#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 0.08 3.37 3.17 0.00 -1.26 -5.04 105.19 105.51 2ayx n GLY 697 Ca 0.00 0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2ayx n GLY 697 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ayx s GLY 698 N -2.97 1.67 0.05 -0.02 0.00 -1.26 -5.01 107.32 99.78 2ayx s GLY 698 Ca 0.12 -1.13 -0.32 0.00 0.00 0.00 0.00 44.72 43.39 2ayx s GLY 698 CO 0.24 0.44 1.46 1.48 0.00 0.00 0.00 173.10 176.72 2ayx h SER 699 N 8.08 -0.79 0.00 1.64 4.64 -2.10 -3.48 113.55 121.54 2ayx h SER 699 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2ayx h SER 699 Cb 1.17 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 2ayx h SER 699 CO 0.59 -0.50 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 2ayx n GLY 700 N -1.20 0.93 3.85 -0.77 0.00 -1.26 -4.77 105.19 101.98 2ayx n GLY 700 Ca -0.13 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 2ayx n GLY 700 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ayx s VAL 701 N 0.00 5.15 0.00 1.61 -7.23 -1.26 -5.06 120.40 113.61 2ayx s VAL 701 Ca 0.00 0.61 0.00 0.00 -1.81 0.00 0.00 61.98 60.78 2ayx s VAL 701 Cb 0.00 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 33.31 2ayx s VAL 701 CO 0.00 0.52 0.00 -0.62 -0.31 0.00 0.00 175.10 174.69 2ayx n GLU 702 N 1.64 0.39 0.00 4.82 1.02 -1.26 -5.00 120.64 122.25 2ayx n GLU 702 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 2ayx n GLU 702 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.95 2ayx n GLU 702 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ayx n GLY 703 N 2.85 2.08 0.06 0.62 0.00 -1.26 -4.56 105.19 104.98 2ayx n GLY 703 Ca 0.00 -0.36 -0.05 0.00 0.00 0.00 0.00 46.02 45.61 2ayx n GLY 703 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ayx h LEU 704 N 0.00 0.00 -9.62 0.99 3.38 -1.93 -3.43 115.31 104.69 2ayx h LEU 704 Ca 0.00 -0.31 -0.53 0.00 0.09 0.00 0.00 57.88 57.13 2ayx h LEU 704 Cb 0.00 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.79 2ayx h LEU 704 CO 0.00 0.68 0.80 -0.44 0.09 0.00 0.00 178.44 179.57 2ayx s SER 705 N -5.78 6.68 0.00 -0.43 0.01 -1.26 -2.90 113.70 110.01 2ayx s SER 705 Ca -0.07 2.54 0.00 0.00 1.31 0.00 0.00 55.95 59.73 2ayx s SER 705 Cb -0.01 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2ayx s SER 705 CO 0.23 -0.74 0.00 0.61 0.41 0.00 0.00 173.24 173.75 2ayx n GLY 706 N 3.31 1.20 3.72 3.44 0.00 -0.31 -5.00 105.19 111.54 2ayx n GLY 706 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.66 4.51 0.16 1.61 -0.14 -1.14 -4.78 119.74 119.29 2ayx s LYS 707 Ca 0.00 1.70 -0.01 0.00 -1.36 0.00 0.00 55.97 56.30 2ayx s LYS 707 Cb 0.00 -3.34 -0.04 0.00 -1.68 0.00 0.00 37.83 32.77 2ayx s LYS 707 CO 0.00 -0.11 0.35 0.50 -0.76 0.00 0.00 175.35 175.33 2ayx s ARG 708 N 0.56 3.52 -0.13 1.68 3.52 -1.26 -0.57 118.95 126.27 2ayx s ARG 708 Ca 0.55 -0.32 -0.01 0.00 -0.13 0.00 0.00 55.73 55.82 2ayx s ARG 708 Cb -0.28 -2.88 0.03 0.00 -1.56 0.00 0.00 34.95 30.26 2ayx s ARG 708 CO 0.31 0.46 -0.05 0.00 -0.81 0.00 0.00 175.30 175.21 2ayx s TRP 710 N 1.71 3.26 -0.07 0.00 0.52 -0.86 -0.81 118.94 122.69 2ayx s TRP 710 Ca 0.03 0.47 0.04 0.00 0.02 0.00 0.00 56.10 56.67 2ayx s TRP 710 Cb -0.14 -2.61 -0.00 0.00 -1.15 0.00 0.00 33.47 29.58 2ayx s TRP 710 CO -0.08 -0.23 -0.21 -0.48 0.02 0.00 0.00 176.95 175.97 2ayx s LEU 711 N 2.10 1.99 -0.57 2.99 2.34 -0.87 -0.82 118.68 125.84 2ayx s LEU 711 Ca 0.17 -0.47 0.07 0.00 0.06 0.00 0.00 54.13 53.95 2ayx s LEU 711 Cb -0.16 -1.24 0.25 0.00 -0.56 0.00 0.00 46.19 44.48 2ayx s LEU 711 CO 0.10 0.16 0.67 0.00 -1.06 0.00 0.00 176.35 176.22 2ayx n ALA 712 N 3.34 3.59 -3.91 1.48 0.00 0.23 -0.92 120.51 124.32 2ayx n ALA 712 Ca -0.19 -4.37 -0.28 0.00 0.00 0.00 0.00 53.44 48.60 2ayx n ALA 712 Cb 0.53 -0.88 -0.17 0.00 0.00 0.00 0.00 19.45 18.93 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 -2.07 1.18 -1.16 0.00 1.01 -1.26 -1.47 120.40 116.62 2ayx s VAL 713 Ca 0.38 -0.39 0.25 0.00 0.00 0.00 0.00 61.98 62.22 2ayx s VAL 713 Cb 0.15 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.38 2ayx s VAL 713 CO -0.04 0.39 1.35 0.54 0.00 0.00 0.00 175.10 177.34 2ayx n ARG 714 N 4.83 0.18 -2.76 2.72 3.00 -1.26 -4.71 116.66 118.66 2ayx n ARG 714 Ca -0.14 -0.12 -0.43 0.00 -0.01 0.00 0.00 57.85 57.15 2ayx n ARG 714 Cb 0.50 -1.50 -0.03 0.00 0.00 0.00 0.00 32.46 31.43 2ayx n ARG 714 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 2ayx s ASN 715 N -2.90 6.68 0.20 0.55 3.84 -1.26 -4.94 114.94 117.12 2ayx s ASN 715 Ca 0.13 0.57 -0.10 0.00 0.21 0.00 0.00 52.86 53.67 2ayx s ASN 715 Cb 0.18 -2.48 0.19 0.00 -0.55 0.00 0.00 41.25 38.58 2ayx s ASN 715 CO 0.69 -0.93 1.83 0.00 -2.79 0.00 0.00 177.10 175.90 2ayx h ALA 716 N 8.58 0.85 -0.32 1.71 0.00 -1.98 0.39 119.26 128.50 2ayx h ALA 716 Ca -0.23 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 2ayx h ALA 716 Cb 1.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2ayx h ALA 716 CO 1.01 0.11 0.09 0.66 0.00 0.00 0.00 179.25 181.12 2ayx h SER 717 N 0.75 0.48 0.04 0.00 4.64 -1.97 -0.38 113.55 117.09 2ayx h SER 717 Ca 0.27 -0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2ayx h SER 717 Cb 0.08 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 2ayx h SER 717 CO -0.13 0.57 -0.02 0.25 -0.87 0.00 0.00 176.83 176.63 2ayx h LEU 718 N 0.36 -0.04 -0.28 5.97 6.46 -1.71 -2.57 115.31 123.49 2ayx h LEU 718 Ca 0.10 -0.34 -0.06 0.00 -0.12 0.00 0.00 57.88 57.47 2ayx h LEU 718 Cb 0.27 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 2ayx h LEU 718 CO -0.00 0.32 -0.05 0.00 -0.62 0.00 0.00 178.44 178.09 2ayx h GLN 720 N 0.30 0.88 -0.18 0.00 5.75 -1.15 -0.32 115.11 120.40 2ayx h GLN 720 Ca 0.07 -0.25 -0.00 0.00 -0.15 0.00 0.00 58.65 58.32 2ayx h GLN 720 Cb 0.52 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 2ayx h GLN 720 CO 0.02 0.87 0.11 0.35 -2.65 0.00 0.00 178.83 177.54 2ayx h PHE 721 N 0.81 0.23 -0.08 3.99 3.57 -1.35 -0.15 116.94 123.98 2ayx h PHE 721 Ca 0.15 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 2ayx h PHE 721 Cb 0.49 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 2ayx h PHE 721 CO 0.03 0.18 0.00 -0.07 -2.23 0.00 0.00 178.31 176.21 2ayx h LEU 722 N 0.22 0.13 -1.12 0.59 3.38 -1.31 -2.57 115.31 114.63 2ayx h LEU 722 Ca 0.06 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 2ayx h LEU 722 Cb 0.01 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2ayx h LEU 722 CO -0.01 0.41 0.33 1.05 0.09 0.00 0.00 178.44 180.30 2ayx h GLU 723 N -0.15 0.94 -0.36 1.13 4.11 -0.92 -0.64 114.58 118.68 2ayx h GLU 723 Ca 0.02 -0.12 -0.14 0.00 0.07 0.00 0.00 59.36 59.19 2ayx h GLU 723 Cb 0.34 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2ayx h GLU 723 CO 0.00 0.72 -0.32 1.15 0.07 0.00 0.00 179.01 180.63 2ayx h THR 724 N 0.94 1.28 0.00 -1.06 2.02 -1.02 -0.50 112.91 114.57 2ayx h THR 724 Ca 0.23 -1.48 -0.09 0.00 0.77 0.00 0.00 66.41 65.84 2ayx h THR 724 Cb 0.09 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 2ayx h THR 724 CO -0.03 0.49 -0.45 0.28 0.37 0.00 0.00 175.52 176.18 2ayx h SER 725 N 0.68 0.00 0.15 4.18 0.02 -0.93 -1.40 113.55 116.25 2ayx h SER 725 Ca 0.07 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.82 2ayx h SER 725 Cb 0.87 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.43 2ayx h SER 725 CO 0.08 0.45 -0.88 -0.07 -1.14 0.00 0.00 176.83 175.27 2ayx h LEU 726 N 0.00 0.49 0.00 5.07 3.38 -0.94 -3.21 115.31 120.11 2ayx h LEU 726 Ca -0.00 -0.95 0.00 0.00 0.09 0.00 0.00 57.88 57.01 2ayx h LEU 726 Cb 0.88 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2ayx h LEU 726 CO 0.06 1.42 0.00 0.00 0.09 0.00 0.00 178.44 180.01 2ayx n GLN 727 N -4.09 0.13 0.24 1.13 10.64 -0.22 -2.47 117.38 122.74 2ayx n GLN 727 Ca -0.14 0.16 0.07 0.00 -1.83 0.00 0.00 57.00 55.26 2ayx n GLN 727 Cb 0.85 -1.50 0.59 0.00 -0.86 0.00 0.00 30.24 29.31 2ayx n GLN 727 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 2ayx h ARG 728 N 0.00 0.00 0.00 2.61 2.43 -1.25 -3.40 114.38 114.78 2ayx h ARG 728 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2ayx h ARG 728 Cb 0.