#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f2t h ARG 741 N 0.00 -0.18 -0.39 0.00 2.43 -2.05 -0.56 114.38 113.63 1f2t h ARG 741 Ca 0.00 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1f2t h ARG 741 Cb 0.00 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1f2t h ARG 741 CO 0.00 -0.12 0.26 1.49 -1.51 0.00 0.00 179.97 180.09 1f2t h GLU 742 N -0.18 0.51 -0.46 0.20 4.81 -2.00 -0.10 114.58 117.36 1f2t h GLU 742 Ca 0.04 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1f2t h GLU 742 Cb 0.24 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1f2t h GLU 742 CO -0.11 0.34 -0.01 0.00 -0.73 0.00 0.00 179.01 178.50 1f2t h ALA 743 N 1.76 1.13 -0.01 2.92 0.00 -1.69 -0.28 119.26 123.09 1f2t h ALA 743 Ca 0.15 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1f2t h ALA 743 Cb -0.05 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1f2t h ALA 743 CO -0.03 0.56 -0.01 0.00 0.00 0.00 0.00 179.25 179.77 1f2t h ALA 744 N 1.29 0.02 -0.75 0.00 0.00 0.42 -2.68 119.26 117.56 1f2t h ALA 744 Ca 0.14 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1f2t h ALA 744 Cb 0.45 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1f2t h ALA 744 CO 0.02 -0.26 0.45 -0.07 0.00 0.00 0.00 179.25 179.39 1f2t h LEU 745 N -0.40 0.70 -0.85 0.00 3.38 -0.96 -1.03 115.31 116.14 1f2t h LEU 745 Ca 0.00 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1f2t h LEU 745 Cb 0.45 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1f2t h LEU 745 CO 0.00 0.45 0.03 -1.28 0.09 0.00 0.00 178.44 177.73 1f2t h SER 746 N 0.83 0.85 -0.13 -0.43 0.87 -1.08 -1.48 113.55 112.97 1f2t h SER 746 Ca 0.32 -0.20 -0.05 0.00 -1.23 0.00 0.00 61.79 60.63 1f2t h SER 746 Cb 0.15 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1f2t h SER 746 CO -0.16 0.89 -0.13 0.50 -0.53 0.00 0.00 176.83 177.40 1f2t h LYS 747 N 0.82 0.32 -0.60 2.24 1.63 -1.00 -1.10 116.57 118.88 1f2t h LYS 747 Ca 0.16 -0.17 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1f2t h LYS 747 Cb 0.45 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.06 1f2t h LYS 747 CO 0.02 0.71 0.32 0.82 -3.45 0.00 0.00 179.45 177.87 1f2t h ILE 748 N -0.06 1.19 -0.64 2.00 2.04 -1.20 -1.65 117.51 119.18 1f2t h ILE 748 Ca 0.02 -0.47 -0.08 0.00 1.00 0.00 0.00 64.86 65.32 1f2t h ILE 748 Cb 0.65 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1f2t h ILE 748 CO 0.03 0.21 0.07 1.23 0.00 0.00 0.00 178.15 179.69 1f2t h GLY 749 N 0.90 1.17 0.97 5.37 0.00 -1.02 -0.38 103.07 110.08 1f2t h GLY 749 Ca 0.21 -0.81 -0.05 0.00 0.00 0.00 0.00 47.33 46.69 1f2t h GLY 749 CO -0.03 0.75 0.10 -2.09 0.00 0.00 0.00 176.54 175.26 1f2t h GLU 750 N 0.99 0.77 -0.42 4.80 4.81 -0.55 0.86 114.58 125.84 1f2t h GLU 750 Ca 0.19 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1f2t h GLU 750 Cb 0.48 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1f2t h GLU 750 CO 0.02 0.76 0.10 -0.07 -0.73 0.00 0.00 179.01 179.10 1f2t h LEU 751 N 0.64 0.64 -0.96 1.64 3.38 -1.07 -2.74 115.31 116.86 1f2t h LEU 751 Ca 0.15 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 1f2t h LEU 751 Cb 0.35 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1f2t h LEU 751 CO 0.00 0.70 -0.27 0.00 0.09 0.00 0.00 178.44 178.97 1f2t h ALA 752 N 0.96 1.12 -0.68 1.53 0.00 -0.94 -3.03 119.26 118.22 1f2t h ALA 752 Ca 0.13 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1f2t h ALA 752 Cb 0.31 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1f2t h ALA 752 CO 0.00 0.55 0.45 0.77 0.00 0.00 0.00 179.25 181.02 1f2t h SER 753 N 0.39 0.78 -0.60 0.00 0.02 -0.54 0.23 113.55 113.83 1f2t h SER 753 Ca 0.06 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.90 1f2t h SER 753 Cb 0.68 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 1f2t h SER 753 CO 0.05 0.56 0.05 -0.33 -1.14 0.00 0.00 176.83 176.02 1f2t h GLU 754 N 0.92 1.02 -0.18 3.45 5.08 -1.38 -0.87 114.58 122.62 1f2t h GLU 754 Ca 0.25 -0.30 -0.17 0.00 -1.00 0.00 0.00 59.36 58.14 1f2t h GLU 754 Cb -0.11 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.04 1f2t h GLU 754 CO -0.05 0.98 -0.54 0.82 -1.00 0.00 0.00 179.01 179.22 1f2t h ILE 755 N 0.92 1.32 -0.32 3.13 2.04 -1.43 -2.25 117.51 120.92 1f2t h ILE 755 Ca 0.18 -1.78 -0.09 0.00 1.00 0.00 0.00 64.86 64.17 1f2t h ILE 755 Cb 0.49 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 1f2t h ILE 755 CO 0.02 0.55 -0.17 0.15 0.00 0.00 0.00 178.15 178.71 1f2t h PHE 756 N 0.36 0.63 -0.66 1.37 3.57 -0.91 0.09 116.94 121.39 1f2t h PHE 756 Ca -0.02 -0.12 -0.07 0.00 3.53 0.00 0.00 57.97 61.29 1f2t h PHE 756 Cb 1.16 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.71 1f2t h PHE 756 CO 0.09 0.71 0.12 0.00 -2.23 0.00 0.00 178.31 177.01 1f2t h ALA 757 N 1.30 0.97 -0.38 2.41 0.00 -1.12 -0.62 119.26 121.83 1f2t h ALA 757 Ca 0.09 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1f2t h ALA 757 Cb 0.59 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1f2t h ALA 757 CO 0.04 0.65 -0.13 1.49 0.00 0.00 0.00 179.25 181.30 1f2t h GLU 758 N 1.01 0.76 