#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 3.04 -2.71 4.04 2.03 -1.26 -4.36 116.55 117.33 1xoa n ASP 2 Ca 0.00 -2.74 -0.36 0.00 0.52 0.00 0.00 54.79 52.21 1xoa n ASP 2 Cb 0.00 -1.34 0.04 0.00 -0.72 0.00 0.00 41.12 39.10 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 6.85 2.88 -4.46 -0.67 5.02 -1.26 -4.98 118.16 121.53 1xoa n LYS 3 Ca 0.50 -3.65 -0.34 0.00 -2.02 0.00 0.00 58.31 52.79 1xoa n LYS 3 Cb 0.41 -2.27 -0.10 0.00 -0.02 0.00 0.00 35.03 33.04 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 -5.08 4.05 -0.44 -0.18 1.01 -1.26 -4.48 121.20 114.82 1xoa s ILE 4 Ca 0.54 -0.34 -0.24 0.00 0.00 0.00 0.00 60.65 60.60 1xoa s ILE 4 Cb 0.45 -2.70 0.02 0.00 0.01 0.00 0.00 42.46 40.24 1xoa s ILE 4 CO -0.29 0.59 0.86 -0.63 0.00 0.00 0.00 174.94 175.46 1xoa s ILE 5 N -0.67 4.58 -1.33 2.92 -1.09 -0.03 -4.86 121.20 120.71 1xoa s ILE 5 Ca 0.10 0.68 -0.15 0.00 -2.23 0.00 0.00 60.65 59.05 1xoa s ILE 5 Cb -0.12 -4.36 0.09 0.00 -1.58 0.00 0.00 42.46 36.49 1xoa s ILE 5 CO 0.02 -0.72 1.85 1.41 -1.23 0.00 0.00 174.94 176.27 1xoa n HIS 6 N 6.89 4.21 -1.04 3.97 8.25 -1.26 -0.61 115.22 135.63 1xoa n HIS 6 Ca 0.04 -2.95 -0.31 0.00 -0.26 0.00 0.00 57.72 54.24 1xoa n HIS 6 Cb 0.48 -2.48 0.12 0.00 1.12 0.00 0.00 29.99 29.24 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 2.80 2.99 0.22 2.41 1.43 -1.24 -4.98 118.68 122.32 1xoa s LEU 7 Ca 0.49 2.05 0.08 0.00 -1.03 0.00 0.00 54.13 55.72 1xoa s LEU 7 Cb 0.06 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.69 1xoa s LEU 7 CO 0.01 -2.54 -0.14 0.42 0.23 0.00 0.00 176.35 174.34 1xoa s THR 8 N -2.67 1.81 0.20 5.49 -4.23 -1.26 -4.23 115.64 110.75 1xoa s THR 8 Ca 0.65 -2.23 -0.10 0.00 -1.18 0.00 0.00 61.69 58.84 1xoa s THR 8 Cb -0.21 -2.12 0.14 0.00 1.34 0.00 0.00 72.50 71.65 1xoa s THR 8 CO 0.55 -0.54 1.76 -0.78 -0.54 0.00 0.00 174.62 175.07 1xoa h ASP 9 N 2.50 0.29 -0.55 3.99 3.58 -1.93 0.49 116.42 124.78 1xoa h ASP 9 Ca -0.38 0.06 0.08 0.00 0.42 0.00 0.00 57.03 57.21 1xoa h ASP 9 Cb 1.23 0.03 -0.06 0.00 1.72 0.00 0.00 39.33 42.24 1xoa h ASP 9 CO 0.62 0.18 0.20 0.44 -2.88 0.00 0.00 179.24 177.81 1xoa h ASP 10 N 0.46 0.21 1.17 2.28 5.19 -2.01 -2.47 116.42 121.25 1xoa h ASP 10 Ca 0.30 0.07 -0.15 0.00 -0.62 0.00 0.00 57.03 56.63 1xoa h ASP 10 Cb 0.32 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.86 1xoa h ASP 10 CO -0.27 0.14 -0.70 0.77 -3.12 0.00 0.00 179.24 176.06 1xoa h SER 11 N 0.39 0.00 -0.89 6.45 4.64 -1.78 -3.38 113.55 118.98 1xoa h SER 11 Ca 0.27 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.72 1xoa h SER 11 Cb 0.31 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.25 1xoa h SER 11 CO -0.27 0.70 -0.36 0.33 -0.87 0.00 0.00 176.83 176.36 1xoa n PHE 12 N -3.34 -0.00 -0.01 4.77 -0.00 0.09 -0.79 117.46 118.18 1xoa n PHE 12 Ca 0.01 1.10 -0.10 0.00 -0.00 0.00 0.00 57.45 58.46 1xoa n PHE 12 Cb 0.79 -0.82 -0.04 0.00 -0.00 0.00 0.00 39.48 39.41 1xoa n PHE 12 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.76 177.14 1xoa h ASP 13 N 0.00 -0.16 -0.56 -2.13 2.03 -1.75 0.36 116.42 114.21 1xoa h ASP 13 Ca 0.30 0.04 -0.09 0.00 -0.73 0.00 0.00 57.03 56.55 1xoa h ASP 13 Cb 0.52 0.10 -0.02 0.00 -0.83 0.00 0.00 39.33 39.10 1xoa h ASP 13 CO -0.88 -0.07 -0.00 0.74 -1.03 0.00 0.00 179.24 178.00 1xoa h THR 14 N -0.03 1.26 0.00 1.15 2.02 -1.39 -2.31 112.91 113.61 1xoa h THR 14 Ca 0.07 -1.