#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xoa s ASP 2 N 0.00 5.62 -0.23 6.43 -1.08 -1.26 -3.76 116.67 122.39 1xoa s ASP 2 Ca 0.00 0.75 0.10 0.00 -0.52 0.00 0.00 52.55 52.88 1xoa s ASP 2 Cb 0.00 -2.53 0.44 0.00 -1.46 0.00 0.00 42.92 39.37 1xoa s ASP 2 CO 0.00 -2.02 1.20 0.29 0.52 0.00 0.00 175.17 175.16 1xoa n LYS 3 N 8.78 2.31 -3.08 4.34 5.02 -1.26 -5.06 118.16 129.20 1xoa n LYS 3 Ca 0.21 -3.59 -0.39 0.00 -2.02 0.00 0.00 58.31 52.51 1xoa n LYS 3 Cb 0.50 -1.81 -0.05 0.00 -0.02 0.00 0.00 35.03 33.64 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 -3.65 4.73 -0.33 -0.18 1.01 -1.26 -4.49 121.20 117.04 1xoa s ILE 4 Ca 0.43 1.47 -0.19 0.00 0.00 0.00 0.00 60.65 62.36 1xoa s ILE 4 Cb 0.38 -4.04 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 1xoa s ILE 4 CO -0.03 0.43 0.57 -0.63 0.00 0.00 0.00 174.94 175.28 1xoa s ILE 5 N -0.38 4.97 -0.68 2.92 -1.09 -0.09 -4.90 121.20 121.95 1xoa s ILE 5 Ca 0.35 0.61 -0.24 0.00 -2.23 0.00 0.00 60.65 59.14 1xoa s ILE 5 Cb -0.20 -3.98 0.06 0.00 -1.58 0.00 0.00 42.46 36.76 1xoa s ILE 5 CO 0.21 -0.18 1.04 -1.00 -1.23 0.00 0.00 174.94 173.78 1xoa s HIS 6 N 2.52 2.59 0.63 3.97 3.76 -1.26 -0.40 115.29 127.10 1xoa s HIS 6 Ca 0.22 -0.44 -0.07 0.00 -0.15 0.00 0.00 55.06 54.62 1xoa s HIS 6 Cb -0.15 -4.37 0.02 0.00 1.11 0.00 0.00 32.58 29.19 1xoa s HIS 6 CO 0.13 -1.75 0.96 -0.51 -0.85 0.00 0.00 174.74 172.72 1xoa s LEU 7 N 4.43 3.08 0.20 0.89 1.43 -0.01 -4.98 118.68 123.73 1xoa s LEU 7 Ca 0.25 0.70 0.04 0.00 -1.03 0.00 0.00 54.13 54.09 1xoa s LEU 7 Cb -0.15 -3.48 -0.05 0.00 0.03 0.00 0.00 46.19 42.55 1xoa s LEU 7 CO 0.11 -1.24 -0.04 0.42 0.23 0.00 0.00 176.35 175.83 1xoa s THR 8 N -3.10 1.11 0.15 5.49 -4.23 -1.26 -4.54 115.64 109.26 1xoa s THR 8 Ca 0.56 -2.05 -0.18 0.00 -1.18 0.00 0.00 61.69 58.84 1xoa s THR 8 Cb -0.11 -2.16 0.04 0.00 1.34 0.00 0.00 72.50 71.62 1xoa s THR 8 CO 0.46 -0.49 1.69 -0.78 -0.54 0.00 0.00 174.62 174.96 1xoa h ASP 9 N 2.58 -0.25 -0.39 3.99 3.58 -1.94 0.11 116.42 124.11 1xoa h ASP 9 Ca -0.38 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.17 1xoa h ASP 9 Cb 1.21 0.18 -0.02 0.00 1.72 0.00 0.00 39.33 42.42 1xoa h ASP 9 CO 0.64 -0.09 0.25 0.44 -2.88 0.00 0.00 179.24 177.61 1xoa h ASP 10 N 0.02 0.44 1.41 2.28 5.19 -2.01 -3.04 116.42 120.71 1xoa h ASP 10 Ca 0.15 -0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 56.46 1xoa h ASP 10 Cb 0.23 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.62 1xoa h ASP 10 CO -0.31 0.32 -0.44 0.77 -3.12 0.00 0.00 179.24 176.46 1xoa h SER 11 N 0.52 0.00 -0.63 6.45 4.64 -1.86 -3.38 113.55 119.29 1xoa h SER 11 Ca 0.14 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.52 1xoa h SER 11 Cb -0.06 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 61.96 1xoa h SER 11 CO -0.03 0.44 -0.37 0.33 -0.87 0.00 0.00 176.83 176.32 1xoa n PHE 12 N -3.26 -0.28 0.21 4.77 -0.00 0.34 -0.64 117.46 118.61 1xoa n PHE 12 Ca 0.02 0.79 -0.17 0.00 -0.00 0.00 0.00 57.45 58.09 1xoa n PHE 12 Cb 0.68 -0.53 -0.09 0.00 -0.00 0.00 0.00 39.48 39.53 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 -1.40 -0.89 -2.13 5.19 -1.76 0.37 116.42 115.80 1xoa h ASP 13 Ca 0.10 0.13 0.09 0.00 -0.62 0.00 0.00 57.03 56.73 1xoa h ASP 13 Cb 0.26 0.49 -0.06 0.00 0.18 0.00 0.00 39.33 40.19 1xoa h ASP 13 CO -0.60 -0.60 0.58 0.71 -3.12 0.00 0.00 179.24 176.21 1xoa h THR 14 N -0.87 0.99 0.00 0.35 1.35 -1.63 -0.96 112.91 112.13 1xoa h THR 14 Ca -0.03 -0.31 -0.01 0.00 -0.55 0.00 0.00 66.41 65.51 1xoa h THR 14 Cb 