0.00 0.00 4.81 -0.76 0.21 114.58 120.60 1f2t h GLU 758 Ca 0.20 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1f2t h GLU 758 Cb 0.41 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 1f2t h GLU 758 CO 0.01 0.92 -0.11 0.74 -0.73 0.00 0.00 179.01 179.84 1f2t h PHE 759 N 0.55 0.00 -0.28 0.92 0.04 -0.69 -2.57 116.94 114.91 1f2t h PHE 759 Ca 0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.86 1f2t h PHE 759 Cb 0.67 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.82 1f2t h PHE 759 CO 0.05 0.11 0.00 0.25 -0.60 0.00 0.00 178.31 178.12 1f2t n THR 760 N -3.44 1.78 -3.78 -1.55 -2.24 -0.27 -4.98 114.28 99.80 1f2t n THR 760 Ca -0.01 -1.55 -0.29 0.00 -2.27 0.00 0.00 64.05 59.93 1f2t n THR 760 Cb 0.27 0.04 0.02 0.00 -2.10 0.00 0.00 70.33 68.55 1f2t n THR 760 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1f2t n GLU 761 N -0.16 -4.82 -0.92 -0.78 1.02 -0.51 -1.42 120.64 113.06 1f2t n GLU 761 Ca 0.17 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 1f2t n GLU 761 Cb 0.70 -5.41 0.00 0.00 -0.02 0.00 0.00 31.44 26.71 1f2t n GLU 761 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1f2t n GLY 762 N -1.55 0.82 0.29 0.62 0.00 0.63 -4.93 105.19 101.07 1f2t n GLY 762 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 1f2t n GLY 762 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1f2t h LYS 763 N 2.52 0.91 -5.11 1.61 3.64 -1.47 -3.38 116.57 115.30 1f2t h LYS 763 Ca 0.00 -0.05 -0.65 0.00 -1.27 0.00 0.00 60.65 58.68 1f2t h LYS 763 Cb 0.00 -0.21 -0.24 0.00 -0.41 0.00 0.00 32.23 31.37 1f2t h LYS 763 CO 0.00 0.60 -0.68 0.71 -2.27 0.00 0.00 179.45 177.81 1f2t s TYR 764 N -6.12 3.00 -0.45 1.91 2.02 -1.26 -4.53 117.35 111.92 1f2t s TYR 764 Ca -0.13 -0.58 0.23 0.00 -0.37 0.00 0.00 57.07 56.22 1f2t s TYR 764 Cb 0.15 -2.07 0.30 0.00 -0.40 0.00 0.00 41.96 39.94 1f2t s TYR 764 CO 0.78 -0.31 1.40 0.66 -1.57 0.00 0.00 175.55 176.51 1f2t h SER 765 N 7.57 0.00 -4.88 2.29 4.64 -1.54 -3.34 113.55 118.29 1f2t h SER 765 Ca -0.36 -0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 60.87 1f2t h SER 765 Cb 1.18 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.07 1f2t h SER 765 CO 0.60 0.02 0.22 -0.70 -0.87 0.00 0.00 176.83 176.10 1f2t s GLU 766 N -3.24 1.01 -0.18 4.77 2.12 -1.25 -4.84 118.70 117.10 1f2t s GLU 766 Ca 0.05 0.28 -0.03 0.00 0.36 0.00 0.00 54.97 55.63 1f2t s GLU 766 Cb 0.09 0.48 -0.01 0.00 0.26 0.00 0.00 34.13 34.94 1f2t s GLU 766 CO 0.71 -0.31 -0.06 0.08 -0.54 0.00 0.00 175.26 175.14 1f2t s VAL 767 N -1.11 3.44 -0.17 3.70 1.01 -1.26 -0.79 120.40 125.21 1f2t s VAL 767 Ca -0.10 -0.50 -0.07 0.00 0.00 0.00 0.00 61.98 61.32 1f2t s VAL 767 Cb -0.00 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1f2t s VAL 767 CO 0.09 0.46 0.06 -0.69 0.00 0.00 0.00 175.10 175.02 1f2t s VAL 768 N 0.93 4.75 -0.17 2.92 1.01 0.19 -4.61 120.40 125.43 1f2t s VAL 768 Ca -0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.92 1f2t s VAL 768 Cb -0.15 -3.13 -0.00 0.00 0.00 0.00 0.00 36.38 33.10 1f2t s VAL 768 CO 0.01 0.48 -0.14 -0.69 0.00 0.00 0.00 175.10 174.76 1f2t s VAL 769 N 0.24 2.75 0.26 2.92 1.01 -1.26 -1.24 120.40 125.08 1f2t s VAL 769 Ca 0.04 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.34 1f2t s VAL 769 Cb -0.12 -2.18 -0.06 0.00 0.00 0.00 0.00 36.38 34.02 1f2t s VAL 769 CO 0.00 0.50 -0.03 -0.13 0.00 0.00 0.00 175.10 175.44 1f2t s ARG 770 N 0.95 1.47 -0.47 2.72 0.52 -0.39 -4.74 118.95 119.00 1f2t s ARG 770 Ca -0.02 -1.74 0.02 0.00 -0.52 0.00 0.00 55.73 53.46 1f2t s ARG 770 Cb -0.15 -0.93 0.12 0.00 0.52 0.00 0.00 34.95 34.52 1f2t s ARG 770 CO -0.02 -0.03 0.22 0.00 0.02 0.00 0.00 175.30 175.49 1f2t s ALA 771 N -3.19 3.21 -1.10 2.13 0.00 -1.26 -0.69 121.76 120.87 1f2t s ALA 771 Ca 0.29 -2.99 -0.22 0.00 0.00 0.00 0.00 51.96 49.04 1f2t s ALA 771 Cb 0.05 -2.20 -0.03 0.00 0.00 0.00 0.00 23.12 20.94 1f2t s ALA 771 CO 0.11 -1.91 1.83 -2.00 0.00 0.00 0.00 175.76 173.79 1f2t s GLU 772 N 0.23 2.94 -1.14 0.00 2.56 -0.95 -3.82 118.70 118.52 1f2t s GLU 772 Ca 0.14 -1.05 -0.04 0.00 0.00 0.00 0.00 54.97 54.03 1f2t s GLU 772 Cb -0.23 -5.26 -0.03 0.00 2.00 0.00 0.00 34.13 30.61 1f2t s GLU 772 CO -0.03 -3.24 0.93 0.39 -0.56 0.00 0.00 175.26 172.75 1f2t n GLU 773 N 8.56 -4.31 -3.39 4.30 -0.58 -1.26 -3.43 120.64 120.52 1f2t n GLU 773 Ca 0.42 0.82 -0.21 0.00 -0.42 0.00 0.00 57.16 57.78 1f2t n GLU 773 Cb 0.47 -5.73 0.06 0.00 -0.57 0.00 0.00 31.44 25.67 1f2t n GLU 773 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1f2t n ASN 774 N -3.15 -6.19 -3.08 1.62 4.13 -1.25 -4.99 115.26 102.34 1f2t n ASN 774 Ca -0.18 -0.81 0.02 0.00 1.68 0.00 0.00 54.58 55.28 1f2t n ASN 774 Cb 0.64 -4.61 -0.00 0.00 -1.54 0.00 0.00 39.78 34.28 1f2t n ASN 774 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1f2t s LYS 775 N -4.93 0.57 -0.14 3.52 2.47 -1.22 -5.13 119.74 114.87 1f2t s LYS 775 Ca 0.46 -0.06 -0.39 0.00 -1.56 0.00 0.00 55.97 54.42 1f2t s LYS 775 Cb -0.10 0.10 -0.17 0.00 -1.46 0.00 0.00 37.83 36.21 1f2t s LYS 775 CO 0.78 -0.86 1.55 0.28 