#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ayx s GLY 697 N 0.00 -0.87 0.00 -5.12 0.00 -1.26 -5.09 107.32 94.99 2ayx s GLY 697 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 44.72 45.25 2ayx s GLY 697 CO 0.00 3.32 0.00 0.61 0.00 0.00 0.00 173.10 177.03 2ayx n GLY 698 N 5.33 -1.44 0.00 0.20 0.00 -1.26 -4.91 105.19 103.10 2ayx n GLY 698 Ca 0.03 0.96 0.00 0.00 0.00 0.00 0.00 46.02 47.01 2ayx n GLY 698 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ayx n SER 699 N 0.00 0.00 0.00 1.61 3.41 -1.26 -4.97 113.62 112.41 2ayx n SER 699 Ca 0.00 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 2ayx n SER 699 Cb 0.00 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 2ayx n SER 699 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ayx n GLY 700 N 2.07 2.39 2.40 5.00 0.00 -1.26 -4.61 105.19 111.18 2ayx n GLY 700 Ca 0.00 -0.57 -0.18 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 -0.59 -2.61 1.61 0.31 -1.26 -0.70 118.33 115.09 2ayx n VAL 701 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.16 2ayx n VAL 701 Cb 0.00 -2.30 -0.00 0.00 -0.91 0.00 0.00 33.84 30.62 2ayx n VAL 701 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2ayx n GLU 702 N -2.71 -2.56 0.00 5.55 2.13 -1.26 -4.78 120.64 117.00 2ayx n GLU 702 Ca -0.20 0.75 0.00 0.00 0.66 0.00 0.00 57.16 58.37 2ayx n GLU 702 Cb 0.64 -5.42 0.00 0.00 0.27 0.00 0.00 31.44 26.93 2ayx n GLU 702 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ayx n GLY 703 N -1.01 4.14 0.00 8.31 0.00 0.12 -4.40 105.19 112.36 2ayx n GLY 703 Ca -0.16 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.47 2ayx n GLY 703 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ayx n LEU 704 N 0.00 0.00 -4.15 0.99 7.99 -1.26 -4.69 117.00 115.89 2ayx n LEU 704 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 56.01 55.76 2ayx n LEU 704 Cb 0.00 0.00 -0.15 0.00 -0.11 0.00 0.00 43.42 43.16 2ayx n LEU 704 CO 0.00 0.00 -0.50 -0.44 -1.51 0.00 0.00 177.39 174.94 2ayx s SER 705 N 0.71 1.98 0.00 -1.43 0.01 -1.26 -0.43 113.70 113.27 2ayx s SER 705 Ca 0.00 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 56.95 2ayx s SER 705 Cb 0.00 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.96 2ayx s SER 705 CO 0.00 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.46 2ayx n GLY 706 N 2.75 0.66 3.15 3.44 0.00 -0.99 -5.00 105.19 109.20 2ayx n GLY 706 Ca -0.15 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 2ayx n GLY 706 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ayx s LYS 707 N -4.17 0.62 0.22 1.61 2.47 -1.26 -5.08 119.74 114.16 2ayx s LYS 707 Ca 0.00 -0.61 0.11 0.00 -1.56 0.00 0.00 55.97 53.91 2ayx s LYS 707 Cb 0.00 0.26 -0.05 0.00 -1.46 0.00 0.00 37.83 36.58 2ayx s LYS 707 CO 0.00 -0.17 -0.19 0.50 0.16 0.00 0.00 175.35 175.65 2ayx s ARG 708 N -2.31 1.71 -0.01 4.03 3.52 -1.26 -1.46 118.95 123.17 2ayx s ARG 708 Ca -0.07 -1.55 -0.03 0.00 -0.13 0.00 0.00 55.73 53.95 2ayx s ARG 708 Cb -0.02 -1.90 -0.00 0.00 -1.56 0.00 0.00 34.95 31.47 2ayx s ARG 708 CO -0.03 0.38 0.06 0.00 -0.81 0.00 0.00 175.30 174.91 2ayx s TRP 710 N -0.73 2.78 -0.08 0.00 0.52 -0.07 -0.91 118.94 120.45 2ayx s TRP 710 Ca -0.08 -0.56 0.04 0.00 0.02 0.00 0.00 56.10 55.52 2ayx s TRP 710 Cb -0.05 -1.80 0.00 0.00 -1.15 0.00 0.00 33.47 30.48 2ayx s TRP 710 CO 0.00 -0.14 -0.20 -0.48 0.02 0.00 0.00 176.95 176.15 2ayx s LEU 711 N 0.13 1.96 -0.53 2.99 2.34 -0.62 -1.23 118.68 123.72 2ayx s LEU 711 Ca -0.07 -0.46 0.07 0.00 0.06 0.00 0.00 54.13 53.73 2ayx s LEU 711 Cb -0.15 -1.21 0.29 0.00 -0.56 0.00 0.00 46.19 44.56 2ayx s LEU 711 CO 0.05 0.14 0.76 0.00 -1.06 0.00 0.00 176.35 176.24 2ayx n ALA 712 N 3.47 3.63 -2.82 1.48 0.00 0.38 -1.06 120.51 125.60 2ayx n ALA 712 Ca -0.20 -4.29 -0.33 0.00 0.00 0.00 0.00 53.44 48.62 2ayx n ALA 712 Cb 0.53 -0.84 -0.13 0.00 0.00 0.00 0.00 19.45 19.00 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 -2.82 3.23 -0.15 0.00 1.01 -1.26 -1.03 120.40 119.39 2ayx s VAL 713 Ca 0.42 -0.62 0.18 0.00 0.00 0.00 0.00 61.98 61.95 2ayx s VAL 713 Cb 0.22 -2.33 -0.26 0.00 0.00 0.00 0.00 36.38 34.01 2ayx s VAL 713 CO -0.08 0.55 0.16 0.54 0.00 0.00 0.00 175.10 176.27 2ayx n ARG 714 N 2.99 0.80 -2.41 2.72 5.12 -1.26 -4.84 116.66 119.77 2ayx n ARG 714 Ca -0.18 -0.05 -0.42 0.00 -1.93 0.00 0.00 57.85 55.27 2ayx n ARG 714 Cb 0.53 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 30.30 2ayx n ARG 714 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 2ayx s ASN 715 N -5.14 7.01 0.13 0.55 0.01 -1.26 -4.94 114.94 111.31 2ayx s ASN 715 Ca -0.09 1.86 -0.12 0.00 -0.71 0.00 0.00 52.86 53.81 2ayx s ASN 715 Cb 0.08 -2.56 -0.07 0.00 0.41 0.00 0.00 41.25 39.11 2ayx s ASN 715 CO 0.81 -0.62 1.44 0.00 -1.51 0.00 0.00 177.10 177.22 2ayx h ALA 716 N 7.56 0.51 -0.82 0.60 0.00 -1.98 0.85 119.26 125.98 2ayx h ALA 716 Ca -0.34 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.09 2ayx h ALA 716 Cb 1.16 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2ayx h ALA 716 CO 0.89 0.66 0.51 0.77 0.00 0.00 0.00 179.25 182.07 2ayx h SER 717 N 0.70 0.98 -0.02 0.00 0.02 -1.98 0.53 113.55 113.79 2ayx h SER 717 Ca 0.04 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2ayx h SER 717 Cb 1.04 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.33 2ayx h SER 717 CO 0.10 0.74 -0.04 0.25 -1.14 0.00 0.00 176.83 176.75 2ayx h LEU 718 N 1.13 0.06 0.22 5.07 6.46 -1.81 -2.63 115.31 123.82 2ayx h LEU 718 Ca 0.30 -0.59 -0.01 0.00 -0.12 0.00 0.00 57.88 57.45 2ayx h LEU 718 Cb -0.07 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 39.85 2ayx h LEU 718 CO -0.06 0.64 -0.11 0.00 -0.62 0.00 0.00 178.44 178.30 2ayx h GLN 720 N -0.31 1.16 -0.49 0.00 5.75 -1.00 0.16 115.11 120.38 2ayx h GLN 720 Ca -0.03 -0.22 -0.04 0.00 -0.15 0.00 0.00 58.65 58.21 2ayx h GLN 720 Cb 0.24 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 2ayx h GLN 720 CO 0.05 0.96 0.15 0.35 -2.65 0.00 0.00 178.83 177.68 2ayx h PHE 721 N 1.12 0.79 -0.08 3.99 3.57 -1.38 -0.67 116.94 124.29 2ayx h PHE 721 Ca 0.25 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 2ayx h PHE 721 Cb 0.25 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 2ayx h PHE 721 CO 0.02 0.70 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.69 2ayx h LEU 722 N 0.66 0.16 -0.61 0.59 -0.00 -1.12 -2.19 115.31 112.80 2ayx h LEU 722 Ca 0.16 -0.42 -0.03 0.00 -0.00 0.00 0.00 57.88 57.59 2ayx h LEU 722 Cb 0.28 -0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 40.87 2ayx h LEU 722 CO -0.00 0.55 0.26 1.05 -0.00 0.00 0.00 178.44 180.29 2ayx h GLU 723 N -0.22 0.91 -0.13 1.13 4.11 -0.91 -1.80 114.58 117.67 2ayx h GLU 723 Ca 0.02 -0.16 -0.14 0.00 0.07 0.00 0.00 59.36 59.15 2ayx h GLU 723 Cb 0.48 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2ayx h GLU 723 CO 0.01 0.76 -0.53 1.15 0.07 0.00 0.00 179.01 180.48 2ayx h THR 724 N 0.85 1.34 -0.35 -1.06 2.02 -1.16 -0.96 112.91 113.60 2ayx h THR 724 Ca 0.21 -1.78 -0.13 0.00 0.77 0.00 0.00 66.41 65.47 2ayx h THR 724 Cb 0.19 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 2ayx h THR 724 CO -0.02 0.54 -0.32 0.28 0.37 0.00 0.00 175.52 176.37 2ayx h SER 725 N 0.30 0.80 -0.12 4.18 0.02 -1.10 -2.26 113.55 115.36 2ayx h SER 725 Ca 0.01 -0.33 -0.17 0.00 -0.84 0.00 0.00 61.79 60.46 2ayx h SER 725 Cb 1.02 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 63.35 2ayx h SER 725 CO 0.09 1.05 -0.58 -0.07 -1.14 0.00 0.00 176.83 176.18 2ayx h LEU 726 N 0.64 0.72 -0.01 5.07 3.38 -1.21 -2.93 115.31 120.98 2ayx h LEU 726 Ca 0.07 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2ayx h LEU 726 Cb 0.86 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2ayx h LEU 726 CO 0.07 1.24 0.00 0.00 0.09 0.00 0.00 178.44 179.85 2ayx n GLN 727 N -4.14 0.79 0.05 1.13 6.02 -0.37 -3.08 117.38 117.77 2ayx n GLN 727 Ca -0.08 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.81 2ayx n GLN 727 Cb 0.64 -1.00 0.02 0.00 1.02 0.00 0.00 30.24 30.92 2ayx n GLN 727 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2ayx h ARG 728 N 0.00 0.41 0.00 -1.09 2.43 -1.20 -3.43 114.38 111.49 2ayx h ARG 728 Ca 0.00 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 2ayx h ARG 728 Cb 0.00 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2ayx h ARG 728 CO 0.00 0.99 0.00 0.43 -1.51 0.00 0.00 179.97 179.88 2ayx n SER 729 N -3.82 0.00 -2.46 -3.80 7.64 -1.21 -5.02 113.62 104.95 2ayx n SER 729 Ca -0.05 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.82 2ayx n SER 729 Cb 0.72 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 64.00 2ayx