#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 0.00 -2.59 4.04 2.03 -1.26 -0.67 116.55 118.10 1xoa n ASP 2 Ca 0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.20 1xoa n ASP 2 Cb 0.00 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.43 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 2.13 -4.06 -0.67 5.02 -1.26 -5.08 118.16 114.24 1xoa n LYS 3 Ca 0.00 -3.69 -0.35 0.00 -2.02 0.00 0.00 58.31 52.24 1xoa n LYS 3 Cb 0.00 -1.71 -0.09 0.00 -0.02 0.00 0.00 35.03 33.22 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 -3.99 4.87 -0.30 -0.18 1.01 0.15 -4.29 121.20 118.47 1xoa s ILE 4 Ca 0.34 -0.02 -0.21 0.00 0.00 0.00 0.00 60.65 60.76 1xoa s ILE 4 Cb 0.39 -3.14 -0.01 0.00 0.01 0.00 0.00 42.46 39.71 1xoa s ILE 4 CO -0.02 0.53 0.68 -0.63 0.00 0.00 0.00 174.94 175.50 1xoa s ILE 5 N -0.28 4.89 -1.23 2.92 -1.09 -0.01 -4.77 121.20 121.63 1xoa s ILE 5 Ca 0.09 0.97 -0.13 0.00 -2.23 0.00 0.00 60.65 59.34 1xoa s ILE 5 Cb -0.12 -4.05 0.16 0.00 -1.58 0.00 0.00 42.46 36.88 1xoa s ILE 5 CO 0.01 -0.17 1.53 1.41 -1.23 0.00 0.00 174.94 176.50 1xoa n HIS 6 N 5.98 4.60 -1.03 3.97 8.25 -1.26 -0.74 115.22 135.00 1xoa n HIS 6 Ca 0.01 -3.24 -0.30 0.00 -0.26 0.00 0.00 57.72 53.93 1xoa n HIS 6 Cb 0.49 -2.17 0.15 0.00 1.12 0.00 0.00 29.99 29.57 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 1.41 2.30 0.19 2.41 1.43 -1.25 -5.00 118.68 120.16 1xoa s LEU 7 Ca 0.43 1.68 0.03 0.00 -1.03 0.00 0.00 54.13 55.24 1xoa s LEU 7 Cb -0.00 -4.06 -0.05 0.00 0.03 0.00 0.00 46.19 42.11 1xoa s LEU 7 CO 0.01 -2.85 -0.03 0.42 0.23 0.00 0.00 176.35 174.13 1xoa s THR 8 N -2.81 0.94 0.24 5.49 -4.23 -1.26 -4.35 115.64 109.65 1xoa s THR 8 Ca 0.64 -2.02 -0.04 0.00 -1.18 0.00 0.00 61.69 59.09 1xoa s THR 8 Cb -0.20 -2.12 0.21 0.00 1.34 0.00 0.00 72.50 71.73 1xoa s THR 8 CO 0.58 -0.50 1.80 -0.78 -0.54 0.00 0.00 174.62 175.18 1xoa h ASP 9 N 2.64 0.62 -0.42 3.99 3.58 -1.93 0.15 116.42 125.05 1xoa h ASP 9 Ca -0.37 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.13 1xoa h ASP 9 Cb 1.21 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 42.18 1xoa h ASP 9 CO 0.64 0.34 0.26 0.44 -2.88 0.00 0.00 179.24 178.04 1xoa h ASP 10 N 0.74 0.50 1.29 2.28 5.19 -2.01 -2.92 116.42 121.48 1xoa h ASP 10 Ca 0.40 -0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.64 1xoa h ASP 10 Cb 0.40 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.77 1xoa h ASP 10 CO -0.26 0.39 -0.58 0.77 -3.12 0.00 0.00 179.24 176.43 1xoa h SER 11 N 0.56 0.00 -0.89 6.45 4.64 -1.79 -3.37 113.55 119.14 1xoa h SER 11 Ca 0.15 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.58 1xoa h SER 11 Cb -0.02 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.94 1xoa h SER 11 CO -0.03 0.58 -0.44 0.33 -0.87 0.00 0.00 176.83 176.41 1xoa n PHE 12 N -3.30 -0.18 0.24 4.77 -0.00 0.45 -0.59 117.46 118.84 1xoa n PHE 12 Ca 0.01 1.10 -0.15 0.00 -0.00 0.00 0.00 57.45 58.41 1xoa n PHE 12 Cb 0.74 -0.70 -0.08 0.00 -0.00 0.00 0.00 39.48 39.44 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 -1.18 -0.85 -2.13 3.58 -1.73 0.38 116.42 114.49 1xoa h ASP 13 Ca 0.23 0.10 0.15 0.00 0.42 0.00 0.00 57.03 57.92 1xoa h ASP 13 Cb 0.45 0.39 -0.09 0.00 1.72 0.00 0.00 39.33 41.80 1xoa h ASP 13 CO -0.86 -0.56 0.43 0.74 -2.88 0.00 0.00 179.24 176.11 1xoa h THR 14 N -0.84 0.73 0.00 2.25 2.02 -1.56 -0.64 112.91 114.87 1xoa h THR 14 Ca -0.05 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 66.87 1xoa h THR 14 Cb 0.73 