#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b95 s MET 0 N 0.00 3.47 -0.22 -1.40 -2.45 -1.26 -5.07 119.30 112.37 3b95 s MET 0 Ca 0.00 -0.55 -0.04 0.00 -1.25 0.00 0.00 55.69 53.86 3b95 s MET 0 Cb 0.00 -2.83 -0.01 0.00 1.25 0.00 0.00 34.83 33.24 3b95 s MET 0 CO 0.00 0.36 -0.05 -0.80 1.05 0.00 0.00 175.02 175.58 3b95 s ASN 734 N -3.76 4.27 0.43 1.11 0.01 -1.26 -5.09 114.94 110.65 3b95 s ASN 734 Ca 0.36 -0.39 -0.25 0.00 -0.71 0.00 0.00 52.86 51.87 3b95 s ASN 734 Cb -0.10 -1.73 -0.08 0.00 0.41 0.00 0.00 41.25 39.75 3b95 s ASN 734 CO 0.31 -0.02 1.28 -0.36 -1.51 0.00 0.00 177.10 176.80 3b95 s PHE 735 N 1.45 2.80 -0.19 2.20 2.99 -1.26 -4.96 117.98 121.00 3b95 s PHE 735 Ca 0.05 1.44 -0.24 0.00 0.00 0.00 0.00 56.93 58.18 3b95 s PHE 735 Cb -0.14 -3.62 -0.02 0.00 0.00 0.00 0.00 43.02 39.24 3b95 s PHE 735 CO -0.03 -2.03 0.77 0.15 -0.00 0.00 0.00 175.22 174.08 3b95 s LYS 736 N -2.37 4.24 0.05 0.44 -0.14 -1.26 -5.03 119.74 115.68 3b95 s LYS 736 Ca 0.59 0.88 0.08 0.00 -1.36 0.00 0.00 55.97 56.16 3b95 s LYS 736 Cb -0.36 -3.59 -0.03 0.00 -1.68 0.00 0.00 37.83 32.17 3b95 s LYS 736 CO 0.46 -0.35 -0.23 -1.64 -0.76 0.00 0.00 175.35 172.84 3b95 s MET 737 N 2.24 1.52 0.00 1.68 -1.94 -1.26 -5.07 119.30 116.46 3b95 s MET 737 Ca 0.35 -1.02 0.00 0.00 -1.71 0.00 0.00 55.69 53.31 3b95 s MET 737 Cb -0.16 -1.67 0.00 0.00 2.01 0.00 0.00 34.83 35.01 3b95 s MET 737 CO 0.11 0.43 0.23 0.39 -0.01 0.00 0.00 175.02 176.16 3b95 n GLU 738 N 1.76 0.00 -3.83 2.03 1.02 -1.26 -4.67 120.64 115.70 3b95 n GLU 738 Ca -0.17 0.25 -0.28 0.00 -0.02 0.00 0.00 57.16 56.94 3b95 n GLU 738 Cb 0.53 -0.91 -0.12 0.00 -0.02 0.00 0.00 31.44 30.92 3b95 n GLU 738 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3b95 s HIS 739 N -0.97 3.04 0.26 -0.32 4.02 -1.26 -5.09 115.29 114.98 3b95 s HIS 739 Ca 0.00 -3.10 -0.29 0.00 1.02 0.00 0.00 55.06 52.69 3b95 s HIS 739 Cb 0.00 -2.43 -0.09 0.00 -1.02 0.00 0.00 32.58 29.04 3b95 s HIS 739 CO 0.00 -0.64 1.22 -1.14 1.02 0.00 0.00 174.74 175.20 3b95 s GLN 740 N -0.89 4.49 -0.36 1.40 0.74 -1.26 -4.95 119.66 118.82 3b95 s GLN 740 Ca 0.24 1.98 0.10 0.00 0.05 0.00 0.00 55.36 57.73 3b95 s GLN 740 Cb -0.09 -3.17 0.45 0.00 1.10 0.00 0.00 33.01 31.30 3b95 s GLN 740 CO -0.12 -0.04 1.10 0.27 -0.55 0.00 0.00 175.29 175.94 3b95 n ASN 741 N 1.59 3.80 -3.86 6.67 0.23 -1.25 -3.70 115.26 118.74 3b95 n ASN 741 Ca 0.02 -3.35 -0.17 0.00 -0.53 0.00 0.00 54.58 50.54 3b95 n ASN 741 Cb 0.44 -0.44 -0.16 0.00 -2.08 0.00 0.00 39.78 37.53 3b95 n ASN 741 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3b95 s LYS 742 N -3.51 0.42 0.23 -3.83 -0.14 -0.88 -3.01 119.74 109.02 3b95 s LYS 742 Ca 0.42 -0.00 -0.31 0.00 -1.36 0.00 0.00 55.97 54.72 3b95 s LYS 742 Cb 0.41 -0.53 -0.14 0.00 -1.68 0.00 0.00 37.83 35.89 3b95 s LYS 742 CO -0.07 -0.08 1.31 -2.13 -0.76 0.00 0.00 175.35 173.62 3b95 n ARG 743 N 3.91 1.75 -3.98 1.68 0.63 -1.26 -4.48 116.66 114.91 3b95 n ARG 743 Ca -0.24 0.62 -0.23 0.00 -0.92 0.00 0.00 57.85 57.08 3b95 n ARG 743 Cb 0.52 -2.22 -0.06 0.00 0.45 0.00 0.00 32.46 31.15 3b95 n ARG 743 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 3b95 s SER 744 N 0.15 4.63 0.42 6.15 1.04 -1.26 -5.01 113.70 119.82 3b95 s SER 744 Ca 0.69 -0.94 0.09 0.00 0.48 0.00 0.00 55.95 56.27 3b95 s SER 744 Cb -0.71 -0.55 0.91 0.00 0.10 0.00 0.00 66.02 65.77 3b95 s SER 744 CO 0.51 -0.52 2.04 -0.65 0.98 0.00 0.00 173.24 175.60 3b95 h PRO 745 N 1.35 0.37 -0.83 4.02 0.11 -2.00 -1.00 132.00 134.02 3b95 h PRO 745 Ca -0.43 -0.04 0.10 0.00 0.11 0.00 0.00 66.00 65.75 3b95 h PRO 745 Cb 1.26 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 3b95 h PRO 745 CO 0.66 0.30 0.54 1.25 -0.21 0.00 0.00 178.00 180.54 3b95 h LEU 746 N 0.37 0.69 0.44 2.35 6.46 -1.95 -0.26 115.31 123.41 3b95 h LEU 746 Ca 0.09 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.85 3b95 h LEU 746 Cb 0.07 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 39.88 3b95 h LEU 746 CO -0.01 0.41 -0.21 0.45 -0.62 0.00 0.00 178.44 178.45 3b95 h HIS 747 N 0.76 -0.54 -0.68 1.25 3.86 -1.56 0.10 115.15 118.34 3b95 h HIS 747 Ca 0.39 -0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.65 3b95 h HIS 747 Cb 0.47 0.18 -0.04 0.00 1.06 0.00 0.00 27.41 29.08 3b95 h HIS 747 CO -0.00 -0.30 0.45 0.00 0.86 0.00 0.00 177.93 178.94 3b95 h ALA 748 N -0.12 1.77 -0.15 2.45 0.00 -1.21 0.51 119.26 122.51 3b95 h ALA 748 Ca -0.06 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 3b95 h ALA 748 Cb 0.49 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.12 3b95 h ALA 748 CO 0.10 0.11 -0.62 0.00 0.00 0.00 0.00 179.25 178.84 3b95 h ALA 749 N 1.64 0.28 -0.12 0.00 0.00 -0.92 -2.22 119.26 117.92 3b95 h ALA 749 Ca 0.30 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3b95 h ALA 749 Cb 0.31 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3b95 h ALA 749 CO -0.10 0.54 0.05 0.00 0.00 0.00 0.00 179.25 179.75 3b95 h ALA 750 N 0.54 0.16 -0.32 0.00 0.00 -0.41 -1.61 119.26 117.61 3b95 h ALA 750 Ca -0.03 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.81 3b95 h ALA 750 Cb 1.25 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3b95 h ALA 750 CO 0.13 -0.25 0.22 1.49 0.00 0.00 0.00 179.25 180.83 3b95 h GLU 751 N 0.04 0.27 0.00 0.00 4.81 -0.94 -0.91 114.58 117.86 3b95 h GLU 751 Ca 0.04 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.13 3b95 h GLU 751 Cb 0.17 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3b95 h GLU 751 CO -0.00 0.18 -0.61 0.00 -0.73 0.00 0.00 179.01 177.85 3b95 h ALA 752 N 1.82 0.68 0.00 2.92 0.00 -1.15 -3.47 119.26 120.07 3b95 h ALA 752 Ca 0.13 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3b95 h ALA 752 Cb 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3b95 h ALA 752 CO -0.03 0.77 0.00 0.41 0.00 0.00 0.00 179.25 180.40 3b95 n GLY 753 N 0.96 0.65 3.55 0.00 0.00 -0.35 -5.00 105.19 105.00 3b95 n GLY 753 Ca 0.01 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 3b95 n GLY 753 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3b95 s HIS 754 N -2.00 2.18 0.16 1.61 5.04 -0.94 -4.59 115.29 116.75 3b95 s HIS 754 Ca 0.00 -0.03 -0.14 0.00 -1.54 0.00 0.00 55.06 53.35 3b95 s HIS 754 Cb 0.00 -4.50 0.04 0.00 0.04 0.00 0.00 32.58 28.17 3b95 s HIS 754 CO 0.00 -2.06 1.76 0.28 -2.34 0.00 0.00 174.74 172.38 3b95 h VAL 755 N 6.48 1.18 0.33 0.89 2.07 -1.93 -2.61 116.25 122.65 3b95 h VAL 755 Ca -0.13 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 3b95 h VAL 755 Cb 1.06 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3b95 h VAL 755 CO 1.30 0.19 -0.16 0.44 0.02 0.00 0.00 177.57 179.36 3b95 h ASP 756 N 0.66 -0.37 -0.61 0.57 5.19 -1.98 0.17 116.42 120.05 3b95 h ASP 756 Ca 0.17 -0.01 0.11 0.00 -0.62 0.00 0.00 57.03 56.68 3b95 h ASP 756 Cb 0.07 0.10 -0.04 0.00 0.18 0.00 0.00 39.33 39.64 3b95 h ASP 756 CO -0.03 -0.23 0.41 0.40 -3.12 0.00 0.00 179.24 176.67 3b95 h ILE 757 N -0.48 0.87 0.46 0.35 2.04 -1.96 0.17 117.51 118.97 3b95 h ILE 757 Ca -0.04 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 3b95 h ILE 757 Cb 0.36 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3b95 h ILE 757 CO 0.07 0.07 -0.22 0.00 0.00 0.00 0.00 178.15 178.07 3b95 h HIS 759 N -0.79 -0.71 -0.94 0.00 -0.00 0.32 0.13 115.15 113.17 3b95 h HIS 759 Ca -0.06 0.04 0.17 0.00 -0.00 0.00 0.00 60.37 60.51 3b95 h HIS 759 Cb 0.55 0.34 -0.10 0.00 -0.00 0.00 0.00 27.41 28.20 3b95 h HIS 759 CO -0.01 -0.34 0.53 0.52 -0.00 0.00 0.00 177.93 178.63 3b95 h MET 760 N -0.30 0.70 0.04 5.26 2.07 -0.68 0.39 114.93 122.40 3b95 h MET 760 Ca 0.12 -0.04 -0.00 0.00 -2.07 0.00 0.00 59.70 57.70 3b95 h MET 760 Cb 0.48 -0.16 0.00 0.00 -1.87 0.00 0.00 31.60 30.05 3b95 h MET 760 CO -0.36 0.46 -0.02 -0.07 1.07 0.00 0.00 176.91 178.00 3b95 h LEU 761 N 0.72 -0.04 -0.01 1.22 3.38 -0.41 -0.51 115.31 119.66 3b95 h LEU 761 Ca 0.52 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3b95 h LEU 761 Cb 0.76 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 3b95 h LEU 761 CO -0.37 0.41 -0.43 0.58 0.09 0.00 0.00 