n SER 729 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ayx n GLY 730 N 3.44 1.73 3.67 0.23 0.00 0.42 -4.99 105.19 109.70 2ayx n GLY 730 Ca 0.00 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.14 5.16 -0.35 -0.61 -1.09 -1.18 -2.35 121.20 119.64 2ayx s ILE 731 Ca 0.15 0.10 -0.15 0.00 -2.23 0.00 0.00 60.65 58.53 2ayx s ILE 731 Cb 0.36 -3.36 -0.01 0.00 -1.58 0.00 0.00 42.46 37.87 2ayx s ILE 731 CO -0.09 0.42 0.33 0.54 -1.23 0.00 0.00 174.94 174.91 2ayx s VAL 732 N 0.59 5.20 0.05 2.92 0.11 -0.53 -3.80 120.40 124.94 2ayx s VAL 732 Ca 0.06 -0.08 -0.03 0.00 -2.93 0.00 0.00 61.98 58.99 2ayx s VAL 732 Cb -0.12 -3.81 -0.05 0.00 -1.53 0.00 0.00 36.38 30.87 2ayx s VAL 732 CO 0.01 -0.10 0.26 0.54 -3.33 0.00 0.00 175.10 172.47 2ayx s VAL 733 N 1.93 5.32 -0.03 2.04 0.11 -1.26 -1.37 120.40 127.15 2ayx s VAL 733 Ca 0.10 -0.09 -0.02 0.00 -2.93 0.00 0.00 61.98 59.04 2ayx s VAL 733 Cb -0.17 -3.60 0.01 0.00 -1.53 0.00 0.00 36.38 31.10 2ayx s VAL 733 CO 0.11 0.21 0.07 -0.89 -3.33 0.00 0.00 175.10 171.27 2ayx s THR 734 N -1.45 -0.01 0.04 5.04 2.01 -0.08 -4.94 115.64 116.24 2ayx s THR 734 Ca 0.33 0.05 -0.34 0.00 0.31 0.00 0.00 61.69 62.04 2ayx s THR 734 Cb -0.13 -0.11 -0.13 0.00 0.01 0.00 0.00 72.50 72.14 2ayx s THR 734 CO 0.22 0.02 1.71 0.41 -0.69 0.00 0.00 174.62 176.30 2ayx n THR 735 N 3.36 0.27 -2.31 -0.82 -1.04 -1.26 -1.59 114.28 110.89 2ayx n THR 735 Ca -0.16 -0.05 -0.35 0.00 -2.04 0.00 0.00 64.05 61.45 2ayx n THR 735 Cb 0.57 -1.66 -0.03 0.00 -1.82 0.00 0.00 70.33 67.38 2ayx n THR 735 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2ayx s TYR 736 N 2.38 2.28 -0.02 -1.42 5.04 -0.22 -4.74 117.35 120.65 2ayx s TYR 736 Ca 0.86 -0.38 -0.18 0.00 -2.44 0.00 0.00 57.07 54.93 2ayx s TYR 736 Cb -0.70 -4.37 -0.10 0.00 0.35 0.00 0.00 41.96 37.15 2ayx s TYR 736 CO 0.45 -1.62 0.75 0.93 -1.34 0.00 0.00 175.55 174.72 2ayx h GLU 737 N 9.37 -0.61 0.00 4.97 4.39 -1.89 -3.47 114.58 127.34 2ayx h GLU 737 Ca 0.26 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.00 2ayx h GLU 737 Cb 0.94 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 2ayx h GLU 737 CO 1.33 -0.41 0.00 0.41 -1.16 0.00 0.00 179.01 179.18 2ayx n GLY 738 N 0.11 0.00 3.85 -3.84 0.00 -1.26 -5.15 105.19 98.90 2ayx n GLY 738 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 3.93 0.41 1.61 1.11 -1.26 -5.05 119.66 120.41 2ayx s GLN 739 Ca 0.00 0.45 -0.25 0.00 0.01 0.00 0.00 55.36 55.57 2ayx s GLN 739 Cb 0.00 -2.79 -0.08 0.00 -1.01 0.00 0.00 33.01 29.13 2ayx s GLN 739 CO 0.00 0.39 1.22 -1.21 0.01 0.00 0.00 175.29 175.70 2ayx s GLU 740 N -2.34 3.97 0.24 2.91 8.01 -1.26 -4.96 118.70 125.27 2ayx s GLU 740 Ca 0.43 1.94 -0.30 0.00 0.01 0.00 0.00 54.97 57.05 2ayx s GLU 740 Cb -0.13 -2.66 -0.10 0.00 -4.31 0.00 0.00 34.13 26.93 2ayx s GLU 740 CO 0.20 -0.42 1.41 -1.25 0.01 0.00 0.00 175.26 175.21 2ayx s PRO 741 N -2.34 4.29 -0.03 0.39 0.04 -1.26 -5.04 135.00 131.05 2ayx s PRO 741 Ca 0.58 2.26 0.06 0.00 0.04 0.00 0.00 61.00 63.94 2ayx s PRO 741 Cb -0.33 -3.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.06 2ayx s PRO 741 CO 0.42 -0.39 -0.22 0.99 0.04 0.00 0.00 177.00 177.84 2ayx s THR 742 N -0.01 2.41 0.02 1.26 2.01 -1.26 -4.91 115.64 115.17 2ayx s THR 742 Ca 0.59 -0.97 0.31 0.00 0.31 0.00 0.00 61.69 61.92 2ayx s THR 742 Cb -0.41 -1.88 0.32 0.00 0.01 0.00 0.00 72.50 70.54 2ayx s THR 742 CO 0.42 0.58 1.92 1.55 -0.69 0.00 0.00 174.62 178.41 2ayx h PRO 743 N 5.49 0.00 -0.02 4.92 0.13 -1.87 -0.59 132.00 140.07 2ayx h PRO 743 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2ayx h PRO 743 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2ayx h PRO 743 CO 0.48 0.00 -0.26 0.39 -0.23 0.00 0.00 178.00 178.38 2ayx n GLU 744 N -2.63 1.56 -4.18 0.86 -0.58 -1.26 -1.96 120.64 112.45 2ayx n GLU 744 Ca -0.01 -1.23 -0.26 0.00 -0.42 0.00 0.00 57.16 55.24 2ayx n GLU 744 Cb 0.14 -1.47 -0.07 0.00 -0.57 0.00 0.00 31.44 29.46 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 4.96 0.10 1.62 1.01 -0.23 -4.75 116.67 117.10 2ayx s ASP 745 Ca 0.24 -0.34 0.10 0.00 0.71 0.00 0.00 52.55 53.26 2ayx s ASP 745 Cb 0.19 -1.12 -0.04 0.00 1.01 0.00 0.00 42.92 42.96 2ayx s ASP 745 CO 0.46 0.07 -0.27 0.68 0.21 0.00 0.00 175.17 176.33 2ayx s VAL 746 N -1.79 2.21 -0.31 -1.27 -7.23 -1.26 -1.25 120.40 109.50 2ayx s VAL 746 Ca 0.29 -1.64 0.01 0.00 -1.81 0.00 0.00 61.98 58.83 2ayx s VAL 746 Cb -0.09 -1.94 0.07 0.00 0.56 0.00 0.00 36.38 34.99 2ayx s VAL 746 CO 0.20 0.18 0.00 -0.22 -0.31 0.00 0.00 175.10 174.95 2ayx s LEU 747 N -1.79 4.15 -0.45 1.32 1.98 -0.11 -0.89 118.68 122.89 2ayx s LEU 747 Ca 0.13 -1.65 -0.18 0.00 -2.89 0.00 0.00 54.13 49.54 2ayx s LEU 747 Cb -0.10 -1.65 0.03 0.00 0.66 0.00 0.00 46.19 45.13 2ayx s LEU 747 CO 0.05 -0.30 0.52 -0.63 -1.89 0.00 0.00 176.35 174.09 2ayx s ILE 748 N 1.09 4.99 0.07 6.68 1.01 -0.36 -0.67 121.20 134.01 2ayx s ILE 748 Ca -0.00 -0.31 0.07 0.00 0.00 0.00 0.00 60.65 60.40 2ayx s ILE 748 Cb -0.20 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 2ayx s ILE 748 CO -0.05 -0.55 -0.14 0.28 0.00 0.00 0.00 174.94 174.49 2ayx s THR 749 N 2.37 3.12 -0.26 2.92 -1.32 0.23 -0.47 115.64 122.23 2ayx s THR 749 Ca 0.15 -1.20 -0.13 0.00 -1.21 0.00 0.00 61.69 59.30 2ayx s THR 749 Cb -0.17 -2.39 -0.04 0.00 -1.51 0.00 0.00 72.50 68.38 2ayx s THR 749 CO 0.14 0.23 0.26 -0.62 -2.21 0.00 0.00 174.62 172.42 2ayx s ASP 750 N -1.81 6.16 0.86 8.08 2.15 -0.19 -1.16 116.67 130.75 2ayx s ASP 750 Ca 0.18 0.16 0.00 0.00 0.43 0.00 0.00 52.55 53.32 2ayx s ASP 750 Cb -0.11 -2.16 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 2ayx s ASP 750 CO 0.09 -0.07 0.00 1.21 -0.17 0.00 0.00 175.17 176.24 2ayx n GLU 751 N 4.90 0.00 -3.31 4.34 4.07 -0.08 -4.49 120.64 126.07 2ayx n GLU 751 Ca -0.12 0.00 -0.44 0.00 -0.06 0.00 0.00 57.16 56.54 2ayx n GLU 751 Cb 0.52 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.82 2ayx n GLU 751 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2ayx s VAL 752 N 0.00 5.10 -1.14 6.31 1.01 -1.26 -4.60 120.40 125.81 2ayx s VAL 752 Ca 0.00 -0.75 0.18 0.00 0.00 0.00 0.00 61.98 61.41 2ayx s VAL 752 Cb 0.00 -4.16 -0.13 0.00 0.00 0.00 0.00 36.38 32.09 2ayx s VAL 752 CO 0.00 -0.62 0.82 0.52 0.00 0.00 0.00 175.10 175.82 2ayx n VAL 753 N 5.37 0.00 -3.85 2.92 0.31 -1.26 -5.00 118.33 116.82 2ayx n VAL 753 Ca -0.10 -0.16 -0.26 0.00 -0.01 0.00 0.00 64.34 63.81 2ayx n VAL 753 Cb 0.45 1.08 0.02 0.00 -0.91 0.00 0.00 33.84 34.48 2ayx n VAL 753 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2ayx n SER 754 N -0.94 -2.64 -4.57 4.52 7.64 -1.26 -4.95 113.62 111.42 2ayx n SER 754 Ca 0.05 -0.84 -0.40 0.00 1.01 0.00 0.00 58.87 58.69 2ayx n SER 754 Cb 0.32 -3.80 -0.09 0.00 -1.01 0.00 0.00 64.21 59.63 2ayx n SER 754 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2ayx s LYS 755 N -6.36 3.73 -1.23 1.43 2.20 -1.26 -5.00 119.74 113.24 2ayx s LYS 755 Ca 0.31 -0.22 -0.18 0.00 -0.36 0.00 0.00 55.97 55.52 2ayx s LYS 755 Cb -0.16 -3.75 0.09 0.00 -1.51 0.00 0.00 37.83 32.50 2ayx s LYS 755 CO 0.84 -0.46 1.63 0.15 -0.36 0.00 0.00 175.35 177.14 2ayx s LYS 756 N 2.10 3.94 -0.55 4.03 -0.14 -1.26 -4.94 119.74 122.91 2ayx s LYS 756 Ca 0.14 -1.97 -0.27 0.00 -1.36 0.00 0.00 55.97 52.51 2ayx s LYS 756 Cb -0.16 -5.41 -0.01 0.00 -1.68 0.00 0.00 37.83 30.57 2ayx s LYS 756 CO 0.11 -2.15 1.68 -0.46 -0.76 0.00 0.00 175.35 173.77 2ayx s TRP 757 N 3.83 1.92 -1.01 3.18 -0.11 -1.26 -4.93 118.94 120.56 2ayx s TRP 757 Ca 0.50 0.62 -0.19 0.00 1.22 0.00 0.00 56.10 58.25 2ayx s TRP 757 Cb 0.02 -4.22 0.12 0.00 -1.50 0.00 0.00 33.47 27.89 2ayx s TRP 757 CO 0.04 -2.31 1.26 -0.65 -4.62 0.00 0.00 176.95 170.66 2ayx s GLN 758 N 6.23 3.70 0.00 5.86 -1.52 -1.26 -4.73 119.66 127.94 2ayx s GLN 758 Ca 0.63 -1.81 0.00 0.00 -1.95 0.00 0.00 55.36 52.24 2ayx s GLN 758 Cb -0.14 -5.04 0.00 0.00 -0.22 0.00 0.00 33.01 27.62 2ayx s GLN 758 CO 0.24 -1.86 0.00 0.41 -0.25 0.00 0.00 175.29 173.83 2ayx n GLY 759 N 5.48 3.40 0.28 3.09 0.00 -1.26 -4.24 105.19 111.94 2ayx n GLY 759 Ca 0.29 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.62 -1.81 1.61 2.43 -0.51 -3.45 114.38 112.03 2ayx h ARG 760 Ca 0.00 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2ayx h ARG 760 Cb 0.00 0.14 -0.22 0.00 -0.42 0.00 0.00 29.97 29.47 2ayx h ARG 760 CO 0.00 -0.39 0.31 0.00 -1.51 0.00 0.00 179.97 178.38 2ayx s ALA 761 N -4.26 -1.86 -0.19 2.80 0.00 -1.22 -4.65 121.76 112.38 2ayx s ALA 761 Ca -0.10 1.73 0.00 0.00 0.00 0.00 0.00 51.96 53.59 2ayx s ALA 761 Cb 0.01 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.28 2ayx s ALA 