0.81 -0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.22 1xoa h THR 14 CO -0.15 0.17 -0.12 0.44 -0.25 0.00 0.00 175.52 175.60 1xoa h ASP 15 N 0.91 0.00 0.00 5.36 3.32 -0.48 -3.36 116.42 122.17 1xoa h ASP 15 Ca 0.40 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 1xoa h ASP 15 Cb 0.36 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 1xoa h ASP 15 CO -0.17 0.66 -0.03 0.58 -1.72 0.00 0.00 179.24 178.56 1xoa h VAL 16 N -1.00 0.83 0.00 -1.35 2.07 -0.32 -3.21 116.25 113.27 1xoa h VAL 16 Ca -0.01 -1.63 -0.05 0.00 0.82 0.00 0.00 66.70 65.83 1xoa h VAL 16 Cb 0.29 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1xoa h VAL 16 CO -0.01 0.28 -0.22 -0.07 0.02 0.00 0.00 177.57 177.57 1xoa h LEU 17 N -1.00 0.00 -1.17 2.57 3.38 -1.17 0.18 115.31 118.10 1xoa h LEU 17 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1xoa h LEU 17 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1xoa h LEU 17 CO -0.00 0.22 0.00 0.29 0.09 0.00 0.00 178.44 179.04 1xoa n LYS 18 N -4.08 1.74 -2.13 1.13 5.02 -1.11 -4.07 118.16 114.66 1xoa n LYS 18 Ca -0.02 -1.14 -0.30 0.00 -2.02 0.00 0.00 58.31 54.83 1xoa n LYS 18 Cb 0.29 -1.29 -0.05 0.00 -0.02 0.00 0.00 35.03 33.96 1xoa n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xoa s ALA 19 N -1.62 1.97 -0.85 7.82 0.00 0.05 -4.84 121.76 124.29 1xoa s ALA 19 Ca 0.24 -2.16 -0.21 0.00 0.00 0.00 0.00 51.96 49.83 1xoa s ALA 19 Cb 0.13 -4.66 -0.14 0.00 0.00 0.00 0.00 23.12 18.46 1xoa s ALA 19 CO 0.18 -4.94 1.96 -3.47 0.00 0.00 0.00 175.76 169.49 1xoa n ASP 20 N 13.57 2.68 0.00 0.00 2.03 -1.26 -2.63 116.55 130.94 1xoa n ASP 20 Ca 0.44 -2.70 0.00 0.00 0.52 0.00 0.00 54.79 53.06 1xoa n ASP 20 Cb 0.47 -1.18 0.00 0.00 -0.72 0.00 0.00 41.12 39.68 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 4.50 -0.69 2.78 0.27 0.00 -1.26 -4.95 105.19 105.84 1xoa n GLY 21 Ca 0.50 0.06 -0.26 0.00 0.00 0.00 0.00 46.02 46.31 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 1.01 -0.15 4.61 0.00 -1.26 -0.68 121.76 124.28 1xoa s ALA 22 Ca 0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 1xoa s ALA 22 Cb 0.00 -1.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.09 1xoa s ALA 22 CO 0.00 -0.84 -0.10 0.42 0.00 0.00 0.00 175.76 175.24 1xoa s ILE 23 N 1.85 3.24 -0.46 0.00 1.01 0.08 -0.61 121.20 126.31 1xoa s ILE 23 Ca 0.02 -0.58 -0.10 0.00 0.00 0.00 0.00 60.65 59.99 1xoa s ILE 23 Cb -0.15 -2.40 0.10 0.00 0.01 0.00 0.00 42.46 40.03 1xoa s ILE 23 CO -0.07 0.50 0.32 -0.22 0.00 0.00 0.00 174.94 175.47 1xoa s LEU 24 N 0.57 5.53 -0.40 2.97 1.98 -0.06 -0.07 118.68 129.19 1xoa s LEU 24 Ca -0.06 -1.75 -0.22 0.00 -2.89 0.00 0.00 54.13 49.21 1xoa s LEU 24 Cb -0.15 -2.02 0.02 0.00 0.66 0.00 0.00 46.19 44.70 1xoa s LEU 24 CO 0.03 -0.64 0.70 -0.69 -1.89 0.00 0.00 176.35 173.86 1xoa s VAL 25 N 1.40 4.78 -0.51 1.68 1.01 0.33 -0.10 120.40 129.00 1xoa s VAL 25 Ca 0.05 0.47 -0.20 0.00 0.00 0.00 0.00 61.98 62.29 1xoa s VAL 25 Cb -0.25 -4.20 0.05 0.00 0.00 0.00 0.00 36.38 31.98 1xoa s VAL 25 CO 0.01 -0.52 0.69 -0.62 0.00 0.00 0.00 175.10 174.66 1xoa s ASP 26 N 1.95 6.26 -0.19 3.32 2.15 0.36 -0.78 116.67 129.75 1xoa s ASP 26 Ca 0.27 -0.71 -0.29 0.00 0.43 0.00 0.00 52.55 52.24 1xoa s ASP 26 Cb -0.13 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1xoa s ASP 26 CO 0.18 -0.95 1.04 -0.36 -0.17 0.00 0.00 175.17 174.92 1xoa s PHE 27 N 2.93 3.36 0.29 -5.34 0.40 0.15 -1.52 117.98 118.26 1xoa s PHE 27 Ca 0.19 1.48 0.06 0.00 -0.60 0.00 0.00 56.93 58.07 1xoa s PHE 27 Cb -0.17 -3.26 -0.02 0.00 0.51 0.00 0.00 43.02 40.07 1xoa s PHE 27 CO 0.14 -0.48 0.23 -2.67 0.70 0.00 0.00 175.22 173.15 1xoa n TRP 28 N 5.96 -0.62 -3.76 0.36 4.27 -0.10 -2.83 117.44 120.71 1xoa n TRP 28 Ca 0.11 -2.41 -0.13 0.00 -3.89 0.00 0.00 57.50 51.18 1xoa n TRP 28 Cb 0.47 0.23 -0.08 0.00 -1.36 0.00 0.00 31.31 30.57 1xoa n TRP 28 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1xoa s ALA 29 N -3.15 -0.75 0.30 -1.67 0.00 -1.26 -0.53 121.76 114.69 1xoa s ALA 29 Ca 0.33 0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.54 1xoa s ALA 29 Cb 0.02 0.17 0.65 0.00 0.00 0.00 0.00 23.12 23.95 1xoa s ALA 29 CO 0.23 -0.32 1.83 0.93 0.00 0.00 0.00 175.76 178.43 1xoa h GLU 30 N 3.61 0.86 -0.00 0.00 5.08 -1.98 0.61 114.58 122.76 1xoa h GLU 30 Ca -0.30 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1xoa h GLU 30 Cb 1.18 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1xoa h GLU 30 CO 0.42 0.57 -0.07 -2.67 -1.00 0.00 0.00 179.01 176.27 1xoa n TRP 31 N -4.64 0.00 -2.55 4.33 4.27 -1.26 -4.67 117.44 112.92 1xoa n TRP 31 Ca 0.20 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.39 1xoa n TRP 31 Cb 0.43 -0.28 -0.01 0.00 -1.36 0.00 0.00 31.31 30.10 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 12.87 -0.65 0.51 0.00 0.00 -1.84 0.26 103.07 114.23 1xoa h GLY 33 Ca 0.42 0.71 0.13 0.00 0.00 0.00 0.00 47.33 48.59 1xoa h GLY 33 CO 1.45 -0.05 0.60 -2.55 0.00 0.00 0.00 176.54 175.99 1xoa h PRO 34 N -0.08 0.83 -0.20 4.80 0.11 -1.95 0.16 132.00 135.66 1xoa h PRO 34 Ca 0.18 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 1xoa h PRO 34 Cb 0.49 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 1xoa h PRO 34 CO -0.87 0.55 0.09 0.00 -0.21 0.00 0.00 178.00 177.57 1xoa h LYS 36 N 0.19 0.70 -0.91 0.00 1.57 -0.41 -2.15 116.57 115.56 1xoa h LYS 36 Ca 0.07 -0.09 0.16 0.00 -1.87 0.00 0.00 60.65 58.92 1xoa h LYS 36 Cb 0.13 -0.13 -0.10 0.00 0.08 0.00 0.00 32.23 32.21 1xoa h LYS 36 CO -0.01 0.56 0.51 1.98 -0.57 0.00 0.00 179.45 181.92 1xoa h MET 37 N 0.66 0.68 -0.00 3.15 4.05 -0.25 0.75 114.93 123.96 1xoa h MET 37 Ca 0.17 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.55 1xoa h MET 37 Cb 0.07 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 30.72 1xoa h MET 37 CO -0.03 0.45 -0.15 0.44 0.23 0.00 0.00 176.91 177.85 1xoa n ILE 38 N -4.82 0.00 -0.11 1.77 -5.35 -0.52 -4.31 119.36 106.01 1xoa n ILE 38 Ca 0.19 -0.01 -0.05 0.00 -0.27 0.00 0.00 62.75 62.61 1xoa n ILE 38 Cb 0.47 -0.23 0.01 0.00 -1.74 0.00 0.00 39.64 38.15 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 3.14 0.18 -0.88 -1.28 0.00 -0.19 0.56 119.26 120.79 1xoa h ALA 39 Ca 0.00 0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.18 1xoa h ALA 39 Cb 0.46 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 18.53 1xoa h ALA 39 CO 0.00 -0.50 0.50 -1.35 0.00 0.00 0.00 179.25 177.90 1xoa h PRO 40 N -0.06 0.74 0.11 0.00 0.11 -1.75 0.13 132.00 131.28 1xoa h PRO 40 Ca 0.19 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 1xoa h PRO 40 Cb 0.34 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.29 1xoa h PRO 40 CO -0.42 0.49 -0.05 0.82 -0.21 0.00 0.00 178.00 178.63 1xoa h ILE 41 N 0.77 0.95 -0.72 4.15 2.04 -1.44 0.47 117.51 123.73 1xoa h ILE 41 Ca 0.45 -0.22 0.09 0.00 1.00 0.00 0.00 64.86 66.19 1xoa h ILE 41 Cb 0.53 1.09 -0.07 0.00 -0.74 0.00 0.00 36.82 37.64 1xoa h ILE 41 CO -0.30 0.05 0.37 -0.07 0.00 0.00 0.00 178.15 178.20 1xoa h LEU 42 N -0.24 0.49 0.31 1.44 3.38 0.12 0.17 115.31 120.97 1xoa h LEU 42 Ca -0.01 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1xoa h LEU 42 Cb 0.20 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1xoa h LEU 42 CO 0.02 0.28 -0.15 0.44 0.09 0.00 0.00 178.44 179.13 1xoa h ASP 43 N 0.63 -0.35 -0.49 -0.43 3.32 -0.47 0.15 116.42 118.77 1xoa h ASP 43 Ca 0.35 -0.02 0.08 0.00 0.02 0.00 0.00 57.03 57.45 1xoa h ASP 43 Cb 0.36 0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.93 1xoa h ASP 43 CO -0.26 -0.21 0.14 -0.08 -1.72 0.00 0.00 179.24 177.11 1xoa h GLU 44 N -0.46 0.29 -0.32 3.56 4.81 -0.37 -0.75 114.58 121.34 1xoa h GLU 44 Ca -0.04 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1xoa h GLU 44 Cb 0.35 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1xoa h GLU 44 CO 0.07 0.19 0.18 0.82 -0.73 0.00 0.00 179.01 179.54 1xoa h ILE 45 N 0.29 1.03 -0.84 2.32 1.08 -0.52 0.10 117.51 120.97 1xoa h ILE 45 Ca 0.24 -0.13 0.13 0.00 -0.39 0.00 0.00 64.86 64.71 1xoa h ILE 45 Cb 0.29 0.63 -0.09 0.00 -3.07 0.00 0.00 36.82 34.58 1xoa h ILE 45 CO -0.28 0.07 0.45 0.00 -0.69 0.00 0.00 178.15 177.70 1xoa h ALA 46 N 1.14 1.25 0.43 1.87 0.00 0.37 0.14 119.26 124.46 1xoa h ALA 46 Ca 0.13 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1xoa h ALA 46 Cb 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1xoa h ALA 46 CO -0.06 -0.01 -0.21 0.22 0.00 0.00 0.00 179.25 179.19 1xoa h ASP 47 N 0.69 -0.49 -0.72 0.00 1.82 -0.51 -1.85 116.42 115.36 1xoa h ASP 47 Ca 0.44 -0.11 0.14 0.00 -0.39 0.00 0.00 57.03 57.12 1xoa h ASP 47 Cb 0.54 0.13 -0.10 0.00 0.68 0.00 0.00 39.33 40.58 1xoa h ASP 47 CO -0.32 -0.10 0.23 -0.33 -1.61 0.00 0.00 179.24 177.11 1xoa h GLU 48 N -0.94 0.34 -0.69 0.28 5.08 -0.27 -0.96 114.58 117.42 1xoa h GLU 48 Ca -0.06 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1xoa h GLU 48 Cb 0.56 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 1xoa h GLU 48 CO 0.10 0.22 0.08 0.66 -1.00 0.00 0.00 179.01 179.07 1xoa n TYR 49 N -5.08 1.94 -1.66 4.33 4.02 0.43 -5.00 117.16 116.15 1xoa n TYR 49 Ca 0.13 -0.77 -0.48 0.00 -0.01 0.00 0.00 57.90 56.78 1xoa n TYR 49 Cb 0.42 -0.52 -0.05 0.00 -0.02 0.00 0.00 39.34 39.18 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 0.35 1.96 0.00 -0.72 10.64 -0.37 -0.42 117.38 128.81 1xoa n GLN 50 Ca 0.28 0.71 0.00 0.00 -1.83 0.00 0.00 57.00 56.16 1xoa n GLN 50 Cb 1.14 -2.46 0.00 0.00 -0.86 0.00 0.00 30.24 28.06 1xoa n GLN 50 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1xoa n GLY 51 N 3.38 3.10 0.13 2.61 0.00 -1.26 -4.75 105.19 108.40 1xoa n GLY 51 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.00 0.63 -4.34 1.61 5.02 0.44 -4.97 118.16 114.55 1xoa n LYS 52 Ca 0.00 0.21 -0.20 0.00 -2.02 0.00 0.00 58.31 56.30 1xoa n LYS 52 Cb 0.00 -1.53 -0.16 0.00 -0.02 0.00 0.00 35.03 33.33 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 -6.98 1.67 -0.45 -0.35 2.96 0.11 -4.47 118.68 111.16 1xoa s LEU 53 Ca -0.36 -0.18 -0.14 0.00 -0.22 0.00 0.00 54.13 53.24 1xoa s LEU 53 Cb 0.11 -0.53 0.07 0.00 0.50 0.00 0.00 46.19 46.34 1xoa s LEU 53 CO 0.57 0.03 0.35 -0.89 -1.32 0.00 0.00 176.35 175.09 1xoa s THR 54 N 0.40 5.02 0.23 3.68 2.01 0.22 -4.47 115.64 122.74 1xoa s THR 54 Ca -0.06 -1.08 -0.30 0.00 0.31 0.00 0.00 61.69 60.55 1xoa s THR 54 Cb -0.10 -3.99 -0.09 0.00 0.01 0.00 0.00 72.50 68.33 1xoa s THR 54 CO 0.01 -0.53 0.97 -0.69 -0.69 0.00 0.00 174.62 173.69 1xoa s VAL 55 N 1.60 4.01 0.06 3.82 1.01 -1.26 -0.88 120.40 128.75 1xoa s VAL 55 Ca 0.04 1.99 0.01 0.00 0.00 0.00 0.00 61.98 64.02 1xoa s VAL 55 Cb -0.23 