178.44 178.72 3b95 h VAL 762 N -0.50 0.14 -0.76 1.22 2.07 -0.05 -1.63 116.25 116.73 3b95 h VAL 762 Ca -0.00 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.69 3b95 h VAL 762 Cb 0.46 0.14 -0.12 0.00 -1.52 0.00 0.00 31.29 30.25 3b95 h VAL 762 CO 0.01 0.00 0.16 -0.61 0.02 0.00 0.00 177.57 177.15 3b95 h GLN 763 N -0.58 0.22 -0.33 1.57 5.75 -0.27 0.68 115.11 122.16 3b95 h GLN 763 Ca 0.05 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 3b95 h GLN 763 Cb 0.66 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.16 3b95 h GLN 763 CO -0.33 0.15 0.00 0.00 -2.65 0.00 0.00 178.83 176.00 3b95 n ALA 764 N -2.72 2.25 -0.01 3.38 0.00 -0.20 -4.83 120.51 118.38 3b95 n ALA 764 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3b95 n ALA 764 Cb 0.50 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.95 3b95 n ALA 764 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b95 n GLY 765 N 0.21 0.45 3.77 0.00 0.00 0.23 -4.78 105.19 105.06 3b95 n GLY 765 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3b95 n GLY 765 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b95 s ALA 766 N -2.03 3.61 -0.35 4.61 0.00 -0.69 -4.92 121.76 121.99 3b95 s ALA 766 Ca 0.00 1.48 -0.29 0.00 0.00 0.00 0.00 51.96 53.15 3b95 s ALA 766 Cb 0.00 -3.59 0.01 0.00 0.00 0.00 0.00 23.12 19.54 3b95 s ALA 766 CO 0.00 -0.92 1.34 1.21 0.00 0.00 0.00 175.76 177.39 3b95 s ASN 767 N 0.02 6.54 0.00 0.00 3.84 -1.26 -4.58 114.94 119.50 3b95 s ASN 767 Ca 0.56 1.04 0.03 0.00 0.21 0.00 0.00 52.86 54.69 3b95 s ASN 767 Cb -0.45 -2.54 0.13 0.00 -0.55 0.00 0.00 41.25 37.84 3b95 s ASN 767 CO 0.55 -1.22 0.90 0.00 -2.79 0.00 0.00 177.10 174.53 3b95 n ILE 768 N 6.56 1.08 -1.25 -5.21 3.06 -1.26 -2.51 119.36 119.82 3b95 n ILE 768 Ca 0.15 0.27 0.07 0.00 -2.50 0.00 0.00 62.75 60.74 3b95 n ILE 768 Cb 0.47 -1.23 0.10 0.00 0.54 0.00 0.00 39.64 39.53 3b95 n ILE 768 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 3b95 n ASP 769 N -1.29 1.76 -4.61 9.51 9.92 -1.26 -4.56 116.55 126.02 3b95 n ASP 769 Ca 0.01 -2.78 -0.39 0.00 -0.53 0.00 0.00 54.79 51.11 3b95 n ASP 769 Cb 0.02 -0.36 0.04 0.00 -0.64 0.00 0.00 41.12 40.18 3b95 n ASP 769 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 3b95 n THR 770 N -1.06 3.12 -4.22 -3.53 -1.04 -1.04 -4.86 114.28 101.66 3b95 n THR 770 Ca 0.12 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.05 61.30 3b95 n THR 770 Cb 0.64 -1.14 -0.08 0.00 -1.82 0.00 0.00 70.33 67.93 3b95 n THR 770 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3b95 n SER 772 N 1.29 0.51 -0.33 0.00 3.41 -0.79 -2.07 113.62 115.64 3b95 n SER 772 Ca -0.14 -1.57 0.03 0.00 -0.26 0.00 0.00 58.87 56.93 3b95 n SER 772 Cb 0.53 -0.59 0.18 0.00 -0.26 0.00 0.00 64.21 64.07 3b95 n SER 772 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3b95 h GLU 773 N 0.00 0.97 -0.97 4.33 3.07 -1.82 -0.69 114.58 119.46 3b95 h GLU 773 Ca -0.27 -0.06 -0.36 0.00 -0.50 0.00 0.00 59.36 58.17 3b95 h GLU 773 Cb 0.85 -0.22 -0.22 0.00 -0.84 0.00 0.00 28.75 28.32 3b95 h GLU 773 CO 0.23 0.64 0.46 -0.40 -1.40 0.00 0.00 179.01 178.54 3b95 n ASP 774 N -4.61 3.67 -3.54 1.42 5.75 -1.26 -4.93 116.55 113.05 3b95 n ASP 774 Ca 0.15 -3.19 -0.21 0.00 -0.01 0.00 0.00 54.79 51.53 3b95 n ASP 774 Cb 0.24 -0.75 0.02 0.00 -1.03 0.00 0.00 41.12 39.60 3b95 n ASP 774 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3b95 n GLN 775 N -0.66 -1.34 -4.57 0.11 6.02 -0.27 -3.76 117.38 112.91 3b95 n GLN 775 Ca 0.44 0.83 -0.21 0.00 -0.01 0.00 0.00 57.00 58.05 3b95 n GLN 775 Cb 1.37 -4.07 -0.15 0.00 1.02 0.00 0.00 30.24 28.41 3b95 n GLN 775 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3b95 s ARG 776 N -4.85 1.04 0.24 -1.09 0.52 -1.26 -4.18 118.95 109.38 3b95 s ARG 776 Ca 0.21 -0.47 -0.01 0.00 -0.52 0.00 0.00 55.73 54.94 3b95 s ARG 776 Cb -0.07 -1.00 -0.04 0.00 0.52 0.00 0.00 34.95 34.35 3b95 s ARG 776 CO 0.84 0.27 0.45 0.95 0.02 0.00 0.00 175.30 177.84 3b95 s THR 777 N -0.32 5.15 0.53 0.02 -4.23 -1.26 -1.88 115.64 113.65 3b95 s THR 777 Ca 0.05 -0.29 0.22 0.00 -1.18 0.00 0.00 61.69 60.48 3b95 s THR 777 Cb -0.05 -3.75 0.35 0.00 1.34 0.00 0.00 72.50 70.38 3b95 s THR 777 CO -0.00 -0.27 2.06 -0.65 -0.54 0.00 0.00 174.62 175.21 3b95 h PRO 778 N 1.73 0.00 -0.35 3.99 0.11 -1.80 -0.86 132.00 134.82 3b95 h PRO 778 Ca -0.48 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 3b95 h PRO 778 Cb 1.20 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3b95 h PRO 778 CO 0.66 0.00 0.03 1.25 -0.21 0.00 0.00 178.00 179.74 3b95 h LEU 779 N 0.00 0.58 -0.69 2.35 5.85 -1.92 -0.93 115.31 120.55 3b95 h LEU 779 Ca 0.15 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.62 3b95 h LEU 779 Cb 0.61 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 3b95 h LEU 779 CO -0.00 0.72 0.44 0.24 -0.34 0.00 0.00 178.44 179.49 3b95 h MET 780 N 0.42 0.83 -0.45 1.25 2.86 -1.56 0.73 114.93 119.02 3b95 h MET 780 Ca 0.10 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.70 3b95 h MET 780 Cb 0.40 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 3b95 h MET 780 CO 0.01 0.55 0.29 1.49 1.06 0.00 0.00 176.91 180.32 3b95 h GLU 781 N 0.86 0.58 -0.28 1.72 4.57 -1.08 -1.09 114.58 119.87 3b95 h GLU 781 Ca 0.27 -0.04 -0.15 0.00 -1.18 0.00 0.00 59.36 58.27 3b95 h GLU 781 Cb 0.00 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 3b95 h GLU 781 CO -0.10 0.39 -0.43 0.00 -1.18 0.00 0.00 179.01 177.68 3b95 h ALA 782 N 1.17 0.71 0.69 2.92 0.00 -0.85 -3.02 119.26 120.88 3b95 h ALA 782 Ca 0.16 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 3b95 h ALA 782 Cb -0.07 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.63 3b95 h ALA 782 CO -0.04 0.67 -0.33 0.00 0.00 0.00 0.00 179.25 179.54 3b95 h ALA 783 N 0.94 -1.07 -0.02 0.00 0.00 -0.67 -1.56 119.26 116.88 3b95 h ALA 783 Ca 0.04 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.75 3b95 h ALA 783 Cb 0.98 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 3b95 h ALA 783 CO 0.09 -1.00 0.20 1.49 0.00 0.00 0.00 179.25 180.03 3b95 h GLU 784 N -1.08 0.00 -0.55 0.00 4.81 -1.29 -0.65 114.58 115.83 3b95 h GLU 784 Ca -0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3b95 h GLU 784 Cb 0.72 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.10 3b95 h GLU 784 CO 0.16 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.53 3b95 n ASN 785 N -3.05 4.77 -3.83 1.04 3.02 -1.14 -4.91 115.26 111.16 3b95 n ASN 785 Ca -0.02 -2.63 -0.24 0.00 -0.03 0.00 0.00 54.58 51.66 3b95 n ASN 785 Cb 0.26 -0.58 0.01 0.00 -0.61 0.00 0.00 39.78 38.87 3b95 n ASN 785 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3b95 n ASN 786 N 0.69 -1.29 -4.06 6.41 5.15 -0.25 -4.93 115.26 116.98 3b95 n ASN 786 Ca 0.25 -0.89 -0.39 0.00 -0.60 0.00 0.00 54.58 52.95 3b95 n ASN 786 Cb 0.94 -3.64 -0.03 0.00 -0.53 0.00 0.00 39.78 36.52 3b95 n ASN 786 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 3b95 n HIS 787 N -4.36 3.96 -0.12 1.20 8.25 -0.59 -4.93 115.22 118.62 3b95 n HIS 787 Ca -0.26 -3.72 -0.05 0.00 -0.26 0.00 0.00 57.72 53.43 3b95 n HIS 787 Cb 0.66 -1.24 0.01 0.00 1.12 0.00 0.00 29.99 30.54 3b95 n HIS 787 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3b95 h LEU 788 N 5.80 -0.72 -1.48 2.41 5.85 -1.92 -1.17 115.31 124.08 3b95 h LEU 788 Ca 0.18 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 3b95 h LEU 788 Cb 0.76 0.38 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 3b95 h LEU 788 CO 1.01 -0.24 0.22 -0.08 -0.34 0.00 0.00 178.44 179.01 3b95 h GLU 789 N -0.13 0.56 -0.26 1.25 4.57 -1.93 -1.04 114.58 117.61 3b95 h GLU 789 Ca 0.20 -0.05 -0.16 0.00 -1.18 0.00 0.00 59.36 58.16 3b95 h GLU 789 Cb 0.44 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.91 3b95 h GLU 789 CO -0.50 0.42 -0.50 0.00 -1.18 0.00 0.00 179.01 177.26 3b95 h ALA 790 N 1.67 0.63 0.07 2.92 0.00 -1.64 -1.85 119.26 121.06 3b95 h ALA 790 Ca 0.15 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 54.57 3b95 h ALA 790 Cb 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3b95 h ALA 790 CO -0.02 