761 CO 0.32 -0.31 -0.17 0.54 0.00 0.00 0.00 175.76 176.14 2ayx s VAL 762 N -0.34 2.28 -0.37 0.00 0.11 0.12 -0.93 120.40 121.27 2ayx s VAL 762 Ca -0.02 -0.90 -0.08 0.00 -2.93 0.00 0.00 61.98 58.05 2ayx s VAL 762 Cb -0.03 -1.99 0.05 0.00 -1.53 0.00 0.00 36.38 32.88 2ayx s VAL 762 CO 0.01 0.49 0.17 -0.69 -3.33 0.00 0.00 175.10 171.76 2ayx s VAL 763 N 1.31 4.05 -0.33 2.04 1.01 0.15 -1.23 120.40 127.41 2ayx s VAL 763 Ca 0.05 -1.18 -0.15 0.00 0.00 0.00 0.00 61.98 60.70 2ayx s VAL 763 Cb -0.14 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 2ayx s VAL 763 CO -0.11 -0.29 0.36 -0.89 0.00 0.00 0.00 175.10 174.17 2ayx s THR 764 N 1.43 5.17 -0.73 3.92 2.01 0.41 -0.60 115.64 127.25 2ayx s THR 764 Ca 0.01 0.16 -0.15 0.00 0.31 0.00 0.00 61.69 62.02 2ayx s THR 764 Cb -0.20 -3.79 0.18 0.00 0.01 0.00 0.00 72.50 68.70 2ayx s THR 764 CO 0.03 -0.04 0.68 -0.36 -0.69 0.00 0.00 174.62 174.24 2ayx s PHE 765 N 2.03 3.56 -0.09 4.92 0.40 -0.31 -2.00 117.98 126.50 2ayx s PHE 765 Ca 0.12 -1.72 0.04 0.00 -0.60 0.00 0.00 56.93 54.77 2ayx s PHE 765 Cb -0.16 -3.82 -0.01 0.00 0.51 0.00 0.00 43.02 39.54 2ayx s PHE 765 CO 0.11 -1.01 -0.22 0.00 0.70 0.00 0.00 175.22 174.80 2ayx n ARG 767 N 3.24 0.28 -0.06 0.00 1.74 -1.26 -3.24 116.66 117.37 2ayx n ARG 767 Ca -0.18 0.11 -0.01 0.00 -0.77 0.00 0.00 57.85 57.00 2ayx n ARG 767 Cb 0.53 -0.99 -0.14 0.00 -1.02 0.00 0.00 32.46 30.83 2ayx n ARG 767 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2ayx n ARG 768 N -3.97 0.87 -3.63 5.56 5.12 -1.26 -4.76 116.66 114.59 2ayx n ARG 768 Ca -0.10 -0.08 -0.39 0.00 -1.93 0.00 0.00 57.85 55.36 2ayx n ARG 768 Cb 0.32 -1.46 -0.08 0.00 -1.16 0.00 0.00 32.46 30.08 2ayx n ARG 768 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 2ayx s HIS 769 N -2.81 3.49 -0.41 -1.55 3.76 -1.26 -5.04 115.29 111.47 2ayx s HIS 769 Ca -0.08 -2.44 -0.14 0.00 -0.15 0.00 0.00 55.06 52.25 2ayx s HIS 769 Cb 0.08 -3.35 0.03 0.00 1.11 0.00 0.00 32.58 30.45 2ayx s HIS 769 CO 0.76 -0.90 0.30 0.42 -0.85 0.00 0.00 174.74 174.47 2ayx s ILE 770 N 0.30 5.09 0.00 0.60 1.09 -1.26 -4.27 121.20 122.75 2ayx s ILE 770 Ca 0.15 -0.79 0.00 0.00 -1.10 0.00 0.00 60.65 58.91 2ayx s ILE 770 Cb -0.20 -3.88 0.00 0.00 -1.06 0.00 0.00 42.46 37.33 2ayx s ILE 770 CO -0.04 -0.35 0.00 0.61 -0.10 0.00 0.00 174.94 175.06 2ayx n GLY 771 N 5.13 0.99 3.72 6.18 0.00 -1.26 -5.07 105.19 114.88 2ayx n GLY 771 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 2ayx n GLY 771 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ayx s ILE 772 N -0.33 4.66 0.85 -0.61 1.01 -1.26 -5.03 121.20 120.50 2ayx s ILE 772 Ca 0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 60.65 60.43 2ayx s ILE 772 Cb 0.00 -3.00 0.10 0.00 0.01 0.00 0.00 42.46 39.57 2ayx s ILE 772 CO 0.00 0.59 1.09 -2.84 0.00 0.00 0.00 174.94 173.78 2ayx s PRO 773 N -0.72 1.61 0.00 2.79 0.02 -1.26 -4.95 135.00 132.49 2ayx s PRO 773 Ca 0.12 1.00 0.00 0.00 0.02 0.00 0.00 61.00 62.14 2ayx s PRO 773 Cb -0.12 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.57 2ayx s PRO 773 CO 0.02 -2.05 0.00 1.47 -0.33 0.00 0.00 177.00 176.12 2ayx n LEU 774 N -3.77 0.00 -3.78 -5.54 -0.00 -1.26 -4.47 117.00 98.18 2ayx n LEU 774 Ca 0.08 0.00 -0.38 0.00 -0.00 0.00 0.00 56.01 55.71 2ayx n LEU 774 Cb 0.54 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.85 2ayx n LEU 774 CO 0.54 0.00 1.46 -0.62 -0.00 0.00 0.00 177.39 178.77 2ayx n GLU 775 N 0.00 0.23 0.00 1.47 4.71 0.22 -3.37 120.64 123.90 2ayx n GLU 775 Ca 0.00 -1.29 0.00 0.00 -0.01 0.00 0.00 57.16 55.86 2ayx n GLU 775 Cb 0.00 -2.89 0.00 0.00 -1.01 0.00 0.00 31.44 27.54 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 7.94 2.55 -3.23 3.49 2.85 -1.26 -5.03 118.16 125.47 2ayx n LYS 776 Ca 0.46 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.50 2ayx n LYS 776 Cb 0.43 -0.72 0.00 0.00 -0.65 0.00 0.00 35.03 34.10 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 -1.15 3.91 -0.63 0.58 0.00 -1.22 -4.98 121.76 118.27 2ayx s ALA 777 Ca 0.00 -1.18 -0.24 0.00 0.00 0.00 0.00 51.96 50.54 2ayx s ALA 777 Cb 0.00 -1.97 -0.20 0.00 0.00 0.00 0.00 23.12 20.95 2ayx s ALA 777 CO 0.00 -0.20 1.86 -0.35 0.00 0.00 0.00 175.76 177.07 2ayx n PRO 778 N -1.88 1.16 0.00 0.00 -0.04 -1.26 -2.79 135.00 130.20 2ayx n PRO 778 Ca -0.00 -1.70 0.00 0.00 -0.04 0.00 0.00 63.50 61.76 2ayx n PRO 778 Cb 0.58 -2.90 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 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 4.74 1.79 3.68 0.55 0.00 -1.26 -4.86 105.19 109.82 2ayx n GLY 779 Ca 0.49 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.02 4.19 -0.02 1.61 2.12 -1.12 -0.70 118.70 124.76 2ayx s GLU 780 Ca 0.00 0.21 0.02 0.00 0.36 0.00 0.00 54.97 55.56 2ayx s GLU 780 Cb 0.00 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.87 2ayx s GLU 780 CO 0.00 -0.01 -0.08 -1.58 -0.54 0.00 0.00 175.26 173.05 2ayx s TRP 781 N 1.22 0.80 0.14 5.30 0.52 -0.36 -0.61 118.94 125.96 2ayx s TRP 781 Ca 0.19 -0.18 0.02 0.00 0.02 0.00 0.00 56.10 56.15 2ayx s TRP 781 Cb -0.15 -0.57 -0.04 0.00 -1.15 0.00 0.00 33.47 31.56 2ayx s TRP 781 CO 0.08 -0.07 -0.05 0.14 0.02 0.00 0.00 176.95 177.07 2ayx s VAL 782 N 0.13 0.81 -0.24 4.03 -7.23 -1.26 -0.45 120.40 116.19 2ayx s VAL 782 Ca -0.02 -1.98 -0.28 0.00 -1.81 0.00 0.00 61.98 57.89 2ayx s VAL 782 Cb -0.07 -1.89 0.15 0.00 0.56 0.00 0.00 36.38 35.13 2ayx s VAL 782 CO 0.00 -0.69 1.18 -2.28 -0.31 0.00 0.00 175.10 173.00 2ayx s HIS 783 N -3.56 -0.25 -0.53 2.82 2.46 -0.84 -4.95 115.29 110.43 2ayx s HIS 783 Ca 0.18 0.50 -0.16 0.00 0.47 0.00 0.00 55.06 56.05 2ayx s HIS 783 Cb 0.05 0.45 0.13 0.00 -0.13 0.00 0.00 32.58 33.08 2ayx s HIS 783 CO -0.00 -0.18 0.49 -1.12 -2.47 0.00 0.00 174.74 171.45 2ayx s SER 784 N -0.63 6.17 0.31 9.88 0.01 -1.20 -1.75 113.70 126.49 2ayx s SER 784 Ca 0.04 -1.76 -0.19 0.00 1.31 0.00 0.00 55.95 55.35 2ayx s SER 784 Cb -0.02 -2.20 0.06 0.00 0.21 0.00 0.00 66.02 64.06 2ayx s SER 784 CO -0.05 -0.84 0.86 0.68 0.41 0.00 0.00 173.24 174.30 2ayx s VAL 785 N 1.60 0.00 -0.59 3.43 -7.23 -1.26 -4.95 120.40 111.39 2ayx s VAL 785 Ca 0.03 -0.87 0.06 0.00 -1.81 0.00 0.00 61.98 59.39 2ayx s VAL 785 Cb -0.29 -2.74 0.31 0.00 0.56 0.00 0.00 36.38 34.21 2ayx s VAL 785 CO 0.03 0.00 0.87 0.00 -0.31 0.00 0.00 175.10 175.69 2ayx n ALA 786 N -0.57 4.36 -3.29 1.32 0.00 -1.26 -4.88 120.51 116.19 2ayx n ALA 786 Ca -0.06 -4.66 -0.09 0.00 0.00 0.00 0.00 53.44 48.62 2ayx n ALA 786 Cb 0.60 -0.79 0.01 0.00 0.00 0.00 0.00 19.45 19.26 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 0.15 -2.57 -0.94 0.00 0.00 -1.26 -4.75 120.51 111.13 2ayx n ALA 787 Ca 0.30 -0.07 -0.17 0.00 0.00 0.00 0.00 53.44 53.50 2ayx n ALA 787 Cb 0.41 -1.86 0.02 0.00 0.00 0.00 0.00 19.45 18.02 2ayx n ALA 787 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2ayx n PRO 788 N -2.27 1.84 0.00 0.00 -0.04 -1.26 -4.82 135.00 128.45 2ayx n PRO 788 Ca -0.09 -1.57 0.00 0.00 -0.04 0.00 0.00 63.50 61.80 2ayx n PRO 788 Cb 0.56 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 2ayx n PRO 788 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2ayx n HIS 789 N 0.49 0.00 -0.14 0.54 -0.00 -1.26 -4.72 115.22 110.14 2ayx n HIS 789 Ca 0.31 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.97 2ayx n HIS 789 Cb 0.58 -0.03 0.12 0.00 -0.00 0.00 0.00 29.99 30.65 2ayx n HIS 789 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 2ayx h GLU 790 N 0.13 0.87 0.33 1.57 4.11 -1.99 -2.65 114.58 116.94 2ayx h GLU 790 Ca 0.00 -0.26 -0.02 0.00 0.07 0.00 0.00 59.36 59.16 2ayx h GLU 790 Cb 0.00 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2ayx h GLU 790 CO 0.00 0.88 -0.16 1.25 0.07 0.00 0.00 179.01 181.05 2ayx h LEU 791 N 0.81 -0.38 -1.59 3.06 7.12 -1.94 -0.37 115.31 122.02 2ayx h LEU 791 Ca 0.15 -0.16 0.12 0.00 0.13 0.00 0.00 57.88 58.12 2ayx h LEU 791 Cb 0.50 0.10 -0.04 0.00 -0.53 0.00 0.00 40.66 40.69 2ayx h LEU 791 CO 0.03 -0.01 0.46 1.55 -0.13 0.00 0.00 178.44 180.34 2ayx h PRO 792 N -0.80 0.42 -0.28 5.25 0.13 -1.94 0.68 132.00 135.45 2ayx h PRO 792 Ca -0.05 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 64.99 2ayx h PRO 792 Cb 0.52 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.54 2ayx h PRO 792 CO 0.07 0.28 -0.10 0.00 -0.23 0.00 0.00 178.00 178.02 2ayx h ALA 793 N 1.66 0.39 -0.77 -0.56 0.00 -1.35 -2.27 119.26 116.37 2ayx h ALA 793 Ca 0.33 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2ayx h ALA 793 Cb 0.69 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2ayx h ALA 793 CO -0.10 0.24 0.29 1.25 0.00 0.00 0.00 179.25 180.93 2ayx h LEU 