#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xoa n ASP 2 N 0.00 3.35 -3.02 4.04 2.03 -1.26 -5.01 116.55 116.68 1xoa n ASP 2 Ca 0.00 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.95 1xoa n ASP 2 Cb 0.00 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1xoa n ASP 2 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1xoa n LYS 3 N 0.00 3.50 -3.90 -0.67 5.02 -1.26 -4.86 118.16 115.98 1xoa n LYS 3 Ca 0.00 -3.36 -0.35 0.00 -2.02 0.00 0.00 58.31 52.58 1xoa n LYS 3 Cb 0.00 -2.33 -0.14 0.00 -0.02 0.00 0.00 35.03 32.54 1xoa n LYS 3 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1xoa s ILE 4 N -3.33 3.01 -0.26 -0.18 -1.09 -1.25 -2.59 121.20 115.50 1xoa s ILE 4 Ca 0.52 -1.39 -0.21 0.00 -2.23 0.00 0.00 60.65 57.34 1xoa s ILE 4 Cb 0.33 -2.73 -0.01 0.00 -1.58 0.00 0.00 42.46 38.46 1xoa s ILE 4 CO -0.24 -0.12 0.68 -0.63 -1.23 0.00 0.00 174.94 173.40 1xoa s ILE 5 N 1.25 4.93 -1.31 2.92 -1.09 0.10 -4.85 121.20 123.17 1xoa s ILE 5 Ca -0.05 1.19 -0.14 0.00 -2.23 0.00 0.00 60.65 59.42 1xoa s ILE 5 Cb -0.20 -3.99 0.11 0.00 -1.58 0.00 0.00 42.46 36.80 1xoa s ILE 5 CO -0.01 -0.03 1.80 1.41 -1.23 0.00 0.00 174.94 176.88 1xoa n HIS 6 N 5.83 4.06 -0.79 3.97 8.25 -1.26 -0.64 115.22 134.64 1xoa n HIS 6 Ca 0.01 -3.00 -0.30 0.00 -0.26 0.00 0.00 57.72 54.17 1xoa n HIS 6 Cb 0.49 -2.33 0.17 0.00 1.12 0.00 0.00 29.99 29.44 1xoa n HIS 6 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1xoa s LEU 7 N 1.96 2.36 0.18 2.41 1.43 -1.25 -4.99 118.68 120.77 1xoa s LEU 7 Ca 0.46 1.92 0.04 0.00 -1.03 0.00 0.00 54.13 55.52 1xoa s LEU 7 Cb 0.06 -4.24 -0.05 0.00 0.03 0.00 0.00 46.19 41.99 1xoa s LEU 7 CO 0.00 -3.17 -0.05 0.42 0.23 0.00 0.00 176.35 173.78 1xoa s THR 8 N -2.67 1.05 0.24 5.49 -4.23 -1.26 -4.45 115.64 109.80 1xoa s THR 8 Ca 0.66 -2.04 -0.05 0.00 -1.18 0.00 0.00 61.69 59.08 1xoa s THR 8 Cb -0.22 -2.08 0.20 0.00 1.34 0.00 0.00 72.50 71.74 1xoa s THR 8 CO 0.59 -0.55 1.75 -0.78 -0.54 0.00 0.00 174.62 175.10 1xoa h ASP 9 N 2.65 0.38 -0.45 3.99 3.58 -1.94 0.87 116.42 125.50 1xoa h ASP 9 Ca -0.37 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.16 1xoa h ASP 9 Cb 1.20 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 42.27 1xoa h ASP 9 CO 0.64 0.19 0.26 0.44 -2.88 0.00 0.00 179.24 177.88 1xoa h ASP 10 N 0.53 0.55 1.11 2.28 5.19 -2.02 -3.03 116.42 121.03 1xoa h ASP 10 Ca 0.39 -0.08 -0.15 0.00 -0.62 0.00 0.00 57.03 56.57 1xoa h ASP 10 Cb 0.51 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.86 1xoa h ASP 10 CO -0.34 0.47 -0.73 0.77 -3.12 0.00 0.00 179.24 176.29 1xoa h SER 11 N 0.59 0.00 -0.81 6.45 4.64 -1.78 -3.37 113.55 119.27 1xoa h SER 11 Ca 0.16 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.63 1xoa h SER 11 Cb 0.03 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.98 1xoa h SER 11 CO -0.03 0.73 -0.25 0.33 -0.87 0.00 0.00 176.83 176.75 1xoa n PHE 12 N -3.37 0.18 0.19 4.77 -0.00 0.23 -0.70 117.46 118.76 1xoa n PHE 12 Ca 0.01 0.99 -0.10 0.00 -0.00 0.00 0.00 57.45 58.35 1xoa n PHE 12 Cb 0.80 -0.90 -0.05 0.00 -0.00 0.00 0.00 39.48 39.32 1xoa n PHE 12 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 1xoa h ASP 13 N 0.00 -0.69 -0.78 -2.13 3.58 -1.74 0.32 116.42 114.99 1xoa h ASP 13 Ca 0.34 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.84 1xoa h ASP 13 Cb 0.55 0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.77 1xoa h ASP 13 CO -0.82 -0.37 0.50 0.74 -2.88 0.00 0.00 179.24 176.40 1xoa h THR 14 N -0.58 1.21 0.00 2.25 2.02 -1.65 -0.17 112.91 115.99 1xoa h THR 14 Ca -0.05 -0.42 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 1xoa