0.68 -0.11 0.28 0.00 0.00 0.00 179.25 180.08 3b95 h VAL 791 N 0.56 0.74 0.01 0.00 2.07 -0.10 -1.12 116.25 118.41 3b95 h VAL 791 Ca 0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.56 3b95 h VAL 791 Cb 1.07 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 3b95 h VAL 791 CO 0.10 0.00 -0.09 0.11 0.02 0.00 0.00 177.57 177.72 3b95 h LYS 792 N -0.22 -0.15 -0.13 1.57 1.57 -1.20 0.01 116.57 118.02 3b95 h LYS 792 Ca 0.02 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 3b95 h LYS 792 Cb 0.23 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.51 3b95 h LYS 792 CO -0.06 -0.10 -0.42 -0.92 -0.57 0.00 0.00 179.45 177.38 3b95 h TYR 793 N -0.16 -1.21 -0.81 -1.35 3.20 -1.10 0.94 116.97 116.49 3b95 h TYR 793 Ca 0.03 0.05 0.13 0.00 3.14 0.00 0.00 58.73 62.08 3b95 h TYR 793 Cb 0.19 0.55 -0.09 0.00 1.54 0.00 0.00 36.73 38.92 3b95 h TYR 793 CO -0.15 -0.48 0.40 -0.07 -1.64 0.00 0.00 178.16 176.23 3b95 h LEU 794 N -0.49 0.49 0.06 2.82 3.38 -0.93 -2.31 115.31 118.33 3b95 h LEU 794 Ca 0.08 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 3b95 h LEU 794 Cb 0.63 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3b95 h LEU 794 CO -0.40 0.23 -0.03 0.40 0.09 0.00 0.00 178.44 178.73 3b95 h ILE 795 N 0.61 1.24 0.00 1.22 2.04 0.21 -0.02 117.51 122.80 3b95 h ILE 795 Ca 0.43 -1.13 -0.45 0.00 1.00 0.00 0.00 64.86 64.71 3b95 h ILE 795 Cb 0.57 1.97 0.01 0.00 -0.74 0.00 0.00 36.82 38.62 3b95 h ILE 795 CO -0.34 0.28 2.49 0.29 0.00 0.00 0.00 178.15 180.87 3b95 n LYS 796 N -4.89 2.67 0.00 2.37 5.02 0.31 -1.80 118.16 121.84 3b95 n LYS 796 Ca -0.09 -1.62 0.00 0.00 -2.02 0.00 0.00 58.31 54.58 3b95 n LYS 796 Cb 0.26 -2.47 0.00 0.00 -0.02 0.00 0.00 35.03 32.80 3b95 n LYS 796 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3b95 n ALA 797 N 3.57 0.00 0.00 7.82 0.00 -1.09 -4.81 120.51 125.99 3b95 n ALA 797 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.01 3b95 n ALA 797 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 3b95 n ALA 797 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b95 n GLY 798 N 0.00 0.46 3.61 0.00 0.00 -0.75 -5.04 105.19 103.47 3b95 n GLY 798 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.51 3b95 n GLY 798 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b95 n ALA 799 N -1.56 -0.60 -2.32 4.61 0.00 -0.04 -4.89 120.51 115.71 3b95 n ALA 799 Ca 0.00 0.50 -0.42 0.00 0.00 0.00 0.00 53.44 53.52 3b95 n ALA 799 Cb 0.00 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 17.30 3b95 n ALA 799 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3b95 s LEU 800 N 0.66 4.36 0.00 0.00 1.43 -1.26 -4.76 118.68 119.11 3b95 s LEU 800 Ca 0.84 2.11 0.23 0.00 -1.03 0.00 0.00 54.13 56.29 3b95 s LEU 800 Cb -0.92 -3.58 0.21 0.00 0.03 0.00 0.00 46.19 41.94 3b95 s LEU 800 CO 0.46 -0.56 1.21 0.52 0.23 0.00 0.00 176.35 178.20 3b95 n VAL 801 N 4.05 0.01 0.11 -1.59 0.31 -1.26 -4.42 118.33 115.54 3b95 n VAL 801 Ca 0.10 -0.02 0.08 0.00 -0.01 0.00 0.00 64.34 64.50 3b95 n VAL 801 Cb 0.45 0.51 0.16 0.00 -0.91 0.00 0.00 33.84 34.05 3b95 n VAL 801 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3b95 n ASP 802 N -1.53 2.96 -4.76 4.52 5.75 -1.26 -4.61 116.55 117.61 3b95 n ASP 802 Ca 0.05 -1.87 -0.32 0.00 -0.01 0.00 0.00 54.79 52.63 3b95 n ASP 802 Cb 0.34 -0.21 0.07 0.00 -1.03 0.00 0.00 41.12 40.30 3b95 n ASP 802 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 3b95 s PRO 803 N -1.13 2.44 0.08 0.11 0.04 -1.26 -4.99 135.00 130.28 3b95 s PRO 803 Ca 0.28 1.33 0.05 0.00 0.04 0.00 0.00 61.00 62.71 3b95 s PRO 803 Cb 0.16 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 3b95 s PRO 803 CO 0.22 -1.53 -0.05 0.15 0.04 0.00 0.00 177.00 175.83 3b95 s LYS 804 N -4.44 2.37 1.44 4.56 1.02 -1.26 -4.45 119.74 118.98 3b95 s LYS 804 Ca 0.65 -0.90 -0.24 0.00 0.02 0.00 0.00 55.97 55.51 3b95 s LYS 804 Cb -0.20 -2.44 0.37 0.00 -0.52 0.00 0.00 37.83 35.05 3b95 s LYS 804 CO 0.49 0.54 0.93 0.34 -0.92 0.00 0.00 175.35 176.72 3b95 s ASP 805 N -2.13 -1.22 0.22 2.83 3.68 0.14 -4.78 116.67 115.42 3b95 s ASP 805 Ca 0.23 0.79 0.24 0.00 2.13 0.00 0.00 52.55 55.93 3b95 s ASP 805 Cb -0.11 -1.09 0.92 0.00 -1.45 0.00 0.00 42.92 41.19 3b95 s ASP 805 CO 0.15 -5.45 1.72 0.00 0.13 0.00 0.00 175.17 171.72 3b95 n ALA 806 N -5.69 1.86 -1.34 3.66 0.00 -1.25 -2.32 120.51 115.43 3b95 n ALA 806 Ca 0.14 0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.69 3b95 n ALA 806 Cb 0.61 -1.41 0.18 0.00 0.00 0.00 0.00 19.45 18.83 3b95 n ALA 806 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3b95 n GLU 807 N -2.18 1.50 -1.34 0.00 0.28 -1.26 -4.97 120.64 112.67 3b95 n GLU 807 Ca 0.03 -2.97 -0.06 0.00 -0.16 0.00 0.00 57.16 54.00 3b95 n GLU 807 Cb 0.29 -1.58 -0.02 0.00 1.43 0.00 0.00 31.44 31.55 3b95 n GLU 807 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3b95 n GLY 808 N -1.24 0.74 3.86 -1.84 0.00 -0.98 -2.12 105.19 103.61 3b95 n GLY 808 Ca 0.18 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 3b95 n GLY 808 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3b95 s SER 809 N -2.90 6.64 0.40 1.61 0.01 -1.26 -3.88 113.70 114.32 3b95 s SER 809 Ca 0.00 0.76 0.08 0.00 1.31 0.00 0.00 55.95 58.09 3b95 s SER 809 Cb 0.00 -2.17 0.01 0.00 0.21 0.00 0.00 66.02 64.06 3b95 s SER 809 CO 0.00 0.32 0.55 0.42 0.41 0.00 0.00 173.24 174.94 3b95 s THR 810 N -1.13 3.24 0.65 1.44 -4.23 -1.26 0.29 115.64 114.64 3b95 s THR 810 Ca 0.23 -0.99 0.33 0.00 -1.18 0.00 0.00 61.69 60.08 3b95 s THR 810 Cb -0.15 -3.10 0.35 0.00 1.34 0.00 0.00 72.50 70.95 3b95 s THR 810 CO 0.12 -0.04 2.06 0.00 -0.54 0.00 0.00 174.62 176.22 3b95 h LEU 812 N 0.00 0.53 -0.39 0.00 5.85 -1.92 -1.56 115.31 117.84 3b95 h LEU 812 Ca 0.03 -0.58 0.02 0.00 0.84 0.00 0.00 57.88 58.18 3b95 h LEU 812 Cb 0.50 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 3b95 h LEU 812 CO -0.00 1.02 0.22 0.45 -0.34 0.00 0.00 178.44 179.79 3b95 h HIS 813 N 0.08 0.42 -0.50 1.25 3.86 -1.09 -1.67 115.15 117.49 3b95 h HIS 813 Ca -0.00 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.17 3b95 h HIS 813 Cb 0.95 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 29.27 3b95 h HIS 813 CO 0.10 0.24 0.12 -0.07 0.86 0.00 0.00 177.93 179.18 3b95 h LEU 814 N 0.45 0.77 -0.43 2.43 3.38 -1.35 0.18 115.31 120.74 3b95 h LEU 814 Ca 0.15 -0.24 -0.17 0.00 0.09 0.00 0.00 57.88 57.72 3b95 h LEU 814 Cb 0.01 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 3b95 h LEU 814 CO -0.07 0.80 -0.51 0.00 0.09 0.00 0.00 178.44 178.75 3b95 h ALA 815 N 0.99 0.60 -0.35 1.53 0.00 -1.20 -2.71 119.26 118.13 3b95 h ALA 815 Ca 0.16 -0.50 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 3b95 h ALA 815 Cb 0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3b95 h ALA 815 CO 0.00 0.68 -0.42 0.00 0.00 0.00 0.00 179.25 179.51 3b95 h ALA 816 N 0.84 0.60 0.00 0.00 0.00 -1.21 -1.19 119.26 118.30 3b95 h ALA 816 Ca 0.02 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 3b95 h ALA 816 Cb 1.08 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3b95 h ALA 816 CO 0.11 0.68 -0.04 -0.22 0.00 0.00 0.00 179.25 179.77 3b95 h LYS 817 N 0.70 0.00 -0.01 0.00 3.64 -0.57 0.03 116.57 120.36 3b95 h LYS 817 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3b95 h LYS 817 Cb 1.