794 N 0.32 1.07 -1.37 0.00 7.12 -0.02 -2.35 115.31 120.08 2ayx h LEU 794 Ca 0.07 -0.17 -0.02 0.00 0.13 0.00 0.00 57.88 57.88 2ayx h LEU 794 Cb 0.60 -0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 40.43 2ayx h LEU 794 CO 0.03 0.96 0.15 -0.07 -0.13 0.00 0.00 178.44 179.39 2ayx h LEU 795 N 1.12 0.53 0.30 2.25 -0.00 -0.80 0.62 115.31 119.33 2ayx h LEU 795 Ca 0.25 -0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 58.06 2ayx h LEU 795 Cb 0.24 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 2ayx h LEU 795 CO -0.02 0.49 -0.14 0.00 -0.00 0.00 0.00 178.44 178.77 2ayx h ALA 796 N 1.59 -0.40 0.00 1.53 0.00 -0.87 -2.03 119.26 119.08 2ayx h ALA 796 Ca 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2ayx h ALA 796 Cb 0.13 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2ayx h ALA 796 CO -0.01 -0.65 -0.09 0.07 0.00 0.00 0.00 179.25 178.56 2ayx h ARG 797 N -0.54 0.00 0.00 0.00 0.11 -1.29 -0.54 114.38 112.11 2ayx h ARG 797 Ca -0.04 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.96 2ayx h ARG 797 Cb 0.40 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.47 2ayx h ARG 797 CO 0.07 0.09 -0.39 0.82 0.10 0.00 0.00 179.97 180.66 2ayx h ILE 798 N 0.00 1.12 0.00 0.08 2.04 -0.68 -3.24 117.51 116.84 2ayx h ILE 798 Ca -0.00 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.45 2ayx h ILE 798 Cb 0.67 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 2ayx h ILE 798 CO 0.01 0.38 -0.04 1.88 0.00 0.00 0.00 178.15 180.39 2ayx h TYR 799 N 0.00 0.00 -5.91 1.37 0.05 -0.64 -3.50 116.97 108.34 2ayx h TYR 799 Ca -0.00 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.58 2ayx h TYR 799 Cb 0.76 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.51 2ayx h TYR 799 CO 0.00 0.00 -0.84 -0.11 -1.05 0.00 0.00 178.16 176.16 2ayx n LEU 800 N -4.45 -5.27 -0.05 3.88 7.94 -0.28 -4.98 117.00 113.79 2ayx n LEU 800 Ca -0.01 0.17 -0.06 0.00 -1.11 0.00 0.00 56.01 55.00 2ayx n LEU 800 Cb 0.02 -2.53 -0.05 0.00 0.53 0.00 0.00 43.42 41.39 2ayx n LEU 800 CO 0.01 -1.19 -0.81 -0.38 -1.11 0.00 0.00 177.39 173.91 2ayx n ILE 801 N -0.32 0.56 -4.23 1.96 5.41 -1.26 -4.70 119.36 116.78 2ayx n ILE 801 Ca 0.01 -0.24 -0.31 0.00 1.00 0.00 0.00 62.75 63.21 2ayx n ILE 801 Cb 0.57 -0.84 -0.08 0.00 -0.71 0.00 0.00 39.64 38.59 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 -2.70 -1.32 -3.14 0.38 -0.58 -1.26 -4.93 120.64 107.10 2ayx n GLU 802 Ca -0.17 0.15 -0.20 0.00 -0.42 0.00 0.00 57.16 56.52 2ayx n GLU 802 Cb 0.70 -3.68 0.03 0.00 -0.57 0.00 0.00 31.44 27.92 2ayx n GLU 802 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 2ayx n MET 803 N -4.59 0.73 0.00 3.49 1.56 -1.26 -4.96 117.12 112.09 2ayx n MET 803 Ca -0.31 -2.85 0.00 0.00 -0.27 0.00 0.00 57.70 54.27 2ayx n MET 803 Cb 0.69 0.07 0.00 0.00 2.15 0.00 0.00 33.22 36.13 2ayx n MET 803 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 2ayx n GLU 804 N -1.84 0.00 -2.01 2.12 -0.58 -1.26 -4.46 120.64 112.61 2ayx n GLU 804 Ca 0.06 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.40 2ayx n GLU 804 Cb 0.53 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.37 2ayx n GLU 804 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2ayx s SER 805 N -4.00 5.42 -0.54 1.62 0.01 -1.26 -4.91 113.70 110.04 2ayx s SER 805 Ca 0.00 0.67 -0.27 0.00 1.31 0.00 0.00 55.95 57.66 2ayx s SER 805 Cb 0.00 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 2ayx s SER 805 CO 0.00 -2.19 1.88 1.51 0.41 0.00 0.00 173.24 174.85 2ayx s ASP 806 N 7.67 5.34 0.26 2.44 -4.77 -1.26 -4.96 116.67 121.40 2ayx s ASP 806 Ca 0.72 0.59 -0.30 0.00 -3.30 0.00 0.00 52.55 50.26 2ayx s ASP 806 Cb -0.16 -2.53 -0.10 0.00 -1.09 0.00 0.00 42.92 39.04 2ayx s ASP 806 CO 0.25 -2.27 1.47 -0.62 0.70 0.00 0.00 175.17 174.70 2ayx s ASP 807 N 7.96 6.58 0.00 2.11 2.15 -1.26 -4.86 116.67 129.34 2ayx s ASP 807 Ca 0.72 2.74 -0.03 0.00 0.43 0.00 0.00 52.55 56.41 2ayx s ASP 807 Cb -0.15 -2.63 -0.15 0.00 -0.30 0.00 0.00 42.92 39.70 2ayx s ASP 807 CO 0.24 -0.75 2.32 -0.81 -0.17 0.00 0.00 175.17 175.99 2ayx n PRO 808 N 2.20 1.18 -0.53 4.34 -0.04 -1.26 -4.39 135.00 136.50 2ayx n PRO 808 Ca 0.07 -0.55 -0.04 0.00 -0.04 0.00 0.00 63.50 62.94 2ayx n PRO 808 Cb 0.40 -1.73 0.15 0.00 -0.04 0.00 0.00 33.50 32.27 2ayx n PRO 808 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ayx n ALA 809 N 2.54 3.63 -1.80 0.55 0.00 -1.26 -4.92 120.51 119.25 2ayx n ALA 809 Ca 0.23 -1.20 -0.42 0.00 0.00 0.00 0.00 53.44 52.05 2ayx n ALA 809 Cb 0.55 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 2ayx n ALA 809 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2ayx s ASN 810 N -0.26 6.50 0.74 0.00 3.84 -1.26 -4.96 114.94 119.54 2ayx s ASN 810 Ca 0.28 2.65 -0.12 0.00 0.21 0.00 0.00 52.86 55.88 2ayx s ASN 810 Cb 0.22 -2.57 0.04 0.00 -0.55 0.00 0.00 41.25 38.40 2ayx s ASN 810 CO 0.07 -0.96 1.10 0.00 -2.79 0.00 0.00 177.10 174.52 2ayx s ALA 811 N 2.66 2.29 -0.45 1.71 0.00 -1.26 -5.00 121.76 121.71 2ayx s ALA 811 Ca 0.78 0.37 -0.15 0.00 0.00 0.00 0.00 51.96 52.96 2ayx s ALA 811 Cb -0.44 -3.29 0.06 0.00 0.00 0.00 0.00 23.12 19.45 2ayx s ALA 811 CO 0.35 -1.65 0.36 -0.51 0.00 0.00 0.00 175.76 174.30 2ayx s LEU 812 N -5.62 5.44 -0.78 0.00 1.02 -1.26 -4.98 118.68 112.50 2ayx s LEU 812 Ca 0.63 -1.23 -0.08 0.00 0.02 0.00 0.00 54.13 53.48 2ayx s LEU 812 Cb -0.18 -2.16 -0.17 0.00 0.02 0.00 0.00 46.19 43.70 2ayx s LEU 812 CO 0.52 -0.58 3.19 -2.65 0.02 0.00 0.00 176.35 176.84 2ayx n PRO 813 N 5.16 2.74 -2.08 1.29 -0.02 -1.26 -4.83 135.00 136.00 2ayx n PRO 813 Ca -0.12 -1.54 -0.38 0.00 -2.02 0.00 0.00 63.50 59.44 2ayx n PRO 813 Cb 0.44 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 2ayx n PRO 813 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2ayx n SER 814 N 3.08 3.80 -0.07 2.55 7.64 -1.26 -3.79 113.62 125.57 2ayx n SER 814 Ca 0.58 -2.80 0.00 0.00 1.01 0.00 0.00 58.87 57.67 2ayx n SER 814 Cb 0.55 -1.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 2ayx n SER 814 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2ayx n THR 815 N 6.66 0.00 0.00 0.44 5.66 -1.26 -5.10 114.28 120.67 2ayx n THR 815 Ca 0.48 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.48 2ayx n THR 815 Cb 0.44 0.11 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 2ayx n THR 815 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2ayx n ASP 816 N 0.00 0.00 -2.75 1.09 -0.08 -1.25 -4.83 116.55 108.73 2ayx n ASP 816 Ca 0.00 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.08 2ayx n ASP 816 Cb 0.50 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.97 2ayx n ASP 816 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2ayx n LYS 817 N 0.00 -3.19 -2.48 -0.67 4.81 -1.26 -4.87 118.16 110.50 2ayx n LYS 817 Ca 0.00 0.84 -0.42 0.00 -0.87 0.00 0.00 58.31 57.86 2ayx n LYS 817 Cb 0.00 -5.58 -0.00 0.00 0.02 0.00 0.00 35.03 29.47 2ayx n LYS 817 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ayx n ALA 818 N -2.81 3.66 0.88 3.14 0.00 -1.26 -4.78 120.51 119.33 2ayx n ALA 818 Ca -0.15 -3.82 0.00 0.00 0.00 0.00 0.00 53.44 49.47 2ayx n ALA 818 Cb 0.63 -3.60 0.00 0.00 0.00 0.00 0.00 19.45 16.48 2ayx n ALA 818 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2ayx n VAL 819 N 6.34 0.46 -3.25 0.00 0.24 -1.26 -4.82 118.33 116.03 2ayx n VAL 819 Ca 0.49 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.67 2ayx n VAL 819 Cb 0.45 -0.70 0.01 0.00 -1.47 0.00 0.00 33.84 32.13 2ayx n VAL 819 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2ayx n SER 820 N 0.32 -6.82 -4.68 -1.34 7.64 -1.26 -4.81 113.62 102.67 2ayx n SER 820 Ca 0.00 -0.18 -0.46 0.00 1.01 0.00 0.00 58.87 59.24 2ayx n SER 820 Cb 0.34 -3.99 -0.04 0.00 -1.01 0.00 0.00 64.21 59.51 2ayx n SER 820 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2ayx n ASP 821 N -1.50 3.58 -0.04 6.43 9.92 -1.26 -4.89 116.55 128.80 2ayx n ASP 821 Ca -0.07 0.99 -0.13 0.00 -0.53 0.00 0.00 54.79 55.06 2ayx n ASP 821 Cb 0.56 -1.44 -0.08 0.00 -0.64 0.00 0.00 41.12 39.53 2ayx n ASP 821 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 2ayx h ASN 822 N 8.58 0.23 -3.85 -2.24 -1.24 -2.00 -3.45 115.58 111.61 2ayx h ASN 822 Ca -0.48 -0.44 -0.68 0.00 0.71 0.00 0.00 56.30 55.42 2ayx h ASN 822 Cb 1.25 -0.07 -0.20 0.00 0.73 0.00 0.00 38.32 40.04 2ayx h ASN 822 CO 0.93 0.62 -0.81 -0.62 -1.29 0.00 0.00 177.43 176.26 2ayx s ASP 823 N -5.90 3.76 -0.01 1.15 2.15 -1.26 -4.99 116.67 111.57 2ayx s ASP 823 Ca -0.15 -0.54 0.20 0.00 0.43 0.00 0.00 52.55 52.49 2ayx s ASP 823 Cb 0.04 -0.51 0.33 0.00 -0.30 0.00 0.00 42.92 42.48 2ayx s ASP 823 