEU 726 CO 0.03 1.23 -0.20 0.06 0.09 0.00 0.00 178.44 179.65 2ayx h GLN 727 N -0.76 0.00 -0.10 1.13 3.07 -0.78 -1.63 115.11 116.03 2ayx h GLN 727 Ca -0.12 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.58 2ayx h GLN 727 Cb 1.29 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.84 2ayx h GLN 727 CO 0.02 0.20 -0.14 -0.09 0.09 0.00 0.00 178.83 178.91 2ayx h ARG 728 N 0.00 0.16 0.00 0.06 2.43 -1.30 -3.16 114.38 112.57 2ayx h ARG 728 Ca -0.00 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.01 2ayx h ARG 728 Cb 0.55 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 2ayx h ARG 728 CO 0.03 0.31 -0.68 0.77 -1.51 0.00 0.00 179.97 178.89 2ayx h SER 729 N 0.15 0.00 0.00 -3.80 0.02 -1.47 -3.49 113.55 104.96 2ayx h SER 729 Ca 0.03 -0.64 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 2ayx h SER 729 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 2ayx h SER 729 CO 0.02 1.22 0.00 0.61 -1.14 0.00 0.00 176.83 177.54 2ayx n GLY 730 N 1.53 -0.02 3.62 -3.77 0.00 -0.69 -4.47 105.19 101.39 2ayx n GLY 730 Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 2ayx n GLY 730 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ayx s ILE 731 N 0.00 4.07 -0.31 -0.61 1.01 -0.67 -0.97 121.20 123.71 2ayx s ILE 731 Ca 0.00 1.19 -0.29 0.00 0.00 0.00 0.00 60.65 61.55 2ayx s ILE 731 Cb 0.00 -4.14 -0.00 0.00 0.01 0.00 0.00 42.46 38.33 2ayx s ILE 731 CO 0.00 -0.52 1.38 0.54 0.00 0.00 0.00 174.94 176.34 2ayx s VAL 732 N 4.62 4.01 0.07 2.92 0.11 -0.11 -2.78 120.40 129.25 2ayx s VAL 732 Ca 0.58 1.12 -0.23 0.00 -2.93 0.00 0.00 61.98 60.52 2ayx s VAL 732 Cb -0.17 -4.09 -0.06 0.00 -1.53 0.00 0.00 36.38 30.53 2ayx s VAL 732 CO 0.25 -0.50 0.71 0.68 -3.33 0.00 0.00 175.10 172.91 2ayx s VAL 733 N 4.75 4.66 -0.08 2.04 -7.23 -1.26 -1.50 120.40 121.79 2ayx s VAL 733 Ca 0.60 1.52 -0.06 0.00 -1.81 0.00 0.00 61.98 62.23 2ayx s VAL 733 Cb -0.17 -4.06 0.02 0.00 0.56 0.00 0.00 36.38 32.73 2ayx s VAL 733 CO 0.26 0.44 0.20 -0.89 -0.31 0.00 0.00 175.10 174.80 2ayx s THR 734 N -0.53 -0.01 0.10 5.32 2.01 -0.06 -4.93 115.64 117.55 2ayx s THR 734 Ca 0.35 0.04 -0.31 0.00 0.31 0.00 0.00 61.69 62.08 2ayx s THR 734 Cb -0.21 -0.29 -0.10 0.00 0.01 0.00 0.00 72.50 71.92 2ayx s THR 734 CO 0.22 0.02 1.80 -0.89 -0.69 0.00 0.00 174.62 175.07 2ayx s THR 735 N 0.36 2.68 0.17 -0.82 2.01 -1.26 -1.70 115.64 117.09 2ayx s THR 735 Ca -0.02 0.15 -0.14 0.00 0.31 0.00 0.00 61.69 61.99 2ayx s THR 735 Cb -0.04 -3.10 0.07 0.00 0.01 0.00 0.00 72.50 69.45 2ayx s THR 735 CO -0.02 -0.00 1.75 0.22 -0.69 0.00 0.00 174.62 175.88 2ayx h TYR 736 N 8.65 0.27 0.00 4.92 3.20 -1.29 -3.45 116.97 129.27 2ayx h TYR 736 Ca -0.45 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.44 2ayx h TYR 736 Cb 1.21 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.43 2ayx h TYR 736 CO 0.80 0.09 0.00 -1.91 -1.64 0.00 0.00 178.16 175.50 2ayx n GLU 737 N -5.02 0.00 -2.09 1.82 2.13 -1.26 -0.70 120.64 115.52 2ayx n GLU 737 Ca 0.04 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.77 2ayx n GLU 737 Cb 0.18 0.00 0.05 0.00 0.27 0.00 0.00 31.44 31.94 2ayx n GLU 737 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ayx n GLY 738 N 0.00 3.94 0.98 8.31 0.00 -1.26 -5.08 105.19 112.08 2ayx n GLY 738 Ca 0.00 -1.71 -0.07 0.00 0.00 0.00 0.00 46.02 44.24 2ayx n GLY 738 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ayx n GLN 739 N -0.58 -0.07 -3.22 1.61 3.00 0.13 -5.04 117.38 113.20 2ayx n GLN 739 Ca 0.23 -0.58 -0.39 0.00 -0.01 0.00 0.00 57.00 56.25 2ayx n GLN 739 Cb 0.89 -0.29 -0.06 0.00 0.00 0.00 0.00 30.24 30.79 2ayx n GLN 739 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2ayx s GLU 740 N -3.51 4.28 -0.05 -1.09 2.02 -1.26 -5.04 118.70 114.05 2ayx s GLU 740 Ca 0.18 0.52 -0.30 0.00 0.02 0.00 0.00 54.97 55.40 2ayx s GLU 740 Cb -0.01 -3.50 -0.04 0.00 0.10 0.00 0.00 34.13 30.67 2ayx s GLU 740 CO 0.13 -0.03 1.39 -1.25 0.02 0.00 0.00 175.26 175.51 2ayx s PRO 741 N 1.22 4.27 -0.14 0.39 0.04 -1.26 -5.03 135.00 134.48 2ayx s PRO 741 Ca 0.27 1.90 -0.06 0.00 0.04 0.00 0.00 61.00 63.16 2ayx s PRO 741 Cb -0.16 -3.67 -0.04 0.00 0.04 0.00 0.00 34.50 30.68 2ayx s PRO 741 CO 0.11 -0.62 0.07 0.95 0.04 0.00 0.00 177.00 177.55 2ayx s THR 742 N 2.82 4.87 -2.00 1.26 -4.23 -1.26 -4.84 115.64 112.25 2ayx s THR 742 Ca 0.62 -0.02 0.11 0.00 -1.18 0.00 0.00 61.69 61.23 2ayx s THR 742 Cb -0.29 -3.14 0.32 0.00 1.34 0.00 0.00 72.50 70.73 2ayx s THR 742 CO 0.24 0.54 1.13 -0.81 -0.54 0.00 0.00 174.62 175.17 2ayx n PRO 743 N 2.80 0.56 -0.00 3.99 -0.04 -1.26 -1.67 135.00 139.38 2ayx n PRO 743 Ca -0.18 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.33 2ayx n PRO 743 Cb 0.53 -1.31 -0.07 0.00 -0.04 0.00 0.00 33.50 32.61 2ayx n PRO 743 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2ayx n GLU 744 N -0.81 2.76 -4.25 0.54 -0.58 -1.26 -3.08 120.64 113.96 2ayx n GLU 744 Ca 0.08 -0.02 -0.24 0.00 -0.42 0.00 0.00 57.16 56.56 2ayx n GLU 744 Cb 0.04 -1.06 -0.08 0.00 -0.57 0.00 0.00 31.44 29.77 2ayx n GLU 744 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ayx s ASP 745 N -2.29 4.36 0.10 1.62 1.01 -0.67 -4.76 116.67 116.03 2ayx s ASP 745 Ca 0.02 -0.93 0.09 0.00 0.71 0.00 0.00 52.55 52.44 2ayx s ASP 745 Cb 0.08 -0.59 -0.04 0.00 1.01 0.00 0.00 42.92 43.38 2ayx s ASP 745 CO 0.44 -0.29 -0.20 0.68 0.21 0.00 0.00 175.17 176.01 2ayx s VAL 746 N -2.50 2.69 -0.34 -1.27 -7.23 -1.26 -1.04 120.40 109.46 2ayx s VAL 746 Ca 0.36 -1.46 -0.10 0.00 -1.81 0.00 0.00 61.98 58.97 2ayx s VAL 746 Cb -0.00 -2.19 0.01 0.00 0.56 0.00 0.00 36.38 34.75 2ayx s VAL 746 CO 0.21 0.17 0.17 -0.22 -0.31 0.00 0.00 175.10 175.12 2ayx s LEU 747 N -1.90 4.34 -0.37 1.32 0.20 -0.55 -2.28 118.68 119.44 2ayx s LEU 747 Ca 0.16 -0.74 -0.16 0.00 0.69 0.00 0.00 54.13 54.09 2ayx s LEU 747 Cb -0.10 -2.00 -0.00 0.00 -0.43 0.00 0.00 46.19 43.65 2ayx s LEU 747 CO 0.08 -0.27 0.37 -0.63 -0.29 0.00 0.00 176.35 175.60 2ayx s ILE 748 N 1.58 5.16 0.34 6.68 1.01 -0.05 -0.62 121.20 135.30 2ayx s ILE 748 Ca 0.03 -0.13 0.09 0.00 0.00 0.00 0.00 60.65 60.64 2ayx s ILE 748 Cb -0.18 -3.88 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 2ayx s ILE 748 CO 0.06 -0.19 0.05 0.42 0.00 0.00 0.00 174.94 175.28 2ayx s THR 749 N 2.00 2.76 -0.12 2.92 -4.23 -0.31 -0.57 115.64 118.09 2ayx s THR 749 Ca 0.11 -1.90 0.01 0.00 -1.18 0.00 0.00 61.69 58.73 2ayx s THR 749 Cb -0.17 -2.85 0.02 0.00 1.34 0.00 0.00 72.50 70.84 2ayx s THR 749 CO 0.12 -0.20 -0.14 1.51 -0.54 0.00 0.00 174.62 175.37 2ayx s ASP 750 N -3.75 2.46 0.35 3.99 1.47 -1.04 -0.61 116.67 119.55 2ayx s ASP 750 Ca 0.35 -0.43 0.00 0.00 1.18 0.00 0.00 52.55 53.66 2ayx s ASP 750 Cb -0.01 -1.08 0.00 0.00 -0.34 0.00 0.00 42.92 41.49 2ayx s ASP 750 CO 0.20 -0.02 0.00 1.21 0.68 0.00 0.00 175.17 177.24 2ayx n GLU 751 N 4.44 -2.74 -2.22 2.11 4.07 0.08 -4.79 120.64 121.59 2ayx n GLU 751 Ca -0.18 1.89 -0.42 0.00 -0.06 0.00 0.00 57.16 58.39 2ayx n GLU 751 Cb 0.51 -3.32 -0.03 0.00 -0.06 0.00 0.00 31.44 28.54 2ayx n GLU 751 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2ayx s VAL 752 N -2.45 3.35 0.34 6.31 0.11 -1.26 -4.79 120.40 122.00 2ayx s VAL 752 Ca 0.00 1.02 0.09 0.00 -2.93 0.00 0.00 61.98 60.16 2ayx s VAL 752 Cb 0.00 -3.65 -0.06 0.00 -1.53 0.00 0.00 36.38 31.13 2ayx s VAL 752 CO 0.00 0.11 -0.10 0.54 -3.33 0.00 0.00 175.10 172.32 2ayx s VAL 753 N 0.70 2.21 -0.42 2.04 0.11 -1.26 -5.00 120.40 118.78 2ayx s VAL 753 Ca 0.61 -2.21 -0.04 0.00 -2.93 0.00 0.00 61.98 57.40 2ayx s VAL 753 Cb -0.36 -2.61 0.02 0.00 -1.53 0.00 0.00 36.38 31.89 2ayx s VAL 753 CO 0.33 -0.22 2.88 -1.54 -3.33 0.00 0.00 175.10 173.22 2ayx n SER 754 N -0.77 6.35 -3.69 3.54 3.41 -1.26 -4.59 113.62 116.61 2ayx n SER 754 Ca -0.05 -3.11 -0.11 