h THR 14 Cb 0.48 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1xoa h THR 14 CO 0.01 0.21 -0.00 0.44 0.37 0.00 0.00 175.52 176.55 1xoa h ASP 15 N 1.07 -0.01 0.00 4.18 5.19 -0.88 -3.34 116.42 122.63 1xoa h ASP 15 Ca 0.28 -0.44 -0.04 0.00 -0.62 0.00 0.00 57.03 56.21 1xoa h ASP 15 Cb -0.09 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.42 1xoa h ASP 15 CO -0.06 0.71 -0.51 0.58 -3.12 0.00 0.00 179.24 176.84 1xoa h VAL 16 N -1.00 0.30 -0.64 -1.35 2.07 -0.42 -2.78 116.25 112.43 1xoa h VAL 16 Ca -0.00 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.19 1xoa h VAL 16 Cb 0.45 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1xoa h VAL 16 CO 0.00 0.10 0.36 -0.07 0.02 0.00 0.00 177.57 177.98 1xoa h LEU 17 N -1.00 0.77 -3.89 2.57 3.38 -0.73 -0.77 115.31 115.65 1xoa h LEU 17 Ca -0.07 -0.05 -0.45 0.00 0.09 0.00 0.00 57.88 57.40 1xoa h LEU 17 Cb 0.59 -0.20 -0.27 0.00 0.09 0.00 0.00 40.66 40.87 1xoa h LEU 17 CO -0.04 0.62 0.52 0.29 0.09 0.00 0.00 178.44 179.92 1xoa n LYS 18 N -4.39 2.27 -1.68 1.13 5.02 -0.36 -3.59 118.16 116.56 1xoa n LYS 18 Ca 0.06 -3.04 -0.47 0.00 -2.02 0.00 0.00 58.31 52.83 1xoa n LYS 18 Cb 0.09 -2.13 -0.04 0.00 -0.02 0.00 0.00 35.03 32.93 1xoa n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xoa n ALA 19 N -1.09 1.03 -1.12 7.82 0.00 -0.30 -4.84 120.51 122.01 1xoa n ALA 19 Ca 0.55 0.30 -0.21 0.00 0.00 0.00 0.00 53.44 54.08 1xoa n ALA 19 Cb 1.56 -2.49 -0.12 0.00 0.00 0.00 0.00 19.45 18.40 1xoa n ALA 19 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1xoa n ASP 20 N 6.20 6.45 0.00 0.00 5.75 -1.26 -4.16 116.55 129.52 1xoa n ASP 20 Ca 0.21 -2.53 0.00 0.00 -0.01 0.00 0.00 54.79 52.47 1xoa n ASP 20 Cb 0.30 -1.46 0.00 0.00 -1.03 0.00 0.00 41.12 38.93 1xoa n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xoa n GLY 21 N 2.82 -0.13 3.44 6.12 0.00 -1.26 -5.07 105.19 111.12 1xoa n GLY 21 Ca 0.55 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.20 1xoa n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xoa s ALA 22 N -1.00 3.08 -0.20 4.61 0.00 -1.26 -0.53 121.76 126.46 1xoa s ALA 22 Ca 0.00 -1.05 -0.00 0.00 0.00 0.00 0.00 51.96 50.91 1xoa s ALA 22 Cb 0.00 -1.90 0.02 0.00 0.00 0.00 0.00 23.12 21.24 1xoa s ALA 22 CO 0.00 -0.29 -0.14 0.42 0.00 0.00 0.00 175.76 175.74 1xoa s ILE 23 N 1.26 2.46 -0.56 0.00 1.01 0.08 -0.10 121.20 125.34 1xoa s ILE 23 Ca 0.04 -0.88 -0.20 0.00 0.00 0.00 0.00 60.65 59.61 1xoa s ILE 23 Cb -0.15 -2.10 0.07 0.00 0.01 0.00 0.00 42.46 40.30 1xoa s ILE 23 CO 0.02 0.45 0.72 -0.22 0.00 0.00 0.00 174.94 175.91 1xoa s LEU 24 N 1.33 4.97 -0.38 2.97 2.96 0.29 -0.45 118.68 130.37 1xoa s LEU 24 Ca 0.04 -1.05 -0.23 0.00 -0.22 0.00 0.00 54.13 52.66 1xoa s LEU 24 Cb -0.14 -2.43 0.01 0.00 0.50 0.00 0.00 46.19 44.14 1xoa s LEU 24 CO -0.09 -1.06 0.79 -0.69 -1.32 0.00 0.00 176.35 173.98 1xoa s VAL 25 N 2.93 4.71 -0.30 1.68 1.01 0.72 -0.50 120.40 130.65 1xoa s VAL 25 Ca 0.16 0.85 -0.17 0.00 0.00 0.00 0.00 61.98 62.81 1xoa s VAL 25 Cb -0.20 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 1xoa s VAL 25 CO 0.10 -0.48 0.49 -0.62 0.00 0.00 0.00 175.10 174.59 1xoa s ASP 26 N 1.88 6.35 -0.23 3.32 3.68 0.60 -0.95 116.67 131.31 1xoa s ASP 26 Ca 0.32 0.23 -0.20 0.00 2.13 0.00 0.00 52.55 55.03 1xoa s ASP 26 Cb -0.13 -2.26 -0.02 0.00 -1.45 0.00 0.00 42.92 39.05 1xoa s ASP 26 CO 0.18 -0.36 0.59 -0.36 0.13 0.00 0.00 175.17 175.35 1xoa s PHE 27 N 2.31 3.32 0.39 -5.34 0.40 -0.01 -0.47 117.98 118.58 1xoa s PHE 27 Ca 0.19 0.81 0.05 0.00 -0.60 0.00 0.00 56.93 57.38 1xoa s PHE 27 Cb -0.16 -2.78 -0.02 0.00 0.51 0.00 0.00 43.02 40.57 