CO 0.72 0.21 1.13 -0.67 -0.17 0.00 0.00 175.17 176.39 2ayx n ASP 824 N 1.08 0.52 -4.56 -0.34 2.03 -1.26 -4.89 116.55 109.13 2ayx n ASP 824 Ca -0.16 -2.00 -0.43 0.00 0.52 0.00 0.00 54.79 52.72 2ayx n ASP 824 Cb 0.53 -0.15 -0.05 0.00 -0.72 0.00 0.00 41.12 40.72 2ayx n ASP 824 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 2ayx s MET 825 N -0.06 3.55 -0.23 -0.67 1.75 -1.26 -4.95 119.30 117.41 2ayx s MET 825 Ca 0.26 0.06 -0.16 0.00 -1.25 0.00 0.00 55.69 54.60 2ayx s MET 825 Cb 0.30 -3.89 -0.04 0.00 2.84 0.00 0.00 34.83 34.04 2ayx s MET 825 CO -0.13 -1.01 0.39 1.41 -0.65 0.00 0.00 175.02 175.04 2ayx s MET 826 N 3.22 4.10 -0.16 4.11 0.00 -1.26 -1.80 119.30 127.52 2ayx s MET 826 Ca 0.30 0.14 -0.01 0.00 0.00 0.00 0.00 55.69 56.13 2ayx s MET 826 Cb -0.12 -3.59 -0.01 0.00 0.00 0.00 0.00 34.83 31.11 2ayx s MET 826 CO 0.20 -0.16 -0.13 0.42 0.00 0.00 0.00 175.02 175.36 2ayx s ILE 827 N 1.69 2.87 -0.33 10.11 -1.09 0.51 -0.75 121.20 134.21 2ayx s ILE 827 Ca 0.17 -0.70 -0.18 0.00 -2.23 0.00 0.00 60.65 57.71 2ayx s ILE 827 Cb -0.15 -2.23 -0.01 0.00 -1.58 0.00 0.00 42.46 38.49 2ayx s ILE 827 CO 0.09 0.50 0.51 -0.22 -1.23 0.00 0.00 174.94 174.59 2ayx s LEU 828 N 0.83 4.28 -0.58 2.97 0.20 -0.11 -0.98 118.68 125.30 2ayx s LEU 828 Ca -0.04 0.08 -0.13 0.00 0.69 0.00 0.00 54.13 54.74 2ayx s LEU 828 Cb -0.15 -2.60 0.15 0.00 -0.43 0.00 0.00 46.19 43.16 2ayx s LEU 828 CO 0.00 -0.44 0.50 -0.69 -0.29 0.00 0.00 176.35 175.43 2ayx s VAL 829 N 2.38 4.87 -0.28 1.68 1.01 0.10 -0.71 120.40 129.44 2ayx s VAL 829 Ca 0.19 -1.87 -0.03 0.00 0.00 0.00 0.00 61.98 60.27 2ayx s VAL 829 Cb -0.15 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.14 2ayx s VAL 829 CO 0.13 -0.87 -0.00 0.68 0.00 0.00 0.00 175.10 175.03 2ayx s VAL 830 N 1.14 3.15 0.22 2.92 -7.23 -0.69 -1.19 120.40 118.74 2ayx s VAL 830 Ca 0.08 -1.13 0.07 0.00 -1.81 0.00 0.00 61.98 59.19 2ayx s VAL 830 Cb -0.24 -2.70 -0.05 0.00 0.56 0.00 0.00 36.38 33.94 2ayx s VAL 830 CO -0.01 0.03 -0.10 -0.62 -0.31 0.00 0.00 175.10 174.09 2ayx s ASP 831 N 1.33 2.48 0.02 4.85 -1.08 -1.04 -0.81 116.67 122.43 2ayx s ASP 831 Ca -0.02 -1.09 0.22 0.00 -0.52 0.00 0.00 52.55 51.15 2ayx s ASP 831 Cb -0.18 -0.12 -0.05 0.00 -1.46 0.00 0.00 42.92 41.11 2ayx s ASP 831 CO -0.02 -0.27 0.95 -0.90 0.52 0.00 0.00 175.17 175.45 2ayx n ASP 832 N -0.43 0.63 -3.98 -0.34 5.75 -0.42 -4.32 116.55 113.44 2ayx n ASP 832 Ca -0.07 -0.41 -0.31 0.00 -0.01 0.00 0.00 54.79 53.99 2ayx n ASP 832 Cb 0.62 0.97 -0.15 0.00 -1.03 0.00 0.00 41.12 41.53 2ayx n ASP 832 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 2ayx s HIS 833 N -3.17 3.27 0.41 2.11 3.76 -1.26 -4.95 115.29 115.46 2ayx s HIS 833 Ca 0.04 -2.60 0.25 0.00 -0.15 0.00 0.00 55.06 52.59 2ayx s HIS 833 Cb 0.15 -2.47 1.33 0.00 1.11 0.00 0.00 32.58 32.69 2ayx s HIS 833 CO 0.83 -0.91 1.64 -1.35 -0.85 0.00 0.00 174.74 174.09 2ayx h PRO 834 N 7.74 0.14 -0.45 8.40 0.11 -1.87 0.82 132.00 146.89 2ayx h PRO 834 Ca -0.09 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.94 2ayx h PRO 834 Cb 1.03 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 2ayx h PRO 834 CO 0.49 0.09 -0.02 0.97 -0.21 0.00 0.00 178.00 179.33 2ayx h ILE 835 N 0.14 1.24 -0.06 4.15 2.10 -1.90 -2.07 117.51 121.11 2ayx h ILE 835 Ca 0.79 -0.99 -0.23 0.00 1.08 0.00 0.00 64.86 65.51 2ayx h ILE 835 Cb 2.28 0.92 0.02 0.00 -1.09 0.00 0.00 36.82 38.94 2ayx h ILE 835 CO -0.49 0.35 -0.87 0.78 -1.08 0.00 0.00 178.15 176.83 2ayx h ASN 836 N 0.69 0.87 -0.93 2.19 4.21 0.20 -2.53 115.58 120.27 2ayx h ASN 836 Ca 0.13 -0.69 0.16 0.00 1.21 0.00 0.00 56.30 57.10 2ayx h ASN 836 Cb 0.45 -0.26 -0.10 0.00 -1.12 0.00 0.00 38.32 37.29 2ayx h ASN 836 CO 0.02 1.44 0.53 -0.09 -1.29 0.00 0.00 177.43 178.04 2ayx h ARG 837 N 0.38 0.72 -0.44 0.81 2.43 -1.08 0.16 114.38 117.35 2ayx h ARG 837 Ca -0.09 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 58.94 2ayx h ARG 837 Cb 1.52 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.89 2ayx h ARG 837 CO 0.17 0.48 -0.11 -0.09 -1.51 0.00 0.00 179.97 178.91 2ayx h ARG 838 N 0.74 0.86 0.07 0.20 1.12 -1.33 -2.51 114.38 113.53 2ayx h ARG 838 Ca 0.51 -0.33 -0.00 0.00 -1.11 0.00 0.00 59.98 59.05 2ayx h ARG 838 Cb 0.70 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.61 2ayx h ARG 838 CO -0.35 0.96 -0.03 -0.07 -3.11 0.00 0.00 179.97 177.37 2ayx h LEU 839 N 0.69 -0.08 -0.94 3.80 3.38 -0.33 -0.17 115.31 121.66 2ayx h LEU 839 Ca 0.11 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 2ayx h LEU 839 Cb 0.65 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2ayx h LEU 839 CO 0.04 0.13 -0.43 0.17 0.09 0.00 0.00 178.44 178.44 2ayx h LEU 840 N -0.28 0.23 -0.28 1.67 -0.00 -1.06 -1.04 115.31 114.55 2ayx h LEU 840 Ca -0.01 -0.10 -0.03 0.00 -0.00 0.00 0.00 57.88 57.74 2ayx h LEU 840 Cb 0.24 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 40.83 2ayx h LEU 840 CO 0.02 0.63 0.05 0.00 -0.00 0.00 0.00 178.44 179.14 2ayx h ALA 841 N 1.38 0.37 -0.63 0.17 0.00 -1.30 0.40 119.26 119.64 2ayx h ALA 841 Ca 0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2ayx h ALA 841 Cb 0.83 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2ayx h ALA 841 CO 0.07 0.05 0.28 0.22 0.00 0.00 0.00 179.25 179.86 2ayx h ASP 842 N 0.27 0.85 -0.76 0.00 1.82 -0.82 -0.17 116.42 117.62 2ayx h ASP 842 Ca 0.08 -0.15 -0.03 0.00 -0.39 0.00 0.00 57.03 56.54 2ayx h ASP 842 Cb 0.33 -0.22 -0.03 0.00 0.68 0.00 0.00 39.33 40.08 2ayx h ASP 842 CO 0.00 0.76 0.34 1.56 -1.61 0.00 0.00 179.24 180.30 2ayx h GLN 843 N 0.88 1.11 -0.17 0.28 4.20 -1.03 0.47 115.11 120.84 2ayx h GLN 843 Ca 0.21 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 2ayx h GLN 843 Cb 0.16 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2ayx h GLN 843 CO -0.02 0.88 -0.19 1.25 -0.67 0.00 0.00 178.83 180.08 2ayx h LEU 844 N 1.08 0.27 -0.83 1.46 7.12 -0.60 -1.90 115.31 121.91 2ayx h LEU 844 Ca 0.26 -0.07 -0.10 0.00 0.13 0.00 0.00 57.88 58.10 2ayx h LEU 844 Cb 0.15 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.19 2ayx h LEU 844 CO -0.03 0.48 -0.17 1.23 -0.13 0.00 0.00 178.44 179.83 2ayx h GLY 845 N 0.88 0.75 2.00 3.75 0.00 0.11 -0.21 103.07 110.35 2ayx h GLY 845 Ca 0.05 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.74 2ayx h GLY 845 CO 0.03 0.54 -0.20 1.76 0.00 0.00 0.00 176.54 178.68 2ayx h SER 846 N 0.62 0.00 0.06 0.19 0.02 -0.18 -2.77 113.55 111.49 2ayx h SER 846 Ca 0.10 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2ayx h SER 846 Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 2ayx h SER 846 CO 0.04 0.20 -0.03 -0.07 -1.14 0.00 0.00 176.83 175.84 2ayx h LEU 847 N 0.00 -0.06 0.00 5.07 3.38 -0.98 -3.49 115.31 119.22 2ayx h LEU 847 Ca -0.00 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2ayx h LEU 847 Cb 0.36 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2ayx h LEU 847 CO 0.03 0.61 0.00 0.61 0.09 0.00 0.00 178.44 179.78 2ayx n GLY 848 N 0.88 0.88 3.70 0.83 0.00 -0.13 -5.12 105.19 106.24 2ayx n GLY 848 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.67 2.64 0.06 1.61 1.51 -1.22 -4.91 117.35 115.38 2ayx s TYR 849 Ca 0.00 -0.44 -0.31 0.00 -1.01 0.00 0.00 57.07 55.32 2ayx s TYR 849 Cb 0.00 -1.66 -0.06 0.00 -0.11 0.00 0.00 41.96 40.14 2ayx s TYR 849 CO 0.00 0.35 1.22 -1.14 -1.11 0.00 0.00 175.55 174.87 2ayx s GLN 850 N -3.82 4.42 0.02 -0.62 2.00 -0.74 -4.83 119.66 116.08 2ayx s GLN 850 Ca 0.37 1.79 0.00 0.00 -2.00 0.00 0.00 55.36 55.53 2ayx s GLN 850 Cb -0.01 -3.35 -0.02 0.00 0.80 0.00 0.00 33.01 30.44 2ayx s GLN 850 CO 0.22 -0.28 -0.03 0.00 -0.50 0.00 0.00 175.29 174.69 2ayx s LYS 852 N -1.16 1.37 -0.33 0.00 3.01 -0.15 -4.91 119.74 117.56 2ayx s LYS 852 Ca -0.12 -0.87 -0.11 0.00 -1.01 0.00 0.00 55.97 53.85 2ayx s LYS 852 Cb -0.08 -2.47 -0.01 0.00 -1.01 0.00 0.00 37.83 34.26 2ayx s LYS 852 CO -0.01 -0.62 0.20 0.99 0.51 0.00 0.00 175.35 176.42 2ayx s THR 853 N 1.50 4.90 0.38 2.17 2.01 -1.26 -0.72 115.64 124.62 2ayx s THR 853 Ca -0.04 -0.39 0.05 0.00 0.31 0.00 0.00 61.69 61.62 2ayx s THR 853 Cb -0.18 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 2ayx s THR 853 CO -0.07 -0.01 0.19 0.00 -0.69 0.00 0.00 174.62 174.04 2ayx s ALA 854 N 1.65 2.50 -0.41 7.40 0.00 -0.33 -4.87 121.76 127.71 2ayx s ALA 854 Ca 0.05 -1.55 0.06 0.00 0.00 0.00 0.00 51.96 50.52 2ayx s ALA 854 Cb -0.17 1.06 0.21 0.00 0.00 0.00 0.00 23.12 24.21 2ayx s ALA 854 CO 0.08 -0.47 0.43 0.27 0.00 0.00 0.00 175.76 176.07 2ayx n ASN 855 N -1.43 -0.10 -3.56 0.00 6.94 -1.26 -2.50 115.26 113.35 2ayx n ASN 855 Ca -0.01 -2.54 -0.06 0.00 -0.02 0.00 