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.11 1xoa h THR 14 Cb 0.13 0.88 -0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1xoa h THR 14 CO -0.14 0.40 -0.25 0.44 0.37 0.00 0.00 175.52 176.34 1xoa h ASP 15 N 0.87 0.00 0.00 4.18 5.19 -0.80 -3.35 116.42 122.50 1xoa h ASP 15 Ca 0.16 -0.12 -0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1xoa h ASP 15 Cb 0.55 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.06 1xoa h ASP 15 CO 0.03 0.69 -0.00 0.58 -3.12 0.00 0.00 179.24 177.42 1xoa h VAL 16 N -1.00 1.52 -0.19 -1.35 2.07 -0.43 -2.77 116.25 114.10 1xoa h VAL 16 Ca -0.02 -2.11 -0.06 0.00 0.82 0.00 0.00 66.70 65.33 1xoa h VAL 16 Cb 0.34 2.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 1xoa h VAL 16 CO -0.01 0.51 -0.14 -0.07 0.02 0.00 0.00 177.57 177.88 1xoa h LEU 17 N -0.99 0.30 -3.48 2.57 3.38 -1.15 -0.92 115.31 115.02 1xoa h LEU 17 Ca -0.00 -0.07 -0.27 0.00 0.09 0.00 0.00 57.88 57.64 1xoa h LEU 17 Cb 0.84 -0.08 -0.16 0.00 0.09 0.00 0.00 40.66 41.35 1xoa h LEU 17 CO 0.00 0.47 0.34 0.29 0.09 0.00 0.00 178.44 179.63 1xoa n LYS 18 N -4.24 2.94 -1.36 1.13 5.02 -1.04 -1.95 118.16 118.66 1xoa n LYS 18 Ca -0.00 -2.58 -0.39 0.00 -2.02 0.00 0.00 58.31 53.31 1xoa n LYS 18 Cb 0.29 -2.06 -0.06 0.00 -0.02 0.00 0.00 35.03 33.18 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 -0.33 2.65 -1.32 7.82 0.00 -0.38 -4.84 120.51 124.11 1xoa n ALA 19 Ca 0.40 -3.17 -0.37 0.00 0.00 0.00 0.00 53.44 50.30 1xoa n ALA 19 Cb 1.32 -3.60 -0.07 0.00 0.00 0.00 0.00 19.45 17.10 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 9.70 2.30 0.00 0.00 2.03 -1.26 0.07 116.55 129.39 1xoa n ASP 20 Ca 0.48 -2.64 0.00 0.00 0.52 0.00 0.00 54.79 53.15 1xoa n ASP 20 Cb 0.42 -1.23 0.00 0.00 -0.72 0.00 0.00 41.12 39.60 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 5.09 -0.77 3.44 0.27 0.00 -1.26 -5.01 105.19 106.95 1xoa n GLY 21 Ca 0.47 0.30 -0.06 0.00 0.00 0.00 0.00 46.02 46.73 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 -1.52 -0.18 4.61 0.00 -1.26 -4.34 121.76 118.07 1xoa s ALA 22 Ca 0.00 1.90 0.01 0.00 0.00 0.00 0.00 51.96 53.87 1xoa s ALA 22 Cb 0.00 -1.43 0.02 0.00 0.00 0.00 0.00 23.12 21.71 1xoa s ALA 22 CO 0.00 -0.70 -0.19 0.42 0.00 0.00 0.00 175.76 175.29 1xoa s ILE 23 N 2.41 2.04 -0.51 0.00 1.01 0.18 -0.63 121.20 125.70 1xoa s ILE 23 Ca -0.05 -0.96 -0.19 0.00 0.00 0.00 0.00 60.65 59.45 1xoa s ILE 23 Cb -0.11 -1.86 0.06 0.00 0.01 0.00 0.00 42.46 40.57 1xoa s ILE 23 CO -0.16 0.50 0.62 -0.22 0.00 0.00 0.00 174.94 175.69 1xoa s LEU 24 N 1.29 5.06 -0.45 2.97 2.96 0.29 -0.50 118.68 130.29 1xoa s LEU 24 Ca 0.04 -1.00 -0.22 0.00 -0.22 0.00 0.00 54.13 52.73 1xoa s LEU 24 Cb -0.13 -2.41 0.03 0.00 0.50 0.00 0.00 46.19 44.17 1xoa s LEU 24 CO -0.12 -0.91 0.74 -0.69 -1.32 0.00 0.00 176.35 174.05 1xoa s VAL 25 N 2.58 4.70 -0.27 1.68 1.01 0.54 -0.36 120.40 130.29 1xoa s VAL 25 Ca 0.14 0.28 -0.20 0.00 0.00 0.00 0.00 61.98 62.20 1xoa s VAL 25 Cb -0.20 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 31.87 1xoa s VAL 25 CO 0.11 -0.70 0.61 -0.62 0.00 0.00 0.00 175.10 174.50 1xoa s ASP 26 N 2.14 6.54 -0.15 3.32 3.68 0.37 -0.76 116.67 131.82 1xoa s ASP 26 Ca 0.27 0.61 -0.23 0.00 2.13 0.00 0.00 52.55 55.33 1xoa s ASP 26 Cb -0.13 -2.33 -0.03 0.00 -1.45 0.00 0.00 42.92 38.99 1xoa s ASP 26 CO 0.21 -0.39 0.72 -0.36 0.13 0.00 0.00 175.17 175.48 1xoa s PHE 27 N 2.50 3.45 0.30 -5.34 0.40 0.14 -0.59 117.98 118.86 1xoa s PHE 27 Ca 0.25 1.14 0.05 0.00 -0.60 0.00 0.00 56.93 57.77 1xoa s PHE 27 Cb -0.15 -2.87 -0.03 0.00 0.51 0.00 0.00 43.02 40.47 1xoa s PHE 27 CO 0.09 -0.11 0.21 1.67 0.70 0.00 0.00 175.22 177.78 1xoa s TRP 