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.85 1xoa s VAL 55 CO 0.06 0.46 -0.06 0.00 0.00 0.00 0.00 175.10 175.56 1xoa s ALA 56 N -1.07 0.65 0.05 5.51 0.00 0.86 -0.92 121.76 126.84 1xoa s ALA 56 Ca 0.42 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 51.41 1xoa s ALA 56 Cb -0.27 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 1xoa s ALA 56 CO 0.33 -0.16 -0.12 0.15 0.00 0.00 0.00 175.76 175.96 1xoa s LYS 57 N -2.68 0.77 -0.05 0.00 1.02 0.47 -0.48 119.74 118.79 1xoa s LYS 57 Ca -0.01 -0.78 -0.02 0.00 0.02 0.00 0.00 55.97 55.19 1xoa s LYS 57 Cb -0.02 -0.73 0.03 0.00 -0.52 0.00 0.00 37.83 36.59 1xoa s LYS 57 CO -0.03 0.17 0.04 -1.17 -0.92 0.00 0.00 175.35 173.44 1xoa s LEU 58 N -1.35 0.28 -0.52 3.17 0.20 -0.57 -0.83 118.68 119.07 1xoa s LEU 58 Ca -0.02 0.04 -0.25 0.00 0.69 0.00 0.00 54.13 54.59 1xoa s LEU 58 Cb -0.09 -0.21 0.03 0.00 -0.43 0.00 0.00 46.19 45.50 1xoa s LEU 58 CO 0.01 -0.23 0.96 0.21 -0.29 0.00 0.00 176.35 177.01 1xoa s ASN 59 N 2.09 6.41 0.54 3.68 2.47 -1.26 -0.92 114.94 127.95 1xoa s ASN 59 Ca 0.05 -0.12 0.29 0.00 0.42 0.00 0.00 52.86 53.49 1xoa s ASN 59 Cb -0.12 -2.45 1.56 0.00 -1.45 0.00 0.00 41.25 38.79 1xoa s ASN 59 CO -0.04 -1.18 2.11 0.16 -3.72 0.00 0.00 177.10 174.44 1xoa h ILE 60 N 6.06 0.48 -0.31 -5.21 -0.00 -1.02 0.26 117.51 117.78 1xoa h ILE 60 Ca -0.25 -0.43 -0.01 0.00 -0.00 0.00 0.00 64.86 64.17 1xoa h ILE 60 Cb 1.07 1.29 -0.01 0.00 -0.00 0.00 0.00 36.82 39.17 1xoa h ILE 60 CO 1.07 0.09 0.16 0.44 -0.00 0.00 0.00 178.15 179.92 1xoa h ASP 61 N 0.00 0.39 0.37 2.16 3.32 -1.91 -1.06 116.42 119.68 1xoa h ASP 61 Ca -0.00 -0.10 -0.22 0.00 0.02 0.00 0.00 57.03 56.73 1xoa h ASP 61 Cb 0.28 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1xoa h ASP 61 CO 0.01 0.37 -0.94 1.56 -1.72 0.00 0.00 179.24 178.52 1xoa h GLN 62 N 0.38 0.38 -2.22 3.56 4.20 -1.85 -3.38 115.11 116.18 1xoa h GLN 62 Ca 0.11 -0.42 -0.61 0.00 0.06 0.00 0.00 58.65 57.79 1xoa h GLN 62 Cb 0.07 0.12 -0.42 0.00 0.30 0.00 0.00 27.48 27.56 1xoa h GLN 62 CO -0.02 1.09 -0.55 0.09 -0.67 0.00 0.00 178.83 178.78 1xoa n ASN 63 N -3.73 3.85 0.24 1.46 3.02 0.04 -4.96 115.26 115.18 1xoa n ASN 63 Ca -0.06 -3.45 -0.15 0.00 -0.03 0.00 0.00 54.58 50.89 1xoa n ASN 63 Cb 0.84 -0.69 -0.08 0.00 -0.61 0.00 0.00 39.78 39.24 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 4.22 -0.54 -0.99 3.52 0.13 -1.40 -3.21 132.00 133.74 1xoa h PRO 64 Ca 0.20 0.04 0.35 0.00 -0.87 0.00 0.00 66.00 65.71 1xoa h PRO 64 Cb 0.66 0.12 -0.17 0.00 0.13 0.00 0.00 31.00 31.75 1xoa h PRO 64 CO 0.85 -0.33 0.44 0.78 -0.23 0.00 0.00 178.00 179.52 1xoa h GLY 65 N -0.62 1.97 1.78 1.56 0.00 -1.93 0.97 103.07 106.81 1xoa h GLY 65 Ca -0.06 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 1xoa h GLY 65 CO 0.09 -0.62 0.12 -0.84 0.00 0.00 0.00 176.54 175.30 1xoa h THR 66 N 0.12 1.07 0.31 4.70 2.02 -1.94 -2.14 112.91 117.05 1xoa h THR 66 Ca 0.75 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.74 1xoa h THR 66 Cb 1.80 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 1xoa h THR 66 CO -0.73 0.07 -0.15 0.00 0.37 0.00 0.00 175.52 175.09 1xoa h ALA 67 N 1.84 -1.06 -0.61 6.16 0.00 -0.95 -1.13 119.26 123.52 1xoa h ALA 67 Ca 0.08 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.02 1xoa h ALA 67 Cb 0.00 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 17.85 1xoa h ALA 67 CO -0.01 -1.03 -0.02 -1.35 0.00 0.00 0.00 179.25 176.83 1xoa h PRO 68 N -0.43 0.09 -0.62 0.00 0.11 -1.68 0.60 132.00 130.07 1xoa h PRO 68 