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2ayx h ARG 728 CO 0.00 0.12 0.00 -1.13 -1.51 0.00 0.00 179.97 177.45 2ayx n SER 729 N -4.26 0.00 -0.48 -3.80 3.41 -1.09 -5.02 113.62 102.38 2ayx n SER 729 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 2ayx n SER 729 Cb 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 2ayx n SER 729 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ayx n GLY 730 N 3.38 0.94 3.70 5.00 0.00 -1.24 -4.92 105.19 112.05 2ayx n GLY 730 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 4.75 -1.03 -0.61 -1.09 -1.03 -1.16 121.20 121.02 2ayx s ILE 731 Ca 0.00 1.99 -0.23 0.00 -2.23 0.00 0.00 60.65 60.18 2ayx s ILE 731 Cb 0.00 -4.28 0.04 0.00 -1.58 0.00 0.00 42.46 36.65 2ayx s ILE 731 CO 0.00 0.09 1.51 -0.69 -1.23 0.00 0.00 174.94 174.62 2ayx s VAL 732 N 1.44 3.90 -0.19 2.92 1.01 0.26 -3.99 120.40 125.75 2ayx s VAL 732 Ca 0.51 -0.81 -0.29 0.00 0.00 0.00 0.00 61.98 61.39 2ayx s VAL 732 Cb -0.21 -4.99 -0.04 0.00 0.00 0.00 0.00 36.38 31.15 2ayx s VAL 732 CO 0.24 -1.86 1.81 -0.69 0.00 0.00 0.00 175.10 174.59 2ayx s VAL 733 N 5.36 3.43 -0.04 2.92 1.01 -1.26 -1.19 120.40 130.63 2ayx s VAL 733 Ca 0.49 0.48 0.03 0.00 0.00 0.00 0.00 61.98 62.97 2ayx s VAL 733 Cb -0.00 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.93 2ayx s VAL 733 CO -0.08 -0.20 -0.11 -0.89 0.00 0.00 0.00 175.10 173.82 2ayx s THR 734 N 5.82 1.00 0.06 3.92 2.01 0.01 -4.95 115.64 123.51 2ayx s THR 734 Ca 0.81 -0.45 -0.31 0.00 0.31 0.00 0.00 61.69 62.06 2ayx s THR 734 Cb -0.29 -0.89 -0.08 0.00 0.01 0.00 0.00 72.50 71.24 2ayx s THR 734 CO 0.33 0.31 1.71 -0.89 -0.69 0.00 0.00 174.62 175.39 2ayx s THR 735 N 0.37 3.00 -0.79 -0.82 2.01 -1.26 -2.05 115.64 116.09 2ayx s THR 735 Ca -0.08 0.39 -0.23 0.00 0.31 0.00 0.00 61.69 62.08 2ayx s THR 735 Cb -0.12 -3.25 0.07 0.00 0.01 0.00 0.00 72.50 69.21 2ayx s THR 735 CO 0.02 -0.01 1.15 -0.47 -0.69 0.00 0.00 174.62 174.62 2ayx s TYR 736 N 2.96 2.64 -0.56 4.92 5.04 -0.09 -4.72 117.35 127.54 2ayx s TYR 736 Ca 0.76 -0.65 0.13 0.00 -2.44 0.00 0.00 57.07 54.87 2ayx s TYR 736 Cb -0.41 -4.44 -0.14 0.00 0.35 0.00 0.00 41.96 37.32 2ayx s TYR 736 CO 0.34 -1.77 0.52 0.39 -1.34 0.00 0.00 175.55 173.69 2ayx n GLU 737 N 8.07 2.59 0.00 4.97 1.02 -1.26 -4.69 120.64 131.34 2ayx n GLU 737 Ca 0.10 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2ayx n GLU 737 Cb 0.48 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.78 2ayx n GLU 737 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ayx n GLY 738 N 1.34 -0.66 3.91 0.62 0.00 -1.26 -5.18 105.19 103.95 2ayx n GLY 738 Ca 0.02 0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 2ayx n GLY 738 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ayx s GLN 739 N 0.00 2.41 0.30 1.61 1.11 -1.26 -5.10 119.66 118.74 2ayx s GLN 739 Ca 0.00 -1.71 -0.28 0.00 0.01 0.00 0.00 55.36 53.38 2ayx s GLN 739 Cb 0.00 -2.33 -0.09 0.00 -1.01 0.00 0.00 33.01 29.58 2ayx s GLN 739 CO 0.00 -0.43 1.06 -1.21 0.01 0.00 0.00 175.29 174.73 2ayx s GLU 740 N -4.26 4.55 -0.17 2.91 0.41 -1.26 -5.02 118.70 115.86 2ayx s GLU 740 Ca 0.46 1.69 -0.25 0.00 -0.41 0.00 0.00 54.97 56.45 2ayx s GLU 740 Cb -0.03 -3.04 -0.01 0.00 -1.78 0.00 0.00 34.13 29.26 2ayx s GLU 740 CO 0.27 0.17 0.82 -1.25 -0.49 0.00 0.00 175.26 174.78 2ayx s PRO 741 N -1.67 4.29 -0.07 0.39 0.05 -1.26 -5.06 135.00 131.65 2ayx s PRO 741 Ca 0.47 0.99 0.01 0.00 0.05 0.00 0.00 61.00 62.52 2ayx s PRO 741 Cb -0.29 -3.58 -0.03 0.00 0.05 0.00 0.00 34.50 30.66 2ayx s PRO 741 CO 0.36 -0.33 -0.10 0.99 0.05 0.00 0.00 177.00 177.98 2ayx s THR 742 N 2.16 3.44 -1.34 1.26 2.01 -1.26 -4.74 115.64 117.16 2ayx s THR 742 Ca 0.38 -0.57 0.11 0.00 0.31 0.00 0.00 61.69 61.91 2ayx s THR 742 Cb -0.16 -2.40 0.17 0.00 0.01 0.00 0.00 72.50 70.11 2ayx s THR 742 CO 0.12 0.58 1.26 -0.81 -0.69 0.00 0.00 174.62 175.08 2ayx n PRO 743 N 2.48 0.12 -0.02 4.92 -0.04 -1.26 -1.21 135.00 139.98 2ayx n PRO 743 Ca -0.18 0.21 0.07 0.00 -0.04 0.00 0.00 63.50 63.56 2ayx n PRO 743 Cb 0.53 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.33 1.04 -4.38 0.54 1.02 -1.26 -3.17 120.64 113.10 2ayx n GLU 744 Ca 0.05 -1.37 -0.25 0.00 -0.02 0.00 0.00 57.16 55.56 2ayx n GLU 744 Cb 0.09 -1.26 -0.10 0.00 -0.02 0.00 0.00 31.44 30.16 2ayx n GLU 744 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2ayx s ASP 745 N -1.08 3.94 0.10 1.62 1.01 -0.35 -4.83 116.67 117.08 2ayx s ASP 745 Ca 0.17 -0.80 0.09 0.00 0.71 0.00 0.00 52.55 52.71 2ayx s ASP 745 Cb 0.11 -0.52 -0.03 0.00 1.01 0.00 0.00 42.92 43.49 2ayx s ASP 745 CO 0.17 0.06 -0.23 0.68 0.21 0.00 0.00 175.17 176.06 2ayx s VAL 746 N -2.11 1.86 -0.34 -1.27 -7.23 -1.26 -1.08 120.40 108.97 2ayx s VAL 746 Ca 0.27 -1.54 -0.09 0.00 -1.81 0.00 0.00 61.98 58.81 2ayx s VAL 746 Cb -0.07 -1.66 0.02 0.00 0.56 0.00 0.00 36.38 35.23 2ayx s VAL 746 CO 0.15 0.03 0.15 -0.22 -0.31 0.00 0.00 175.10 174.90 2ayx s LEU 747 N -1.82 4.33 -0.36 1.32 0.20 -0.87 -2.02 118.68 119.46 2ayx s LEU 747 Ca 0.09 -0.83 -0.14 0.00 0.69 0.00 0.00 54.13 53.94 2ayx s LEU 747 Cb -0.10 -1.97 -0.01 0.00 -0.43 0.00 0.00 46.19 43.68 2ayx s LEU 747 CO 0.04 -0.29 0.30 -0.63 -0.29 0.00 0.00 176.35 175.49 2ayx s ILE 748 N 1.54 5.23 0.10 6.68 1.01 -0.00 -0.46 121.20 135.29 2ayx s ILE 748 Ca 0.02 -0.21 0.08 0.00 0.00 0.00 0.00 60.65 60.54 2ayx s ILE 748 Cb -0.18 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 2ayx s ILE 748 CO 0.05 -0.11 -0.15 0.42 0.00 0.00 0.00 174.94 175.15 2ayx s THR 749 N 1.84 3.03 -0.25 2.92 -4.23 -0.19 -0.60 115.64 118.15 2ayx s THR 749 Ca 0.08 -1.35 -0.12 0.00 -1.18 0.00 0.00 61.69 59.12 2ayx s THR 749 Cb -0.17 -2.38 -0.05 0.00 1.34 0.00 0.00 72.50 71.24 2ayx s THR 749 CO 0.11 0.15 0.22 1.51 -0.54 0.00 0.00 174.62 176.07 2ayx s ASP 750 N -2.02 6.15 0.89 3.99 1.47 -0.54 -0.79 116.67 125.82 2ayx s ASP 750 Ca 0.18 0.15 0.00 0.00 1.18 0.00 0.00 52.55 54.07 2ayx s ASP 750 Cb -0.11 -2.14 0.00 0.00 -0.34 0.00 0.00 42.92 40.34 2ayx s ASP 750 CO 0.10 -0.01 0.00 -0.62 0.68 0.00 0.00 175.17 175.33 2ayx n GLU 751 N 4.61 0.00 -3.18 2.11 -0.58 0.21 -4.75 120.64 119.06 2ayx n GLU 751 Ca -0.13 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.23 2ayx n GLU 751 Cb 0.52 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.33 2ayx n GLU 751 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2ayx s VAL 752 N 0.00 4.63 0.23 2.62 1.01 -1.26 -4.65 120.40 122.98 2ayx s VAL 752 Ca 0.00 1.32 0.08 0.00 0.00 0.00 0.00 61.98 63.38 2ayx s VAL 752 Cb 0.00 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 2ayx s VAL 752 CO 0.00 0.47 -0.14 0.68 0.00 0.00 0.00 175.10 176.11 2ayx s VAL 753 N -1.21 1.86 -1.05 2.92 -7.23 -1.26 -5.04 120.40 109.39 2ayx s VAL 753 Ca 0.33 -2.24 -0.07 0.00 -1.81 0.00 0.00 61.98 58.20 2ayx s VAL 753 Cb -0.20 -2.14 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 2ayx s VAL 753 CO 0.21 -0.53 2.89 -1.20 -0.31 0.00 0.00 175.10 176.17 2ayx n SER 754 N -0.45 7.54 -3.20 4.85 7.64 -1.26 -4.82 113.62 123.92 2ayx n SER 754 Ca -0.07 -2.82 -0.08 0.00 1.01 0.00 0.00 58.87 56.91 2ayx n SER 754 Cb 0.61 -1.42 0.01 0.00 -1.01 0.00 0.00 64.21 62.39 2ayx n SER 754 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2ayx s LYS 755 N 0.36 2.10 0.00 1.43 1.02 -1.26 -5.09 119.74 118.31 2ayx s LYS 755 Ca 0.63 -1.32 0.00 0.00 0.02 0.00 0.00 55.97 55.30 2ayx s LYS 755 Cb 0.24 0.62 0.00 0.00 -0.52 0.00 0.00 37.83 38.17 2ayx s LYS 755 CO -0.08 -0.98 0.00 1.63 -0.92 0.00 0.00 175.35 175.00 2ayx n LYS 756 N -0.51 0.21 -0.72 1.68 4.76 -1.26 -4.97 118.16 117.34 2ayx n LYS 756 Ca -0.07 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.45 2ayx n LYS 756 Cb 0.60 -0.84 -0.04 0.00 -1.84 0.00 0.00 35.03 32.91 2ayx n LYS 756 CO 0.00 0.00 0.00 1.87 -1.37 0.00 0.00 177.40 177.90 2ayx n TRP 757 N -2.12 -1.94 0.00 2.13 -0.00 -1.26 -4.94 117.44 109.32 2ayx n TRP 757 Ca 0.00 1.07 0.00 0.00 -0.00 0.00 0.00 57.50 58.57 2ayx n TRP 757 Cb 0.34 -1.77 0.00 0.00 -0.00 0.00 0.00 31.31 29.87 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 -3.03 0.00 0.00 5.87 7.27 -1.26 -4.99 117.38 121.24 2ayx n GLN 758 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.03 2ayx n GLN 758 Cb 0.33 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.98 2ayx n GLN 758 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2ayx n GLY 759 N 1.65 2.48 0.09 1.69 0.00 -1.26 -3.21 105.19 106.63 2ayx n GLY 759 Ca 0.00 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 -2.27 1.61 2.43 -0.98 -3.39 114.38 111.78 2ayx h ARG 760 Ca 0.00 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.26 2ayx h ARG 760 Cb 0.00 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 29.39 2ayx h ARG 760 CO 0.00 0.94 0.47 0.00 -1.51 0.00 0.00 179.97 179.87 2ayx s ALA 761 N -2.32 -1.81 -0.11 2.80 0.00 -1.20 -4.66 121.76 114.46 2ayx s ALA 761 Ca -0.23 1.03 0.03 0.00 0.00 0.00 0.00 51.96 52.79 2ayx s ALA 761 Cb 0.02 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.49 2ayx s ALA 761 CO 0.61 -0.65 -0.23 0.54 0.00 0.00 0.00 175.76 176.03 2ayx s VAL 762 N -2.94 2.02 -0.37 0.00 0.11 0.04 -2.05 120.40 117.20 2ayx s VAL 762 Ca 0.04 -0.98 -0.04 0.00 -2.93 0.00 0.00 61.98 58.07 2ayx s VAL 762 Cb -0.01 -1.76 0.08 0.00 -1.53 0.00 0.00 36.38 33.16 2ayx s VAL 762 CO -0.08 0.55 0.15 -0.69 -3.33 0.00 0.00 175.10 171.69 2ayx s VAL 763 N 0.54 3.42 -0.23 2.04 1.01 0.39 -0.70 120.40 126.87 2ayx s VAL 763 Ca -0.14 -1.65 -0.12 0.00 0.00 0.00 0.00 61.98 60.06 2ayx s VAL 763 Cb -0.17 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 2ayx s VAL 763 CO 0.05 -0.44 0.23 -0.89 0.00 0.00 0.00 175.10 174.04 2ayx s THR 764 N 1.25 5.32 -0.40 3.92 2.01 -0.04 -1.02 115.64 126.67 2ayx s THR 764 Ca 0.03 0.33 -0.27 0.00 0.31 0.00 0.00 61.69 62.09 2ayx s THR 764 Cb -0.22 -3.56 0.02 0.00 0.01 0.00 0.00 72.50 68.75 2ayx s THR 764 CO -0.01 0.32 0.98 -0.36 -0.69 0.00 0.00 174.62 174.86 2ayx s PHE 765 N 1.11 3.01 -0.11 4.92 0.40 0.03 -1.21 117.98 126.12 2ayx s PHE 765 Ca 0.11 0.73 -0.14 0.00 -0.60 0.00 0.00 56.93 57.03 2ayx s PHE 765 Cb -0.14 -3.85 -0.05 0.00 0.51 0.00 0.00 43.02 39.49 2ayx s PHE 765 CO 0.05 -0.95 0.34 0.00 0.70 0.00 0.00 175.22 175.36 2ayx n ARG 767 N 3.08 0.04 0.00 0.00 5.12 -1.26 -4.05 116.66 119.60 2ayx n ARG 767 Ca -0.12 0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 2ayx n ARG 767 Cb 0.52 -0.65 0.00 0.00 -1.16 0.00 0.00 32.46 31.17 2ayx n ARG 767 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2ayx n ARG 768 N -3.00 4.85 -4.01 5.56 1.74 -1.26 -5.09 116.66 115.44 2ayx n ARG 768 Ca -0.04 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.92 2ayx n ARG 768 Cb 0.53 -0.52 -0.13 0.00 -1.02 0.00 0.00 32.46 31.32 2ayx n ARG 768 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2ayx s HIS 769 N -0.25 0.32 -0.52 -1.55 2.46 -1.26 -5.11 115.29 109.38 2ayx s HIS 769 Ca 0.00 -0.25 0.04 0.00 0.47 0.00 0.00 55.06 55.32 2ayx s HIS 769 Cb 0.00 -0.21 0.14 0.00 -0.13 0.00 0.00 32.58 32.38 2ayx s HIS 769 CO 0.00 -0.06 0.30 0.42 -2.47 0.00 0.00 174.74 172.93 2ayx s ILE 770 N -0.64 2.14 -0.00 0.89 1.01 -1.26 -4.53 121.20 118.80 2ayx s ILE 770 Ca -0.05 -3.22 0.02 0.00 0.00 0.00 0.00 60.65 57.40 2ayx s ILE 770 Cb -0.05 -2.47 -0.25 0.00 0.01 0.00 0.00 42.46 39.70 2ayx s ILE 770 CO -0.00 -0.89 0.82 1.23 0.00 0.00 0.00 174.94 176.10 2ayx h GLY 771 N 6.32 0.17 -7.59 6.18 0.00 -1.97 -3.43 103.07 102.76 2ayx h GLY 771 Ca 0.00 -0.45 -0.66 0.00 0.00 0.00 0.00 47.33 46.22 2ayx h GLY 771 CO 0.61 0.39 -0.39 -0.42 0.00 0.00 0.00 176.54 176.74 2ayx s ILE 772 N -2.62 5.23 0.85 2.60 -1.09 -1.26 -5.05 121.20 119.85 2ayx s ILE 772 Ca -0.08 -0.01 -0.14 0.00 -2.23 0.00 0.00 60.65 58.19 2ayx s ILE 772 Cb 0.08 -3.74 0.20 0.00 -1.58 0.00 0.00 42.46 37.42 2ayx s ILE 772 CO 0.83 -0.00 1.04 -2.65 -1.23 0.00 0.00 174.94 172.93 2ayx n PRO 773 N 5.23 -1.47 -0.05 2.79 -0.02 -1.26 -4.88 135.00 135.34 2ayx n PRO 773 Ca -0.11 -1.61 0.00 0.00 -2.02 0.00 0.00 63.50 59.76 2ayx n PRO 773 Cb 0.50 -1.17 0.00 0.00 -0.02 0.00 0.00 33.50 32.81 2ayx n PRO 773 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2ayx n LEU 774 N 0.00 0.00 -3.22 2.45 -0.00 -1.26 -3.85 117.00 111.11 2ayx n LEU 774 Ca 0.13 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.94 2ayx n LEU 774 Cb 0.47 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.86 2ayx n LEU 774 CO 0.34 -0.06 1.70 -0.62 -0.00 0.00 0.00 177.39 178.75 2ayx n GLU 775 N -0.12 0.93 -0.02 1.47 4.71 0.41 -3.78 120.64 124.23 2ayx n GLU 775 Ca 0.00 -1.10 0.07 0.00 -0.01 0.00 0.00 57.16 56.12 2ayx n GLU 775 Cb 0.00 -2.36 0.07 0.00 -1.01 0.00 0.00 31.44 28.14 2ayx n GLU 775 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 2ayx n LYS 776 N 5.47 1.09 -4.30 3.49 2.85 -1.26 -4.98 118.16 120.52 2ayx n LYS 776 Ca 0.29 -1.40 -0.16 0.00 -1.05 0.00 0.00 58.31 55.99 2ayx n LYS 776 Cb 0.16 -1.27 -0.10 0.00 -0.65 0.00 0.00 35.03 33.17 2ayx n LYS 776 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2ayx s ALA 777 N -1.14 1.64 0.37 0.58 0.00 -1.25 -5.04 121.76 116.92 2ayx s ALA 777 Ca 0.17 -1.68 0.29 0.00 0.00 0.00 0.00 51.96 50.73 2ayx s ALA 777 Cb 0.12 0.45 1.55 0.00 0.00 0.00 0.00 23.12 25.24 2ayx s ALA 777 CO 0.18 -0.25 1.85 -1.00 0.00 0.00 0.00 175.76 176.54 2ayx h PRO 778 N 2.57 0.00 -0.01 0.00 0.13 -1.95 -3.17 132.00 129.57 2ayx h PRO 778 Ca -0.38 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.60 2ayx h PRO 778 Cb 1.21 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.19 2ayx h PRO 778 CO 0.64 0.00 -0.34 0.41 -0.23 0.00 0.00 178.00 178.48 2ayx n GLY 779 N -1.21 1.22 3.63 1.56 0.00 -1.26 -4.98 105.19 104.15 2ayx n GLY 779 Ca -0.02 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 2ayx n GLY 779 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ayx s GLU 780 N -0.07 4.05 0.04 1.61 2.12 -1.20 -0.78 118.70 124.47 2ayx s GLU 780 Ca 0.06 -0.13 0.04 0.00 0.36 0.00 0.00 54.97 55.31 2ayx s GLU 780 Cb 0.22 -3.60 -0.02 0.00 0.26 0.00 0.00 34.13 30.99 2ayx s GLU 780 CO -0.06 -0.10 -0.13 -1.58 -0.54 0.00 0.00 175.26 172.86 2ayx s TRP 781 N 1.51 1.09 0.04 5.30 0.52 0.12 -0.45 118.94 127.08 2ayx s TRP 781 Ca 0.11 -0.37 0.00 0.00 0.02 0.00 0.00 56.10 55.86 2ayx s TRP 781 Cb -0.15 -0.64 -0.03 0.00 -1.15 0.00 0.00 33.47 31.50 2ayx s TRP 781 CO 0.08 0.02 -0.04 0.14 0.02 0.00 0.00 176.95 177.17 2ayx s VAL 782 N -0.95 0.24 -0.23 4.03 -7.23 -1.26 -0.86 120.40 114.14 2ayx s VAL 782 Ca -0.01 -1.29 -0.11 0.00 -1.81 0.00 0.00 61.98 58.76 2ayx s VAL 782 Cb -0.08 -0.81 0.08 0.00 0.56 0.00 0.00 36.38 36.13 2ayx s VAL 782 CO 0.01 -0.67 0.54 -2.28 -0.31 0.00 0.00 175.10 172.39 2ayx s HIS 783 N -2.38 -0.88 -0.59 2.82 2.46 -0.35 -4.91 115.29 111.45 2ayx s HIS 783 Ca -0.06 1.75 -0.19 0.00 0.47 0.00 0.00 55.06 57.03 2ayx s HIS 783 Cb -0.03 0.47 0.11 0.00 -0.13 0.00 0.00 32.58 32.99 2ayx s HIS 783 CO -0.04 -0.47 0.70 -1.12 -2.47 0.00 0.00 174.74 171.34 2ayx s SER 784 N 1.82 6.19 0.08 9.88 0.01 -1.26 -1.83 113.70 128.60 2ayx s SER 784 Ca -0.08 -1.46 -0.07 0.00 1.31 0.00 0.00 55.95 55.64 2ayx s SER 784 Cb -0.08 -2.30 0.03 0.00 0.21 0.00 0.00 66.02 63.88 2ayx s SER 784 CO -0.16 -1.10 0.36 1.33 0.41 0.00 0.00 173.24 174.07 2ayx n VAL 785 N 5.53 0.00 -2.46 3.43 0.24 -1.26 -4.98 118.33 118.83 2ayx n VAL 785 Ca -0.10 -0.23 -0.22 0.00 -2.04 0.00 0.00 64.34 61.75 2ayx n VAL 785 Cb 0.42 0.29 0.01 0.00 -1.47 0.00 0.00 33.84 33.10 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 -2.18 4.67 -3.37 2.33 0.00 -1.26 -4.86 120.51 115.84 2ayx n ALA 786 Ca -0.05 -3.97 -0.14 0.00 0.00 0.00 0.00 53.44 49.27 2ayx n ALA 786 Cb 0.21 -0.59 0.02 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.44 -2.57 0.23 0.00 0.00 -1.26 -4.65 120.51 111.82 2ayx n ALA 787 Ca 0.33 -0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.59 2ayx n ALA 787 Cb 0.74 -2.63 -0.05 0.00 0.00 0.00 0.00 19.45 17.51 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 -0.45 -0.61 0.00 0.00 0.11 -1.98 -3.48 132.00 125.58 2ayx h PRO 788 Ca -0.37 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2ayx h PRO 788 Cb 1.21 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.45 2ayx h PRO 788 CO 0.38 -0.41 0.00 -2.39 -0.21 0.00 0.00 178.00 175.37 2ayx n HIS 789 N -4.71 0.00 -0.06 0.65 1.44 -1.26 -5.03 115.22 106.25 2ayx n HIS 789 Ca -0.08 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.42 2ayx n HIS 789 Cb 0.25 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.23 2ayx n HIS 789 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 2ayx n GLU 790 N 0.00 0.69 -0.00 -1.40 -0.00 -1.26 -3.80 120.64 114.87 2ayx n GLU 790 Ca 0.00 0.27 -0.12 0.00 -0.00 0.00 0.00 57.16 57.31 2ayx n GLU 790 Cb 0.00 -1.64 -0.07 0.00 -0.00 0.00 0.00 31.44 29.73 2ayx n GLU 790 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2ayx h LEU 791 N -0.16 0.09 -1.91 -1.84 7.12 -1.96 0.12 115.31 116.77 2ayx h LEU 791 Ca -0.48 -0.14 0.11 0.00 0.13 0.00 0.00 57.88 57.49 2ayx h LEU 791 Cb 1.88 -0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 41.96 2ayx h LEU 791 CO -0.04 0.21 0.31 1.55 -0.13 0.00 0.00 178.44 180.35 2ayx h PRO 792 N -0.03 0.10 -0.10 5.25 0.13 -1.95 0.98 132.00 136.38 2ayx h PRO 792 Ca 0.02 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 65.03 2ayx h PRO 792 Cb 0.15 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.26 2ayx h PRO 792 CO -0.00 0.07 -0.38 0.00 -0.23 0.00 0.00 178.00 177.45 2ayx h ALA 793 N 1.78 0.18 -0.74 -0.56 0.00 -1.51 -1.67 119.26 116.74 2ayx h ALA 793 Ca 0.21 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2ayx h ALA 793 Cb 0.70 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2ayx h ALA 793 CO -0.02 