0.16 0.00 0.00 175.35 177.26 1f2t n VAL 776 N 4.42 0.16 -4.98 4.02 0.31 -1.26 -2.24 118.33 118.75 1f2t n VAL 776 Ca 0.09 -0.03 -0.27 0.00 -0.01 0.00 0.00 64.34 64.12 1f2t n VAL 776 Cb 0.58 -0.96 -0.15 0.00 -0.91 0.00 0.00 33.84 32.39 1f2t n VAL 776 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1f2t s ARG 777 N 2.17 1.65 0.08 5.55 1.81 0.14 -4.91 118.95 125.45 1f2t s ARG 777 Ca 0.93 -0.76 0.06 0.00 -1.72 0.00 0.00 55.73 54.24 1f2t s ARG 777 Cb -1.06 -1.61 -0.04 0.00 -0.45 0.00 0.00 34.95 31.79 1f2t s ARG 777 CO 0.59 0.44 -0.06 -0.51 -0.68 0.00 0.00 175.30 175.08 1f2t s LEU 778 N -0.54 3.20 0.05 2.53 1.43 -1.26 -1.27 118.68 122.82 1f2t s LEU 778 Ca 0.08 -0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1f2t s LEU 778 Cb -0.08 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1f2t s LEU 778 CO -0.01 0.20 -0.04 -0.36 0.23 0.00 0.00 176.35 176.37 1f2t s PHE 779 N -1.21 0.55 0.17 0.29 0.40 -0.37 -4.65 117.98 113.15 1f2t s PHE 779 Ca 0.22 -1.00 0.09 0.00 -0.60 0.00 0.00 56.93 55.65 1f2t s PHE 779 Cb -0.11 -0.39 -0.04 0.00 0.51 0.00 0.00 43.02 42.99 1f2t s PHE 779 CO 0.14 -0.33 -0.21 0.14 0.70 0.00 0.00 175.22 175.67 1f2t s VAL 780 N -3.63 1.99 -0.15 -0.44 -7.23 -1.03 -0.64 120.40 109.27 1f2t s VAL 780 Ca 0.05 -1.91 -0.03 0.00 -1.81 0.00 0.00 61.98 58.29 1f2t s VAL 780 Cb 0.06 -1.91 -0.02 0.00 0.56 0.00 0.00 36.38 35.07 1f2t s VAL 780 CO -0.08 -0.22 -0.06 -0.69 -0.31 0.00 0.00 175.10 173.74 1f2t s VAL 781 N -1.81 3.64 -0.05 1.32 1.01 0.03 0.72 120.40 125.26 1f2t s VAL 781 Ca 0.16 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1f2t s VAL 781 Cb -0.07 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.76 1f2t s VAL 781 CO 0.07 0.50 -0.02 0.86 0.00 0.00 0.00 175.10 176.51 1f2t s TRP 782 N 0.38 0.61 -1.66 5.22 -0.00 -0.31 -1.81 118.94 121.37 1f2t s TRP 782 Ca -0.06 -0.14 -0.17 0.00 -0.00 0.00 0.00 56.10 55.73 1f2t s TRP 782 Cb -0.15 -0.63 0.14 0.00 -0.00 0.00 0.00 33.47 32.83 1f2t s TRP 782 CO 0.04 -0.21 0.83 0.39 -0.00 0.00 0.00 176.95 177.99 1f2t n GLU 783 N 4.36 -3.73 -0.95 5.86 -0.58 -1.26 -1.70 120.64 122.64 1f2t n GLU 783 Ca -0.21 0.43 0.00 0.00 -0.42 0.00 0.00 57.16 56.96 1f2t n GLU 783 Cb 0.50 -5.18 0.00 0.00 -0.57 0.00 0.00 31.44 26.20 1f2t n GLU 783 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1f2t n GLY 784 N -1.48 0.74 3.21 0.62 0.00 -1.26 -5.02 105.19 101.99 1f2t n GLY 784 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 1f2t n GLY 784 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1f2t s LYS 785 N -0.05 1.73 0.16 1.61 2.20 -0.69 -5.11 119.74 119.58 1f2t s LYS 785 Ca 0.00 -0.73 -0.30 0.00 -0.36 0.00 0.00 55.97 54.58 1f2t s LYS 785 Cb 0.00 -1.64 -0.07 0.00 -1.51 0.00 0.00 37.83 34.61 1f2t s LYS 785 CO 0.00 0.42 1.08 -2.00 -0.36 0.00 0.00 175.35 174.49 1f2t s GLU 786 N -0.41 4.60 0.10 4.03 2.12 -1.26 -1.16 118.70 126.73 1f2t s GLU 786 Ca 0.06 1.68 0.06 0.00 0.36 0.00 0.00 54.97 57.12 1f2t s GLU 786 Cb -0.09 -3.30 -0.03 0.00 0.26 0.00 0.00 34.13 30.97 1f2t s GLU 786 CO -0.00 0.07 -0.15 1.03 -0.54 0.00 0.00 175.26 175.67 1f2t s ARG 787 N -0.19 0.95 0.69 4.30 1.81 0.22 -4.96 118.95 121.78 1f2t s ARG 787 Ca 0.50 -1.12 -0.15 0.00 -1.72 0.00 0.00 55.73 53.24 1f2t s ARG 787 Cb -0.28 -0.91 0.02 0.00 -0.45 0.00 0.00 34.95 33.32 1f2t s ARG 787 CO 0.34 0.19 1.14 -2.14 -0.68 0.00 0.00 175.30 174.14 1f2t s PRO 788 N -2.26 2.52 0.26 3.54 0.02 -1.26 -2.45 135.00 135.36 1f2t s PRO 788 Ca 0.05 1.49 0.23 0.00 0.02 0.00 0.00 61.00 62.78 1f2t s PRO 788 Cb -0.07 -1.91 0.99 0.00 0.02 0.00 0.00 34.50 33.54 1f2t s PRO 788 CO 0.03 -1.49 1.69 1.28 -0.33 0.00 0.00 177.00 178.18 1f2t n LEU 789 N -2.63 0.63 0.18 -5.54 4.77 -1.26 -2.32 117.00 110.83 1f2t n LEU 789 Ca 0.11 0.68 0.13 0.00 -0.03 0.00 0.00 56.01 56.90 1f2t n LEU 789 Cb 0.52 -0.61 0.62 0.00 -2.33 0.00 0.00 43.42 41.61 1f2t n LEU 789 CO 0.48 -0.61 0.89 0.71 -1.33 0.00 0.00 177.39 177.53 1f2t h THR 790 N 0.00 0.00 -0.00 -5.08 1.35 -1.99 -1.64 112.91 105.55 1f2t h THR 790 Ca 0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1f2t h THR 790 Cb 0.30 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1f2t h THR 790 CO 0.00 0.00 -0.11 0.49 -0.25 0.00 0.00 175.52 175.65 1f2t n PHE 791 N -2.41 0.00 -2.75 4.73 3.72 -0.98 -4.84 117.46 114.92 1f2t n PHE 791 Ca 0.00 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.01 1f2t n PHE 791 Cb 0.14 -0.38 -0.06 0.00 -0.94 0.00 0.00 39.48 38.24 1f2t n PHE 791 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1f2t s LEU 792 N -2.87 4.52 0.92 4.37 1.43 -0.62 -5.05 118.68 121.38 1f2t s LEU 792 Ca 0.17 1.91 -0.12 0.00 -1.03 0.00 0.00 54.13 55.07 1f2t s LEU 792 Cb 0.19 -3.77 0.14 0.00 0.03 0.00 0.00 46.19 42.78 1f2t s LEU 792 CO 0.54 0.06 1.13 -0.94 0.23 0.00 0.00 176.35 177.37 1f2t s SER 793 N -1.35 3.43 0.24 2.29 1.04 -1.26 -4.80 113.70 113.29 1f2t s SER 793 Ca 0.45 1.01 -0.07 0.00 0.48 0.00 0.00 55.95 57.82 1f2t s SER 793 Cb -0.23 -1.60 0.23 0.00 0.10 0.00 0.00 66.02 64.52 1f2t s SER 793 CO 0.29 -2.60 1.90 1.23 0.98 0.00 0.00 173.24 175.03 1f2t h GLY 794 N -1.53 1.37 1.34 7.32 0.00 -1.96 -0.32 103.07 109.28 1f2t h GLY 794 Ca -0.51 -0.55 -0.07 0.00 0.00 0.00 0.00 47.33 46.20 1f2t h GLY 794 CO 0.61 0.54 0.02 -1.33 0.00 0.00 0.00 176.54 176.38 1f2t h GLY 795 N 1.31 0.87 1.89 4.60 0.00 -1.93 -2.54 103.07 107.27 1f2t h GLY 795 Ca 0.34 -0.57 -0.10 0.00 0.00 0.00 0.00 47.33 47.00 1f2t h GLY 795 CO -0.07 0.53 -0.45 0.83 0.00 0.00 0.00 176.54 177.38 1f2t h GLU 796 N 0.76 0.12 -0.39 4.80 5.08 -1.68 -2.13 114.58 121.14 1f2t h GLU 796 Ca 0.15 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1f2t h GLU 796 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1f2t h GLU 796 CO 0.02 0.55 -0.01 0.00 -1.00 0.00 0.00 179.01 178.57 1f2t h ARG 797 N 0.10 0.69 -0.24 2.33 3.08 -0.69 -0.49 114.38 119.16 1f2t h ARG 797 Ca 0.01 -0.23 -0.12 0.00 0.07 0.00 0.00 59.98 59.71 1f2t h ARG 797 Cb 0.83 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 1f2t h ARG 797 CO 0.06 0.79 -0.34 0.97 -1.07 0.00 0.00 179.97 180.39 1f2t h ILE 798 N 0.52 1.29 -0.77 2.04 2.10 -1.39 -1.23 117.51 120.07 1f2t h ILE 798 Ca 0.11 -1.45 -0.04 0.00 1.08 0.00 0.00 64.86 64.56 1f2t h ILE 798 Cb 0.49 1.47 -0.03 0.00 -1.09 0.00 0.00 36.82 37.65 1f2t h ILE 798 CO 0.02 0.46 0.31 0.00 -1.08 0.00 0.00 178.15 177.86 1f2t h ALA 799 N 1.20 1.00 -0.23 0.18 0.00 -1.19 -0.91 119.26 119.30 1f2t h ALA 799 Ca 0.05 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1f2t h ALA 799 Cb 0.80 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1f2t h ALA 799 CO 0.07 0.62 -0.06 1.25 0.00 0.00 0.00 179.25 181.12 1f2t h LEU 800 N 1.11 0.45 -0.58 0.00 5.85 -0.78 0.12 115.31 121.49 1f2t h LEU 800 Ca 0.26 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 1f2t h LEU 800 Cb 0.21 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1f2t h LEU 800 CO -0.02 0.72 0.29 1.23 -0.34 0.00 0.00 178.44 180.32 1f2t h GLY 801 N 0.18 0.88 0.98 3.75 0.00 -1.04 -0.44 103.07 107.38 1f2t h GLY 801 Ca 0.06 -0.42 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 1f2t h GLY 801 CO 0.02 0.40 -0.05 1.41 0.00 0.00 0.00 176.54 178.33 1f2t h LEU 802 N 0.78 0.78 -0.87 3.11 3.38 -1.12 -1.85 115.31 119.53 1f2t h LEU 802 Ca 0.20 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1f2t h LEU 802 Cb 0.09 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1f2t h LEU 802 CO -0.03 0.93 0.52 0.00 0.09 0.00 0.00 178.44 179.95 1f2t h ALA 803 N 0.88 1.11 -0.56 1.53 0.00 -0.33 -0.65 119.26 121.25 1f2t h ALA 803 Ca 0.12 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1f2t h ALA 803 Cb 0.56 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1f2t h ALA 803 CO 0.03 0.58 -0.06 0.35 0.00 0.00 0.00 179.25 180.15 1f2t h PHE 804 N 1.20 1.14 -0.48 0.00 3.57 -0.95 0.84 116.94 122.25 1f2t h PHE 804 Ca 0.31 -0.22 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 1f2t h PHE 804 Cb -0.03 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.40 1f2t h PHE 804 CO 0.00 1.04 0.07 0.00 -2.23 0.00 0.00 178.31 177.19 1f2t h ARG 805 N 0.91 0.81 -0.61 1.11 2.47 -0.82 0.16 114.38 118.41 1f2t h ARG 805 Ca 0.15 -0.22 -0.07 0.00 -1.26 0.00 0.00 59.98 58.59 1f2t h ARG 805 Cb 0.62 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.82 1f2t h ARG 805 CO 0.04 0.81 0.12 -0.07 0.56 0.00 0.00 179.97 181.43 1f2t h LEU 806 N 0.68 0.92 -0.78 3.04 3.38 -1.02 -0.86 115.31 120.66 1f2t h LEU 806 Ca 0.15 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1f2t h LEU 806 Cb 0.40 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1f2t h LEU 806 CO 0.01 0.91 0.36 0.00 0.09 0.00 0.00 178.44 179.81 1f2t h ALA 807 N 1.20 1.01 -0.30 1.53 0.00 -0.35 -1.97 119.26 120.38 1f2t h ALA 807 Ca 0.19 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1f2t h ALA 807 Cb 0.37 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1f2t h ALA 807 CO 0.01 0.60 -0.12 0.52 0.00 0.00 0.00 179.25 180.25 1f2t h MET 808 N 1.12 0.52 -0.40 0.00 2.86 -0.48 0.64 114.93 119.19 1f2t h MET 808 Ca 0.27 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 1f2t h MET 808 Cb 0.15 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1f2t h MET 808 CO -0.03 0.64 0.16 1.03 1.06 0.00 0.00 176.91 179.77 1f2t h SER 809 N 0.48 0.56 -0.60 1.22 0.87 -0.70 -0.33 113.55 115.04 1f2t h SER 809 Ca 0.09 -0.17 -0.05 0.00 -1.23 0.00 0.00 61.79 60.43 1f2t h SER 809 Cb 0.50 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 1f2t h SER 809 CO 0.03 0.57 0.17 -0.07 -0.53 0.00 0.00 176.83 177.00 1f2t h LEU 810 N 0.51 0.89 -0.68 2.23 3.38 -0.95 0.16 115.31 120.85 1f2t h LEU 810 Ca 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1f2t h LEU 810 Cb 0.19 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1f2t h LEU 810 CO -0.01 0.88 0.38 0.22 0.09 0.00 0.00 178.44 180.00 1f2t h TYR 811 N 0.86 0.93 0.00 1.13 3.20 -0.64 0.89 116.97 123.33 1f2t h TYR 811 Ca 0.19 -0.02 -0.24 0.00 3.14 0.00 0.00 58.73 61.80 1f2t h TYR 811 Cb 0.32 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 1f2t h TYR 