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1xoa h THR 14 CO -0.06 0.11 -0.51 0.44 0.37 0.00 0.00 175.52 175.87 1xoa h ASP 15 N 0.62 0.00 0.00 4.18 5.19 -0.74 -3.36 116.42 122.31 1xoa h ASP 15 Ca 0.46 -0.16 -0.00 0.00 -0.62 0.00 0.00 57.03 56.71 1xoa h ASP 15 Cb 0.65 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.16 1xoa h ASP 15 CO -0.36 0.86 -0.00 0.58 -3.12 0.00 0.00 179.24 177.19 1xoa h VAL 16 N -1.00 1.61 -0.40 -1.35 2.07 -0.30 -2.44 116.25 114.45 1xoa h VAL 16 Ca -0.07 -2.20 -0.08 0.00 0.82 0.00 0.00 66.70 65.17 1xoa h VAL 16 Cb 0.58 3.05 -0.02 0.00 -1.52 0.00 0.00 31.29 33.38 1xoa h VAL 16 CO -0.04 0.55 -0.08 -0.07 0.02 0.00 0.00 177.57 177.95 1xoa h LEU 17 N -1.00 0.66 -3.72 2.57 3.38 -0.89 -1.12 115.31 115.19 1xoa h LEU 17 Ca -0.00 -0.17 -0.47 0.00 0.09 0.00 0.00 57.88 57.32 1xoa h LEU 17 Cb 0.90 -0.18 -0.26 0.00 0.09 0.00 0.00 40.66 41.21 1xoa h LEU 17 CO 0.00 0.78 0.60 0.29 0.09 0.00 0.00 178.44 180.20 1xoa n LYS 18 N -4.20 2.15 -1.58 1.13 5.02 -0.91 -3.12 118.16 116.64 1xoa n LYS 18 Ca 0.01 -2.59 -0.49 0.00 -2.02 0.00 0.00 58.31 53.22 1xoa n LYS 18 Cb 0.33 -2.02 -0.06 0.00 -0.02 0.00 0.00 35.03 33.27 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 -0.79 1.00 -1.36 7.82 0.00 -0.44 -4.83 120.51 121.91 1xoa n ALA 19 Ca 0.51 0.08 -0.38 0.00 0.00 0.00 0.00 53.44 53.65 1xoa n ALA 19 Cb 1.26 -2.56 -0.02 0.00 0.00 0.00 0.00 19.45 18.13 1xoa n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1xoa n ASP 20 N 8.53 7.19 0.00 0.00 2.03 -1.26 -3.74 116.55 129.29 1xoa n ASP 20 Ca 0.31 -2.62 0.00 0.00 0.52 0.00 0.00 54.79 53.00 1xoa n ASP 20 Cb 0.28 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.14 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 3.74 0.45 3.27 0.27 0.00 -1.26 -5.05 105.19 106.61 1xoa n GLY 21 Ca 0.69 -1.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.15 2.71 -0.17 4.61 0.00 -1.26 -1.06 121.76 125.44 1xoa s ALA 22 Ca 0.00 -1.17 -0.03 0.00 0.00 0.00 0.00 51.96 50.76 1xoa s ALA 22 Cb 0.00 -1.58 -0.02 0.00 0.00 0.00 0.00 23.12 21.52 1xoa s ALA 22 CO 0.00 -0.40 -0.07 0.42 0.00 0.00 0.00 175.76 175.71 1xoa s ILE 23 N 1.41 3.39 -0.49 0.00 1.01 0.21 -0.66 121.20 126.07 1xoa s ILE 23 Ca 0.05 -0.52 -0.12 0.00 0.00 0.00 0.00 60.65 60.07 1xoa s ILE 23 Cb -0.14 -2.49 0.12 0.00 0.01 0.00 0.00 42.46 39.96 1xoa s ILE 23 CO -0.05 0.48 0.40 -0.22 0.00 0.00 0.00 174.94 175.54 1xoa s LEU 24 N 0.81 5.84 -0.39 2.97 1.98 0.05 -0.16 118.68 129.79 1xoa s LEU 24 Ca -0.03 -1.83 -0.20 0.00 -2.89 0.00 0.00 54.13 49.19 1xoa s LEU 24 Cb -0.15 -2.09 0.01 0.00 0.66 0.00 0.00 46.19 44.63 1xoa s LEU 24 CO 0.01 -0.74 0.61 -0.69 -1.89 0.00 0.00 176.35 173.65 1xoa s VAL 25 N 1.46 4.89 -0.49 1.68 1.01 0.45 -0.15 120.40 129.25 1xoa s VAL 25 Ca 0.05 0.32 -0.22 0.00 0.00 0.00 0.00 61.98 62.12 1xoa s VAL 25 Cb -0.27 -4.11 0.04 0.00 0.00 0.00 0.00 36.38 32.04 1xoa s VAL 25 CO 0.01 -0.41 0.78 -0.62 0.00 0.00 0.00 175.10 174.86 1xoa s ASP 26 N 1.87 6.35 -0.22 3.32 3.68 0.39 -0.64 116.67 131.41 1xoa s ASP 26 Ca 0.22 -0.35 -0.29 0.00 2.13 0.00 0.00 52.55 54.26 1xoa s ASP 26 Cb -0.15 -2.37 0.01 0.00 -1.45 0.00 0.00 42.92 38.96 1xoa s ASP 26 CO 0.16 -0.98 1.04 -0.36 0.13 0.00 0.00 175.17 175.17 1xoa s PHE 27 N 3.29 3.34 0.27 -5.34 0.40 0.22 -0.70 117.98 119.46 1xoa s PHE 27 Ca 0.26 1.47 0.02 0.00 -0.60 0.00 0.00 56.93 58.09 1xoa s PHE 27 Cb -0.14 -3.27 -0.04 0.00 0.51 0.00 0.00 43.02 40.08 1xoa s PHE 27 CO 0.19 -0.49 0.16 1.67 0.70 0.00 0.00 175.22 177.45 1xoa