1xoa s PHE 27 CO 0.11 -0.24 0.20 1.67 0.70 0.00 0.00 175.22 177.66 1xoa s TRP 28 N 2.16 1.78 0.04 0.36 1.48 -0.04 -2.06 118.94 122.65 1xoa s TRP 28 Ca 0.26 -1.47 -0.12 0.00 -1.06 0.00 0.00 56.10 53.71 1xoa s TRP 28 Cb -0.16 -0.98 0.01 0.00 -1.16 0.00 0.00 33.47 31.19 1xoa s TRP 28 CO 0.09 -0.55 0.25 0.00 -4.06 0.00 0.00 176.95 172.68 1xoa s ALA 29 N -3.27 -0.54 0.38 2.67 0.00 -1.26 -0.54 121.76 119.20 1xoa s ALA 29 Ca 0.29 -0.10 0.12 0.00 0.00 0.00 0.00 51.96 52.27 1xoa s ALA 29 Cb 0.02 0.28 0.93 0.00 0.00 0.00 0.00 23.12 24.35 1xoa s ALA 29 CO 0.20 -0.38 1.86 1.49 0.00 0.00 0.00 175.76 178.94 1xoa h GLU 30 N 3.39 0.55 -0.01 0.00 4.81 -1.98 0.68 114.58 122.02 1xoa h GLU 30 Ca -0.32 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1xoa h GLU 30 Cb 1.19 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1xoa h GLU 30 CO 0.46 0.36 -0.16 -2.67 -0.73 0.00 0.00 179.01 176.28 1xoa n TRP 31 N -4.55 0.00 -2.58 0.92 4.27 -1.26 -4.75 117.44 109.49 1xoa n TRP 31 Ca 0.18 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.36 1xoa n TRP 31 Cb 0.57 -0.15 -0.00 0.00 -1.36 0.00 0.00 31.31 30.36 1xoa n TRP 31 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1xoa h GLY 33 N 12.58 -0.71 0.29 0.00 0.00 -1.85 -0.65 103.07 112.73 1xoa h GLY 33 Ca 0.44 0.68 0.19 0.00 0.00 0.00 0.00 47.33 48.64 1xoa h GLY 33 CO 1.46 -0.09 0.60 -2.55 0.00 0.00 0.00 176.54 175.96 1xoa h PRO 34 N -0.20 0.57 -0.54 4.80 0.11 -1.95 -0.13 132.00 134.66 1xoa h PRO 34 Ca 0.15 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 1xoa h PRO 34 Cb 0.53 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.49 1xoa h PRO 34 CO -0.75 0.38 0.31 0.00 -0.21 0.00 0.00 178.00 177.72 1xoa h LYS 36 N 0.72 0.28 -0.99 0.00 1.57 -0.71 -1.60 116.57 115.83 1xoa h LYS 36 Ca 0.19 -0.06 0.15 0.00 -1.87 0.00 0.00 60.65 59.06 1xoa h LYS 36 Cb 0.02 -0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.20 1xoa h LYS 36 CO -0.03 0.39 0.62 0.52 -0.57 0.00 0.00 179.45 180.37 1xoa h MET 37 N 0.11 0.85 0.00 3.15 2.86 -0.51 0.40 114.93 121.80 1xoa h MET 37 Ca 0.06 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1xoa h MET 37 Cb 0.22 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1xoa h MET 37 CO -0.00 0.56 -0.17 0.44 1.06 0.00 0.00 176.91 178.80 1xoa n ILE 38 N -4.65 0.35 -0.18 -1.22 -5.35 -0.21 -4.32 119.36 103.77 1xoa n ILE 38 Ca 0.20 -0.19 -0.03 0.00 -0.27 0.00 0.00 62.75 62.47 1xoa n ILE 38 Cb 0.44 -0.39 0.04 0.00 -1.74 0.00 0.00 39.64 37.99 1xoa n ILE 38 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xoa h ALA 39 N 2.68 0.28 -0.72 -1.28 0.00 0.11 0.28 119.26 120.60 1xoa h ALA 39 Ca 0.00 0.20 0.12 0.00 0.00 0.00 0.00 54.91 55.24 1xoa h ALA 39 Cb 0.66 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 18.86 1xoa h ALA 39 CO 0.00 -0.49 0.30 -1.35 0.00 0.00 0.00 179.25 177.71 1xoa h PRO 40 N -0.05 0.46 0.09 0.00 0.11 -1.75 0.16 132.00 131.02 1xoa h PRO 40 Ca 0.26 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.34 1xoa h PRO 40 Cb 0.45 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.45 1xoa h PRO 40 CO -0.59 0.30 -0.07 0.82 -0.21 0.00 0.00 178.00 178.26 1xoa h ILE 41 N 0.47 0.85 -0.75 4.15 2.04 -1.29 0.47 117.51 123.45 1xoa h ILE 41 Ca 0.38 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.32 1xoa h ILE 41 Cb 0.53 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 37.39 1xoa h ILE 41 CO -0.36 0.00 0.42 -0.07 0.00 0.00 0.00 178.15 178.14 1xoa h LEU 42 N -0.16 0.61 0.28 1.44 3.38 -0.02 0.96 115.31 121.80 1xoa h LEU 42 Ca -0.00 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1xoa h LEU 