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 3b95 h LYS 817 CO 0.10 0.04 -0.51 1.63 -2.27 0.00 0.00 179.45 178.44 3b95 n LYS 818 N -3.97 0.82 -2.89 1.90 4.76 -1.00 -4.87 118.16 112.91 3b95 n LYS 818 Ca -0.03 -0.63 -0.12 0.00 -2.87 0.00 0.00 58.31 54.67 3b95 n LYS 818 Cb 0.13 -1.49 0.03 0.00 -1.84 0.00 0.00 35.03 31.86 3b95 n LYS 818 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3b95 n GLY 819 N 1.42 0.15 3.39 0.72 0.00 -0.00 -4.98 105.19 105.88 3b95 n GLY 819 Ca 0.09 -0.25 -0.45 0.00 0.00 0.00 0.00 46.02 45.41 3b95 n GLY 819 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3b95 s HIS 820 N -3.04 3.11 0.05 1.61 3.76 -0.55 -4.94 115.29 115.28 3b95 s HIS 820 Ca 0.24 -1.17 -0.15 0.00 -0.15 0.00 0.00 55.06 53.83 3b95 s HIS 820 Cb -0.11 -4.07 -0.06 0.00 1.11 0.00 0.00 32.58 29.46 3b95 s HIS 820 CO 0.30 -1.32 1.25 -0.92 -0.85 0.00 0.00 174.74 173.19 3b95 h TYR 821 N 8.94 -0.72 -0.49 1.40 3.20 -1.93 -1.61 116.97 125.76 3b95 h TYR 821 Ca -0.14 0.03 0.10 0.00 3.14 0.00 0.00 58.73 61.85 3b95 h TYR 821 Cb 1.07 0.32 -0.10 0.00 1.54 0.00 0.00 36.73 39.55 3b95 h TYR 821 CO 0.95 -0.25 -0.23 0.93 -1.64 0.00 0.00 178.16 177.91 3b95 h GLU 822 N -0.28 -0.12 -0.73 1.82 5.08 -1.98 0.34 114.58 118.72 3b95 h GLU 822 Ca 0.01 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3b95 h GLU 822 Cb 0.31 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 3b95 h GLU 822 CO -0.18 -0.08 0.39 0.28 -1.00 0.00 0.00 179.01 178.43 3b95 h VAL 823 N -0.12 1.22 -0.59 3.13 2.07 -1.94 0.43 116.25 120.45 3b95 h VAL 823 Ca 0.23 -0.57 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 3b95 h VAL 823 Cb 0.48 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3b95 h VAL 823 CO -0.57 0.25 0.10 0.58 0.02 0.00 0.00 177.57 177.95 3b95 h VAL 824 N 1.01 1.25 0.78 2.57 2.07 -0.28 0.16 116.25 123.80 3b95 h VAL 824 Ca 0.26 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 3b95 h VAL 824 Cb 0.05 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3b95 h VAL 824 CO -0.04 0.35 -0.49 1.56 0.02 0.00 0.00 177.57 178.98 3b95 h GLN 825 N 0.90 -1.14 -0.05 1.57 4.20 0.50 -1.97 115.11 119.12 3b95 h GLN 825 Ca 0.19 0.08 0.03 0.00 0.06 0.00 0.00 58.65 59.01 3b95 h GLN 825 Cb 0.38 0.26 -0.04 0.00 0.30 0.00 0.00 27.48 28.38 3b95 h GLN 825 CO 0.01 -0.76 -0.17 -0.92 -0.67 0.00 0.00 178.83 176.32 3b95 h TYR 826 N -1.19 -0.43 -0.03 2.96 3.20 -0.78 0.15 116.97 120.84 3b95 h TYR 826 Ca -0.10 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.79 3b95 h TYR 826 Cb 0.95 0.20 -0.00 0.00 1.54 0.00 0.00 36.73 39.42 3b95 h TYR 826 CO -0.11 -0.24 0.41 -0.07 -1.64 0.00 0.00 178.16 176.51 3b95 h LEU 827 N -0.25 0.00 0.00 2.82 3.38 -0.57 0.37 115.31 121.06 3b95 h LEU 827 Ca 0.07 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 3b95 h LEU 827 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3b95 h LEU 827 CO -0.19 0.00 -0.75 -0.07 0.09 0.00 0.00 178.44 177.51 3b95 h LEU 828 N 0.00 0.00 0.00 1.67 3.38 0.04 -3.12 115.31 117.28 3b95 h LEU 828 Ca 0.02 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3b95 h LEU 828 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3b95 h LEU 828 CO -0.00 1.07 0.00 -1.54 0.09 0.00 0.00 178.44 178.06 3b95 n SER 829 N -4.55 0.00 0.04 -0.43 3.41 -0.60 -2.27 113.62 109.22 3b95 n SER 829 Ca -0.18 0.04 0.18 0.00 -0.26 0.00 0.00 58.87 58.66 3b95 n SER 829 Cb 0.44 0.00 0.69 0.00 -0.26 0.00 0.00 64.21 65.07 3b95 n SER 829 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3b95 h ASN 830 N 0.00 0.00 0.65 4.04 4.21 -1.79 -0.24 115.58 122.45 3b95 h ASN 830 Ca 0.00 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.41 3b95 h ASN 830 Cb 0.00 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.19 3b95 h ASN 830 CO 0.00 0.00 -0.49 1.23 -1.29 0.00 0.00 177.43 176.88 3b95 h GLY 831 N 0.00 0.00 -6.52 2.83 0.00 -1.04 -3.48 103.07 94.87 3b95 h GLY 831 Ca 0.21 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 47.04 3b95 h GLY 831 CO -0.00 0.00 -0.96 -1.06 0.00 0.00 0.00 176.54 174.51 3b95 n GLN 832 N -3.75 -1.00 -4.31 4.80 1.13 -0.10 -4.90 117.38 109.24 3b95 n GLN 832 Ca -0.01 0.31 -0.25 0.00 -1.94 0.00 0.00 57.00 55.10 3b95 n GLN 832 Cb 0.54 -3.56 -0.09 0.00 0.11 0.00 0.00 30.24 27.24 3b95 n GLN 832 CO 0.00 0.00 0.00 1.41 -1.44 0.00 0.00 177.06 177.03 3b95 s MET 833 N -6.58 2.12 -0.28 -1.09 1.75 -1.18 -5.06 119.30 108.97 3b95 s MET 833 Ca 0.44 -1.36 -0.29 0.00 -1.25 0.00 0.00 55.69 53.23 3b95 s MET 833 Cb -0.19 -2.13 0.01 0.00 2.84 0.00 0.00 34.83 35.36 3b95 s MET 833 CO 0.91 0.40 1.15 0.34 -0.65 0.00 0.00 175.02 177.16 3b95 s ASP 834 N -3.18 6.90 0.17 1.11 2.15 -1.26 -4.86 116.67 117.70 3b95 s ASP 834 Ca 0.28 1.22 0.20 0.00 0.43 0.00 0.00 52.55 54.68 3b95 s ASP 834 Cb -0.08 -2.54 0.86 0.00 -0.30 0.00 0.00 42.92 40.86 3b95 s ASP 834 CO 0.17 -0.88 1.63 1.33 -0.17 0.00 0.00 175.17 177.25 3b95 n VAL 835 N 5.80 0.88 -0.34 1.11 0.24 -1.26 -3.21 118.33 121.55 3b95 n VAL 835 Ca 0.13 0.23 0.06 0.00 -2.04 0.00 0.00 64.34 62.72 3b95 n VAL 835 Cb 0.46 -1.10 0.16 0.00 -1.47 0.00 0.00 33.84 31.89 3b95 n VAL 835 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3b95 n ASN 836 N -1.99 3.01 -4.77 -1.34 3.02 -1.26 -4.35 115.26 107.58 3b95 n ASN 836 Ca 0.03 -2.23 -0.40 0.00 -0.03 0.00 0.00 54.58 51.94 3b95 n ASN 836 Cb 0.21 -0.28 0.01 0.00 -0.61 0.00 0.00 39.78 39.12 3b95 n ASN 836 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3b95 s GLN 838 N -2.32 3.14 0.26 0.00 -0.21 -1.26 -4.14 119.66 115.14 3b95 s GLN 838 Ca 0.58 -0.72 -0.04 0.00 0.02 0.00 0.00 55.36 55.20 3b95 s GLN 838 Cb -0.46 -2.52 0.06 0.00 1.00 0.00 0.00 33.01 31.09 3b95 s GLN 838 CO 0.60 0.30 0.28 -0.40 -2.12 0.00 0.00 175.29 173.95 3b95 n ASP 839 N 3.27 -0.72 -0.29 5.90 5.68 -0.41 -4.78 116.55 125.20 3b95 n ASP 839 Ca -0.18 -0.85 0.15 0.00 -0.50 0.00 0.00 54.79 53.42 3b95 n ASP 839 Cb 0.53 -0.24 0.42 0.00 -1.14 0.00 0.00 41.12 40.69 3b95 n ASP 839 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3b95 h ASP 840 N -0.99 0.59 -0.13 -1.12 3.45 -1.60 -0.70 116.42 115.93 3b95 h ASP 840 Ca -0.10 0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.42 3b95 h ASP 840 Cb 0.29 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.01 3b95 h ASP 840 CO 0.07 0.24 0.00 0.61 -1.57 0.00 0.00 179.24 178.59 3b95 n GLY 841 N -1.44 -0.12 1.00 2.75 0.00 -1.26 -4.89 105.19 101.23 3b95 n GLY 841 Ca 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3b95 n GLY 841 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b95 n GLY 842 N 0.99 1.53 3.72 -0.02 0.00 -0.27 -2.31 105.19 108.83 3b95 n GLY 842 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3b95 n GLY 842 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3b95 s TRP 843 N -2.33 3.08 0.57 1.61 0.52 -1.26 -4.42 118.94 116.72 3b95 s TRP 843 Ca 0.00 0.78 0.03 0.00 0.02 0.00 0.00 56.10 56.93 3b95 s TRP 843 Cb 0.00 -3.86 0.06 0.00 -1.15 0.00 0.00 33.47 28.52 3b95 s TRP 843 CO 0.00 -3.07 0.79 0.95 0.02 0.00 0.00 176.95 175.64 3b95 s THR 844 N 0.86 2.52 0.34 2.01 -4.23 -1.26 -1.29 115.64 114.59 3b95 s THR 844 Ca 0.67 -0.76 0.02 0.00 -1.18 0.00 0.00 61.69 60.44 3b95 s THR 844 Cb -0.42 -2.76 0.25 0.00 1.34 0.00 0.00 72.50 70.91 3b95 s THR 844 CO 0.34 0.00 1.99 -0.65 -0.54 0.00 0.00 174.62 175.76 3b95 h PRO 845 N 0.05 0.81 -0.52 3.99 0.11 -1.76 -1.88 132.00 132.80 3b95 h PRO 845 Ca -0.38 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 3b95 h PRO 845 Cb 1.29 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3b95 h PRO 845 CO 0.46 0.57 0.07 1.98 -0.21 0.00 0.00 178.00 180.86 3b95 h MET 846 N 0.83 0.83 -0.62 1.05 4.05 -1.94 0.21 114.93 119.34 3b95 h MET 846 Ca 0.22 -0.20 -0.08 0.00 -0.28 0.00 0.00 59.70 59.36 3b95 h MET 846 Cb -0.04 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.62 3b95 h MET 846 CO -0.04 0.79 0.06 0.82 0.23 0.00 0.00 176.91 178.77 3b95 h ILE 847 N 0.78 1.26 -0.31 1.77 2.04 -1.79 -0.35 117.51 120.91 3b95 h ILE 847 Ca 0.16 -1.05 -0.05 0.00 1.00 0.00 0.00 64.86 64.92 3b95 h ILE 847 Cb 0.38 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3b95 h ILE 847 CO 0.01 0.39 -0.00 -0.50 0.00 0.00 0.00 178.15 178.04 3b95 h TRP 848 N 0.96 0.61 0.00 1.37 4.06 -0.56 -0.79 115.95 121.60 3b95 h TRP 848 Ca 0.18 -0.11 -0.03 0.00 2.06 0.00 0.00 58.89 60.99 3b95 h TRP 848 Cb 0.47 -0.16 -0.00 0.00 -1.00 0.00 0.00 29.16 28.46 3b95 h TRP 848 CO 0.03 0.69 -0.16 0.00 -3.56 0.00 0.00 178.44 175.44 3b95 h ALA 849 N 0.84 1.51 -0.01 1.49 0.00 -0.46 -2.52 119.26 120.12 3b95 h ALA 849 Ca 0.09 -0.15 -0.25 0.00 0.00 0.00 0.00 54.91 54.60 3b95 h ALA 849 Cb 0.45 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.22 3b95 h ALA 849 CO 0.02 0.20 -0.99 1.15 0.00 0.00 0.00 179.25 179.63 3b95 h THR 850 N 0.00 1.33 -0.89 0.00 2.02 -0.60 0.45 112.91 