#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ya3 h VAL 739 N 0.00 1.39 -0.06 -1.45 2.07 -2.00 -3.01 116.25 113.19 1ya3 h VAL 739 Ca 0.00 -2.45 -0.01 0.00 0.82 0.00 0.00 66.70 65.06 1ya3 h VAL 739 Cb 0.00 2.43 -0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1ya3 h VAL 739 CO 0.00 0.73 -0.02 -0.03 0.02 0.00 0.00 177.57 178.28 1ya3 h MET 740 N 0.24 0.11 -0.49 1.57 -1.53 -2.02 -2.48 114.93 110.33 1ya3 h MET 740 Ca -0.09 -0.04 0.05 0.00 -3.44 0.00 0.00 59.70 56.18 1ya3 h MET 740 Cb 1.60 -0.01 -0.05 0.00 -0.55 0.00 0.00 31.60 32.60 1ya3 h MET 740 CO 0.17 0.45 0.23 -0.24 0.14 0.00 0.00 176.91 177.67 1ya3 h VAL 741 N -0.24 0.93 -0.44 -5.77 3.04 -2.00 -2.27 116.25 109.50 1ya3 h VAL 741 Ca 0.01 -0.16 0.09 0.00 -1.01 0.00 0.00 66.70 65.64 1ya3 h VAL 741 Cb 0.41 0.43 -0.09 0.00 -2.01 0.00 0.00 31.29 30.04 1ya3 h VAL 741 CO 0.01 0.08 -0.13 -0.07 -1.01 0.00 0.00 177.57 176.45 1ya3 h LEU 742 N 0.46 -0.47 -0.35 3.16 3.38 -1.48 0.45 115.31 120.44 1ya3 h LEU 742 Ca 0.22 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1ya3 h LEU 742 Cb 0.16 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1ya3 h LEU 742 CO -0.17 -0.17 0.00 -0.62 0.09 0.00 0.00 178.44 177.57 1ya3 n GLU 743 N -5.34 0.07 -0.04 1.13 1.02 -0.89 -2.31 120.64 114.27 1ya3 n GLU 743 Ca 0.03 0.40 -0.22 0.00 -0.02 0.00 0.00 57.16 57.35 1ya3 n GLU 743 Cb 0.25 -1.65 -0.13 0.00 -0.02 0.00 0.00 31.44 29.89 1ya3 n GLU 743 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1ya3 n ASN 744 N -1.78 2.05 0.23 1.62 4.05 0.13 -4.29 115.26 117.27 1ya3 n ASN 744 Ca 0.02 0.23 0.07 0.00 0.45 0.00 0.00 54.58 55.35 1ya3 n ASN 744 Cb 0.13 -0.84 0.55 0.00 1.23 0.00 0.00 39.78 40.84 1ya3 n ASN 744 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1ya3 h ILE 745 N -0.22 0.96 -1.04 -1.44 2.04 -0.36 -3.45 117.51 114.00 1ya3 h ILE 745 Ca -0.44 -0.75 -0.69 0.00 1.00 0.00 0.00 64.86 63.99 1ya3 h ILE 745 Cb 1.84 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 39.33 1ya3 h ILE 745 CO -0.02 0.20 1.34 1.21 0.00 0.00 0.00 178.15 180.88 1ya3 n GLU 746 N -4.02 0.99 -0.27 2.37 4.07 -1.11 -4.79 120.64 117.88 1ya3 n GLU 746 Ca -0.02 0.29 -0.29 0.00 -0.06 0.00 0.00 57.16 57.07 1ya3 n GLU 746 Cb 0.28 -2.32 0.28 0.00 -0.06 0.00 0.00 31.44 29.63 1ya3 n GLU 746 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1ya3 n PRO 747 N 7.76 -4.47 -4.41 5.31 -0.02 -1.26 -5.06 135.00 132.85 1ya3 n PRO 747 Ca 0.41 -1.32 -0.26 0.00 -2.02 0.00 0.00 63.50 60.31 1ya3 n PRO 747 Cb 0.19 -1.91 -0.11 0.00 -0.02 0.00 0.00 33.50 31.65 1ya3 n PRO 747 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1ya3 s GLU 748 N -4.87 1.49 0.58 -0.52 1.03 -1.26 -5.12 118.70 110.04 1ya3 s GLU 748 Ca 0.65 -1.53 -0.11 0.00 0.03 0.00 0.00 54.97 54.00 1ya3 s GLU 748 Cb -0.13 -1.74 -0.10 0.00 -0.80 0.00 0.00 34.13 31.36 1ya3 s GLU 748 CO 0.55 0.37 -0.43 0.44 -1.33 0.00 0.00 175.26 174.86 1ya3 n ILE 749 N 0.16 0.00 -3.95 1.83 -6.64 -1.26 -5.03 119.36 104.47 1ya3 n ILE 749 Ca -0.12 -0.32 -0.09 0.00 -1.77 0.00 0.00 62.75 60.45 1ya3 n ILE 749 Cb 0.57 0.00 -0.10 0.00 -1.44 0.00 0.00 39.64 38.67 1ya3 n ILE 749 CO 0.00 0.00 0.00 -0.69 -1.77 0.00 0.00 176.55 174.09 1ya3 s VAL 750 N -1.30 0.14 -0.02 7.28 1.01 -1.26 -5.09 120.40 121.16 1ya3 s VAL 750 Ca 0.28 -1.14 -0.13 0.00 0.00 0.00 0.00 61.98 60.99 1ya3 s VAL 750 Cb -0.16 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 1ya3 s VAL 750 CO 0.52 -0.63 0.35 -0.31 0.00 0.00 0.00 175.10 175.02 1ya3 s TYR 751 N -2.55 3.69 0.00 5.22 1.51 -1.26 -4.08 117.35 119.88 1ya3 s TYR 751 Ca -0.05 0.88 0.00 0.00 -1.01 0.00 0.00 57.07 56.88 1ya3 s TYR 751 Cb -0.02 -2.20 0.00 0.00 -0.11 0.00 0.00 41.96 39.63 1ya3 s TYR 751 CO -0.04 0.66 0.00 0.00 -1.11 0.00 0.00 175.55 175.06 1ya3 n ALA 752 N 1.82 0.00 -3.53 3.71 0.00 -1.26 -4.88 120.51 116.36 1ya3 n ALA 752 Ca -0.15 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.02 1ya3 n ALA 752 Cb 0.53 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.83 1ya3 n ALA 752 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ya3 s ASP 760 N -1.18 3.02 0.20 0.00 1.01 -1.26 -4.42 116.67 114.05 1ya3 s ASP 760 Ca 0.00 -1.07 0.11 0.00 0.71 0.00 0.00 52.55 52.30 1ya3 s ASP 760 Cb 0.00 -0.19 -0.04 0.00 1.01 0.00 0.00 42.92 43.69 1ya3 s ASP 760 CO 0.00 -0.41 -0.22 0.42 0.21 0.00 0.00 175.17 175.17 1ya3 s THR 761 N 2.15 2.24 0.44 -1.27 -4.23 -1.26 -4.97 115.64 108.73 1ya3 s THR 761 Ca 0.08 -2.07 0.23 0.00 -1.18 0.00 0.00 61.69 58.75 1ya3 s THR 761 Cb -0.16 -2.09 0.43 0.00 1.34 0.00 0.00 72.50 72.03 1ya3 s THR 761 CO -0.31 -0.21 1.79 0.00 -0.54 0.00 0.00 174.62 175.35 1ya3 h ALA 762 N 3.06 2.45 -0.11 3.99 0.00 -1.80 0.31 119.26 127.16 1ya3 h ALA 762 Ca -0.44 0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.28 1ya3 h ALA 762 Cb 1.22 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.05 1ya3 h ALA 762 CO 0.51 -0.82 -0.81 1.05 0.00 0.00 0.00 179.25 179.18 1ya3 h GLU 763 N 0.29 0.69 0.04 0.00 9.09 -1.85 -2.99 114.58 119.84 1ya3 h GLU 763 Ca 0.57 -0.59 -0.25 0.00 0.05 0.00 0.00 59.36 59.14 1ya3 h GLU 763 Cb 1.65 0.13 -0.02 0.00 -1.65 0.00 0.00 28.75 28.85 1ya3 h GLU 763 CO -0.21 1.20 -1.28 -0.91 0.05 0.00 0.00 179.01 177.85 1ya3 h ASN 764 N 0.46 0.14 0.41 3.06 -0.26 -1.16 -3.07 115.58 115.15 1ya3 h ASN 764 Ca -0.06 -0.17 -0.02 0.00 -0.56 0.00 0.00 56.30 55.49 1ya3 h ASN 764 Cb 1.43 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 38.65 1ya3 h ASN 764 CO 0.16 1.14 -0.20 -0.07 -1.06 0.00 0.00 177.43 177.40 1ya3 h LEU 765 N 0.02 -0.46 -0.30 1.61 3.38 -0.61 -2.77 115.31 116.19 1ya3 h LEU 765 Ca -0.13 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.76 1ya3 h LEU 765 Cb 1.90 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.74 1ya3 h LEU 765 CO 0.14 -0.16 0.16 -0.07 0.09 0.00 0.00 178.44 178.59 1ya3 h LEU 766 N -0.77 0.25 -1.47 1.67 3.38 -1.68 -1.56 115.31 115.13 1ya3 h LEU 766 Ca -0.06 0.01 0.25 0.00 0.09 0.00 0.00 57.88 58.17 1ya3 h LEU 766 Cb 0.53 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.16 1ya3 h LEU 766 CO 0.09 0.18 0.66 0.28 0.09 0.00 0.00 178.44 179.75 1ya3 h SER 767 N 0.33 0.39 0.13 -0.43 0.02 -1.55 -1.35 113.55 111.10 1ya3 h SER 767 Ca 0.12 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1ya3 h SER 767 Cb 0.02 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1ya3 h SER 767 CO -0.07 0.10 -0.06 0.74 -1.14 0.00 0.00 176.83 176.40 1ya3 h THR 768 N 0.36 0.90 -0.30 -2.27 2.02 -1.00 -2.74 112.91 109.90 1ya3 h THR 768 Ca 0.55 -1.23 0.09 0.00 0.77 0.00 0.00 66.41 66.59 1ya3 h THR 768 Cb 1.46 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 69.40 1ya3 h THR 768 CO -0.23 0.24 0.23 -0.07 0.37 0.00 0.00 175.52 176.06 1ya3 h LEU 769 N -0.87 0.00 -0.29 2.58 3.38 -1.00 0.49 115.31 119.60 1ya3 h LEU 769 Ca -0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1ya3 h LEU 769 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1ya3 h LEU 769 CO 0.03 0.00 -0.20 0.78 0.09 0.00 0.00 178.44 179.14 1ya3 h ASN 770 N 0.00 0.68 -0.01 -0.43 2.35 -1.29 -1.86 115.58 115.02 1ya3 h ASN 770 Ca 0.14 -0.44 -0.00 0.00 -0.55 0.00 0.00 56.30 55.46 1ya3 h ASN 770 Cb 0.60 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 1ya3 h ASN 770 CO -0.00 0.97 0.00 -0.09 -1.65 0.00 0.00 177.43 176.66 1ya3 h ARG 771 N 0.39 0.01 -0.75 0.81 2.43 -0.12 -2.61 114.38 114.54 1ya3 h ARG 771 Ca 0.06 -0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.36 1ya3 h ARG 771 Cb 0.74 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.24 1ya3 h ARG 771 CO 0.05 0.11 0.50 1.25 -1.51 0.00 0.00 179.97 180.38 1ya3 h LEU 772 N -0.09 0.44 -0.25 3.80 5.85 -0.18 -2.60 115.31 122.28 1ya3 h LEU 772 Ca 0.00 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1ya3 h LEU 772 Cb 0.10 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1ya3 h LEU 772 CO -0.00 0.24 -0.10 0.00 -0.34 0.00 0.00 178.44 178.24 1ya3 h ALA 773 N 1.64 0.35 -0.01 1.25 0.00 -0.95 -1.92 119.26 119.63 1ya3 h ALA 773 Ca 0.37 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ya3 h ALA 773 Cb 0.75 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1ya3 h ALA 773 CO -0.12 0.19 0.03 0.78 0.00 