28 N 1.63 1.61 0.00 0.36 1.48 0.05 -3.39 118.94 120.68 1xoa s TRP 28 Ca 0.35 -1.52 -0.17 0.00 -1.06 0.00 0.00 56.10 53.70 1xoa s TRP 28 Cb -0.17 -0.74 0.03 0.00 -1.16 0.00 0.00 33.47 31.43 1xoa s TRP 28 CO 0.13 -0.71 0.37 0.00 -4.06 0.00 0.00 176.95 172.68 1xoa s ALA 29 N -3.61 -0.92 0.35 2.67 0.00 -1.26 -0.54 121.76 118.45 1xoa s ALA 29 Ca 0.38 0.37 0.07 0.00 0.00 0.00 0.00 51.96 52.78 1xoa s ALA 29 Cb 0.04 0.16 0.75 0.00 0.00 0.00 0.00 23.12 24.07 1xoa s ALA 29 CO 0.21 -0.34 1.92 0.93 0.00 0.00 0.00 175.76 178.48 1xoa h GLU 30 N 3.49 0.73 0.00 0.00 5.08 -1.99 0.32 114.58 122.22 1xoa h GLU 30 Ca -0.30 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1xoa h GLU 30 Cb 1.18 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1xoa h GLU 30 CO 0.42 0.49 0.00 -2.67 -1.00 0.00 0.00 179.01 176.24 1xoa n TRP 31 N -4.51 0.20 -2.56 4.33 4.27 -1.26 -4.66 117.44 113.25 1xoa n TRP 31 Ca 0.14 0.06 -0.42 0.00 -3.89 0.00 0.00 57.50 53.39 1xoa n TRP 31 Cb 0.33 -0.60 -0.01 0.00 -1.36 0.00 0.00 31.31 29.67 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 12.82 -0.53 0.81 0.00 0.00 -1.84 0.10 103.07 114.43 1xoa h GLY 33 Ca 0.41 0.66 0.14 0.00 0.00 0.00 0.00 47.33 48.53 1xoa h GLY 33 CO 1.45 -0.09 0.46 -2.55 0.00 0.00 0.00 176.54 175.81 1xoa h PRO 34 N -0.11 0.35 -0.44 4.80 0.11 -1.96 0.83 132.00 135.58 1xoa h PRO 34 Ca 0.20 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.24 1xoa h PRO 34 Cb 0.52 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 1xoa h PRO 34 CO -0.84 0.23 0.08 0.00 -0.21 0.00 0.00 178.00 177.26 1xoa h LYS 36 N 0.60 0.30 -0.91 0.00 1.79 -0.48 -2.38 116.57 115.50 1xoa h LYS 36 Ca 0.14 -0.03 0.19 0.00 -2.18 0.00 0.00 60.65 58.76 1xoa h LYS 36 Cb 0.37 -0.06 -0.11 0.00 -1.58 0.00 0.00 32.23 30.85 1xoa h LYS 36 CO 0.01 0.28 0.47 1.98 -1.08 0.00 0.00 179.45 181.11 1xoa h MET 37 N 0.25 0.56 -0.00 3.15 4.05 -0.41 0.90 114.93 123.43 1xoa h MET 37 Ca 0.08 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1xoa h MET 37 Cb 0.06 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 30.73 1xoa h MET 37 CO -0.01 0.37 -0.16 0.44 0.23 0.00 0.00 176.91 177.78 1xoa n ILE 38 N -4.91 0.00 -0.09 1.77 -5.35 -0.46 -4.30 119.36 106.02 1xoa n ILE 38 Ca 0.21 -0.01 -0.06 0.00 -0.27 0.00 0.00 62.75 62.61 1xoa n ILE 38 Cb 0.56 -0.21 0.00 0.00 -1.74 0.00 0.00 39.64 38.25 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 3.13 0.11 -0.94 -1.28 0.00 -0.29 0.11 119.26 120.11 1xoa h ALA 39 Ca 0.00 0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.16 1xoa h ALA 39 Cb 0.46 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 18.54 1xoa h ALA 39 CO 0.00 -0.53 0.56 -1.35 0.00 0.00 0.00 179.25 177.93 1xoa h PRO 40 N -0.10 0.84 0.23 0.00 0.11 -1.75 0.16 132.00 131.50 1xoa h PRO 40 Ca 0.17 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 1xoa h PRO 40 Cb 0.35 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.28 1xoa h PRO 40 CO -0.40 0.55 -0.11 0.82 -0.21 0.00 0.00 178.00 178.66 1xoa h ILE 41 N 0.86 0.81 -0.78 4.15 2.04 -1.47 0.36 117.51 123.49 1xoa h ILE 41 Ca 0.48 -0.21 0.07 0.00 1.00 0.00 0.00 64.86 66.20 1xoa h ILE 41 Cb 0.54 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.49 1xoa h ILE 41 CO -0.29 0.05 0.45 -0.07 0.00 0.00 0.00 178.15 178.29 1xoa h LEU 42 N -0.41 0.67 0.30 1.44 3.38 -0.26 0.89 115.31 121.32 1xoa h LEU 42 Ca -0.03 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1xoa h LEU 42 Cb 0.31 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1xoa h LEU 42 