115.22 3b95 h THR 850 Ca -0.00 -2.31 0.05 0.00 0.77 0.00 0.00 66.41 64.92 3b95 h THR 850 Cb 0.33 2.37 -0.05 0.00 -1.74 0.00 0.00 68.15 69.06 3b95 h THR 850 CO 0.02 0.70 0.58 -0.08 0.37 0.00 0.00 175.52 177.12 3b95 h GLU 851 N 0.34 1.03 -0.85 6.66 4.57 -0.72 -1.31 114.58 124.30 3b95 h GLU 851 Ca -0.11 -0.06 -0.37 0.00 -1.18 0.00 0.00 59.36 57.64 3b95 h GLU 851 Cb 1.63 -0.23 -0.22 0.00 -0.16 0.00 0.00 28.75 29.77 3b95 h GLU 851 CO 0.19 0.68 0.45 0.66 -1.18 0.00 0.00 179.01 179.81 3b95 n TYR 852 N -4.47 2.69 -4.35 0.92 4.02 -1.11 -4.96 117.16 109.91 3b95 n TYR 852 Ca 0.13 -1.56 -0.33 0.00 -0.01 0.00 0.00 57.90 56.13 3b95 n TYR 852 Cb 0.15 -0.81 -0.09 0.00 -0.02 0.00 0.00 39.34 38.57 3b95 n TYR 852 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3b95 n LYS 853 N -0.72 -0.98 -3.20 -0.72 5.02 -0.50 -4.86 118.16 112.19 3b95 n LYS 853 Ca 0.50 0.11 -0.45 0.00 -2.02 0.00 0.00 58.31 56.45 3b95 n LYS 853 Cb 1.52 -3.78 -0.01 0.00 -0.02 0.00 0.00 35.03 32.73 3b95 n LYS 853 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3b95 s HIS 854 N -4.20 3.86 0.12 2.13 3.76 0.13 -4.92 115.29 116.16 3b95 s HIS 854 Ca 0.13 -2.26 -0.31 0.00 -0.15 0.00 0.00 55.06 52.47 3b95 s HIS 854 Cb -0.08 -3.99 -0.09 0.00 1.11 0.00 0.00 32.58 29.53 3b95 s HIS 854 CO 1.00 -1.12 1.57 0.28 -0.85 0.00 0.00 174.74 175.63 3b95 h VAL 855 N 4.39 0.10 -0.21 -0.90 2.07 -1.89 -2.09 116.25 117.71 3b95 h VAL 855 Ca 0.19 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.77 3b95 h VAL 855 Cb 0.93 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3b95 h VAL 855 CO 1.01 0.00 0.19 0.44 0.02 0.00 0.00 177.57 179.23 3b95 h ASP 856 N -0.60 0.00 -0.05 0.57 3.45 -1.99 -1.14 116.42 116.67 3b95 h ASP 856 Ca 0.04 0.00 -0.20 0.00 0.43 0.00 0.00 57.03 57.30 3b95 h ASP 856 Cb 0.68 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.45 3b95 h ASP 856 CO -0.35 0.00 -0.72 0.25 -1.57 0.00 0.00 179.24 176.86 3b95 h LEU 857 N 0.00 0.80 -0.72 1.55 5.85 -1.79 -0.95 115.31 120.06 3b95 h LEU 857 Ca 0.10 -0.50 -0.14 0.00 0.84 0.00 0.00 57.88 58.18 3b95 h LEU 857 Cb 0.47 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3b95 h LEU 857 CO -0.00 1.28 -0.54 0.58 -0.34 0.00 0.00 178.44 179.42 3b95 h VAL 858 N 0.48 1.36 0.77 1.05 2.07 -0.82 0.15 116.25 121.31 3b95 h VAL 858 Ca -0.03 -1.83 -0.04 0.00 0.82 0.00 0.00 66.70 65.62 3b95 h VAL 858 Cb 1.32 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 3b95 h VAL 858 CO 0.14 0.55 -0.39 0.11 0.02 0.00 0.00 177.57 177.99 3b95 h LYS 859 N 0.22 -1.03 -0.19 1.57 1.57 -1.19 0.38 116.57 117.90 3b95 h LYS 859 Ca 0.00 0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.91 3b95 h LYS 859 Cb 1.02 0.23 -0.07 0.00 0.08 0.00 0.00 32.23 33.50 3b95 h LYS 859 CO 0.09 -0.69 -0.26 1.25 -0.57 0.00 0.00 179.45 179.27 3b95 h LEU 860 N -1.07 -0.83 -1.43 2.94 5.85 -0.99 0.61 115.31 120.40 3b95 h LEU 860 Ca -0.10 0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.81 3b95 h LEU 860 Cb 0.83 0.37 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 3b95 h LEU 860 CO 0.16 -0.30 0.44 -0.07 -0.34 0.00 0.00 178.44 178.33 3b95 h LEU 861 N -0.30 0.62 0.55 2.25 3.38 -0.58 -2.35 115.31 118.88 3b95 h LEU 861 Ca 0.12 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3b95 h LEU 861 Cb 0.48 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.10 3b95 h LEU 861 CO -0.36 0.41 -0.26 -0.07 0.09 0.00 0.00 178.44 178.25 3b95 h LEU 862 N 0.72 -0.62 0.00 1.67 3.38 0.13 -2.48 115.31 118.10 3b95 h LEU 862 Ca 0.28 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3b95 h LEU 862 Cb 0.20 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3b95 h LEU 862 CO -0.09 -0.32 0.00 -1.54 0.09 0.00 0.00 178.44 176.59 3b95 n SER 863 N -4.68 0.00 -0.34 -0.43 3.41 0.11 0.22 113.62 111.92 3b95 n SER 863 Ca -0.09 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.55 3b95 n SER 863 Cb 0.29 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.29 3b95 n SER 863 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3b95 n LYS 864 N -0.60 0.48 0.00 4.33 4.76 -0.94 -5.04 118.16 121.16 3b95 n LYS 864 Ca 0.00 -1.56 0.00 0.00 -2.87 0.00 0.00 58.31 53.88 3b95 n LYS 864 Cb 0.00 -0.86 0.00 0.00 -1.84 0.00 0.00 35.03 32.33 3b95 n LYS 864 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3b95 n GLY 865 N -0.51 1.45 3.73 0.72 0.00 0.13 -4.84 105.19 105.86 3b95 n GLY 865 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3b95 n GLY 865 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3b95 s SER 866 N -2.00 7.08 -1.10 1.61 0.01 -0.96 -4.69 113.70 113.65 3b95 s SER 866 Ca 0.00 1.30 -0.17 0.00 1.31 0.00 0.00 55.95 58.39 3b95 s SER 866 Cb 0.00 -2.44 0.13 0.00 0.21 0.00 0.00 66.02 63.93 3b95 s SER 866 CO 0.00 -0.08 1.35 -0.62 0.41 0.00 0.00 173.24 174.31 3b95 s ASP 867 N 0.51 6.83 0.66 2.44 2.15 -1.26 -4.86 116.67 123.15 3b95 s ASP 867 Ca 0.39 -2.44 0.07 0.00 0.43 0.00 0.00 52.55 51.00 3b95 s ASP 867 Cb -0.19 -2.43 0.39 0.00 -0.30 0.00 0.00 42.92 40.39 3b95 s ASP 867 CO 0.20 -0.98 1.22 0.16 -0.17 0.00 0.00 175.17 175.60 3b95 h ILE 868 N 5.39 0.00 -0.01 4.11 3.07 -1.96 0.51 117.51 128.62 3b95 h ILE 868 Ca 0.26 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.67 3b95 h ILE 868 Cb 0.94 0.15 0.00 0.00 -0.27 0.00 0.00 36.82 37.64 3b95 h ILE 868 CO 1.23 0.00 -0.05 0.59 -1.05 0.00 0.00 178.15 178.87 3b95 n ASN 869 N -2.61 0.64 -4.73 2.16 3.02 -1.26 -3.91 115.26 108.57 3b95 n ASN 869 Ca 0.00 -0.95 -0.42 0.00 -0.03 0.00 0.00 54.58 53.18 3b95 n ASN 869 Cb 0.87 -0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.99 3b95 n ASN 869 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3b95 s ILE 870 N -2.22 2.23 -0.15 2.41 -1.09 0.18 -4.96 121.20 117.60 3b95 s ILE 870 Ca 0.36 0.18 -0.03 0.00 -2.23 0.00 0.00 60.65 58.93 3b95 s ILE 870 Cb 0.21 -3.11 -0.03 0.00 -1.58 0.00 0.00 42.46 37.95 3b95 s ILE 870 CO 0.41 0.02 -0.04 -0.13 -1.23 0.00 0.00 174.94 173.97 3b95 s ARG 871 N 0.52 3.60 0.86 2.79 0.52 -1.26 -4.19 118.95 121.79 3b95 s ARG 871 Ca 0.69 -0.52 -0.15 0.00 -0.52 0.00 0.00 55.73 55.24 3b95 s ARG 871 Cb -0.47 -2.89 0.21 0.00 0.52 0.00 0.00 34.95 32.32 3b95 s ARG 871 CO 0.38 0.28 0.88 -0.40 0.02 0.00 0.00 175.30 176.46 3b95 n ASP 872 N 3.40 -1.19 0.00 0.23 3.85 0.06 -4.82 116.55 118.09 3b95 n ASP 872 Ca -0.17 -1.12 0.01 0.00 -0.71 0.00 0.00 54.79 52.79 3b95 n ASP 872 Cb 0.53 -0.76 0.06 0.00 -1.35 0.00 0.00 41.12 39.60 3b95 n ASP 872 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 3b95 n ASN 873 N -4.15 0.00 -0.99 -1.12 3.02 -0.98 -1.80 115.26 109.23 3b95 n ASN 873 Ca 0.12 -0.40 0.03 0.00 -0.03 0.00 0.00 54.58 54.30 3b95 n ASN 873 Cb 0.44 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.65 3b95 n ASN 873 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3b95 n GLU 874 N -0.64 0.20 -0.56 3.52 1.02 -1.26 -5.00 120.64 117.92 3b95 n GLU 874 Ca 0.02 -1.78 0.00 0.00 -0.02 0.00 0.00 57.16 55.37 3b95 n GLU 874 Cb 0.01 -0.39 0.00 0.00 -0.02 0.00 0.00 31.44 31.04 3b95 n GLU 874 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3b95 n GLU 875 N 0.09 0.00 -2.39 3.49 -0.58 -0.75 -2.36 120.64 118.14 3b95 n GLU 875 Ca 0.05 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.42 3b95 n GLU 875 Cb 0.93 -2.93 -0.03 0.00 -0.57 0.00 0.00 31.44 28.84 3b95 n GLU 875 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3b95 s ASN 876 N -2.86 6.68 0.51 1.62 0.01 -1.26 -4.27 114.94 115.36 3b95 s ASN 876 Ca 0.00 2.24 0.05 0.00 -0.71 0.00 0.00 52.86 54.45 3b95 s ASN 876 Cb 0.00 -2.61 0.01 0.00 0.41 0.00 0.00 41.25 39.06 3b95 s ASN 876 CO 0.00 -0.56 0.31 0.27 -1.51 0.00 0.00 177.10 175.61 3b95 s ILE 877 N -1.45 1.78 0.26 0.60 -4.36 -1.26 -0.76 121.20 116.00 3b95 s ILE 877 Ca 0.56 -1.59 -0.01 0.00 -0.26 0.00 0.00 60.65 59.35 3b95 s ILE 877 Cb -0.28 -2.36 0.24 0.00 1.25 0.00 0.00 42.46 41.31 3b95 s ILE 877 CO 0.36 0.00 1.77 0.00 0.24 0.00 0.00 174.94 177.30 3b95 h LEU 879 N 0.65 0.45 -0.95 0.00 5.85 -1.95 -1.08 115.31 118.28 3b95 h LEU 879 Ca 0.47 0.09 0.14 