0.00 0.00 179.25 180.13 1ya3 h GLY 774 N 0.25 0.00 1.14 0.00 0.00 -1.31 1.24 103.07 104.39 1ya3 h GLY 774 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.06 1ya3 h GLY 774 CO 0.03 0.00 -1.59 0.50 0.00 0.00 0.00 176.54 175.48 1ya3 h LYS 775 N 0.00 0.38 -0.16 4.80 1.79 -1.48 -3.09 116.57 118.81 1ya3 h LYS 775 Ca 0.01 -0.65 -0.19 0.00 -2.18 0.00 0.00 60.65 57.63 1ya3 h LYS 775 Cb 0.07 0.24 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1ya3 h LYS 775 CO -0.00 1.28 -0.68 1.96 -1.08 0.00 0.00 179.45 180.93 1ya3 h GLN 776 N 0.10 0.63 0.00 3.15 4.20 -0.17 -2.84 115.11 120.19 1ya3 h GLN 776 Ca -0.28 -0.47 -0.00 0.00 0.06 0.00 0.00 58.65 57.95 1ya3 h GLN 776 Cb 2.09 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 29.95 1ya3 h GLN 776 CO 0.20 1.09 -0.01 0.52 -0.67 0.00 0.00 178.83 179.96 1ya3 h MET 777 N 0.45 0.00 0.60 1.46 2.86 0.14 0.16 114.93 120.60 1ya3 h MET 777 Ca -0.02 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1ya3 h MET 777 Cb 1.27 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.94 1ya3 h MET 777 CO 0.13 0.01 -0.29 0.82 1.06 0.00 0.00 176.91 178.64 1ya3 h ILE 778 N 0.00 0.18 -0.07 -1.22 2.04 -1.42 -1.97 117.51 115.06 1ya3 h ILE 778 Ca -0.00 -0.37 0.02 0.00 1.00 0.00 0.00 64.86 65.51 1ya3 h ILE 778 Cb 0.02 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 36.35 1ya3 h ILE 778 CO 0.00 0.03 0.08 0.06 0.00 0.00 0.00 178.15 178.32 1ya3 h GLN 779 N -1.12 0.00 -0.21 2.37 3.07 -1.36 0.53 115.11 118.39 1ya3 h GLN 779 Ca -0.08 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.48 1ya3 h GLN 779 Cb 0.66 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.22 1ya3 h GLN 779 CO 0.14 0.00 -0.57 0.28 0.09 0.00 0.00 178.83 178.76 1ya3 h VAL 780 N 0.00 1.31 -0.41 1.86 2.07 -0.79 -2.69 116.25 117.60 1ya3 h VAL 780 Ca 0.03 -1.81 -0.00 0.00 0.82 0.00 0.00 66.70 65.74 1ya3 h VAL 780 Cb 0.19 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1ya3 h VAL 780 CO -0.00 0.57 0.24 0.58 0.02 0.00 0.00 177.57 178.98 1ya3 h VAL 781 N 0.51 1.14 -0.63 2.57 2.07 -0.11 -2.32 116.25 119.47 1ya3 h VAL 781 Ca 0.00 -0.32 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 1ya3 h VAL 781 Cb 1.15 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1ya3 h VAL 781 CO 0.11 0.14 0.10 0.11 0.02 0.00 0.00 177.57 178.06 1ya3 h LYS 782 N 0.53 1.05 -0.44 1.57 6.56 -1.50 -2.64 116.57 121.70 1ya3 h LYS 782 Ca 0.15 -0.28 -0.02 0.00 -1.06 0.00 0.00 60.65 59.43 1ya3 h LYS 782 Cb 0.01 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 31.53 1ya3 h LYS 782 CO -0.03 0.97 0.18 2.35 -2.06 0.00 0.00 179.45 180.87 1ya3 h TRP 783 N 0.96 0.67 -0.05 -1.35 7.01 -1.35 -3.01 115.95 118.83 1ya3 h TRP 783 Ca 0.19 -0.05 -0.15 0.00 2.11 0.00 0.00 58.89 61.00 1ya3 h TRP 783 Cb 0.43 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.28 1ya3 h TRP 783 CO 0.03 0.58 -0.62 0.00 -2.79 0.00 0.00 178.44 175.64 1ya3 h ALA 784 N 1.03 0.86 -0.11 2.65 0.00 -1.43 -3.15 119.26 119.09 1ya3 h ALA 784 Ca 0.15 -0.56 0.03 0.00 0.00 0.00 0.00 54.91 54.53 1ya3 h ALA 784 Cb 0.19 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ya3 h ALA 784 CO -0.01 0.75 0.10 1.57 0.00 0.00 0.00 179.25 181.65 1ya3 h LYS 785 N 0.14 0.00 -0.31 0.00 5.09 -1.33 -0.02 116.57 120.14 1ya3 h LYS 785 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.73 1ya3 h LYS 785 Cb 1.13 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.46 1ya3 h LYS 785 CO 0.09 0.00 0.00 1.33 -2.09 0.00 0.00 179.45 178.78 1ya3 n VAL 786 N -4.12 1.92 -2.74 0.07 0.24 -1.20 -4.71 118.33 107.77 1ya3 n VAL 786 Ca -0.00 -1.58 -0.42 0.00 -2.04 0.00 0.00 64.34 60.30 1ya3 n VAL 786 Cb 0.21 -0.02 -0.04 0.00 -1.47 0.00 0.00 33.84 32.52 1ya3 n VAL 786 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1ya3 s LEU 787 N -2.26 4.40 0.02 1.34 2.96 -0.02 -4.98 118.68 120.14 1ya3 s LEU 787 Ca 0.37 1.66 -0.32 0.00 -0.22 0.00 0.00 54.13 55.63 1ya3 s LEU 787 Cb 0.28 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 43.32 1ya3 s LEU 787 CO 0.12 -0.19 1.88 -2.65 -1.32 0.00 0.00 176.35 174.19 1ya3 n PRO 788 N 3.57 2.56 0.00 0.98 -0.02 -1.26 -1.78 135.00 139.05 1ya3 n PRO 788 Ca 0.04 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 1ya3 n PRO 788 Cb 0.51 -2.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 1ya3 n PRO 788 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ya3 n GLY 789 N 4.35 2.01 0.29 -1.23 0.00 -1.26 -4.67 105.19 104.68 1ya3 n GLY 789 Ca 0.20 -0.27 0.02 0.00 0.00 0.00 0.00 46.02 45.97 1ya3 n GLY 789 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ya3 h PHE 790 N 0.00 0.77 0.00 1.61 3.57 -1.90 -0.60 116.94 120.39 1ya3 h PHE 790 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1ya3 h PHE 790 Cb 0.00 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.51 1ya3 h PHE 790 CO 0.00 0.31 0.00 0.36 -2.23 0.00 0.00 178.31 176.75 1ya3 n LYS 791 N -4.79 0.02 0.03 1.11 2.85 -0.73 -2.32 118.16 114.33 1ya3 n LYS 791 Ca 0.12 0.30 0.02 0.00 -1.05 0.00 0.00 58.31 57.71 1ya3 n LYS 791 Cb 0.27 -1.50 -0.09 0.00 -0.65 0.00 0.00 35.03 33.06 1ya3 n LYS 791 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1ya3 n ASN 792 N -1.47 0.68 -4.73 -5.58 3.02 -0.24 -4.92 115.26 102.03 1ya3 n ASN 792 Ca 0.03 0.29 -0.33 0.00 -0.03 0.00 0.00 54.58 54.53 1ya3 n ASN 792 Cb 0.11 0.51 0.09 0.00 -0.61 0.00 0.00 39.78 39.89 1ya3 n ASN 792 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ya3 s LEU 793 N -5.53 3.26 0.89 3.41 1.43 -0.98 -4.93 118.68 116.23 1ya3 s LEU 793 Ca -0.04 2.25 -0.13 0.00 -1.03 0.00 0.00 54.13 55.19 1ya3 s LEU 793 Cb 0.09 -4.58 0.06 0.00 0.03 0.00 0.00 46.19 41.80 1ya3 s LEU 793 CO 0.82 -2.24 0.75 -0.81 0.23 0.00 0.00 176.35 175.10 1ya3 n PRO 794 N -2.89 -0.18 0.21 1.29 -0.04 -1.26 -4.71 135.00 127.43 1ya3 n PRO 794 Ca 0.12 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.65 1ya3 n PRO 794 Cb 0.51 -2.09 0.48 0.00 -0.04 0.00 0.00 33.50 32.35 1ya3 n PRO 794 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1ya3 h LEU 795 N -1.39 0.00 -0.01 1.53 6.46 -1.94 -1.69 115.31 118.26 1ya3 h LEU 795 Ca -0.44 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.32 1ya3 h LEU 795 Cb 1.29 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.22 1ya3 h LEU 795 CO 0.39 0.27 0.01 -0.08 -0.62 0.00 0.00 178.44 178.40 1ya3 h GLU 796 N 0.00 0.02 -0.66 1.25 4.57 -2.00 -2.08 114.58 115.68 1ya3 h GLU 796 Ca -0.00 -0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 1ya3 h GLU 796 Cb 0.52 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.08 1ya3 h GLU 796 CO 0.03 0.09 0.11 -0.44 -1.18 0.00 0.00 179.01 177.63 1ya3 h ASP 797 N -0.06 1.04 -0.64 1.04 5.19 -1.83 -1.33 116.42 119.83 1ya3 h ASP 797 Ca 0.00 -0.26 0.06 0.00 -0.62 0.00 0.00 57.03 56.22 1ya3 h ASP 797 Cb 0.08 -0.28 -0.06 0.00 0.18 0.00 0.00 39.33 39.26 1ya3 h ASP 797 CO -0.00 1.03 0.34 1.56 -3.12 0.00 0.00 179.24 179.05 1ya3 h GLN 798 N 1.00 0.61 -0.04 3.56 4.20 -1.13 -1.36 115.11 121.95 1ya3 h GLN 798 Ca 0.20 -0.04 -0.22 0.00 0.06 0.00 0.00 58.65 58.65 1ya3 h GLN 798 Cb 0.43 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1ya3 h GLN 798 CO 0.01 0.41 -0.87 0.82 -0.67 0.00 0.00 178.83 178.52 1ya3 h ILE 799 N 0.63 1.37 -0.71 2.54 2.04 -1.18 -2.84 117.51 119.35 1ya3 h ILE 799 Ca 0.29 -2.28 -0.02 0.00 1.00 0.00 0.00 64.86 63.85 1ya3 h ILE 799 Cb 0.20 2.27 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 1ya3 h ILE 799 CO -0.19 0.69 0.38 0.74 0.00 0.00 0.00 178.15 179.76 1ya3 h THR 800 N 0.30 1.22 -0.37 -0.27 2.02 -0.91 -1.87 112.91 113.03 1ya3 h THR 800 Ca -0.07 -0.56 -0.07 0.00 0.77 0.00 0.00 66.41 66.48 1ya3 h THR 800 Cb 1.49 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 1ya3 h THR 800 CO 0.16 0.25 -0.03 -0.07 0.37 0.00 0.00 175.52 176.20 1ya3 h LEU 801 N 1.00 0.66 -1.27 2.58 -0.00 -1.20 -2.50 115.31 114.57 1ya3 h LEU 801 Ca 0.25 -0.33 -0.05 0.00 -0.00 0.00 0.00 57.88 57.76 1ya3 h LEU 801 Cb 0.05 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 40.51 1ya3 h LEU 801 CO -0.04 0.83 -0.01 0.40 -0.00 0.00 0.00 178.44 179.62 1ya3 h ILE 802 N 0.48 1.19 0.01 1.22 2.04 -1.22 -1.63 117.51 119.60 1ya3 h ILE 802 Ca 0.10 -0.76 -0.19 0.00 1.00 0.00 0.00 64.86 65.02 1ya3 h ILE 802 Cb 0.51 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1ya3 h ILE 802 CO 0.02 0.26 -0.89 1.56 0.00 0.00 0.00 178.15 179.10 1ya3 h GLN 803 N 0.46 0.04 0.00 2.37 4.20 -1.28 0.75 115.11 121.64 1ya3 h GLN 803 Ca 0.10 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1ya3 h GLN 803 Cb 0.32 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1ya3 h GLN 803 CO 0.01 0.90 -0.00 1.88 -0.67 0.00 0.00 178.83 180.95 1ya3 h TYR 804 N 0.02 0.00 0.00 2.96 0.99 -1.14 -3.36 116.97 116.45 1ya3 h TYR 804 Ca -0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1ya3 h TYR 804 Cb 1.56 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.29 1ya3 h TYR 804 CO 0.01 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 177.04 1ya3 n SER 805 N -2.65 1.03 -0.24 3.88 3.41 -0.64 -4.83 113.62 113.57 1ya3 n SER 805 Ca 0.05 -1.20 -0.07 0.00 -0.26 0.00 0.00 58.87 57.38 1ya3 n SER 805 Cb 0.48 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 1ya3 n SER 805 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 1ya3 h TRP 806 N 0.00 -1.26 -0.94 7.33 5.08 -0.99 -0.12 115.95 125.04 1ya3 h TRP 806 Ca 0.00 0.09 0.21 0.00 1.08 0.00 0.00 58.89 60.27 1ya3 h TRP 806 Cb 0.21 0.64 -0.08 0.00 -3.00 0.00 0.00 29.16 26.94 1ya3 h TRP 806 CO 0.00 -0.41 0.61 1.98 -1.28 0.00 0.00 178.44 179.34 1ya3 h MET 807 N -0.17 0.45 -0.03 0.12 4.05 -1.88 -1.46 114.93 116.01 1ya3 h MET 807 Ca 0.21 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.60 1ya3 h MET 807 Cb 0.56 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.25 1ya3 h MET 807 CO -0.74 0.30 0.01 0.00 0.23 0.00 0.00 176.91 176.71 1ya3 h LEU 809 N -0.11 -0.09 -1.07 0.00 3.38 -0.94 -0.44 115.31 116.03 1ya3 h LEU 809 Ca 0.01 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1ya3 h LEU 809 Cb 0.16 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1ya3 h LEU 809 CO -0.00 -0.03 -0.44 -0.07 0.09 0.00 0.00 178.44 177.98 1ya3 h LEU 810 N 0.00 0.04 0.31 1.67 3.38 -1.50 0.39 115.31 119.60 1ya3 h LEU 810 Ca 0.05 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1ya3 h LEU 810 Cb 0.07 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1ya3 h LEU 810 CO -0.11 0.48 -0.15 -1.28 0.09 0.00 0.00 178.44 177.48 1ya3 h SER 811 N 0.03 -0.35 -0.75 -0.43 0.87 -1.31 0.84 113.55 112.45 1ya3 h SER 811 Ca -0.00 -0.16 0.14 0.00 -1.23 0.00 0.00 61.79 60.53 1ya3 h SER 811 Cb 0.80 0.09 -0.09 0.00 -0.44 0.00 0.00 62.40 62.76 1ya3 h SER 811 CO 0.06 0.12 0.31 0.15 -0.53 0.00 0.00 176.83 176.93 1ya3 h PHE 812 N -0.97 0.53 -0.28 2.24 3.57 -1.07 0.10 116.94 121.06 1ya3 h PHE 812 Ca -0.04 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1ya3 h PHE 812 Cb 0.49 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1ya3 h PHE 812 CO 0.04 0.08 0.18 0.00 -2.23 0.00 0.00 178.31 176.38 1ya3 h ALA 813 N 1.54 0.36 -0.70 2.41 0.00 -0.90 -0.38 119.26 121.59 1ya3 h ALA 813 Ca 0.41 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.40 1ya3 h ALA 813 Cb 0.60 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 1ya3 h ALA 813 CO -0.39 -0.16 0.30 1.25 0.00 0.00 0.00 179.25 180.25 1ya3 h LEU 814 N 0.37 0.33 -0.25 0.00 5.85 0.15 -0.27 115.31 121.49 1ya3 h LEU 814 Ca 0.10 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1ya3 h LEU 814 Cb -0.02 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1ya3 h LEU 814 CO -0.02 0.17 0.06 0.28 -0.34 0.00 0.00 178.44 178.59 1ya3 h SER 815 N 0.49 0.37 -0.62 1.25 0.02 -0.24 -1.25 113.55 113.57 1ya3 h SER 815 Ca 0.36 -0.23 0.08 0.00 -0.84 0.00 0.00 61.79 61.16 1ya3 h SER 815 Cb 0.47 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.85 1ya3 h SER 815 CO -0.33 0.50 0.29 -0.25 -1.14 0.00 0.00 176.83 175.90 1ya3 h TRP 816 N 0.22 0.51 -0.03 3.45 2.91 -0.26 -0.75 115.95 122.01 1ya3 h TRP 816 Ca 0.08 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.12 1ya3 h TRP 816 Cb 0.28 -0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 28.79 1ya3 h TRP 816 CO 0.01 0.19 0.01 0.00 -1.03 0.00 0.00 178.44 177.62 1ya3 h ARG 817 N 0.51 0.04 -0.56 2.65 3.08 -0.76 -1.77 114.38 117.57 1ya3 h ARG 817 Ca 0.30 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.41 1ya3 h ARG 817 Cb 0.31 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.29 1ya3 h ARG 817 CO -0.25 0.16 0.25 0.77 -1.07 0.00 0.00 179.97 179.83 1ya3 h SER 818 N -0.09 0.32 0.20 7.04 0.02 -0.89 -0.40 113.55 119.75 1ya3 h SER 818 Ca 0.01 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1ya3 h SER 818 Cb 0.14 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 1ya3 h SER 818 CO -0.00 0.21 -0.29 0.22 -1.14 0.00 0.00 176.83 175.82 1ya3 h TYR 819 N 0.47 -0.79 0.00 3.45 -0.00 -1.02 -1.47 116.97 117.61 1ya3 h TYR 819 Ca 0.27 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 59.01 1ya3 h TYR 819 Cb 0.25 0.32 0.00 0.00 -0.00 0.00 0.00 36.73 37.30 1ya3 h TYR 819 CO -0.13 -0.41 0.00 1.63 -0.00 0.00 0.00 178.16 179.25 1ya3 n LYS 820 N -5.41 0.12 0.00 1.82 5.02 -0.68 -2.13 118.16 116.91 1ya3 n LYS 820 Ca -0.08 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1ya3 n LYS 820 Cb 0.31 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 1ya3 n LYS 820 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1ya3 n HIS 821 N -1.41 0.00 -1.86 2.13 8.25 -0.20 -4.82 115.22 117.30 1ya3 n HIS 821 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1ya3 n HIS 821 Cb 0.20 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.31 1ya3 n HIS 821 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1ya3 n THR 822 N -1.02 0.00 -3.69 1.59 -2.24 -0.60 -4.99 114.28 103.33 1ya3 n THR 822 Ca 0.00 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.51 1ya3 n THR 822 Cb 0.00 0.40 0.03 0.00 -2.10 0.00 0.00 70.33 68.67 1ya3 n THR 822 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ya3 n ASN 823 N 0.00 -5.12 -3.38 3.42 3.02 -0.90 -1.50 115.26 110.80 1ya3 n ASN 823 Ca 0.00 -0.63 -0.25 0.00 -0.03 0.00 0.00 54.58 53.67 1ya3 n ASN 823 Cb 0.61 -4.09 0.03 0.00 -0.61 0.00 0.00 39.78 35.72 1ya3 n ASN 823 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ya3 n SER 824 N -2.75 -5.36 -0.31 6.41 7.64 -0.93 -4.86 113.62 113.45 1ya3 n SER 824 Ca 0.01 -0.45 0.08 0.00 1.01 0.00 0.00 58.87 59.52 1ya3 n SER 824 Cb 0.54 -4.32 -0.02 0.00 -1.01 0.00 0.00 64.21 59.41 1ya3 n SER 824 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ya3 n GLN 825 N -4.27 1.68 -3.74 1.43 6.02 -0.56 -4.73 117.38 113.21 1ya3 n GLN 825 Ca -0.04 -0.69 -0.10 0.00 -0.01 0.00 0.00 57.00 56.17 1ya3 n GLN 825 Cb 0.57 -1.28 -0.05 0.00 1.02 0.00 0.00 30.24 30.50 1ya3 n GLN 825 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1ya3 s PHE 826 N -2.02 -0.03 -0.37 1.08 0.08 -1.26 -4.97 117.98 110.48 1ya3 s PHE 826 Ca 0.12 -0.33 -0.18 0.00 0.12 0.00 0.00 56.93 56.67 1ya3 s PHE 826 Cb 0.13 0.15 0.00 0.00 -0.57 0.00 0.00 43.02 42.73 1ya3 s PHE 826 CO 0.45 -0.68 0.50 -0.51 -0.10 0.00 0.00 175.22 174.88 1ya3 s LEU 827 N -2.85 4.45 -1.16 -0.37 1.43 -1.15 -4.69 118.68 114.35 1ya3 s LEU 827 Ca 0.06 -0.18 -0.08 0.00 -1.03 0.00 0.00 54.13 52.90 1ya3 s LEU 827 Cb 0.03 -2.55 0.25 0.00 0.03 0.00 0.00 46.19 43.95 1ya3 s LEU 827 CO -0.09 -0.52 1.51 0.00 0.23 0.00 0.00 176.35 177.47 1ya3 n TYR 828 N 5.75 3.39 -0.01 0.29 4.19 -1.26 -0.60 117.16 128.91 1ya3 n TYR 828 Ca -0.05 -3.00 0.02 0.00 3.31 0.00 0.00 57.90 58.17 1ya3 n TYR 828 Cb 0.49 -1.64 0.35 0.00 0.49 0.00 0.00 39.34 39.02 1ya3 n TYR 828 CO 0.00 0.00 0.00 0.74 0.91 0.00 0.00 176.86 178.51 1ya3 h PHE 829 N 5.97 0.54 -2.00 2.98 -1.00 -1.80 -3.40 116.94 118.22 1ya3 h PHE 829 Ca 0.26 -0.02 0.14 0.00 2.81 0.00 0.00 57.97 61.16 1ya3 h PHE 829 Cb 0.70 -0.17 -0.17 0.00 3.61 0.00 0.00 35.95 39.92 1ya3 h PHE 829 CO 1.03 0.45 0.58 0.00 -1.61 0.00 0.00 178.31 178.76 1ya3 s ALA 830 N -5.22 -1.90 0.43 2.45 0.00 -1.01 -4.93 121.76 111.58 1ya3 s ALA 830 Ca -0.08 1.22 0.18 0.00 0.00 0.00 0.00 51.96 53.28 1ya3 s ALA 830 Cb 0.16 0.16 1.10 0.00 0.00 0.00 0.00 23.12 24.55 1ya3 s ALA 830 CO 0.75 -0.63 1.88 -1.35 0.00 0.00 0.00 175.76 176.41 1ya3 h PRO 831 N 2.05 0.37 0.00 0.00 0.11 -1.89 0.05 132.00 132.70 1ya3 h PRO 831 Ca -0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1ya3 h PRO 831 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1ya3 h PRO 831 CO 0.29 0.24 -0.64 -0.40 -0.21 0.00 0.00 178.00 177.29 1ya3 n ASP 832 N -4.48 0.59 -3.63 -2.05 3.85 -1.26 -4.71 116.55 104.85 1ya3 n ASP 832 Ca 0.18 -0.28 -0.29 0.00 -0.71 0.00 0.00 54.79 53.68 1ya3 n ASP 832 Cb 0.66 0.39 -0.13 0.00 -1.35 0.00 0.00 41.12 40.69 1ya3 n ASP 832 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 1ya3 s LEU 833 N -3.26 2.03 -0.26 -2.12 2.96 0.01 -5.01 118.68 113.02 1ya3 s LEU 833 Ca 0.09 -2.35 -0.02 0.00 -0.22 0.00 0.00 54.13 51.64 1ya3 s LEU 833 Cb 0.16 -0.79 0.03 0.00 0.50 0.00 0.00 46.19 46.09 1ya3 s LEU 833 CO 0.73 -0.30 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.73 1ya3 s VAL 834 N 0.76 2.92 0.20 1.68 1.01 -1.25 -2.41 120.40 123.30 1ya3 s VAL 834 Ca 0.17 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 60.73 1ya3 s VAL 834 Cb -0.23 -2.53 -0.09 0.00 0.00 0.00 0.00 36.38 33.53 1ya3 s VAL 834 CO -0.03 0.12 1.29 -0.36 0.00 0.00 0.00 175.10 176.12 1ya3 s PHE 835 N 1.31 3.28 0.58 5.22 0.40 0.23 -4.90 117.98 124.11 1ya3 s PHE 835 Ca -0.01 1.26 0.04 0.00 -0.60 0.00 0.00 56.93 57.62 1ya3 s PHE 835 Cb -0.17 -3.57 0.11 0.00 0.51 0.00 0.00 43.02 39.89 1ya3 s PHE 835 CO -0.03 -1.76 0.81 -1.71 0.70 0.00 0.00 175.22 173.22 1ya3 n ASN 836 N 2.60 1.57 0.05 1.36 2.85 -1.26 -2.94 115.26 119.48 1ya3 n ASN 836 Ca 0.06 -2.21 -0.01 0.00 -0.11 0.00 0.00 54.58 52.31 1ya3 n ASN 836 Cb 0.43 -0.48 0.28 0.00 1.24 0.00 0.00 39.78 41.26 1ya3 n ASN 836 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1ya3 h GLU 837 N 0.00 0.38 -0.08 1.20 3.07 -1.97 -3.04 114.58 114.15 1ya3 h GLU 837 Ca -0.27 -0.12 -0.15 0.00 -0.50 0.00 0.00 59.36 58.33 1ya3 h GLU 837 Cb 1.11 -0.04 0.01 0.00 -0.84 0.00 0.00 28.75 28.99 1ya3 h GLU 837 CO 0.33 0.55 -0.53 0.93 -1.40 0.00 0.00 179.01 178.90 1ya3 h GLU 838 N 0.35 0.50 -0.61 2.33 3.07 -2.00 -3.28 114.58 114.95 1ya3 h GLU 838 Ca 0.06 -0.43 -0.01 0.00 -0.50 0.00 0.00 59.36 58.48 1ya3 h GLU 838 Cb 0.52 0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.50 1ya3 h GLU 838 CO 0.03 1.07 0.33 0.87 -1.40 0.00 0.00 179.01 179.91 1ya3 h LYS 839 N 0.08 0.83 -1.00 2.33 1.57 -1.92 0.29 116.57 118.75 1ya3 h LYS 839 Ca -0.04 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1ya3 h LYS 839 Cb 1.19 -0.17 -0.06 0.00 0.08 0.00 0.00 32.23 33.27 1ya3 h LYS 839 CO 0.11 0.61 0.66 0.52 -0.57 0.00 0.00 179.45 180.78 1ya3 h MET 840 N 0.84 1.24 0.21 3.15 2.86 -1.62 0.61 114.93 122.22 1ya3 h MET 840 Ca 0.22 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 1ya3 h MET 840 Cb 0.02 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 31.40 1ya3 h MET 840 CO -0.04 0.82 -0.10 0.45 1.06 0.00 0.00 176.91 179.11 1ya3 h HIS 841 N 1.28 -0.26 0.00 -0.22 3.86 -1.26 -2.70 115.15 115.86 1ya3 h HIS 841 Ca 0.39 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.60 1ya3 h HIS 841 Cb -0.02 0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1ya3 h HIS 841 CO -0.00 0.01 0.00 1.04 0.86 0.00 0.00 177.93 179.84 1ya3 n GLN 842 N -5.11 0.15 0.22 2.45 1.13 -0.04 -1.16 117.38 115.01 1ya3 n GLN 842 Ca -0.09 0.53 0.14 0.00 -1.94 0.00 0.00 57.00 55.64 1ya3 n GLN 842 Cb 0.21 -1.88 0.42 0.00 0.11 0.00 0.00 30.24 29.10 1ya3 n GLN 842 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1ya3 h SER 843 N 0.00 0.00 -0.00 1.08 4.64 0.48 -2.90 113.55 116.85 1ya3 h SER 843 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ya3 h SER 843 Cb 0.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1ya3 h SER 843 CO 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1ya3 n ALA 844 N -2.02 -0.00 -0.11 5.18 0.00 -0.31 -4.72 120.51 118.53 1ya3 n ALA 844 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.50 1ya3 n ALA 844 Cb 0.40 -0.88 0.10 0.00 0.00 0.00 0.00 19.45 19.07 1ya3 n ALA 844 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1ya3 n MET 845 N -0.66 2.85 -0.27 0.00 0.00 -1.25 -4.97 117.12 112.83 1ya3 n MET 845 Ca -0.00 -1.84 0.08 0.00 0.00 0.00 0.00 57.70 55.94 1ya3 n MET 845 Cb 0.29 -1.17 0.16 0.00 0.00 0.00 0.00 33.22 32.50 1ya3 n MET 845 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 175.97 176.95 1ya3 n TYR 846 N 0.17 0.37 0.64 1.12 4.19 -1.04 -1.59 117.16 121.02 1ya3 n TYR 846 Ca 0.07 0.92 0.13 0.00 3.31 0.00 0.00 57.90 62.33 1ya3 n TYR 846 Cb 0.36 -1.00 0.38 0.00 0.49 0.00 0.00 39.34 39.57 1ya3 n TYR 846 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 1ya3 n GLU 847 N -5.15 0.25 0.08 2.98 1.02 -1.26 -0.14 120.64 118.42 1ya3 n GLU 847 Ca 0.15 0.18 -0.15 0.00 -0.02 0.00 0.00 57.16 57.32 1ya3 n GLU 847 Cb 0.48 -1.77 -0.07 0.00 -0.02 0.00 0.00 31.44 30.06 1ya3 n GLU 847 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1ya3 h LEU 848 N 0.00 0.53 -0.20 -4.62 3.38 -1.72 0.76 115.31 113.45 1ya3 h LEU 848 Ca 0.00 -0.46 -0.22 0.00 0.09 0.00 0.00 57.88 57.29 1ya3 h LEU 848 Cb 0.72 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.32 1ya3 h LEU 848 CO 0.00 1.28 -0.83 0.00 0.09 0.00 0.00 178.44 178.98 1ya3 h GLN 850 N 0.42 0.96 -0.59 0.00 1.08 -0.50 -0.44 115.11 116.04 1ya3 h GLN 850 Ca -0.06 -0.27 -0.05 0.00 -1.45 0.00 0.00 58.65 56.82 1ya3 h GLN 850 Cb 1.45 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 28.75 1ya3 h GLN 850 CO 0.16 0.93 0.17 0.78 -0.95 0.00 0.00 178.83 179.92 1ya3 h GLY 851 N 0.85 0.95 1.63 3.46 0.00 -0.71 -1.15 103.07 108.10 1ya3 h GLY 851 Ca 0.17 -0.54 -0.20 0.00 0.00 0.00 0.00 47.33 46.76 1ya3 h GLY 851 CO 0.02 0.50 -0.83 -0.33 0.00 0.00 0.00 176.54 175.89 1ya3 h MET 852 N 0.86 0.35 -0.56 4.80 2.86 -1.12 -2.92 114.93 119.20 1ya3 h MET 852 Ca 0.19 -0.33 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 1ya3 h MET 852 Cb 0.27 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 1ya3 h MET 852 CO -0.01 1.00 0.25 1.25 1.06 0.00 0.00 176.91 180.47 1ya3 h HIS 853 N 0.21 0.78 -0.55 -0.22 6.17 -0.75 -1.97 115.15 118.83 1ya3 h HIS 853 Ca -0.05 -0.03 -0.04 0.00 0.71 0.00 0.00 60.37 60.96 1ya3 h HIS 853 Cb 1.44 -0.25 -0.02 0.00 2.52 0.00 0.00 27.41 31.10 1ya3 h HIS 853 CO 0.04 0.59 0.18 1.96 0.71 0.00 0.00 177.93 181.41 1ya3 h GLN 854 N 0.79 0.86 -0.93 5.26 1.08 -1.07 -0.42 115.11 120.68 1ya3 h GLN 854 Ca 0.19 -0.18 0.03 0.00 -1.45 0.00 0.00 58.65 57.24 1ya3 h GLN 854 Cb 0.11 -0.13 -0.05 0.00 -0.05 0.00 0.00 27.48 27.37 1ya3 h GLN 854 CO -0.02 0.78 0.61 0.82 -0.95 0.00 0.00 178.83 180.07 1ya3 h ILE 855 N 0.77 1.19 -0.95 2.54 1.08 -1.27 -0.97 117.51 119.90 1ya3 h ILE 855 Ca 0.18 -0.41 0.03 0.00 -0.39 0.00 0.00 64.86 64.27 1ya3 h ILE 855 Cb 0.28 -0.12 -0.06 0.00 -3.07 0.00 0.00 36.82 33.85 1ya3 h ILE 855 CO -0.01 0.22 0.62 -1.28 -0.69 0.00 0.00 178.15 177.02 1ya3 h SER 856 N 1.21 1.04 0.47 1.72 0.87 -0.61 -1.35 113.55 116.89 1ya3 h SER 856 Ca 0.36 -0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.83 1ya3 h SER 856 Cb -0.05 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.66 1ya3 h SER 856 CO -0.10 0.71 -0.37 -0.07 -0.53 0.00 0.00 176.83 176.47 1ya3 h LEU 857 N 1.21 0.00 -0.61 2.23 3.38 0.20 -1.49 115.31 120.22 1ya3 h LEU 857 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1ya3 h LEU 857 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1ya3 h LEU 857 CO -0.12 0.37 0.00 1.56 0.09 0.00 0.00 178.44 180.34 1ya3 h GLN 858 N 0.00 0.00 0.20 1.13 4.20 -0.38 -1.46 115.11 118.80 1ya3 h GLN 858 Ca -0.00 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.39 1ya3 h GLN 858 Cb 0.70 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.50 1ya3 h GLN 858 CO 0.05 0.00 -1.45 0.74 -0.67 0.00 0.00 178.83 177.49 1ya3 h PHE 859 N 0.00 0.77 -0.09 2.96 -1.00 -0.91 -2.22 116.94 116.45 1ya3 h PHE 859 Ca 0.00 -0.56 -0.16 0.00 2.81 0.00 0.00 57.97 60.06 1ya3 h PHE 859 Cb 0.54 -0.03 0.01 0.00 3.61 0.00 0.00 35.95 40.08 1ya3 h PHE 859 CO 0.00 1.48 -0.56 0.28 -1.61 0.00 0.00 178.31 177.90 1ya3 h VAL 860 N 0.12 1.36 0.00 -0.55 2.07 -1.30 -1.30 116.25 116.64 1ya3 h VAL 860 Ca -0.23 -1.89 -0.06 0.00 0.82 0.00 0.00 66.70 65.34 1ya3 h VAL 860 Cb 2.10 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 34.09 1ya3 h VAL 860 CO 0.24 