Ca -0.04 -0.01 0.13 0.00 0.11 0.00 0.00 66.00 66.19 1xoa h PRO 68 Cb 0.32 -0.02 -0.11 0.00 0.11 0.00 0.00 31.00 31.30 1xoa h PRO 68 CO 0.07 0.06 -0.04 0.87 -0.21 0.00 0.00 178.00 178.75 1xoa h LYS 69 N 0.10 0.08 -0.81 1.05 1.57 -1.32 0.07 116.57 117.31 1xoa h LYS 69 Ca 0.31 -0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.87 1xoa h LYS 69 Cb 0.50 -0.02 -0.13 0.00 0.08 0.00 0.00 32.23 32.67 1xoa h LYS 69 CO -0.54 0.05 0.27 0.66 -0.57 0.00 0.00 179.45 179.33 1xoa n TYR 70 N -5.33 2.26 -4.10 -1.35 4.01 -0.43 -4.93 117.16 107.28 1xoa n TYR 70 Ca 0.09 -1.14 -0.34 0.00 -0.16 0.00 0.00 57.90 56.36 1xoa n TYR 70 Cb 0.35 -0.66 -0.01 0.00 -0.31 0.00 0.00 39.34 38.72 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 -0.16 -0.45 3.57 2.72 0.00 0.01 -4.85 105.19 106.02 1xoa n GLY 71 Ca 0.38 0.16 -0.38 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.32 3.87 -1.39 -0.61 -1.09 0.10 -4.77 121.20 113.98 1xoa s ILE 72 Ca 0.68 -1.04 0.28 0.00 -2.23 0.00 0.00 60.65 58.34 1xoa s ILE 72 Cb -0.36 -4.89 0.47 0.00 -1.58 0.00 0.00 42.46 36.11 1xoa s ILE 72 CO 0.89 -1.72 1.98 0.54 -1.23 0.00 0.00 174.94 175.40 1xoa n ARG 73 N 8.69 0.37 -3.82 2.79 5.12 -1.26 -4.70 116.66 123.85 1xoa n ARG 73 Ca 0.40 0.02 -0.03 0.00 -1.93 0.00 0.00 57.85 56.31 1xoa n ARG 73 Cb 0.49 -1.50 0.01 0.00 -1.16 0.00 0.00 32.46 30.29 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 -2.61 -0.06 0.02 -0.13 0.00 -1.26 -5.19 107.32 98.09 1xoa s GLY 74 Ca 0.26 -0.07 -0.10 0.00 0.00 0.00 0.00 44.72 44.81 1xoa s GLY 74 CO 0.44 1.47 0.20 -0.26 0.00 0.00 0.00 173.10 174.95 1xoa s ILE 75 N -2.57 0.09 0.42 0.90 -4.36 -1.26 -4.39 121.20 110.03 1xoa s ILE 75 Ca 0.18 -0.76 -0.25 0.00 -0.26 0.00 0.00 60.65 59.56 1xoa s ILE 75 Cb -0.01 -0.72 -0.08 0.00 1.25 0.00 0.00 42.46 42.89 1xoa s ILE 75 CO 0.03 -0.42 1.18 -2.16 0.24 0.00 0.00 174.94 173.82 1xoa s PRO 76 N -2.01 3.96 -0.05 0.37 0.04 -1.26 -4.81 135.00 131.24 1xoa s PRO 76 Ca -0.09 1.86 -0.01 0.00 0.04 0.00 0.00 61.00 62.80 1xoa s PRO 76 Cb -0.04 -2.61 0.03 0.00 0.04 0.00 0.00 34.50 31.92 1xoa s PRO 76 CO -0.01 -0.40 0.01 0.99 0.04 0.00 0.00 177.00 177.63 1xoa s THR 77 N -1.43 0.25 -0.42 1.26 2.01 -1.13 -0.18 115.64 116.01 1xoa s THR 77 Ca 0.59 0.15 -0.09 0.00 0.31 0.00 0.00 61.69 62.65 1xoa s THR 77 Cb -0.31 -0.40 0.08 0.00 0.01 0.00 0.00 72.50 71.88 1xoa s THR 77 CO 0.39 0.21 0.26 -0.76 -0.69 0.00 0.00 174.62 174.03 1xoa s LEU 78 N 1.67 5.18 -0.34 4.42 1.43 0.37 -0.68 118.68 130.73 1xoa s LEU 78 Ca -0.00 -1.56 -0.18 0.00 -1.03 0.00 0.00 54.13 51.36 1xoa s LEU 78 Cb -0.13 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 1xoa s LEU 78 CO -0.03 -0.55 0.49 -0.76 0.23 0.00 0.00 176.35 175.73 1xoa s LEU 79 N 1.40 4.31 -0.59 1.79 1.02 0.04 -0.78 118.68 125.87 1xoa s LEU 79 Ca 0.03 0.02 -0.19 0.00 0.02 0.00 0.00 54.13 54.01 1xoa s LEU 79 Cb -0.23 -2.55 0.10 0.00 0.02 0.00 0.00 46.19 43.52 1xoa s LEU 79 CO 0.01 -0.43 0.72 -0.22 0.02 0.00 0.00 176.35 176.46 1xoa s LEU 80 N 2.32 5.27 -0.47 1.79 2.96 -0.06 -0.51 118.68 129.98 1xoa s LEU 80 Ca 0.18 -1.35 -0.24 0.00 -0.22 0.00 0.00 54.13 52.49 1xoa s LEU 80 Cb -0.16 -2.32 0.03 0.00 0.50 0.00 0.00 46.19 44.24 1xoa s LEU 80 CO 0.12 -1.12 0.85 -0.36 -1.32 0.00 0.00 176.35 174.52 1xoa s PHE 81 N 2.79 2.94 -0.27 5.38 0.40 0.90 -0.27 117.98 129.84 1xoa s PHE 81 Ca 0.13 0.19 -0.11 0.00 -0.60 0.00 0.00 56.93 56.54 1xoa s PHE 81 Cb -0.23 -3.82 -0.05 0.00 0.51 0.00 0.00 43.02 39.43 1xoa s PHE 81 CO 0.07 -1.08 0.18 0.15 0.70 0.00 