#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 2.13 -2.38 6.43 -0.08 -1.26 -3.96 116.55 117.43 1xoa n ASP 2 Ca 0.00 -0.58 -0.20 0.00 -1.51 0.00 0.00 54.79 52.50 1xoa n ASP 2 Cb 0.00 -1.55 0.02 0.00 2.34 0.00 0.00 41.12 41.92 1xoa n ASP 2 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1xoa n LYS 3 N 8.94 3.00 -3.64 -0.67 5.02 -1.26 -5.07 118.16 124.47 1xoa n LYS 3 Ca 0.40 -4.10 -0.36 0.00 -2.02 0.00 0.00 58.31 52.23 1xoa n LYS 3 Cb 0.51 -2.05 -0.06 0.00 -0.02 0.00 0.00 35.03 33.41 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 -4.67 5.18 -0.34 -0.18 1.01 -1.26 -4.65 121.20 116.28 1xoa s ILE 4 Ca 0.44 0.46 -0.20 0.00 0.00 0.00 0.00 60.65 61.35 1xoa s ILE 4 Cb 0.40 -3.61 -0.00 0.00 0.01 0.00 0.00 42.46 39.26 1xoa s ILE 4 CO -0.06 0.44 0.62 -0.63 0.00 0.00 0.00 174.94 175.31 1xoa s ILE 5 N -1.23 4.91 -0.81 2.92 -1.09 -0.26 -4.88 121.20 120.76 1xoa s ILE 5 Ca 0.26 0.63 -0.23 0.00 -2.23 0.00 0.00 60.65 59.08 1xoa s ILE 5 Cb -0.14 -4.05 0.07 0.00 -1.58 0.00 0.00 42.46 36.76 1xoa s ILE 5 CO 0.14 -0.26 1.18 -1.00 -1.23 0.00 0.00 174.94 173.77 1xoa s HIS 6 N 2.66 2.63 0.54 3.97 3.76 -1.26 -0.35 115.29 127.24 1xoa s HIS 6 Ca 0.24 -0.66 -0.05 0.00 -0.15 0.00 0.00 55.06 54.44 1xoa s HIS 6 Cb -0.15 -4.47 -0.01 0.00 1.11 0.00 0.00 32.58 29.07 1xoa s HIS 6 CO 0.14 -1.79 0.84 -0.51 -0.85 0.00 0.00 174.74 172.57 1xoa s LEU 7 N 4.41 3.41 0.20 0.89 1.43 0.07 -4.98 118.68 124.10 1xoa s LEU 7 Ca 0.33 0.73 0.06 0.00 -1.03 0.00 0.00 54.13 54.22 1xoa s LEU 7 Cb -0.08 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.48 1xoa s LEU 7 CO 0.03 -0.87 -0.12 0.42 0.23 0.00 0.00 176.35 176.04 1xoa s THR 8 N -2.86 1.53 0.15 5.49 -4.23 -1.26 -4.42 115.64 110.05 1xoa s THR 8 Ca 0.51 -2.15 -0.20 0.00 -1.18 0.00 0.00 61.69 58.67 1xoa s THR 8 Cb -0.10 -2.04 0.05 0.00 1.34 0.00 0.00 72.50 71.75 1xoa s THR 8 CO 0.44 -0.60 1.65 -0.78 -0.54 0.00 0.00 174.62 174.79 1xoa h ASP 9 N 2.60 -0.55 -0.64 3.99 1.82 -1.93 0.11 116.42 121.82 1xoa h ASP 9 Ca -0.38 0.12 0.09 0.00 -0.39 0.00 0.00 57.03 56.48 1xoa h ASP 9 Cb 1.21 0.29 -0.07 0.00 0.68 0.00 0.00 39.33 41.45 1xoa h ASP 9 CO 0.63 -0.20 0.27 0.44 -1.61 0.00 0.00 179.24 178.77 1xoa h ASP 10 N -0.13 0.31 1.24 2.28 5.19 -2.00 -2.31 116.42 120.99 1xoa h ASP 10 Ca 0.16 0.07 -0.13 0.00 -0.62 0.00 0.00 57.03 56.51 1xoa h ASP 10 Cb 0.37 0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.89 1xoa h ASP 10 CO -0.38 0.18 -0.62 0.77 -3.12 0.00 0.00 179.24 176.07 1xoa h SER 11 N 0.47 0.00 -0.04 6.45 4.64 -1.79 -3.41 113.55 119.87 1xoa h SER 11 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1xoa h SER 11 Cb 0.37 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1xoa h SER 11 CO -0.29 0.62 -0.02 0.33 -0.87 0.00 0.00 176.83 176.60 1xoa n PHE 12 N -3.32 -0.02 0.14 4.77 -0.00 0.33 -0.51 117.46 118.85 1xoa n PHE 12 Ca 0.01 0.05 -0.17 0.00 -0.00 0.00 0.00 57.45 57.34 1xoa n PHE 12 Cb 0.75 -0.36 -0.10 0.00 -0.00 0.00 0.00 39.48 39.77 1xoa n PHE 12 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 1xoa h ASP 13 N 0.00 -1.55 -0.86 -2.13 5.19 -1.79 0.31 116.42 115.60 1xoa h ASP 13 Ca 0.01 0.16 0.16 0.00 -0.62 0.00 0.00 57.03 56.73 1xoa h ASP 13 Cb 0.02 0.56 -0.10 0.00 0.18 0.00 0.00 39.33 39.99 1xoa h ASP 13 CO -0.04 -0.57 0.43 0.74 -3.12 0.00 0.00 179.24 176.68 1xoa h THR 14 N -0.78 0.69 0.00 0.35 2.02 -1.68 0.01 112.91 113.52 1xoa h THR 14 Ca -0.01 -0.20 -0.05 0.00 0.77 0.00 0.00 66.41 66.91 1xoa h THR 14 Cb 0.77 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1xoa h