0.00 54.58 51.95 2ayx n ASN 855 Cb 0.64 -0.60 -0.02 0.00 -2.36 0.00 0.00 39.78 37.44 2ayx n ASN 855 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2ayx s ASP 856 N -0.56 -0.23 -0.20 0.53 2.15 -1.26 -4.95 116.67 112.15 2ayx s ASP 856 Ca 0.34 0.02 -0.10 0.00 0.43 0.00 0.00 52.55 53.24 2ayx s ASP 856 Cb 0.10 0.23 -0.20 0.00 -0.30 0.00 0.00 42.92 42.76 2ayx s ASP 856 CO -0.16 -0.37 0.06 0.61 -0.17 0.00 0.00 175.17 175.14 2ayx n GLY 857 N -0.08 -0.57 0.15 2.66 0.00 -1.26 -4.15 105.19 101.94 2ayx n GLY 857 Ca -0.03 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 2ayx n GLY 857 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2ayx h VAL 858 N -0.44 1.44 0.00 1.61 3.04 -1.95 -2.92 116.25 117.03 2ayx h VAL 858 Ca -0.49 -2.43 -0.00 0.00 -1.01 0.00 0.00 66.70 62.76 2ayx h VAL 858 Cb 1.73 2.35 -0.00 0.00 -2.01 0.00 0.00 31.29 33.36 2ayx h VAL 858 CO -0.13 0.72 -0.02 0.44 -1.01 0.00 0.00 177.57 177.57 2ayx h ASP 859 N 0.18 0.00 -0.65 3.17 3.32 -1.99 -1.98 116.42 118.46 2ayx h ASP 859 Ca -0.05 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 2ayx h ASP 859 Cb 1.46 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.98 2ayx h ASP 859 CO 0.14 0.02 0.21 0.00 -1.72 0.00 0.00 179.24 177.89 2ayx h ALA 860 N 1.98 1.11 -0.36 3.45 0.00 -1.67 0.16 119.26 123.92 2ayx h ALA 860 Ca -0.00 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 2ayx h ALA 860 Cb 0.54 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2ayx h ALA 860 CO 0.00 0.61 -0.34 1.25 0.00 0.00 0.00 179.25 180.78 2ayx h LEU 861 N 0.99 0.86 0.23 0.00 6.46 -1.43 -0.17 115.31 122.25 2ayx h LEU 861 Ca 0.22 -0.37 -0.01 0.00 -0.12 0.00 0.00 57.88 57.61 2ayx h LEU 861 Cb 0.28 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.96 2ayx h LEU 861 CO -0.01 1.12 -0.15 -1.13 -0.62 0.00 0.00 178.44 177.65 2ayx h ASN 862 N 0.68 -0.38 0.14 1.25 -1.24 -1.02 -2.00 115.58 113.01 2ayx h ASN 862 Ca 0.07 0.03 -0.07 0.00 0.71 0.00 0.00 56.30 57.04 2ayx h ASN 862 Cb 0.89 0.12 -0.01 0.00 0.73 0.00 0.00 38.32 40.05 2ayx h ASN 862 CO 0.08 -0.24 -0.23 1.62 -1.29 0.00 0.00 177.43 177.37 2ayx h VAL 863 N -0.38 1.22 -0.53 2.57 3.04 -0.95 -1.30 116.25 119.92 2ayx h VAL 863 Ca -0.02 -1.00 0.04 0.00 -1.01 0.00 0.00 66.70 64.71 2ayx h VAL 863 Cb 0.32 1.40 -0.03 0.00 -2.01 0.00 0.00 31.29 30.97 2ayx h VAL 863 CO 0.02 0.30 0.35 0.25 -1.01 0.00 0.00 177.57 177.48 2ayx h LEU 864 N 0.16 0.47 0.00 3.16 7.12 -0.52 0.31 115.31 126.02 2ayx h LEU 864 Ca 0.03 -0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.03 2ayx h LEU 864 Cb 0.51 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 40.53 2ayx h LEU 864 CO 0.04 0.32 -1.04 -1.20 -0.13 0.00 0.00 178.44 176.43 2ayx n SER 865 N -4.47 0.65 -0.63 1.25 7.64 -0.80 -4.17 113.62 113.09 2ayx n SER 865 Ca 0.07 0.06 0.10 0.00 1.01 0.00 0.00 58.87 60.11 2ayx n SER 865 Cb 0.19 0.67 0.04 0.00 -1.01 0.00 0.00 64.21 64.09 2ayx n SER 865 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2ayx n LYS 866 N -2.27 1.64 -3.48 1.43 4.76 -0.56 -4.99 118.16 114.70 2ayx n LYS 866 Ca 0.01 -1.30 -0.10 0.00 -2.87 0.00 0.00 58.31 54.04 2ayx n LYS 866 Cb 0.49 -1.41 -0.02 0.00 -1.84 0.00 0.00 35.03 32.25 2ayx n LYS 866 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2ayx s ASN 867 N -2.09 -0.48 0.20 4.39 6.03 0.02 -5.02 114.94 117.98 2ayx s ASN 867 Ca 0.20 -0.06 -0.30 0.00 -1.03 0.00 0.00 52.86 51.68 2ayx s ASN 867 Cb 0.17 0.55 -0.08 0.00 -3.03 0.00 0.00 41.25 38.86 2ayx s ASN 867 CO 0.41 -0.91 0.98 -2.28 -2.03 0.00 0.00 177.10 173.28 2ayx s HIS 868 N -3.59 3.85 0.01 1.54 5.65 -1.26 -4.54 115.29 116.95 2ayx s HIS 868 Ca 0.03 1.82 0.02 0.00 0.25 0.00 0.00 55.06 57.19 2ayx s HIS 868 Cb -0.01 -3.07 -0.01 0.00 -1.18 0.00 0.00 32.58 28.31 2ayx s HIS 868 CO -0.10 0.16 -0.07 0.42 -0.65 0.00 0.00 174.74 174.50 2ayx s ILE 869 N -0.69 0.52 -0.13 0.89 1.01 -1.26 -4.80 121.20 116.73 2ayx s ILE 869 Ca 0.44 -0.47 -0.12 0.00 0.00 0.00 0.00 60.65 60.50 2ayx s ILE 869 Cb -0.26 -0.47 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 2ayx s ILE 869 CO 0.32 0.01 -0.24 0.47 0.00 0.00 0.00 174.94 175.51 2ayx n ASP 870 N 2.56 1.36 -4.28 3.58 9.92 0.07 -4.95 116.55 124.81 2ayx n ASP 870 Ca -0.15 0.24 -0.29 0.00 -0.53 0.00 0.00 54.79 54.06 2ayx n ASP 870 Cb 0.57 -0.67 -0.16 0.00 -0.64 0.00 0.00 41.12 40.22 2ayx n ASP 870 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2ayx s ILE 871 N -2.33 1.90 -0.17 0.53 -1.09 -0.94 -4.28 121.20 114.83 2ayx s ILE 871 Ca -0.20 -1.07 0.01 0.00 -2.23 0.00 0.00 60.65 57.16 2ayx s ILE 871 Cb 0.03 -1.59 0.01 0.00 -1.58 0.00 0.00 42.46 39.33 2ayx s ILE 871 CO 0.30 0.50 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.62 2ayx s VAL 872 N -0.60 2.20 -0.20 2.92 1.01 -1.06 -0.93 120.40 123.74 2ayx s VAL 872 Ca 0.09 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 2ayx s VAL 872 Cb -0.09 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 2ayx s VAL 872 CO -0.00 0.53 -0.06 -0.76 0.00 0.00 0.00 175.10 174.81 2ayx s LEU 873 N 1.11 2.88 -0.40 3.92 1.43 0.11 -0.37 118.68 127.37 2ayx s LEU 873 Ca 0.00 -0.36 -0.06 0.00 -1.03 0.00 0.00 54.13 52.68 2ayx s LEU 873 Cb -0.14 -1.72 0.08 0.00 0.03 0.00 0.00 46.19 44.45 2ayx s LEU 873 CO -0.08 0.03 0.20 -0.44 0.23 0.00 0.00 176.35 176.29 2ayx s SER 874 N 1.19 5.41 -0.39 2.29 0.01 -0.09 -1.70 113.70 120.43 2ayx s SER 874 Ca 0.02 -1.63 -0.16 0.00 1.31 0.00 0.00 55.95 55.50 2ayx s SER 874 Cb -0.14 -1.90 0.01 0.00 0.21 0.00 0.00 66.02 64.20 2ayx s SER 874 CO -0.02 -0.50 0.38 -0.62 0.41 0.00 0.00 173.24 172.90 2ayx s ASP 875 N 1.91 6.17 -0.09 2.44 2.15 0.01 -0.99 116.67 128.27 2ayx s ASP 875 Ca 0.03 -0.54 0.01 0.00 0.43 0.00 0.00 52.55 52.48 2ayx s ASP 875 Cb -0.22 -2.20 0.02 0.00 -0.30 0.00 0.00 42.92 40.21 2ayx s ASP 875 CO -0.00 -0.46 -0.11 -0.69 -0.17 0.00 0.00 175.17 173.73 2ayx s VAL 876 N 2.02 1.16 -0.24 1.11 1.01 0.11 -1.30 120.40 124.27 2ayx s VAL 876 Ca 0.11 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.68 2ayx s VAL 876 Cb -0.17 -1.11 -0.19 0.00 0.00 0.00 0.00 36.38 34.91 2ayx s VAL 876 CO 0.12 0.38 -0.13 -3.20 0.00 0.00 0.00 175.10 172.27 2ayx n ASN 877 N 4.36 1.78 -4.45 3.32 5.15 -1.26 -1.97 115.26 122.20 2ayx n ASN 877 Ca -0.18 -0.09 -0.30 0.00 -0.60 0.00 0.00 54.58 53.41 2ayx n ASN 877 Cb 0.51 -0.31 -0.13 0.00 -0.53 0.00 0.00 39.78 39.32 2ayx n ASN 877 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 2ayx s MET 878 N -2.52 2.00 0.00 1.20 1.75 -1.26 -4.66 119.30 115.80 2ayx s MET 878 Ca -0.31 -1.02 0.01 0.00 -1.25 0.00 0.00 55.69 53.12 2ayx s MET 878 Cb 0.08 -2.15 0.04 0.00 2.84 0.00 0.00 34.83 35.64 2ayx s MET 878 CO 0.64 0.53 0.93 -0.35 -0.65 0.00 0.00 175.02 176.12 2ayx n PRO 879 N 1.47 0.01 0.00 4.11 -0.04 -1.26 -4.85 135.00 134.43 2ayx n PRO 879 Ca -0.16 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 2ayx n PRO 879 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2ayx n PRO 879 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2ayx n ASN 880 N -1.40 0.00 0.01 3.54 5.15 -1.26 -3.96 115.26 117.34 2ayx n ASN 880 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2ayx n ASN 880 Cb 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.26 2ayx n ASN 880 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 2ayx n MET 881 N 0.00 0.00 0.00 1.20 0.00 -1.26 -5.11 117.12 111.95 2ayx n MET 881 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2ayx n MET 881 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 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 -1.99 0.00 0.00 6.12 -0.08 -1.25 -5.04 116.55 114.31 2ayx n ASP 882 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2ayx n ASP 882 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2ayx n ASP 882 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ayx n GLY 883 N 5.00 -0.11 0.00 0.27 0.00 -1.26 -4.96 105.19 104.13 2ayx n GLY 883 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ayx n GLY 883 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2ayx n TYR 884 N 0.00 0.00 0.09 1.61 4.11 -1.26 -4.74 117.16 116.97 2ayx n TYR 884 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.90 57.95 2ayx n TYR 884 Cb 0.00 0.00 0.49 0.00 -0.00 0.00 0.00 39.34 39.83 2ayx n TYR 884 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.86 176.93 2ayx h ARG 885 N 0.00 0.35 -0.19 -3.48 -0.00 -1.98 -0.45 114.38 108.64 2ayx h ARG 885 Ca 0.00 -0.02 -0.03 0.00 -0.00 0.00 0.00 59.98 59.93 2ayx h ARG 885 Cb 0.67 -0.08 -0.01 0.00 -0.00 0.00 0.00 29.97 30.56 2ayx h ARG 885 CO 0.00 0.24 -0.00 1.25 -0.00 