0.00 175.22 175.23 1xoa s LYS 82 N 3.52 3.93 -1.45 0.44 -0.14 0.60 -0.74 119.74 125.91 1xoa s LYS 82 Ca 0.32 -0.33 -0.04 0.00 -1.36 0.00 0.00 55.97 54.55 1xoa s LYS 82 Cb -0.12 -3.62 0.03 0.00 -1.68 0.00 0.00 37.83 32.45 1xoa s LYS 82 CO 0.23 -0.16 0.58 -1.71 -0.76 0.00 0.00 175.35 173.54 1xoa n ASN 83 N 4.98 -1.39 0.00 2.83 5.15 0.14 -0.59 115.26 126.38 1xoa n ASN 83 Ca -0.14 -0.95 0.00 0.00 -0.60 0.00 0.00 54.58 52.89 1xoa n ASN 83 Cb 0.52 -3.28 0.00 0.00 -0.53 0.00 0.00 39.78 36.49 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 -1.79 1.25 3.59 8.20 0.00 -1.08 -4.88 105.19 110.47 1xoa n GLY 84 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.18 3.88 -0.33 1.61 2.02 0.24 -4.69 118.70 121.24 1xoa s GLU 85 Ca 0.00 -0.40 -0.28 0.00 0.02 0.00 0.00 54.97 54.32 1xoa s GLU 85 Cb 0.00 -3.14 -0.04 0.00 0.10 0.00 0.00 34.13 31.05 1xoa s GLU 85 CO 0.00 0.24 2.12 0.08 0.02 0.00 0.00 175.26 177.73 1xoa s VAL 86 N 0.43 3.16 -0.03 2.63 1.01 -1.26 -0.29 120.40 126.04 1xoa s VAL 86 Ca 0.01 0.14 -0.21 0.00 0.00 0.00 0.00 61.98 61.93 1xoa s VAL 86 Cb -0.13 -3.25 -0.31 0.00 0.00 0.00 0.00 36.38 32.69 1xoa s VAL 86 CO 0.01 -0.18 0.92 0.00 0.00 0.00 0.00 175.10 175.85 1xoa h ALA 87 N 15.45 -0.09 -2.60 5.51 0.00 -0.96 -3.48 119.26 133.09 1xoa h ALA 87 Ca -0.34 -0.71 -0.06 0.00 0.00 0.00 0.00 54.91 53.80 1xoa h ALA 87 Cb 1.22 0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.96 1xoa h ALA 87 CO 1.04 0.41 0.00 0.00 0.00 0.00 0.00 179.25 180.71 1xoa s ALA 88 N -2.51 -1.21 -0.21 0.00 0.00 -1.23 -5.03 121.76 111.57 1xoa s ALA 88 Ca -0.13 0.40 -0.01 0.00 0.00 0.00 0.00 51.96 52.23 1xoa s ALA 88 Cb 0.01 0.48 0.06 0.00 0.00 0.00 0.00 23.12 23.68 1xoa s ALA 88 CO 0.85 -0.55 -0.02 0.95 0.00 0.00 0.00 175.76 176.99 1xoa s THR 89 N -2.84 1.12 -0.41 0.00 -4.23 -1.26 -0.88 115.64 107.13 1xoa s THR 89 Ca -0.03 -0.90 -0.16 0.00 -1.18 0.00 0.00 61.69 59.42 1xoa s THR 89 Cb -0.00 -1.45 0.02 0.00 1.34 0.00 0.00 72.50 72.40 1xoa s THR 89 CO -0.05 -0.10 0.36 -0.75 -0.54 0.00 0.00 174.62 173.54 1xoa s LYS 90 N 1.59 3.07 -0.12 3.99 2.36 0.04 -4.92 119.74 125.75 1xoa s LYS 90 Ca -0.03 -0.87 -0.19 0.00 -2.55 0.00 0.00 55.97 52.33 1xoa s LYS 90 Cb -0.18 -3.96 -0.04 0.00 -1.05 0.00 0.00 37.83 32.60 1xoa s LYS 90 CO -0.07 -0.77 0.50 0.08 1.55 0.00 0.00 175.35 176.64 1xoa s VAL 91 N 1.89 5.17 0.00 4.02 1.01 -1.26 -0.48 120.40 130.75 1xoa s VAL 91 Ca 0.08 1.00 0.00 0.00 0.00 0.00 0.00 61.98 63.07 1xoa s VAL 91 Cb -0.18 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.36 1xoa s VAL 91 CO 0.12 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1xoa n GLY 92 N 3.28 0.90 3.75 4.51 0.00 0.75 -5.00 105.19 113.38 1xoa n GLY 92 Ca -0.06 -1.83 -0.29 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.61 1.64 0.24 4.61 0.00 -1.26 -4.78 121.76 119.59 1xoa s ALA 93 Ca 0.00 -0.33 -0.22 0.00 0.00 0.00 0.00 51.96 51.41 1xoa s ALA 93 Cb 0.00 -3.10 0.03 0.00 0.00 0.00 0.00 23.12 20.05 1xoa s ALA 93 CO 0.00 -2.31 0.78 -0.48 0.00 0.00 0.00 175.76 173.75 1xoa s LEU 94 N -6.11 -0.25 0.66 0.00 2.34 -1.26 -5.13 118.68 108.93 1xoa s LEU 94 Ca 0.63 -0.53 -0.11 0.00 0.06 0.00 0.00 54.13 54.18 1xoa s LEU 94 Cb -0.16 2.57 -0.01 0.00 -0.56 0.00 0.00 46.19 48.02 1xoa s LEU 94 CO 0.55 -1.21 1.05 -0.94 -1.06 0.00 0.00 176.35 174.74 1xoa s SER 95 N -2.92 5.78 0.20 1.48 1.04 -1.26 -4.86 113.70 113.17 1xoa s SER 95 Ca 0.11 1.51 -0.10 0.00 0.48 0.00 0.00 55.95 57.94 1xoa s SER 95 Cb -0.05 -2.46 0.24 0.00 0.10 0.00 0.00 66.02 63.84 