THR 14 CO -0.26 0.11 -0.34 0.44 0.37 0.00 0.00 175.52 175.84 1xoa h ASP 15 N 0.59 0.00 0.02 4.18 5.19 -0.48 -3.36 116.42 122.56 1xoa h ASP 15 Ca 0.48 -0.57 -0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1xoa h ASP 15 Cb 0.72 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.23 1xoa h ASP 15 CO -0.39 0.98 -0.01 0.58 -3.12 0.00 0.00 179.24 177.29 1xoa h VAL 16 N -1.00 0.22 -0.24 -1.35 2.07 -0.35 -3.20 116.25 112.40 1xoa h VAL 16 Ca -0.08 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.27 1xoa h VAL 16 Cb 0.81 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1xoa h VAL 16 CO -0.05 0.07 0.03 -0.07 0.02 0.00 0.00 177.57 177.58 1xoa h LEU 17 N -1.00 0.31 -0.05 2.57 3.38 -1.06 -0.58 115.31 118.89 1xoa h LEU 17 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1xoa h LEU 17 Cb 0.14 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1xoa h LEU 17 CO 0.00 0.35 -0.03 0.29 0.09 0.00 0.00 178.44 179.14 1xoa n LYS 18 N -4.37 0.48 -2.24 1.13 4.76 -1.12 -4.18 118.16 112.61 1xoa n LYS 18 Ca 0.00 -0.05 -0.36 0.00 -2.87 0.00 0.00 58.31 55.04 1xoa n LYS 18 Cb 0.18 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.83 1xoa n LYS 18 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xoa s ALA 19 N -2.55 2.23 -1.24 7.82 0.00 -0.23 -4.86 121.76 122.94 1xoa s ALA 19 Ca 0.29 -1.37 -0.13 0.00 0.00 0.00 0.00 51.96 50.75 1xoa s ALA 19 Cb 0.20 -4.42 -0.06 0.00 0.00 0.00 0.00 23.12 18.85 1xoa s ALA 19 CO 0.47 -4.01 2.35 -3.47 0.00 0.00 0.00 175.76 171.10 1xoa n ASP 20 N 11.71 5.22 0.00 0.00 2.03 -1.26 -2.91 116.55 131.34 1xoa n ASP 20 Ca 0.25 -2.61 0.00 0.00 0.52 0.00 0.00 54.79 52.95 1xoa n ASP 20 Cb 0.50 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 1xoa n ASP 20 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xoa n GLY 21 N 3.96 2.05 3.20 0.27 0.00 -1.26 -4.93 105.19 108.47 1xoa n GLY 21 Ca 0.57 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 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 2.66 -0.10 4.61 0.00 -1.26 -0.04 121.76 126.63 1xoa s ALA 22 Ca 0.00 -1.42 0.01 0.00 0.00 0.00 0.00 51.96 50.55 1xoa s ALA 22 Cb 0.00 -1.63 -0.02 0.00 0.00 0.00 0.00 23.12 21.47 1xoa s ALA 22 CO 0.00 -0.74 -0.12 0.42 0.00 0.00 0.00 175.76 175.33 1xoa s ILE 23 N 1.33 3.23 -0.37 0.00 1.01 0.01 -0.51 121.20 125.90 1xoa s ILE 23 Ca 0.01 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 60.03 1xoa s ILE 23 Cb -0.16 -2.33 0.10 0.00 0.01 0.00 0.00 42.46 40.07 1xoa s ILE 23 CO -0.05 0.55 0.13 -0.22 0.00 0.00 0.00 174.94 175.35 1xoa s LEU 24 N -0.12 4.90 -0.35 2.97 1.98 -0.07 0.08 118.68 128.08 1xoa s LEU 24 Ca -0.01 -1.93 -0.19 0.00 -2.89 0.00 0.00 54.13 49.12 1xoa s LEU 24 Cb -0.14 -1.76 -0.00 0.00 0.66 0.00 0.00 46.19 44.95 1xoa s LEU 24 CO 0.03 -0.46 0.56 -0.69 -1.89 0.00 0.00 176.35 173.91 1xoa s VAL 25 N 1.10 4.97 -0.48 1.68 1.01 0.16 -0.21 120.40 128.63 1xoa s VAL 25 Ca 0.06 0.44 -0.19 0.00 0.00 0.00 0.00 61.98 62.29 1xoa s VAL 25 Cb -0.21 -4.00 0.04 0.00 0.00 0.00 0.00 36.38 32.21 1xoa s VAL 25 CO -0.05 -0.25 0.61 -0.62 0.00 0.00 0.00 175.10 174.80 1xoa s ASP 26 N 1.77 6.25 -0.09 3.32 2.15 0.31 -0.70 116.67 129.67 1xoa s ASP 26 Ca 0.21 -0.72 -0.30 0.00 0.43 0.00 0.00 52.55 52.17 1xoa s ASP 26 Cb -0.15 -2.29 -0.02 0.00 -0.30 0.00 0.00 42.92 40.16 1xoa s ASP 26 CO 0.14 -0.82 1.01 -0.36 -0.17 0.00 0.00 175.17 174.97 1xoa s PHE 27 N 2.63 3.52 0.35 -5.34 0.40 -0.11 -2.23 117.98 117.21 1xoa s PHE 27 Ca 0.17 1.59 0.05 0.00 -0.60 0.00 0.00 56.93 58.15 1xoa s PHE 27 Cb -0.17 -3.19 -0.03 