0.00 0.84 0.00 0.00 57.88 59.41 3b95 h LEU 879 Cb 0.64 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.60 3b95 h LEU 879 CO -0.35 0.21 0.57 0.45 -0.34 0.00 0.00 178.44 178.97 3b95 h HIS 880 N 0.57 1.01 0.06 1.25 3.86 -1.72 0.28 115.15 120.47 3b95 h HIS 880 Ca 0.42 0.03 -0.24 0.00 -1.16 0.00 0.00 60.37 59.42 3b95 h HIS 880 Cb 0.56 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 28.72 3b95 h HIS 880 CO -0.12 0.34 -1.08 -1.49 0.86 0.00 0.00 177.93 176.44 3b95 h TRP 881 N 0.84 0.45 -0.77 2.45 4.06 -1.45 0.35 115.95 121.89 3b95 h TRP 881 Ca 0.49 -0.29 0.00 0.00 2.06 0.00 0.00 58.89 61.16 3b95 h TRP 881 Cb 0.59 -0.03 -0.04 0.00 -1.00 0.00 0.00 29.16 28.68 3b95 h TRP 881 CO -0.03 1.17 0.50 0.00 -3.56 0.00 0.00 178.44 176.52 3b95 h ALA 882 N 0.73 1.43 0.06 1.49 0.00 -0.31 0.39 119.26 123.06 3b95 h ALA 882 Ca -0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3b95 h ALA 882 Cb 1.77 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3b95 h ALA 882 CO 0.17 0.52 -0.03 0.00 0.00 0.00 0.00 179.25 179.91 3b95 h ALA 883 N 1.51 -0.08 -0.92 0.00 0.00 -0.27 -0.92 119.26 118.58 3b95 h ALA 883 Ca 0.28 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 55.04 3b95 h ALA 883 Cb -0.10 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.64 3b95 h ALA 883 CO -0.06 -0.26 0.56 0.35 0.00 0.00 0.00 179.25 179.83 3b95 h PHE 884 N -0.64 1.01 -0.07 0.00 3.57 0.26 -2.78 116.94 118.29 3b95 h PHE 884 Ca -0.01 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 3b95 h PHE 884 Cb 0.55 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.98 3b95 h PHE 884 CO 0.11 0.41 -0.16 1.03 -2.23 0.00 0.00 178.31 177.46 3b95 h SER 885 N 0.90 0.26 0.00 0.41 0.87 -0.24 -3.48 113.55 112.27 3b95 h SER 885 Ca 0.45 -0.59 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 3b95 h SER 885 Cb 0.42 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 3b95 h SER 885 CO -0.26 0.80 0.00 0.61 -0.53 0.00 0.00 176.83 177.45 3b95 n GLY 886 N 0.52 0.81 3.57 5.77 0.00 -0.35 -5.04 105.19 110.46 3b95 n GLY 886 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 3b95 n GLY 886 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b95 h VAL 888 N 7.03 1.20 -1.01 0.00 -1.51 -1.94 -2.50 116.25 117.52 3b95 h VAL 888 Ca -0.28 -0.64 0.26 0.00 -1.23 0.00 0.00 66.70 64.80 3b95 h VAL 888 Cb 1.19 1.31 -0.13 0.00 -2.13 0.00 0.00 31.29 31.53 3b95 h VAL 888 CO 1.14 0.20 0.60 0.44 -1.23 0.00 0.00 177.57 178.72 3b95 h ASP 889 N 0.08 0.63 0.34 4.19 3.32 -1.99 0.85 116.42 123.84 3b95 h ASP 889 Ca 0.05 0.14 -0.24 0.00 0.02 0.00 0.00 57.03 57.00 3b95 h ASP 889 Cb 0.27 0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.87 3b95 h ASP 889 CO 0.00 0.06 -1.02 0.40 -1.72 0.00 0.00 179.24 176.97 3b95 h ILE 890 N 0.53 1.40 -0.17 0.35 2.04 -1.93 -2.77 117.51 116.95 3b95 h ILE 890 Ca 0.66 -2.52 -0.16 0.00 1.00 0.00 0.00 64.86 63.83 3b95 h ILE 890 Cb 1.33 2.52 -0.01 0.00 -0.74 0.00 0.00 36.82 39.91 3b95 h ILE 890 CO -0.49 0.75 -0.57 0.00 0.00 0.00 0.00 178.15 177.85 3b95 h ALA 891 N 0.66 0.69 -0.10 1.87 0.00 -0.21 -0.05 119.26 122.11 3b95 h ALA 891 Ca -0.10 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 3b95 h ALA 891 Cb 1.67 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 3b95 h ALA 891 CO 0.18 0.70 0.06 1.05 0.00 0.00 0.00 179.25 181.23 3b95 h GLU 892 N 0.40 0.14 -0.48 0.00 9.09 0.50 -2.28 114.58 121.96 3b95 h GLU 892 Ca 0.00 -0.02 -0.01 0.00 0.05 0.00 0.00 59.36 59.39 3b95 h GLU 892 Cb 1.11 -0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 28.16 3b95 h GLU 892 CO 0.11 0.17 0.27 0.82 0.05 0.00 0.00 179.01 180.42 3b95 h ILE 893 N 0.07 1.16 -0.17 -1.06 2.04 -1.38 0.23 117.51 118.41 3b95 h ILE 893 Ca 0.04 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 3b95 h ILE 893 Cb 0.07 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3b95 h ILE 893 CO -0.01 0.17 0.05 -0.07 0.00 0.00 0.00 178.15 178.29 3b95 h LEU 894 N 0.63 0.21 0.01 1.44 3.38 -0.86 -2.43 115.31 117.69 3b95 h LEU 894 Ca 0.17 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 3b95 h LEU 894 Cb 0.03 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3b95 h LEU 894 CO -0.03 0.22 -0.19 -0.07 0.09 0.00 0.00 178.44 178.45 3b95 h LEU 895 N 0.24 0.15 0.00 1.67 3.38 -0.97 -2.81 115.31 116.98 3b95 h LEU 895 Ca 0.06 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.19 3b95 h LEU 895 Cb 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3b95 h LEU 895 CO -0.00 0.97 0.12 0.00 0.09 0.00 0.00 178.44 179.62 3b95 n ALA 896 N -2.56 0.77 -0.84 1.53 0.00 0.03 0.65 120.51 120.09 3b95 n ALA 896 Ca -0.10 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.42 3b95 n ALA 896 Cb 0.50 -0.76 0.36 0.00 0.00 0.00 0.00 19.45 19.56 3b95 n ALA 896 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3b95 n ALA 897 N -1.37 3.50 -1.95 0.00 0.00 -0.94 -4.94 120.51 114.82 3b95 n ALA 897 Ca 0.00 -1.91 -0.12 0.00 0.00 0.00 0.00 53.44 51.41 3b95 n ALA 897 Cb 0.12 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 3b95 n ALA 897 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3b95 n LYS 898 N 0.52 -0.93 -2.36 0.00 5.02 0.21 -4.99 118.16 115.63 3b95 n LYS 898 Ca 0.26 0.70 -0.41 0.00 -2.02 0.00 0.00 58.31 56.84 3b95 n LYS 898 Cb 1.06 -4.83 -0.04 0.00 -0.02 0.00 0.00 35.03 31.20 3b95 n LYS 898 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3b95 s ASP 900 N -0.44 6.52 0.32 0.00 -1.08 -1.26 -4.79 116.67 115.95 3b95 s ASP 900 Ca 0.48 2.18 0.26 0.00 -0.52 0.00 0.00 52.55 54.95 3b95 s ASP 900 Cb -0.34 -2.53 1.01 0.00 -1.46 0.00 0.00 42.92 39.60 3b95 s ASP 900 CO 0.42 -1.05 1.77 0.25 0.52 0.00 0.00 175.17 177.08 3b95 h LEU 901 N 10.78 0.00 -2.99 -1.34 6.46 -1.99 -3.09 115.31 123.14 3b95 h LEU 901 Ca -0.40 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.36 3b95 h LEU 901 Cb 1.19 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 3b95 h LEU 901 CO 0.96 0.00 0.00 1.41 -0.62 0.00 0.00 178.44 180.19 3b95 n HIS 902 N -2.45 0.29 -1.70 1.25 8.25 -1.26 -4.25 115.22 115.35 3b95 n HIS 902 Ca 0.02 -0.60 -0.41 0.00 -0.26 0.00 0.00 57.72 56.47 3b95 n HIS 902 Cb 0.29 -0.08 0.01 0.00 1.12 0.00 0.00 29.99 31.33 3b95 n HIS 902 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3b95 n ALA 903 N -0.22 1.23 -2.61 -1.41 0.00 -1.17 -4.87 120.51 111.46 3b95 n ALA 903 Ca 0.09 0.25 -0.21 0.00 0.00 0.00 0.00 53.44 53.57 3b95 n ALA 903 Cb 0.44 -2.26 -0.15 0.00 0.00 0.00 0.00 19.45 17.49 3b95 n ALA 903 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3b95 s VAL 904 N -1.21 1.05 0.39 0.00 -7.23 -1.26 -4.06 120.40 108.08 3b95 s VAL 904 Ca 0.62 -0.67 -0.07 0.00 -1.81 0.00 0.00 61.98 60.05 3b95 s VAL 904 Cb -0.51 -0.89 0.09 0.00 0.56 0.00 0.00 36.38 35.63 3b95 s VAL 904 CO 0.57 0.21 0.53 -0.46 -0.31 0.00 0.00 175.10 175.65 3b95 n ASN 905 N 2.53 0.03 0.17 4.85 0.23 -0.69 -4.75 115.26 117.63 3b95 n ASN 905 Ca -0.15 -1.19 0.19 0.00 -0.53 0.00 0.00 54.58 52.90 3b95 n ASN 905 Cb 0.55 -0.41 0.77 0.00 -2.08 0.00 0.00 39.78 38.62 3b95 n ASN 905 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 3b95 h ILE 906 N -1.31 0.26 -0.02 1.53 6.09 -1.73 0.71 117.51 123.03 3b95 h ILE 906 Ca -0.17 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.32 3b95 h ILE 906 Cb 0.47 0.66 0.00 0.00 0.47 0.00 0.00 36.82 38.42 3b95 h ILE 906 CO 0.12 0.00 -0.05 1.41 -3.07 0.00 0.00 178.15 176.56 3b95 n HIS 907 N -3.45 0.00 -1.49 2.19 8.25 -1.26 -4.92 115.22 114.54 3b95 n HIS 907 Ca 0.04 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.49 3b95 n HIS 907 Cb 0.53 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.63 3b95 n HIS 907 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3b95 n GLY 908 N 1.30 0.40 3.76 -1.41 0.00 0.25 -1.35 105.19 108.14 3b95 n GLY 908 Ca 0.15 -0.95 -0.39 0.00 0.00 0.00 0.00 46.02 44.83 3b95 n GLY 908 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3b95 s ASP 909 N -2.97 7.02 0.52 1.61 -0.00 -1.25 -4.32 116.67 117.28 3b95 s ASP 909 Ca 0.00 1.21 0.04 0.00 -0.00 0.00 0.00 52.55 53.80 