0.28 0.38 1.25 0.00 0.00 0.00 179.25 181.14 2ayx h LEU 794 N 0.00 0.93 -0.43 0.00 7.12 -0.21 -0.39 115.31 122.33 2ayx h LEU 794 Ca -0.02 -0.09 -0.08 0.00 0.13 0.00 0.00 57.88 57.83 2ayx h LEU 794 Cb 1.02 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 40.90 2ayx h LEU 794 CO 0.08 0.76 -0.04 -0.07 -0.13 0.00 0.00 178.44 179.05 2ayx h LEU 795 N 1.04 0.78 -0.91 2.25 -0.00 -0.80 0.10 115.31 117.77 2ayx h LEU 795 Ca 0.26 -0.33 -0.05 0.00 -0.00 0.00 0.00 57.88 57.76 2ayx h LEU 795 Cb 0.06 -0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 40.48 2ayx h LEU 795 CO -0.04 0.92 0.18 0.00 -0.00 0.00 0.00 178.44 179.50 2ayx h ALA 796 N 0.88 1.11 -0.37 1.53 0.00 -0.98 -1.86 119.26 119.59 2ayx h ALA 796 Ca 0.12 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2ayx h ALA 796 Cb 0.55 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2ayx h ALA 796 CO 0.03 0.60 0.06 -0.09 0.00 0.00 0.00 179.25 179.85 2ayx h ARG 797 N 0.95 0.61 0.00 0.00 2.43 -0.75 -2.96 114.38 114.65 2ayx h ARG 797 Ca 0.21 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2ayx h ARG 797 Cb 0.30 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2ayx h ARG 797 CO -0.00 0.67 -0.10 0.97 -1.51 0.00 0.00 179.97 180.00 2ayx h ILE 798 N 0.45 0.29 -0.01 1.20 6.09 -0.54 0.12 117.51 125.10 2ayx h ILE 798 Ca 0.11 -0.69 0.00 0.00 -1.37 0.00 0.00 64.86 62.91 2ayx h ILE 798 Cb 0.36 1.54 0.00 0.00 0.47 0.00 0.00 36.82 39.18 2ayx h ILE 798 CO 0.01 0.10 0.00 -1.22 -3.07 0.00 0.00 178.15 173.96 2ayx n TYR 799 N -3.29 0.01 -2.41 2.19 4.01 -0.72 -4.96 117.16 112.00 2ayx n TYR 799 Ca -0.00 -0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.72 2ayx n TYR 799 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 2ayx n TYR 799 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2ayx n LEU 800 N -0.36 -4.99 -0.03 7.72 4.77 0.03 -4.91 117.00 119.24 2ayx n LEU 800 Ca 0.21 0.02 -0.03 0.00 -0.03 0.00 0.00 56.01 56.18 2ayx n LEU 800 Cb 0.24 -2.39 -0.01 0.00 -2.33 0.00 0.00 43.42 38.93 2ayx n LEU 800 CO 0.17 -0.81 -0.22 -0.38 -1.33 0.00 0.00 177.39 174.83 2ayx n ILE 801 N -1.26 0.54 -3.79 -0.08 5.41 -1.22 -4.98 119.36 113.97 2ayx n ILE 801 Ca 0.01 0.38 -0.24 0.00 1.00 0.00 0.00 62.75 63.90 2ayx n ILE 801 Cb 0.46 -1.81 0.01 0.00 -0.71 0.00 0.00 39.64 37.59 2ayx n ILE 801 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2ayx n GLU 802 N -3.19 -3.64 -3.68 0.38 -0.58 -1.26 -4.98 120.64 103.69 2ayx n GLU 802 Ca -0.04 0.51 -0.11 0.00 -0.42 0.00 0.00 57.16 57.10 2ayx n GLU 802 Cb 0.17 -4.77 -0.11 0.00 -0.57 0.00 0.00 31.44 26.15 2ayx n GLU 802 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ayx s MET 803 N -6.17 0.29 -0.05 3.49 0.23 -1.26 -5.16 119.30 110.67 2ayx s MET 803 Ca 0.08 0.82 -0.21 0.00 -1.03 0.00 0.00 55.69 55.35 2ayx s MET 803 Cb -0.03 0.07 0.04 0.00 -1.53 0.00 0.00 34.83 33.38 2ayx s MET 803 CO 0.85 -0.22 0.47 -1.83 -2.03 0.00 0.00 175.02 172.26 2ayx s GLU 804 N 1.98 0.80 -1.32 3.16 1.03 -1.26 -5.07 118.70 118.02 2ayx s GLU 804 Ca -0.05 0.08 -0.15 0.00 0.03 0.00 0.00 54.97 54.88 2ayx s GLU 804 Cb -0.11 0.37 0.09 0.00 -0.80 0.00 0.00 34.13 33.68 2ayx s GLU 804 CO -0.11 -0.22 1.83 0.43 -1.33 0.00 0.00 175.26 175.85 2ayx n SER 805 N 1.32 4.73 -4.17 0.83 7.64 -1.26 -4.92 113.62 117.79 2ayx n SER 805 Ca -0.20 -2.93 -0.35 0.00 1.01 0.00 0.00 58.87 56.40 2ayx n SER 805 Cb 0.56 -1.67 -0.13 0.00 -1.01 0.00 0.00 64.21 61.97 2ayx n SER 805 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2ayx s ASP 806 N 3.35 4.97 -0.39 6.43 2.15 -1.26 -5.02 116.67 126.90 2ayx s ASP 806 Ca 0.49 -1.39 0.03 0.00 0.43 0.00 0.00 52.55 52.11 2ayx s ASP 806 Cb 0.06 -1.74 0.16 0.00 -0.30 0.00 0.00 42.92 41.10 2ayx s ASP 806 CO 0.01 -0.31 0.33 -0.62 -0.17 0.00 0.00 175.17 174.42 2ayx s ASP 807 N 1.34 1.67 0.25 -0.34 2.15 -1.26 -5.13 116.67 115.34 2ayx s ASP 807 Ca -0.03 -2.41 -0.30 0.00 0.43 0.00 0.00 52.55 50.24 2ayx s ASP 807 Cb -0.20 -0.07 -0.09 0.00 -0.30 0.00 0.00 42.92 42.26 2ayx s ASP 807 CO -0.01 -0.22 1.21 -2.84 -0.17 0.00 0.00 175.17 173.13 2ayx s PRO 808 N 0.70 4.50 0.03 4.34 0.02 -1.26 -5.03 135.00 138.30 2ayx s PRO 808 Ca 0.25 1.95 -0.08 0.00 0.02 0.00 0.00 61.00 63.13 2ayx s PRO 808 Cb -0.09 -3.18 -0.05 0.00 0.02 0.00 0.00 34.50 31.20 2ayx s PRO 808 CO -0.09 -0.04 0.33 0.00 -0.33 0.00 0.00 177.00 176.88 2ayx s ALA 809 N -0.60 3.79 -0.07 -1.55 0.00 -1.26 -5.10 121.76 116.97 2ayx s ALA 809 Ca 0.50 -0.47 -0.10 0.00 0.00 0.00 0.00 51.96 51.89 2ayx s ALA 809 Cb -0.34 -2.17 0.02 0.00 0.00 0.00 0.00 23.12 20.63 2ayx s ALA 809 CO 0.42 0.60 0.26 1.21 0.00 0.00 0.00 175.76 178.25 2ayx s ASN 810 N -1.67 -0.22 -0.29 0.00 2.47 -1.26 -5.14 114.94 108.83 2ayx s ASN 810 Ca 0.29 0.35 -0.01 0.00 0.42 0.00 0.00 52.86 53.92 2ayx s ASN 810 Cb -0.14 0.46 0.09 0.00 -1.45 0.00 0.00 41.25 40.21 2ayx s ASN 810 CO 0.16 -0.20 0.08 0.00 -3.72 0.00 0.00 177.10 173.42 2ayx s ALA 811 N -0.35 1.44 -0.50 1.71 0.00 -1.26 -5.05 121.76 117.75 2ayx s ALA 811 Ca -0.05 -1.47 0.03 0.00 0.00 0.00 0.00 51.96 50.48 2ayx s ALA 811 Cb -0.03 -1.53 0.15 0.00 0.00 0.00 0.00 23.12 21.71 2ayx s ALA 811 CO 0.01 -1.56 0.31 -1.17 0.00 0.00 0.00 175.76 173.36 2ayx s LEU 812 N 1.66 3.06 0.56 0.00 2.96 -1.26 -5.12 118.68 120.54 2ayx s LEU 812 Ca 0.07 -3.00 -0.06 0.00 -0.22 0.00 0.00 54.13 50.92 2ayx s LEU 812 Cb -0.17 -1.11 -0.01 0.00 0.50 0.00 0.00 46.19 45.40 2ayx s LEU 812 CO -0.22 -0.21 0.88 -2.16 -1.32 0.00 0.00 176.35 173.33 2ayx s PRO 813 N -0.14 3.18 -0.02 0.98 0.04 -1.26 -5.11 135.00 132.67 2ayx s PRO 813 Ca 0.22 0.14 0.03 0.00 0.04 0.00 0.00 61.00 61.43 2ayx s PRO 813 Cb -0.15 -2.28 -0.00 0.00 0.04 0.00 0.00 34.50 32.11 2ayx s PRO 813 CO -0.07 -0.54 -0.10 -1.12 0.04 0.00 0.00 177.00 175.21 2ayx s SER 814 N -4.23 1.21 -0.10 6.66 0.01 -1.26 -5.14 113.70 110.86 2ayx s SER 814 Ca 0.52 -0.19 -0.03 0.00 1.31 0.00 0.00 55.95 57.56 2ayx s SER 814 Cb -0.11 -0.24 0.05 0.00 0.21 0.00 0.00 66.02 65.93 2ayx s SER 814 CO 0.46 0.09 0.10 -0.89 0.41 0.00 0.00 173.24 173.41 2ayx s THR 815 N -0.00 -0.15 -0.11 1.44 2.01 -1.26 -5.12 115.64 112.45 2ayx s THR 815 Ca 0.00 0.21 -0.01 0.00 0.31 0.00 0.00 61.69 62.20 2ayx s THR 815 Cb -0.06 -0.33 0.03 0.00 0.01 0.00 0.00 72.50 72.15 2ayx s THR 815 CO 0.00 0.02 -0.03 -0.62 -0.69 0.00 0.00 174.62 173.30 2ayx s ASP 816 N 2.19 2.10 -0.37 3.53 2.15 -1.26 -5.10 116.67 119.92 2ayx s ASP 816 Ca 0.04 -0.31 0.01 0.00 0.43 0.00 0.00 52.55 52.72 2ayx s ASP 816 Cb -0.13 -0.67 0.12 0.00 -0.30 0.00 0.00 42.92 41.93 2ayx s ASP 816 CO -0.06 -0.17 0.16 -0.75 -0.17 0.00 0.00 175.17 174.17 2ayx s LYS 817 N 1.82 1.05 -0.29 4.34 2.20 -1.26 -5.07 119.74 122.53 2ayx s LYS 817 Ca 0.04 -1.58 0.02 0.00 -0.36 0.00 0.00 55.97 54.08 2ayx s LYS 817 Cb -0.13 -2.27 0.08 0.00 -1.51 0.00 0.00 37.83 34.01 2ayx s LYS 817 CO -0.07 -1.06 0.02 0.00 -0.36 0.00 0.00 175.35 173.88 2ayx s ALA 818 N 0.97 2.19 0.00 3.13 0.00 -1.26 -5.10 121.76 121.70 2ayx s ALA 818 Ca 0.14 -1.86 0.01 0.00 0.00 0.00 0.00 51.96 50.24 2ayx s ALA 818 Cb -0.21 -1.67 -0.01 0.00 0.00 0.00 0.00 23.12 21.23 2ayx s ALA 818 CO -0.12 -1.49 -0.02 0.14 0.00 0.00 0.00 175.76 174.27 2ayx s VAL 819 N 1.27 0.15 -0.09 0.00 -7.23 -1.26 -5.14 120.40 108.10 2ayx s VAL 819 Ca 0.04 -0.24 -0.03 0.00 -1.81 0.00 0.00 61.98 59.94 2ayx s VAL 819 Cb -0.19 -0.16 0.04 0.00 0.56 0.00 0.00 36.38 36.63 2ayx s VAL 819 CO -0.12 -0.06 0.06 -0.94 -0.31 0.00 0.00 175.10 173.73 2ayx s SER 820 N -0.32 1.63 0.34 4.85 1.04 -1.26 -5.13 113.70 114.85 2ayx s SER 820 Ca -0.02 -0.18 -0.26 0.00 0.48 0.00 0.00 55.95 55.97 2ayx s SER 820 Cb -0.02 -0.25 -0.10 0.00 0.10 0.00 0.00 66.02 65.75 2ayx s SER 820 CO -0.00 -0.27 0.97 -0.62 0.98 0.00 0.00 173.24 174.30 2ayx s ASP 821 N 2.11 7.22 0.17 7.02 2.15 -1.26 -4.96 116.67 129.12 2ayx s ASP 821 Ca 0.04 1.89 0.00 0.00 0.43 0.00 0.00 52.55 54.91 2ayx s ASP 821 Cb -0.13 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 2ayx s ASP 821 CO -0.05 -0.15 0.00 -3.20 -0.17 0.00 0.00 175.17 171.59 2ayx n ASN 822 N 0.45 -0.44 -4.69 -0.34 5.15 -1.26 -5.10 115.26 109.04 2ayx n ASN 822 Ca 0.02 0.30 -0.42 0.00 -0.60 0.00 0.00 54.58 53.88 2ayx n ASN 822 Cb 0.50 0.55 -0.03 0.00 -0.53 0.00 0.00 39.78 40.27 2ayx n ASN 822 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2ayx s ASP 823 N -4.05 6.71 -0.38 1.20 2.15 -1.26 -4.95 116.67 116.09 2ayx s ASP 823 Ca 0.00 2.34 0.04 0.00 0.43 0.00 0.00 52.55 55.36 2ayx s ASP 823 Cb 0.00 -2.57 0.18 0.00 -0.30 0.00 0.00 42.92 40.24 2ayx s ASP 823 CO 0.00 -0.80 0.72 -0.62 -0.17 0.00 0.00 175.17 174.29 2ayx s ASP 