42 Cb 0.15 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1xoa h LEU 42 CO -0.00 0.37 -0.14 0.44 0.09 0.00 0.00 178.44 179.20 1xoa h ASP 43 N 0.74 -0.33 -0.20 -0.43 3.32 -0.22 0.13 116.42 119.43 1xoa h ASP 43 Ca 0.35 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.46 1xoa h ASP 43 Cb 0.28 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 1xoa h ASP 43 CO -0.22 -0.24 -0.07 -0.33 -1.72 0.00 0.00 179.24 176.67 1xoa h GLU 44 N -0.38 -0.03 -0.11 3.56 5.08 -0.43 -0.48 114.58 121.77 1xoa h GLU 44 Ca -0.04 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1xoa h GLU 44 Cb 0.30 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1xoa h GLU 44 CO 0.06 -0.02 -0.09 0.82 -1.00 0.00 0.00 179.01 178.78 1xoa h ILE 45 N -0.03 0.74 -0.78 3.13 1.08 -0.68 0.12 117.51 121.08 1xoa h ILE 45 Ca 0.10 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.69 1xoa h ILE 45 Cb 0.18 0.74 -0.09 0.00 -3.07 0.00 0.00 36.82 34.59 1xoa h ILE 45 CO -0.22 0.00 0.38 0.00 -0.69 0.00 0.00 178.15 177.62 1xoa h ALA 46 N 0.99 1.13 0.51 1.87 0.00 -0.17 0.54 119.26 124.13 1xoa h ALA 46 Ca 0.07 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1xoa h ALA 46 Cb 0.21 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1xoa h ALA 46 CO -0.17 -0.09 -0.25 0.22 0.00 0.00 0.00 179.25 178.96 1xoa h ASP 47 N 0.59 -0.58 -0.65 0.00 3.58 -0.48 -2.55 116.42 116.32 1xoa h ASP 47 Ca 0.41 -0.06 0.13 0.00 0.42 0.00 0.00 57.03 57.93 1xoa h ASP 47 Cb 0.53 0.15 -0.12 0.00 1.72 0.00 0.00 39.33 41.61 1xoa h ASP 47 CO -0.33 -0.21 -0.15 -0.33 -2.88 0.00 0.00 179.24 175.34 1xoa h GLU 48 N -1.03 0.01 -0.56 0.28 5.08 -0.29 -0.61 114.58 117.46 1xoa h GLU 48 Ca -0.07 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1xoa h GLU 48 Cb 0.61 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1xoa h GLU 48 CO 0.12 0.01 0.00 0.66 -1.00 0.00 0.00 179.01 178.79 1xoa n TYR 49 N -5.43 0.82 -1.61 4.33 4.02 0.14 -4.98 117.16 114.45 1xoa n TYR 49 Ca 0.08 -0.34 -0.48 0.00 -0.01 0.00 0.00 57.90 57.16 1xoa n TYR 49 Cb 0.34 -0.14 -0.04 0.00 -0.02 0.00 0.00 39.34 39.48 1xoa n TYR 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xoa n GLN 50 N 0.58 1.44 0.00 -0.72 -0.00 -0.24 -0.44 117.38 118.00 1xoa n GLN 50 Ca 0.15 0.51 0.00 0.00 -0.00 0.00 0.00 57.00 57.66 1xoa n GLN 50 Cb 0.54 -2.07 0.00 0.00 -0.00 0.00 0.00 30.24 28.70 1xoa n GLN 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1xoa n GLY 51 N 2.12 2.81 0.13 2.61 0.00 -1.26 -4.69 105.19 106.91 1xoa n GLY 51 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 1xoa n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xoa n LYS 52 N -0.15 0.66 -4.14 1.61 5.02 0.17 -4.99 118.16 116.34 1xoa n LYS 52 Ca 0.00 0.17 -0.16 0.00 -2.02 0.00 0.00 58.31 56.30 1xoa n LYS 52 Cb 0.00 -1.54 -0.12 0.00 -0.02 0.00 0.00 35.03 33.35 1xoa n LYS 52 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1xoa s LEU 53 N -6.61 2.25 0.07 -0.35 2.96 0.42 -4.20 118.68 113.22 1xoa s LEU 53 Ca -0.34 -0.56 0.08 0.00 -0.22 0.00 0.00 54.13 53.10 1xoa s LEU 53 Cb 0.09 -0.36 -0.03 0.00 0.50 0.00 0.00 46.19 46.39 1xoa s LEU 53 CO 0.61 -0.12 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.42 1xoa s THR 54 N -1.24 1.76 0.15 3.68 2.01 0.86 -4.14 115.64 118.72 1xoa s THR 54 Ca -0.05 -1.39 0.10 0.00 0.31 0.00 0.00 61.69 60.66 1xoa s THR 54 Cb -0.10 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 1xoa s THR 54 CO 0.01 0.10 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.12 1xoa s VAL 55 N -0.96 2.12 0.02 3.82 1.01 -1.07 -0.55 120.40 124.80 1xoa s VAL 55 Ca 0.08 -1.84 0.00 0.00 0.00 0.00 