CO 0.05 0.41 -0.18 0.44 0.09 0.00 0.00 178.44 179.26 1xoa h ASP 43 N 0.80 -0.43 -0.44 -0.43 3.32 -0.44 0.94 116.42 119.74 1xoa h ASP 43 Ca 0.36 0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.49 1xoa h ASP 43 Cb 0.25 0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.87 1xoa h ASP 43 CO -0.21 -0.29 0.15 -0.08 -1.72 0.00 0.00 179.24 177.10 1xoa h GLU 44 N -0.45 0.30 -0.16 3.56 4.81 -0.39 -0.63 114.58 121.61 1xoa h GLU 44 Ca -0.03 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1xoa h GLU 44 Cb 0.37 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 1xoa h GLU 44 CO 0.04 0.20 -0.07 0.82 -0.73 0.00 0.00 179.01 179.27 1xoa h ILE 45 N 0.31 0.77 -0.89 2.32 1.08 -0.60 0.85 117.51 121.35 1xoa h ILE 45 Ca 0.20 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.80 1xoa h ILE 45 Cb 0.20 0.77 -0.08 0.00 -3.07 0.00 0.00 36.82 34.64 1xoa h ILE 45 CO -0.22 0.00 0.52 0.00 -0.69 0.00 0.00 178.15 177.76 1xoa h ALA 46 N 1.11 1.34 0.02 1.87 0.00 0.03 0.93 119.26 124.55 1xoa h ALA 46 Ca 0.09 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1xoa h ALA 46 Cb 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1xoa h ALA 46 CO -0.19 0.07 -0.01 0.22 0.00 0.00 0.00 179.25 179.34 1xoa h ASP 47 N 0.80 -0.02 -0.13 0.00 3.58 -0.46 -3.20 116.42 116.98 1xoa h ASP 47 Ca 0.46 -0.40 0.02 0.00 0.42 0.00 0.00 57.03 57.52 1xoa h ASP 47 Cb 0.52 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.56 1xoa h ASP 47 CO -0.30 0.39 0.03 -0.33 -2.88 0.00 0.00 179.24 176.15 1xoa h GLU 48 N -0.44 0.08 -1.01 0.28 5.08 -0.20 -2.94 114.58 115.44 1xoa h GLU 48 Ca -0.00 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1xoa h GLU 48 Cb 0.42 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.54 1xoa h GLU 48 CO 0.00 0.06 0.24 0.66 -1.00 0.00 0.00 179.01 178.97 1xoa n TYR 49 N -5.08 1.10 -1.66 4.33 4.02 0.26 -4.95 117.16 115.17 1xoa n TYR 49 Ca -0.04 -0.99 -0.50 0.00 -0.01 0.00 0.00 57.90 56.36 1xoa n TYR 49 Cb 0.06 -0.50 -0.05 0.00 -0.02 0.00 0.00 39.34 38.83 1xoa n TYR 49 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1xoa n GLN 50 N -0.08 1.74 0.00 -0.72 6.02 -1.11 -0.37 117.38 122.86 1xoa n GLN 50 Ca 0.21 0.63 0.00 0.00 -0.01 0.00 0.00 57.00 57.84 1xoa n GLN 50 Cb 0.91 -2.38 0.00 0.00 1.02 0.00 0.00 30.24 29.79 1xoa n GLN 50 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xoa n GLY 51 N 3.69 2.95 0.12 1.08 0.00 -1.26 -4.74 105.19 107.02 1xoa n GLY 51 Ca 0.21 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.99 0.67 -3.80 1.61 5.02 0.49 -5.00 118.16 115.16 1xoa n LYS 52 Ca 0.00 0.10 -0.13 0.00 -2.02 0.00 0.00 58.31 56.26 1xoa n LYS 52 Cb 0.00 -1.53 -0.11 0.00 -0.02 0.00 0.00 35.03 33.37 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 -6.15 1.12 -0.08 -0.35 2.96 0.30 -4.61 118.68 111.88 1xoa s LEU 53 Ca -0.25 0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 54.00 1xoa s LEU 53 Cb 0.08 0.84 -0.03 0.00 0.50 0.00 0.00 46.19 47.58 1xoa s LEU 53 CO 0.69 -0.15 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.65 1xoa s THR 54 N -0.21 4.06 -0.01 3.68 2.01 0.20 -4.54 115.64 120.84 1xoa s THR 54 Ca -0.03 -0.34 0.03 0.00 0.31 0.00 0.00 61.69 61.66 1xoa s THR 54 Cb -0.03 -2.69 -0.03 0.00 0.01 0.00 0.00 72.50 69.76 1xoa s THR 54 CO 0.01 0.60 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.76 1xoa s VAL 55 N -0.83 3.47 0.06 3.82 1.01 -1.26 -0.55 120.40 126.12 1xoa s VAL 55 Ca 0.13 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.36 1xoa s VAL 55 Cb -0.11 