0.00 -0.26 0.00 0.00 58.87 55.35 2ayx n SER 754 Cb 0.63 -1.26 -0.10 0.00 -0.26 0.00 0.00 64.21 63.22 2ayx n SER 754 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2ayx s LYS 755 N -1.32 0.46 0.18 4.33 2.20 -1.26 -5.03 119.74 119.30 2ayx s LYS 755 Ca 0.60 0.80 0.23 0.00 -0.36 0.00 0.00 55.97 57.24 2ayx s LYS 755 Cb 0.37 0.05 0.06 0.00 -1.51 0.00 0.00 37.83 36.81 2ayx s LYS 755 CO -0.19 -0.14 1.09 -0.22 -0.36 0.00 0.00 175.35 175.54 2ayx h LYS 756 N 6.74 0.00 -4.29 4.03 1.63 -1.97 -3.48 116.57 119.23 2ayx h LYS 756 Ca -0.34 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.46 2ayx h LYS 756 Cb 1.19 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.76 2ayx h LYS 756 CO 0.26 0.00 -0.91 1.87 -3.45 0.00 0.00 179.45 177.22 2ayx n TRP 757 N -2.53 -2.79 -1.68 1.91 -0.00 -1.26 -4.86 117.44 106.22 2ayx n TRP 757 Ca 0.01 1.52 -0.36 0.00 -0.00 0.00 0.00 57.50 58.66 2ayx n TRP 757 Cb 0.52 -3.07 -0.03 0.00 -0.00 0.00 0.00 31.31 28.73 2ayx n TRP 757 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 177.69 178.63 2ayx n GLN 758 N 0.90 3.93 0.00 5.87 -0.06 -1.26 -4.85 117.38 121.90 2ayx n GLN 758 Ca -0.19 -2.83 0.00 0.00 -2.00 0.00 0.00 57.00 51.98 2ayx n GLN 758 Cb 0.30 -2.58 0.00 0.00 -4.06 0.00 0.00 30.24 23.90 2ayx n GLN 758 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2ayx n GLY 759 N 2.17 4.97 0.12 1.69 0.00 -1.26 -4.11 105.19 108.77 2ayx n GLY 759 Ca 0.64 -1.76 -0.03 0.00 0.00 0.00 0.00 46.02 44.87 2ayx n GLY 759 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2ayx h ARG 760 N 0.00 -0.19 -3.08 1.61 2.43 -1.01 -3.42 114.38 110.71 2ayx h ARG 760 Ca 0.00 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 2ayx h ARG 760 Cb 0.00 0.04 -0.16 0.00 -0.42 0.00 0.00 29.97 29.43 2ayx h ARG 760 CO 0.00 -0.11 -0.12 0.00 -1.51 0.00 0.00 179.97 178.24 2ayx s ALA 761 N -3.06 -0.97 -0.08 2.80 0.00 -1.23 -4.81 121.76 114.42 2ayx s ALA 761 Ca -0.03 0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.20 2ayx s ALA 761 Cb 0.00 0.37 0.01 0.00 0.00 0.00 0.00 23.12 23.50 2ayx s ALA 761 CO 0.11 -0.47 -0.13 0.54 0.00 0.00 0.00 175.76 175.81 2ayx s VAL 762 N -2.58 1.20 -0.33 0.00 0.11 -0.69 -1.49 120.40 116.63 2ayx s VAL 762 Ca -0.05 -0.50 0.02 0.00 -2.93 0.00 0.00 61.98 58.52 2ayx s VAL 762 Cb -0.01 -1.11 0.09 0.00 -1.53 0.00 0.00 36.38 33.83 2ayx s VAL 762 CO -0.03 0.37 0.04 -0.69 -3.33 0.00 0.00 175.10 171.47 2ayx s VAL 763 N 0.79 2.53 -0.24 2.04 1.01 0.20 -0.80 120.40 125.93 2ayx s VAL 763 Ca -0.12 -2.06 -0.10 0.00 0.00 0.00 0.00 61.98 59.70 2ayx s VAL 763 Cb -0.15 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 2ayx s VAL 763 CO 0.02 -0.46 0.15 -0.89 0.00 0.00 0.00 175.10 173.92 2ayx s THR 764 N 1.02 5.25 -1.32 3.92 2.01 -0.44 -1.16 115.64 124.91 2ayx s THR 764 Ca 0.05 0.14 -0.18 0.00 0.31 0.00 0.00 61.69 62.02 2ayx s THR 764 Cb -0.20 -3.45 0.06 0.00 0.01 0.00 0.00 72.50 68.92 2ayx s THR 764 CO -0.06 0.34 1.82 0.49 -0.69 0.00 0.00 174.62 176.52 2ayx n PHE 765 N 4.37 4.46 -4.29 4.92 3.72 0.22 -0.82 117.46 130.03 2ayx n PHE 765 Ca -0.15 -2.83 -0.34 0.00 -0.05 0.00 0.00 57.45 54.07 2ayx n PHE 765 Cb 0.52 -2.62 -0.11 0.00 -0.94 0.00 0.00 39.48 36.33 2ayx n PHE 765 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ayx n ARG 767 N 3.07 1.32 0.00 0.00 1.74 -1.26 -3.00 116.66 118.53 2ayx n ARG 767 Ca -0.18 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 56.85 2ayx n ARG 767 Cb 0.53 -1.23 0.00 0.00 -1.02 0.00 0.00 32.46 30.73 2ayx n ARG 767 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2ayx n ARG 768 N -2.07 0.00 -1.34 5.56 3.00 -1.26 -5.06 116.66 115.49 2ayx n ARG 768 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.77 2ayx n ARG 768 Cb 0.51 -0.36 0.00 0.00 0.00 0.00 0.00 32.46 32.61 2ayx n ARG 768 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.63 175.24 2ayx n HIS 769 N -2.36 -3.39 0.00 -0.14 1.44 -1.26 -5.05 115.22 104.46 2ayx n HIS 769 Ca 0.00 1.79 0.00 0.00 -2.01 0.00 0.00 57.72 57.50 2ayx n HIS 769 Cb 0.00 -3.05 0.00 0.00 0.12 0.00 0.00 29.99 27.06 2ayx n HIS 769 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 2ayx n ILE 770 N 0.32 0.00 0.17 0.61 5.41 -1.26 -4.90 119.36 119.72 2ayx n ILE 770 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.85 2ayx n ILE 770 Cb 0.00 -0.28 0.09 0.00 -0.71 0.00 0.00 39.64 38.74 2ayx n ILE 770 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2ayx h GLY 771 N 0.00 0.00 -3.53 7.39 0.00 -1.97 -3.45 103.07 101.50 2ayx h GLY 771 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 2ayx h GLY 771 CO 0.00 0.00 0.59 -1.50 0.00 0.00 0.00 176.54 175.63 2ayx s ILE 772 N -3.18 2.79 0.00 2.60 1.10 -1.26 -5.03 121.20 118.22 2ayx s ILE 772 Ca 0.04 0.74 0.00 0.00 -0.51 0.00 0.00 60.65 60.92 2ayx s ILE 772 Cb 0.07 -3.44 0.00 0.00 0.15 0.00 0.00 42.46 39.23 2ayx s ILE 772 CO 0.72 0.13 0.00 -0.81 -2.11 0.00 0.00 174.94 172.86 2ayx n PRO 773 N 0.39 3.48 -2.31 3.50 -0.04 -1.26 -4.95 135.00 133.82 2ayx n PRO 773 Ca 0.02 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.49 2ayx n PRO 773 Cb 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 2ayx n PRO 773 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2ayx n LEU 774 N 0.00 0.00 -2.56 1.53 -0.00 -1.26 -4.70 117.00 110.01 2ayx n LEU 774 Ca 0.00 -0.11 -0.06 0.00 -0.00 0.00 0.00 56.01 55.84 2ayx n LEU 774 Cb 0.00 0.44 -0.04 0.00 -0.00 0.00 0.00 43.42 43.82 2ayx n LEU 774 CO 0.00 -0.04 1.06 -0.62 -0.00 0.00 0.00 177.39 177.80 2ayx n GLU 775 N -0.21 0.72 0.09 1.47 1.02 -0.46 -3.65 120.64 119.62 2ayx n GLU 775 Ca 0.01 -0.48 0.08 0.00 -0.02 0.00 0.00 57.16 56.75 2ayx n GLU 775 Cb 0.13 -1.81 -0.01 0.00 -0.02 0.00 0.00 31.44 29.74 2ayx n GLU 775 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 2ayx h LYS 776 N 5.67 0.00 -4.94 3.49 2.10 -1.95 -3.47 116.57 117.47 2ayx h LYS 776 Ca 0.11 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.46 2ayx h LYS 776 Cb 0.34 0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 31.51 2ayx h LYS 776 CO 0.64 0.08 -0.72 0.00 -2.00 0.00 0.00 179.45 177.45 2ayx s ALA 777 N -3.24 1.20 -1.57 0.07 0.00 -1.24 -5.04 121.76 111.94 2ayx s ALA 777 Ca -0.01 -1.32 0.13 0.00 0.00 0.00 0.00 51.96 50.77 2ayx s ALA 777 Cb 0.09 0.06 0.70 0.00 0.00 0.00 0.00 23.12 23.96 2ayx s ALA 777 CO 0.79 -0.09 1.31 -0.35 0.00 0.00 0.00 175.76 177.42 2ayx n PRO 778 N 0.20 0.24 0.00 0.00 -0.04 -1.26 -2.33 135.00 131.82 2ayx n PRO 778 Ca -0.13 0.12 0.04 0.00 -0.04 0.00 0.00 63.50 63.49 2ayx n PRO 778 Cb 0.59 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 2ayx n PRO 778 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ayx n GLY 779 N -0.17 -0.24 3.20 0.55 0.00 -1.26 -4.94 105.19 102.33 2ayx n GLY 779 Ca 0.07 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 2ayx n GLY 779 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ayx s GLU 780 N -1.14 3.08 0.05 1.61 2.02 -0.98 -1.70 118.70 121.64 2ayx s GLU 780 Ca 0.07 -0.82 0.05 0.00 0.02 0.00 0.00 54.97 54.29 2ayx s GLU 780 Cb 0.07 -2.49 -0.02 0.00 0.10 0.00 0.00 34.13 31.79 2ayx s GLU 780 CO 0.20 0.01 -0.14 -1.58 0.02 0.00 0.00 175.26 173.76 2ayx s TRP 781 N 0.79 1.22 -0.01 1.61 0.52 0.02 -1.36 118.94 121.73 2ayx s TRP 781 Ca -0.07 -0.39 -0.04 0.00 0.02 0.00 0.00 56.10 55.62 2ayx s TRP 781 Cb -0.16 -0.71 -0.00 0.00 -1.15 0.00 0.00 33.47 31.45 2ayx s TRP 781 CO -0.01 0.04 0.08 0.54 0.02 0.00 0.00 176.95 177.62 2ayx s VAL 782 N -0.99 0.06 -0.24 4.03 0.11 -1.26 -1.33 120.40 120.77 2ayx s VAL 782 Ca 0.00 -0.47 -0.19 0.00 -2.93 0.00 0.00 61.98 58.40 2ayx s VAL 782 Cb -0.09 -0.27 0.07 0.00 -1.53 0.00 0.00 36.38 34.56 2ayx s VAL 782 CO 0.02 -0.26 0.62 -2.28 -3.33 0.00 0.00 175.10 169.87 2ayx s HIS 783 N -0.83 -0.79 -0.55 1.54 2.46 -0.00 -4.85 115.29 112.28 2ayx s HIS 783 Ca -0.09 1.77 -0.17 0.00 0.47 0.00 0.00 55.06 57.04 2ayx s HIS 783 Cb -0.05 0.36 0.11 0.00 -0.13 0.00 0.00 32.58 32.86 2ayx s HIS 783 CO 0.00 -0.39 0.55 -1.12 -2.47 0.00 0.00 174.74 171.32 2ayx s SER 784 N 0.83 6.18 0.09 9.88 0.01 -1.16 -1.08 113.70 128.46 2ayx s SER 784 Ca -0.04 -1.59 -0.05 0.00 1.31 0.00 0.00 55.95 55.57 2ayx s SER 784 Cb -0.05 -2.24 0.02 0.00 0.21 0.00 0.00 66.02 63.96 2ayx s SER 784 CO -0.07 -0.91 0.26 1.33 0.41 0.00 0.00 173.24 174.26 2ayx n VAL 785 N 5.35 0.00 -1.91 3.43 0.24 -1.26 -5.02 118.33 119.16 2ayx n VAL 785 Ca -0.12 -0.24 -0.23 0.00 -2.04 0.00 0.00 64.34 61.70 2ayx n VAL 785 Cb 0.41 0.27 0.04 0.00 -1.47 0.00 0.00 33.84 33.09 2ayx n VAL 785 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ayx n ALA 786 N -2.31 5.08 -3.30 2.33 0.00 -1.26 -4.94 120.51 116.11 2ayx n ALA 786 Ca -0.05 -3.72 -0.15 0.00 0.00 0.00 0.00 53.44 49.52 2ayx n ALA 786 Cb 0.17 -0.49 0.05 0.00 0.00 0.00 0.00 19.45 19.18 2ayx n ALA 786 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ayx n ALA 787 N -0.76 -2.51 0.15 0.00 0.00 -1.26 -4.76 120.51 111.36 2ayx n ALA 787 Ca 0.45 0.04 -0.06 0.00 0.00 0.00 0.00 53.44 53.87 2ayx n ALA 787 Cb 0.92 -4.68 -0.03 0.00 0.00 0.00 0.00 19.45 15.66 2ayx n ALA 787 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2ayx h PRO 788 N -0.94 -0.39 0.00 0.00 0.11 -1.99 -3.46 132.00 125.33 2ayx h PRO 788 Ca -0.51 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2ayx h PRO 788 Cb 1.27 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.46 2ayx h PRO 788 CO 0.42 -0.26 0.00 -2.39 -0.21 0.00 0.00 178.00 175.56 2ayx n HIS 789 N -3.51 0.00 0.07 0.65 1.44 -1.26 -5.00 115.22 107.61 2ayx n HIS 789 Ca -0.05 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.53 2ayx n HIS 789 Cb 0.16 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.22 2ayx n HIS 789 CO 0.00 0.00 0.00 1.05 -2.81 0.00 0.00 176.34 174.58 2ayx h GLU 790 N 0.00 0.38 0.01 -1.40 9.09 -1.99 -2.64 114.58 118.03 2ayx h GLU 790 Ca 0.00 -0.42 -0.00 0.00 0.05 0.00 0.00 59.36 58.99 2ayx h GLU 790 Cb 0.00 0.12 0.00 0.00 -1.65 0.00 0.00 28.75 27.22 2ayx h GLU 790 CO 0.00 1.10 -0.00 1.25 0.05 0.00 0.00 179.01 181.41 2ayx h LEU 791 N 0.21 -0.01 -1.72 3.06 6.46 -1.94 -0.54 115.31 120.83 2ayx h LEU 791 Ca -0.08 -0.65 0.07 0.00 -0.12 0.00 0.00 57.88 57.10 2ayx h LEU 791 Cb 1.59 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.50 2ayx h LEU 791 CO 0.16 0.65 0.32 1.55 -0.62 0.00 0.00 178.44 180.51 2ayx h PRO 792 N -0.67 0.33 -0.18 5.25 0.13 -1.94 0.80 132.00 135.71 2ayx h PRO 792 Ca -0.00 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 65.01 2ayx h PRO 792 Cb 0.66 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.71 2ayx h PRO 792 CO 0.00 0.22 -0.29 0.00 -0.23 0.00 0.00 178.00 177.70 2ayx h ALA 793 N 1.75 0.28 -0.85 -0.56 0.00 -1.44 -2.42 119.26 116.02 2ayx h ALA 793 Ca 0.21 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2ayx h ALA 793 Cb 0.40 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2ayx h ALA 793 CO -0.05 0.29 0.44 1.25 0.00 0.00 0.00 179.25 181.19 2ayx h LEU 794 N 0.17 1.08 -1.11 0.00 7.12 -0.40 -2.42 115.31 119.75 2ayx h LEU 794 Ca 0.01 -0.11 -0.07 0.00 0.13 0.00 0.00 57.88 57.85 2ayx h LEU 794 Cb 0.87 -0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 40.71 2ayx h LEU 794 CO 0.07 0.88 -0.08 0.25 -0.13 0.00 0.00 178.44 179.43 2ayx h LEU 795 N 1.19 0.51 -0.76 2.25 5.85 -0.85 0.47 115.31 123.97 2ayx h LEU 795 Ca 0.30 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2ayx h LEU 795 Cb 0.06 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 2ayx h LEU 795 CO -0.04 0.64 0.43 0.00 -0.34 0.00 0.00 178.44 179.12 2ayx h ALA 796 N 1.42 0.97 -0.07 1.25 0.00 -0.96 -0.69 119.26 121.19 2ayx h ALA 796 Ca 0.10 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2ayx h ALA 796 Cb 0.45 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2ayx h ALA 796 CO 0.02 0.47 -0.56 -0.09 0.00 0.00 0.00 179.25 179.10 2ayx h ARG 797 N 1.05 0.21 -0.26 0.00 2.43 -1.01 -1.52 114.38 115.28 2ayx h ARG 797 Ca 0.27 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 2ayx h ARG 797 Cb 0.02 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2ayx h ARG 797 CO -0.05 0.72 -0.00 0.82 -1.51 0.00 0.00 179.97 179.95 2ayx h ILE 798 N 0.16 1.26 -0.03 1.20 2.04 -0.31 -3.27 117.51 118.56 2ayx h ILE 798 Ca -0.00 -0.92 -0.16 0.00 1.00 0.00 0.00 64.86 64.78 2ayx h ILE 798 Cb 1.04 1.34 0.01 0.00 -0.74 0.00 0.00 36.82 38.47 2ayx h ILE 798 CO 0.09 0.29 -0.62 1.88 0.00 0.00 0.00 178.15 179.78 2ayx h TYR 799 N 0.24 0.69 -6.15 1.37 0.05 -1.13 -3.48 116.97 108.55 2ayx h TYR 799 Ca 0.07 -0.35 -0.39 0.00 0.05 0.00 0.00 58.73 58.11 2ayx h TYR 799 Cb 0.42 -0.09 0.08 0.00 1.01 0.00 0.00 36.73 38.15 2ayx h TYR 799 CO 0.04 1.16 -0.86 1.28 -1.05 0.00 0.00 178.16 178.72 2ayx n LEU 800 N -4.18 -3.26 -4.46 3.88 4.77 -0.57 -4.93 117.00 108.24 2ayx n LEU 800 Ca -0.10 -0.91 -0.43 0.00 -0.03 0.00 0.00 56.01 54.54 2ayx n LEU 800 Cb 0.68 -2.45 -0.08 0.00 -2.33 0.00 0.00 43.42 39.24 2ayx n LEU 800 CO 0.48 0.30 0.17 -0.63 -1.33 0.00 0.00 177.39 176.38 2ayx s ILE 801 N -3.37 5.04 -0.95 -0.08 1.01 -1.26 -4.89 121.20 116.70 2ayx s ILE 801 Ca 0.39 -0.47 0.26 0.00 0.00 0.00 0.00 60.65 60.83 2ayx s ILE 801 Cb -0.13 -4.13 0.11 0.00 0.01 0.00 0.00 42.46 38.31 2ayx s ILE 801 CO 0.85 -0.56 1.60 -0.62 0.00 0.00 0.00 174.94 176.21 2ayx n GLU 802 N 5.72 0.05 -2.27 2.79 1.02 -1.25 -0.25 120.64 126.45 2ayx n GLU 802 Ca -0.08 0.02 -0.43 0.00 -0.02 0.00 0.00 57.16 56.66 2ayx n GLU 802 Cb 0.46 -1.54 -0.02 0.00 -0.02 0.00 0.00 31.44 30.32 2ayx n GLU 802 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 2ayx s MET 803 N -3.02 3.95 0.30 3.49 1.75 -1.26 -4.64 119.30 119.87 2ayx s MET 803 Ca 0.11 1.55 0.06 0.00 -1.25 0.00 0.00 55.69 56.17 2ayx s MET 803 Cb 0.17 -3.93 -0.02 0.00 2.84 0.00 0.00 34.83 33.90 2ayx s MET 803 CO 0.64 -1.09 0.42 -1.21 -0.65 0.00 0.00 175.02 173.13 2ayx s GLU 804 N 4.23 3.19 0.69 4.11 2.02 -1.26 -2.30 118.70 129.38 2ayx s GLU 804 Ca 0.63 -0.95 0.04 0.00 0.02 0.00 0.00 54.97 54.70 2ayx s GLU 804 Cb -0.22 -2.82 0.13 0.00 0.10 0.00 0.00 34.13 31.32 2ayx s GLU 804 CO 0.24 0.18 0.95 -1.13 0.02 0.00 0.00 175.26 175.52 2ayx n SER 805 N -1.55 1.69 -4.72 -0.19 3.41 -1.26 -4.92 113.62 106.08 2ayx n SER 805 Ca -0.03 -2.33 -0.33 0.00 -0.26 0.00 0.00 58.87 55.92 2ayx n SER 805 Cb 0.58 -0.58 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 2ayx n SER 805 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2ayx s ASP 806 N -4.98 5.35 -0.38 4.04 2.15 -1.26 -5.10 116.67 116.49 2ayx s ASP 806 Ca 0.66 0.08 -0.10 0.00 0.43 0.00 0.00 52.55 53.62 2ayx s ASP 806 Cb -0.04 -1.47 0.04 0.00 -0.30 0.00 0.00 42.92 41.14 2ayx s ASP 806 CO 0.43 0.30 0.20 -0.62 -0.17 0.00 0.00 175.17 175.31 2ayx s ASP 807 N -1.48 5.67 -0.18 -0.34 2.15 -1.26 -5.06 116.67 116.17 2ayx s ASP 807 Ca 0.19 -1.08 -0.29 0.00 0.43 0.00 0.00 52.55 51.80 2ayx s ASP 807 Cb -0.12 -2.00 -0.01 0.00 -0.30 0.00 0.00 42.92 40.50 2ayx s ASP 807 CO 0.10 -0.40 1.15 -2.84 -0.17 0.00 0.00 175.17 173.01 2ayx s PRO 808 N 1.52 4.26 0.07 4.34 0.02 -1.26 -5.04 135.00 138.91 2ayx s PRO 808 Ca 0.01 1.52 0.02 0.00 0.02 0.00 0.00 61.00 62.58 2ayx s PRO 808 Cb -0.20 -3.69 -0.04 0.00 0.02 0.00 0.00 34.50 30.60 2ayx s PRO 808 CO 0.06 -0.63 0.10 0.00 -0.33 0.00 0.00 177.00 176.19 2ayx s ALA 809 N 3.20 3.65 -0.28 -1.55 0.00 -1.26 -5.11 121.76 120.40 2ayx s ALA 809 Ca 0.50 -0.97 -0.19 0.00 0.00 0.00 0.00 51.96 51.30 2ayx s ALA 809 Cb -0.19 -1.52 0.09 0.00 0.00 0.00 0.00 23.12 21.51 2ayx s ALA 809 CO 0.12 0.76 0.77 1.21 0.00 0.00 0.00 175.76 