s TRP 28 N 3.15 1.49 0.05 0.36 1.48 -0.09 -2.39 118.94 122.99 1xoa s TRP 28 Ca 0.44 -1.38 0.02 0.00 -1.06 0.00 0.00 56.10 54.13 1xoa s TRP 28 Cb -0.15 -0.77 -0.03 0.00 -1.16 0.00 0.00 33.47 31.36 1xoa s TRP 28 CO 0.07 -0.57 -0.08 0.00 -4.06 0.00 0.00 176.95 172.30 1xoa s ALA 29 N -3.76 0.69 0.32 2.67 0.00 -1.26 -0.38 121.76 120.04 1xoa s ALA 29 Ca 0.37 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.51 1xoa s ALA 29 Cb 0.06 0.04 0.67 0.00 0.00 0.00 0.00 23.12 23.89 1xoa s ALA 29 CO 0.17 -0.03 1.87 0.93 0.00 0.00 0.00 175.76 178.70 1xoa h GLU 30 N 4.28 0.84 -0.00 0.00 4.39 -1.98 0.72 114.58 122.83 1xoa h GLU 30 Ca -0.36 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1xoa h GLU 30 Cb 1.20 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1xoa h GLU 30 CO 0.44 0.56 -0.05 -2.67 -1.16 0.00 0.00 179.01 176.12 1xoa n TRP 31 N -4.56 0.00 -2.55 4.33 4.27 -1.26 -4.69 117.44 112.97 1xoa n TRP 31 Ca 0.17 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.36 1xoa n TRP 31 Cb 0.37 -0.10 -0.01 0.00 -1.36 0.00 0.00 31.31 30.21 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 12.86 -0.63 0.42 0.00 0.00 -1.84 0.24 103.07 114.12 1xoa h GLY 33 Ca 0.42 0.72 0.13 0.00 0.00 0.00 0.00 47.33 48.60 1xoa h GLY 33 CO 1.45 -0.03 0.62 -2.55 0.00 0.00 0.00 176.54 176.03 1xoa h PRO 34 N -0.05 0.89 -0.11 4.80 0.11 -1.96 0.19 132.00 135.87 1xoa h PRO 34 Ca 0.19 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 1xoa h PRO 34 Cb 0.48 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1xoa h PRO 34 CO -0.90 0.59 0.05 0.00 -0.21 0.00 0.00 178.00 177.53 1xoa h LYS 36 N 0.06 0.73 -0.91 0.00 1.57 -0.54 -1.99 116.57 115.48 1xoa h LYS 36 Ca 0.04 -0.09 0.15 0.00 -1.87 0.00 0.00 60.65 58.88 1xoa h LYS 36 Cb 0.11 -0.14 -0.09 0.00 0.08 0.00 0.00 32.23 32.19 1xoa h LYS 36 CO -0.01 0.57 0.52 1.98 -0.57 0.00 0.00 179.45 181.95 1xoa h MET 37 N 0.69 0.71 0.00 3.15 4.05 -0.20 0.63 114.93 123.96 1xoa h MET 37 Ca 0.18 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.56 1xoa h MET 37 Cb 0.06 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 30.70 1xoa h MET 37 CO -0.03 0.47 -0.15 0.44 0.23 0.00 0.00 176.91 177.87 1xoa n ILE 38 N -4.79 0.21 -0.21 1.77 -5.35 -0.42 -4.31 119.36 106.26 1xoa n ILE 38 Ca 0.19 -0.12 -0.01 0.00 -0.27 0.00 0.00 62.75 62.55 1xoa n ILE 38 Cb 0.45 -0.36 0.06 0.00 -1.74 0.00 0.00 39.64 38.05 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 2.80 0.43 -0.90 -1.28 0.00 -0.12 0.21 119.26 120.40 1xoa h ALA 39 Ca 0.00 0.24 0.11 0.00 0.00 0.00 0.00 54.91 55.26 1xoa h ALA 39 Cb 0.60 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 1xoa h ALA 39 CO 0.00 -0.43 0.58 -1.35 0.00 0.00 0.00 179.25 178.05 1xoa h PRO 40 N 0.01 0.81 -0.06 0.00 0.11 -1.75 0.17 132.00 131.28 1xoa h PRO 40 Ca 0.30 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.35 1xoa h PRO 40 Cb 0.46 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.39 1xoa h PRO 40 CO -0.63 0.54 -0.00 0.82 -0.21 0.00 0.00 178.00 178.51 1xoa h ILE 41 N 0.83 1.26 -0.87 4.15 2.04 -0.96 0.41 117.51 124.37 1xoa h ILE 41 Ca 0.43 -0.82 0.09 0.00 1.00 0.00 0.00 64.86 65.57 1xoa h ILE 41 Cb 0.51 1.69 -0.07 0.00 -0.74 0.00 0.00 36.82 38.20 1xoa h ILE 41 CO -0.19 0.22 0.52 -0.07 0.00 0.00 0.00 178.15 178.63 1xoa h LEU 42 N -0.20 0.76 0.24 1.44 3.38 0.06 0.17 115.31 121.17 1xoa h LEU 42 Ca 0.02 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1xoa h LEU 42 Cb 0.36 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1xoa