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1xoa s VAL 55 CO 0.02 0.44 -0.10 0.00 0.00 0.00 0.00 175.10 175.46 1xoa s ALA 56 N -0.93 0.86 -0.29 5.51 0.00 0.51 -0.86 121.76 126.57 1xoa s ALA 56 Ca 0.15 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 1xoa s ALA 56 Cb -0.11 -0.00 0.09 0.00 0.00 0.00 0.00 23.12 23.10 1xoa s ALA 56 CO 0.05 0.03 0.09 0.15 0.00 0.00 0.00 175.76 176.08 1xoa s LYS 57 N -1.88 0.66 -0.24 0.00 1.02 0.22 -0.48 119.74 119.04 1xoa s LYS 57 Ca -0.04 -0.89 -0.13 0.00 0.02 0.00 0.00 55.97 54.93 1xoa s LYS 57 Cb -0.08 -1.91 -0.05 0.00 -0.52 0.00 0.00 37.83 35.26 1xoa s LYS 57 CO 0.01 -0.92 0.25 -1.17 -0.92 0.00 0.00 175.35 172.60 1xoa s LEU 58 N 1.71 4.09 -0.51 3.17 0.20 0.25 -3.59 118.68 124.01 1xoa s LEU 58 Ca 0.07 0.21 -0.27 0.00 0.69 0.00 0.00 54.13 54.83 1xoa s LEU 58 Cb -0.17 -2.25 0.03 0.00 -0.43 0.00 0.00 46.19 43.37 1xoa s LEU 58 CO -0.23 -0.03 1.06 0.21 -0.29 0.00 0.00 176.35 177.07 1xoa s ASN 59 N 1.28 6.51 0.51 3.68 3.84 -1.26 -0.77 114.94 128.73 1xoa s ASN 59 Ca 0.11 0.16 0.28 0.00 0.21 0.00 0.00 52.86 53.62 1xoa s ASN 59 Cb -0.15 -2.51 1.37 0.00 -0.55 0.00 0.00 41.25 39.42 1xoa s ASN 59 CO 0.07 -1.25 2.02 0.16 -2.79 0.00 0.00 177.10 175.31 1xoa h ILE 60 N 6.14 0.48 -0.33 -5.21 3.07 -1.03 0.58 117.51 121.21 1xoa h ILE 60 Ca -0.24 -0.65 -0.01 0.00 1.55 0.00 0.00 64.86 65.51 1xoa h ILE 60 Cb 1.07 1.44 -0.02 0.00 -0.27 0.00 0.00 36.82 39.04 1xoa h ILE 60 CO 1.11 0.13 0.17 0.44 -1.05 0.00 0.00 178.15 178.94 1xoa h ASP 61 N 0.00 0.43 0.61 2.16 3.32 -1.91 -0.30 116.42 120.73 1xoa h ASP 61 Ca -0.00 -0.12 -0.20 0.00 0.02 0.00 0.00 57.03 56.74 1xoa h ASP 61 Cb 0.43 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1xoa h ASP 61 CO 0.02 0.43 -0.89 1.56 -1.72 0.00 0.00 179.24 178.64 1xoa h GLN 62 N 0.41 0.18 -2.12 3.56 4.20 -1.87 -3.39 115.11 116.07 1xoa h GLN 62 Ca 0.12 -0.20 -0.58 0.00 0.06 0.00 0.00 58.65 58.04 1xoa h GLN 62 Cb 0.10 0.06 -0.41 0.00 0.30 0.00 0.00 27.48 27.53 1xoa h GLN 62 CO -0.02 0.95 -0.81 0.09 -0.67 0.00 0.00 178.83 178.37 1xoa n ASN 63 N -3.64 2.23 0.21 1.46 3.02 0.17 -4.98 115.26 113.73 1xoa n ASN 63 Ca -0.03 -3.12 -0.17 0.00 -0.03 0.00 0.00 54.58 51.22 1xoa n ASN 63 Cb 0.81 -0.66 -0.09 0.00 -0.61 0.00 0.00 39.78 39.23 1xoa n ASN 63 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1xoa h PRO 64 N 4.12 -0.84 -0.96 3.52 0.11 -1.27 -3.16 132.00 133.52 1xoa h PRO 64 Ca 0.15 0.06 0.36 0.00 0.11 0.00 0.00 66.00 66.67 1xoa h PRO 64 Cb 0.76 0.19 -0.17 0.00 0.11 0.00 0.00 31.00 31.88 1xoa h PRO 64 CO 0.68 -0.56 0.35 0.41 -0.21 0.00 0.00 178.00 178.66 1xoa n GLY 65 N -1.52 -0.92 0.30 -0.55 0.00 -1.26 -0.77 105.19 100.47 1xoa n GLY 65 Ca -0.10 0.83 0.13 0.00 0.00 0.00 0.00 46.02 46.88 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 0.76 0.24 2.61 2.02 -1.94 -1.18 112.91 115.43 1xoa h THR 66 Ca 0.74 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.90 1xoa h THR 66 Cb 1.83 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 1xoa h THR 66 CO -0.79 0.00 -0.12 0.00 0.37 0.00 0.00 175.52 174.98 1xoa h ALA 67 N 1.93 -0.59 -1.00 6.16 0.00 -1.13 -3.23 119.26 121.39 1xoa h ALA 67 Ca 0.05 -0.07 0.27 0.00 0.00 0.00 0.00 54.91 55.15 1xoa h ALA 67 Cb 0.21 0.13 -0.13 0.00 0.00 0.00 0.00 17.79 18.00 1xoa h ALA 67 CO -0.00 -0.56 0.57 -1.35 0.00 0.00 0.00 179.25 177.91 1xoa h PRO 68 N -0.57 0.47 -1.01 0.00 0.11 -1.67 -0.02 132.00 129.32 1xoa h PRO 68 Ca -0.03 -0.03 0.24 0.00 0.11 0.00 0.00 66.00 66.29 1xoa h PRO 68 Cb 0.25 -0.11 -0.11 