0.00 0.51 0.00 0.00 43.02 40.14 1xoa s PHE 27 CO 0.14 -0.24 0.21 1.67 0.70 0.00 0.00 175.22 177.70 1xoa s TRP 28 N 1.87 1.73 0.03 0.36 1.48 -0.05 -3.33 118.94 121.03 1xoa s TRP 28 Ca 0.49 -1.50 -0.14 0.00 -1.06 0.00 0.00 56.10 53.89 1xoa s TRP 28 Cb -0.19 -0.88 0.02 0.00 -1.16 0.00 0.00 33.47 31.26 1xoa s TRP 28 CO 0.20 -0.64 0.30 0.00 -4.06 0.00 0.00 176.95 172.75 1xoa s ALA 29 N -3.40 -0.68 0.39 2.67 0.00 -1.26 -0.48 121.76 119.00 1xoa s ALA 29 Ca 0.34 0.06 0.14 0.00 0.00 0.00 0.00 51.96 52.49 1xoa s ALA 29 Cb 0.03 0.26 0.97 0.00 0.00 0.00 0.00 23.12 24.38 1xoa s ALA 29 CO 0.22 -0.38 1.87 1.49 0.00 0.00 0.00 175.76 178.96 1xoa h GLU 30 N 3.38 0.51 -0.01 0.00 4.57 -1.99 0.58 114.58 121.62 1xoa h GLU 30 Ca -0.31 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.84 1xoa h GLU 30 Cb 1.19 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1xoa h GLU 30 CO 0.45 0.34 -0.11 -2.67 -1.18 0.00 0.00 179.01 175.84 1xoa n TRP 31 N -4.54 0.00 -2.39 0.92 4.27 -1.26 -4.75 117.44 109.70 1xoa n TRP 31 Ca 0.18 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.37 1xoa n TRP 31 Cb 0.58 -0.06 -0.00 0.00 -1.36 0.00 0.00 31.31 30.46 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 12.30 -0.55 0.36 0.00 0.00 -1.85 0.75 103.07 114.08 1xoa h GLY 33 Ca 0.46 0.67 0.19 0.00 0.00 0.00 0.00 47.33 48.65 1xoa h GLY 33 CO 1.54 -0.08 0.59 -2.55 0.00 0.00 0.00 176.54 176.03 1xoa h PRO 34 N -0.10 0.47 -0.39 4.80 0.11 -1.97 0.31 132.00 135.24 1xoa h PRO 34 Ca 0.20 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 1xoa h PRO 34 Cb 0.51 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 1xoa h PRO 34 CO -0.85 0.31 0.19 0.00 -0.21 0.00 0.00 178.00 177.44 1xoa h LYS 36 N 0.49 0.94 -0.45 0.00 1.79 -0.49 0.12 116.57 118.98 1xoa h LYS 36 Ca 0.13 -0.08 0.02 0.00 -2.18 0.00 0.00 60.65 58.54 1xoa h LYS 36 Cb 0.12 -0.20 -0.03 0.00 -1.58 0.00 0.00 32.23 30.54 1xoa h LYS 36 CO -0.02 0.66 0.27 0.52 -1.08 0.00 0.00 179.45 179.81 1xoa h MET 37 N 0.95 0.53 0.00 3.15 2.86 -0.51 -2.76 114.93 119.14 1xoa h MET 37 Ca 0.25 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.75 1xoa h MET 37 Cb -0.04 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.49 1xoa h MET 37 CO -0.05 0.35 -0.52 -0.84 1.06 0.00 0.00 176.91 176.91 1xoa h ILE 38 N 0.54 1.00 -0.78 -1.22 3.07 -0.72 -3.38 117.51 116.02 1xoa h ILE 38 Ca 0.18 -2.09 0.09 0.00 1.55 0.00 0.00 64.86 64.59 1xoa h ILE 38 Cb 0.00 2.27 -0.11 0.00 -0.27 0.00 0.00 36.82 38.72 1xoa h ILE 38 CO -0.08 0.51 -0.40 0.00 -1.05 0.00 0.00 178.15 177.13 1xoa n ALA 39 N -2.27 -0.34 -0.36 0.16 0.00 0.40 0.14 120.51 118.24 1xoa n ALA 39 Ca 0.01 0.71 0.06 0.00 0.00 0.00 0.00 53.44 54.21 1xoa n ALA 39 Cb 0.67 -0.20 0.22 0.00 0.00 0.00 0.00 19.45 20.13 1xoa n ALA 39 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1xoa h PRO 40 N 0.00 1.01 -0.09 0.00 0.13 -1.74 0.11 132.00 131.42 1xoa h PRO 40 Ca 0.18 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1xoa h PRO 40 Cb 0.38 -0.23 -0.00 0.00 0.13 0.00 0.00 31.00 31.27 1xoa h PRO 40 CO -0.75 0.67 0.06 0.82 -0.23 0.00 0.00 178.00 178.57 1xoa h ILE 41 N 1.04 1.03 -0.77 -3.56 2.04 -0.54 0.87 117.51 117.62 1xoa h ILE 41 Ca 0.48 -0.06 0.07 0.00 1.00 0.00 0.00 64.86 66.35 1xoa h ILE 41 Cb 0.40 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 37.33 1xoa h ILE 41 CO -0.24 0.03 0.45 -0.07 0.00 0.00 0.00 178.15 178.32 1xoa h LEU 42 N 0.11 0.67 -0.24 1.44 3.38 0.19 0.11 115.31 120.97 1xoa h LEU 42 Ca 0.03 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xoa