h LEU 42 CO 0.00 0.44 -0.12 0.44 0.09 0.00 0.00 178.44 179.30 1xoa h ASP 43 N 0.87 -0.27 -0.46 -0.43 3.32 -0.48 0.10 116.42 119.07 1xoa h ASP 43 Ca 0.41 -0.05 0.08 0.00 0.02 0.00 0.00 57.03 57.49 1xoa h ASP 43 Cb 0.34 0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.90 1xoa h ASP 43 CO -0.23 -0.13 0.09 -0.08 -1.72 0.00 0.00 179.24 177.16 1xoa h GLU 44 N -0.40 0.22 -0.15 3.56 4.57 -0.22 -0.20 114.58 121.96 1xoa h GLU 44 Ca -0.03 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.16 1xoa h GLU 44 Cb 0.30 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 1xoa h GLU 44 CO 0.05 0.14 -0.03 0.82 -1.18 0.00 0.00 179.01 178.82 1xoa h ILE 45 N 0.22 0.86 -0.76 2.32 1.08 -0.50 0.11 117.51 120.84 1xoa h ILE 45 Ca 0.23 -0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.82 1xoa h ILE 45 Cb 0.30 0.85 -0.08 0.00 -3.07 0.00 0.00 36.82 34.81 1xoa h ILE 45 CO -0.30 0.00 0.36 0.00 -0.69 0.00 0.00 178.15 177.52 1xoa h ALA 46 N 1.15 1.08 0.06 1.87 0.00 0.23 0.14 119.26 123.80 1xoa h ALA 46 Ca 0.07 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xoa h ALA 46 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1xoa h ALA 46 CO -0.15 -0.10 -0.03 0.22 0.00 0.00 0.00 179.25 179.19 1xoa h ASP 47 N 0.56 -0.07 -0.57 0.00 3.58 -0.39 -2.95 116.42 116.58 1xoa h ASP 47 Ca 0.40 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.61 1xoa h ASP 47 Cb 0.52 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.56 1xoa h ASP 47 CO -0.33 0.20 0.36 -0.33 -2.88 0.00 0.00 179.24 176.26 1xoa h GLU 48 N -0.35 0.76 -0.97 0.28 5.08 -0.05 -3.06 114.58 116.28 1xoa h GLU 48 Ca -0.01 -0.06 -0.42 0.00 -1.00 0.00 0.00 59.36 57.88 1xoa h GLU 48 Cb 0.31 -0.17 -0.25 0.00 0.50 0.00 0.00 28.75 29.14 1xoa h GLU 48 CO 0.01 0.52 0.53 0.66 -1.00 0.00 0.00 179.01 179.74 1xoa n TYR 49 N -4.67 2.63 -1.59 4.33 4.02 0.43 -5.01 117.16 117.30 1xoa n TYR 49 Ca 0.04 -1.60 -0.50 0.00 -0.01 0.00 0.00 57.90 55.83 1xoa n TYR 49 Cb 0.03 -0.83 -0.05 0.00 -0.02 0.00 0.00 39.34 38.47 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 -0.82 1.23 0.00 -0.72 0.00 -1.12 -0.58 117.38 115.36 1xoa n GLN 50 Ca 0.50 0.44 0.00 0.00 0.00 0.00 0.00 57.00 57.94 1xoa n GLN 50 Cb 1.50 -2.02 0.00 0.00 0.00 0.00 0.00 30.24 29.72 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 2.30 2.27 0.13 2.61 0.00 -1.26 -4.66 105.19 106.58 1xoa n GLY 51 Ca 0.16 0.00 -0.20 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 -1.78 0.65 -3.89 1.61 5.02 0.12 -4.92 118.16 114.96 1xoa n LYS 52 Ca 0.00 0.19 -0.27 0.00 -2.02 0.00 0.00 58.31 56.21 1xoa n LYS 52 Cb 0.00 -1.54 -0.17 0.00 -0.02 0.00 0.00 35.03 33.30 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 -6.75 1.16 -0.53 -0.35 2.96 0.25 -4.22 118.68 111.20 1xoa s LEU 53 Ca -0.34 -0.31 -0.18 0.00 -0.22 0.00 0.00 54.13 53.08 1xoa s LEU 53 Cb 0.10 -0.81 0.08 0.00 0.50 0.00 0.00 46.19 46.05 1xoa s LEU 53 CO 0.60 -0.13 0.61 -0.89 -1.32 0.00 0.00 176.35 175.22 1xoa s THR 54 N 1.73 4.92 0.32 3.68 2.01 0.17 -4.59 115.64 123.88 1xoa s THR 54 Ca 0.05 -0.75 -0.26 0.00 0.31 0.00 0.00 61.69 61.03 1xoa s THR 54 Cb -0.13 -4.33 -0.10 0.00 0.01 0.00 0.00 72.50 67.96 1xoa s THR 54 CO -0.08 -0.86 0.96 -0.69 -0.69 0.00 0.00 174.62 173.26 1xoa s VAL 55 N 2.46 4.12 0.03 3.82 1.01 -1.26 -0.77 120.40 129.81 1xoa s VAL 55 Ca 0.12 1.78 -0.00 0.00 0.00 0.00 0.00 61.98 63.87 1xoa s VAL 55 Cb -0.22 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 1xoa s VAL 55 