0.57 -0.29 0.03 0.02 0.00 0.00 177.57 178.14 1ya3 h ARG 861 N 0.15 0.00 0.00 1.57 3.08 -1.38 -3.07 114.38 114.72 1ya3 h ARG 861 Ca -0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1ya3 h ARG 861 Cb 1.22 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.27 1ya3 h ARG 861 CO 0.12 0.29 -1.38 1.28 -1.07 0.00 0.00 179.97 179.20 1ya3 n LEU 862 N -3.61 0.53 -2.94 3.04 4.77 -0.83 -4.97 117.00 112.98 1ya3 n LEU 862 Ca -0.01 0.20 -0.15 0.00 -0.03 0.00 0.00 56.01 56.02 1ya3 n LEU 862 Cb 0.41 -0.04 0.07 0.00 -2.33 0.00 0.00 43.42 41.54 1ya3 n LEU 862 CO 0.35 -0.12 0.13 0.00 -1.33 0.00 0.00 177.39 176.42 1ya3 n GLN 863 N -2.52 -5.64 -1.75 3.23 1.13 -0.52 -4.91 117.38 106.40 1ya3 n GLN 863 Ca -0.02 0.67 -0.42 0.00 -1.94 0.00 0.00 57.00 55.30 1ya3 n GLN 863 Cb 0.56 -5.18 -0.01 0.00 0.11 0.00 0.00 30.24 25.72 1ya3 n GLN 863 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1ya3 n LEU 864 N -3.69 4.46 -4.97 1.08 -0.00 -1.05 -4.99 117.00 107.82 1ya3 n LEU 864 Ca -0.15 1.20 -0.18 0.00 -0.00 0.00 0.00 56.01 56.88 1ya3 n LEU 864 Cb 0.60 -1.59 -0.00 0.00 -0.00 0.00 0.00 43.42 42.43 1ya3 n LEU 864 CO 0.50 0.07 0.11 0.42 -0.00 0.00 0.00 177.39 178.48 1ya3 s THR 865 N -0.70 2.91 0.36 1.96 -4.23 -1.26 -4.97 115.64 109.70 1ya3 s THR 865 Ca 0.58 -1.10 0.14 0.00 -1.18 0.00 0.00 61.69 60.13 1ya3 s THR 865 Cb -0.50 -3.00 0.11 0.00 1.34 0.00 0.00 72.50 70.44 1ya3 s THR 865 CO 0.58 -0.00 1.83 0.15 -0.54 0.00 0.00 174.62 176.64 1ya3 h PHE 866 N 0.75 0.00 -0.16 3.99 3.57 -1.99 -1.06 116.94 122.05 1ya3 h PHE 866 Ca -0.40 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.02 1ya3 h PHE 866 Cb 1.28 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.01 1ya3 h PHE 866 CO 0.43 0.36 -0.18 0.93 -2.23 0.00 0.00 178.31 177.62 1ya3 h GLU 867 N 0.00 0.40 -0.40 1.11 5.08 -1.98 -2.54 114.58 116.25 1ya3 h GLU 867 Ca -0.00 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.06 1ya3 h GLU 867 Cb 0.66 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1ya3 h GLU 867 CO 0.05 0.79 -0.04 0.93 -1.00 0.00 0.00 179.01 179.73 1ya3 h GLU 868 N 0.04 0.74 -0.16 2.33 5.08 -1.91 -3.06 114.58 117.63 1ya3 h GLU 868 Ca 0.02 -0.26 0.05 0.00 -1.00 0.00 0.00 59.36 58.18 1ya3 h GLU 868 Cb 0.72 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.86 1ya3 h GLU 868 CO 0.04 0.85 -0.23 -0.92 -1.00 0.00 0.00 179.01 177.75 1ya3 h TYR 869 N 0.56 -0.61 0.00 4.33 3.20 -1.20 -1.01 116.97 122.23 1ya3 h TYR 869 Ca 0.11 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 1ya3 h TYR 869 Cb 0.54 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 1ya3 h TYR 869 CO 0.04 -0.31 -0.31 1.79 -1.64 0.00 0.00 178.16 177.73 1ya3 h THR 870 N -0.28 1.22 0.03 1.81 1.35 -1.45 -0.22 112.91 115.36 1ya3 h THR 870 Ca 0.11 -1.06 -0.22 0.00 -0.55 0.00 0.00 66.41 64.69 1ya3 h THR 870 Cb 0.44 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 68.43 1ya3 h THR 870 CO -0.32 0.30 -0.97 0.40 -0.25 0.00 0.00 175.52 174.68 1ya3 h ILE 871 N 0.00 1.48 -0.36 6.82 2.04 -1.40 -2.76 117.51 123.33 1ya3 h ILE 871 Ca -0.00 -2.70 -0.11 0.00 1.00 0.00 0.00 64.86 63.04 1ya3 h ILE 871 Cb 0.55 2.56 -0.01 0.00 -0.74 0.00 0.00 36.82 39.18 1ya3 h ILE 871 CO 0.04 0.79 -0.23 0.24 0.00 0.00 0.00 178.15 179.00 1ya3 h MET 872 N 0.13 0.70 -0.52 2.37 2.86 -0.62 0.21 114.93 120.06 1ya3 h MET 872 Ca -0.07 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 57.27 1ya3 h MET 872 Cb 1.62 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 33.23 1ya3 h MET 872 CO 0.15 0.87 0.24 0.87 1.06 0.00 0.00 176.91 180.11 1ya3 h LYS 873 N 0.62 0.75 -0.35 1.72 1.57 -1.01 -1.23 116.57 118.64 1ya3 h LYS 873 Ca 0.09 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1ya3 h LYS 873 Cb 0.71 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1ya3 h LYS 873 CO 0.05 0.63 0.20 0.28 -0.57 0.00 0.00 179.45 180.04 1ya3 h VAL 874 N 0.69 1.13 -0.53 0.50 2.07 -1.17 -2.25 116.25 116.69 1ya3 h VAL 874 Ca 0.18 -0.32 0.15 0.00 0.82 0.00 0.00 66.70 67.53 1ya3 h VAL 874 Cb 0.13 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1ya3 h VAL 874 CO -0.02 0.13 0.40 0.25 0.02 0.00 0.00 177.57 178.35 1ya3 h LEU 875 N 0.44 0.00 -0.11 2.57 5.85 -0.27 0.61 115.31 124.40 1ya3 h LEU 875 Ca 0.12 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.63 1ya3 h LEU 875 Cb 0.04 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1ya3 h LEU 875 CO -0.02 0.00 -0.99 -0.07 -0.34 0.00 0.00 178.44 177.02 1ya3 h LEU 876 N 0.00 0.17 -2.01 2.25 3.38 -0.67 -2.98 115.31 115.45 1ya3 h LEU 876 Ca 0.25 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1ya3 h LEU 876 Cb 1.04 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1ya3 h LEU 876 CO -0.00 1.05 -0.10 0.25 0.09 0.00 0.00 178.44 179.74 1ya3 h LEU 877 N 0.05 0.00 -3.32 1.67 5.85 -0.51 -1.77 115.31 117.28 1ya3 h LEU 877 Ca -0.05 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1ya3 h LEU 877 Cb 1.68 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.68 1ya3 h LEU 877 CO 0.14 0.10 0.01 0.18 -0.34 0.00 0.00 178.44 178.53 1ya3 n LEU 878 N -3.65 4.11 0.04 2.25 4.77 -1.05 -4.65 117.00 118.82 1ya3 n LEU 878 Ca -0.02 -3.22 0.11 0.00 -0.03 0.00 0.00 56.01 52.86 1ya3 n LEU 878 Cb 0.21 -0.58 0.05 0.00 -2.33 0.00 0.00 43.42 40.77 1ya3 n LEU 878 CO 0.29 0.82 0.06 -1.54 -1.33 0.00 0.00 177.39 175.70 1ya3 n SER 879 N -0.66 0.63 -3.82 -1.43 3.41 -0.67 -4.89 113.62 106.21 1ya3 n SER 879 Ca 0.26 -0.07 -0.22 0.00 -0.26 0.00 0.00 58.87 58.58 1ya3 n SER 879 Cb 0.97 0.65 -0.17 0.00 -0.26 0.00 0.00 64.21 65.39 1ya3 n SER 879 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ya3 s THR 880 N -3.22 0.46 0.40 6.66 2.01 -1.26 -0.45 115.64 120.24 1ya3 s THR 880 Ca 0.03 0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.09 1ya3 s THR 880 Cb 0.14 -0.57 -0.05 0.00 0.01 0.00 0.00 72.50 72.03 1ya3 s THR 880 CO 0.78 0.25 0.06 0.27 -0.69 0.00 0.00 174.62 175.29 1ya3 s ILE 881 N 1.57 1.18 0.38 1.82 -4.36 -0.80 -4.84 121.20 116.15 1ya3 s ILE 881 Ca -0.01 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.12 1ya3 s ILE 881 Cb -0.13 -2.60 -0.09 0.00 1.25 0.00 0.00 42.46 40.89 1ya3 s ILE 881 CO -0.04 0.00 1.20 -2.84 0.24 0.00 0.00 174.94 173.50 1ya3 s PRO 882 N -3.81 4.16 0.27 0.37 0.02 -1.26 -1.29 135.00 133.46 1ya3 s PRO 882 Ca 0.27 1.92 -0.01 0.00 0.02 0.00 0.00 61.00 63.21 1ya3 s PRO 882 Cb 0.06 -2.80 0.60 0.00 0.02 0.00 0.00 34.50 32.37 1ya3 s PRO 882 CO 0.13 -0.25 1.68 -0.22 -0.33 0.00 0.00 177.00 178.01 1ya3 h LYS 883 N 2.89 0.28 0.00 5.54 3.64 0.08 -1.40 116.57 127.60 1ya3 h LYS 883 Ca -0.49 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.86 1ya3 h LYS 883 Cb 1.23 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1ya3 h LYS 883 CO 0.63 0.19 -0.31 -0.44 -2.27 0.00 0.00 179.45 177.25 1ya3 h ASP 884 N 0.29 0.00 -4.61 4.20 3.32 -1.90 -3.48 116.42 114.24 1ya3 h ASP 884 Ca 0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.54 1ya3 h ASP 884 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1ya3 h ASP 884 CO -0.56 0.08 0.00 0.61 -1.72 0.00 0.00 179.24 177.65 1ya3 n GLY 885 N 1.14 3.45 3.95 2.75 0.00 -0.53 -5.12 105.19 110.83 1ya3 n GLY 885 Ca 0.03 -1.85 -0.24 0.00 0.00 0.00 0.00 46.02 43.96 1ya3 n GLY 885 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ya3 s LEU 886 N 0.00 3.44 0.16 0.99 1.43 -1.26 -4.64 118.68 118.80 1ya3 s LEU 886 Ca 0.00 0.33 -0.21 0.00 -1.03 0.00 0.00 54.13 53.22 1ya3 s LEU 886 Cb 0.00 -3.19 0.07 0.00 0.03 0.00 0.00 46.19 43.10 1ya3 s LEU 886 CO 0.00 -0.91 1.63 0.07 0.23 0.00 0.00 176.35 177.36 1ya3 h LYS 887 N 0.16 -0.19 -2.40 1.70 5.09 -1.97 -2.82 116.57 116.15 1ya3 h LYS 887 Ca -0.45 0.01 -0.67 0.00 0.09 0.00 0.00 60.65 59.63 1ya3 h LYS 887 Cb 1.26 0.04 -0.37 0.00 0.10 0.00 0.00 32.23 33.26 1ya3 h LYS 887 CO 0.57 -0.12 -0.13 0.43 -2.09 0.00 0.00 179.45 178.11 1ya3 n SER 888 N -5.39 4.81 -0.32 7.07 7.64 -1.26 -4.86 113.62 121.32 1ya3 n SER 888 Ca 0.01 -3.49 0.08 0.00 1.01 0.00 0.00 58.87 56.47 1ya3 n SER 888 Cb 0.30 -0.85 0.28 0.00 -1.01 0.00 0.00 64.21 62.93 1ya3 n SER 888 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1ya3 h GLN 889 N 4.34 0.90 -0.29 1.43 5.75 -1.89 -0.56 