824 N 2.05 -1.29 -0.19 -0.34 2.15 -1.26 -5.08 116.67 112.70 2ayx s ASP 824 Ca 0.69 -0.59 -0.01 0.00 0.43 0.00 0.00 52.55 53.08 2ayx s ASP 824 Cb -0.37 1.66 0.01 0.00 -0.30 0.00 0.00 42.92 43.92 2ayx s ASP 824 CO 0.30 -0.15 -0.14 -0.32 -0.17 0.00 0.00 175.17 174.69 2ayx s MET 825 N 1.95 3.15 -0.29 4.34 1.75 -1.26 -5.05 119.30 123.90 2ayx s MET 825 Ca 0.16 -0.75 -0.16 0.00 -1.25 0.00 0.00 55.69 53.69 2ayx s MET 825 Cb -0.03 -2.74 -0.03 0.00 2.84 0.00 0.00 34.83 34.87 2ayx s MET 825 CO -0.10 -0.19 0.41 1.41 -0.65 0.00 0.00 175.02 175.90 2ayx s MET 826 N 1.33 3.90 -0.07 4.11 1.75 -1.26 -2.11 119.30 126.95 2ayx s MET 826 Ca 0.05 -0.01 0.03 0.00 -1.25 0.00 0.00 55.69 54.51 2ayx s MET 826 Cb -0.14 -3.70 -0.02 0.00 2.84 0.00 0.00 34.83 33.82 2ayx s MET 826 CO -0.08 -0.38 -0.17 0.42 -0.65 0.00 0.00 175.02 174.16 2ayx s ILE 827 N 2.15 2.75 -0.12 10.11 -1.09 0.14 -0.86 121.20 134.28 2ayx s ILE 827 Ca 0.16 -0.81 0.02 0.00 -2.23 0.00 0.00 60.65 57.79 2ayx s ILE 827 Cb -0.16 -2.08 -0.01 0.00 -1.58 0.00 0.00 42.46 38.64 2ayx s ILE 827 CO 0.11 0.57 -0.19 -0.22 -1.23 0.00 0.00 174.94 173.98 2ayx s LEU 828 N -0.26 2.38 -0.33 2.97 2.96 0.20 -0.93 118.68 125.66 2ayx s LEU 828 Ca 0.01 -0.46 -0.06 0.00 -0.22 0.00 0.00 54.13 53.40 2ayx s LEU 828 Cb -0.13 -1.51 0.04 0.00 0.50 0.00 0.00 46.19 45.09 2ayx s LEU 828 CO 0.03 0.15 0.09 0.68 -1.32 0.00 0.00 176.35 175.97 2ayx s VAL 829 N 0.44 3.70 -0.39 1.68 -7.23 0.24 -1.59 120.40 117.25 2ayx s VAL 829 Ca -0.13 -1.13 -0.03 0.00 -1.81 0.00 0.00 61.98 58.88 2ayx s VAL 829 Cb -0.17 -3.08 0.10 0.00 0.56 0.00 0.00 36.38 33.79 2ayx s VAL 829 CO 0.06 -0.15 0.18 -0.69 -0.31 0.00 0.00 175.10 174.19 2ayx s VAL 830 N 1.39 3.29 0.20 1.32 1.01 -0.15 -1.42 120.40 126.04 2ayx s VAL 830 Ca -0.02 -1.93 0.06 0.00 0.00 0.00 0.00 61.98 60.09 2ayx s VAL 830 Cb -0.19 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 2ayx s VAL 830 CO 0.02 -0.60 0.19 -0.62 0.00 0.00 0.00 175.10 174.09 2ayx s ASP 831 N 1.75 5.66 0.17 3.32 -1.08 -0.94 -0.66 116.67 124.89 2ayx s ASP 831 Ca 0.06 -0.13 0.21 0.00 -0.52 0.00 0.00 52.55 52.17 2ayx s ASP 831 Cb -0.22 -1.50 -0.03 0.00 -1.46 0.00 0.00 42.92 39.70 2ayx s ASP 831 CO -0.03 0.02 0.99 -0.90 0.52 0.00 0.00 175.17 175.76 2ayx n ASP 832 N -0.75 0.85 -4.35 -0.34 5.68 -0.21 -3.48 116.55 113.95 2ayx n ASP 832 Ca -0.08 0.34 -0.34 0.00 -0.50 0.00 0.00 54.79 54.21 2ayx n ASP 832 Cb 0.56 0.37 -0.14 0.00 -1.14 0.00 0.00 41.12 40.78 2ayx n ASP 832 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 2ayx s HIS 833 N -3.26 2.95 0.23 2.11 3.76 -1.26 -4.92 115.29 114.90 2ayx s HIS 833 Ca -0.01 -0.79 -0.06 0.00 -0.15 0.00 0.00 55.06 54.05 2ayx s HIS 833 Cb 0.09 -2.04 0.40 0.00 1.11 0.00 0.00 32.58 32.14 2ayx s HIS 833 CO 0.80 -0.42 1.74 -1.35 -0.85 0.00 0.00 174.74 174.65 2ayx h PRO 834 N 7.68 0.43 -0.25 8.40 0.11 -1.97 0.18 132.00 146.58 2ayx h PRO 834 Ca -0.37 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 65.52 2ayx h PRO 834 Cb 1.17 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2ayx h PRO 834 CO 0.60 0.28 -0.60 0.82 -0.21 0.00 0.00 178.00 178.89 2ayx h ILE 835 N 0.44 1.27 -0.34 4.15 1.08 -2.00 -2.30 117.51 119.82 2ayx h ILE 835 Ca 0.38 -1.79 -0.12 0.00 -0.39 0.00 0.00 64.86 62.94 2ayx h ILE 835 Cb 0.54 1.73 -0.01 0.00 -3.07 0.00 0.00 36.82 36.01 2ayx h ILE 835 CO -0.37 0.58 -0.28 -1.13 -0.69 0.00 0.00 178.15 176.25 2ayx h ASN 836 N 0.63 0.73 -0.72 1.72 -1.24 -1.86 -2.39 115.58 112.45 2ayx h ASN 836 Ca -0.00 -0.28 0.10 0.00 0.71 0.00 0.00 56.30 56.83 2ayx h ASN 836 Cb 1.22 -0.20 -0.07 0.00 0.73 0.00 0.00 38.32 39.99 2ayx h ASN 836 CO 0.13 0.97 0.34 -0.09 -1.29 0.00 0.00 177.43 177.50 2ayx h ARG 837 N 0.61 0.56 -0.52 6.67 2.43 -0.51 -0.58 114.38 123.03 2ayx h ARG 837 Ca 0.08 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 2ayx h ARG 837 Cb 0.79 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 2ayx h ARG 837 CO 0.06 0.37 0.02 -0.09 -1.51 0.00 0.00 179.97 178.82 2ayx h ARG 838 N 0.57 0.86 -0.02 0.20 9.65 -1.08 -1.99 114.38 122.58 2ayx h ARG 838 Ca 0.36 -0.23 -0.00 0.00 -1.10 0.00 0.00 59.98 59.00 2ayx h ARG 838 Cb 0.41 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 28.89 2ayx h ARG 838 CO -0.29 0.85 0.01 1.25 2.80 0.00 0.00 179.97 184.59 2ayx h LEU 839 N 0.80 0.02 -0.63 3.80 5.85 -0.64 0.39 115.31 124.91 2ayx h LEU 839 Ca 0.16 -0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.68 2ayx h LEU 839 Cb 0.46 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2ayx h LEU 839 CO 0.02 0.07 -0.48 0.17 -0.34 0.00 0.00 178.44 177.88 2ayx h LEU 840 N -0.03 0.56 -0.88 2.25 -0.00 -1.36 -2.11 115.31 113.74 2ayx h LEU 840 Ca 0.01 -0.27 -0.04 0.00 -0.00 0.00 0.00 57.88 57.58 2ayx h LEU 840 Cb 0.05 -0.16 -0.04 0.00 -0.00 0.00 0.00 40.66 40.52 2ayx h LEU 840 CO -0.00 0.95 0.34 0.00 -0.00 0.00 0.00 178.44 179.73 2ayx h ALA 841 N 1.07 1.11 -0.27 0.17 0.00 -1.07 -0.12 119.26 120.15 2ayx h ALA 841 Ca 0.02 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 2ayx h ALA 841 Cb 0.99 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2ayx h ALA 841 CO 0.09 0.65 -0.32 0.22 0.00 0.00 0.00 179.25 179.89 2ayx h ASP 842 N 1.14 0.74 -0.24 0.00 3.58 -0.82 -1.24 116.42 119.59 2ayx h ASP 842 Ca 0.27 -0.49 0.04 0.00 0.42 0.00 0.00 57.03 57.27 2ayx h ASP 842 Cb 0.17 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 40.97 2ayx h ASP 842 CO -0.03 1.09 -0.02 1.56 -2.88 0.00 0.00 179.24 178.96 2ayx h GLN 843 N 0.42 0.05 -0.97 0.28 4.20 -1.08 -0.12 115.11 117.89 2ayx h GLN 843 Ca 0.04 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.76 2ayx h GLN 843 Cb 0.90 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.62 2ayx h GLN 843 CO 0.08 0.03 0.64 1.25 -0.67 0.00 0.00 178.83 180.16 2ayx h LEU 844 N 0.05 1.10 -1.55 1.46 5.85 -0.97 -0.15 115.31 121.11 2ayx h LEU 844 Ca 0.11 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 2ayx h LEU 844 Cb 0.16 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 2ayx h LEU 844 CO -0.21 0.79 -0.16 1.23 -0.34 0.00 0.00 178.44 179.75 2ayx h GLY 845 N 1.30 0.00 1.37 3.75 0.00 -0.52 -2.46 103.07 106.50 2ayx h GLY 845 Ca 0.36 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.54 2ayx h GLY 845 CO -0.09 0.00 -1.11 1.76 0.00 0.00 0.00 176.54 177.10 2ayx h SER 846 N 0.00 0.00 0.22 0.19 0.02 0.07 -3.31 113.55 110.73 2ayx h SER 846 Ca -0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 2ayx h SER 846 Cb 0.53 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 2ayx h SER 846 CO 0.02 0.59 -0.34 -0.07 -1.14 0.00 0.00 176.83 175.90 2ayx h LEU 847 N 0.00 0.18 -0.36 5.07 4.07 -0.59 -3.47 115.31 120.21 2ayx h LEU 847 Ca -0.11 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.79 2ayx h LEU 847 Cb 1.55 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 43.24 2ayx h LEU 847 CO 0.06 0.52 0.00 0.61 -1.08 0.00 0.00 178.44 178.55 2ayx n GLY 848 N -0.41 0.58 3.39 0.83 0.00 -1.12 -5.11 105.19 103.34 2ayx n GLY 848 Ca -0.01 -0.21 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.50 1.68 -0.53 1.61 2.02 -1.24 -5.06 117.35 114.34 2ayx s TYR 849 Ca 0.00 -1.30 -0.28 0.00 -0.37 0.00 0.00 57.07 55.12 2ayx s TYR 849 Cb 0.00 -0.97 0.03 0.00 -0.40 0.00 0.00 41.96 40.62 2ayx s TYR 849 CO 0.00 -0.41 1.15 -0.65 -1.57 0.00 0.00 175.55 174.07 2ayx s GLN 850 N -3.81 3.60 -0.18 -0.62 -0.21 -0.90 -4.79 119.66 112.76 2ayx s GLN 850 Ca 0.33 0.36 -0.12 0.00 0.02 0.00 0.00 55.36 55.95 2ayx s GLN 850 Cb 0.05 -3.97 -0.05 0.00 1.00 0.00 0.00 33.01 30.04 2ayx s GLN 850 CO 0.17 -1.54 0.23 0.00 -2.12 0.00 0.00 175.29 172.03 2ayx s LYS 852 N 0.46 2.22 0.00 0.00 3.01 -0.11 -4.97 119.74 120.36 2ayx s LYS 852 Ca 0.13 -0.54 0.03 0.00 -1.01 0.00 0.00 55.97 54.58 2ayx s LYS 852 Cb -0.12 -1.97 -0.03 0.00 -1.01 0.00 0.00 37.83 34.69 2ayx s LYS 852 CO 0.02 -0.15 -0.06 0.99 0.51 0.00 0.00 175.35 176.66 2ayx s THR 853 N 1.25 3.70 0.00 2.17 2.01 -1.26 -0.59 115.64 122.92 2ayx s THR 853 Ca -0.01 -0.76 -0.13 0.00 0.31 0.00 0.00 61.69 61.11 2ayx s THR 853 Cb -0.14 -2.61 0.02 0.00 0.01 0.00 0.00 72.50 69.78 2ayx s THR 853 CO -0.06 0.39 0.27 0.00 -0.69 0.00 0.00 174.62 174.53 2ayx s ALA 854 N -1.01 -0.65 -0.53 7.40 0.00 -0.51 -4.95 121.76 121.52 2ayx s ALA 854 Ca 0.17 0.13 0.06 0.00 0.00 0.00 0.00 51.96 52.33 2ayx s ALA 854 Cb -0.11 0.14 0.21 0.00 0.00 0.00 0.00 23.12 23.36 2ayx s ALA 854 CO 0.08 -0.29 0.53 -1.71 0.00 0.00 0.00 175.76 174.37 2ayx n ASN 855 N 1.13 1.53 0.00 0.00 5.15 -1.26 -2.21 115.26 119.60 2ayx n ASN 855 Ca -0.21 -2.92 0.00 0.00 -0.60 0.00 0.00 54.58 50.85 2ayx