CO 0.09 0.16 -0.03 0.00 0.00 0.00 0.00 175.10 175.33 1xoa s ALA 56 N -1.57 0.18 -0.27 5.51 0.00 0.78 -0.83 121.76 125.56 1xoa s ALA 56 Ca 0.50 -0.69 -0.02 0.00 0.00 0.00 0.00 51.96 51.76 1xoa s ALA 56 Cb -0.20 0.17 0.08 0.00 0.00 0.00 0.00 23.12 23.18 1xoa s ALA 56 CO 0.25 -0.20 0.07 0.15 0.00 0.00 0.00 175.76 176.04 1xoa s LYS 57 N -1.89 0.70 -0.28 0.00 1.02 0.09 -0.46 119.74 118.91 1xoa s LYS 57 Ca -0.12 -0.81 -0.12 0.00 0.02 0.00 0.00 55.97 54.94 1xoa s LYS 57 Cb -0.07 -1.99 -0.04 0.00 -0.52 0.00 0.00 37.83 35.21 1xoa s LYS 57 CO -0.03 -0.85 0.25 -1.17 -0.92 0.00 0.00 175.35 172.63 1xoa s LEU 58 N 1.73 4.07 -0.57 3.17 0.20 0.12 -3.78 118.68 123.61 1xoa s LEU 58 Ca 0.05 0.04 -0.28 0.00 0.69 0.00 0.00 54.13 54.63 1xoa s LEU 58 Cb -0.17 -2.21 0.03 0.00 -0.43 0.00 0.00 46.19 43.40 1xoa s LEU 58 CO -0.20 -0.11 1.18 0.21 -0.29 0.00 0.00 176.35 177.15 1xoa s ASN 59 N 1.72 6.46 0.49 3.68 3.04 -1.26 -0.92 114.94 128.16 1xoa s ASN 59 Ca 0.09 0.12 0.21 0.00 0.04 0.00 0.00 52.86 53.32 1xoa s ASN 59 Cb -0.16 -2.55 1.26 0.00 -1.54 0.00 0.00 41.25 38.26 1xoa s ASN 59 CO 0.11 -1.47 2.05 0.16 -3.04 0.00 0.00 177.10 174.91 1xoa h ILE 60 N 6.16 0.85 0.13 -5.21 -0.00 -0.92 -0.09 117.51 118.43 1xoa h ILE 60 Ca -0.25 -0.54 -0.01 0.00 -0.00 0.00 0.00 64.86 64.07 1xoa h ILE 60 Cb 1.06 1.31 0.00 0.00 -0.00 0.00 0.00 36.82 39.19 1xoa h ILE 60 CO 1.18 0.14 -0.06 0.44 -0.00 0.00 0.00 178.15 179.85 1xoa h ASP 61 N 0.00 -0.15 0.56 2.16 3.32 -1.91 -0.57 116.42 119.82 1xoa h ASP 61 Ca -0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 1xoa h ASP 61 Cb 0.30 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1xoa h ASP 61 CO 0.02 -0.10 -0.77 1.56 -1.72 0.00 0.00 179.24 178.22 1xoa h GLN 62 N -0.18 0.16 -2.25 3.56 4.20 -1.91 -3.37 115.11 115.32 1xoa h GLN 62 Ca -0.02 -0.15 -0.61 0.00 0.06 0.00 0.00 58.65 57.93 1xoa h GLN 62 Cb 0.14 0.04 -0.41 0.00 0.30 0.00 0.00 27.48 27.54 1xoa h GLN 62 CO 0.03 0.85 -0.52 0.09 -0.67 0.00 0.00 178.83 178.61 1xoa n ASN 63 N -3.72 4.12 -0.13 1.46 3.02 -0.06 -4.91 115.26 115.04 1xoa n ASN 63 Ca -0.03 -3.51 -0.10 0.00 -0.03 0.00 0.00 54.58 50.92 1xoa n ASN 63 Cb 0.73 -0.68 -0.02 0.00 -0.61 0.00 0.00 39.78 39.21 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 0.60 -1.14 3.52 0.13 -1.29 -3.17 132.00 134.60 1xoa h PRO 64 Ca 0.19 -0.15 0.36 0.00 -0.87 0.00 0.00 66.00 65.53 1xoa h PRO 64 Cb 0.62 -0.07 -0.13 0.00 0.13 0.00 0.00 31.00 31.54 1xoa h PRO 64 CO 0.86 0.65 0.70 0.78 -0.23 0.00 0.00 178.00 180.77 1xoa h GLY 65 N 0.45 1.62 2.00 1.56 0.00 -1.91 0.58 103.07 107.37 1xoa h GLY 65 Ca 0.11 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 1xoa h GLY 65 CO 0.00 -0.41 -0.20 -0.84 0.00 0.00 0.00 176.54 175.09 1xoa h THR 66 N 0.22 0.58 0.94 4.70 2.02 -1.94 -3.30 112.91 116.13 1xoa h THR 66 Ca 0.75 -0.95 -0.05 0.00 0.77 0.00 0.00 66.41 66.94 1xoa h THR 66 Cb 2.04 1.63 0.01 0.00 -1.74 0.00 0.00 68.15 70.09 1xoa h THR 66 CO -0.48 0.20 -0.45 0.00 0.37 0.00 0.00 175.52 175.15 1xoa h ALA 67 N 1.80 -1.26 -0.33 6.16 0.00 -1.04 -3.13 119.26 121.45 1xoa h ALA 67 Ca -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1xoa h ALA 67 Cb 0.61 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1xoa h ALA 67 CO 0.03 -1.20 0.10 -1.00 0.00 0.00 0.00 179.25 177.18 1xoa h PRO 68 N -1.27 0.47 -0.88 0.00 0.13 -1.73 -0.17 132.00 128.55 1xoa h PRO 68 Ca -0.13 -0.07 0.21 0.00 -0.87 0.00 0.00 66.00 65.15 1xoa h PRO 68 Cb 0.97 -0.09 -0.12 0.00 0.13 0.00 0.00 