h LEU 42 Cb -0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1xoa h LEU 42 CO -0.01 0.41 0.14 0.44 0.09 0.00 0.00 178.44 179.52 1xoa h ASP 43 N 0.80 0.29 -0.23 -0.43 3.32 -0.18 0.17 116.42 120.15 1xoa h ASP 43 Ca 0.35 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.38 1xoa h ASP 43 Cb 0.25 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1xoa h ASP 43 CO -0.20 0.25 0.08 -0.33 -1.72 0.00 0.00 179.24 177.32 1xoa h GLU 44 N 0.30 0.18 -0.47 3.56 3.07 -0.10 -1.99 114.58 119.13 1xoa h GLU 44 Ca 0.09 -0.01 0.06 0.00 -0.50 0.00 0.00 59.36 59.00 1xoa h GLU 44 Cb 0.02 -0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 27.83 1xoa h GLU 44 CO -0.02 0.12 0.17 0.82 -1.40 0.00 0.00 179.01 178.71 1xoa h ILE 45 N 0.19 0.85 -0.84 3.13 1.08 -0.46 0.91 117.51 122.36 1xoa h ILE 45 Ca 0.10 -0.12 0.15 0.00 -0.39 0.00 0.00 64.86 64.60 1xoa h ILE 45 Cb 0.07 0.47 -0.06 0.00 -3.07 0.00 0.00 36.82 34.23 1xoa h ILE 45 CO -0.10 0.06 0.55 0.00 -0.69 0.00 0.00 178.15 177.97 1xoa h ALA 46 N 1.31 1.96 0.21 1.87 0.00 -0.11 0.13 119.26 124.63 1xoa h ALA 46 Ca 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1xoa h ALA 46 Cb 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1xoa h ALA 46 CO -0.23 -0.18 -0.10 0.22 0.00 0.00 0.00 179.25 178.96 1xoa h ASP 47 N 0.58 -0.24 -0.80 0.00 3.58 -0.51 -2.52 116.42 116.50 1xoa h ASP 47 Ca 0.42 -0.06 0.17 0.00 0.42 0.00 0.00 57.03 57.99 1xoa h ASP 47 Cb 0.79 0.06 -0.11 0.00 1.72 0.00 0.00 39.33 41.79 1xoa h ASP 47 CO -0.17 0.24 0.30 -0.33 -2.88 0.00 0.00 179.24 176.40 1xoa h GLU 48 N -1.06 0.37 -0.54 0.28 5.08 -0.48 -0.68 114.58 117.55 1xoa h GLU 48 Ca -0.03 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1xoa h GLU 48 Cb 0.29 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1xoa h GLU 48 CO 0.05 0.25 0.04 0.66 -1.00 0.00 0.00 179.01 179.00 1xoa n TYR 49 N -5.06 1.94 -1.68 4.33 4.02 0.43 -4.99 117.16 116.15 1xoa n TYR 49 Ca 0.17 -0.84 -0.46 0.00 -0.01 0.00 0.00 57.90 56.76 1xoa n TYR 49 Cb 0.51 -0.51 -0.04 0.00 -0.02 0.00 0.00 39.34 39.28 1xoa n TYR 49 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1xoa n GLN 50 N 0.29 2.33 0.00 -0.72 -0.06 -0.27 -0.44 117.38 118.51 1xoa n GLN 50 Ca 0.29 0.85 0.00 0.00 -2.00 0.00 0.00 57.00 56.13 1xoa n GLN 50 Cb 1.18 -2.67 0.00 0.00 -4.06 0.00 0.00 30.24 24.69 1xoa n GLN 50 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1xoa n GLY 51 N 3.94 3.26 0.14 1.69 0.00 -1.26 -4.78 105.19 108.16 1xoa n GLY 51 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.98 0.61 -4.27 1.61 5.02 0.41 -4.94 118.16 114.62 1xoa n LYS 52 Ca 0.00 0.24 -0.27 0.00 -2.02 0.00 0.00 58.31 56.26 1xoa n LYS 52 Cb 0.00 -1.52 -0.17 0.00 -0.02 0.00 0.00 35.03 33.32 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 -7.22 1.55 -0.60 -0.35 2.96 0.18 -4.39 118.68 110.82 1xoa s LEU 53 Ca -0.37 -0.37 -0.20 0.00 -0.22 0.00 0.00 54.13 52.97 1xoa s LEU 53 Cb 0.12 -0.97 0.09 0.00 0.50 0.00 0.00 46.19 45.93 1xoa s LEU 53 CO 0.54 -0.03 0.78 -0.89 -1.32 0.00 0.00 176.35 175.42 1xoa s THR 54 N 1.19 4.67 0.25 3.68 2.01 0.33 -4.49 115.64 123.27 1xoa s THR 54 Ca -0.04 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 60.97 1xoa s THR 54 Cb -0.14 -4.52 -0.09 0.00 0.01 0.00 0.00 72.50 67.76 1xoa s THR 54 CO -0.04 -1.18 0.97 -0.69 -0.69 0.00 0.00 174.62 173.00 1xoa s VAL 55 N 3.12 3.95 0.06 3.82 1.01 -1.26 -0.89 120.40 130.21 1xoa s VAL 55 Ca 0.16 1.97 0.01 0.00 0.00 0.00 0.00 61.98 64.12 1xoa s VAL 55 Cb -0.21 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 