115.11 124.79 1ya3 h GLN 889 Ca 0.21 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.68 1ya3 h GLN 889 Cb 0.60 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.92 1ya3 h GLN 889 CO 0.99 0.59 0.13 0.00 -2.65 0.00 0.00 178.83 177.89 1ya3 h ALA 890 N 1.55 0.34 -0.03 3.38 0.00 -1.89 -2.28 119.26 120.33 1ya3 h ALA 890 Ca 0.45 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 1ya3 h ALA 890 Cb 0.47 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ya3 h ALA 890 CO -0.22 -0.27 -0.02 0.00 0.00 0.00 0.00 179.25 178.75 1ya3 h ALA 891 N 1.16 0.04 -0.53 0.00 0.00 -1.64 -3.20 119.26 115.09 1ya3 h ALA 891 Ca 0.12 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 54.90 1ya3 h ALA 891 Cb 0.06 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.75 1ya3 h ALA 891 CO -0.10 -0.22 0.02 0.35 0.00 0.00 0.00 179.25 179.30 1ya3 h PHE 892 N -0.35 -0.00 0.00 0.00 3.57 -1.13 -0.90 116.94 118.13 1ya3 h PHE 892 Ca 0.01 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1ya3 h PHE 892 Cb 0.46 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 1ya3 h PHE 892 CO 0.08 -0.11 -0.00 1.49 -2.23 0.00 0.00 178.31 177.53 1ya3 h GLU 893 N 0.14 0.00 0.15 1.11 4.81 -1.45 -1.30 114.58 118.03 1ya3 h GLU 893 Ca 0.27 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.20 1ya3 h GLU 893 Cb 0.41 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.80 1ya3 h GLU 893 CO -0.43 0.00 -1.45 0.93 -0.73 0.00 0.00 179.01 177.33 1ya3 h GLU 894 N 0.00 0.32 -0.22 1.92 5.08 -1.17 -3.06 114.58 117.44 1ya3 h GLU 894 Ca -0.00 -0.55 -0.13 0.00 -1.00 0.00 0.00 59.36 57.68 1ya3 h GLU 894 Cb 0.00 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ya3 h GLU 894 CO 0.00 1.22 -0.38 1.98 -1.00 0.00 0.00 179.01 180.84 1ya3 h MET 895 N 0.09 0.65 0.24 2.33 1.85 -0.94 -2.58 114.93 116.57 1ya3 h MET 895 Ca -0.22 -0.40 -0.01 0.00 -0.61 0.00 0.00 59.70 58.46 1ya3 h MET 895 Cb 2.04 0.04 -0.00 0.00 0.43 0.00 0.00 31.60 34.11 1ya3 h MET 895 CO 0.20 1.02 -0.13 -0.09 -0.40 0.00 0.00 176.91 177.50 1ya3 h ARG 896 N 0.35 -0.34 -0.40 0.39 2.43 -1.38 -2.10 114.38 113.33 1ya3 h ARG 896 Ca 0.02 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.29 1ya3 h ARG 896 Cb 0.97 0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 30.51 1ya3 h ARG 896 CO 0.09 -0.23 -0.16 1.15 -1.51 0.00 0.00 179.97 179.31 1ya3 h THR 897 N -0.35 0.47 0.00 0.20 2.02 -1.57 -0.10 112.91 113.58 1ya3 h THR 897 Ca -0.03 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1ya3 h THR 897 Cb 0.28 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1ya3 h THR 897 CO 0.04 0.00 -0.09 0.78 0.37 0.00 0.00 175.52 176.61 1ya3 h ASN 898 N -0.08 0.00 1.30 4.18 2.35 -1.35 -0.47 115.58 121.52 1ya3 h ASN 898 Ca 0.20 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.84 1ya3 h ASN 898 Cb 0.39 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1ya3 h ASN 898 CO -0.46 0.09 -0.49 1.88 -1.65 0.00 0.00 177.43 176.81 1ya3 h TYR 899 N 0.00 0.00 0.08 1.19 0.05 -0.34 -1.70 116.97 116.25 1ya3 h TYR 899 Ca -0.00 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.50 1ya3 h TYR 899 Cb 0.23 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.00 1ya3 h TYR 899 CO 0.00 0.49 -1.14 0.82 -1.05 0.00 0.00 178.16 177.28 1ya3 h ILE 900 N 0.00 1.29 -0.09 -2.88 2.04 -0.13 -2.77 117.51 114.98 1ya3 h ILE 900 Ca -0.00 -2.38 -0.06 0.00 1.00 0.00 0.00 64.86 63.42 1ya3 h ILE 900 Cb 1.27 2.62 -0.01 0.00 -0.74 0.00 0.00 36.82 39.96 1ya3 h ILE 900 CO 0.06 0.72 -0.20 0.11 0.00 0.00 0.00 178.15 178.85 1ya3 h LYS 901 N 0.27 0.14 0.55 2.37 1.57 -1.06 -1.15 116.57 119.27 1ya3 h LYS 901 Ca -0.17 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.55 1ya3 h LYS 901 Cb 1.82 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 34.12 1ya3 h LYS 901 CO 0.22 0.35 -0.27 1.49 -0.57 0.00 0.00 179.45 180.67 1ya3 h GLU 902 N 0.14 -0.72 -0.99 3.15 4.57 -1.25 -1.50 114.58 117.98 1ya3 h GLU 902 Ca 0.02 0.05 0.18 0.00 -1.18 0.00 0.00 59.36 58.44 1ya3 h GLU 902 Cb 0.44 0.16 -0.10 0.00 -0.16 0.00 0.00 28.75 29.10 1ya3 h GLU 902 CO 0.03 -0.41 0.61 1.25 -1.18 0.00 0.00 179.01 179.31 1ya3 h LEU 903 N -0.95 0.74 -0.41 1.64 5.85 -1.20 0.27 115.31 121.26 1ya3 h LEU 903 Ca -0.08 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1ya3 h LEU 903 Cb 0.64 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1ya3 h LEU 903 CO 0.13 0.29 0.25 0.03 -0.34 0.00 0.00 178.44 178.80 1ya3 h ARG 904 N 0.74 0.49 -0.71 1.25 -0.00 -0.98 -2.02 114.38 113.14 1ya3 h ARG 904 Ca 0.55 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.98 59.97 1ya3 h ARG 904 Cb 0.89 -0.11 -0.03 0.00 0.00 0.00 0.00 29.97 30.71 1ya3 h ARG 904 CO -0.33 0.33 0.34 -0.22 0.00 0.00 0.00 179.97 180.09 1ya3 h LYS 905 N 0.51 1.02 0.00 0.04 1.63 0.48 -1.00 116.57 119.25 1ya3 h LYS 905 Ca 0.16 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1ya3 h LYS 905 Cb -0.02 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.42 1ya3 h LYS 905 CO -0.06 0.79 0.00 -0.12 -3.45 0.00 0.00 179.45 176.61 1ya3 n MET 906 N -4.33 0.01 0.02 1.90 1.56 0.24 -2.46 117.12 114.06 1ya3 n MET 906 Ca 0.07 0.30 0.11 0.00 -0.27 0.00 0.00 57.70 57.91 1ya3 n MET 906 Cb 0.14 -1.50 -0.11 0.00 2.15 0.00 0.00 33.22 33.90 1ya3 n MET 906 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1ya3 n VAL 907 N -1.48 0.17 -1.92 1.12 0.31 -0.39 -4.97 118.33 111.16 1ya3 n VAL 907 Ca 0.03 -0.47 -0.28 0.00 -0.01 0.00 0.00 64.34 63.60 1ya3 n VAL 907 Cb 0.13 -0.03 -0.05 0.00 -0.91 0.00 0.00 33.84 32.98 1ya3 n VAL 907 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1ya3 s THR 908 N -3.43 3.31 0.00 2.52 2.01 -1.03 -4.93 115.64 114.09 1ya3 s THR 908 Ca -0.05 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.83 1ya3 s THR 908 Cb 0.13 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.90 1ya3 s THR 908 CO 0.87 -0.70 0.00 -1.54 -0.69 0.00 0.00 174.62 172.56 1ya3 n SER 917 N 14.60 0.00 0.26 3.53 3.41 -1.26 -5.17 113.62 128.99 1ya3 n SER 917 Ca 0.36 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 59.05 1ya3 n SER 917 Cb 0.48 0.00 0.66 0.00 -0.26 0.00 0.00 64.21 65.09 1ya3 n SER 917 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1ya3 h TRP 918 N 0.00 0.00 -0.57 7.33 4.06 -1.99 -1.63 115.95 123.15 1ya3 h TRP 918 Ca 0.00 0.00 0.09 0.00 2.06 0.00 0.00 58.89 61.04 1ya3 h TRP 918 Cb 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.09 1ya3 h TRP 918 CO 0.00 0.05 0.20 0.37 -3.56 0.00 0.00 178.44 175.50 1ya3 h GLN 919 N 0.00 0.37 -0.31 0.49 4.15 -2.00 0.94 115.11 118.75 1ya3 h GLN 919 Ca -0.00 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.43 1ya3 h GLN 919 Cb 0.09 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 1ya3 h GLN 919 CO 0.01 0.24 0.11 -0.09 -1.93 0.00 0.00 178.83 177.17 1ya3 h ARG 920 N 0.38 0.24 0.16 1.69 9.65 -1.70 0.13 114.38 124.93 1ya3 h ARG 920 Ca 0.29 -0.01 0.02 0.00 -1.10 0.00 0.00 59.98 59.17 1ya3 h ARG 920 Cb 0.35 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.83 1ya3 h ARG 920 CO -0.30 0.16 -0.33 0.35 2.80 0.00 0.00 179.97 182.66 1ya3 h PHE 921 N 0.25 -0.90 -0.37 2.20 3.57 -0.22 -1.67 116.94 119.80 1ya3 h PHE 921 Ca 0.14 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.73 1ya3 h PHE 921 Cb 0.10 0.38 -0.08 0.00 2.79 0.00 0.00 35.95 39.13 1ya3 h PHE 921 CO -0.13 -0.44 -0.22 -0.92 -2.23 0.00 0.00 178.31 174.37 1ya3 h TYR 922 N -0.58 -0.56 -0.96 0.41 3.20 0.13 -1.34 116.97 117.27 1ya3 h TYR 922 Ca 0.02 0.04 0.13 0.00 3.14 0.00 0.00 58.73 62.07 1ya3 h TYR 922 Cb 0.59 0.30 -0.08 0.00 1.54 0.00 0.00 36.73 39.09 1ya3 h TYR 922 CO -0.28 -0.30 0.61 1.96 -1.64 0.00 0.00 178.16 178.52 1ya3 h GLN 923 N -0.16 0.84 -0.07 1.82 4.20 -0.38 -0.20 115.11 121.16 1ya3 h GLN 923 Ca 0.18 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.70 1ya3 h GLN 923 Cb 0.44 -0.19 0.01 0.00 0.30 0.00 0.00 27.48 28.04 1ya3 h GLN 923 CO -0.46 0.56 -0.50 -0.07 -0.67 0.00 0.00 178.83 177.69 1ya3 h LEU 924 N 0.87 0.56 -1.13 1.46 3.38 -0.34 -2.40 115.31 117.71 1ya3 h LEU 924 Ca 0.48 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1ya3 h LEU 924 Cb 0.59 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1ya3 h LEU 