0.00 0.00 179.97 181.46 2ayx h LEU 886 N 0.36 0.33 -0.15 0.08 5.85 -1.88 0.29 115.31 120.19 2ayx h LEU 886 Ca 0.10 -0.31 -0.23 0.00 0.84 0.00 0.00 57.88 58.27 2ayx h LEU 886 Cb -0.02 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 40.93 2ayx h LEU 886 CO -0.02 0.56 -0.92 0.71 -0.34 0.00 0.00 178.44 178.43 2ayx h THR 887 N 0.08 1.34 -0.09 1.05 1.35 -1.76 -2.46 112.91 112.43 2ayx h THR 887 Ca 0.05 -2.28 -0.05 0.00 -0.55 0.00 0.00 66.41 63.58 2ayx h THR 887 Cb 0.40 2.30 -0.00 0.00 -1.73 0.00 0.00 68.15 69.12 2ayx h THR 887 CO 0.01 0.69 -0.14 1.56 -0.25 0.00 0.00 175.52 177.39 2ayx h GLN 888 N 0.33 0.25 -0.75 4.72 1.08 -1.10 -2.66 115.11 116.97 2ayx h GLN 888 Ca -0.08 -0.15 -0.04 0.00 -1.45 0.00 0.00 58.65 56.92 2ayx h GLN 888 Cb 1.55 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.96 2ayx h GLN 888 CO 0.17 0.73 0.31 0.00 -0.95 0.00 0.00 178.83 179.09 2ayx h ARG 889 N -0.20 1.11 -0.51 1.46 2.47 -1.00 0.84 114.38 118.55 2ayx h ARG 889 Ca 0.01 -0.19 -0.12 0.00 -1.26 0.00 0.00 59.98 58.42 2ayx h ARG 889 Cb 0.71 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.82 2ayx h ARG 889 CO 0.03 0.89 -0.15 0.97 0.56 0.00 0.00 179.97 182.27 2ayx h ILE 890 N 1.09 1.27 0.00 2.04 2.10 -1.47 -0.82 117.51 121.72 2ayx h ILE 890 Ca 0.25 -1.30 -0.06 0.00 1.08 0.00 0.00 64.86 64.83 2ayx h ILE 890 Cb 0.18 1.06 -0.01 0.00 -1.09 0.00 0.00 36.82 36.96 2ayx h ILE 890 CO -0.02 0.45 -0.31 0.08 -1.08 0.00 0.00 178.15 177.28 2ayx h ARG 891 N 0.86 0.00 -0.05 2.19 0.11 -1.23 -2.34 114.38 113.92 2ayx h ARG 891 Ca 0.12 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 60.07 2ayx h ARG 891 Cb 0.72 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.81 2ayx h ARG 891 CO 0.06 0.31 -0.51 1.96 0.10 0.00 0.00 179.97 181.88 2ayx h GLN 892 N 0.00 0.44 -0.28 0.08 1.08 -0.48 -3.32 115.11 112.62 2ayx h GLN 892 Ca -0.00 -0.40 -0.07 0.00 -1.45 0.00 0.00 58.65 56.73 2ayx h GLN 892 Cb 1.03 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.55 2ayx h GLN 892 CO 0.04 1.05 -0.10 -0.07 -0.95 0.00 0.00 178.83 178.80 2ayx h LEU 893 N -0.03 0.57 0.00 1.46 3.38 -1.18 -3.46 115.31 116.05 2ayx h LEU 893 Ca -0.05 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2ayx h LEU 893 Cb 1.18 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2ayx h LEU 893 CO 0.10 0.83 0.00 0.61 0.09 0.00 0.00 178.44 180.07 2ayx n GLY 894 N -0.10 -1.42 3.61 0.83 0.00 -1.09 -5.11 105.19 101.91 2ayx n GLY 894 Ca -0.03 0.49 -0.43 0.00 0.00 0.00 0.00 46.02 46.05 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 3.66 -0.05 0.99 2.96 -0.90 -4.80 118.68 120.55 2ayx s LEU 895 Ca 0.00 0.85 0.14 0.00 -0.22 0.00 0.00 54.13 54.90 2ayx s LEU 895 Cb 0.00 -3.54 0.25 0.00 0.50 0.00 0.00 46.19 43.40 2ayx s LEU 895 CO 0.00 -1.32 1.11 0.35 -1.32 0.00 0.00 176.35 175.18 2ayx n THR 896 N 6.83 0.55 -4.07 3.68 -2.24 -1.26 -4.97 114.28 112.79 2ayx n THR 896 Ca 0.15 -1.11 -0.13 0.00 -2.27 0.00 0.00 64.05 60.69 2ayx n THR 896 Cb 0.48 0.48 -0.11 0.00 -2.10 0.00 0.00 70.33 69.08 2ayx n THR 896 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2ayx s LEU 897 N -0.82 2.26 -0.13 3.22 2.34 -1.26 -5.12 118.68 119.17 2ayx s LEU 897 Ca 0.22 -0.56 -0.29 0.00 0.06 0.00 0.00 54.13 53.56 2ayx s LEU 897 Cb 0.23 -0.18 -0.04 0.00 -0.56 0.00 0.00 46.19 45.64 2ayx s LEU 897 CO -0.07 -0.20 1.56 -2.84 -1.06 0.00 0.00 176.35 173.74 2ayx s PRO 898 N -1.62 4.07 -0.29 1.48 0.02 -1.26 -4.89 135.00 132.51 2ayx s PRO 898 Ca -0.09 1.92 -0.09 0.00 0.02 0.00 0.00 61.00 62.75 2ayx s PRO 898 Cb -0.10 -3.96 -0.02 0.00 0.02 0.00 0.00 34.50 30.44 2ayx s PRO 898 CO 0.00 -0.96 0.13 0.08 -0.33 0.00 0.00 177.00 175.93 2ayx s VAL 899 N 4.30 4.63 -0.49 3.83 1.01 -1.08 -2.58 120.40 130.03 2ayx s VAL 899 Ca 0.69 -0.24 -0.21 0.00 0.00 0.00 0.00 61.98 62.22 2ayx s VAL 899 Cb -0.28 -3.27 0.04 0.00 0.00 0.00 0.00 36.38 32.86 2ayx s VAL 899 CO 0.26 0.19 0.73 -0.63 0.00 0.00 0.00 175.10 175.65 2ayx s ILE 900 N 1.64 4.71 -0.37 2.22 1.01 0.51 -0.87 121.20 130.05 2ayx s ILE 900 Ca 0.06 0.02 -0.20 0.00 0.00 0.00 0.00 60.65 60.52 2ayx s ILE 900 Cb -0.16 -4.33 0.01 0.00 0.01 0.00 0.00 42.46 37.98 2ayx s ILE 900 CO 0.06 -0.81 0.63 -0.83 0.00 0.00 0.00 174.94 173.99 2ayx s GLY 901 N 2.44 1.75 -0.13 6.18 0.00 -0.11 -0.91 107.32 116.54 2ayx s GLY 901 Ca 0.23 -0.92 -0.00 0.00 0.00 0.00 0.00 44.72 44.03 2ayx s GLY 901 CO 0.17 1.48 -0.12 0.54 0.00 0.00 0.00 173.10 175.18 2ayx s VAL 902 N 2.71 3.15 0.17 1.40 0.11 -0.16 -1.52 120.40 126.26 2ayx s VAL 902 Ca 0.24 -0.63 0.05 0.00 -2.93 0.00 0.00 61.98 58.70 2ayx s VAL 902 Cb -0.14 -2.33 -0.05 0.00 -1.53 0.00 0.00 36.38 32.33 2ayx s VAL 902 CO 0.15 0.53 -0.09 -0.89 -3.33 0.00 0.00 175.10 171.47 2ayx s THR 903 N 0.28 1.20 -0.29 5.04 2.01 -0.17 -0.71 115.64 122.99 2ayx s THR 903 Ca -0.09 -2.07 0.03 0.00 0.31 0.00 0.00 61.69 59.87 2ayx s THR 903 Cb -0.15 -1.95 0.08 0.00 0.01 0.00 0.00 72.50 70.48 2ayx s THR 903 CO 0.05 -0.66 -0.02 0.00 -0.69 0.00 0.00 174.62 173.30 2ayx s ALA 904 N -3.31 2.55 -1.11 7.40 0.00 -0.83 -1.30 121.76 125.16 2ayx s ALA 904 Ca 0.19 -2.02 -0.01 0.00 0.00 0.00 0.00 51.96 50.13 2ayx s ALA 904 Cb 0.03 -1.72 -0.01 0.00 0.00 0.00 0.00 23.12 21.41 2ayx s ALA 904 CO 0.02 -1.43 0.93 -1.71 0.00 0.00 0.00 175.76 173.58 2ayx n ASN 905 N 4.42 -2.62 0.01 0.00 5.15 -1.26 -4.88 115.26 116.08 2ayx n ASN 905 Ca -0.06 -0.60 -0.03 0.00 -0.60 0.00 0.00 54.58 53.30 2ayx n ASN 905 Cb 0.42 -4.88 -0.10 0.00 -0.53 0.00 0.00 39.78 34.69 2ayx n ASN 905 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ayx n ALA 906 N -3.84 1.80 -1.48 5.20 0.00 -1.26 -4.96 120.51 115.96 2ayx n ALA 906 Ca -0.25 -0.63 -0.15 0.00 0.00 0.00 0.00 53.44 52.42 2ayx n ALA 906 Cb 0.65 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 19.13 2ayx n ALA 906 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ayx n LEU 907 N -2.93 -1.13 -1.08 0.00 7.99 -1.26 -4.67 117.00 113.91 2ayx n LEU 907 Ca -0.12 0.36 -0.06 0.00 -0.01 0.00 0.00 56.01 56.17 2ayx n LEU 907 Cb 0.91 -2.22 -0.05 0.00 -0.11 0.00 0.00 43.42 41.95 2ayx n LEU 907 CO 0.44 -0.76 0.34 0.00 -1.51 0.00 0.00 177.39 175.90 2ayx n ALA 908 N 1.14 3.28 0.01 -1.18 0.00 -1.26 -4.99 120.51 117.50 2ayx n ALA 908 Ca -0.15 -0.66 -0.00 0.00 0.00 0.00 0.00 53.44 52.63 2ayx n ALA 908 Cb 0.50 -0.36 0.29 0.00 0.00 0.00 0.00 19.45 19.89 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 0.07 0.51 -0.26 0.00 5.08 -1.99 -0.42 114.58 117.56 2ayx h GLU 909 Ca -0.52 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 57.67 2ayx h GLU 909 Cb 1.33 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 2ayx h GLU 909 CO -0.26 0.56 -0.08 1.05 -1.00 0.00 0.00 179.01 179.28 2ayx h GLU 910 N 0.48 0.52 -0.04 2.33 9.09 -2.00 -2.05 114.58 122.91 2ayx h GLU 910 Ca 0.10 -0.20 -0.14 0.00 0.05 0.00 0.00 59.36 59.16 2ayx h GLU 910 Cb 0.37 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.42 2ayx h GLU 910 CO 0.01 0.74 -0.62 -0.22 0.05 0.00 0.00 179.01 178.97 2ayx h LYS 911 N 0.26 0.16 -0.34 1.06 3.64 -1.88 -2.67 116.57 116.80 2ayx h LYS 911 Ca 0.07 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.24 2ayx h LYS 911 Cb 0.55 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 2ayx h LYS 911 CO 0.03 0.73 -0.13 0.37 -2.27 0.00 0.00 179.45 178.17 2ayx h GLN 912 N 0.11 0.69 -0.31 1.90 -0.00 -1.00 -0.14 115.11 116.36 2ayx h GLN 912 Ca -0.01 -0.29 -0.09 0.00 -0.00 0.00 0.00 58.65 58.26 2ayx h GLN 912 Cb 1.12 -0.03 -0.02 0.00 0.00 0.00 0.00 27.48 28.56 2ayx h GLN 912 CO 0.09 0.88 -0.18 0.07 0.00 0.00 0.00 178.83 179.69 2ayx h ARG 913 N 0.47 0.57 -0.13 1.69 -0.00 -1.31 -1.46 114.38 114.21 2ayx h ARG 913 Ca 0.08 -0.19 -0.18 0.00 -0.00 0.00 0.00 59.98 59.69 2ayx h ARG 913 Cb 0.66 -0.04 -0.00 0.00 -0.00 0.00 0.00 29.97 30.58 2ayx h ARG 913 CO 0.04 0.72 -0.65 0.00 -0.00 0.00 0.00 179.97 180.09 2ayx h LEU 915 N 0.36 0.92 -0.04 0.00 5.85 -0.66 -3.12 115.31 118.61 2ayx h LEU 915 Ca -0.01 -0.29 -0.25 0.00 0.84 0.00 0.00 57.88 58.16 2ayx h LEU 915 Cb 1.21 -0.25 0.02 0.00 0.37 0.00 0.00 40.66 42.01 2ayx h LEU 915 CO 0.12 0.98 -0.96 -0.33 -0.34 0.00 0.00 178.44 177.91 2ayx h GLU 916 N 0.83 0.73 -6.42 1.25 4.39 -1.27 -3.48 114.58 110.61 2ayx h GLU 916 Ca 0.16 -0.73 -0.49 0.00 0.34 0.00 0.00 59.36 58.64 2ayx h GLU 916 Cb 0.49 0.19 -0.06 0.00 -0.10 0.00 0.00 28.75 29.28 2ayx h GLU 916 CO 0.02 1.31 -0.83 0.43 -1.16 0.00 0.00 179.01 178.78 2ayx n SER 917 N -3.89 -2.36 -0.99 1.42 7.64 -0.49 -4.78 113.62 110.17 2ayx n SER 917 Ca -0.10 -0.91 0.01 0.00 1.01 0.00 0.00 58.87 58.88 2ayx n SER 917 Cb 0.84 -3.42 -0.00 