1xoa s VAL 55 CO 0.09 0.47 -0.06 0.00 0.00 0.00 0.00 175.10 175.59 1xoa s ALA 56 N -1.17 0.67 0.04 5.51 0.00 0.71 -1.10 121.76 126.42 1xoa s ALA 56 Ca 0.42 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 51.41 1xoa s ALA 56 Cb -0.27 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 1xoa s ALA 56 CO 0.34 -0.15 -0.14 0.15 0.00 0.00 0.00 175.76 175.96 1xoa s LYS 57 N -2.65 0.91 -0.08 0.00 1.02 0.53 -0.53 119.74 118.95 1xoa s LYS 57 Ca -0.01 -0.76 -0.03 0.00 0.02 0.00 0.00 55.97 55.19 1xoa s LYS 57 Cb -0.02 -0.92 0.04 0.00 -0.52 0.00 0.00 37.83 36.41 1xoa s LYS 57 CO -0.03 0.22 0.17 -1.17 -0.92 0.00 0.00 175.35 173.62 1xoa s LEU 58 N -1.17 0.42 -0.53 3.17 0.20 -0.94 -0.75 118.68 119.08 1xoa s LEU 58 Ca 0.01 0.35 -0.24 0.00 0.69 0.00 0.00 54.13 54.94 1xoa s LEU 58 Cb -0.08 0.39 0.04 0.00 -0.43 0.00 0.00 46.19 46.11 1xoa s LEU 58 CO 0.01 -0.18 0.91 0.21 -0.29 0.00 0.00 176.35 177.01 1xoa s ASN 59 N 1.55 6.36 0.53 3.68 3.84 -1.26 -0.87 114.94 128.77 1xoa s ASN 59 Ca -0.05 -0.29 0.28 0.00 0.21 0.00 0.00 52.86 53.01 1xoa s ASN 59 Cb -0.12 -2.43 1.46 0.00 -0.55 0.00 0.00 41.25 39.62 1xoa s ASN 59 CO -0.06 -1.16 2.07 0.16 -2.79 0.00 0.00 177.10 175.32 1xoa h ILE 60 N 6.02 0.52 -0.49 -5.21 -0.00 -0.99 0.11 117.51 117.48 1xoa h ILE 60 Ca -0.26 -0.53 -0.02 0.00 -0.00 0.00 0.00 64.86 64.06 1xoa h ILE 60 Cb 1.08 1.35 -0.02 0.00 -0.00 0.00 0.00 36.82 39.23 1xoa h ILE 60 CO 1.06 0.11 0.24 0.44 -0.00 0.00 0.00 178.15 180.00 1xoa h ASP 61 N 0.00 0.63 0.60 2.16 3.32 -1.92 -0.82 116.42 120.39 1xoa h ASP 61 Ca -0.00 -0.12 -0.25 0.00 0.02 0.00 0.00 57.03 56.68 1xoa h ASP 61 Cb 0.34 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 1xoa h ASP 61 CO 0.01 0.57 -1.12 1.56 -1.72 0.00 0.00 179.24 178.55 1xoa h GLN 62 N 0.64 0.27 -2.19 3.56 4.20 -1.84 -3.39 115.11 116.36 1xoa h GLN 62 Ca 0.17 -0.39 -0.59 0.00 0.06 0.00 0.00 58.65 57.90 1xoa h GLN 62 Cb 0.11 0.14 -0.42 0.00 0.30 0.00 0.00 27.48 27.61 1xoa h GLN 62 CO -0.02 1.15 -0.70 0.09 -0.67 0.00 0.00 178.83 178.68 1xoa n ASN 63 N -3.58 3.42 0.13 1.46 3.02 0.36 -4.96 115.26 115.11 1xoa n ASN 63 Ca -0.07 -3.41 -0.14 0.00 -0.03 0.00 0.00 54.58 50.93 1xoa n ASN 63 Cb 0.95 -0.63 -0.08 0.00 -0.61 0.00 0.00 39.78 39.41 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 3.72 -0.26 -0.95 3.52 0.13 -1.37 -3.22 132.00 133.57 1xoa h PRO 64 Ca 0.16 0.02 0.36 0.00 -0.87 0.00 0.00 66.00 65.67 1xoa h PRO 64 Cb 0.65 0.06 -0.17 0.00 0.13 0.00 0.00 31.00 31.67 1xoa h PRO 64 CO 0.77 -0.12 0.38 0.41 -0.23 0.00 0.00 178.00 179.21 1xoa n GLY 65 N -1.05 -0.87 0.38 1.56 0.00 -1.26 -0.65 105.19 103.30 1xoa n GLY 65 Ca -0.09 0.82 0.15 0.00 0.00 0.00 0.00 46.02 46.90 1xoa n GLY 65 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xoa h THR 66 N 0.00 0.73 0.30 2.61 2.02 -1.95 -0.88 112.91 115.74 1xoa h THR 66 Ca 0.75 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.71 1xoa h THR 66 Cb 1.89 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1xoa h THR 66 CO -0.78 0.11 -0.15 0.00 0.37 0.00 0.00 175.52 175.08 1xoa h ALA 67 N 1.61 -1.04 -0.80 6.16 0.00 -1.09 -2.57 119.26 121.53 1xoa h ALA 67 Ca 0.50 -0.09 0.18 0.00 0.00 0.00 0.00 54.91 55.51 1xoa h ALA 67 Cb 0.97 0.16 -0.14 0.00 0.00 0.00 0.00 17.79 18.77 1xoa h ALA 67 CO -0.25 -1.01 -0.04 -1.35 0.00 0.00 0.00 179.25 176.60 1xoa h PRO 68 N -0.43 0.06 -0.85 0.00 0.11 -1.67 0.04 132.00 129.26 1xoa h PRO 68 Ca -0.04 -0.00 0.20 0.00 0.11 0.00 0.00 66.00 66.27 1xoa h PRO 68 Cb 0.31 -0.01 -0.12 0.00 0.11 0.00 0.00 31.00 