811 CO 0.02 0.65 -1.76 1.28 -1.64 0.00 0.00 178.16 176.72 1f2t n LEU 812 N -4.52 0.62 0.00 2.82 4.77 -0.16 -4.51 117.00 116.02 1f2t n LEU 812 Ca 0.05 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1f2t n LEU 812 Cb 0.08 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1f2t n LEU 812 CO 0.37 0.29 0.10 0.00 -1.33 0.00 0.00 177.39 176.82 1f2t n ALA 813 N -2.51 2.16 -0.84 -1.18 0.00 0.54 -5.02 120.51 113.66 1f2t n ALA 813 Ca -0.17 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1f2t n ALA 813 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.41 1f2t n ALA 813 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f2t n GLY 814 N 0.59 0.76 3.86 0.00 0.00 0.30 -4.91 105.19 105.80 1f2t n GLY 814 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1f2t n GLY 814 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1f2t s GLU 815 N -0.27 1.42 -0.32 1.61 -1.05 -1.26 -4.92 118.70 113.91 1f2t s GLU 815 Ca 0.00 -0.90 -0.01 0.00 -0.15 0.00 0.00 54.97 53.90 1f2t s GLU 815 Cb 0.00 0.41 0.10 0.00 -0.44 0.00 0.00 34.13 34.20 1f2t s GLU 815 CO 0.00 -0.67 0.12 0.42 0.95 0.00 0.00 175.26 176.09 1f2t s ILE 816 N -2.31 0.68 -0.20 1.83 1.01 -1.26 -4.21 121.20 116.75 1f2t s ILE 816 Ca 0.20 -1.38 0.13 0.00 0.00 0.00 0.00 60.65 59.61 1f2t s ILE 816 Cb -0.03 -1.52 -0.23 0.00 0.01 0.00 0.00 42.46 40.69 1f2t s ILE 816 CO 0.06 -0.72 0.07 -1.54 0.00 0.00 0.00 174.94 172.80 1f2t n SER 817 N 4.78 0.57 -3.80 3.58 3.41 -1.26 -4.51 113.62 116.39 1f2t n SER 817 Ca -0.01 0.01 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 1f2t n SER 817 Cb 0.41 0.54 -0.15 0.00 -0.26 0.00 0.00 64.21 64.76 1f2t n SER 817 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1f2t s LEU 818 N -5.81 1.34 -0.07 1.04 2.96 -1.26 -2.13 118.68 114.75 1f2t s LEU 818 Ca -0.15 0.06 0.00 0.00 -0.22 0.00 0.00 54.13 53.83 1f2t s LEU 818 Cb 0.07 0.02 0.02 0.00 0.50 0.00 0.00 46.19 46.80 1f2t s LEU 818 CO 0.78 -0.09 -0.06 -0.22 -1.32 0.00 0.00 176.35 175.44 1f2t s LEU 819 N 0.71 1.20 -0.13 -0.68 2.96 -0.85 -5.03 118.68 116.85 1f2t s LEU 819 Ca -0.06 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.68 1f2t s LEU 819 Cb -0.08 -0.61 0.00 0.00 0.50 0.00 0.00 46.19 46.00 1f2t s LEU 819 CO -0.02 -0.08 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.09 1f2t s ILE 820 N 1.28 2.27 -0.09 6.68 1.01 -1.26 -0.42 121.20 130.66 1f2t s ILE 820 Ca -0.05 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.71 1f2t s ILE 820 Cb -0.14 -1.91 0.01 0.00 0.01 0.00 0.00 42.46 40.43 1f2t s ILE 820 CO -0.02 0.54 -0.16 -0.76 0.00 0.00 0.00 174.94 174.54 1f2t s LEU 821 N 0.66 1.76 -0.27 2.97 1.02 0.37 -4.97 118.68 120.22 1f2t s LEU 821 Ca -0.10 -0.41 -0.07 0.00 0.02 0.00 0.00 54.13 53.57 1f2t s LEU 821 Cb -0.16 -1.06 -0.01 0.00 0.02 0.00 0.00 46.19 44.97 1f2t s LEU 821 CO 0.02 0.05 0.08 -0.62 0.02 0.00 0.00 176.35 175.89 1f2t s ASP 822 N 0.77 5.12 -0.98 2.29 2.15 -1.26 -0.88 116.67 123.89 1f2t s ASP 822 Ca -0.11 -0.39 -0.18 0.00 0.43 0.00 0.00 52.55 52.29 1f2t s ASP 822 Cb -0.16 -1.91 0.02 0.00 -0.30 0.00 0.00 42.92 40.58 1f2t s ASP 822 CO 0.02 -0.10 0.61 1.21 -0.17 0.00 0.00 175.17 176.74 1f2t n GLU 823 N 4.91 -0.81 0.24 4.34 4.07 0.23 -4.82 120.64 128.79 1f2t n GLU 823 Ca -0.16 0.34 0.16 0.00 -0.06 0.00 0.00 57.16 57.45 1f2t n GLU 823 Cb 0.50 -2.17 0.85 0.00 -0.06 0.00 0.00 31.44 30.56 1f2t n GLU 823 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1f2t h PRO 824 N -1.36 0.00 -5.95 5.31 0.13 -1.84 -3.43 132.00 124.86 1f2t h PRO 824 Ca -0.65 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 63.95 1f2t h PRO 824 Cb 1.33 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.30 1f2t h PRO 824 CO 0.42 0.00 -0.77 0.95 -0.23 0.00 0.00 178.00 178.38 1f2t s THR 825 N -3.79 1.98 0.66 1.56 -4.23 -1.26 -5.02 115.64 105.55 1f2t s THR 825 Ca -0.03 -2.12 -0.13 0.00 -1.18 0.00 0.00 61.69 58.23 1f2t s THR 825 Cb 0.09 -2.02 -0.00 0.00 1.34 0.00 0.00 72.50 71.91 1f2t s THR 825 CO 0.32 -0.40 1.07 -2.16 -0.54 0.00 0.00 174.62 172.91 1f2t s PRO 826 N -3.18 2.98 -0.27 3.99 0.04 -1.26 -4.89 135.00 132.41 1f2t s PRO 826 Ca 0.21 1.13 -0.36 0.00 0.04 0.00 0.00 61.00 62.02 1f2t s PRO 826 Cb -0.04 -1.99 -0.12 0.00 0.04 0.00 0.00 34.50 32.38 1f2t s PRO 826 CO 0.09 -1.08 2.00 0.98 0.04 0.00 0.00 177.00 179.03 1f2t n TYR 827 N -2.68 1.91 -2.01 0.56 9.36 -1.26 -1.86 117.16 121.17 1f2t n TYR 827 Ca 0.08 0.27 -0.18 0.00 3.32 0.00 0.00 57.90 61.39 1f2t n TYR 827 Cb 0.53 -2.55 -0.04 0.00 -0.63 0.00 0.00 39.34 36.66 1f2t n TYR 827 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1f2t n LEU 828 N 7.93 -1.62 -4.63 2.98 4.77 -1.26 -4.96 117.00 120.22 1f2t n LEU 828 Ca 0.33 0.17 -0.43 0.00 -0.03 0.00 0.00 56.01 56.05 1f2t n LEU 828 Cb 0.22 -2.60 -0.02 0.00 -2.33 0.00 0.00 43.42 38.69 1f2t n LEU 828 CO 0.77 -0.50 1.13 -0.62 -1.33 0.00 0.00 177.39 176.83 1f2t s ASP 829 N -2.44 6.65 -0.02 -1.43 -1.08 -0.78 -4.91 116.67 112.67 1f2t s ASP 829 Ca 0.00 1.13 -0.24 0.00 -0.52 0.00 0.00 52.55 52.92 1f2t s ASP 829 Cb 