178.62 2ayx s ASN 810 N -2.36 -0.79 0.02 0.00 3.84 -1.26 -5.17 114.94 109.22 2ayx s ASN 810 Ca 0.30 1.34 -0.04 0.00 0.21 0.00 0.00 52.86 54.66 2ayx s ASN 810 Cb -0.12 1.34 -0.01 0.00 -0.55 0.00 0.00 41.25 41.90 2ayx s ASN 810 CO 0.22 -0.22 0.06 0.00 -2.79 0.00 0.00 177.10 174.38 2ayx s ALA 811 N 1.17 -0.05 -0.31 1.71 0.00 -1.26 -5.14 121.76 117.88 2ayx s ALA 811 Ca -0.06 -0.47 -0.02 0.00 0.00 0.00 0.00 51.96 51.41 2ayx s ALA 811 Cb -0.05 0.17 0.12 0.00 0.00 0.00 0.00 23.12 23.37 2ayx s ALA 811 CO -0.13 -0.23 0.22 -0.48 0.00 0.00 0.00 175.76 175.13 2ayx s LEU 812 N -1.71 0.31 -0.35 0.00 2.34 -1.26 -5.11 118.68 112.90 2ayx s LEU 812 Ca -0.11 -1.30 -0.21 0.00 0.06 0.00 0.00 54.13 52.57 2ayx s LEU 812 Cb -0.06 -0.00 0.00 0.00 -0.56 0.00 0.00 46.19 45.57 2ayx s LEU 812 CO -0.02 -0.39 0.67 -2.16 -1.06 0.00 0.00 176.35 173.40 2ayx s PRO 813 N 1.95 3.72 -0.02 1.48 0.04 -1.26 -5.05 135.00 135.86 2ayx s PRO 813 Ca 0.11 0.14 0.02 0.00 0.04 0.00 0.00 61.00 61.32 2ayx s PRO 813 Cb -0.16 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.58 2ayx s PRO 813 CO -0.26 -0.74 -0.07 -1.12 0.04 0.00 0.00 177.00 174.84 2ayx s SER 814 N 1.78 0.98 0.15 6.66 0.01 -1.26 -5.15 113.70 116.87 2ayx s SER 814 Ca 0.26 -0.15 0.03 0.00 1.31 0.00 0.00 55.95 57.40 2ayx s SER 814 Cb -0.14 -0.22 -0.05 0.00 0.21 0.00 0.00 66.02 65.82 2ayx s SER 814 CO 0.15 0.06 -0.04 0.42 0.41 0.00 0.00 173.24 174.24 2ayx s THR 815 N 0.11 0.82 0.12 1.44 -4.23 -1.26 -5.17 115.64 107.47 2ayx s THR 815 Ca -0.01 -1.99 0.05 0.00 -1.18 0.00 0.00 61.69 58.55 2ayx s THR 815 Cb -0.06 -1.98 -0.04 0.00 1.34 0.00 0.00 72.50 71.76 2ayx s THR 815 CO 0.00 -0.61 -0.11 1.51 -0.54 0.00 0.00 174.62 174.86 2ayx s ASP 816 N -3.15 1.72 0.02 3.99 -4.77 -1.26 -5.16 116.67 108.06 2ayx s ASP 816 Ca 0.20 -0.88 0.02 0.00 -3.30 0.00 0.00 52.55 48.59 2ayx s ASP 816 Cb 0.05 -0.02 -0.02 0.00 -1.09 0.00 0.00 42.92 41.84 2ayx s ASP 816 CO 0.02 -0.25 -0.07 -0.75 0.70 0.00 0.00 175.17 174.81 2ayx s LYS 817 N -3.08 0.52 0.04 2.11 2.47 -1.26 -5.16 119.74 115.39 2ayx s LYS 817 Ca 0.10 -0.54 0.05 0.00 -1.56 0.00 0.00 55.97 54.02 2ayx s LYS 817 Cb -0.02 -0.39 -0.02 0.00 -1.46 0.00 0.00 37.83 35.94 2ayx s LYS 817 CO 0.01 0.09 -0.15 0.00 0.16 0.00 0.00 175.35 175.46 2ayx s ALA 818 N -0.86 1.27 -0.21 3.13 0.00 -1.26 -5.14 121.76 118.69 2ayx s ALA 818 Ca -0.05 -0.88 -0.17 0.00 0.00 0.00 0.00 51.96 50.87 2ayx s ALA 818 Cb -0.07 -0.20 0.06 0.00 0.00 0.00 0.00 23.12 22.91 2ayx s ALA 818 CO 0.00 0.25 0.54 0.54 0.00 0.00 0.00 175.76 177.09 2ayx s VAL 819 N -0.86 -0.00 0.04 0.00 0.11 -1.26 -5.17 120.40 113.25 2ayx s VAL 819 Ca 0.02 0.02 -0.02 0.00 -2.93 0.00 0.00 61.98 59.07 2ayx s VAL 819 Cb -0.08 -0.76 -0.03 0.00 -1.53 0.00 0.00 36.38 33.98 2ayx s VAL 819 CO 0.01 0.01 0.01 -0.94 -3.33 0.00 0.00 175.10 170.86 2ayx s SER 820 N 0.67 0.32 0.23 3.54 1.04 -1.26 -5.17 113.70 113.06 2ayx s SER 820 Ca -0.03 -0.71 -0.02 0.00 0.48 0.00 0.00 55.95 55.67 2ayx s SER 820 Cb -0.05 0.18 0.01 0.00 0.10 0.00 0.00 66.02 66.26 2ayx s SER 820 CO -0.04 -0.48 0.32 -0.67 0.98 0.00 0.00 173.24 173.35 2ayx n ASP 821 N 0.76 -0.90 0.00 7.02 -0.08 -1.26 -5.14 116.55 116.95 2ayx n ASP 821 Ca -0.19 -2.20 0.00 0.00 -1.51 0.00 0.00 54.79 50.89 2ayx n ASP 821 Cb 0.58 1.67 0.00 0.00 2.34 0.00 0.00 41.12 45.71 2ayx n ASP 821 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2ayx n ASN 822 N -1.79 0.00 -3.08 1.67 2.85 -1.26 -5.10 115.26 108.56 2ayx n ASN 822 Ca 0.00 0.00 -0.14 0.00 -0.11 0.00 0.00 54.58 54.34 2ayx n ASN 822 Cb 0.38 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.41 2ayx n ASN 822 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2ayx n ASP 823 N -0.03 -7.25 -3.20 1.20 2.03 -1.26 -5.02 116.55 103.02 2ayx n ASP 823 Ca 0.00 0.18 -0.18 0.00 0.52 0.00 0.00 54.79 55.31 2ayx n ASP 823 Cb 0.00 -4.41 -0.06 0.00 -0.72 0.00 0.00 41.12 35.92 2ayx n ASP 823 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2ayx s ASP 824 N -2.50 0.54 -0.12 1.67 2.15 -1.26 -5.05 116.67 112.10 2ayx s ASP 824 Ca 0.21 -2.38 -0.03 0.00 0.43 0.00 0.00 52.55 50.78 2ayx s ASP 824 Cb -0.05 0.45 -0.03 0.00 -0.30 0.00 0.00 42.92 42.99 2ayx s ASP 824 CO 0.80 -0.15 -0.01 -0.04 -0.17 0.00 0.00 175.17 175.59 2ayx s MET 825 N 0.58 3.32 -0.17 4.34 -1.94 -1.26 -5.06 119.30 119.11 2ayx s MET 825 Ca 0.29 -0.45 -0.00 0.00 -1.71 0.00 0.00 55.69 53.81 2ayx s MET 825 Cb -0.02 -2.87 -0.00 0.00 2.01 0.00 0.00 34.83 33.96 2ayx s MET 825 CO -0.12 0.49 -0.14 0.00 -0.01 0.00 0.00 175.02 175.25 2ayx s MET 826 N -0.30 3.23 -0.04 2.03 0.23 -1.26 -2.02 119.30 121.17 2ayx s MET 826 Ca 0.06 -0.73 0.06 0.00 -1.03 0.00 0.00 55.69 54.05 2ayx s MET 826 Cb -0.12 -2.69 -0.02 0.00 -1.53 0.00 0.00 34.83 30.46 2ayx s MET 826 CO 0.02 -0.04 -0.20 0.42 -2.03 0.00 0.00 175.02 173.19 2ayx s ILE 827 N 0.96 2.51 -0.23 3.16 -1.09 0.16 -1.57 121.20 125.09 2ayx s ILE 827 Ca -0.02 -0.93 -0.08 0.00 -2.23 0.00 0.00 60.65 57.40 2ayx s ILE 827 Cb -0.15 -1.94 -0.03 0.00 -1.58 0.00 0.00 42.46 38.76 2ayx s ILE 827 CO -0.02 0.58 0.08 -0.22 -1.23 0.00 0.00 174.94 174.13 2ayx s LEU 828 N -0.54 3.56 -0.49 2.97 0.20 0.01 -1.04 118.68 123.35 2ayx s LEU 828 Ca 0.07 -0.13 -0.12 0.00 0.69 0.00 0.00 54.13 54.65 2ayx s LEU 828 Cb -0.11 -1.94 0.12 0.00 -0.43 0.00 0.00 46.19 43.82 2ayx s LEU 828 CO 0.01 0.01 0.39 0.68 -0.29 0.00 0.00 176.35 177.15 2ayx s VAL 829 N 1.33 4.58 -0.32 1.68 -7.23 0.43 -0.76 120.40 120.10 2ayx s VAL 829 Ca 0.05 -1.62 -0.07 0.00 -1.81 0.00 0.00 61.98 58.54 2ayx s VAL 829 Cb -0.15 -3.95 0.03 0.00 0.56 0.00 0.00 36.38 32.87 2ayx s VAL 829 CO 0.04 -0.77 0.09 -0.69 -0.31 0.00 0.00 175.10 173.46 2ayx s VAL 830 N 1.46 3.86 0.02 1.32 1.01 -0.42 -2.45 120.40 125.20 2ayx s VAL 830 Ca 0.04 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.17 2ayx s VAL 830 Cb -0.27 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 2ayx s VAL 830 CO 0.01 -0.06 -0.24 -0.62 0.00 0.00 0.00 175.10 174.19 2ayx s ASP 831 N 1.45 2.89 0.42 3.32 -1.08 -1.02 -0.46 116.67 122.18 2ayx s ASP 831 Ca 0.00 -0.52 0.23 0.00 -0.52 0.00 0.00 52.55 51.74 2ayx s ASP 831 Cb -0.18 -0.28 0.41 0.00 -1.46 0.00 0.00 42.92 41.41 2ayx s ASP 831 CO 0.03 0.25 1.63 -2.24 0.52 0.00 0.00 175.17 175.35 2ayx h ASP 832 N 5.07 0.00 -3.76 -0.34 2.03 -1.70 -3.39 116.42 114.33 2ayx h ASP 832 Ca -0.44 0.00 -0.68 0.00 -0.73 0.00 0.00 57.03 55.18 2ayx h ASP 832 Cb 1.14 0.00 -0.32 0.00 -0.83 0.00 0.00 39.33 39.32 2ayx h ASP 832 CO 0.45 0.09 -0.69 -1.00 -1.03 0.00 0.00 179.24 177.06 2ayx s HIS 833 N -3.23 3.27 0.34 4.15 3.76 -1.26 -4.97 115.29 117.34 2ayx s HIS 833 Ca 0.06 -1.85 0.10 0.00 -0.15 0.00 0.00 55.06 53.22 2ayx s HIS 833 Cb 0.06 -2.13 0.85 0.00 1.11 0.00 0.00 32.58 32.46 2ayx s HIS 833 CO 0.67 -0.80 1.79 -1.35 -0.85 0.00 0.00 174.74 174.20 2ayx h PRO 834 N 8.01 0.63 -0.67 8.40 0.11 -1.98 0.16 132.00 146.67 2ayx h PRO 834 Ca -0.21 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.80 2ayx h PRO 834 Cb 1.06 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.00 2ayx h PRO 834 CO 0.54 0.42 0.17 0.97 -0.21 0.00 0.00 178.00 179.89 2ayx h ILE 835 N 0.65 1.25 -0.12 4.15 -0.00 -1.97 -0.00 117.51 121.48 2ayx h ILE 835 Ca 0.56 -0.92 -0.21 0.00 -0.00 0.00 0.00 64.86 64.30 2ayx h ILE 835 Cb 1.02 0.55 0.00 0.00 -0.00 0.00 0.00 36.82 38.40 2ayx h ILE 835 CO -0.33 0.35 -0.77 -1.13 -0.00 0.00 0.00 178.15 176.27 2ayx h ASN 836 N 1.00 0.75 -0.66 2.19 -1.24 -1.56 -2.84 115.58 113.22 2ayx h ASN 836 Ca 0.21 -0.50 0.07 0.00 0.71 0.00 0.00 56.30 56.80 2ayx h ASN 836 Cb 0.33 -0.22 -0.06 0.00 0.73 0.00 0.00 38.32 39.10 2ayx h ASN 836 CO -0.00 1.27 0.34 -0.09 -1.29 0.00 0.00 177.43 177.66 2ayx h ARG 837 N 0.42 0.60 -0.84 6.67 2.43 -0.62 -1.31 114.38 