31.29 1xoa h PRO 68 CO 0.07 0.04 0.32 0.87 -0.21 0.00 0.00 178.00 179.08 1xoa h LYS 69 N 0.06 0.34 -0.49 1.05 1.57 -1.06 0.33 116.57 118.37 1xoa h LYS 69 Ca 0.43 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 59.01 1xoa h LYS 69 Cb 0.76 -0.08 -0.11 0.00 0.08 0.00 0.00 32.23 32.89 1xoa h LYS 69 CO -0.74 0.22 0.11 0.66 -0.57 0.00 0.00 179.45 179.13 1xoa n TYR 70 N -5.09 1.60 -4.29 -1.35 4.01 -0.64 -4.97 117.16 106.43 1xoa n TYR 70 Ca 0.20 -1.35 -0.32 0.00 -0.16 0.00 0.00 57.90 56.27 1xoa n TYR 70 Cb 0.60 -0.55 -0.08 0.00 -0.31 0.00 0.00 39.34 39.00 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 -0.75 -0.20 3.71 2.72 0.00 0.10 -4.88 105.19 105.90 1xoa n GLY 71 Ca 0.35 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 46.10 1xoa n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xoa s ILE 72 N -4.06 4.12 0.07 -0.61 1.01 -0.16 -4.95 121.20 116.62 1xoa s ILE 72 Ca 0.19 1.53 -0.08 0.00 0.00 0.00 0.00 60.65 62.29 1xoa s ILE 72 Cb -0.11 -3.98 -0.28 0.00 0.01 0.00 0.00 42.46 38.10 1xoa s ILE 72 CO 0.98 0.12 1.14 0.03 0.00 0.00 0.00 174.94 177.22 1xoa h ARG 73 N 6.76 0.38 0.00 2.79 -0.00 -1.90 -3.43 114.38 118.97 1xoa h ARG 73 Ca -0.42 -0.59 0.00 0.00 -0.50 0.00 0.00 59.98 58.48 1xoa h ARG 73 Cb 1.21 0.21 0.00 0.00 0.00 0.00 0.00 29.97 31.39 1xoa h ARG 73 CO 0.80 1.26 0.00 0.41 0.00 0.00 0.00 179.97 182.44 1xoa n GLY 74 N 1.45 1.78 3.12 0.04 0.00 -1.26 -5.19 105.19 105.14 1xoa n GLY 74 Ca -0.10 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.25 1xoa n GLY 74 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xoa s ILE 75 N -1.96 0.09 0.34 -0.61 -4.36 -1.26 -4.27 121.20 109.17 1xoa s ILE 75 Ca 0.00 -0.77 -0.27 0.00 -0.26 0.00 0.00 60.65 59.34 1xoa s ILE 75 Cb 0.00 -0.57 -0.09 0.00 1.25 0.00 0.00 42.46 43.05 1xoa s ILE 75 CO 0.00 -0.43 1.17 -2.16 0.24 0.00 0.00 174.94 173.76 1xoa s PRO 76 N -1.73 4.33 -0.02 0.37 0.04 -1.26 -4.85 135.00 131.87 1xoa s PRO 76 Ca -0.12 1.88 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1xoa s PRO 76 Cb -0.06 -2.93 0.03 0.00 0.04 0.00 0.00 34.50 31.58 1xoa s PRO 76 CO 0.00 -0.09 0.02 0.99 0.04 0.00 0.00 177.00 177.96 1xoa s THR 77 N -1.29 0.01 -0.42 1.26 2.01 -1.21 -0.26 115.64 115.75 1xoa s THR 77 Ca 0.51 0.17 -0.07 0.00 0.31 0.00 0.00 61.69 62.60 1xoa s THR 77 Cb -0.32 -0.14 0.09 0.00 0.01 0.00 0.00 72.50 72.14 1xoa s THR 77 CO 0.42 0.10 0.24 -0.76 -0.69 0.00 0.00 174.62 173.93 1xoa s LEU 78 N 1.01 5.16 -0.34 4.42 1.43 0.30 -0.94 118.68 129.73 1xoa s LEU 78 Ca -0.09 -1.64 -0.19 0.00 -1.03 0.00 0.00 54.13 51.17 1xoa s LEU 78 Cb -0.13 -1.94 -0.00 0.00 0.03 0.00 0.00 46.19 44.15 1xoa s LEU 78 CO -0.02 -0.54 0.58 -0.76 0.23 0.00 0.00 176.35 175.84 1xoa s LEU 79 N 1.35 4.26 -0.59 1.79 1.02 0.12 -0.73 118.68 125.90 1xoa s LEU 79 Ca 0.04 0.15 -0.19 0.00 0.02 0.00 0.00 54.13 54.15 1xoa s LEU 79 Cb -0.23 -2.71 0.10 0.00 0.02 0.00 0.00 46.19 43.36 1xoa s LEU 79 CO 0.00 -0.52 0.72 -0.22 0.02 0.00 0.00 176.35 176.35 1xoa s LEU 80 N 2.56 5.27 -0.58 1.79 2.96 0.05 -0.67 118.68 130.07 1xoa s LEU 80 Ca 0.22 -1.35 -0.23 0.00 -0.22 0.00 0.00 54.13 52.55 1xoa s LEU 80 Cb -0.15 -2.33 0.05 0.00 0.50 0.00 0.00 46.19 44.26 1xoa s LEU 80 CO 0.13 -1.12 0.93 -0.36 -1.32 0.00 0.00 176.35 174.62 1xoa s PHE 81 N 2.79 2.77 -0.37 5.38 0.40 0.11 -0.35 117.98 128.71 1xoa s PHE 81 Ca 0.13 -0.17 -0.18 0.00 -0.60 0.00 0.00 56.93 56.11 1xoa s PHE 81 Cb -0.23 -4.10 0.00 0.00 0.51 0.00 0.00 43.02 39.20 1xoa s PHE 81 CO 0.07 -1.42 0.48 0.15 0.70 0.00 0.00 175.22 175.20 1xoa s LYS 82 