0.00 -2.54 -0.19 0.00 -1.46 0.00 0.00 42.92 38.73 1f2t s ASP 829 CO 0.00 -1.11 1.22 -0.08 0.52 0.00 0.00 175.17 175.72 1f2t h GLU 830 N 9.36 0.13 -0.78 4.34 4.22 -1.92 -2.76 114.58 127.16 1f2t h GLU 830 Ca -0.26 -0.08 0.03 0.00 0.08 0.00 0.00 59.36 59.12 1f2t h GLU 830 Cb 1.09 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.31 1f2t h GLU 830 CO 1.04 0.66 0.50 1.05 -2.18 0.00 0.00 179.01 180.08 1f2t h GLU 831 N -0.38 0.96 0.00 1.92 4.11 -1.97 -0.70 114.58 118.51 1f2t h GLU 831 Ca 0.00 -0.06 -0.08 0.00 0.07 0.00 0.00 59.36 59.30 1f2t h GLU 831 Cb 0.66 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1f2t h GLU 831 CO 0.02 0.63 -0.37 0.00 0.07 0.00 0.00 179.01 179.36 1f2t h ARG 832 N 0.98 0.00 0.06 1.06 3.08 -1.84 -2.80 114.38 114.94 1f2t h ARG 832 Ca 0.31 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.35 1f2t h ARG 832 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1f2t h ARG 832 CO -0.10 0.37 -0.03 -0.09 -1.07 0.00 0.00 179.97 179.05 1f2t h ARG 833 N 0.00 -0.08 -0.78 0.04 2.43 -0.83 -0.65 114.38 114.51 1f2t h ARG 833 Ca -0.00 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1f2t h ARG 833 Cb 0.70 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.23 1f2t h ARG 833 CO 0.05 0.03 0.50 -0.09 -1.51 0.00 0.00 179.97 178.95 1f2t h ARG 834 N -0.18 0.98 -0.45 0.20 2.43 -1.32 -0.59 114.38 115.46 1f2t h ARG 834 Ca -0.01 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 58.97 1f2t h ARG 834 Cb 0.15 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1f2t h ARG 834 CO 0.01 0.65 -0.22 -0.22 -1.51 0.00 0.00 179.97 178.68 1f2t h LYS 835 N 1.01 0.94 -0.86 0.20 1.63 -1.39 -2.37 116.57 115.72 1f2t h LYS 835 Ca 0.30 -0.41 -0.01 0.00 -0.85 0.00 0.00 60.65 59.67 1f2t h LYS 835 Cb -0.05 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.51 1f2t h LYS 835 CO -0.09 1.08 0.48 1.25 -3.45 0.00 0.00 179.45 178.72 1f2t h LEU 836 N 0.78 1.07 -0.40 5.20 5.85 -0.54 -0.63 115.31 126.65 1f2t h LEU 836 Ca 0.10 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1f2t h LEU 836 Cb 0.80 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1f2t h LEU 836 CO 0.07 0.85 0.20 0.40 -0.34 0.00 0.00 178.44 179.62 1f2t h ILE 837 N 1.21 1.17 -0.82 4.05 2.04 -1.00 0.20 117.51 124.35 1f2t h ILE 837 Ca 0.31 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.72 1f2t h ILE 837 Cb 0.01 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 1f2t h ILE 837 CO -0.05 0.18 0.53 0.74 0.00 0.00 0.00 178.15 179.55 1f2t h THR 838 N 0.51 1.21 -0.39 -0.27 2.02 -0.86 -0.79 112.91 114.34 1f2t h THR 838 Ca 0.14 -0.41 -0.10 0.00 0.77 0.00 0.00 66.41 66.81 1f2t h THR 838 Cb 0.10 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.51 1f2t h THR 838 CO -0.02 0.21 -0.16 0.40 0.37 0.00 0.00 175.52 176.32 1f2t h ILE 839 N 1.11 1.26 -0.30 3.11 2.04 -0.61 -0.69 117.51 123.43 1f2t h ILE 839 Ca 0.30 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 1f2t h ILE 839 Cb -0.11 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1f2t h ILE 839 CO -0.06 0.41 0.12 0.24 0.00 0.00 0.00 178.15 178.85 1f2t h MET 840 N 0.64 0.45 -0.37 2.37 2.86 -0.16 -0.04 114.93 120.68 1f2t h MET 840 Ca 0.10 -0.08 -0.12 0.00 -2.06 0.00 0.00 59.70 57.54 1f2t h MET 840 Cb 0.63 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 1f2t h MET 840 CO 0.04 0.47 -0.22 0.93 1.06 0.00 0.00 176.91 179.19 1f2t h GLU 841 N 0.33 0.81 0.00 1.72 5.08 -0.94 -2.23 114.58 119.36 1f2t h GLU 841 Ca 0.10 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1f2t h GLU 841 Cb 0.19 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1f2t h GLU 841 CO -0.01 1.00 -1.58 0.54 -1.00 0.00 0.00 179.01 177.97 1f2t n ARG 842 N -4.23 0.64 0.02 2.33 1.74 -0.29 -4.62 116.66 112.25 1f2t n ARG 842 Ca -0.02 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1f2t n ARG 842 Cb 0.44 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 1f2t n ARG 842 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1f2t n TYR 843 N -2.49 -0.29 0.18 -1.55 4.19 -0.18 -4.84 117.16 112.17 1f2t n TYR 843 Ca -0.04 0.05 0.06 0.00 3.31 0.00 0.00 57.90 61.29 1f2t n TYR 843 Cb 0.60 0.22 0.56 0.00 0.49 0.00 0.00 39.34 41.21 1f2t n TYR 843 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 1f2t h LEU 844 N 0.00 0.15 -1.96 2.98 3.38 -1.18 -1.78 115.31 116.90 1f2t h LEU 844 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1f2t h LEU 844 Cb 0.43 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1f2t h LEU 844 CO 0.00 0.13 0.00 0.11 0.09 0.00 0.00 178.44 178.77 1f2t h LYS 845 N 0.17 0.00 -0.00 1.13 1.57 -1.63 -1.93 116.57 115.87 1f2t h LYS 845 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1f2t h LYS 845 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1f2t h LYS 845 CO -0.01 0.00 -0.30 1.63 -0.57 0.00 0.00 179.45 180.20 1f2t n LYS 846 N -2.68 0.38 -2.91 3.15 5.02 -0.67 -4.84 118.16 115.62 1f2t n LYS 846 Ca -0.01 -0.19 -0.40 0.00 -2.02 0.00 0.00 58.31 55.69 1f2t n LYS 846 Cb 0.10 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.56 