924 CO -0.25 1.15 0.00 0.71 0.09 0.00 0.00 178.44 180.14 1ya3 h THR 925 N 0.01 0.00 -0.03 0.22 1.35 -1.01 -2.03 112.91 111.42 1ya3 h THR 925 Ca -0.04 -0.58 -0.17 0.00 -0.55 0.00 0.00 66.41 65.07 1ya3 h THR 925 Cb 1.16 1.56 0.01 0.00 -1.73 0.00 0.00 68.15 69.15 1ya3 h THR 925 CO 0.10 0.00 -0.65 0.50 -0.25 0.00 0.00 175.52 175.22 1ya3 h LYS 926 N 0.00 0.49 -0.36 4.72 3.11 -1.03 -1.52 116.57 121.98 1ya3 h LYS 926 Ca 0.00 -0.49 0.04 0.00 -2.81 0.00 0.00 60.65 57.39 1ya3 h LYS 926 Cb 0.59 0.13 -0.04 0.00 -1.00 0.00 0.00 32.23 31.91 1ya3 h LYS 926 CO 0.00 1.13 0.14 1.25 -2.81 0.00 0.00 179.45 179.16 1ya3 h LEU 927 N 0.05 0.18 -0.26 5.20 5.85 -1.01 0.68 115.31 125.99 1ya3 h LEU 927 Ca -0.07 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.72 1ya3 h LEU 927 Cb 1.33 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.33 1ya3 h LEU 927 CO 0.13 0.14 0.02 -0.07 -0.34 0.00 0.00 178.44 178.32 1ya3 h LEU 928 N 0.31 -0.07 -0.63 2.25 3.38 -1.33 -1.06 115.31 118.16 1ya3 h LEU 928 Ca 0.16 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.24 1ya3 h LEU 928 Cb 0.12 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1ya3 h LEU 928 CO -0.15 -0.00 0.35 0.44 0.09 0.00 0.00 178.44 179.17 1ya3 h ASP 929 N 0.10 0.52 0.54 -0.43 5.19 -0.44 0.12 116.42 122.02 1ya3 h ASP 929 Ca 0.12 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1ya3 h ASP 929 Cb 0.15 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.58 1ya3 h ASP 929 CO -0.19 0.34 0.00 -1.54 -3.12 0.00 0.00 179.24 174.73 1ya3 n SER 930 N -4.80 0.00 0.11 6.45 3.41 0.15 -1.79 113.62 117.15 1ya3 n SER 930 Ca 0.07 0.46 -0.03 0.00 -0.26 0.00 0.00 58.87 59.11 1ya3 n SER 930 Cb 0.16 -0.48 0.15 0.00 -0.26 0.00 0.00 64.21 63.78 1ya3 n SER 930 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1ya3 h MET 931 N 0.00 0.12 -0.32 4.33 -1.53 0.55 -2.67 114.93 115.41 1ya3 h MET 931 Ca 0.00 -0.08 -0.06 0.00 -3.44 0.00 0.00 59.70 56.12 1ya3 h MET 931 Cb 0.27 0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.32 1ya3 h MET 931 CO 0.00 0.68 -0.03 0.45 0.14 0.00 0.00 176.91 178.15 1ya3 h HIS 932 N 0.09 0.65 -0.18 1.39 3.86 -1.31 0.37 115.15 120.03 1ya3 h HIS 932 Ca -0.01 -0.12 0.05 0.00 -1.16 0.00 0.00 60.37 59.13 1ya3 h HIS 932 Cb 1.08 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 29.34 1ya3 h HIS 932 CO 0.01 0.74 -0.13 -0.44 0.86 0.00 0.00 177.93 178.96 1ya3 h ASP 933 N 0.38 -0.43 -0.19 2.45 3.45 -1.59 -0.01 116.42 120.48 1ya3 h ASP 933 Ca 0.09 0.09 -0.02 0.00 0.43 0.00 0.00 57.03 57.62 1ya3 h ASP 933 Cb 0.50 0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.48 1ya3 h ASP 933 CO 0.02 -0.17 0.03 0.25 -1.57 0.00 0.00 179.24 177.80 1ya3 h LEU 934 N -0.14 0.29 -1.77 1.55 5.85 -1.36 -2.99 115.31 116.75 1ya3 h LEU 934 Ca 0.11 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 1ya3 h LEU 934 Cb 0.30 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 1ya3 h LEU 934 CO -0.26 0.47 -0.14 0.58 -0.34 0.00 0.00 178.44 178.75 1ya3 h VAL 935 N 0.11 0.59 0.00 1.05 2.07 -0.69 -1.47 116.25 117.90 1ya3 h VAL 935 Ca 0.06 -0.65 -0.10 0.00 0.82 0.00 0.00 66.70 66.83 1ya3 h VAL 935 Cb 0.30 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1ya3 h VAL 935 CO 0.00 0.14 -0.47 -1.28 0.02 0.00 0.00 177.57 175.99 1ya3 h SER 936 N 0.00 0.00 1.47 0.57 0.87 -0.86 -0.99 113.55 114.61 1ya3 h SER 936 Ca -0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1ya3 h SER 936 Cb 0.41 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1ya3 h SER 936 CO 0.02 0.47 -0.54 0.44 -0.53 0.00 0.00 176.83 176.69 1ya3 h ASP 937 N 0.00 0.00 0.06 6.23 3.32 -1.21 -3.01 116.42 121.82 1ya3 h ASP 937 Ca -0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 1ya3 h ASP 937 Cb 0.86 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.42 1ya3 h ASP 937 CO 0.06 0.08 -0.73 -0.07 -1.72 0.00 0.00 179.24 176.86 1ya3 h LEU 938 N 0.00 0.53 -1.10 1.55 3.38 -1.02 -2.87 115.31 115.79 1ya3 h LEU 938 Ca -0.01 -0.84 -0.03 0.00 0.09 0.00 0.00 57.88 57.09 1ya3 h LEU 938 Cb 1.07 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 1ya3 h LEU 938 CO 0.01 1.32 0.28 -0.07 0.09 0.00 0.00 178.44 180.06 1ya3 h LEU 939 N -0.18 0.83 0.33 1.67 3.38 -1.27 0.11 115.31 120.18 1ya3 h LEU 939 Ca -0.11 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1ya3 h LEU 939 Cb 1.49 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1ya3 h LEU 939 CO 0.14 0.73 -0.16 -0.33 0.09 0.00 0.00 178.44 178.91 1ya3 h GLU 940 N 0.91 -0.42 0.00 1.13 5.08 -1.59 0.51 114.58 120.19 1ya3 h GLU 940 Ca 0.22 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1ya3 h GLU 940 Cb 0.14 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1ya3 h GLU 940 CO -0.02 -0.20 -0.05 0.35 -1.00 0.00 0.00 179.01 178.09 1ya3 h PHE 941 N -0.57 0.00 0.01 4.33 3.57 -1.26 -2.02 116.94 120.99 1ya3 h PHE 941 Ca -0.05 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.32 1ya3 h PHE 941 Cb 0.42 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.17 1ya3 h PHE 941 CO -0.02 0.05 -0.52 0.00 -2.23 0.00 0.00 178.31 175.59 1ya3 h PHE 943 N -0.23 0.83 0.08 0.00 0.05 0.31 0.21 116.94 118.19 1ya3 h PHE 943 Ca -0.07 0.02 -0.00 0.00 3.82 0.00 0.00 57.97 61.74 1ya3 h PHE 943 Cb 1.25 -0.28 0.00 0.00 2.00 0.00 0.00 35.95 38.93 1ya3 h PHE 943 CO 0.16 0.49 -0.04 -0.92 -0.18 0.00 0.00 178.31 177.83 1ya3 h TYR 944 N 0.87 -0.09 -0.20 -0.55 5.03 -1.44 -0.42 116.97 120.17 1ya3 h TYR 944 Ca 0.27 -0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.64 1ya3 h TYR 944 Cb 0.02 0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.33 1ya3 h TYR 944 CO -0.00 0.43 0.16 1.15 -1.32 0.00 0.00 178.16 178.58 1ya3 h THR 945 N -0.70 0.73 0.11 1.81 2.02 -1.21 0.78 112.91 116.44 1ya3 h THR 945 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1ya3 h THR 945 Cb 0.56 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1ya3 h THR 945 CO 0.02 0.00 -0.05 0.15 0.37 0.00 0.00 175.52 176.01 1ya3 h PHE 946 N 0.00 -0.13 -0.24 3.16 3.57 -0.42 -2.23 116.94 120.65 1ya3 h PHE 946 Ca 0.09 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.63 1ya3 h PHE 946 Cb 0.41 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 1ya3 h PHE 946 CO 0.00 0.37 -0.00 0.00 -2.23 0.00 0.00 178.31 176.44 1ya3 h ARG 947 N -0.88 0.07 -0.88 1.11 2.47 -0.51 -2.51 114.38 113.24 1ya3 h ARG 947 Ca -0.01 -0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.63 1ya3 h ARG 947 Cb 0.55 -0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 28.81 1ya3 h ARG 947 CO 0.02 0.05 0.10 0.39 0.56 0.00 0.00 179.97 181.08 1ya3 n GLU 948 N -5.15 2.35 -0.18 0.04 -0.58 0.22 -4.56 120.64 112.78 1ya3 n GLU 948 Ca -0.01 -1.38 -0.02 0.00 -0.42 0.00 0.00 57.16 55.33 1ya3 n GLU 948 Cb 0.13 -1.74 0.08 0.00 -0.57 0.00 0.00 31.44 29.34 1ya3 n GLU 948 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1ya3 h SER 949 N 1.34 0.19 0.17 1.62 0.87 -0.93 0.44 113.55 117.25 1ya3 h SER 949 Ca 0.09 0.07 0.01 0.00 -1.23 0.00 0.00 61.79 60.74 1ya3 h SER 949 Cb 1.38 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 63.36 1ya3 h SER 949 CO 0.31 0.13 -0.30 1.12 -0.53 0.00 0.00 176.83 177.56 1ya3 h HIS 950 N 0.38 -0.82 -0.04 2.24 -0.00 -1.85 0.15 115.15 115.21 1ya3 h HIS 950 Ca 0.27 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.65 1ya3 h HIS 950 Cb 0.31 0.34 -0.00 0.00 -0.00 0.00 0.00 27.41 28.05 1ya3 h HIS 950 CO -0.17 -0.42 -0.00 0.00 -0.00 0.00 0.00 177.93 177.34 1ya3 h ALA 951 N 0.09 0.06 0.00 6.11 0.00 -1.86 -3.09 119.26 120.57 1ya3 h ALA 951 Ca 0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ya3 h ALA 951 Cb 0.56 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ya3 h ALA 951 CO -0.15 -0.27 -0.02 -0.07 0.00 0.00 0.00 179.25 178.75 1ya3 h LEU 952 N -0.24 0.00 -2.54 0.00 4.07 -0.92 -3.47 115.31 112.21 1ya3 h LEU 952 Ca 0.01 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.87 1ya3 h LEU 952 Cb 0.35 0.00 0.08 0.00 1.08 0.00 0.00 40.66 42.17 1ya3 h LEU 952 CO 0.00 0.02 -0.35 2.29 -1.08 0.00 0.00 178.44 179.32 1ya3 n LYS 953 N -3.14 -1.42 -3.85 1.13 0.00 0.48 -4.75 118.16 106.62 1ya3 n LYS 953 Ca -0.00 0.97 -0.28 0.00 -0.00 0.00 0.00 58.31 59.00 1ya3 n LYS 