N 3.93 3.47 -1.51 0.44 -0.14 0.92 -0.81 119.74 126.04 1xoa s LYS 82 Ca 0.28 -0.36 -0.10 0.00 -1.36 0.00 0.00 55.97 54.43 1xoa s LYS 82 Cb -0.14 -3.85 0.07 0.00 -1.68 0.00 0.00 37.83 32.23 1xoa s LYS 82 CO 0.17 -0.70 0.82 -1.71 -0.76 0.00 0.00 175.35 173.16 1xoa n ASN 83 N 5.69 -3.22 0.00 2.83 5.15 0.94 -0.68 115.26 125.97 1xoa n ASN 83 Ca -0.06 -0.86 0.00 0.00 -0.60 0.00 0.00 54.58 53.06 1xoa n ASN 83 Cb 0.49 -3.58 0.00 0.00 -0.53 0.00 0.00 39.78 36.16 1xoa n ASN 83 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xoa n GLY 84 N -1.66 2.58 3.71 8.20 0.00 -1.15 -4.82 105.19 112.06 1xoa n GLY 84 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.20 4.17 -0.39 1.61 2.02 0.14 -4.73 118.70 121.32 1xoa s GLU 85 Ca 0.00 -0.19 -0.27 0.00 0.02 0.00 0.00 54.97 54.53 1xoa s GLU 85 Cb 0.00 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.74 1xoa s GLU 85 CO 0.00 0.23 2.04 0.08 0.02 0.00 0.00 175.26 177.63 1xoa s VAL 86 N 0.56 3.24 -0.03 2.63 1.01 -1.26 -0.05 120.40 126.49 1xoa s VAL 86 Ca 0.09 0.21 -0.21 0.00 0.00 0.00 0.00 61.98 62.07 1xoa s VAL 86 Cb -0.12 -3.42 -0.32 0.00 0.00 0.00 0.00 36.38 32.52 1xoa s VAL 86 CO 0.00 -0.33 0.92 0.00 0.00 0.00 0.00 175.10 175.70 1xoa h ALA 87 N 15.28 -0.10 -2.49 5.51 0.00 -1.02 -3.48 119.26 132.97 1xoa h ALA 87 Ca -0.32 -0.73 -0.07 0.00 0.00 0.00 0.00 54.91 53.80 1xoa h ALA 87 Cb 1.21 0.11 -0.17 0.00 0.00 0.00 0.00 17.79 18.94 1xoa h ALA 87 CO 1.08 0.44 -0.02 0.00 0.00 0.00 0.00 179.25 180.75 1xoa s ALA 88 N -2.48 -1.21 -0.33 0.00 0.00 -1.22 -5.03 121.76 111.49 1xoa s ALA 88 Ca -0.13 0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.36 1xoa s ALA 88 Cb 0.02 0.34 0.10 0.00 0.00 0.00 0.00 23.12 23.58 1xoa s ALA 88 CO 0.86 -0.47 0.10 0.95 0.00 0.00 0.00 175.76 177.19 1xoa s THR 89 N -2.36 1.34 -0.46 0.00 -4.23 -1.26 -0.77 115.64 107.91 1xoa s THR 89 Ca -0.06 -1.78 -0.25 0.00 -1.18 0.00 0.00 61.69 58.42 1xoa s THR 89 Cb -0.01 -2.00 0.03 0.00 1.34 0.00 0.00 72.50 71.86 1xoa s THR 89 CO -0.01 -0.67 0.89 -0.75 -0.54 0.00 0.00 174.62 173.53 1xoa s LYS 90 N 1.29 3.50 -0.09 3.99 2.36 0.10 -4.86 119.74 126.03 1xoa s LYS 90 Ca 0.11 0.10 -0.21 0.00 -2.55 0.00 0.00 55.97 53.42 1xoa s LYS 90 Cb -0.18 -3.93 -0.04 0.00 -1.05 0.00 0.00 37.83 32.63 1xoa s LYS 90 CO -0.18 -1.19 0.59 0.08 1.55 0.00 0.00 175.35 176.20 1xoa s VAL 91 N 3.62 5.11 0.00 4.02 1.01 -1.26 -0.54 120.40 132.36 1xoa s VAL 91 Ca 0.35 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.53 1xoa s VAL 91 Cb -0.11 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1xoa s VAL 91 CO 0.25 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1xoa n GLY 92 N 3.16 0.10 3.75 4.51 0.00 0.64 -5.00 105.19 112.35 1xoa n GLY 92 Ca -0.04 -1.74 -0.29 0.00 0.00 0.00 0.00 46.02 43.95 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 -2.66 1.53 0.13 4.61 0.00 -1.26 -4.81 121.76 119.30 1xoa s ALA 93 Ca 0.00 -0.41 -0.25 0.00 0.00 0.00 0.00 51.96 51.31 1xoa s ALA 93 Cb 0.00 -3.08 0.07 0.00 0.00 0.00 0.00 23.12 20.11 1xoa s ALA 93 CO 0.00 -2.42 0.79 -0.48 0.00 0.00 0.00 175.76 173.65 1xoa s LEU 94 N -6.16 -0.36 0.78 0.00 2.34 -1.26 -5.14 118.68 108.88 1xoa s LEU 94 Ca 0.64 -0.21 -0.11 0.00 0.06 0.00 0.00 54.13 54.51 1xoa s LEU 94 Cb -0.16 2.35 0.06 0.00 -0.56 0.00 0.00 46.19 47.88 1xoa s LEU 94 CO 0.55 -0.92 1.08 -0.94 -1.06 0.00 0.00 176.35 175.06 1xoa s SER 95 N -2.75 4.55 0.22 1.48 1.04 -1.26 -4.82 113.70 112.16 1xoa s SER 95 Ca 0.07 1.59 -0.07 0.00 0.48 0.00 0.00 55.95 58.02 1xoa s SER 95 Cb -0.02 -2.35 0.30 0.00 