0.00 61.98 60.21 1xoa s VAL 55 Cb -0.09 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 1xoa s VAL 55 CO 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 175.10 175.02 1xoa s ALA 56 N -1.45 0.18 -0.31 5.51 0.00 0.35 -0.72 121.76 125.31 1xoa s ALA 56 Ca 0.15 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1xoa s ALA 56 Cb -0.09 0.16 0.10 0.00 0.00 0.00 0.00 23.12 23.29 1xoa s ALA 56 CO 0.07 -0.17 0.08 0.15 0.00 0.00 0.00 175.76 175.89 1xoa s LYS 57 N -1.72 0.93 -0.26 0.00 1.02 0.19 -0.29 119.74 119.61 1xoa s LYS 57 Ca -0.13 -1.26 -0.13 0.00 0.02 0.00 0.00 55.97 54.47 1xoa s LYS 57 Cb -0.08 -2.31 -0.04 0.00 -0.52 0.00 0.00 37.83 34.87 1xoa s LYS 57 CO -0.02 -0.96 0.27 -1.17 -0.92 0.00 0.00 175.35 172.55 1xoa s LEU 58 N 1.43 4.06 -0.51 3.17 0.20 0.38 -3.96 118.68 123.46 1xoa s LEU 58 Ca 0.09 0.18 -0.27 0.00 0.69 0.00 0.00 54.13 54.82 1xoa s LEU 58 Cb -0.18 -2.26 0.03 0.00 -0.43 0.00 0.00 46.19 43.35 1xoa s LEU 58 CO -0.20 -0.07 1.05 0.21 -0.29 0.00 0.00 176.35 177.05 1xoa s ASN 59 N 1.48 6.50 0.51 3.68 3.84 -1.26 -0.86 114.94 128.83 1xoa s ASN 59 Ca 0.11 0.14 0.26 0.00 0.21 0.00 0.00 52.86 53.58 1xoa s ASN 59 Cb -0.15 -2.50 1.39 0.00 -0.55 0.00 0.00 41.25 39.44 1xoa s ASN 59 CO 0.09 -1.24 2.05 0.16 -2.79 0.00 0.00 177.10 175.37 1xoa h ILE 60 N 6.14 0.61 -0.43 -5.21 3.07 -1.04 0.34 117.51 120.98 1xoa h ILE 60 Ca -0.24 -0.57 -0.04 0.00 1.55 0.00 0.00 64.86 65.56 1xoa h ILE 60 Cb 1.07 1.37 -0.02 0.00 -0.27 0.00 0.00 36.82 38.96 1xoa h ILE 60 CO 1.10 0.13 0.11 0.44 -1.05 0.00 0.00 178.15 178.88 1xoa h ASP 61 N 0.00 0.64 0.29 2.16 3.32 -1.91 -0.70 116.42 120.22 1xoa h ASP 61 Ca -0.00 -0.22 -0.21 0.00 0.02 0.00 0.00 57.03 56.62 1xoa h ASP 61 Cb 0.36 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1xoa h ASP 61 CO 0.02 0.70 -0.85 1.56 -1.72 0.00 0.00 179.24 178.94 1xoa h GLN 62 N 0.56 0.42 -2.20 3.56 4.20 -1.86 -3.38 115.11 116.41 1xoa h GLN 62 Ca 0.14 -0.41 -0.60 0.00 0.06 0.00 0.00 58.65 57.84 1xoa h GLN 62 Cb 0.30 0.10 -0.42 0.00 0.30 0.00 0.00 27.48 27.77 1xoa h GLN 62 CO -0.00 1.06 -0.62 0.09 -0.67 0.00 0.00 178.83 178.69 1xoa n ASN 63 N -3.79 3.78 -0.26 1.46 3.02 0.08 -4.91 115.26 114.64 1xoa n ASN 63 Ca -0.06 -3.47 -0.05 0.00 -0.03 0.00 0.00 54.58 50.97 1xoa n ASN 63 Cb 0.78 -0.65 0.06 0.00 -0.61 0.00 0.00 39.78 39.36 1xoa n ASN 63 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1xoa h PRO 64 N 3.94 0.99 -1.12 3.52 0.13 -1.32 -2.92 132.00 135.23 1xoa h PRO 64 Ca 0.18 -0.11 0.34 0.00 -0.87 0.00 0.00 66.00 65.55 1xoa h PRO 64 Cb 0.64 -0.20 -0.13 0.00 0.13 0.00 0.00 31.00 31.44 1xoa h PRO 64 CO 0.82 0.73 0.69 0.78 -0.23 0.00 0.00 178.00 180.79 1xoa h GLY 65 N 0.99 1.56 2.00 1.56 0.00 -1.91 0.59 103.07 107.85 1xoa h GLY 65 Ca 0.26 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.36 1xoa h GLY 65 CO -0.04 -0.35 -0.19 -0.84 0.00 0.00 0.00 176.54 175.11 1xoa h THR 66 N 0.27 0.38 0.86 4.70 2.02 -1.89 -3.36 112.91 115.90 1xoa h THR 66 Ca 0.72 -1.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.61 1xoa h THR 66 Cb 1.91 1.94 0.01 0.00 -1.74 0.00 0.00 68.15 70.27 1xoa h THR 66 CO -0.45 0.19 -0.41 0.00 0.37 0.00 0.00 175.52 175.21 1xoa h ALA 67 N 1.81 -1.16 -0.64 6.16 0.00 -0.99 -3.16 119.26 121.28 1xoa h ALA 67 Ca -0.00 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 54.78 1xoa h ALA 67 Cb 0.93 0.45 -0.09 0.00 0.00 0.00 0.00 17.79 19.08 1xoa h ALA 67 CO 0.02 -1.11 0.13 -1.35 0.00 0.00 0.00 179.25 176.95 1xoa h PRO 68 N -1.24 0.25 -0.83 0.00 0.11 -1.71 0.23 132.00 128.80 1xoa h PRO 68 Ca -0.12 -0.02 0.21 0.00 0.11 0.00 0.00 66.00 66.18 