n ASN 855 Cb 0.57 -0.65 0.00 0.00 -0.53 0.00 0.00 39.78 39.17 2ayx n ASN 855 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2ayx n ASP 856 N 1.73 0.00 0.06 1.20 2.03 -1.23 -4.95 116.55 115.40 2ayx n ASP 856 Ca 0.25 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.44 2ayx n ASP 856 Cb 0.45 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.83 2ayx n ASP 856 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2ayx h GLY 857 N 0.00 0.42 1.60 0.27 0.00 -1.97 -2.58 103.07 100.81 2ayx h GLY 857 Ca 0.00 -0.70 -0.11 0.00 0.00 0.00 0.00 47.33 46.52 2ayx h GLY 857 CO 0.00 0.62 -0.36 -2.08 0.00 0.00 0.00 176.54 174.72 2ayx h VAL 858 N 0.23 1.29 -0.00 4.60 2.07 -1.99 -2.68 116.25 119.76 2ayx h VAL 858 Ca -0.06 -1.46 -0.12 0.00 0.82 0.00 0.00 66.70 65.88 2ayx h VAL 858 Cb 1.50 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.77 2ayx h VAL 858 CO 0.15 0.46 -0.55 -0.78 0.02 0.00 0.00 177.57 176.86 2ayx h ASP 859 N 0.39 0.01 -0.64 0.57 3.58 -1.92 -1.23 116.42 117.17 2ayx h ASP 859 Ca 0.04 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.42 2ayx h ASP 859 Cb 0.81 -0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.82 2ayx h ASP 859 CO 0.07 0.56 0.15 0.00 -2.88 0.00 0.00 179.24 177.14 2ayx h ALA 860 N 1.44 1.01 -0.50 -0.78 0.00 -1.14 0.09 119.26 119.37 2ayx h ALA 860 Ca -0.01 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 2ayx h ALA 860 Cb 0.98 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2ayx h ALA 860 CO 0.07 0.64 -0.17 -0.07 0.00 0.00 0.00 179.25 179.73 2ayx h LEU 861 N 1.00 1.02 0.27 0.00 3.38 -1.18 -1.91 115.31 117.89 2ayx h LEU 861 Ca 0.21 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2ayx h LEU 861 Cb 0.37 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2ayx h LEU 861 CO 0.00 1.16 -0.15 -1.13 0.09 0.00 0.00 178.44 178.42 2ayx h ASN 862 N 0.87 -0.36 0.13 -0.43 -0.73 -0.80 -2.06 115.58 112.19 2ayx h ASN 862 Ca 0.12 0.02 -0.06 0.00 1.87 0.00 0.00 56.30 58.25 2ayx h ASN 862 Cb 0.74 0.10 -0.01 0.00 0.27 0.00 0.00 38.32 39.43 2ayx h ASN 862 CO 0.06 -0.25 -0.20 1.62 -0.37 0.00 0.00 177.43 178.29 2ayx h VAL 863 N -0.39 1.19 -0.19 2.57 3.04 -1.01 -1.87 116.25 119.59 2ayx h VAL 863 Ca -0.03 -0.89 -0.07 0.00 -1.01 0.00 0.00 66.70 64.70 2ayx h VAL 863 Cb 0.32 1.35 -0.01 0.00 -2.01 0.00 0.00 31.29 30.93 2ayx h VAL 863 CO 0.04 0.27 -0.17 0.25 -1.01 0.00 0.00 177.57 176.95 2ayx h LEU 864 N 0.14 0.31 0.00 3.16 7.12 -0.97 0.90 115.31 125.97 2ayx h LEU 864 Ca 0.03 -0.08 0.00 0.00 0.13 0.00 0.00 57.88 57.96 2ayx h LEU 864 Cb 0.45 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.49 2ayx h LEU 864 CO 0.03 0.51 -0.72 0.77 -0.13 0.00 0.00 178.44 178.89 2ayx h SER 865 N 0.30 0.00 0.30 1.25 4.64 -0.80 -3.35 113.55 115.89 2ayx h SER 865 Ca 0.06 -0.14 -0.26 0.00 -0.47 0.00 0.00 61.79 60.98 2ayx h SER 865 Cb 0.48 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.53 2ayx h SER 865 CO 0.03 0.07 -1.93 0.29 -0.87 0.00 0.00 176.83 174.42 2ayx n LYS 866 N -2.35 0.65 -3.88 4.77 5.02 -0.76 -5.00 118.16 116.62 2ayx n LYS 866 Ca 0.02 0.11 -0.09 0.00 -2.02 0.00 0.00 58.31 56.33 2ayx n LYS 866 Cb 0.48 -1.66 -0.08 0.00 -0.02 0.00 0.00 35.03 33.75 2ayx n LYS 866 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2ayx s ASN 867 N -5.61 0.13 -0.00 4.39 3.84 0.28 -5.04 114.94 112.93 2ayx s ASN 867 Ca -0.07 -0.60 0.14 0.00 0.21 0.00 0.00 52.86 52.55 2ayx s ASN 867 Cb 0.08 0.30 -0.19 0.00 -0.55 0.00 0.00 41.25 40.89 2ayx s ASN 867 CO 0.83 -0.65 0.72 1.57 -2.79 0.00 0.00 177.10 176.78 2ayx n HIS 868 N 0.22 0.98 -2.76 0.43 -0.00 -1.26 -4.35 115.22 108.48 2ayx n HIS 868 Ca -0.16 0.34 0.00 0.00 -0.00 0.00 0.00 57.72 57.90 2ayx n HIS 868 Cb 0.61 -1.14 0.00 0.00 -0.00 0.00 0.00 29.99 29.46 2ayx n HIS 868 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 2ayx n ILE 869 N -2.98 0.00 0.06 3.57 5.41 -1.26 -4.78 119.36 119.38 2ayx n ILE 869 Ca -0.14 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.61 2ayx n ILE 869 Cb 0.97 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.90 2ayx n ILE 869 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2ayx n ASP 870 N 1.88 -0.98 -4.11 4.38 2.03 -0.04 -4.63 116.55 115.08 2ayx n ASP 870 Ca 0.00 0.22 -0.31 0.00 0.52 0.00 0.00 54.79 55.22 2ayx n ASP 870 Cb 0.00 1.25 -0.16 0.00 -0.72 0.00 0.00 41.12 41.49 2ayx n ASP 870 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ayx s ILE 871 N -2.00 1.80 -0.11 5.18 -1.09 -0.85 -4.49 121.20 119.64 2ayx s ILE 871 Ca 0.00 -0.81 0.03 0.00 -2.23 0.00 0.00 60.65 57.63 2ayx s ILE 871 Cb 0.00 -1.62 -0.00 0.00 -1.58 0.00 0.00 42.46 39.25 2ayx s ILE 871 CO 0.00 0.50 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.31 2ayx s VAL 872 N 1.01 2.35 -0.03 2.92 1.01 -1.11 -0.63 120.40 125.92 2ayx s VAL 872 Ca -0.04 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.05 2ayx s VAL 872 Cb -0.15 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.31 2ayx s VAL 872 CO -0.04 0.55 -0.09 -1.48 0.00 0.00 0.00 175.10 174.03 2ayx s LEU 873 N 0.41 1.77 -0.11 3.92 2.34 -0.62 -0.44 118.68 125.95 2ayx s LEU 873 Ca -0.15 -0.20 0.02 0.00 0.06 0.00 0.00 54.13 53.86 2ayx s LEU 873 Cb -0.17 -0.59 0.01 0.00 -0.56 0.00 0.00 46.19 44.88 2ayx s LEU 873 CO 0.07 0.06 -0.18 -0.44 -1.06 0.00 0.00 176.35 174.80 2ayx s SER 874 N 0.24 2.61 -0.22 1.48 0.01 -0.11 -0.98 113.70 116.72 2ayx s SER 874 Ca -0.04 -0.47 -0.04 0.00 1.31 0.00 0.00 55.95 56.70 2ayx s SER 874 Cb -0.09 -1.19 -0.01 0.00 0.21 0.00 0.00 66.02 64.94 2ayx s SER 874 CO 0.01 0.05 -0.03 -0.62 0.41 0.00 0.00 173.24 173.06 2ayx s ASP 875 N 0.81 4.40 -0.08 2.44 -1.08 0.16 -0.73 116.67 122.59 2ayx s ASP 875 Ca -0.10 -0.37 0.04 0.00 -0.52 0.00 0.00 52.55 51.61 2ayx s ASP 875 Cb -0.16 -1.76 -0.00 0.00 -1.46 0.00 0.00 42.92 39.54 2ayx s ASP 875 CO 0.01 -0.02 -0.23 -0.69 0.52 0.00 0.00 175.17 174.76 2ayx s VAL 876 N 1.48 1.91 -0.47 1.11 1.01 -0.44 -1.05 120.40 123.95 2ayx s VAL 876 Ca 0.06 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.14 2ayx s VAL 876 Cb -0.14 -1.65 0.40 0.00 0.00 0.00 0.00 36.38 34.99 2ayx s VAL 876 CO -0.02 0.53 1.04 -3.20 0.00 0.00 0.00 175.10 173.45 2ayx n ASN 877 N 3.36 4.31 -3.63 3.32 4.05 -1.26 -3.04 115.26 122.37 2ayx n ASN 877 Ca -0.19 -3.62 -0.26 0.00 0.45 0.00 0.00 54.58 50.96 2ayx n ASN 877 Cb 0.53 -0.50 -0.17 0.00 1.23 0.00 0.00 39.78 40.87 2ayx n ASN 877 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 177.26 173.89 2ayx s MET 878 N -3.46 0.15 0.05 1.20 1.75 -1.26 -5.03 119.30 112.68 2ayx s MET 878 Ca 0.47 -0.10 -0.23 0.00 -1.25 0.00 0.00 55.69 54.57 2ayx s MET 878 Cb 0.37 -1.78 -0.15 0.00 2.84 0.00 0.00 34.83 36.10 2ayx s MET 878 CO -0.16 -0.64 1.51 -1.35 -0.65 0.00 0.00 175.02 173.73 2ayx h PRO 879 N 8.39 0.10 -4.63 4.11 0.11 -1.87 -3.40 132.00 134.82 2ayx h PRO 879 Ca -0.15 -0.02 -0.70 0.00 0.11 0.00 0.00 66.00 65.23 2ayx h PRO 879 Cb 1.14 -0.01 -0.28 0.00 0.11 0.00 0.00 31.00 31.96 2ayx h PRO 879 CO 0.29 0.32 -0.57 1.21 -0.21 0.00 0.00 178.00 179.03 2ayx s ASN 880 N -5.54 5.44 0.19 -2.05 2.47 -1.26 -4.91 114.94 109.28 2ayx s ASN 880 Ca -0.14 -1.17 -0.06 0.00 0.42 0.00 0.00 52.86 51.90 2ayx s ASN 880 Cb 0.05 -1.91 0.02 0.00 -1.45 0.00 0.00 41.25 37.96 2ayx s ASN 880 CO 0.68 -0.37 0.36 1.15 -3.72 0.00 0.00 177.10 175.21 2ayx n MET 881 N 4.86 0.52 0.00 0.43 0.00 -1.26 -5.18 117.12 116.48 2ayx n MET 881 Ca -0.12 -1.18 0.00 0.00 0.00 0.00 0.00 57.70 56.41 2ayx n MET 881 Cb 0.45 1.38 0.00 0.00 0.00 0.00 0.00 33.22 35.05 2ayx n MET 881 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2ayx n ASP 882 N -1.40 1.73 0.00 3.17 2.03 -1.26 -4.93 116.55 115.90 2ayx n ASP 882 Ca -0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.28 2ayx n ASP 882 Cb 0.30 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 2ayx n ASP 882 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ayx n GLY 883 N 4.45 1.19 0.22 0.27 0.00 -1.26 -4.97 105.19 105.09 2ayx n GLY 883 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 -0.08 1.61 3.20 -2.01 -0.26 116.97 119.42 2ayx h TYR 884 Ca 0.00 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 2ayx h TYR 884 Cb 0.00 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 2ayx h TYR 884 CO 0.00 0.26 -0.14 0.07 -1.64 0.00 0.00 178.16 176.71 2ayx h ARG 885 N 0.00 0.13 -0.21 1.82 -0.00 -1.99 -2.48 114.38 111.65 2ayx h ARG 885 Ca -0.00 -0.03 -0.06 0.00 -0.00 0.00 0.00 59.98 59.89 2ayx h ARG 885 Cb 0.51 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.97 30.45 2ayx h ARG 885 CO 0.03 0.28 -0.10 1.25 -0.00 0.00 0.00 179.97 