0.10 0.00 0.00 66.02 64.05 1xoa s SER 95 CO -0.04 -1.97 1.81 0.50 0.98 0.00 0.00 173.24 174.52 1xoa h LYS 96 N -1.09 0.73 0.46 4.02 3.64 -1.99 0.54 116.57 122.88 1xoa h LYS 96 Ca -0.45 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 1xoa h LYS 96 Cb 1.24 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 1xoa h LYS 96 CO 0.55 0.48 -0.36 0.78 -2.27 0.00 0.00 179.45 178.64 1xoa h GLY 97 N 0.75 -0.89 0.36 5.01 0.00 -1.99 0.96 103.07 107.28 1xoa h GLY 97 Ca 0.34 0.40 0.10 0.00 0.00 0.00 0.00 47.33 48.18 1xoa h GLY 97 CO -0.20 -0.32 0.28 1.46 0.00 0.00 0.00 176.54 177.77 1xoa h GLN 98 N -0.81 0.46 0.18 4.80 4.20 -1.83 0.29 115.11 122.40 1xoa h GLN 98 Ca -0.05 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1xoa h GLN 98 Cb 0.69 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1xoa h GLN 98 CO -0.00 0.31 -0.14 1.25 -0.67 0.00 0.00 178.83 179.58 1xoa h LEU 99 N 0.48 -0.35 -0.46 1.46 5.85 -0.53 0.65 115.31 122.41 1xoa h LEU 99 Ca 0.35 0.03 0.06 0.00 0.84 0.00 0.00 57.88 59.15 1xoa h LEU 99 Cb 0.43 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 1xoa h LEU 99 CO -0.32 -0.21 0.18 0.11 -0.34 0.00 0.00 178.44 177.85 1xoa h LYS 100 N -0.32 0.35 0.05 1.25 1.57 -0.10 0.99 116.57 120.36 1xoa h LYS 100 Ca -0.01 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1xoa h LYS 100 Cb 0.29 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1xoa h LYS 100 CO -0.01 0.23 -0.18 0.93 -0.57 0.00 0.00 179.45 179.85 1xoa h GLU 101 N 0.36 -0.31 -0.05 3.15 5.08 -0.68 0.95 114.58 123.08 1xoa h GLU 101 Ca 0.21 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.63 1xoa h GLU 101 Cb 0.20 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1xoa h GLU 101 CO -0.21 -0.21 -0.21 0.35 -1.00 0.00 0.00 179.01 177.73 1xoa h PHE 102 N -0.32 -0.56 0.09 4.33 3.57 -0.39 0.45 116.94 124.10 1xoa h PHE 102 Ca 0.04 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.58 1xoa h PHE 102 Cb 0.37 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 1xoa h PHE 102 CO -0.20 -0.30 -0.18 -0.07 -2.23 0.00 0.00 178.31 175.33 1xoa h LEU 103 N -0.31 -0.50 -0.21 0.59 3.38 -0.58 -0.02 115.31 117.66 1xoa h LEU 103 Ca 0.07 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.16 1xoa h LEU 103 Cb 0.42 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 1xoa h LEU 103 CO -0.23 -0.25 -0.16 -0.78 0.09 0.00 0.00 178.44 177.10 1xoa h ASP 104 N -0.34 -0.53 -0.98 -0.43 3.58 -0.57 0.21 116.42 117.38 1xoa h ASP 104 Ca 0.03 0.11 0.08 0.00 0.42 0.00 0.00 57.03 57.67 1xoa h ASP 104 Cb 0.36 0.26 -0.07 0.00 1.72 0.00 0.00 39.33 41.61 1xoa h ASP 104 CO -0.11 -0.21 0.62 0.00 -2.88 0.00 0.00 179.24 176.67 1xoa h ALA 105 N 0.95 1.39 0.11 -0.78 0.00 -0.56 0.85 119.26 121.21 1xoa h ALA 105 Ca 0.12 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.74 1xoa h ALA 105 Cb 0.35 -0.26 0.02 0.00 0.00 0.00 0.00 17.79 17.90 1xoa h ALA 105 CO -0.31 0.35 -1.21 -0.91 0.00 0.00 0.00 179.25 177.17 1xoa h ASN 106 N 1.08 0.73 -0.12 0.00 2.35 -0.27 -3.25 115.58 116.11 1xoa h ASN 106 Ca 0.44 -0.69 -0.01 0.00 -0.55 0.00 0.00 56.30 55.50 1xoa h ASN 106 Cb 0.26 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1xoa h ASN 106 CO -0.20 1.50 0.06 -0.07 -1.65 0.00 0.00 177.43 177.07 1xoa h LEU 107 N 0.22 0.16 0.00 1.61 3.38 -0.29 -3.51 115.31 116.89 1xoa h LEU 107 Ca -0.16 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1xoa h LEU 107 Cb 1.89 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.59 1xoa h LEU 107 CO 0.22 0.25 0.00 0.00 0.09 0.00 0.00 178.44 179.00