0.00 -1.01 0.00 0.00 64.21 60.62 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 -1.70 0.76 0.00 0.23 0.00 -1.26 -5.01 105.19 98.22 2ayx n GLY 918 Ca -0.13 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 0.21 0.00 0.00 1.61 2.81 -1.26 -4.76 117.12 115.72 2ayx n MET 919 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 2ayx n MET 919 Cb 0.87 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.38 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 -4.69 7.83 -0.08 -0.05 -2.62 116.55 116.95 2ayx n ASP 920 Ca 0.00 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 53.00 2ayx n ASP 920 Cb 0.00 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.37 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 0.00 4.08 -0.19 1.67 0.01 -0.54 -4.95 113.70 113.77 2ayx s SER 921 Ca 0.00 -1.37 -0.17 0.00 1.31 0.00 0.00 55.95 55.72 2ayx s SER 921 Cb 0.00 -0.19 0.05 0.00 0.21 0.00 0.00 66.02 66.09 2ayx s SER 921 CO 0.00 -0.58 0.51 0.00 0.41 0.00 0.00 173.24 173.58 2ayx n LEU 923 N 2.94 0.00 -4.85 0.00 -0.00 -0.57 -4.94 117.00 109.58 2ayx n LEU 923 Ca -0.14 -1.48 -0.22 0.00 -0.00 0.00 0.00 56.01 54.17 2ayx n LEU 923 Cb 0.56 1.94 -0.04 0.00 -0.00 0.00 0.00 43.42 45.88 2ayx n LEU 923 CO 0.09 -0.45 -0.15 -0.44 -0.00 0.00 0.00 177.39 176.45 2ayx s SER 924 N -2.17 5.62 0.17 1.45 0.01 -1.26 -1.00 113.70 116.53 2ayx s SER 924 Ca 0.11 -0.22 -0.15 0.00 1.31 0.00 0.00 55.95 57.00 2ayx s SER 924 Cb -0.02 -1.44 0.14 0.00 0.21 0.00 0.00 66.02 64.90 2ayx s SER 924 CO 0.08 -0.06 1.70 0.50 0.41 0.00 0.00 173.24 175.87 2ayx h LYS 925 N 1.43 0.15 -5.59 12.44 3.64 -1.49 -3.38 116.57 123.77 2ayx h LYS 925 Ca -0.49 -0.01 -0.40 0.00 -1.27 0.00 0.00 60.65 58.49 2ayx h LYS 925 Cb 1.24 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 33.03 2ayx h LYS 925 CO 0.61 0.10 1.39 -2.14 -2.27 0.00 0.00 179.45 177.13 2ayx s PRO 926 N -6.17 2.04 -0.06 1.90 0.02 -1.26 -4.92 135.00 126.56 2ayx s PRO 926 Ca -0.13 1.23 0.00 0.00 0.02 0.00 0.00 61.00 62.12 2ayx s PRO 926 Cb 0.14 -4.61 0.02 0.00 0.02 0.00 0.00 34.50 30.08 2ayx s PRO 926 CO 0.72 -3.44 -0.03 0.08 -0.33 0.00 0.00 177.00 174.00 2ayx s VAL 927 N 12.48 0.48 0.71 3.83 1.01 -1.26 -5.12 120.40 132.53 2ayx s VAL 927 Ca 0.95 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.86 2ayx s VAL 927 Cb -0.16 -0.56 0.10 0.00 0.00 0.00 0.00 36.38 35.76 2ayx s VAL 927 CO 0.23 0.24 1.00 0.42 0.00 0.00 0.00 175.10 176.99 2ayx s THR 928 N 1.34 2.27 0.43 3.92 -4.23 -1.26 -4.87 115.64 113.24 2ayx s THR 928 Ca -0.04 -0.43 0.10 0.00 -1.18 0.00 0.00 61.69 60.13 2ayx s THR 928 Cb -0.13 -2.83 0.24 0.00 1.34 0.00 0.00 72.50 71.11 2ayx s THR 928 CO -0.02 0.00 2.04 0.25 -0.54 0.00 0.00 174.62 176.35 2ayx h LEU 929 N -0.57 0.30 -0.37 4.79 7.12 -1.98 0.28 115.31 124.88 2ayx h LEU 929 Ca -0.41 -0.02 -0.17 0.00 0.13 0.00 0.00 57.88 57.40 2ayx h LEU 929 Cb 1.28 -0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 41.33 2ayx h LEU 929 CO 0.48 0.28 -0.51 -2.24 -0.13 0.00 0.00 178.44 176.32 2ayx h ASP 930 N 0.35 0.90 -0.30 1.25 2.03 -1.98 0.15 116.42 118.82 2ayx h ASP 930 Ca 0.09 -0.47 -0.15 0.00 -0.73 0.00 0.00 57.03 55.77 2ayx h ASP 930 Cb 0.07 -0.26 -0.00 0.00 -0.83 0.00 0.00 39.33 38.31 2ayx h ASP 930 CO -0.01 1.24 -0.42 0.58 -1.03 0.00 0.00 179.24 179.61 2ayx h VAL 931 N 0.64 1.29 -0.77 4.15 2.07 -1.77 -1.11 116.25 120.75 2ayx h VAL 931 Ca 0.02 -1.60 -0.02 0.00 0.82 0.00 0.00 66.70 65.93 2ayx h VAL 931 Cb 1.10 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 32.44 2ayx h VAL 931 CO 0.11 0.52 0.41 0.40 0.02 0.00 0.00 177.57 179.03 2ayx h ILE 932 N 0.57 1.23 -0.06 4.57 1.08 -0.88 -2.10 117.51 121.92 2ayx h ILE 932 Ca 0.03 -0.60 -0.01 0.00 -0.39 0.00 0.00 64.86 63.89 2ayx h ILE 932 Cb 1.01 0.23 -0.00 0.00 -3.07 0.00 0.00 36.82 34.99 2ayx h ILE 932 CO 0.10 0.26 -0.01 0.50 -0.69 0.00 0.00 178.15 178.31 2ayx h LYS 933 N 1.06 0.12 -0.13 2.37 3.64 -0.83 -1.21 116.57 121.59 2ayx h LYS 933 Ca 0.27 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.56 2ayx h LYS 933 Cb 0.05 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2ayx h LYS 933 CO -0.04 0.42 -0.13 -0.56 -2.27 0.00 0.00 179.45 176.88 2ayx h GLN 934 N -0.20 0.20 -0.03 1.90 3.07 -1.13 0.42 115.11 119.34 2ayx h GLN 934 Ca 0.02 -0.04 -0.09 0.00 0.09 0.00 0.00 58.65 58.63 2ayx h GLN 934 Cb 0.38 -0.03 0.01 0.00 0.08 0.00 0.00 27.48 27.91 2ayx h GLN 934 CO 0.00 0.34 -0.32 1.15 0.09 0.00 0.00 178.83 180.09 2ayx h THR 935 N 0.19 1.47 -0.54 1.86 2.02 -1.28 -1.51 112.91 115.13 2ayx h THR 935 Ca 0.04 -1.84 -0.03 0.00 0.77 0.00 0.00 66.41 65.34 2ayx h THR 935 Cb 0.35 2.53 -0.02 0.00 -1.74 0.00 0.00 68.15 69.27 2ayx h THR 935 CO 0.02 0.52 0.20 -0.07 0.37 0.00 0.00 175.52 176.56 2ayx h LEU 936 N -0.29 0.76 -0.53 2.58 4.07 -0.92 -1.71 115.31 119.27 2ayx h LEU 936 Ca -0.03 -0.18 -0.09 0.00 0.08 0.00 0.00 57.88 57.65 2ayx h LEU 936 Cb 1.02 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.54 2ayx h LEU 936 CO 0.07 0.73 -0.04 0.74 -1.08 0.00 0.00 178.44 178.86 2ayx h THR 937 N 0.73 1.27 -0.41 0.22 2.02 -1.00 0.75 112.91 116.49 2ayx h THR 937 Ca 0.18 -1.16 0.01 0.00 0.77 0.00 0.00 66.41 66.21 2ayx h THR 937 Cb 0.23 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 2ayx h THR 937 CO -0.01 0.41 0.26 0.25 0.37 0.00 0.00 175.52 176.79 2ayx h LEU 938 N 0.83 0.43 -0.28 2.58 6.46 -1.04 -1.79 115.31 122.50 2ayx h LEU 938 Ca 0.14 -0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.80 2ayx h LEU 938 Cb 0.58 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 2ayx h LEU 938 CO 0.03 0.31 -0.48 1.88 -0.62 0.00 0.00 178.44 179.57 2ayx h TYR 939 N 0.52 0.00 -0.81 1.25 0.05 -1.23 -2.57 116.97 114.19 2ayx h TYR 939 Ca 0.16 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.90 2ayx h TYR 939 Cb -0.03 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.67 2ayx h TYR 939 CO -0.06 0.48 0.35 0.00 -1.05 0.00 0.00 178.16 177.87 2ayx h ALA 940 N 1.52 1.09 -0.14 3.88 0.00 -0.42 0.21 119.26 125.41 2ayx h ALA 940 Ca -0.00 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 2ayx h ALA 940 Cb 1.25 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2ayx h ALA 940 CO 0.06 0.66 -0.55 1.05 0.00 0.00 0.00 179.25 180.47 2ayx h GLU 941 N 1.16 0.43 -0.15 0.00 4.11 -1.19 -0.17 114.58 118.77 2ayx h GLU 941 Ca 0.27 -0.27 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 2ayx h GLU 941 Cb 0.18 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2ayx h GLU 941 CO -0.03 0.87 0.03 -0.09 0.07 0.00 0.00 179.01 179.86 2ayx h ARG 942 N 0.33 0.24 0.00 1.06 2.43 -1.03 -2.62 114.38 114.79 2ayx h ARG 942 Ca 0.00 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.01 2ayx h ARG 942 Cb 1.07 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 2ayx h ARG 942 CO 0.10 0.42 -0.48 -0.39 -1.51 0.00 0.00 179.97 178.10 2ayx h VAL 943 N 0.02 1.19 -0.12 0.20 -1.51 -0.96 -2.28 116.25 112.80 2ayx h VAL 943 Ca 0.04 -1.72 0.03 0.00 -1.23 0.00 0.00 66.70 63.82 2ayx h VAL 943 Cb 0.29 1.97 -0.03 0.00 -2.13 0.00 0.00 31.29 31.39 2ayx h VAL 943 CO 0.00 0.47 -0.07 -0.09 -1.23 0.00 0.00 177.57 176.65 2ayx h ARG 944 N 0.00 -0.06 0.00 5.19 1.12 -0.77 0.47 114.38 120.33 2ayx h ARG 944 Ca -0.00 0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.82 2ayx h ARG 944 Cb 0.93 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.90 2ayx h ARG 944 CO 0.06 -0.04 -0.23 1.57 -3.11 0.00 0.00 179.97 178.22 2ayx h LYS 945 N -0.06 0.00 0.00 0.20 2.10 -1.40 0.11 116.57 117.52 2ayx h LYS 945 Ca 0.07 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.58 2ayx h LYS 945 Cb 0.16 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.47 2ayx h LYS 945 CO -0.16 0.23 -0.67 0.77 -2.00 0.00 0.00 179.45 177.62 2ayx h SER 946 N 0.00 0.00 0.00 7.07 0.02 -0.97 -3.38 113.55 116.28 2ayx h SER 946 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2ayx h SER 946 Cb 1.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.58 2ayx h SER 946 CO 0.03 0.67 -0.67 0.54 -1.14 0.00 0.00 176.83 176.26 2ayx n ARG 947 N -3.72 0.42 -3.06 3.45 3.00 0.12 -4.90 116.66 111.97 2ayx n ARG 947 Ca -0.01 0.31 -0.41 0.00 -0.01 0.00 0.00 57.85 57.73 2ayx n ARG 947 Cb 0.66 -1.40 -0.06 0.00 0.00 0.00 0.00 32.46 31.67 2ayx n ARG 947 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2ayx s ASP 948 N -5.53 6.71 0.00 0.55 2.15 0.38 -5.09 116.67 115.83 2ayx s ASP 948 Ca -0.20 0.87 0.00 0.00 0.43 0.00 0.00 52.55 53.65 2ayx s ASP 948 Cb 0.03 -2.37 0.00 0.00 -0.30 0.00 0.00 42.92 40.28 2ayx s ASP 948 CO 0.29 -0.34 0.00 -1.20 -0.17 0.00 0.00 175.17 173.75