1f2t n LYS 846 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1f2t s ILE 847 N -2.75 4.34 0.25 -0.18 1.01 -0.73 -4.96 121.20 118.18 1f2t s ILE 847 Ca 0.19 1.81 -0.04 0.00 0.00 0.00 0.00 60.65 62.61 1f2t s ILE 847 Cb 0.19 -4.19 0.26 0.00 0.01 0.00 0.00 42.46 38.72 1f2t s ILE 847 CO 0.59 0.49 1.67 -0.65 0.00 0.00 0.00 174.94 177.04 1f2t h PRO 848 N 4.48 0.23 -3.04 2.79 0.11 -1.79 -3.41 132.00 131.37 1f2t h PRO 848 Ca -0.46 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.46 1f2t h PRO 848 Cb 1.20 -0.05 -0.28 0.00 0.11 0.00 0.00 31.00 31.99 1f2t h PRO 848 CO 0.67 0.15 -0.45 -1.14 -0.21 0.00 0.00 178.00 177.03 1f2t s GLN 849 N -6.03 0.26 -0.04 1.05 0.74 -0.91 -5.05 119.66 109.67 1f2t s GLN 849 Ca -0.13 0.47 0.03 0.00 0.05 0.00 0.00 55.36 55.78 1f2t s GLN 849 Cb 0.22 -0.00 0.00 0.00 1.10 0.00 0.00 33.01 34.34 1f2t s GLN 849 CO 0.76 -0.11 -0.12 0.08 -0.55 0.00 0.00 175.29 175.35 1f2t s VAL 850 N 0.79 1.09 -0.27 1.34 1.01 -1.26 -2.01 120.40 121.08 1f2t s VAL 850 Ca -0.05 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1f2t s VAL 850 Cb -0.07 -0.97 0.06 0.00 0.00 0.00 0.00 36.38 35.41 1f2t s VAL 850 CO -0.05 0.33 -0.07 -0.63 0.00 0.00 0.00 175.10 174.68 1f2t s ILE 851 N 0.31 2.35 -0.28 2.22 1.01 0.44 -4.97 121.20 122.29 1f2t s ILE 851 Ca -0.07 -1.64 -0.04 0.00 0.00 0.00 0.00 60.65 58.90 1f2t s ILE 851 Cb -0.12 -2.41 0.02 0.00 0.01 0.00 0.00 42.46 39.97 1f2t s ILE 851 CO 0.02 -0.09 0.02 -0.22 0.00 0.00 0.00 174.94 174.67 1f2t s LEU 852 N 1.12 3.64 -0.25 2.97 0.20 -1.26 -0.48 118.68 124.61 1f2t s LEU 852 Ca -0.07 -0.86 -0.11 0.00 0.69 0.00 0.00 54.13 53.79 1f2t s LEU 852 Cb -0.20 -1.78 -0.05 0.00 -0.43 0.00 0.00 46.19 43.73 1f2t s LEU 852 CO -0.04 -0.18 0.17 -0.69 -0.29 0.00 0.00 176.35 175.31 1f2t s VAL 853 N 1.40 5.31 0.10 1.68 1.01 -0.06 -4.99 120.40 124.85 1f2t s VAL 853 Ca 0.01 0.16 -0.18 0.00 0.00 0.00 0.00 61.98 61.97 1f2t s VAL 853 Cb -0.17 -3.49 0.04 0.00 0.00 0.00 0.00 36.38 32.75 1f2t s VAL 853 CO -0.01 0.32 0.43 -0.55 0.00 0.00 0.00 175.10 175.29 1f2t s SER 854 N 1.27 -0.29 0.16 3.32 0.15 -1.26 -0.60 113.70 116.45 1f2t s SER 854 Ca 0.07 -0.16 0.24 0.00 0.70 0.00 0.00 55.95 56.81 1f2t s SER 854 Cb -0.14 0.47 0.44 0.00 -1.71 0.00 0.00 66.02 65.07 1f2t s SER 854 CO 0.06 -0.80 1.43 1.12 1.20 0.00 0.00 173.24 176.25 1f2t h HIS 855 N 2.56 0.00 -2.99 3.44 2.07 -1.97 -3.46 115.15 114.79 1f2t h HIS 855 Ca -0.33 0.00 -0.55 0.00 -2.85 0.00 0.00 60.37 56.64 1f2t h HIS 855 Cb 1.24 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 31.15 1f2t h HIS 855 CO 0.34 0.00 1.01 0.34 -3.07 0.00 0.00 177.93 176.55 1f2t s ASP 856 N -4.44 6.36 0.56 3.10 2.15 -1.26 -4.89 116.67 118.25 1f2t s ASP 856 Ca 0.07 0.03 0.29 0.00 0.43 0.00 0.00 52.55 53.37 1f2t s ASP 856 Cb 0.13 -2.55 1.69 0.00 -0.30 0.00 0.00 42.92 41.88 1f2t s ASP 856 CO 0.69 -1.58 2.18 -0.33 -0.17 0.00 0.00 175.17 175.97 1f2t h GLU 857 N 9.82 0.00 0.00 4.34 4.39 -2.05 -2.18 114.58 128.90 1f2t h GLU 857 Ca -0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1f2t h GLU 857 Cb 1.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1f2t h GLU 857 CO 1.20 0.05 0.00 0.39 -1.16 0.00 0.00 179.01 179.49 1f2t n GLU 858 N -3.72 0.18 0.00 2.33 -0.58 -1.26 -2.55 120.64 115.05 1f2t n GLU 858 Ca -0.02 0.13 0.13 0.00 -0.42 0.00 0.00 57.16 56.98 1f2t n GLU 858 Cb 0.15 -1.50 0.47 0.00 -0.57 0.00 0.00 31.44 29.99 1f2t n GLU 858 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1f2t n LEU 859 N -1.36 0.72 -0.17 -4.62 4.77 -0.82 -4.35 117.00 111.16 1f2t n LEU 859 Ca 0.08 -0.10 -0.04 0.00 -0.03 0.00 0.00 56.01 55.92 1f2t n LEU 859 Cb 0.18 -0.17 0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1f2t n LEU 859 CO 0.16 0.14 1.02 0.11 -1.33 0.00 0.00 177.39 177.48 1f2t h LYS 860 N 0.79 0.47 0.00 3.23 1.57 -1.69 -2.66 116.57 118.29 1f2t h LYS 860 Ca 0.00 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1f2t h LYS 860 Cb 0.45 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 1f2t h LYS 860 CO 0.00 0.31 -0.10 -0.44 -0.57 0.00 0.00 179.45 178.65 1f2t h ASP 861 N 0.49 0.00 0.22 0.86 3.32 -1.85 -2.05 116.42 117.42 1f2t h ASP 861 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1f2t h ASP 861 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1f2t h ASP 861 CO -0.18 0.10 -0.21 0.00 -1.72 0.00 0.00 179.24 177.23 1f2t n ALA 862 N -2.25 2.98 -2.40 3.45 0.00 -1.01 -4.90 120.51 116.37 1f2t n ALA 862 Ca -0.02 -0.39 -0.23 0.00 0.00 0.00 0.00 53.44 52.80 1f2t n ALA 862 Cb 0.23 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1f2t n ALA 862 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f2t s ALA 863 N -2.44 3.72 -0.10 0.00 0.00 -0.77 -4.65 121.76 117.52 1f2t s ALA 863 Ca 0.26 -0.99 0.15 0.00 0.00 0.00 0.00 51.96 51.39 1f2t s ALA 863 Cb 0.20 -2.16 -0.23 0.00 0.00 0.00 0.00 23.12 20.92 1f2t s ALA 863 CO 0.49 -0.29 0.50 -0.25 0.00 0.00 0.00 175.76 176.21 1f2t n ASP 864 N -2.02 0.60 -3.83 0.00 8.00 -1.26 -4.94 116.55 113.09 1f2t n ASP 864 Ca -0.00 