121.73 2ayx h ARG 837 Ca -0.05 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.11 2ayx h ARG 837 Cb 1.38 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 30.75 2ayx h ARG 837 CO 0.15 0.39 0.54 -0.09 -1.51 0.00 0.00 179.97 179.46 2ayx h ARG 838 N 0.61 1.05 0.19 0.20 2.43 -0.89 -0.05 114.38 117.92 2ayx h ARG 838 Ca 0.31 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 2ayx h ARG 838 Cb 0.26 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2ayx h ARG 838 CO -0.22 0.69 -0.14 1.25 -1.51 0.00 0.00 179.97 180.04 2ayx h LEU 839 N 1.08 -0.36 -0.68 3.80 5.85 -1.02 -1.37 115.31 122.62 2ayx h LEU 839 Ca 0.32 0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.93 2ayx h LEU 839 Cb -0.04 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2ayx h LEU 839 CO -0.10 -0.22 -0.65 0.17 -0.34 0.00 0.00 178.44 177.30 2ayx h LEU 840 N -0.34 0.04 -0.79 2.25 8.10 -1.25 -2.64 115.31 120.69 2ayx h LEU 840 Ca -0.01 -0.03 -0.09 0.00 0.11 0.00 0.00 57.88 57.86 2ayx h LEU 840 Cb 0.29 -0.01 -0.02 0.00 -0.44 0.00 0.00 40.66 40.48 2ayx h LEU 840 CO 0.00 0.68 -0.10 0.00 -4.11 0.00 0.00 178.44 174.92 2ayx h ALA 841 N 1.32 0.97 -0.46 0.17 0.00 -0.85 0.02 119.26 120.43 2ayx h ALA 841 Ca -0.01 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 2ayx h ALA 841 Cb 1.16 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2ayx h ALA 841 CO 0.09 0.61 -0.16 0.22 0.00 0.00 0.00 179.25 180.00 2ayx h ASP 842 N 0.74 0.93 0.07 0.00 3.58 -1.13 -0.82 116.42 119.79 2ayx h ASP 842 Ca 0.13 -0.38 -0.00 0.00 0.42 0.00 0.00 57.03 57.19 2ayx h ASP 842 Cb 0.59 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.38 2ayx h ASP 842 CO 0.04 1.11 -0.03 1.56 -2.88 0.00 0.00 179.24 179.03 2ayx h GLN 843 N 0.76 -0.09 -0.61 0.28 1.08 -1.19 -1.88 115.11 113.46 2ayx h GLN 843 Ca 0.11 0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.33 2ayx h GLN 843 Cb 0.73 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.14 2ayx h GLN 843 CO 0.06 0.07 0.40 1.25 -0.95 0.00 0.00 178.83 179.65 2ayx h LEU 844 N -0.23 0.66 -1.26 1.46 6.46 -0.97 -0.83 115.31 120.60 2ayx h LEU 844 Ca -0.01 -0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.70 2ayx h LEU 844 Cb 0.20 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 39.95 2ayx h LEU 844 CO 0.02 0.47 0.10 1.23 -0.62 0.00 0.00 178.44 179.63 2ayx h GLY 845 N 0.77 0.65 2.00 3.75 0.00 -0.82 -2.04 103.07 107.38 2ayx h GLY 845 Ca 0.23 -0.35 -0.12 0.00 0.00 0.00 0.00 47.33 47.10 2ayx h GLY 845 CO -0.06 0.33 -0.57 1.76 0.00 0.00 0.00 176.54 178.00 2ayx h SER 846 N 0.60 0.00 -0.20 0.19 0.02 -0.39 -3.10 113.55 110.67 2ayx h SER 846 Ca 0.14 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 2ayx h SER 846 Cb 0.23 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 2ayx h SER 846 CO -0.00 0.57 0.02 -0.07 -1.14 0.00 0.00 176.83 176.21 2ayx h LEU 847 N 0.00 0.41 0.00 5.07 4.07 -0.48 -3.47 115.31 120.91 2ayx h LEU 847 Ca -0.01 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.89 2ayx h LEU 847 Cb 1.27 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.90 2ayx h LEU 847 CO 0.07 0.46 0.00 0.61 -1.08 0.00 0.00 178.44 178.50 2ayx n GLY 848 N -1.02 1.53 3.64 0.83 0.00 -1.07 -5.10 105.19 104.00 2ayx n GLY 848 Ca 0.01 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 2ayx n GLY 848 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ayx s TYR 849 N -2.00 2.77 -0.13 1.61 2.02 -1.24 -5.02 117.35 115.35 2ayx s TYR 849 Ca 0.00 -0.18 -0.29 0.00 -0.37 0.00 0.00 57.07 56.23 2ayx s TYR 849 Cb 0.00 -1.32 -0.04 0.00 -0.40 0.00 0.00 41.96 40.20 2ayx s TYR 849 CO 0.00 0.54 1.59 -0.65 -1.57 0.00 0.00 175.55 175.46 2ayx s GLN 850 N -3.08 4.03 -0.19 -0.62 1.11 -0.86 -4.70 119.66 115.36 2ayx s GLN 850 Ca 0.28 1.92 -0.06 0.00 0.01 0.00 0.00 55.36 57.51 2ayx s GLN 850 Cb -0.09 -3.98 -0.03 0.00 -1.01 0.00 0.00 33.01 27.91 2ayx s GLN 850 CO 0.18 -1.01 0.01 0.00 0.01 0.00 0.00 175.29 174.49 2ayx s LYS 852 N 0.82 2.69 0.03 0.00 3.01 -0.20 -4.98 119.74 121.11 2ayx s LYS 852 Ca 0.01 -0.59 0.08 0.00 -1.01 0.00 0.00 55.97 54.47 2ayx s LYS 852 Cb -0.14 -2.55 -0.03 0.00 -1.01 0.00 0.00 37.83 34.10 2ayx s LYS 852 CO 0.02 0.65 -0.23 0.95 0.51 0.00 0.00 175.35 177.26 2ayx s THR 853 N -0.82 2.42 -0.01 2.17 -4.23 -1.26 -0.43 115.64 113.48 2ayx s THR 853 Ca 0.13 -1.26 -0.14 0.00 -1.18 0.00 0.00 61.69 59.24 2ayx s THR 853 Cb -0.11 -1.96 0.02 0.00 1.34 0.00 0.00 72.50 71.79 2ayx s THR 853 CO 0.02 0.39 0.29 0.00 -0.54 0.00 0.00 174.62 174.78 2ayx s ALA 854 N -0.83 -0.73 -0.48 3.99 0.00 -1.02 -4.97 121.76 117.71 2ayx s ALA 854 Ca 0.13 0.25 0.06 0.00 0.00 0.00 0.00 51.96 52.39 2ayx s ALA 854 Cb -0.10 0.11 0.21 0.00 0.00 0.00 0.00 23.12 23.34 2ayx s ALA 854 CO 0.03 -0.27 0.49 -1.71 0.00 0.00 0.00 175.76 174.30 2ayx n ASN 855 N 1.21 0.94 0.00 0.00 4.05 -1.26 -2.45 115.26 117.74 2ayx n ASN 855 Ca -0.21 -2.78 0.00 0.00 0.45 0.00 0.00 54.58 52.04 2ayx n ASN 855 Cb 0.56 -0.63 0.00 0.00 1.23 0.00 0.00 39.78 40.94 2ayx n ASN 855 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2ayx n ASP 856 N 1.89 0.00 -0.09 1.20 -0.08 -1.26 -4.99 116.55 113.23 2ayx n ASP 856 Ca 0.25 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.30 2ayx n ASP 856 Cb 0.47 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.81 2ayx n ASP 856 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ayx n GLY 857 N -0.72 -0.67 0.15 0.27 0.00 -1.26 -3.94 105.19 99.02 2ayx n GLY 857 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 2ayx n GLY 857 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2ayx h VAL 858 N -0.71 1.40 -0.40 1.61 -1.51 -1.97 -2.98 116.25 111.69 2ayx h VAL 858 Ca -0.46 -1.98 -0.05 0.00 -1.23 0.00 0.00 66.70 62.98 2ayx h VAL 858 Cb 1.56 2.04 -0.02 0.00 -2.13 0.00 0.00 31.29 32.74 2ayx h VAL 858 CO -0.19 0.57 0.02 -0.78 -1.23 0.00 0.00 177.57 175.96 2ayx h ASP 859 N 0.07 0.59 0.09 4.19 3.58 -1.94 -1.02 116.42 121.98 2ayx h ASP 859 Ca -0.00 -0.12 -0.11 0.00 0.42 0.00 0.00 57.03 57.22 2ayx h ASP 859 Cb 1.05 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.93 2ayx h ASP 859 CO 0.08 0.65 -0.35 0.00 -2.88 0.00 0.00 179.24 176.74 2ayx h ALA 860 N 1.42 1.08 -0.03 -0.78 0.00 -1.64 -2.69 119.26 116.62 2ayx h ALA 860 Ca 0.13 -0.39 -0.16 0.00 0.00 0.00 0.00 54.91 54.49 2ayx h ALA 860 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2ayx h ALA 860 CO 0.01 0.58 -0.71 1.25 0.00 0.00 0.00 179.25 180.38 2ayx h LEU 861 N 0.31 0.23 -0.24 0.00 5.85 -1.33 -2.33 115.31 117.80 2ayx h LEU 861 Ca 0.04 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 2ayx h LEU 861 Cb 0.77 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 2ayx h LEU 861 CO 0.06 0.86 0.11 -1.13 -0.34 0.00 0.00 178.44 177.99 2ayx h ASN 862 N 0.13 0.32 0.33 1.25 -1.24 -0.89 -2.15 115.58 113.32 2ayx h ASN 862 Ca -0.02 -0.15 -0.10 0.00 0.71 0.00 0.00 56.30 56.75 2ayx h ASN 862 Cb 1.26 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 40.21 2ayx h ASN 862 CO 0.11 0.38 -0.42 -0.37 -1.29 0.00 0.00 177.43 175.83 2ayx h VAL 863 N 0.24 1.31 -0.46 2.57 -1.51 -1.51 -2.45 116.25 114.44 2ayx h VAL 863 Ca 0.08 -1.50 -0.01 0.00 -1.23 0.00 0.00 66.70 64.04 2ayx h VAL 863 Cb 0.15 1.74 -0.02 0.00 -2.13 0.00 0.00 31.29 31.03 2ayx h VAL 863 CO -0.01 0.44 0.26 0.25 -1.23 0.00 0.00 177.57 177.28 2ayx h LEU 864 N 0.11 0.56 0.08 4.19 7.12 -0.96 0.48 115.31 126.88 2ayx h LEU 864 Ca 0.01 -0.03 -0.26 0.00 0.13 0.00 0.00 57.88 57.73 2ayx h LEU 864 Cb 0.79 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.77 2ayx h LEU 864 CO 0.06 0.45 -1.22 0.77 -0.13 0.00 0.00 178.44 178.36 2ayx h SER 865 N 0.64 0.28 -0.24 1.25 4.64 -1.16 -3.30 113.55 115.66 2ayx h SER 865 Ca 0.17 -0.31 -0.04 0.00 -0.47 0.00 0.00 