181.43 2ayx h LEU 886 N 0.13 0.46 -0.44 0.08 5.85 -1.41 0.87 115.31 120.84 2ayx h LEU 886 Ca 0.03 -0.41 -0.04 0.00 0.84 0.00 0.00 57.88 58.29 2ayx h LEU 886 Cb 0.33 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2ayx h LEU 886 CO 0.02 0.77 0.11 0.74 -0.34 0.00 0.00 178.44 179.73 2ayx h THR 887 N 0.15 1.23 0.12 1.05 2.02 -1.43 0.65 112.91 116.70 2ayx h THR 887 Ca 0.05 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 2ayx h THR 887 Cb 0.59 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 2ayx h THR 887 CO 0.03 0.29 -0.06 -0.61 0.37 0.00 0.00 175.52 175.54 2ayx h GLN 888 N 0.59 -0.16 0.00 6.66 -0.00 -1.40 -2.73 115.11 118.07 2ayx h GLN 888 Ca 0.14 0.01 -0.11 0.00 -0.00 0.00 0.00 58.65 58.69 2ayx h GLN 888 Cb 0.32 0.04 -0.02 0.00 0.00 0.00 0.00 27.48 27.82 2ayx h GLN 888 CO 0.00 0.07 -0.51 0.00 0.00 0.00 0.00 178.83 178.39 2ayx h ARG 889 N -0.36 0.00 -0.23 1.69 2.47 -0.78 -0.76 114.38 116.41 2ayx h ARG 889 Ca -0.02 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.52 2ayx h ARG 889 Cb 0.29 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.61 2ayx h ARG 889 CO 0.03 0.51 -0.59 0.97 0.56 0.00 0.00 179.97 181.45 2ayx h ILE 890 N 0.00 1.29 0.00 2.04 2.10 -0.86 0.15 117.51 122.23 2ayx h ILE 890 Ca -0.01 -1.80 -0.08 0.00 1.08 0.00 0.00 64.86 64.05 2ayx h ILE 890 Cb 1.02 1.74 -0.01 0.00 -1.09 0.00 0.00 36.82 38.47 2ayx h ILE 890 CO 0.07 0.58 -0.40 0.08 -1.08 0.00 0.00 178.15 177.40 2ayx h ARG 891 N 0.57 0.00 0.02 2.19 0.11 -1.35 -2.47 114.38 113.44 2ayx h ARG 891 Ca 0.00 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.88 2ayx h ARG 891 Cb 1.18 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.24 2ayx h ARG 891 CO 0.12 0.40 -0.93 0.37 0.10 0.00 0.00 179.97 180.03 2ayx h GLN 892 N 0.00 0.12 -0.01 0.08 4.15 -0.90 -3.32 115.11 115.23 2ayx h GLN 892 Ca -0.00 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.25 2ayx h GLN 892 Cb 1.11 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.85 2ayx h GLN 892 CO 0.05 0.96 -0.05 1.25 -1.93 0.00 0.00 178.83 179.11 2ayx h LEU 893 N 0.06 0.06 0.00 -2.39 5.85 -0.62 -3.48 115.31 114.79 2ayx h LEU 893 Ca -0.04 -0.68 0.00 0.00 0.84 0.00 0.00 57.88 58.00 2ayx h LEU 893 Cb 1.59 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.61 2ayx h LEU 893 CO 0.13 0.73 0.00 0.61 -0.34 0.00 0.00 178.44 179.57 2ayx n GLY 894 N 0.74 -0.02 3.58 3.75 0.00 -0.96 -5.10 105.19 107.18 2ayx n GLY 894 Ca -0.09 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 2ayx n GLY 894 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ayx s LEU 895 N 0.00 3.81 -0.30 0.99 2.96 -1.03 -4.89 118.68 120.22 2ayx s LEU 895 Ca 0.00 0.32 0.08 0.00 -0.22 0.00 0.00 54.13 54.31 2ayx s LEU 895 Cb 0.00 -3.38 0.47 0.00 0.50 0.00 0.00 46.19 43.77 2ayx s LEU 895 CO 0.00 -1.15 1.36 0.41 -1.32 0.00 0.00 176.35 175.65 2ayx n THR 896 N 6.63 2.55 -3.94 3.68 -1.04 -1.26 -4.98 114.28 115.92 2ayx n THR 896 Ca 0.09 -3.37 -0.10 0.00 -2.04 0.00 0.00 64.05 58.63 2ayx n THR 896 Cb 0.49 -0.63 -0.11 0.00 -1.82 0.00 0.00 70.33 68.25 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 -3.41 2.00 0.11 -4.42 2.34 -1.26 -5.13 118.68 108.90 2ayx s LEU 897 Ca 0.47 -0.35 -0.31 0.00 0.06 0.00 0.00 54.13 54.00 2ayx s LEU 897 Cb 0.41 0.28 -0.08 0.00 -0.56 0.00 0.00 46.19 46.24 2ayx s LEU 897 CO -0.01 -0.29 1.37 -2.16 -1.06 0.00 0.00 176.35 174.20 2ayx s PRO 898 N -1.28 4.33 -0.14 1.48 0.04 -1.26 -4.95 135.00 133.22 2ayx s PRO 898 Ca -0.14 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 62.92 2ayx s PRO 898 Cb -0.08 -3.26 -0.02 0.00 0.04 0.00 0.00 34.50 31.18 2ayx s PRO 898 CO -0.00 -0.41 -0.09 0.08 0.04 0.00 0.00 177.00 176.62 2ayx s VAL 899 N 1.07 3.39 -0.39 -0.36 1.01 -1.06 -2.75 120.40 121.31 2ayx s VAL 899 Ca 0.64 -0.54 -0.15 0.00 0.00 0.00 0.00 61.98 61.93 2ayx s VAL 899 Cb -0.36 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.57 2ayx s VAL 899 CO 0.30 0.51 0.31 -0.63 0.00 0.00 0.00 175.10 175.59 2ayx s ILE 900 N 0.41 5.23 -0.57 2.22 1.09 0.42 -1.64 121.20 128.36 2ayx s ILE 900 Ca -0.07 -0.42 -0.19 0.00 -1.10 0.00 0.00 60.65 58.86 2ayx s ILE 900 Cb -0.15 -3.88 0.10 0.00 -1.06 0.00 0.00 42.46 37.46 2ayx s ILE 900 CO 0.04 -0.23 0.67 -0.83 -0.10 0.00 0.00 174.94 174.49 2ayx s GLY 901 N 1.72 1.80 -0.18 6.18 0.00 0.23 -0.94 107.32 116.12 2ayx s GLY 901 Ca 0.07 -2.16 -0.14 0.00 0.00 0.00 0.00 44.72 42.49 2ayx s GLY 901 CO 0.11 1.53 0.30 0.54 0.00 0.00 0.00 173.10 175.58 2ayx s VAL 902 N 2.59 5.29 0.23 1.40 0.11 0.09 -1.74 120.40 128.37 2ayx s VAL 902 Ca 0.11 0.54 0.01 0.00 -2.93 0.00 0.00 61.98 59.71 2ayx s VAL 902 Cb -0.24 -3.64 -0.05 0.00 -1.53 0.00 0.00 36.38 30.93 2ayx s VAL 902 CO 0.07 0.35 0.09 -0.89 -3.33 0.00 0.00 175.10 171.39 2ayx s THR 903 N 0.77 0.47 -0.24 5.04 2.01 -0.32 -1.33 115.64 122.03 2ayx s THR 903 Ca 0.16 -2.00 -0.03 0.00 0.31 0.00 0.00 61.69 60.13 2ayx s THR 903 Cb -0.13 -2.53 0.10 0.00 0.01 0.00 0.00 72.50 69.94 2ayx s THR 903 CO 0.05 -0.08 0.18 0.00 -0.69 0.00 0.00 174.62 174.08 2ayx s ALA 904 N -3.81 0.12 -0.62 7.40 0.00 -1.17 -2.21 121.76 121.47 2ayx s ALA 904 Ca 0.36 -0.41 -0.07 0.00 0.00 0.00 0.00 51.96 51.83 2ayx s ALA 904 Cb 0.07 -1.38 0.01 0.00 0.00 0.00 0.00 23.12 21.82 2ayx s ALA 904 CO 0.12 -1.45 0.66 -1.71 0.00 0.00 0.00 175.76 173.38 2ayx n ASN 905 N 5.29 -7.63 -0.09 0.00 4.05 -1.26 -4.70 115.26 110.91 2ayx n ASN 905 Ca -0.05 0.10 0.01 0.00 0.45 0.00 0.00 54.58 55.09 2ayx n ASN 905 Cb 0.46 -5.04 0.01 0.00 1.23 0.00 0.00 39.78 36.44 2ayx n ASN 905 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2ayx n ALA 906 N -1.22 2.46 0.00 5.20 0.00 -1.26 -4.43 120.51 121.25 2ayx n ALA 906 Ca 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2ayx n ALA 906 Cb 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.10 0.00 -0.97 0.00 7.94 -1.26 -4.29 117.00 118.32 2ayx n LEU 907 Ca 0.01 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.98 2ayx n LEU 907 Cb 0.06 0.00 0.21 0.00 0.53 0.00 0.00 43.42 44.22 2ayx n LEU 907 CO 0.02 0.00 0.66 0.00 -1.11 0.00 0.00 177.39 176.96 2ayx n ALA 908 N 0.00 2.67 -0.09 1.96 0.00 -1.26 -4.31 120.51 119.47 2ayx n ALA 908 Ca 0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 53.44 52.53 2ayx n ALA 908 Cb 0.00 -0.99 0.24 0.00 0.00 0.00 0.00 19.45 18.69 2ayx n ALA 908 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ayx h GLU 909 N 2.60 0.74 0.81 0.00 3.07 -1.99 -0.62 114.58 119.20 2ayx h GLU 909 Ca 0.00 -0.14 -0.04 0.00 -0.50 0.00 0.00 59.36 58.68 2ayx h GLU 909 Cb 0.81 -0.12 0.01 0.00 -0.84 0.00 0.00 28.75 28.61 2ayx h GLU 909 CO 0.08 0.67 -0.40 1.05 -1.40 0.00 0.00 179.01 179.01 2ayx h GLU 910 N 0.72 -1.06 0.00 2.33 4.11 -1.97 0.31 114.58 119.03 2ayx h GLU 910 Ca 0.16 0.07 -0.09 0.00 0.07 0.00 0.00 59.36 59.57 2ayx h GLU 910 Cb 0.26 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2ayx h GLU 910 CO -0.00 -0.70 -0.45 -0.22 0.07 0.00 0.00 179.01 177.70 2ayx h LYS 911 N -1.10 0.00 -0.41 1.06 3.64 -1.88 -2.75 116.57 115.14 2ayx h LYS 911 Ca -0.11 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 2ayx h LYS 911 Cb 0.84 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 2ayx h LYS 911 CO 0.17 0.45 0.17 1.96 -2.27 0.00 0.00 179.45 179.94 2ayx h GLN 912 N 0.00 0.60 -0.87 1.90 4.20 -1.01 -1.75 115.11 118.18 2ayx h GLN 912 Ca -0.00 -0.10 0.02 0.00 0.06 0.00 0.00 58.65 58.62 2ayx h GLN 912 Cb 0.83 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.46 2ayx h GLN 912 CO 0.06 0.55 0.58 -0.09 -0.67 0.00 0.00 178.83 179.26 2ayx h ARG 913 N 0.52 1.12 -0.44 1.46 9.65 -0.65 0.36 114.38 126.40 2ayx h ARG 913 Ca 0.14 -0.07 -0.03 0.00 -1.10 0.00 0.00 59.98 58.92 2ayx h ARG 913 Cb 0.17 -0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 28.47 2ayx h ARG 913 CO -0.01 0.74 0.12 0.00 2.80 0.00 0.00 179.97 183.62 2ayx h LEU 915 N 0.63 -0.09 0.01 0.00 4.07 -0.11 -3.36 115.31 116.45 2ayx h LEU 915 Ca 0.15 -0.46 -0.00 0.00 0.08 0.00 0.00 57.88 57.64 2ayx h LEU 915 Cb 0.21 0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.97 2ayx h LEU 915 CO -0.01 0.45 -0.01 1.05 -1.08 0.00 0.00 178.44 178.85 2ayx h GLU 916 N -0.68 -0.01 -6.33 1.13 -0.00 -1.06 -3.47 114.58 104.15 2ayx h GLU 916 Ca -0.01 0.00 -0.49 0.00 -0.00 0.00 0.00 59.36 58.86 2ayx h GLU 916 Cb 0.55 0.00 -0.12 0.00 -0.00 0.00 0.00 28.75 29.19 2ayx h GLU 916 CO 0.02 0.62 -0.75 0.43 -0.00 0.00 0.00 179.01 179.32 2ayx n SER 917 N -4.79 -4.06 -0.10 3.06 7.64 -0.05 -4.87 113.62 110.45 2ayx n SER 917 Ca -0.09 -0.81 -0.11 0.00 1.01 0.00 0.00 58.87 58.87 2ayx n SER 917 Cb 0.32 -3.29 -0.15 0.00 -1.01 0.00 0.00 64.21 60.08 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 -1.48 -0.91 0.00 0.23 0.00 -1.26 -4.82 105.19 96.95 2ayx n GLY 918 Ca 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.85 0.00 0.00 1.61 2.81 -1.26 -4.74 117.12 112.69 2ayx n MET 919 Ca -0.33 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.56 2ayx n MET 919 Cb 1.13 -0.02 0.00 0.00 -0.71 0.00 0.00 33.22 33.62 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 -4.97 7.83 -0.08 -0.65 -2.55 116.55 116.13 2ayx n ASP 920 Ca 0.00 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.09 2ayx n ASP 920 Cb 0.00 0.00 0.04 0.00 2.34 0.00 0.00 41.12 43.50 2ayx n ASP 920 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2ayx s SER 921 N -4.00 5.28 -0.06 1.67 0.01 -0.96 -4.95 113.70 110.68 2ayx s SER 921 Ca 0.00 -0.43 -0.05 0.00 1.31 0.00 0.00 55.95 56.79 2ayx s SER 921 Cb 0.00 -0.39 0.02 0.00 0.21 0.00 0.00 66.02 65.86 2ayx s SER 921 CO 0.00 -1.12 0.16 0.00 0.41 0.00 0.00 173.24 172.68 2ayx n LEU 923 N 3.39 0.00 -4.21 0.00 4.77 -0.71 -4.92 117.00 115.33 2ayx n LEU 923 Ca -0.17 -1.88 -0.24 0.00 -0.03 0.00 0.00 56.01 53.69 2ayx n LEU 923 Cb 0.57 0.49 -0.14 0.00 -2.33 0.00 0.00 43.42 42.01 2ayx n LEU 923 CO 0.20 -0.28 -0.50 -0.44 -1.33 0.00 0.00 177.39 175.03 2ayx s SER 924 N -2.56 2.20 0.25 -1.43 0.01 -1.26 -1.18 113.70 109.73 2ayx s SER 924 Ca 0.09 -0.47 -0.04 0.00 1.31 0.00 0.00 55.95 56.84 2ayx s SER 924 Cb 0.00 -0.19 0.43 0.00 0.21 0.00 0.00 66.02 66.48 2ayx s SER 924 CO 0.06 0.14 1.78 0.50 0.41 0.00 0.00 173.24 176.13 2ayx h LYS 925 N 5.04 0.65 -4.65 12.44 3.64 -1.75 -3.16 116.57 128.77 2ayx h LYS 925 Ca -0.40 -0.04 -0.63 0.00 -1.27 0.00 0.00 60.65 58.31 2ayx h LYS 925 Cb 1.16 -0.15 0.08 0.00 -0.41 0.00 0.00 32.23 32.92 2ayx h LYS 925 CO 0.45 0.43 1.98 -2.30 -2.27 0.00 0.00 179.45 177.74 2ayx n PRO 926 N -4.83 0.98 -4.34 1.90 -0.02 -1.26 -4.88 135.00 122.55 2ayx n PRO 926 Ca 0.14 -1.55 -0.24 0.00 -2.02 0.00 0.00 63.50 59.82 2ayx n PRO 926 Cb 0.34 -2.77 -0.09 0.00 -0.02 0.00 0.00 33.50 30.96 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 5.69 3.08 0.29 -1.45 0.11 -1.20 -5.15 120.40 121.77 2ayx s VAL 927 Ca 0.61 -1.97 0.08 0.00 -2.93 0.00 0.00 61.98 57.78 2ayx s VAL 927 Cb 0.15 -2.60 -0.04 0.00 -1.53 0.00 0.00 36.38 32.36 2ayx s VAL 927 CO 0.20 -0.29 0.15 0.42 -3.33 0.00 0.00 175.10 172.24 2ayx s THR 928 N -2.16 3.72 0.49 5.04 -4.23 -1.26 -5.01 115.64 112.23 2ayx s THR 928 Ca 0.29 -1.60 0.17 0.00 -1.18 0.00 0.00 61.69 59.37 2ayx s THR 928 Cb -0.07 -3.13 0.24 0.00 1.34 0.00 0.00 72.50 70.88 2ayx s THR 928 CO 0.17 -0.29 2.08 0.25 -0.54 0.00 0.00 174.62 176.29 2ayx h LEU 929 N 1.57 0.00 -0.32 4.79 6.46 -2.01 -1.94 115.31 123.86 2ayx h LEU 929 Ca -0.46 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.29 2ayx h LEU 929 Cb 1.25 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.16 2ayx h LEU 929 CO 0.61 0.08 0.15 -0.78 -0.62 0.00 0.00 178.44 177.88 2ayx h ASP 930 N 0.00 0.42 -0.21 1.25 3.58 -1.98 -0.47 116.42 119.01 2ayx h ASP 930 Ca -0.00 -0.14 -0.15 0.00 0.42 0.00 0.00 57.03 57.16 2ayx h ASP 930 Cb 0.15 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2ayx h ASP 930 CO 0.01 0.44 -0.46 0.58 -2.88 0.00 0.00 179.24 176.93 2ayx h VAL 931 N 0.38 1.32 -0.61 2.25 2.07 -1.82 -0.31 116.25 119.52 2ayx h VAL 931 Ca 0.11 -1.69 -0.07 0.00 0.82 0.00 0.00 66.70 65.87 2ayx h VAL 931 Cb 0.13 1.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 2ayx h VAL 931 CO -0.01 0.53 0.09 -0.29 0.02 0.00 0.00 177.57 177.90 2ayx h ILE 932 N 0.38 1.25 -0.32 4.57 -0.00 -1.35 -0.83 117.51 121.20 2ayx h ILE 932 Ca 0.00 -1.00 -0.01 0.00 -0.00 0.00 0.00 64.86 63.85 2ayx h ILE 932 Cb 1.07 0.69 -0.01 0.00 -0.00 0.00 0.00 36.82 38.57 2ayx h ILE 932 CO 0.10 0.37 0.15 0.50 -0.00 0.00 0.00 178.15 179.27 2ayx h LYS 933 N 0.93 0.47 -0.05 2.19 3.11 -0.97 -0.27 116.57 121.99 2ayx h LYS 933 Ca 0.19 -0.08 0.02 0.00 -2.81 0.00 0.00 60.65 57.97 2ayx h LYS 933 Cb 0.42 -0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 31.54 2ayx h LYS 933 CO 0.01 0.45 -0.09 1.96 -2.81 0.00 0.00 179.45 178.98 2ayx h GLN 934 N 0.38 -0.13 -0.61 1.90 1.08 -0.72 0.48 115.11 117.50 2ayx h GLN 934 Ca 0.11 0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.29 2ayx h GLN 934 Cb 0.14 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.57 2ayx h GLN 934 CO -0.01 -0.08 0.25 1.15 -0.95 0.00 0.00 178.83 179.18 2ayx h THR 935 N -0.13 1.23 -0.44 -0.54 2.02 -1.06 -0.62 112.91 113.37 2ayx h THR 935 Ca 0.05 -0.71 -0.05 0.00 0.77 0.00 0.00 66.41 66.47 2ayx h THR 935 Cb 0.20 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 2ayx h THR 935 CO -0.13 0.28 0.05 0.25 0.37 0.00 0.00 175.52 176.34 2ayx h LEU 936 N 0.85 0.64 -0.23 2.58 5.85 -0.79 -1.11 115.31 123.11 2ayx h LEU 936 Ca 0.20 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 2ayx h LEU 936 Cb 0.19 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 2ayx h LEU 936 CO -0.02 0.68 -0.11 0.74 -0.34 0.00 0.00 178.44 179.39 2ayx h THR 937 N 0.66 1.30 -0.64 1.05 2.02 -0.40 0.85 112.91 117.75 2ayx h THR 937 Ca 0.14 -1.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.13 2ayx h THR 937 Cb 0.33 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 2ayx h THR 937 CO 0.01 0.36 0.34 0.25 0.37 0.00 0.00 175.52 176.84 2ayx h LEU 938 N 0.19 0.81 -0.64 2.58 5.85 -0.88 -1.55 115.31 121.67 2ayx h LEU 938 Ca 0.05 -0.11 -0.15 0.00 0.84 0.00 0.00 57.88 58.52 2ayx h LEU 938 Cb 0.60 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2ayx h LEU 938 CO 0.03 0.68 -0.65 1.88 -0.34 0.00 0.00 178.44 180.05 2ayx h TYR 939 N 0.87 0.20 -0.77 1.25 0.05 -1.18 -2.77 116.97 114.62 2ayx h TYR 939 Ca 0.22 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.90 2ayx h TYR 939 Cb 0.07 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 37.74 2ayx h TYR 939 CO -0.01 0.75 0.39 0.00 -1.05 0.00 0.00 178.16 178.25 2ayx h ALA 940 N 1.22 1.00 -0.32 3.88 0.00 -0.33 -0.09 119.26 124.61 2ayx h ALA 940 Ca -0.01 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 2ayx h ALA 940 Cb 1.16 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2ayx h ALA 940 CO 0.09 0.54 -0.17 1.05 0.00 0.00 0.00 179.25 180.77 2ayx h GLU 941 N 1.09 0.58 -0.08 0.00 -0.00 -1.18 -0.15 114.58 114.83 2ayx h GLU 941 Ca 0.27 -0.20 -0.01 0.00 -0.00 0.00 0.00 59.36 59.42 2ayx h GLU 941 Cb 0.09 -0.05 -0.00 0.00 -0.00 0.00 0.00 28.75 28.79 2ayx h GLU 941 CO -0.04 0.73 0.00 0.00 -0.00 0.00 0.00 179.01 179.70 2ayx h ARG 942 N 0.53 0.15 -0.04 1.06 2.47 -1.11 -2.54 114.38 114.90 2ayx h ARG 942 Ca 0.09 -0.05 -0.18 0.00 -1.26 0.00 0.00 59.98 58.58 2ayx h ARG 942 Cb 0.59 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.89 2ayx h ARG 942 CO 0.04 0.41 -0.76 -0.39 0.56 0.00 0.00 179.97 179.83 2ayx h VAL 943 N -0.13 1.43 -0.17 2.04 -1.51 -0.93 -2.19 116.25 114.79 2ayx h VAL 943 Ca 0.02 -2.31 -0.13 0.00 -1.23 0.00 0.00 66.70 63.05 2ayx h VAL 943 Cb 0.34 2.24 -0.01 0.00 -2.13 0.00 0.00 31.29 31.73 2ayx h VAL 943 CO 0.00 0.68 -0.45 0.08 -1.23 0.00 0.00 177.57 176.65 2ayx h ARG 944 N 0.16 0.43 0.04 5.19 0.11 -1.06 -1.57 114.38 117.68 2ayx h ARG 944 Ca -0.03 -0.23 -0.22 0.00 0.10 0.00 0.00 59.98 59.60 2ayx h ARG 944 Cb 1.33 0.01 -0.02 0.00 1.11 0.00 0.00 29.97 32.41 2ayx h ARG 944 CO 0.12 0.80 -1.03 1.57 0.10 0.00 0.00 179.97 181.53 2ayx h LYS 945 N 0.35 0.10 -0.06 0.08 2.10 -1.36 0.16 116.57 117.94 2ayx h LYS 945 Ca 0.02 -0.16 -0.21 0.00 -2.00 0.00 0.00 60.65 58.30 2ayx h LYS 945 Cb 0.93 0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.32 2ayx h LYS 945 CO 0.08 1.04 -0.83 0.77 -2.00 0.00 0.00 179.45 178.50 2ayx h SER 946 N 0.03 0.64 1.81 7.07 0.02 -1.33 -2.79 113.55 119.00 2ayx h SER 946 Ca -0.05 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 2ayx h SER 946 Cb 1.76 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 64.11 2ayx h SER 946 CO 0.15 1.23 0.00 -0.09 -1.14 0.00 0.00 176.83 176.98 2ayx h ARG 947 N 0.33 0.00 -4.39 3.45 2.43 -1.33 -3.49 114.38 111.39 2ayx h ARG 947 Ca -0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2ayx h ARG 947 Cb 1.45 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.00 2ayx h ARG 947 CO 0.15 0.00 -0.29 -3.47 -1.51 0.00 0.00 179.97 174.86 2ayx n ASP 948 N -3.02 -5.62 0.00 -3.80 2.03 -0.08 -5.07 116.55 100.99 2ayx n ASP 948 Ca 0.04 0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.65 2ayx n ASP 948 Cb 0.49 -3.68 0.00 0.00 -0.72 0.00 0.00 41.12 37.21 2ayx n ASP 948 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08