3b95 s ASP 909 Cb 0.00 -2.38 0.04 0.00 -0.00 0.00 0.00 42.92 40.58 3b95 s ASP 909 CO 0.00 0.09 0.73 -0.94 -0.00 0.00 0.00 175.17 175.04 3b95 s SER 910 N -0.17 5.30 0.21 0.27 1.04 -1.26 -1.70 113.70 117.39 3b95 s SER 910 Ca 0.32 -0.28 -0.09 0.00 0.48 0.00 0.00 55.95 56.38 3b95 s SER 910 Cb -0.19 -0.58 0.28 0.00 0.10 0.00 0.00 66.02 65.63 3b95 s SER 910 CO 0.18 -1.10 1.78 -0.65 0.98 0.00 0.00 173.24 174.43 3b95 h PRO 911 N 0.22 0.58 0.00 4.02 0.11 -1.74 -0.96 132.00 134.24 3b95 h PRO 911 Ca -0.39 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 3b95 h PRO 911 Cb 1.29 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3b95 h PRO 911 CO 0.47 0.38 -0.14 1.25 -0.21 0.00 0.00 178.00 179.75 3b95 h LEU 912 N 0.60 0.00 -0.38 2.35 5.85 -1.94 -0.20 115.31 121.58 3b95 h LEU 912 Ca 0.32 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.01 3b95 h LEU 912 Cb 0.29 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3b95 h LEU 912 CO -0.23 0.14 0.13 0.45 -0.34 0.00 0.00 178.44 178.59 3b95 h HIS 913 N 0.00 0.61 0.30 1.25 3.86 -1.54 -2.73 115.15 116.90 3b95 h HIS 913 Ca -0.00 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 3b95 h HIS 913 Cb 0.25 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.55 3b95 h HIS 913 CO 0.00 0.57 -0.15 0.82 0.86 0.00 0.00 177.93 180.03 3b95 h ILE 914 N 0.47 0.62 -0.71 2.45 2.04 -0.98 -2.52 117.51 118.88 3b95 h ILE 914 Ca 0.12 -0.73 0.21 0.00 1.00 0.00 0.00 64.86 65.46 3b95 h ILE 914 Cb 0.24 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 3b95 h ILE 914 CO -0.01 0.13 0.83 0.00 0.00 0.00 0.00 178.15 179.10 3b95 h ALA 915 N -0.40 2.52 0.07 1.87 0.00 -1.08 0.31 119.26 122.55 3b95 h ALA 915 Ca -0.04 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.61 3b95 h ALA 915 Cb 0.52 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3b95 h ALA 915 CO 0.07 -1.20 -1.21 0.00 0.00 0.00 0.00 179.25 176.91 3b95 h ALA 916 N 1.00 0.19 -0.74 0.00 0.00 -1.38 0.68 119.26 119.02 3b95 h ALA 916 Ca 0.34 -1.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 3b95 h ALA 916 Cb 2.00 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 20.26 3b95 h ALA 916 CO -0.00 0.70 0.41 -0.09 0.00 0.00 0.00 179.25 180.27 3b95 h ARG 917 N -0.59 1.03 -0.23 0.00 2.43 -0.58 -1.73 114.38 114.71 3b95 h ARG 917 Ca -0.28 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 3b95 h ARG 917 Cb 1.54 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 3b95 h ARG 917 CO -0.03 0.75 0.00 0.39 -1.51 0.00 0.00 179.97 179.58 3b95 n GLU 918 N -4.36 1.79 -3.95 0.20 -0.58 -0.13 -4.82 120.64 108.78 3b95 n GLU 918 Ca 0.08 -1.20 -0.28 0.00 -0.42 0.00 0.00 57.16 55.34 3b95 n GLU 918 Cb 0.10 -1.36 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 3b95 n GLU 918 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3b95 n ASN 919 N 0.43 -2.36 -4.45 1.62 2.85 -0.65 -4.91 115.26 107.78 3b95 n ASN 919 Ca 0.15 -0.91 -0.44 0.00 -0.11 0.00 0.00 54.58 53.27 3b95 n ASN 919 Cb 0.33 -3.43 -0.01 0.00 1.24 0.00 0.00 39.78 37.92 3b95 n ASN 919 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 3b95 s ARG 920 N -6.54 3.96 0.00 1.20 1.81 0.22 -4.91 118.95 114.70 3b95 s ARG 920 Ca 0.34 -2.40 0.00 0.00 -1.72 0.00 0.00 55.73 51.95 3b95 s ARG 920 Cb -0.18 -4.99 0.00 0.00 -0.45 0.00 0.00 34.95 29.33 3b95 s ARG 920 CO 0.87 -1.74 0.53 0.98 -0.68 0.00 0.00 175.30 175.26 3b95 n TYR 921 N 5.71 0.00 -0.35 -0.53 9.36 -1.26 -1.08 117.16 129.01 3b95 n TYR 921 Ca 0.32 0.00 0.31 0.00 3.32 0.00 0.00 57.90 61.85 3b95 n TYR 921 Cb 0.44 -0.03 0.53 0.00 -0.63 0.00 0.00 39.34 39.66 3b95 n TYR 921 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3b95 n ASP 922 N -1.01 0.20 0.23 2.98 8.00 -1.26 -0.32 116.55 125.37 3b95 n ASP 922 Ca 0.00 1.20 -0.12 0.00 0.71 0.00 0.00 54.79 56.58 3b95 n ASP 922 Cb 0.00 -0.59 -0.06 0.00 -0.02 0.00 0.00 41.12 40.45 3b95 n ASP 922 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3b95 h VAL 924 N -1.10 0.42 -0.00 0.00 3.04 0.99 -0.27 116.25 119.33 3b95 h VAL 924 Ca -0.07 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.61 3b95 h VAL 924 Cb 0.56 0.65 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 3b95 h VAL 924 CO 0.11 0.00 -0.07 0.58 -1.01 0.00 0.00 177.57 177.18 3b95 h VAL 925 N 0.00 1.58 -0.52 1.51 2.07 -1.08 -2.15 116.25 117.67 3b95 h VAL 925 Ca 0.22 -1.80 0.09 0.00 0.82 0.00 0.00 66.70 66.03 3b95 h VAL 925 Cb 1.13 2.77 -0.08 0.00 -1.52 0.00 0.00 31.29 33.59 3b95 h VAL 925 CO -0.00 0.48 0.07 0.25 0.02 0.00 0.00 177.57 178.39 3b95 h LEU 926 N -0.67 -0.07 0.07 2.57 5.85 0.06 -0.20 115.31 122.93 3b95 h LEU 926 Ca -0.01 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.83 3b95 h LEU 926 Cb 0.82 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 3b95 h LEU 926 CO 0.01 -0.01 -0.17 -0.26 -0.34 0.00 0.00 178.44 177.67 3b95 h PHE 927 N 0.20 -0.45 -0.08 1.25 0.05 -1.15 -1.82 116.94 114.93 3b95 h PHE 927 Ca 0.26 0.01 -0.01 0.00 3.82 0.00 0.00 57.97 62.05 3b95 h PHE 927 Cb 0.38 0.19 -0.01 0.00 2.00 0.00 0.00 35.95 38.51 3b95 h PHE 927 CO -0.26 -0.26 0.00 -0.07 -0.18 0.00 0.00 178.31 177.55 3b95 h LEU 928 N -0.32 0.10 -0.19 1.54 3.38 -1.03 0.28 115.31 119.07 3b95 h LEU 928 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3b95 h LEU 928 Cb 0.36 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3b95 h LEU 928 CO -0.12 0.12 0.00 -0.24 0.09 0.00 0.00 178.44 178.30 3b95 n SER 929 N -4.47 0.17 -0.57 -0.43 2.88 -0.12 -1.99 113.62 109.09 3b95 n SER 929 Ca -0.02 0.54 0.08 0.00 -1.33 0.00 0.00 58.87 58.14 3b95 n SER 929 Cb 0.13 -0.58 0.19 0.00 -0.75 0.00 0.00 64.21 63.20 3b95 n SER 929 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3b95 n ARG 930 N -1.69 2.53 -3.20 -1.46 5.12 0.96 -5.00 116.66 113.91 3b95 n ARG 930 Ca 0.03 -2.52 -0.14 0.00 -1.93 0.00 0.00 57.85 53.28 3b95 n ARG 930 Cb 0.18 -1.59 0.07 0.00 -1.16 0.00 0.00 32.46 29.96 3b95 n ARG 930 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3b95 n ASP 931 N -0.56 -6.58 -4.74 0.55 8.00 -0.84 -4.99 116.55 107.39 3b95 n ASP 931 Ca 0.16 -0.68 -0.40 0.00 0.71 0.00 0.00 54.79 54.59 3b95 n ASP 931 Cb 0.69 -5.11 -0.05 0.00 -0.02 0.00 0.00 41.12 36.64 3b95 n ASP 931 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3b95 s SER 932 N -3.37 7.16 -0.36 -2.24 0.15 -1.14 -4.96 113.70 108.94 3b95 s SER 932 Ca 0.44 1.39 -0.28 0.00 0.70 0.00 0.00 55.95 58.20 3b95 s SER 932 Cb -0.06 -2.45 -0.07 0.00 -1.71 0.00 0.00 66.02 61.73 3b95 s SER 932 CO 0.72 -0.00 2.32 -0.67 1.20 0.00 0.00 173.24 176.81 3b95 n ASP 933 N 2.96 2.71 0.26 5.45 -0.08 -1.26 -4.83 116.55 121.76 3b95 n ASP 933 Ca -0.02 -0.08 0.15 0.00 -1.51 0.00 0.00 54.79 53.33 3b95 n ASP 933 Cb 0.50 -1.53 0.50 0.00 2.34 0.00 0.00 41.12 42.94 3b95 n ASP 933 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 3b95 h VAL 934 N 7.40 0.04 -0.01 5.18 2.07 -1.99 -3.03 116.25 125.91 3b95 h VAL 934 Ca -0.32 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.48 3b95 h VAL 934 Cb 1.26 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 3b95 h VAL 934 CO 1.06 0.02 -0.16 0.35 0.02 0.00 0.00 177.57 178.85 3b95 n THR 935 N -3.11 0.00 -2.15 2.57 -2.24 -1.26 -4.23 114.28 103.86 3b95 n THR 935 Ca 0.02 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 3b95 n THR 935 Cb 0.39 0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 69.15 3b95 n THR 935 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3b95 s LEU 936 N -2.29 4.27 0.41 3.22 2.96 -1.15 -4.93 118.68 121.18 3b95 s LEU 936 Ca 0.29 2.04 -0.03 0.00 -0.22 0.00 0.00 54.13 56.22 3b95 s LEU 936 Cb 0.20 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.32 3b95 s LEU 936 CO 0.44 -0.87 0.66 -1.59 -1.32 0.00 0.00 176.35 173.67 3b95 s LYS 937 N 3.86 3.52 0.00 1.98 -2.85 -1.26 -3.96 119.74 121.03 3b95 s LYS 937 Ca 0.67 -0.06 0.00 0.00 -1.00 0.00 0.00 55.97 55.58 3b95 s LYS 937 Cb -0.29 -2.53 0.00 0.00 -2.06 0.00 0.00 37.83 32.95 3b95 s LYS 937 CO 0.24 -0.01 0.00 0.27 0.10 0.00 0.00 175.35 175.95 3b95 n ASN 938 N -1.96 0.60 -0.13 0.03 0.23 -0.07 -4.88 115.26 109.08 3b95 n ASN 938 Ca -0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.03 3b95 n ASN 938 Cb 0.56 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.26 3b95 n ASN 938 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3b95 n LYS 939 N 0.00 0.95 0.00 -3.83 5.02 -0.46 -1.51 118.16 118.33 3b95 n LYS 939 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3b95 n LYS 939 Cb 0.00 -1.