953 Cb 0.27 -4.88 -0.16 0.00 -0.00 0.00 0.00 35.03 30.25 1ya3 n LYS 953 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1ya3 s VAL 954 N -3.16 0.93 0.27 0.58 1.01 -0.97 -4.70 120.40 114.35 1ya3 s VAL 954 Ca 0.19 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 1ya3 s VAL 954 Cb -0.02 -1.18 -0.09 0.00 0.00 0.00 0.00 36.38 35.08 1ya3 s VAL 954 CO 0.58 0.05 1.05 -1.83 0.00 0.00 0.00 175.10 174.96 1ya3 s GLU 955 N 1.70 4.69 -0.10 2.72 1.03 -1.26 -4.81 118.70 122.68 1ya3 s GLU 955 Ca 0.00 1.71 0.02 0.00 0.03 0.00 0.00 54.97 56.73 1ya3 s GLU 955 Cb -0.16 -3.20 0.01 0.00 -0.80 0.00 0.00 34.13 29.99 1ya3 s GLU 955 CO -0.07 0.29 -0.15 -0.06 -1.33 0.00 0.00 175.26 173.94 1ya3 s PHE 956 N -1.18 1.91 0.57 4.83 0.40 -1.26 -4.55 117.98 118.70 1ya3 s PHE 956 Ca 0.44 -0.85 -0.21 0.00 -0.60 0.00 0.00 56.93 55.71 1ya3 s PHE 956 Cb -0.30 -1.37 -0.04 0.00 0.51 0.00 0.00 43.02 41.82 1ya3 s PHE 956 CO 0.38 -0.43 1.32 -2.14 0.70 0.00 0.00 175.22 175.06 1ya3 s PRO 957 N 0.86 3.02 0.32 0.24 0.02 -1.26 -4.75 135.00 133.45 1ya3 s PRO 957 Ca -0.10 2.14 0.09 0.00 0.02 0.00 0.00 61.00 63.15 1ya3 s PRO 957 Cb -0.15 -2.14 0.84 0.00 0.02 0.00 0.00 34.50 33.06 1ya3 s PRO 957 CO 0.01 -1.26 1.77 0.00 -0.33 0.00 0.00 177.00 177.19 1ya3 h ALA 958 N 1.23 1.79 0.33 -1.55 0.00 -1.99 0.18 119.26 119.26 1ya3 h ALA 958 Ca -0.51 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1ya3 h ALA 958 Cb 1.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1ya3 h ALA 958 CO 0.56 -0.19 -0.16 1.98 0.00 0.00 0.00 179.25 181.44 1ya3 h MET 959 N 0.66 -0.43 0.00 0.00 1.85 -1.95 -2.10 114.93 112.95 1ya3 h MET 959 Ca 0.59 0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.71 1ya3 h MET 959 Cb 1.07 0.10 0.00 0.00 0.43 0.00 0.00 31.60 33.20 1ya3 h MET 959 CO -0.39 -0.28 0.00 -0.07 -0.40 0.00 0.00 176.91 175.77 1ya3 h LEU 960 N -0.46 0.00 -0.12 3.39 4.07 -1.59 -2.46 115.31 118.14 1ya3 h LEU 960 Ca -0.05 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.84 1ya3 h LEU 960 Cb 0.35 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.09 1ya3 h LEU 960 CO 0.08 0.00 -0.22 0.58 -1.08 0.00 0.00 178.44 177.79 1ya3 h VAL 961 N 0.00 1.38 0.00 1.22 2.07 -0.37 -2.35 116.25 118.20 1ya3 h VAL 961 Ca 0.00 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.04 1ya3 h VAL 961 Cb 0.30 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1ya3 h VAL 961 CO 0.00 0.43 0.00 -0.33 0.02 0.00 0.00 177.57 177.69 1ya3 h GLU 962 N -0.05 0.00 0.08 1.57 5.08 -0.96 -2.23 114.58 118.06 1ya3 h GLU 962 Ca 0.01 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.09 1ya3 h GLU 962 Cb 0.80 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 1ya3 h GLU 962 CO 0.05 0.00 -1.48 0.82 -1.00 0.00 0.00 179.01 177.40 1ya3 h ILE 963 N 0.00 0.91 -0.03 3.13 2.04 -1.43 -3.36 117.51 118.77 1ya3 h ILE 963 Ca 0.00 -2.31 -0.17 0.00 1.00 0.00 0.00 64.86 63.38 1ya3 h ILE 963 Cb 0.47 2.52 -0.01 0.00 -0.74 0.00 0.00 36.82 39.06 1ya3 h ILE 963 CO 0.00 0.63 -0.72 0.40 0.00 0.00 0.00 178.15 178.46 1ya3 h ILE 964 N -0.44 1.44 0.00 -0.67 2.04 -1.43 -0.74 117.51 117.71 1ya3 h ILE 964 Ca -0.34 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.24 1ya3 h ILE 964 Cb 1.67 2.22 0.00 0.00 -0.74 0.00 0.00 36.82 39.97 1ya3 h ILE 964 CO -0.02 0.67 0.00 -1.54 0.00 0.00 0.00 178.15 177.26 1ya3 n SER 965 N -3.77 0.68 -0.11 1.72 3.41 -0.84 -1.42 113.62 113.30 1ya3 n SER 965 Ca -0.03 0.64 -0.22 0.00 -0.26 0.00 0.00 58.87 59.00 1ya3 n SER 965 Cb 0.70 -0.79 -0.12 0.00 -0.26 0.00 0.00 64.21 63.74 1ya3 n SER 965 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1ya3 n ASP 966 N -2.22 1.99 0.14 4.04 -0.08 -1.11 -4.56 116.55 114.75 1ya3 n ASP 966 Ca 0.03 0.10 0.01 0.00 -1.51 0.00 0.00 54.79 53.41 1ya3 n ASP 966 Cb 0.28 -0.64 0.16 0.00 2.34 0.00 0.00 41.12 43.25 1ya3 n ASP 966 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1ya3 h GLN 967 N -0.34 0.00 -0.18 -0.67 4.15 -1.05 -3.34 115.11 113.68 1ya3 h GLN 967 Ca -0.57 0.00 0.01 0.00 0.77 0.00 0.00 58.65 58.86 1ya3 h GLN 967 Cb 1.80 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.47 1ya3 h GLN 967 CO -0.16 0.59 0.11 1.25 -1.93 0.00 0.00 178.83 178.68 1ya3 h LEU 968 N 0.00 0.18 0.00 -2.39 5.85 -1.48 -0.42 115.31 117.04 1ya3 h LEU 968 Ca -0.01 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1ya3 h LEU 968 Cb 1.19 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1ya3 h LEU 968 CO 0.08 0.13 -0.12 1.55 -0.34 0.00 0.00 178.44 179.74 1ya3 h PRO 969 N 0.22 0.00 -0.14 5.25 0.13 -1.84 -1.43 132.00 134.19 1ya3 h PRO 969 Ca 0.07 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.07 1ya3 h PRO 969 Cb -0.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.12 1ya3 h PRO 969 CO -0.03 0.00 -0.40 -0.22 -0.23 0.00 0.00 178.00 177.12 1ya3 h LYS 970 N 0.00 0.51 0.15 0.86 1.63 -1.62 -2.81 116.57 115.28 1ya3 h LYS 970 Ca 0.00 -0.37 -0.01 0.00 -0.85 0.00 0.00 60.65 59.42 1ya3 h LYS 970 Cb 0.95 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.64 1ya3 h LYS 970 CO 0.00 0.99 -0.07 0.28 -3.45 0.00 0.00 179.45 177.20 1ya3 h VAL 971 N 0.13 0.55 -0.36 2.00 2.07 -1.10 -2.21 116.25 117.34 1ya3 h VAL 971 Ca -0.01 -1.14 0.10 0.00 0.82 0.00 0.00 66.70 66.47 1ya3 h VAL 971 Cb 1.02 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1ya3 h VAL 971 CO 0.09 0.16 0.45 -0.33 0.02 0.00 0.00 177.57 177.96 1ya3 h GLU 972 N -0.98 0.00 0.00 1.57 3.07 -1.39 0.31 114.58 117.15 1ya3 h GLU 972 Ca -0.02 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.69 1ya3 h GLU 972 Cb 0.42 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 1ya3 h GLU 972 CO 0.03 0.00 -0.93 0.66 -1.40 0.00 0.00 179.01 177.37 1ya3 h SER 973 N 0.00 0.00 0.00 1.42 4.64 -1.59 -3.48 113.55 114.54 1ya3 h SER 973 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1ya3 h SER 973 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1ya3 h SER 973 CO -0.00 0.64 0.00 0.61 -0.87 0.00 0.00 176.83 177.21 1ya3 n GLY 974 N 1.32 1.01 0.00 -0.77 0.00 0.10 -4.97 105.19 101.87 1ya3 n GLY 974 Ca -0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.13 1ya3 n GLY 974 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ya3 n ASN 975 N 0.00 0.00 -4.74 1.61 3.02 -0.83 -4.72 115.26 109.59 1ya3 n ASN 975 Ca 0.00 -0.90 -0.38 0.00 -0.03 0.00 0.00 54.58 53.27 1ya3 n ASN 975 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 1ya3 n ASN 975 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ya3 s ALA 976 N -2.00 3.48 -0.32 5.41 0.00 -1.23 0.80 121.76 127.90 1ya3 s ALA 976 Ca 0.41 -0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.31 1ya3 s ALA 976 Cb 0.19 -2.69 0.09 0.00 0.00 0.00 0.00 23.12 20.71 1ya3 s ALA 976 CO 0.31 0.08 0.02 0.21 0.00 0.00 0.00 175.76 176.38 1ya3 s LYS 977 N 0.26 1.53 -0.03 0.00 2.20 -0.41 -4.80 119.74 118.50 1ya3 s LYS 977 Ca 0.29 -1.67 -0.29 0.00 -0.36 0.00 0.00 55.97 53.94 1ya3 s LYS 977 Cb -0.16 -3.00 -0.03 0.00 -1.51 0.00 0.00 37.83 33.12 1ya3 s LYS 977 CO 0.13 -0.87 0.96 -2.14 -0.36 0.00 0.00 175.35 173.07 1ya3 s PRO 978 N 1.03 4.52 -0.10 4.03 0.02 -1.26 -1.90 135.00 141.33 1ya3 s PRO 978 Ca 0.07 1.36 -0.23 0.00 0.02 0.00 0.00 61.00 62.21 1ya3 s PRO 978 Cb -0.19 -3.48 -0.03 0.00 0.02 0.00 0.00 34.50 30.82 1ya3 s PRO 978 CO -0.09 -0.09 0.71 -0.51 -0.33 0.00 0.00 177.00 176.68 1ya3 s LEU 979 N 1.19 4.27 -0.01 -5.54 1.43 0.40 -5.00 118.68 115.42 1ya3 s LEU 979 Ca 0.50 1.13 0.04 0.00 -1.03 0.00 0.00 54.13 54.76 1ya3 s LEU 979 Cb -0.20 -3.07 -0.03 0.00 0.03 0.00 0.00 46.19 42.92 1ya3 s LEU 979 CO 0.25 -0.18 -0.10 -0.31 0.23 0.00 0.00 176.35 176.24 1ya3 s TYR 980 N 1.17 2.82 -0.16 0.29 2.02 -1.26 -4.93 117.35 117.29 1ya3 s TYR 980 Ca 0.36 -0.08 0.18 0.00 -0.37 0.00 0.00 57.07 57.16 1ya3 s TYR 980 Cb -0.17 -1.60 -0.06 0.00 -0.40 0.00 0.00 41.96 39.72 1ya3 s TYR 980 CO 0.16 0.32 0.99 0.74 -1.57 0.00 0.00 175.55 176.19 1ya3 h PHE 981 N 4.75 0.00 0.00 2.71 0.04 -1.97 -3.52 116.94 118.95 1ya3 h PHE 981 Ca -0.48 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.29 1ya3 h PHE 981 Cb 1.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.31 1ya3 h PHE 981 CO 0.56 0.43 0.00 0.72 -0.60 0.00 0.00 178.31 179.42