31.00 31.89 1xoa h PRO 68 CO 0.21 0.42 0.38 0.87 -0.23 0.00 0.00 178.00 179.66 1xoa h LYS 69 N 0.47 0.40 -0.29 0.86 1.57 -1.62 0.61 116.57 118.56 1xoa h LYS 69 Ca 0.11 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.76 1xoa h LYS 69 Cb 0.15 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.30 1xoa h LYS 69 CO -0.01 0.26 -0.07 0.66 -0.57 0.00 0.00 179.45 179.73 1xoa n TYR 70 N -5.04 0.93 -4.03 -1.35 4.01 -1.11 -4.99 117.16 105.58 1xoa n TYR 70 Ca 0.21 -1.37 -0.30 0.00 -0.16 0.00 0.00 57.90 56.28 1xoa n TYR 70 Cb 0.62 -0.41 -0.06 0.00 -0.31 0.00 0.00 39.34 39.18 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 -0.99 -0.26 3.59 2.72 0.00 0.20 -4.76 105.19 105.70 1xoa n GLY 71 Ca 0.28 0.18 -0.51 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.13 0.37 0.06 -0.61 -0.00 -0.15 -4.86 119.36 110.03 1xoa n ILE 72 Ca -0.23 -0.18 -0.20 0.00 -0.00 0.00 0.00 62.75 62.14 1xoa n ILE 72 Cb 0.56 -1.71 -0.14 0.00 -0.00 0.00 0.00 39.64 38.35 1xoa n ILE 72 CO 0.00 0.00 0.00 0.03 -0.00 0.00 0.00 176.55 176.58 1xoa h ARG 73 N 10.41 0.34 -1.70 0.38 -0.00 -1.91 -3.47 114.38 118.42 1xoa h ARG 73 Ca -0.40 -0.55 0.03 0.00 -0.50 0.00 0.00 59.98 58.56 1xoa h ARG 73 Cb 1.30 0.20 -0.24 0.00 0.00 0.00 0.00 29.97 31.23 1xoa h ARG 73 CO 0.98 1.26 0.39 0.20 0.00 0.00 0.00 179.97 182.79 1xoa s GLY 74 N -4.41 -0.29 0.13 0.04 0.00 -1.26 -5.16 107.32 96.37 1xoa s GLY 74 Ca -0.13 2.31 -0.07 0.00 0.00 0.00 0.00 44.72 46.82 1xoa s GLY 74 CO 0.84 1.58 0.41 -0.26 0.00 0.00 0.00 173.10 175.67 1xoa s ILE 75 N -0.13 5.11 0.19 0.90 -4.36 -1.26 -3.69 121.20 117.95 1xoa s ILE 75 Ca 0.00 0.24 -0.30 0.00 -0.26 0.00 0.00 60.65 60.34 1xoa s ILE 75 Cb -0.04 -3.63 -0.08 0.00 1.25 0.00 0.00 42.46 39.96 1xoa s ILE 75 CO -0.02 0.12 1.26 -2.16 0.24 0.00 0.00 174.94 174.38 1xoa s PRO 76 N -2.39 4.43 -0.25 0.37 0.04 -1.26 -4.73 135.00 131.21 1xoa s PRO 76 Ca 0.39 1.97 -0.03 0.00 0.04 0.00 0.00 61.00 63.38 1xoa s PRO 76 Cb -0.13 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 31.21 1xoa s PRO 76 CO 0.22 -0.19 -0.04 0.99 0.04 0.00 0.00 177.00 178.02 1xoa s THR 77 N 0.10 3.09 -0.73 1.26 2.01 -1.01 -0.40 115.64 119.97 1xoa s THR 77 Ca 0.55 -0.91 -0.16 0.00 0.31 0.00 0.00 61.69 61.49 1xoa s THR 77 Cb -0.35 -2.55 0.17 0.00 0.01 0.00 0.00 72.50 69.78 1xoa s THR 77 CO 0.37 0.21 0.71 -0.76 -0.69 0.00 0.00 174.62 174.47 1xoa s LEU 78 N 1.37 6.30 -0.35 4.42 1.43 0.41 -0.61 118.68 131.65 1xoa s LEU 78 Ca 0.01 -2.23 -0.19 0.00 -1.03 0.00 0.00 54.13 50.68 1xoa s LEU 78 Cb -0.16 -2.24 -0.00 0.00 0.03 0.00 0.00 46.19 43.82 1xoa s LEU 78 CO -0.03 -0.76 0.59 -0.76 0.23 0.00 0.00 176.35 175.62 1xoa s LEU 79 N 1.08 4.29 -0.60 1.79 1.02 0.19 -0.81 118.68 125.63 1xoa s LEU 79 Ca 0.14 0.09 -0.19 0.00 0.02 0.00 0.00 54.13 54.19 1xoa s LEU 79 Cb -0.17 -2.71 0.10 0.00 0.02 0.00 0.00 46.19 43.43 1xoa s LEU 79 CO -0.04 -0.54 0.73 -0.22 0.02 0.00 0.00 176.35 176.30 1xoa s LEU 80 N 2.58 5.29 -0.41 1.79 2.96 0.09 -0.41 118.68 130.57 1xoa s LEU 80 Ca 0.22 -1.38 -0.19 0.00 -0.22 0.00 0.00 54.13 52.56 1xoa s LEU 80 Cb -0.15 -2.32 0.02 0.00 0.50 0.00 0.00 46.19 44.24 1xoa s LEU 80 CO 0.14 -1.14 0.53 -0.36 -1.32 0.00 0.00 176.35 174.20 1xoa s PHE 81 N 2.82 3.13 -0.48 5.38 0.40 0.78 -0.16 117.98 129.84 1xoa s PHE 81 Ca 0.13 -0.14 -0.19 0.00 -0.60 0.00 0.00 56.93 56.12 1xoa s PHE 81 Cb -0.23 -3.08 0.05 0.00 0.51 0.00 0.00 43.02 40.26 1xoa s PHE 81 CO 0.07 -0.74 0.61 0.15 0.70 0.00 0.00 175.22 176.01 1xoa s LYS 82 N 2.46 