0.00 0.11 0.00 0.00 31.00 31.15 1xoa h PRO 68 CO 0.06 0.31 0.63 0.87 -0.21 0.00 0.00 178.00 179.66 1xoa h LYS 69 N 0.49 0.52 -0.37 1.05 1.57 -1.27 0.11 116.57 118.67 1xoa h LYS 69 Ca 0.67 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 59.28 1xoa h LYS 69 Cb 1.36 -0.12 -0.08 0.00 0.08 0.00 0.00 32.23 33.47 1xoa h LYS 69 CO -0.52 0.34 0.00 0.66 -0.57 0.00 0.00 179.45 179.36 1xoa n TYR 70 N -4.74 1.18 -3.72 -1.35 4.01 -0.18 -4.97 117.16 107.40 1xoa n TYR 70 Ca 0.25 -1.36 -0.28 0.00 -0.16 0.00 0.00 57.90 56.35 1xoa n TYR 70 Cb 0.76 -0.46 -0.00 0.00 -0.31 0.00 0.00 39.34 39.32 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 -0.91 -0.48 3.55 2.72 0.00 0.38 -4.88 105.19 105.57 1xoa n GLY 71 Ca 0.31 0.12 -0.41 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.10 3.68 -0.48 -0.61 1.01 -0.25 -4.85 121.20 116.61 1xoa s ILE 72 Ca 0.55 0.35 0.24 0.00 0.00 0.00 0.00 60.65 61.79 1xoa s ILE 72 Cb -0.29 -4.81 0.33 0.00 0.01 0.00 0.00 42.46 37.70 1xoa s ILE 72 CO 0.68 -1.75 1.64 0.03 0.00 0.00 0.00 174.94 175.54 1xoa h ARG 73 N 10.57 0.00 -3.19 2.79 3.08 -1.89 -3.40 114.38 122.33 1xoa h ARG 73 Ca -0.26 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.77 1xoa h ARG 73 Cb 1.06 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.07 1xoa h ARG 73 CO 1.28 0.00 0.16 0.20 -1.07 0.00 0.00 179.97 180.54 1xoa s GLY 74 N -4.11 0.33 0.05 0.04 0.00 -1.26 -5.17 107.32 97.20 1xoa s GLY 74 Ca 0.07 -0.68 -0.05 0.00 0.00 0.00 0.00 44.72 44.07 1xoa s GLY 74 CO 0.66 -0.34 0.08 -0.26 0.00 0.00 0.00 173.10 173.24 1xoa s ILE 75 N -3.20 0.16 0.38 0.90 -4.36 -1.26 -4.44 121.20 109.37 1xoa s ILE 75 Ca 0.16 -1.32 -0.26 0.00 -0.26 0.00 0.00 60.65 58.96 1xoa s ILE 75 Cb -0.04 -1.17 -0.09 0.00 1.25 0.00 0.00 42.46 42.41 1xoa s ILE 75 CO 0.10 -0.73 1.23 -2.16 0.24 0.00 0.00 174.94 173.62 1xoa s PRO 76 N -3.27 4.14 -0.06 0.37 0.04 -1.26 -4.89 135.00 130.07 1xoa s PRO 76 Ca 0.01 2.01 -0.02 0.00 0.04 0.00 0.00 61.00 63.03 1xoa s PRO 76 Cb 0.03 -2.82 0.04 0.00 0.04 0.00 0.00 34.50 31.78 1xoa s PRO 76 CO -0.08 -0.30 0.13 0.99 0.04 0.00 0.00 177.00 177.78 1xoa s THR 77 N -1.29 -0.10 -0.25 1.26 2.01 -1.22 -0.05 115.64 116.00 1xoa s THR 77 Ca 0.54 0.23 -0.06 0.00 0.31 0.00 0.00 61.69 62.72 1xoa s THR 77 Cb -0.35 -0.23 -0.01 0.00 0.01 0.00 0.00 72.50 71.92 1xoa s THR 77 CO 0.45 0.10 0.03 -0.76 -0.69 0.00 0.00 174.62 173.75 1xoa s LEU 78 N 1.44 3.37 -0.24 4.42 1.43 0.39 -0.68 118.68 128.80 1xoa s LEU 78 Ca -0.06 -0.41 -0.05 0.00 -1.03 0.00 0.00 54.13 52.58 1xoa s LEU 78 Cb -0.12 -1.85 -0.00 0.00 0.03 0.00 0.00 46.19 44.25 1xoa s LEU 78 CO -0.05 -0.07 -0.00 -0.76 0.23 0.00 0.00 176.35 175.69 1xoa s LEU 79 N 1.54 3.22 -0.48 1.79 1.02 0.06 -0.55 118.68 125.28 1xoa s LEU 79 Ca 0.05 -0.49 -0.20 0.00 0.02 0.00 0.00 54.13 53.52 1xoa s LEU 79 Cb -0.15 -1.79 0.04 0.00 0.02 0.00 0.00 46.19 44.31 1xoa s LEU 79 CO 0.01 -0.07 0.62 -0.22 0.02 0.00 0.00 176.35 176.71 1xoa s LEU 80 N 1.49 4.78 -0.21 1.79 2.96 -0.11 -0.34 118.68 129.03 1xoa s LEU 80 Ca 0.05 -0.69 -0.09 0.00 -0.22 0.00 0.00 54.13 53.18 1xoa s LEU 80 Cb -0.15 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.95 1xoa s LEU 80 CO -0.01 -0.84 0.11 -0.36 -1.32 0.00 0.00 176.35 173.93 1xoa s PHE 81 N 2.69 3.27 -0.41 5.38 0.40 0.34 -0.13 117.98 129.52 1xoa s PHE 81 Ca 0.18 0.10 -0.06 0.00 -0.60 0.00 0.00 56.93 56.55 1xoa s PHE 81 Cb -0.17 -2.18 0.10 0.00 0.51 0.00 0.00 43.02 41.28 1xoa s PHE 81 CO 0.15 0.08 0.23 0.15 0.70 0.00 0.00 175.22 176.52 1xoa s LYS 82 N 