1xoa h PRO 68 Cb 0.90 -0.06 -0.14 0.00 0.11 0.00 0.00 31.00 31.81 1xoa h PRO 68 CO 0.19 0.17 0.08 0.87 -0.21 0.00 0.00 178.00 179.11 1xoa h LYS 69 N 0.26 0.12 -0.48 1.05 1.57 -1.69 0.24 116.57 117.64 1xoa h LYS 69 Ca 0.34 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.95 1xoa h LYS 69 Cb 0.53 -0.03 -0.10 0.00 0.08 0.00 0.00 32.23 32.71 1xoa h LYS 69 CO -0.43 0.08 0.10 0.66 -0.57 0.00 0.00 179.45 179.29 1xoa n TYR 70 N -5.33 1.56 -4.08 -1.35 4.01 -1.01 -4.97 117.16 106.00 1xoa n TYR 70 Ca 0.18 -1.30 -0.30 0.00 -0.16 0.00 0.00 57.90 56.32 1xoa n TYR 70 Cb 0.59 -0.53 -0.03 0.00 -0.31 0.00 0.00 39.34 39.06 1xoa n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xoa n GLY 71 N -0.70 -0.30 3.43 2.72 0.00 0.07 -4.81 105.19 105.61 1xoa n GLY 71 Ca 0.34 0.15 -0.38 0.00 0.00 0.00 0.00 46.02 46.13 1xoa n GLY 71 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xoa n ILE 72 N -4.42 3.00 1.28 -0.61 2.08 0.01 -4.62 119.36 116.09 1xoa n ILE 72 Ca -0.17 -3.02 0.13 0.00 0.56 0.00 0.00 62.75 60.24 1xoa n ILE 72 Cb 0.62 -2.32 0.40 0.00 -0.75 0.00 0.00 39.64 37.59 1xoa n ILE 72 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1xoa n ARG 73 N 7.95 0.96 -3.56 0.38 5.12 -1.26 -4.81 116.66 121.44 1xoa n ARG 73 Ca 0.48 -0.56 -0.16 0.00 -1.93 0.00 0.00 57.85 55.68 1xoa n ARG 73 Cb 0.45 -1.49 -0.06 0.00 -1.16 0.00 0.00 32.46 30.20 1xoa n ARG 73 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1xoa s GLY 74 N -2.43 -0.55 0.09 -0.13 0.00 -1.26 -5.19 107.32 97.86 1xoa s GLY 74 Ca 0.26 1.59 0.03 0.00 0.00 0.00 0.00 44.72 46.61 1xoa s GLY 74 CO 0.49 1.22 -0.10 -0.26 0.00 0.00 0.00 173.10 174.45 1xoa s ILE 75 N -0.68 0.88 0.17 0.90 -4.36 -1.26 -4.18 121.20 112.67 1xoa s ILE 75 Ca -0.07 -1.57 -0.31 0.00 -0.26 0.00 0.00 60.65 58.44 1xoa s ILE 75 Cb -0.02 -1.27 -0.09 0.00 1.25 0.00 0.00 42.46 42.33 1xoa s ILE 75 CO 0.07 -0.54 1.42 -2.16 0.24 0.00 0.00 174.94 173.96 1xoa s PRO 76 N -2.66 4.30 0.01 0.37 0.04 -1.26 -4.75 135.00 131.05 1xoa s PRO 76 Ca 0.04 2.18 0.01 0.00 0.04 0.00 0.00 61.00 63.27 1xoa s PRO 76 Cb -0.04 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 1xoa s PRO 76 CO -0.00 -0.43 0.03 0.99 0.04 0.00 0.00 177.00 177.63 1xoa s THR 77 N 0.63 4.35 -0.31 1.26 2.01 -0.87 -0.34 115.64 122.37 1xoa s THR 77 Ca 0.63 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 62.03 1xoa s THR 77 Cb -0.39 -2.98 0.10 0.00 0.01 0.00 0.00 72.50 69.23 1xoa s THR 77 CO 0.35 0.32 0.08 -0.76 -0.69 0.00 0.00 174.62 173.93 1xoa s LEU 78 N -1.76 2.68 -0.25 4.42 1.43 0.55 -0.83 118.68 124.93 1xoa s LEU 78 Ca 0.22 -1.71 -0.07 0.00 -1.03 0.00 0.00 54.13 51.54 1xoa s LEU 78 Cb -0.12 -1.00 -0.03 0.00 0.03 0.00 0.00 46.19 45.07 1xoa s LEU 78 CO 0.13 -0.40 0.06 -0.76 0.23 0.00 0.00 176.35 175.60 1xoa s LEU 79 N 1.49 3.39 -0.47 1.79 1.02 -0.13 -0.71 118.68 125.06 1xoa s LEU 79 Ca 0.09 -0.24 -0.18 0.00 0.02 0.00 0.00 54.13 53.82 1xoa s LEU 79 Cb -0.18 -1.90 0.04 0.00 0.02 0.00 0.00 46.19 44.18 1xoa s LEU 79 CO -0.21 -0.04 0.54 -0.22 0.02 0.00 0.00 176.35 176.44 1xoa s LEU 80 N 1.60 4.95 -0.51 1.79 2.96 -0.05 -0.20 118.68 129.22 1xoa s LEU 80 Ca 0.06 -0.81 -0.17 0.00 -0.22 0.00 0.00 54.13 52.99 1xoa s LEU 80 Cb -0.15 -2.43 0.08 0.00 0.50 0.00 0.00 46.19 44.19 1xoa s LEU 80 CO 0.03 -0.75 0.52 -0.36 -1.32 0.00 0.00 176.35 174.47 1xoa s PHE 81 N 2.38 3.15 -0.58 5.38 0.40 0.40 -0.15 117.98 128.98 1xoa s PHE 81 Ca 0.14 -0.86 -0.24 0.00 -0.60 0.00 0.00 56.93 55.37 1xoa s PHE 81 Cb -0.18 -3.47 0.05 0.00 0.51 0.00 0.00 43.02 39.92 1xoa s PHE 81 CO 0.13 -0.96 0.94 0.15 0.70 0.00 0.00 175.22 176.18 