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 3b95 n LYS 939 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3b95 n GLU 940 N -0.36 -0.18 -0.98 1.97 -0.58 -1.26 -4.98 120.64 114.27 3b95 n GLU 940 Ca 0.00 -0.52 0.00 0.00 -0.42 0.00 0.00 57.16 56.22 3b95 n GLU 940 Cb 0.06 -0.86 0.00 0.00 -0.57 0.00 0.00 31.44 30.07 3b95 n GLU 940 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3b95 n GLY 941 N -0.07 0.62 3.81 0.62 0.00 -0.57 -5.02 105.19 104.59 3b95 n GLY 941 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3b95 n GLY 941 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3b95 s GLU 942 N -0.19 4.30 0.32 1.61 2.02 -1.26 -4.57 118.70 120.92 3b95 s GLU 942 Ca 0.00 1.09 0.07 0.00 0.02 0.00 0.00 54.97 56.15 3b95 s GLU 942 Cb 0.00 -2.45 -0.02 0.00 0.10 0.00 0.00 34.13 31.76 3b95 s GLU 942 CO 0.00 0.12 0.34 0.95 0.02 0.00 0.00 175.26 176.69 3b95 s THR 943 N -1.94 3.98 0.35 3.63 -4.23 -1.26 -0.89 115.64 115.28 3b95 s THR 943 Ca 0.56 -1.22 0.10 0.00 -1.18 0.00 0.00 61.69 59.95 3b95 s THR 943 Cb -0.12 -3.34 0.33 0.00 1.34 0.00 0.00 72.50 70.70 3b95 s THR 943 CO 0.17 -0.21 1.82 1.55 -0.54 0.00 0.00 174.62 177.41 3b95 h PRO 944 N 1.16 0.62 -0.22 3.99 0.13 -1.74 0.16 132.00 136.11 3b95 h PRO 944 Ca -0.46 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 3b95 h PRO 944 Cb 1.25 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 3b95 h PRO 944 CO 0.57 0.41 0.04 1.25 -0.23 0.00 0.00 178.00 180.04 3b95 h LEU 945 N 0.64 0.28 0.00 1.56 5.85 -1.91 -1.43 115.31 120.30 3b95 h LEU 945 Ca 0.52 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.22 3b95 h LEU 945 Cb 0.97 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.93 3b95 h LEU 945 CO -0.28 0.30 0.00 0.00 -0.34 0.00 0.00 178.44 178.12 3b95 n GLN 946 N -4.40 0.01 0.04 1.25 6.02 0.55 -3.21 117.38 117.63 3b95 n GLN 946 Ca 0.00 0.09 0.11 0.00 -0.01 0.00 0.00 57.00 57.19 3b95 n GLN 946 Cb 0.16 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 29.83 3b95 n GLN 946 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3b95 s ALA 948 N -3.42 2.56 0.33 0.00 0.00 -1.13 -4.10 121.76 116.00 3b95 s ALA 948 Ca -0.04 0.25 -0.16 0.00 0.00 0.00 0.00 51.96 52.01 3b95 s ALA 948 Cb 0.12 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.92 3b95 s ALA 948 CO 0.85 -1.29 0.76 -1.54 0.00 0.00 0.00 175.76 174.55 3b95 s SER 949 N -3.34 6.80 0.32 0.00 1.04 -1.26 -4.99 113.70 112.26 3b95 s SER 949 Ca 0.61 1.33 -0.29 0.00 0.48 0.00 0.00 55.95 58.08 3b95 s SER 949 Cb -0.16 -2.39 -0.11 0.00 0.10 0.00 0.00 66.02 63.46 3b95 s SER 949 CO 0.50 -0.22 1.46 -0.76 0.98 0.00 0.00 173.24 175.20 3b95 s LEU 950 N -2.98 4.36 -1.47 2.42 1.43 -1.26 -3.07 118.68 118.12 3b95 s LEU 950 Ca 0.55 2.85 -0.03 0.00 -1.03 0.00 0.00 54.13 56.47 3b95 s LEU 950 Cb -0.10 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.48 3b95 s LEU 950 CO 0.17 -0.77 0.40 0.59 0.23 0.00 0.00 176.35 176.97 3b95 n ASN 951 N 1.40 -5.64 -4.93 2.29 3.02 -1.26 -5.00 115.26 105.14 3b95 n ASN 951 Ca 0.04 -0.19 -0.25 0.00 -0.03 0.00 0.00 54.58 54.15 3b95 n ASN 951 Cb 0.40 -4.53 -0.01 0.00 -0.61 0.00 0.00 39.78 35.02 3b95 n ASN 951 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3b95 s SER 952 N -2.57 6.32 0.25 6.41 0.01 -1.17 -4.90 113.70 118.04 3b95 s SER 952 Ca 0.20 0.53 -0.03 0.00 1.31 0.00 0.00 55.95 57.96 3b95 s SER 952 Cb -0.09 -2.07 0.50 0.00 0.21 0.00 0.00 66.02 64.58 3b95 s SER 952 CO 0.24 -0.30 1.72 1.56 0.41 0.00 0.00 173.24 176.88 3b95 h GLN 953 N 0.90 0.43 -0.20 12.44 1.08 -1.94 -0.39 115.11 127.41 3b95 h GLN 953 Ca -0.49 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 56.65 3b95 h GLN 953 Cb 1.21 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.54 3b95 h GLN 953 CO 0.62 0.28 0.01 0.28 -0.95 0.00 0.00 178.83 179.08 3b95 h VAL 954 N 0.44 1.24 -0.55 -0.54 2.07 -1.92 -2.10 116.25 114.89 3b95 h VAL 954 Ca 0.44 -0.83 0.08 0.00 0.82 0.00 0.00 66.70 67.20 3b95 h VAL 954 Cb 0.69 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.79 3b95 h VAL 954 CO -0.43 0.25 0.22 -0.25 0.02 0.00 0.00 177.57 177.38 3b95 h TRP 955 N 0.12 0.38 0.36 1.57 7.01 -1.48 0.64 115.95 124.55 3b95 h TRP 955 Ca 0.06 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.08 3b95 h TRP 955 Cb 0.37 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.31 3b95 h TRP 955 CO 0.03 0.13 -0.40 0.77 -2.79 0.00 0.00 178.44 176.17 3b95 h SER 956 N 0.41 -1.11 -0.11 2.65 0.02 -0.98 -1.28 113.55 113.14 3b95 h SER 956 Ca 0.27 0.10 0.03 0.00 -0.84 0.00 0.00 61.79 61.35 3b95 h SER 956 Cb 0.29 0.38 -0.00 0.00 0.14 0.00 0.00 62.40 63.20 3b95 h SER 956 CO -0.26 -0.54 0.09 0.00 -1.14 0.00 0.00 176.83 174.99 3b95 h ALA 957 N -0.40 1.94 0.00 3.77 0.00 -0.90 0.19 119.26 123.86 3b95 h ALA 957 Ca -0.03 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3b95 h ALA 957 Cb 0.72 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3b95 h ALA 957 CO -0.09 -0.15 -0.75 -0.07 0.00 0.00 0.00 179.25 178.19 3b95 h LEU 958 N 0.00 0.00 0.07 0.00 3.38 -0.25 -2.89 115.31 115.61 3b95 h LEU 958 Ca 0.05 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.76 3b95 h LEU 958 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3b95 h LEU 958 CO -0.00 0.49 -1.38 -0.61 0.09 0.00 0.00 178.44 177.03 3b95 h GLN 959 N 0.00 0.14 -0.84 1.13 4.15 -0.77 -2.38 115.11 116.54 3b95 h GLN 959 Ca -0.04 -0.24 0.16 0.00 0.77 0.00 0.00 58.65 59.30 3b95 h GLN 959 Cb 1.41 0.09 -0.16 0.00 0.21 0.00 0.00 27.48 29.03 3b95 h GLN 959 CO 0.06 1.11 -0.23 1.98 -1.93 0.00 0.00 178.83 179.82 3b95 h MET 960 N -0.54 -0.01 -0.04 1.69 4.05 -1.10 0.30 114.93 119.28 3b95 h MET 960 Ca -0.33 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.12 3b95 h MET 960 Cb 1.59 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.37 3b95 h MET 960 CO -0.04 -0.01 -0.11 1.03 0.23 0.00 0.00 176.91 178.01 3b95 h SER 961 N -0.01 -0.32 -0.21 1.39 0.87 -1.59 -0.46 113.55 113.21 3b95 h SER 961 Ca 0.39 0.05 0.04 0.00 -1.23 0.00 0.00 61.79 61.04 3b95 h SER 961 Cb 0.61 0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.68 3b95 h SER 961 CO -0.87 -0.15 -0.02 0.11 -0.53 0.00 0.00 176.83 175.37 3b95 h LYS 962 N -0.17 0.04 -0.85 2.24 6.56 -0.03 -1.91 116.57 122.45 3b95 h LYS 962 Ca 0.05 -0.00 0.06 0.00 -1.06 0.00 0.00 60.65 59.70 3b95 h LYS 962 Cb 0.24 -0.01 -0.06 0.00 -0.57 0.00 0.00 32.23 31.83 3b95 h LYS 962 CO -0.14 0.03 0.53 0.00 -2.06 0.00 0.00 179.45 177.81 3b95 h ALA 963 N 1.19 1.17 0.00 3.86 0.00 -0.30 0.11 119.26 125.30 3b95 h ALA 963 Ca 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3b95 h ALA 963 Cb 0.14 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3b95 h ALA 963 CO -0.19 0.27 -0.07 1.25 0.00 0.00 0.00 179.25 180.51 3b95 h LEU 964 N 0.96 0.00 0.00 0.00 5.85 -0.36 -2.06 115.31 119.70 3b95 h LEU 964 Ca 0.37 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 59.03 3b95 h LEU 964 Cb 0.17 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3b95 h LEU 964 CO -0.17 0.07 -0.56 1.56 -0.34 0.00 0.00 178.44 179.00 3b95 h GLN 965 N 0.00 0.00 -1.19 1.25 7.50 -0.38 -3.35 115.11 118.94 3b95 h GLN 965 Ca -0.00 0.00 0.34 0.00 0.50 0.00 0.00 58.65 59.49 3b95 h GLN 965 Cb 0.26 0.00 -0.09 0.00 0.05 0.00 0.00 27.48 27.70 3b95 h GLN 965 CO 0.01 0.38 0.80 0.38 -1.50 0.00 0.00 178.83 178.90 3b95 h ASP 966 N -1.00 0.25 -0.02 1.46 -0.00 -0.74 -3.52 116.42 112.86 3b95 h ASP 966 Ca -0.09 0.07 0.00 0.00 -0.00 0.00 0.00 57.03 57.00 3b95 h ASP 966 Cb 0.68 0.03 0.00 0.00 -0.00 0.00 0.00 39.33 40.04 3b95 h ASP 966 CO -0.06 -0.00 0.00 -1.20 -0.00 0.00 0.00 179.24 177.98