0.77 2.28 -1.28 0.44 1.02 0.17 -0.65 119.74 122.49 1xoa s LYS 82 Ca 0.06 -1.68 -0.24 0.00 0.02 0.00 0.00 55.97 54.13 1xoa s LYS 82 Cb -0.13 -3.66 0.03 0.00 -0.52 0.00 0.00 37.83 33.54 1xoa s LYS 82 CO 0.02 -1.03 0.56 -1.71 -0.92 0.00 0.00 175.35 172.27 1xoa n ASN 83 N 4.74 -3.14 0.00 2.83 5.15 0.11 -0.39 115.26 124.56 1xoa n ASN 83 Ca -0.06 -1.23 0.00 0.00 -0.60 0.00 0.00 54.58 52.69 1xoa n ASN 83 Cb 0.42 -2.03 0.00 0.00 -0.53 0.00 0.00 39.78 37.64 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 -2.11 2.86 3.59 8.20 0.00 -0.82 -4.77 105.19 112.15 1xoa n GLY 84 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.06 3.66 -0.25 1.61 2.02 0.47 -4.96 118.70 121.19 1xoa s GLU 85 Ca 0.00 0.49 -0.29 0.00 0.02 0.00 0.00 54.97 55.20 1xoa s GLU 85 Cb 0.00 -3.94 -0.03 0.00 0.10 0.00 0.00 34.13 30.25 1xoa s GLU 85 CO 0.00 -1.48 1.88 0.08 0.02 0.00 0.00 175.26 175.76 1xoa s VAL 86 N 4.66 3.36 -0.03 2.63 1.01 -1.26 -0.65 120.40 130.11 1xoa s VAL 86 Ca 0.47 0.39 -0.21 0.00 0.00 0.00 0.00 61.98 62.63 1xoa s VAL 86 Cb -0.07 -3.44 -0.30 0.00 0.00 0.00 0.00 36.38 32.57 1xoa s VAL 86 CO 0.30 -0.25 0.95 0.00 0.00 0.00 0.00 175.10 176.10 1xoa h ALA 87 N 12.82 -0.05 -2.89 5.51 0.00 -0.90 -3.48 119.26 130.26 1xoa h ALA 87 Ca -0.37 -0.67 0.01 0.00 0.00 0.00 0.00 54.91 53.89 1xoa h ALA 87 Cb 1.19 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.95 1xoa h ALA 87 CO 1.00 0.37 0.26 0.00 0.00 0.00 0.00 179.25 180.88 1xoa s ALA 88 N -2.62 -1.59 -0.03 0.00 0.00 -1.23 -5.04 121.76 111.25 1xoa s ALA 88 Ca -0.13 0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.30 1xoa s ALA 88 Cb 0.02 0.82 0.02 0.00 0.00 0.00 0.00 23.12 23.97 1xoa s ALA 88 CO 0.83 -0.79 -0.04 0.95 0.00 0.00 0.00 175.76 176.70 1xoa s THR 89 N -3.67 0.46 -0.19 0.00 -4.23 -1.26 -0.93 115.64 105.81 1xoa s THR 89 Ca 0.03 -0.12 0.01 0.00 -1.18 0.00 0.00 61.69 60.43 1xoa s THR 89 Cb -0.02 -0.47 0.03 0.00 1.34 0.00 0.00 72.50 73.38 1xoa s THR 89 CO -0.10 0.19 -0.18 -0.75 -0.54 0.00 0.00 174.62 173.24 1xoa s LYS 90 N 0.66 2.76 -0.10 3.99 2.36 0.29 -4.99 119.74 124.71 1xoa s LYS 90 Ca -0.08 -0.90 -0.16 0.00 -2.55 0.00 0.00 55.97 52.28 1xoa s LYS 90 Cb -0.11 -2.58 -0.05 0.00 -1.05 0.00 0.00 37.83 34.03 1xoa s LYS 90 CO -0.00 -0.29 0.40 0.08 1.55 0.00 0.00 175.35 177.09 1xoa s VAL 91 N 1.28 5.19 0.00 4.02 1.01 -1.26 -0.46 120.40 130.18 1xoa s VAL 91 Ca 0.02 0.78 0.00 0.00 0.00 0.00 0.00 61.98 62.79 1xoa s VAL 91 Cb -0.14 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1xoa s VAL 91 CO -0.11 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1xoa n GLY 92 N 2.91 -0.64 3.68 4.51 0.00 0.92 -4.99 105.19 111.59 1xoa n GLY 92 Ca -0.11 -1.66 -0.29 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.64 1.08 0.21 4.61 0.00 -1.26 -4.76 121.76 119.01 1xoa s ALA 93 Ca 0.00 -0.25 -0.23 0.00 0.00 0.00 0.00 51.96 51.49 1xoa s ALA 93 Cb 0.00 -3.15 0.05 0.00 0.00 0.00 0.00 23.12 20.02 1xoa s ALA 93 CO 0.00 -2.73 0.74 -0.48 0.00 0.00 0.00 175.76 173.29 1xoa s LEU 94 N -6.42 -0.34 0.60 0.00 2.34 -1.26 -5.14 118.68 108.47 1xoa s LEU 94 Ca 0.65 -0.37 -0.09 0.00 0.06 0.00 0.00 54.13 54.37 1xoa s LEU 94 Cb -0.19 2.56 -0.02 0.00 -0.56 0.00 0.00 46.19 47.98 1xoa s LEU 94 CO 0.58 -1.13 0.97 -0.94 -1.06 0.00 0.00 176.35 174.77 1xoa s SER 95 N -2.85 6.00 0.18 1.48 1.04 -1.26 -4.87 113.70 113.43 1xoa s SER 95 Ca 0.08 1.16 -0.18 0.00 0.48 0.00 0.00 55.95 57.49 1xoa s SER 95 Cb -0.04 -2.22 0.13 0.00 0.10 0.00 0.00 66.02 64.00 1xoa s SER 95 CO -0.00 -0.92 