1xoa s LYS 82 N 2.07 3.27 -1.38 0.44 1.02 0.49 -0.74 119.74 124.89 1xoa s LYS 82 Ca 0.08 -0.42 -0.02 0.00 0.02 0.00 0.00 55.97 55.63 1xoa s LYS 82 Cb -0.23 -4.10 0.00 0.00 -0.52 0.00 0.00 37.83 32.98 1xoa s LYS 82 CO 0.08 -1.56 0.44 -1.71 -0.92 0.00 0.00 175.35 171.68 1xoa n ASN 83 N 7.49 -0.71 0.00 2.83 4.05 0.31 -0.52 115.26 128.71 1xoa n ASN 83 Ca 0.00 -1.02 0.00 0.00 0.45 0.00 0.00 54.58 54.01 1xoa n ASN 83 Cb 0.47 -3.02 0.00 0.00 1.23 0.00 0.00 39.78 38.46 1xoa n ASN 83 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1xoa n GLY 84 N -1.98 3.02 3.61 8.20 0.00 -1.15 -4.78 105.19 112.11 1xoa n GLY 84 Ca -0.29 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 1xoa n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xoa s GLU 85 N -0.04 3.83 -0.46 1.61 2.02 0.32 -4.86 118.70 121.13 1xoa s GLU 85 Ca 0.00 0.71 -0.27 0.00 0.02 0.00 0.00 54.97 55.44 1xoa s GLU 85 Cb 0.00 -3.85 -0.05 0.00 0.10 0.00 0.00 34.13 30.33 1xoa s GLU 85 CO 0.00 -1.20 2.21 0.08 0.02 0.00 0.00 175.26 176.37 1xoa s VAL 86 N 4.12 3.12 -0.00 2.63 1.01 -1.26 -0.38 120.40 129.64 1xoa s VAL 86 Ca 0.46 0.09 -0.19 0.00 0.00 0.00 0.00 61.98 62.34 1xoa s VAL 86 Cb -0.09 -3.27 -0.31 0.00 0.00 0.00 0.00 36.38 32.71 1xoa s VAL 86 CO 0.26 -0.24 0.99 0.00 0.00 0.00 0.00 175.10 176.10 1xoa h ALA 87 N 17.27 -0.07 -2.42 5.51 0.00 -0.90 -3.48 119.26 135.17 1xoa h ALA 87 Ca -0.28 -0.74 -0.06 0.00 0.00 0.00 0.00 54.91 53.83 1xoa h ALA 87 Cb 1.23 0.11 -0.17 0.00 0.00 0.00 0.00 17.79 18.97 1xoa h ALA 87 CO 1.13 0.52 0.07 0.00 0.00 0.00 0.00 179.25 180.97 1xoa s ALA 88 N -2.69 -1.43 -0.15 0.00 0.00 -1.23 -5.03 121.76 111.24 1xoa s ALA 88 Ca -0.12 0.76 -0.02 0.00 0.00 0.00 0.00 51.96 52.59 1xoa s ALA 88 Cb 0.03 0.31 0.04 0.00 0.00 0.00 0.00 23.12 23.50 1xoa s ALA 88 CO 0.88 -0.48 -0.01 0.95 0.00 0.00 0.00 175.76 177.11 1xoa s THR 89 N -2.16 0.71 -0.00 0.00 -4.23 -1.26 -0.87 115.64 107.83 1xoa s THR 89 Ca -0.07 -0.39 0.02 0.00 -1.18 0.00 0.00 61.69 60.07 1xoa s THR 89 Cb -0.01 -0.99 -0.03 0.00 1.34 0.00 0.00 72.50 72.81 1xoa s THR 89 CO 0.01 0.06 -0.05 -0.75 -0.54 0.00 0.00 174.62 173.35 1xoa s LYS 90 N 1.80 2.63 -0.11 3.99 2.36 0.11 -4.97 119.74 125.55 1xoa s LYS 90 Ca 0.01 -0.68 0.03 0.00 -2.55 0.00 0.00 55.97 52.79 1xoa s LYS 90 Cb -0.15 -2.56 0.01 0.00 -1.05 0.00 0.00 37.83 34.08 1xoa s LYS 90 CO -0.07 0.61 -0.21 0.08 1.55 0.00 0.00 175.35 177.31 1xoa s VAL 91 N -1.01 1.92 0.00 4.02 1.01 -1.26 -0.33 120.40 124.75 1xoa s VAL 91 Ca 0.17 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1xoa s VAL 91 Cb -0.11 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.58 1xoa s VAL 91 CO 0.08 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.31 1xoa n GLY 92 N 3.83 0.70 3.73 4.51 0.00 0.54 -5.02 105.19 113.47 1xoa n GLY 92 Ca -0.20 -1.86 -0.29 0.00 0.00 0.00 0.00 46.02 43.67 1xoa n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xoa s ALA 93 N -2.26 1.59 0.21 4.61 0.00 -1.26 -4.82 121.76 119.83 1xoa s ALA 93 Ca 0.00 -0.20 -0.22 0.00 0.00 0.00 0.00 51.96 51.53 1xoa s ALA 93 Cb 0.00 -3.14 0.05 0.00 0.00 0.00 0.00 23.12 20.03 1xoa s ALA 93 CO 0.00 -2.32 0.68 -0.48 0.00 0.00 0.00 175.76 173.64 1xoa s LEU 94 N -6.16 -0.41 0.72 0.00 2.34 -1.26 -5.14 118.68 108.77 1xoa s LEU 94 Ca 0.63 -0.30 -0.11 0.00 0.06 0.00 0.00 54.13 54.41 1xoa s LEU 94 Cb -0.17 2.63 0.02 0.00 -0.56 0.00 0.00 46.19 48.12 1xoa s LEU 94 CO 0.56 -1.14 1.08 -0.94 -1.06 0.00 0.00 176.35 174.85 1xoa s SER 95 N -2.83 5.02 0.23 1.48 1.04 -1.26 -4.84 113.70 112.54 1xoa s SER 95 Ca 0.06 1.75 -0.07 0.00 0.48 0.00 0.00 55.95 58.17 1xoa s SER 95 Cb -0.03 -2.51 0.31 0.00 0.10 0.00 0.00 66.02 63.88 1xoa s SER 95 CO -0.03 -1.69 1.84 0.50 0.98 0.00 0.00 173.24 174.84 1xoa h LYS 96 N -0.75 0.84 0.21 4.02 3.64 -1.99 0.00 116.57 122.54 1xoa h LYS 96 Ca -0.44 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 58.90 1xoa h LYS 96 Cb 1.22 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 1xoa h LYS 96 CO 0.54 0.56 -0.27 0.78 -2.27 0.00 0.00 179.45 178.80 1xoa h GLY 97 N 0.87 -0.55 0.54 5.01 0.00 -1.99 0.16 103.07 107.10 1xoa h GLY 97 Ca 0.35 0.31 0.06 0.00 0.00 0.00 0.00 47.33 48.05 1xoa h GLY 97 CO -0.18 -0.23 0.14 1.46 0.00 0.00 0.00 176.54 177.73 1xoa h GLN 98 N -0.53 0.30 0.02 4.80 4.20 -1.81 -0.32 115.11 121.77 1xoa h GLN 98 Ca 0.01 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1xoa h GLN 98 Cb 0.51 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1xoa h GLN 98 CO -0.10 0.20 -0.04 1.25 -0.67 0.00 0.00 178.83 179.47 1xoa h LEU 99 N 0.31 -0.10 -0.38 1.46 5.85 -0.63 0.82 115.31 122.63 1xoa h LEU 99 Ca 0.22 0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.01 1xoa h LEU 99 Cb 0.24 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 1xoa h LEU 99 CO -0.24 -0.06 0.07 0.11 -0.34 0.00 0.00 178.44 177.98 1xoa h LYS 100 N -0.07 0.18 0.25 1.25 1.57 -0.28 0.41 116.57 119.88 1xoa h LYS 100 Ca 0.01 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1xoa h LYS 100 Cb 0.08 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1xoa h LYS 100 CO -0.03 0.12 -0.17 1.49 -0.57 0.00 0.00 179.45 180.29 1xoa h GLU 101 N 0.19 -0.40 -0.23 3.15 4.57 -0.80 0.53 114.58 121.59 1xoa h GLU 101 Ca 0.18 0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.45 1xoa h GLU 101 Cb 0.22 0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 28.83 1xoa h GLU 101 CO -0.25 -0.27 -0.24 0.35 -1.18 0.00 0.00 179.01 177.42 1xoa h PHE 102 N -0.42 -0.64 0.10 0.92 3.57 -0.46 0.11 116.94 120.12 1xoa h PHE 102 Ca -0.02 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1xoa h PHE 102 Cb 0.36 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 1xoa h PHE 102 CO -0.10 -0.32 -0.11 -0.07 -2.23 0.00 0.00 178.31 175.48 1xoa h LEU 103 N -0.26 -0.29 -0.14 0.59 3.38 -0.75 -0.40 115.31 117.45 1xoa h LEU 103 Ca 0.13 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.18 1xoa h LEU 103 Cb 0.46 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 1xoa h LEU 103 CO -0.38 -0.17 -0.15 -0.78 0.09 0.00 0.00 178.44 177.05 1xoa h ASP 104 N -0.24 -0.48 -0.90 -0.43 3.58 -0.47 0.14 116.42 117.63 1xoa h ASP 104 Ca 0.01 0.09 0.07 0.00 0.42 0.00 0.00 57.03 57.62 1xoa h ASP 104 Cb 0.23 0.23 -0.06 0.00 1.72 0.00 0.00 39.33 41.45 1xoa h ASP 104 CO -0.04 -0.20 0.58 0.00 -2.88 0.00 0.00 179.24 176.71 1xoa h ALA 105 N 0.87 1.55 0.09 -0.78 0.00 -0.58 0.86 119.26 121.28 1xoa h ALA 105 Ca 0.10 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 1xoa h ALA 105 Cb 0.33 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 17.89 1xoa h ALA 105 CO -0.25 0.30 -0.79 -0.91 0.00 0.00 0.00 179.25 177.59 1xoa h ASN 106 N 0.98 0.54 -0.24 0.00 2.35 -0.41 -3.32 115.58 115.47 1xoa h ASN 106 Ca 0.40 -0.87 -0.01 0.00 -0.55 0.00 0.00 56.30 55.26 1xoa h ASN 106 Cb 0.26 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1xoa h ASN 106 CO -0.16 1.36 0.11 -0.07 -1.65 0.00 0.00 177.43 177.02 1xoa h LEU 107 N -0.21 0.32 0.00 1.61 3.38 -0.50 -3.51 115.31 116.39 1xoa h LEU 107 Ca -0.13 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1xoa h LEU 107 Cb 1.56 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.23 1xoa h LEU 107 CO 0.15 0.36 0.00 0.00 0.09 0.00 0.00 178.44 179.05