61.79 61.13 2ayx h SER 865 Cb 0.01 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 2ayx h SER 865 CO -0.03 1.25 0.00 0.50 -0.87 0.00 0.00 176.83 177.68 2ayx h LYS 866 N 0.05 0.42 -3.18 4.77 1.63 -0.93 -3.43 116.57 115.90 2ayx h LYS 866 Ca -0.12 -0.13 -0.23 0.00 -0.85 0.00 0.00 60.65 59.32 2ayx h LYS 866 Cb 1.92 -0.04 -0.31 0.00 -0.60 0.00 0.00 32.23 33.20 2ayx h LYS 866 CO 0.17 0.60 -0.57 1.21 -3.45 0.00 0.00 179.45 177.41 2ayx s ASN 867 N -5.92 -0.10 -0.96 4.20 2.47 0.10 -5.08 114.94 109.65 2ayx s ASN 867 Ca -0.14 0.37 -0.24 0.00 0.42 0.00 0.00 52.86 53.27 2ayx s ASN 867 Cb 0.07 0.26 -0.04 0.00 -1.45 0.00 0.00 41.25 40.09 2ayx s ASN 867 CO 0.74 -0.16 1.90 -2.28 -3.72 0.00 0.00 177.10 173.59 2ayx s HIS 868 N 1.28 1.90 0.34 0.43 2.46 -1.24 -4.16 115.29 116.29 2ayx s HIS 868 Ca -0.08 0.46 -0.29 0.00 0.47 0.00 0.00 55.06 55.62 2ayx s HIS 868 Cb -0.11 -4.10 -0.10 0.00 -0.13 0.00 0.00 32.58 28.13 2ayx s HIS 868 CO -0.07 -1.68 1.35 0.42 -2.47 0.00 0.00 174.74 172.29 2ayx s ILE 869 N 9.75 2.56 -0.05 0.89 1.09 -1.26 -4.97 121.20 129.21 2ayx s ILE 869 Ca 0.68 0.57 -0.11 0.00 -1.10 0.00 0.00 60.65 60.68 2ayx s ILE 869 Cb -0.05 -3.36 -0.06 0.00 -1.06 0.00 0.00 42.46 37.93 2ayx s ILE 869 CO 0.01 0.13 0.47 0.44 -0.10 0.00 0.00 174.94 175.89 2ayx h ASP 870 N 3.32 -0.34 -3.31 3.58 3.32 -1.65 -3.45 116.42 117.89 2ayx h ASP 870 Ca -0.49 0.01 -0.67 0.00 0.02 0.00 0.00 57.03 55.90 2ayx h ASP 870 Cb 1.23 0.09 -0.31 0.00 0.22 0.00 0.00 39.33 40.56 2ayx h ASP 870 CO 0.65 0.09 -0.83 -0.63 -1.72 0.00 0.00 179.24 176.81 2ayx s ILE 871 N -2.86 2.49 -0.16 0.35 -1.09 -1.17 -4.07 121.20 114.70 2ayx s ILE 871 Ca -0.06 -0.85 -0.00 0.00 -2.23 0.00 0.00 60.65 57.50 2ayx s ILE 871 Cb 0.01 -2.01 -0.01 0.00 -1.58 0.00 0.00 42.46 38.87 2ayx s ILE 871 CO 0.18 0.54 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.60 2ayx s VAL 872 N 0.48 2.83 -0.22 2.92 1.01 -1.07 -0.81 120.40 125.54 2ayx s VAL 872 Ca -0.13 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 2ayx s VAL 872 Cb -0.17 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 2ayx s VAL 872 CO 0.05 0.51 0.00 -0.76 0.00 0.00 0.00 175.10 174.90 2ayx s LEU 873 N 0.80 3.17 -0.56 3.92 1.43 0.06 -0.54 118.68 126.95 2ayx s LEU 873 Ca -0.05 -0.27 -0.09 0.00 -1.03 0.00 0.00 54.13 52.69 2ayx s LEU 873 Cb -0.15 -1.82 0.14 0.00 0.03 0.00 0.00 46.19 44.39 2ayx s LEU 873 CO 0.01 0.01 0.44 -0.44 0.23 0.00 0.00 176.35 176.59 2ayx s SER 874 N 1.34 5.79 -0.41 2.29 0.01 0.07 -1.30 113.70 121.49 2ayx s SER 874 Ca 0.04 -2.23 -0.16 0.00 1.31 0.00 0.00 55.95 54.91 2ayx s SER 874 Cb -0.15 -2.01 0.02 0.00 0.21 0.00 0.00 66.02 64.09 2ayx s SER 874 CO 0.01 -0.61 0.39 -0.62 0.41 0.00 0.00 173.24 172.81 2ayx s ASP 875 N 2.20 6.16 -0.08 2.44 -1.08 0.39 -1.26 116.67 125.45 2ayx s ASP 875 Ca 0.10 -0.73 0.04 0.00 -0.52 0.00 0.00 52.55 51.44 2ayx s ASP 875 Cb -0.22 -2.20 -0.00 0.00 -1.46 0.00 0.00 42.92 39.03 2ayx s ASP 875 CO -0.03 -0.52 -0.22 -0.69 0.52 0.00 0.00 175.17 174.23 2ayx s VAL 876 N 1.97 1.86 -1.62 1.11 1.01 0.11 -1.92 120.40 122.92 2ayx s VAL 876 Ca 0.10 -0.92 0.21 0.00 0.00 0.00 0.00 61.98 61.36 2ayx s VAL 876 Cb -0.18 -1.60 0.68 0.00 0.00 0.00 0.00 36.38 35.28 2ayx s VAL 876 CO 0.12 0.52 1.58 -3.20 0.00 0.00 0.00 175.10 174.12 2ayx n ASN 877 N 3.36 4.29 -4.76 3.32 2.85 -1.26 -2.48 115.26 120.58 2ayx n ASN 877 Ca -0.19 -2.20 -0.41 0.00 -0.11 0.00 0.00 54.58 51.67 2ayx n ASN 877 Cb 0.53 -0.53 -0.03 0.00 1.24 0.00 0.00 39.78 40.99 2ayx n ASN 877 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 2ayx s MET 878 N -1.40 4.39 0.00 1.20 1.75 -1.26 -4.85 119.30 119.13 2ayx s MET 878 Ca 0.50 2.12 0.00 0.00 -1.25 0.00 0.00 55.69 57.06 2ayx s MET 878 Cb 0.29 -3.13 0.00 0.00 2.84 0.00 0.00 34.83 34.83 2ayx s MET 878 CO 0.29 -0.18 0.00 -2.30 -0.65 0.00 0.00 175.02 172.18 2ayx n PRO 879 N 1.59 3.62 -2.48 4.11 -0.02 -1.26 -4.66 135.00 135.90 2ayx n PRO 879 Ca 0.03 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.22 2ayx n PRO 879 Cb 0.42 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.90 2ayx n PRO 879 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2ayx s ASN 880 N -1.35 6.31 0.00 2.55 3.84 -1.26 -4.49 114.94 120.54 2ayx s ASN 880 Ca 0.00 1.10 0.00 0.00 0.21 0.00 0.00 52.86 54.17 2ayx s ASN 880 Cb 0.00 -2.32 0.00 0.00 -0.55 0.00 0.00 41.25 38.38 2ayx s ASN 880 CO 0.00 -0.62 0.00 0.80 -2.79 0.00 0.00 177.10 174.49 2ayx n MET 881 N -2.21 0.00 -3.16 0.43 1.56 -1.26 -4.93 117.12 107.55 2ayx n MET 881 Ca 0.02 0.00 -0.39 0.00 -0.27 0.00 0.00 57.70 57.06 2ayx n MET 881 Cb 0.55 0.00 -0.06 0.00 2.15 0.00 0.00 33.22 35.86 2ayx n MET 881 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2ayx s ASP 882 N 0.00 7.10 0.00 6.12 2.15 -1.26 -3.96 116.67 126.81 2ayx s ASP 882 Ca 0.00 1.30 0.00 0.00 0.43 0.00 0.00 52.55 54.28 2ayx s ASP 882 Cb 0.00 -2.40 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 2ayx s ASP 882 CO 0.00 0.16 0.00 0.61 -0.17 0.00 0.00 175.17 175.77 2ayx n GLY 883 N 2.08 1.24 0.09 2.66 0.00 -1.26 -4.80 105.19 105.20 2ayx n GLY 883 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 2ayx n GLY 883 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2ayx h TYR 884 N 0.00 0.19 -0.60 1.61 3.20 -2.00 -3.24 116.97 116.13 2ayx h TYR 884 Ca 0.00 -0.14 0.12 0.00 3.14 0.00 0.00 58.73 61.85 2ayx h TYR 884 Cb 0.00 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 2ayx h TYR 884 CO 0.00 1.16 0.41 -0.09 -1.64 0.00 0.00 178.16 178.00 2ayx h ARG 885 N 0.03 0.29 0.10 1.82 1.12 -1.93 -0.48 114.38 115.32 2ayx h ARG 885 Ca -0.18 -0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 58.67 2ayx h ARG 885 Cb 1.94 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 31.83 2ayx h ARG 885 CO 0.13 0.19 -0.05 1.25 -3.11 0.00 0.00 179.97 178.38 2ayx h LEU 886 N 0.29 -0.11 -0.38 3.80 5.85 -1.95 -1.98 115.31 120.83 2ayx h LEU 886 Ca 0.29 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2ayx h LEU 886 Cb 0.72 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 2ayx h LEU 886 CO -0.07 0.24 0.16 0.71 -0.34 0.00 0.00 178.44 179.15 2ayx h THR 887 N -0.49 1.19 -0.79 1.05 1.35 -1.46 0.63 112.91 114.40 2ayx h THR 887 Ca -0.01 -0.58 0.06 0.00 -0.55 0.00 0.00 66.41 65.33 2ayx h THR 887 Cb 0.40 0.86 -0.06 0.00 -1.73 0.00 0.00 68.15 67.62 2ayx h THR 887 CO 0.02 0.21 0.47 -0.61 -0.25 0.00 0.00 175.52 175.36 2ayx h GLN 888 N 0.48 0.84 -0.16 4.72 5.75 -1.16 -0.11 115.11 125.47 2ayx h GLN 888 Ca 0.13 -0.05 -0.21 0.00 -0.15 0.00 0.00 58.65 58.37 2ayx h GLN 888 Cb 0.18 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.55 2ayx h GLN 888 CO -0.01 0.55 -0.72 -0.09 -2.65 0.00 0.00 178.83 175.91 2ayx h ARG 889 N 0.86 0.71 -0.27 1.69 9.65 -1.01 -2.29 114.38 123.72 2ayx h ARG 889 Ca 0.35 -0.55 -0.15 0.00 -1.10 0.00 0.00 59.98 58.53 2ayx h ARG 889 Cb 0.18 0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.86 2ayx h ARG 889 CO -0.18 1.17 -0.43 0.97 2.80 0.00 0.00 179.97 184.30 2ayx h ILE 890 N 0.50 1.30 0.00 1.20 2.10 -0.39 0.22 117.51 122.44 2ayx h ILE 890 Ca -0.03 -1.62 -0.13 0.00 1.08 0.00 0.00 64.86 64.16 2ayx h ILE 890 Cb 1.33 1.56 -0.02 0.00 -1.09 0.00 0.00 36.82 38.60 2ayx h ILE 890 CO 0.14 0.52 -0.62 0.08 -1.08 0.00 0.00 178.15 177.20 2ayx h ARG 891 N 0.54 0.00 0.00 2.19 0.11 -1.07 -1.89 114.38 114.26 2ayx h ARG 891 Ca 0.04 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.97 2ayx h ARG 891 Cb 0.97 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.03 2ayx h ARG 891 CO 0.09 0.62 -0.72 1.96 0.10 0.00 0.00 179.97 182.01 2ayx h GLN 892 N 0.00 0.00 0.00 0.08 7.50 -1.09 -3.09 115.11 118.51 2ayx h GLN 892 Ca -0.01 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.14 2ayx h