1.62 0.50 0.98 0.00 0.00 173.24 175.42 1xoa h LYS 96 N -0.25 -0.11 0.01 4.02 1.63 -1.98 0.03 116.57 119.91 1xoa h LYS 96 Ca -0.45 0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.39 1xoa h LYS 96 Cb 1.21 0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 32.82 1xoa h LYS 96 CO 0.62 -0.07 -0.29 0.78 -3.45 0.00 0.00 179.45 177.04 1xoa h GLY 97 N -0.11 -0.47 0.53 5.01 0.00 -1.99 0.13 103.07 106.16 1xoa h GLY 97 Ca 0.22 0.35 0.07 0.00 0.00 0.00 0.00 47.33 47.97 1xoa h GLY 97 CO -0.55 -0.22 0.19 1.46 0.00 0.00 0.00 176.54 177.42 1xoa h GLN 98 N -0.44 0.37 -0.16 4.80 4.20 -1.77 0.08 115.11 122.17 1xoa h GLN 98 Ca 0.06 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1xoa h GLN 98 Cb 0.53 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1xoa h GLN 98 CO -0.24 0.24 0.11 1.25 -0.67 0.00 0.00 178.83 179.52 1xoa h LEU 99 N 0.38 0.19 -0.19 1.46 5.85 -0.46 0.54 115.31 123.07 1xoa h LEU 99 Ca 0.25 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.00 1xoa h LEU 99 Cb 0.26 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1xoa h LEU 99 CO -0.24 0.14 -0.06 0.11 -0.34 0.00 0.00 178.44 178.05 1xoa h LYS 100 N 0.22 -0.01 -0.08 1.25 1.57 -0.17 0.20 116.57 119.54 1xoa h LYS 100 Ca 0.06 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1xoa h LYS 100 Cb -0.02 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1xoa h LYS 100 CO -0.01 -0.01 -0.07 0.93 -0.57 0.00 0.00 179.45 179.71 1xoa h GLU 101 N -0.01 -0.09 -0.08 3.15 4.39 -0.69 0.11 114.58 121.37 1xoa h GLU 101 Ca 0.10 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.84 1xoa h GLU 101 Cb 0.16 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.78 1xoa h GLU 101 CO -0.21 -0.06 -0.25 0.35 -1.16 0.00 0.00 179.01 177.68 1xoa h PHE 102 N -0.09 -0.67 0.42 4.33 3.57 -0.53 0.10 116.94 124.06 1xoa h PHE 102 Ca 0.06 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1xoa h PHE 102 Cb 0.18 0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.22 1xoa h PHE 102 CO -0.18 -0.34 -0.25 -0.07 -2.23 0.00 0.00 178.31 175.24 1xoa h LEU 103 N -0.35 -0.63 -0.28 0.59 3.38 -0.70 -1.54 115.31 115.78 1xoa h LEU 103 Ca 0.08 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.16 1xoa h LEU 103 Cb 0.47 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 1xoa h LEU 103 CO -0.27 -0.40 -0.17 -0.78 0.09 0.00 0.00 178.44 176.90 1xoa h ASP 104 N -0.64 -0.57 -0.89 -0.43 3.58 -0.59 0.14 116.42 117.02 1xoa h ASP 104 Ca -0.05 0.12 0.10 0.00 0.42 0.00 0.00 57.03 57.63 1xoa h ASP 104 Cb 0.52 0.30 -0.07 0.00 1.72 0.00 0.00 39.33 41.80 1xoa h ASP 104 CO 0.05 -0.21 0.58 0.00 -2.88 0.00 0.00 179.24 176.78 1xoa h ALA 105 N 1.04 1.65 0.02 -0.78 0.00 -0.65 0.11 119.26 120.65 1xoa h ALA 105 Ca 0.15 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1xoa h ALA 105 Cb 0.37 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xoa h ALA 105 CO -0.37 0.15 -0.17 -0.91 0.00 0.00 0.00 179.25 177.95 1xoa h ASN 106 N 0.86 0.12 -0.56 0.00 2.35 -0.26 -3.32 115.58 114.78 1xoa h ASN 106 Ca 0.42 -0.89 0.03 0.00 -0.55 0.00 0.00 56.30 55.30 1xoa h ASN 106 Cb 0.45 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.74 1xoa h ASN 106 CO -0.18 1.00 0.34 -0.07 -1.65 0.00 0.00 177.43 176.87 1xoa h LEU 107 N -0.74 0.54 0.00 1.61 3.38 -0.53 -3.52 115.31 116.05 1xoa h LEU 107 Ca -0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1xoa h LEU 107 Cb 1.05 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1xoa h LEU 107 CO 0.03 0.38 0.00 0.00 0.09 0.00 0.00 178.44 178.94