1xoa s SER 95 CO 0.05 -1.17 1.76 0.50 0.98 0.00 0.00 173.24 175.36 1xoa h LYS 96 N -0.53 0.45 0.13 4.02 3.64 -1.99 0.76 116.57 123.05 1xoa h LYS 96 Ca -0.44 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 58.93 1xoa h LYS 96 Cb 1.20 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 1xoa h LYS 96 CO 0.59 0.30 -0.24 0.78 -2.27 0.00 0.00 179.45 178.62 1xoa h GLY 97 N 0.46 -0.44 1.10 5.01 0.00 -1.99 0.12 103.07 107.33 1xoa h GLY 97 Ca 0.28 0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.88 1xoa h GLY 97 CO -0.25 -0.21 0.51 1.46 0.00 0.00 0.00 176.54 178.05 1xoa h GLN 98 N -0.44 1.19 0.24 4.80 1.08 -1.82 0.18 115.11 120.33 1xoa h GLN 98 Ca 0.03 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 1xoa h GLN 98 Cb 0.46 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1xoa h GLN 98 CO -0.13 0.84 -0.12 1.25 -0.95 0.00 0.00 178.83 179.73 1xoa h LEU 99 N 1.20 -0.28 -0.58 1.46 5.85 -0.41 0.51 115.31 123.07 1xoa h LEU 99 Ca 0.31 0.01 0.07 0.00 0.84 0.00 0.00 57.88 59.11 1xoa h LEU 99 Cb -0.03 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 1xoa h LEU 99 CO -0.06 -0.20 0.25 0.11 -0.34 0.00 0.00 178.44 178.21 1xoa h LYS 100 N -0.32 0.46 0.27 1.25 1.57 -0.34 1.00 116.57 120.46 1xoa h LYS 100 Ca -0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1xoa h LYS 100 Cb 0.25 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1xoa h LYS 100 CO 0.05 0.30 -0.29 1.49 -0.57 0.00 0.00 179.45 180.43 1xoa h GLU 101 N 0.47 -0.58 -0.20 3.15 4.22 -0.70 0.12 114.58 121.06 1xoa h GLU 101 Ca 0.28 0.04 0.05 0.00 0.08 0.00 0.00 59.36 59.81 1xoa h GLU 101 Cb 0.27 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 1xoa h GLU 101 CO -0.24 -0.39 -0.17 0.35 -2.18 0.00 0.00 179.01 176.39 1xoa h PHE 102 N -0.60 -0.42 0.04 0.92 3.57 -0.40 0.53 116.94 120.57 1xoa h PHE 102 Ca -0.01 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1xoa h PHE 102 Cb 0.56 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 1xoa h PHE 102 CO -0.19 -0.24 -0.11 -0.07 -2.23 0.00 0.00 178.31 175.47 1xoa h LEU 103 N -0.17 -0.31 -0.16 0.59 3.38 -0.63 -0.65 115.31 117.36 1xoa h LEU 103 Ca 0.12 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.18 1xoa h LEU 103 Cb 0.35 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1xoa h LEU 103 CO -0.31 -0.16 -0.14 -0.78 0.09 0.00 0.00 178.44 177.14 1xoa h ASP 104 N -0.21 -0.46 -0.97 -0.43 3.58 -0.38 0.19 116.42 117.75 1xoa h ASP 104 Ca 0.03 0.09 0.11 0.00 0.42 0.00 0.00 57.03 57.68 1xoa h ASP 104 Cb 0.24 0.23 -0.08 0.00 1.72 0.00 0.00 39.33 41.43 1xoa h ASP 104 CO -0.08 -0.19 0.60 0.00 -2.88 0.00 0.00 179.24 176.69 1xoa h ALA 105 N 0.92 1.44 0.13 -0.78 0.00 -0.60 0.86 119.26 121.23 1xoa h ALA 105 Ca 0.10 0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.73 1xoa h ALA 105 Cb 0.32 -0.21 0.03 0.00 0.00 0.00 0.00 17.79 17.93 1xoa h ALA 105 CO -0.26 0.23 -1.24 -0.91 0.00 0.00 0.00 179.25 177.07 1xoa h ASN 106 N 0.98 0.86 -0.22 0.00 2.35 -0.41 -3.28 115.58 115.86 1xoa h ASN 106 Ca 0.47 -0.84 -0.01 0.00 -0.55 0.00 0.00 56.30 55.38 1xoa h ASN 106 Cb 0.43 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1xoa h ASN 106 CO -0.25 1.61 0.12 -0.07 -1.65 0.00 0.00 177.43 177.18 1xoa h LEU 107 N 0.23 0.29 0.00 1.61 3.38 -0.31 -3.51 115.31 117.00 1xoa h LEU 107 Ca -0.19 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1xoa h LEU 107 Cb 1.92 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1xoa h LEU 107 CO 0.24 0.31 0.00 0.00 0.09 0.00 0.00 178.44 179.08