GLN 892 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.71 2ayx h GLN 892 CO 0.08 0.72 -0.03 1.28 -1.50 0.00 0.00 178.83 179.38 2ayx n LEU 893 N -3.39 0.25 -0.92 1.46 7.99 0.04 -4.94 117.00 117.49 2ayx n LEU 893 Ca 0.00 0.49 0.00 0.00 -0.01 0.00 0.00 56.01 56.50 2ayx n LEU 893 Cb 0.78 -0.44 0.00 0.00 -0.11 0.00 0.00 43.42 43.66 2ayx n LEU 893 CO 0.43 -0.04 0.00 0.61 -1.51 0.00 0.00 177.39 176.88 2ayx n GLY 894 N 1.45 0.78 3.72 -0.72 0.00 -1.07 -5.01 105.19 104.33 2ayx n GLY 894 Ca 0.06 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 2ayx n GLY 894 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2ayx n LEU 895 N -0.92 3.88 -2.67 0.99 -0.00 -0.74 -4.93 117.00 112.60 2ayx n LEU 895 Ca 0.00 1.15 -0.08 0.00 -0.00 0.00 0.00 56.01 57.07 2ayx n LEU 895 Cb 0.34 -1.53 0.04 0.00 -0.00 0.00 0.00 43.42 42.27 2ayx n LEU 895 CO 0.00 -0.10 -0.08 0.41 -0.00 0.00 0.00 177.39 177.61 2ayx n THR 896 N 1.99 0.95 -3.56 1.47 -1.04 -1.26 -5.03 114.28 107.80 2ayx n THR 896 Ca 0.09 -2.96 -0.16 0.00 -2.04 0.00 0.00 64.05 58.98 2ayx n THR 896 Cb 0.35 0.72 -0.06 0.00 -1.82 0.00 0.00 70.33 69.52 2ayx n THR 896 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 2ayx s LEU 897 N -3.16 -0.32 -0.32 -4.42 2.34 -1.26 -5.12 118.68 106.42 2ayx s LEU 897 Ca 0.27 0.46 -0.29 0.00 0.06 0.00 0.00 54.13 54.63 2ayx s LEU 897 Cb 0.45 2.28 -0.01 0.00 -0.56 0.00 0.00 46.19 48.36 2ayx s LEU 897 CO 0.03 -0.64 1.47 -2.84 -1.06 0.00 0.00 176.35 173.31 2ayx s PRO 898 N -1.66 3.72 -0.12 1.48 0.02 -1.26 -4.87 135.00 132.31 2ayx s PRO 898 Ca -0.09 1.28 0.01 0.00 0.02 0.00 0.00 61.00 62.21 2ayx s PRO 898 Cb -0.01 -4.00 -0.01 0.00 0.02 0.00 0.00 34.50 30.50 2ayx s PRO 898 CO 0.05 -1.38 -0.16 0.54 -0.33 0.00 0.00 177.00 175.73 2ayx s VAL 899 N 5.17 2.83 -0.32 3.83 0.11 -1.10 -2.60 120.40 128.32 2ayx s VAL 899 Ca 0.64 -0.75 -0.15 0.00 -2.93 0.00 0.00 61.98 58.79 2ayx s VAL 899 Cb -0.18 -2.16 -0.02 0.00 -1.53 0.00 0.00 36.38 32.48 2ayx s VAL 899 CO 0.29 0.54 0.38 -0.63 -3.33 0.00 0.00 175.10 172.34 2ayx s ILE 900 N 0.26 5.16 -0.51 7.04 1.01 0.30 -1.81 121.20 132.65 2ayx s ILE 900 Ca -0.11 0.26 -0.20 0.00 0.00 0.00 0.00 60.65 60.60 2ayx s ILE 900 Cb -0.16 -3.79 0.05 0.00 0.01 0.00 0.00 42.46 38.58 2ayx s ILE 900 CO 0.06 -0.01 0.68 -0.83 0.00 0.00 0.00 174.94 174.84 2ayx s GLY 901 N 1.71 1.71 -0.16 6.18 0.00 -0.04 -0.75 107.32 115.96 2ayx s GLY 901 Ca 0.13 -1.62 -0.01 0.00 0.00 0.00 0.00 44.72 43.22 2ayx s GLY 901 CO 0.11 1.58 -0.11 0.54 0.00 0.00 0.00 173.10 175.22 2ayx s VAL 902 N 2.87 3.08 0.15 1.40 0.11 -0.39 -1.10 120.40 126.52 2ayx s VAL 902 Ca 0.18 -0.63 -0.05 0.00 -2.93 0.00 0.00 61.98 58.55 2ayx s VAL 902 Cb -0.18 -2.33 -0.02 0.00 -1.53 0.00 0.00 36.38 32.32 2ayx s VAL 902 CO 0.14 0.50 0.17 -0.89 -3.33 0.00 0.00 175.10 171.68 2ayx s THR 903 N 0.76 0.08 -0.32 5.04 2.01 -0.77 -0.72 115.64 121.73 2ayx s THR 903 Ca -0.04 -1.64 0.03 0.00 0.31 0.00 0.00 61.69 60.35 2ayx s THR 903 Cb -0.15 -1.93 0.09 0.00 0.01 0.00 0.00 72.50 70.51 2ayx s THR 903 CO 0.01 -0.38 0.01 0.00 -0.69 0.00 0.00 174.62 173.57 2ayx s ALA 904 N -4.01 2.82 -1.20 7.40 0.00 -1.03 -1.05 121.76 124.69 2ayx s ALA 904 Ca 0.20 -2.30 -0.11 0.00 0.00 0.00 0.00 51.96 49.75 2ayx s ALA 904 Cb 0.05 -1.89 -0.01 0.00 0.00 0.00 0.00 23.12 21.27 2ayx s ALA 904 CO 0.01 -1.55 0.75 -1.71 0.00 0.00 0.00 175.76 173.26 2ayx n ASN 905 N 4.33 -3.86 -2.55 0.00 2.85 -1.26 -4.81 115.26 109.97 2ayx n ASN 905 Ca -0.02 -0.92 -0.32 0.00 -0.11 0.00 0.00 54.58 53.21 2ayx n ASN 905 Cb 0.42 -3.78 0.02 0.00 1.24 0.00 0.00 39.78 37.67 2ayx n ASN 905 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ayx n ALA 906 N -4.09 6.30 -0.75 5.20 0.00 -1.26 -4.82 120.51 121.08 2ayx n ALA 906 Ca -0.17 -3.36 0.00 0.00 0.00 0.00 0.00 53.44 49.91 2ayx n ALA 906 Cb 0.63 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.15 2ayx n ALA 906 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2ayx n LEU 907 N -0.05 0.00 -2.19 0.00 7.94 -1.26 -2.44 117.00 119.00 2ayx n LEU 907 Ca 0.51 0.00 -0.26 0.00 -1.11 0.00 0.00 56.01 55.15 2ayx n LEU 907 Cb 0.45 0.00 0.13 0.00 0.53 0.00 0.00 43.42 44.54 2ayx n LEU 907 CO 0.49 0.00 1.30 0.00 -1.11 0.00 0.00 177.39 178.07 2ayx n ALA 908 N 8.97 5.67 -0.19 1.96 0.00 -1.26 -4.67 120.51 130.99 2ayx n ALA 908 Ca 0.00 -2.88 -0.00 0.00 0.00 0.00 0.00 53.44 50.56 2ayx n ALA 908 Cb 0.00 -1.53 0.09 0.00 0.00 0.00 0.00 19.45 18.02 2ayx n ALA 908 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2ayx h GLU 909 N 1.28 0.23 -0.53 0.00 4.11 -1.89 0.70 114.58 118.50 2ayx h GLU 909 Ca 0.58 -0.01 -0.07 0.00 0.07 0.00 0.00 59.36 59.93 2ayx h GLU 909 Cb 2.06 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 31.23 2ayx h GLU 909 CO 1.19 0.15 0.05 1.05 0.07 0.00 0.00 179.01 181.52 2ayx h GLU 910 N 0.24 0.85 -0.27 1.06 4.11 -1.89 -0.10 114.58 118.57 2ayx h GLU 910 Ca 0.30 -0.21 -0.13 0.00 0.07 0.00 0.00 59.36 59.38 2ayx h GLU 910 Cb 0.43 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2ayx h GLU 910 CO -0.39 0.82 -0.35 -0.22 0.07 0.00 0.00 179.01 178.94 2ayx h LYS 911 N 0.80 0.71 -0.84 1.06 3.11 -1.68 -2.66 116.57 117.07 2ayx h LYS 911 Ca 0.16 -0.40 -0.02 0.00 -2.81 0.00 0.00 60.65 57.58 2ayx h LYS 911 Cb 0.41 0.03 -0.04 0.00 -1.00 0.00 0.00 32.23 31.63 2ayx h LYS 911 CO 0.01 1.02 0.45 1.96 -2.81 0.00 0.00 179.45 180.08 2ayx h GLN 912 N 0.44 1.18 -0.46 1.90 4.20 -0.54 0.39 115.11 122.23 2ayx h GLN 912 Ca 0.03 -0.15 0.01 0.00 0.06 0.00 0.00 58.65 58.60 2ayx h GLN 912 Cb 0.93 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 2ayx h GLN 912 CO 0.08 0.88 0.30 0.00 -0.67 0.00 0.00 178.83 179.42 2ayx h ARG 913 N 1.18 0.59 -0.36 1.46 3.08 -0.97 0.21 114.38 119.57 2ayx h ARG 913 Ca 0.29 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.27 2ayx h ARG 913 Cb 0.05 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 2ayx h ARG 913 CO -0.04 0.39 0.08 0.00 -1.07 0.00 0.00 179.97 179.33 2ayx h LEU 915 N 0.44 0.74 -0.36 0.00 7.12 -0.62 -2.61 115.31 120.02 2ayx h LEU 915 Ca 0.11 -0.02 -0.08 0.00 0.13 0.00 0.00 57.88 58.02 2ayx h LEU 915 Cb 0.32 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.25 2ayx h LEU 915 CO 0.00 0.54 -0.10 -0.33 -0.13 0.00 0.00 178.44 178.42 2ayx h GLU 916 N 0.88 0.70 -4.82 1.25 4.39 -0.86 -3.47 114.58 112.65 2ayx h GLU 916 Ca 0.24 -0.27 -0.34 0.00 0.34 0.00 0.00 59.36 59.33 2ayx h GLU 916 Cb -0.09 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.49 2ayx h GLU 916 CO -0.06 0.86 -0.49 0.43 -1.16 0.00 0.00 179.01 178.59 2ayx n SER 917 N -4.38 -4.13 -1.53 1.42 7.64 -0.30 -4.85 113.62 107.49 2ayx n SER 917 Ca -0.02 -0.20 -0.03 0.00 1.01 0.00 0.00 58.87 59.63 2ayx n SER 917 Cb 0.35 -3.43 0.26 0.00 -1.01 0.00 0.00 64.21 60.39 2ayx n SER 917 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ayx n GLY 918 N -1.12 4.10 0.00 0.23 0.00 -1.26 -4.82 105.19 102.32 2ayx n GLY 918 Ca -0.07 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.88 2ayx n GLY 918 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ayx n MET 919 N -0.53 0.00 0.00 1.61 2.81 -1.26 -4.77 117.12 114.97 2ayx n MET 919 Ca 0.35 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.24 2ayx n MET 919 Cb 1.20 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.71 2ayx n MET 919 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2ayx n ASP 920 N 0.00 0.00 -4.66 7.83 -0.08 -0.75 -2.73 116.55 116.16 2ayx n ASP 920 Ca 0.00 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 53.04 2ayx n ASP 920 Cb 0.00 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.38 2ayx n ASP 920 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2ayx s SER 921 N 0.00 4.29 -0.11 1.67 1.04 -1.08 -5.01 113.70 114.51 