3.15 -1.40 0.44 1.02 0.40 -0.62 119.74 125.19 1xoa s LYS 82 Ca 0.17 -0.76 -0.08 0.00 0.02 0.00 0.00 55.97 55.33 1xoa s LYS 82 Cb -0.16 -4.05 0.01 0.00 -0.52 0.00 0.00 37.83 33.11 1xoa s LYS 82 CO 0.16 -1.14 0.35 -1.71 -0.92 0.00 0.00 175.35 172.09 1xoa n ASN 83 N 6.15 -1.02 0.00 2.83 4.05 -0.22 -0.44 115.26 126.61 1xoa n ASN 83 Ca -0.05 -1.15 0.00 0.00 0.45 0.00 0.00 54.58 53.82 1xoa n ASN 83 Cb 0.46 -2.34 0.00 0.00 1.23 0.00 0.00 39.78 39.13 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 -2.19 3.05 3.60 8.20 0.00 -1.14 -4.77 105.19 111.94 1xoa n GLY 84 Ca -0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.10 3.83 -0.35 1.61 0.41 0.42 -4.90 118.70 119.63 1xoa s GLU 85 Ca 0.00 0.56 -0.28 0.00 -0.41 0.00 0.00 54.97 54.84 1xoa s GLU 85 Cb 0.00 -3.80 -0.03 0.00 -1.78 0.00 0.00 34.13 28.51 1xoa s GLU 85 CO 0.00 -0.94 2.00 0.08 -0.49 0.00 0.00 175.26 175.91 1xoa s VAL 86 N 3.44 3.27 -0.02 2.63 1.01 -1.26 -0.46 120.40 129.02 1xoa s VAL 86 Ca 0.37 0.26 -0.20 0.00 0.00 0.00 0.00 61.98 62.41 1xoa s VAL 86 Cb -0.12 -3.42 -0.31 0.00 0.00 0.00 0.00 36.38 32.53 1xoa s VAL 86 CO 0.18 -0.30 0.97 0.00 0.00 0.00 0.00 175.10 175.95 1xoa h ALA 87 N 14.51 -0.07 -2.97 5.51 0.00 -0.92 -3.48 119.26 131.85 1xoa h ALA 87 Ca -0.34 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 53.84 1xoa h ALA 87 Cb 1.20 0.10 -0.12 0.00 0.00 0.00 0.00 17.79 18.97 1xoa h ALA 87 CO 1.05 0.46 0.22 0.00 0.00 0.00 0.00 179.25 180.97 1xoa s ALA 88 N -2.64 -1.61 -0.26 0.00 0.00 -1.23 -5.03 121.76 110.99 1xoa s ALA 88 Ca -0.12 0.52 -0.02 0.00 0.00 0.00 0.00 51.96 52.33 1xoa s ALA 88 Cb 0.02 0.86 0.08 0.00 0.00 0.00 0.00 23.12 24.09 1xoa s ALA 88 CO 0.86 -0.76 0.08 0.95 0.00 0.00 0.00 175.76 176.89 1xoa s THR 89 N -3.71 0.60 -0.35 0.00 -4.23 -1.26 -0.73 115.64 105.97 1xoa s THR 89 Ca 0.01 -0.99 -0.23 0.00 -1.18 0.00 0.00 61.69 59.30 1xoa s THR 89 Cb -0.01 -1.33 0.01 0.00 1.34 0.00 0.00 72.50 72.51 1xoa s THR 89 CO -0.13 -0.51 0.77 -0.75 -0.54 0.00 0.00 174.62 173.46 1xoa s LYS 90 N 1.78 3.79 -0.27 3.99 2.36 0.01 -4.87 119.74 126.52 1xoa s LYS 90 Ca 0.06 0.34 -0.19 0.00 -2.55 0.00 0.00 55.97 53.62 1xoa s LYS 90 Cb -0.17 -3.79 -0.02 0.00 -1.05 0.00 0.00 37.83 32.80 1xoa s LYS 90 CO -0.21 -0.81 0.59 0.08 1.55 0.00 0.00 175.35 176.55 1xoa s VAL 91 N 3.04 5.00 0.00 4.02 1.01 -1.26 -0.44 120.40 131.76 1xoa s VAL 91 Ca 0.31 0.96 0.00 0.00 0.00 0.00 0.00 61.98 63.25 1xoa s VAL 91 Cb -0.13 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1xoa s VAL 91 CO 0.16 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.87 1xoa n GLY 92 N 4.32 1.78 3.83 4.51 0.00 0.47 -5.02 105.19 115.08 1xoa n GLY 92 Ca -0.02 -1.98 -0.30 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.36 2.43 0.19 4.61 0.00 -1.26 -4.71 121.76 120.65 1xoa s ALA 93 Ca 0.00 -0.28 -0.24 0.00 0.00 0.00 0.00 51.96 51.44 1xoa s ALA 93 Cb 0.00 -3.07 0.05 0.00 0.00 0.00 0.00 23.12 20.10 1xoa s ALA 93 CO 0.00 -1.58 0.85 -0.48 0.00 0.00 0.00 175.76 174.54 1xoa s LEU 94 N -5.66 -0.24 0.63 0.00 2.34 -1.26 -5.11 118.68 109.37 1xoa s LEU 94 Ca 0.60 -0.42 0.06 0.00 0.06 0.00 0.00 54.13 54.43 1xoa s LEU 94 Cb -0.13 2.38 0.10 0.00 -0.56 0.00 0.00 46.19 47.98 1xoa s LEU 94 CO 0.53 -1.05 0.87 -0.94 -1.06 0.00 0.00 176.35 174.71 1xoa s SER 95 N -2.89 4.81 0.90 1.48 1.04 -1.26 -4.90 113.70 112.88 1xoa s SER 95 Ca 0.11 -0.68 -0.11 0.00 0.48 0.00 0.00 55.95 55.74 1xoa s SER 95 Cb -0.03 0.21 0.13 0.00 0.10 0.00 0.00 66.02 66.43 1xoa s SER 95 