0.28 -0.12 0.00 0.71 0.00 0.00 54.79 55.66 1f2t n ASP 864 Cb 0.57 0.31 -0.13 0.00 -0.02 0.00 0.00 41.12 41.85 1f2t n ASP 864 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1f2t s HIS 865 N -2.62 -0.12 -0.08 1.24 3.76 -1.26 -4.99 115.29 111.22 1f2t s HIS 865 Ca -0.06 0.29 0.02 0.00 -0.15 0.00 0.00 55.06 55.16 1f2t s HIS 865 Cb 0.08 0.04 0.01 0.00 1.11 0.00 0.00 32.58 33.82 1f2t s HIS 865 CO 0.83 -0.07 -0.15 0.08 -0.85 0.00 0.00 174.74 174.58 1f2t s VAL 866 N 0.02 1.41 -0.06 -0.90 1.01 -0.58 -4.95 120.40 116.36 1f2t s VAL 866 Ca -0.00 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.38 1f2t s VAL 866 Cb -0.01 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 35.10 1f2t s VAL 866 CO 0.00 0.42 -0.15 -0.63 0.00 0.00 0.00 175.10 174.74 1f2t s ILE 867 N 0.71 1.34 -0.14 2.22 1.01 -1.26 -0.58 121.20 124.51 1f2t s ILE 867 Ca -0.13 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 59.86 1f2t s ILE 867 Cb -0.16 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 1f2t s ILE 867 CO 0.03 0.40 -0.05 -0.60 0.00 0.00 0.00 174.94 174.72 1f2t s ARG 868 N 0.35 3.47 -0.12 2.79 6.06 0.05 -4.94 118.95 126.61 1f2t s ARG 868 Ca -0.10 -0.53 0.03 0.00 -2.50 0.00 0.00 55.73 52.63 1f2t s ARG 868 Cb -0.14 -2.84 0.00 0.00 0.06 0.00 0.00 34.95 32.03 1f2t s ARG 868 CO 0.04 0.34 -0.21 0.42 -2.50 0.00 0.00 175.30 173.38 1f2t s ILE 869 N 0.09 2.22 0.04 4.11 1.01 -1.26 -0.81 121.20 126.60 1f2t s ILE 869 Ca -0.01 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 59.70 1f2t s ILE 869 Cb -0.14 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 1f2t s ILE 869 CO 0.03 0.55 -0.05 -0.94 0.00 0.00 0.00 174.94 174.53 1f2t s SER 870 N 0.53 0.59 -0.25 3.58 1.04 -0.63 -4.94 113.70 113.63 1f2t s SER 870 Ca -0.13 -0.63 -0.25 0.00 0.48 0.00 0.00 55.95 55.41 1f2t s SER 870 Cb -0.17 0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.04 1f2t s SER 870 CO 0.05 -0.32 0.86 -0.22 0.98 0.00 0.00 173.24 174.59 1f2t s LEU 871 N -1.85 4.08 -0.08 2.42 2.96 -1.26 -0.49 118.68 124.46 1f2t s LEU 871 Ca -0.08 1.06 -0.01 0.00 -0.22 0.00 0.00 54.13 54.88 1f2t s LEU 871 Cb -0.06 -3.24 0.03 0.00 0.50 0.00 0.00 46.19 43.41 1f2t s LEU 871 CO -0.02 -0.56 -0.04 -1.61 -1.32 0.00 0.00 176.35 172.81 1f2t s GLU 872 N 2.93 1.00 -1.55 1.98 0.41 0.17 -4.78 118.70 118.86 1f2t s GLU 872 Ca 0.36 -0.07 -0.14 0.00 -0.41 0.00 0.00 54.97 54.71 1f2t s GLU 872 Cb -0.15 -1.18 0.10 0.00 -1.78 0.00 0.00 34.13 31.11 1f2t s GLU 872 CO 0.08 -0.24 0.95 -1.71 -0.49 0.00 0.00 175.26 173.84 1f2t n ASN 873 N 4.85 -4.65 0.00 -0.19 4.05 -1.26 -1.74 115.26 116.32 1f2t n ASN 873 Ca -0.12 -0.79 0.00 0.00 0.45 0.00 0.00 54.58 54.12 1f2t n ASN 873 Cb 0.50 -3.72 0.00 0.00 1.23 0.00 0.00 39.78 37.79 1f2t n ASN 873 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1f2t n GLY 874 N -1.64 0.77 3.20 8.20 0.00 -1.26 -5.01 105.19 109.45 1f2t n GLY 874 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 1f2t n GLY 874 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1f2t s SER 875 N -2.63 1.98 0.30 1.61 0.01 -0.71 -5.11 113.70 109.15 1f2t s SER 875 Ca 0.00 -0.57 -0.29 0.00 1.31 0.00 0.00 55.95 56.40 1f2t s SER 875 Cb 0.00 -0.11 -0.10 0.00 0.21 0.00 0.00 66.02 66.02 1f2t s SER 875 CO 0.00 0.02 1.21 -0.44 0.41 0.00 0.00 173.24 174.45 1f2t s SER 876 N -1.50 7.00 -0.07 2.44 0.01 -1.26 -0.66 113.70 119.65 1f2t s SER 876 Ca 0.02 2.49 0.02 0.00 1.31 0.00 0.00 55.95 59.79 1f2t s SER 876 Cb -0.09 -2.64 0.01 0.00 0.21 0.00 0.00 66.02 63.51 1f2t s SER 876 CO 0.02 -0.36 -0.13 -0.75 0.41 0.00 0.00 173.24 172.43 1f2t s LYS 877 N -1.54 1.84 -0.15 12.44 2.20 0.36 -4.88 119.74 130.00 1f2t s LYS 877 Ca 0.47 -0.45 -0.13 0.00 -0.36 0.00 0.00 55.97 55.50 1f2t s LYS 877 Cb -0.36 -1.52 -0.05 0.00 -1.51 0.00 0.00 37.83 34.39 1f2t s LYS 877 CO 0.47 0.02 0.27 0.08 -0.36 0.00 0.00 175.35 175.83 1f2t s VAL 878 N 0.72 5.31 -0.19 4.02 1.01 -1.26 -1.60 120.40 128.41 1f2t s VAL 878 Ca -0.13 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1f2t s VAL 878 Cb -0.16 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.66 1f2t s VAL 878 CO 0.03 0.42 -0.09 -0.70 0.00 0.00 0.00 175.10 174.77 1f2t s GLU 879 N 0.25 1.86 -0.30 2.72 2.12 0.01 -4.99 118.70 120.37 1f2t s GLU 879 Ca 0.16 -0.74 -0.29 0.00 0.36 0.00 0.00 54.97 54.46 1f2t s GLU 879 Cb -0.13 -2.29 0.01 0.00 0.26 0.00 0.00 34.13 31.99 1f2t s GLU 879 CO 0.04 -0.42 1.06 0.08 -0.54 0.00 0.00 175.26 175.47 1f2t s VAL 880 N 1.47 4.56 -0.13 3.70 1.01 -1.26 -0.77 120.40 128.98 1f2t s VAL 880 Ca -0.00 1.79 -0.10 0.00 0.00 0.00 0.00 61.98 63.67 1f2t s VAL 880 Cb -0.16 -4.38 -0.25 0.00 0.00 0.00 0.00 36.38 31.59 1f2t s VAL 880 CO -0.08 -0.40 0.37 0.58 0.00 0.00 0.00 175.10 175.56 1f2t h VAL 881 N 5.66 0.71 0.00 2.92 2.07 -1.20 -3.49 116.25 122.92 1f2t h VAL 881 Ca -0.20 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 64.99 1f2t h VAL 881 Cb 1.06 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 33.31 1f2t h VAL 881 CO 1.02 0.79 0.00 -1.54 0.02 0.00 0.00 177.57 177.85