2ayx s SER 921 Ca 0.00 -0.98 -0.08 0.00 0.48 0.00 0.00 55.95 55.38 2ayx s SER 921 Cb 0.00 -0.56 0.04 0.00 0.10 0.00 0.00 66.02 65.60 2ayx s SER 921 CO 0.00 -0.30 0.27 0.00 0.98 0.00 0.00 173.24 174.19 2ayx n LEU 923 N 3.57 0.00 -4.78 0.00 -0.00 -0.26 -4.96 117.00 110.57 2ayx n LEU 923 Ca -0.19 -1.59 -0.26 0.00 -0.00 0.00 0.00 56.01 53.97 2ayx n LEU 923 Cb 0.56 2.00 -0.06 0.00 -0.00 0.00 0.00 43.42 45.92 2ayx n LEU 923 CO 0.15 -0.47 -0.23 -0.94 -0.00 0.00 0.00 177.39 175.90 2ayx s SER 924 N -2.25 5.43 0.25 1.45 1.04 -1.26 -1.84 113.70 116.52 2ayx s SER 924 Ca 0.12 -0.16 -0.04 0.00 0.48 0.00 0.00 55.95 56.36 2ayx s SER 924 Cb -0.02 -1.39 0.45 0.00 0.10 0.00 0.00 66.02 65.16 2ayx s SER 924 CO 0.09 0.08 1.76 0.50 0.98 0.00 0.00 173.24 176.65 2ayx h LYS 925 N 2.48 0.57 -5.03 4.02 3.64 -1.38 -3.26 116.57 117.62 2ayx h LYS 925 Ca -0.48 -0.03 -0.41 0.00 -1.27 0.00 0.00 60.65 58.46 2ayx h LYS 925 Cb 1.20 -0.13 0.03 0.00 -0.41 0.00 0.00 32.23 32.92 2ayx h LYS 925 CO 0.63 0.38 1.29 -2.30 -2.27 0.00 0.00 179.45 177.18 2ayx n PRO 926 N -4.89 1.02 -4.10 1.90 -0.02 -1.26 -4.91 135.00 122.74 2ayx n PRO 926 Ca 0.15 -1.89 -0.28 0.00 -2.02 0.00 0.00 63.50 59.45 2ayx n PRO 926 Cb 0.37 -3.32 -0.06 0.00 -0.02 0.00 0.00 33.50 30.47 2ayx n PRO 926 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2ayx s VAL 927 N 9.75 4.28 0.14 -1.45 0.11 -1.23 -5.12 120.40 126.88 2ayx s VAL 927 Ca 0.68 -1.06 -0.06 0.00 -2.93 0.00 0.00 61.98 58.61 2ayx s VAL 927 Cb 0.06 -3.13 -0.06 0.00 -1.53 0.00 0.00 36.38 31.72 2ayx s VAL 927 CO 0.18 -0.02 0.39 -0.89 -3.33 0.00 0.00 175.10 171.43 2ayx s THR 928 N -1.59 5.14 0.33 5.04 2.01 -1.26 -4.99 115.64 120.32 2ayx s THR 928 Ca 0.29 0.10 0.05 0.00 0.31 0.00 0.00 61.69 62.44 2ayx s THR 928 Cb -0.11 -3.62 0.30 0.00 0.01 0.00 0.00 72.50 69.08 2ayx s THR 928 CO 0.21 0.05 1.90 0.25 -0.69 0.00 0.00 174.62 176.34 2ayx h LEU 929 N 2.88 0.77 -1.26 4.42 7.12 -2.00 -0.18 115.31 127.06 2ayx h LEU 929 Ca -0.46 0.02 -0.07 0.00 0.13 0.00 0.00 57.88 57.50 2ayx h LEU 929 Cb 1.17 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 41.15 2ayx h LEU 929 CO 0.72 0.45 -0.32 -2.24 -0.13 0.00 0.00 178.44 176.92 2ayx h ASP 930 N 0.85 0.00 0.03 1.25 2.03 -1.99 -1.73 116.42 116.86 2ayx h ASP 930 Ca 0.41 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.71 2ayx h ASP 930 Cb 0.43 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.93 2ayx h ASP 930 CO -0.17 0.32 -0.01 0.58 -1.03 0.00 0.00 179.24 178.93 2ayx h VAL 931 N 0.00 1.42 -0.76 4.15 2.07 -1.45 -1.99 116.25 119.69 2ayx h VAL 931 Ca -0.00 -1.73 0.04 0.00 0.82 0.00 0.00 66.70 65.83 2ayx h VAL 931 Cb 0.69 2.52 -0.04 0.00 -1.52 0.00 0.00 31.29 32.94 2ayx h VAL 931 CO 0.04 0.42 0.50 -0.29 0.02 0.00 0.00 177.57 178.26 2ayx h ILE 932 N -0.83 1.10 -0.17 4.57 -0.00 -1.33 -1.80 117.51 119.05 2ayx h ILE 932 Ca -0.00 -0.31 -0.02 0.00 -0.00 0.00 0.00 64.86 64.53 2ayx h ILE 932 Cb 0.72 0.12 -0.01 0.00 -0.00 0.00 0.00 36.82 37.65 2ayx h ILE 932 CO 0.01 0.16 0.02 0.50 -0.00 0.00 0.00 178.15 178.84 2ayx h LYS 933 N 0.90 0.29 -0.62 2.19 3.11 -1.36 -1.24 116.57 119.84 2ayx h LYS 933 Ca 0.31 -0.08 -0.04 0.00 -2.81 0.00 0.00 60.65 58.02 2ayx h LYS 933 Cb 0.10 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.27 2ayx h LYS 933 CO -0.09 0.46 0.22 -0.56 -2.81 0.00 0.00 179.45 176.67 2ayx h GLN 934 N 0.07 0.95 -0.38 1.90 3.07 -0.84 -0.00 115.11 119.88 2ayx h GLN 934 Ca 0.05 -0.19 -0.15 0.00 0.09 0.00 0.00 58.65 58.45 2ayx h GLN 934 Cb 0.32 -0.14 -0.01 0.00 0.08 0.00 0.00 27.48 27.73 2ayx h GLN 934 CO 0.00 0.83 -0.36 1.15 0.09 0.00 0.00 178.83 180.55 2ayx h THR 935 N 0.88 1.27 0.39 1.86 2.02 -1.33 -1.03 112.91 116.99 2ayx h THR 935 Ca 0.20 -1.53 -0.02 0.00 0.77 0.00 0.00 66.41 65.83 2ayx h THR 935 Cb 0.26 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 2ayx h THR 935 CO -0.01 0.51 -0.19 -0.07 0.37 0.00 0.00 175.52 176.13 2ayx h LEU 936 N 0.74 -0.45 -0.79 2.58 4.07 -0.95 -0.67 115.31 119.83 2ayx h LEU 936 Ca 0.07 -0.09 -0.00 0.00 0.08 0.00 0.00 57.88 57.94 2ayx h LEU 936 Cb 0.94 0.12 -0.04 0.00 1.08 0.00 0.00 40.66 42.75 2ayx h LEU 936 CO 0.09 -0.17 0.49 0.74 -1.08 0.00 0.00 178.44 178.51 2ayx h THR 937 N -0.72 1.22 -0.49 0.22 2.02 -1.03 0.02 112.91 114.15 2ayx h THR 937 Ca -0.05 -0.45 -0.13 0.00 0.77 0.00 0.00 66.41 66.55 2ayx h THR 937 Cb 0.51 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 2ayx h THR 937 CO 0.09 0.22 -0.19 0.25 0.37 0.00 0.00 175.52 176.26 2ayx h LEU 938 N 1.08 1.02 -0.32 2.58 6.46 -1.15 -2.38 115.31 122.61 2ayx h LEU 938 Ca 0.29 -0.39 -0.13 0.00 -0.12 0.00 0.00 57.88 57.53 2ayx h LEU 938 Cb -0.07 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 39.56 2ayx h LEU 938 CO -0.06 1.18 -0.62 1.88 -0.62 0.00 0.00 178.44 180.20 2ayx h TYR 939 N 0.86 0.00 -0.47 1.25 0.05 -0.88 -1.39 116.97 116.39 2ayx h TYR 939 Ca 0.12 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.85 2ayx h TYR 939 Cb 0.77 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.49 2ayx h TYR 939 CO 0.05 0.62 0.13 0.00 -1.05 0.00 0.00 178.16 177.91 2ayx h ALA 940 N 1.38 0.62 0.00 3.88 0.00 -0.85 -1.62 119.26 122.67 2ayx h ALA 940 Ca -0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2ayx h ALA 940 Cb 1.34 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2ayx h ALA 940 CO 0.08 0.29 -0.14 1.05 0.00 0.00 0.00 179.25 180.53 2ayx h GLU 941 N 0.63 0.00 -0.13 0.00 4.11 -1.33 -1.10 114.58 116.76 2ayx h GLU 941 Ca 0.15 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.55 2ayx h GLU 941 Cb 0.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2ayx h GLU 941 CO -0.00 0.14 -0.04 -0.09 0.07 0.00 0.00 179.01 179.09 2ayx h ARG 942 N 0.00 0.25 -0.04 1.06 9.65 -0.70 -0.32 114.38 124.28 2ayx h ARG 942 Ca -0.00 -0.10 -0.18 0.00 -1.10 0.00 0.00 59.98 58.60 2ayx h ARG 942 Cb 0.79 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.35 2ayx h ARG 942 CO 0.02 0.55 -0.75 -0.39 2.80 0.00 0.00 179.97 182.20 2ayx h VAL 943 N -0.06 1.44 -0.25 0.20 -1.51 -1.25 -1.70 116.25 113.12 2ayx h VAL 943 Ca 0.03 -2.30 0.02 0.00 -1.23 0.00 0.00 66.70 63.22 2ayx h VAL 943 Cb 0.46 2.24 -0.02 0.00 -2.13 0.00 0.00 31.29 31.84 2ayx h VAL 943 CO 0.01 0.68 0.11 -0.09 -1.23 0.00 0.00 177.57 177.05 2ayx h ARG 944 N 0.16 0.23 0.00 5.19 2.43 -1.14 -1.85 114.38 119.40 2ayx h ARG 944 Ca -0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2ayx h ARG 944 Cb 1.32 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2ayx h ARG 944 CO 0.12 0.16 0.00 1.57 -1.51 0.00 0.00 179.97 180.30 2ayx h LYS 945 N 0.24 0.00 0.00 0.20 2.10 -0.99 -0.01 116.57 118.11 2ayx h LYS 945 Ca 0.10 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.73 2ayx h LYS 945 Cb 0.05 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.37 2ayx h LYS 945 CO -0.08 0.00 -0.12 0.77 -2.00 0.00 0.00 179.45 178.02 2ayx h SER 946 N 0.00 0.00 0.26 7.07 0.02 -0.53 0.20 113.55 120.58 2ayx h SER 946 Ca 0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 2ayx h SER 946 Cb 0.73 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.21 2ayx h SER 946 CO 0.00 0.12 -2.02 -1.14 -1.14 0.00 0.00 176.83 172.65 2ayx n ARG 947 N -3.24 0.66 0.01 3.45 0.00 -0.82 -4.55 116.66 112.17 2ayx n ARG 947 Ca 0.01 0.16 -0.18 0.00 -0.00 0.00 0.00 57.85 57.84 2ayx n ARG 947 Cb 0.39 -1.67 -0.13 0.00 0.00 0.00 0.00 32.46 31.05 2ayx n ARG 947 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 2ayx h ASP 948 N 0.00 0.34 -0.03 6.15 3.58 -0.77 -3.52 116.42 122.18 2ayx h ASP 948 Ca -0.41 -0.91 0.00 0.00 0.42 0.00 0.00 57.03 56.13 2ayx h ASP 948 Cb 2.12 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 43.06 2ayx h ASP 948 CO 0.06 1.22 0.00 -1.20 -2.88 0.00 0.00 179.24 176.44