CO 0.02 -1.54 1.11 -0.75 0.98 0.00 0.00 173.24 173.06 1xoa s LYS 96 N -4.84 1.20 0.00 4.02 2.20 -1.26 -1.10 119.74 119.96 1xoa s LYS 96 Ca 0.64 1.25 0.00 0.00 -0.36 0.00 0.00 55.97 57.50 1xoa s LYS 96 Cb -0.05 -1.77 0.00 0.00 -1.51 0.00 0.00 37.83 34.50 1xoa s LYS 96 CO 0.41 -2.40 0.00 0.41 -0.36 0.00 0.00 175.35 173.41 1xoa n GLY 97 N -0.35 1.65 0.33 5.54 0.00 -1.26 -4.41 105.19 106.70 1xoa n GLY 97 Ca 0.09 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 1xoa n GLY 97 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1xoa h GLN 98 N 0.00 -0.77 -0.49 1.61 4.20 -1.96 0.13 115.11 117.83 1xoa h GLN 98 Ca 0.00 0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.81 1xoa h GLN 98 Cb 0.00 0.17 -0.05 0.00 0.30 0.00 0.00 27.48 27.91 1xoa h GLN 98 CO 0.00 -0.49 0.24 1.25 -0.67 0.00 0.00 178.83 179.16 1xoa h LEU 99 N -0.86 0.32 -0.21 1.46 5.85 -1.32 -0.21 115.31 120.34 1xoa h LEU 99 Ca -0.08 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.71 1xoa h LEU 99 Cb 0.64 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 1xoa h LEU 99 CO 0.13 0.22 -0.03 0.11 -0.34 0.00 0.00 178.44 178.54 1xoa h LYS 100 N 0.46 0.03 -0.08 1.25 1.57 -1.77 0.53 116.57 118.57 1xoa h LYS 100 Ca 0.22 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.02 1xoa h LYS 100 Cb 0.15 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1xoa h LYS 100 CO -0.17 0.02 -0.04 1.49 -0.57 0.00 0.00 179.45 180.18 1xoa h GLU 101 N 0.03 -0.04 -0.20 3.15 4.57 -0.26 0.15 114.58 121.98 1xoa h GLU 101 Ca 0.10 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.34 1xoa h GLU 101 Cb 0.14 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.68 1xoa h GLU 101 CO -0.20 -0.02 -0.19 0.35 -1.18 0.00 0.00 179.01 177.77 1xoa h PHE 102 N -0.04 -0.48 -0.33 0.92 3.57 -0.64 0.82 116.94 120.77 1xoa h PHE 102 Ca 0.05 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.59 1xoa h PHE 102 Cb 0.11 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1xoa h PHE 102 CO -0.15 -0.26 0.18 -0.07 -2.23 0.00 0.00 178.31 175.78 1xoa h LEU 103 N -0.20 0.29 0.13 0.59 3.38 -0.52 -0.23 115.31 118.74 1xoa h LEU 103 Ca 0.12 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1xoa h LEU 103 Cb 0.38 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1xoa h LEU 103 CO -0.32 0.21 -0.24 0.44 0.09 0.00 0.00 178.44 178.62 1xoa h ASP 104 N 0.38 -0.68 -0.89 -0.43 3.32 -0.19 0.17 116.42 118.10 1xoa h ASP 104 Ca 0.13 0.08 0.11 0.00 0.02 0.00 0.00 57.03 57.37 1xoa h ASP 104 Cb 0.02 0.25 -0.07 0.00 0.22 0.00 0.00 39.33 39.76 1xoa h ASP 104 CO -0.07 -0.33 0.57 0.00 -1.72 0.00 0.00 179.24 177.69 1xoa h ALA 105 N 0.30 1.68 0.01 3.45 0.00 -0.57 0.90 119.26 125.03 1xoa h ALA 105 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xoa h ALA 105 Cb 0.47 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1xoa h ALA 105 CO -0.13 0.12 -0.00 -0.91 0.00 0.00 0.00 179.25 178.33 1xoa h ASN 106 N 0.84 -0.01 -0.72 0.00 2.35 -0.47 -3.32 115.58 114.24 1xoa h ASN 106 Ca 0.42 -0.82 0.01 0.00 -0.55 0.00 0.00 56.30 55.37 1xoa h ASN 106 Cb 0.49 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.82 1xoa h ASN 106 CO -0.19 0.85 0.48 -0.07 -1.65 0.00 0.00 177.43 176.85 1xoa h LEU 107 N -0.91 0.82 0.00 1.61 3.38 -0.52 -3.51 115.31 116.17 1xoa h LEU 107 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1xoa h LEU 107 Cb 0.83 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1xoa h LEU 107 CO 0.00 0.59 0.00 0.00 0.09 0.00 0.00 178.44 179.12