#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 -0.82 6.43 2.03 -1.26 -0.53 116.55 122.39 1xoa n ASP 2 Ca 0.00 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.35 1xoa n ASP 2 Cb 0.00 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 40.48 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 0.56 -2.73 -0.67 5.02 -1.26 -5.08 118.16 113.99 1xoa n LYS 3 Ca 0.00 -2.14 -0.41 0.00 -2.02 0.00 0.00 58.31 53.75 1xoa n LYS 3 Cb 0.00 -0.72 -0.05 0.00 -0.02 0.00 0.00 35.03 34.24 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 -1.18 4.36 -0.35 -0.18 1.01 0.31 -4.63 121.20 120.54 1xoa s ILE 4 Ca 0.26 2.08 -0.21 0.00 0.00 0.00 0.00 60.65 62.78 1xoa s ILE 4 Cb 0.27 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 38.42 1xoa s ILE 4 CO -0.07 0.37 0.65 -0.63 0.00 0.00 0.00 174.94 175.26 1xoa s ILE 5 N -0.37 4.88 -0.81 2.92 -1.09 -0.21 -4.88 121.20 121.65 1xoa s ILE 5 Ca 0.45 0.66 -0.24 0.00 -2.23 0.00 0.00 60.65 59.29 1xoa s ILE 5 Cb -0.24 -4.07 0.05 0.00 -1.58 0.00 0.00 42.46 36.62 1xoa s ILE 5 CO 0.31 -0.29 1.24 -1.00 -1.23 0.00 0.00 174.94 173.96 1xoa s HIS 6 N 2.73 2.51 0.52 3.97 3.76 -1.26 -0.37 115.29 127.14 1xoa s HIS 6 Ca 0.25 -0.47 -0.09 0.00 -0.15 0.00 0.00 55.06 54.60 1xoa s HIS 6 Cb -0.14 -4.54 -0.04 0.00 1.11 0.00 0.00 32.58 28.96 1xoa s HIS 6 CO 0.14 -1.90 0.87 -0.51 -0.85 0.00 0.00 174.74 172.50 1xoa s LEU 7 N 4.90 3.53 0.23 0.89 1.43 0.08 -4.98 118.68 124.76 1xoa s LEU 7 Ca 0.35 1.16 0.09 0.00 -1.03 0.00 0.00 54.13 54.69 1xoa s LEU 7 Cb -0.08 -4.13 -0.05 0.00 0.03 0.00 0.00 46.19 41.96 1xoa s LEU 7 CO 0.06 -0.64 -0.15 0.42 0.23 0.00 0.00 176.35 176.26 1xoa s THR 8 N -2.82 1.89 0.21 5.49 -4.23 -1.26 -4.20 115.64 110.71 1xoa s THR 8 Ca 0.51 -2.25 -0.09 0.00 -1.18 0.00 0.00 61.69 58.69 1xoa s THR 8 Cb -0.10 -2.14 0.15 0.00 1.34 0.00 0.00 72.50 71.75 1xoa s THR 8 CO 0.45 -0.53 1.79 -0.78 -0.54 0.00 0.00 174.62 175.01 1xoa h ASP 9 N 2.47 0.48 -0.50 3.99 3.58 -1.93 0.10 116.42 124.61 1xoa h ASP 9 Ca -0.39 0.04 0.08 0.00 0.42 0.00 0.00 57.03 57.18 1xoa h ASP 9 Cb 1.23 -0.05 -0.06 0.00 1.72 0.00 0.00 39.33 42.17 1xoa h ASP 9 CO 0.62 0.30 0.14 0.44 -2.88 0.00 0.00 179.24 177.87 1xoa h ASP 10 N 0.62 0.10 1.08 2.28 5.19 -2.01 -2.42 116.42 121.27 1xoa h ASP 10 Ca 0.31 0.07 -0.15 0.00 -0.62 0.00 0.00 57.03 56.64 1xoa h ASP 10 Cb 0.25 0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.82 1xoa h ASP 10 CO -0.22 0.08 -0.73 0.77 -3.12 0.00 0.00 179.24 176.03 1xoa h SER 11 N 0.30 0.00 -0.90 6.45 4.64 -1.78 -3.37 113.55 118.89 1xoa h SER 11 Ca 0.25 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.71 1xoa h SER 11 Cb 0.30 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.24 1xoa h SER 11 CO -0.28 0.73 -0.34 0.33 -0.87 0.00 0.00 176.83 176.40 1xoa n PHE 12 N -3.39 0.06 0.21 4.77 -0.00 0.29 -0.53 117.46 118.87 1xoa n PHE 12 Ca 0.00 1.11 -0.13 0.00 -0.00 0.00 0.00 57.45 58.43 1xoa n PHE 12 Cb 0.79 -0.86 -0.07 0.00 -0.00 0.00 0.00 39.48 39.34 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 -1.02 -0.77 -2.13 3.58 -1.73 0.40 116.42 114.76 1xoa h ASP 13 Ca 0.33 0.08 0.07 0.00 0.42 0.00 0.00 57.03 57.93 1xoa h ASP 13 Cb 0.55 0.34 -0.05 0.00 1.72 0.00 0.00 39.33 41.89 1xoa h ASP 13 CO -0.90 -0.49 0.50 0.71 -2.88 0.00 0.00 179.24 176.19 1xoa h THR 14 N -0.73 1.01 0.00 2.25 1.35 -1.59 -1.39 112.91 113.80 1xoa h THR 14 Ca -0.05 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1xoa h THR 14 Cb 0.64 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.21 1xoa h THR 14 CO -0.05 0.14 -0.29 0.44 -0.25 0.00 0.00 175.52 175.52 1xoa h ASP 15 N 0.79 0.00 0.02 5.36 5.19 -0.65 -3.37 116.42 123.76 1xoa h ASP 15 Ca 0.34 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.72 1xoa h ASP 15 Cb 0.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.81 1xoa h ASP 15 CO -0.12 0.54 -0.14 0.58 -3.12 0.00 0.00 179.24 176.99 1xoa h VAL 16 N -0.80 1.74 -0.02 -1.35 2.07 -0.30 -2.98 116.25 114.61 1xoa h VAL 16 Ca 0.00 -2.34 -0.06 0.00 0.82 0.00 0.00 66.70 65.12 1xoa h VAL 16 Cb 0.29 3.32 -0.01 0.00 -1.52 0.00 0.00 31.29 33.37 1xoa h VAL 16 CO 0.00 0.62 -0.27 -0.07 0.02 0.00 0.00 177.57 177.87 1xoa h LEU 17 N -0.87 0.04 -3.69 2.57 3.38 -0.81 -0.83 115.31 115.09 1xoa h LEU 17 Ca -0.02 -0.01 -0.46 0.00 0.09 0.00 0.00 57.88 57.48 1xoa h LEU 17 Cb 1.09 -0.01 -0.25 0.00 0.09 0.00 0.00 40.66 41.58 1xoa h LEU 17 CO 0.03 0.31 0.59 0.29 0.09 0.00 0.00 178.44 179.75 1xoa n LYS 18 N -4.20 2.12 -0.93 1.13 5.02 -0.99 -2.96 118.16 117.34 1xoa n LYS 18 Ca -0.02 -2.54 -0.36 0.00 -2.02 0.00 0.00 58.31 53.38 1xoa n LYS 18 Cb 0.33 -1.99 -0.05 0.00 -0.02 0.00 0.00 35.03 33.30 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 -0.77 3.38 -1.34 7.82 0.00 -0.32 -4.82 120.51 124.46 1xoa n ALA 19 Ca 0.50 -2.75 -0.42 0.00 0.00 0.00 0.00 53.44 50.77 1xoa n ALA 19 Cb 1.26 -3.42 -0.04 0.00 0.00 0.00 0.00 19.45 17.25 1xoa n ALA 19 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xoa n ASP 20 N 6.60 2.88 0.00 0.00 8.00 -1.26 0.14 116.55 132.90 1xoa n ASP 20 Ca 0.46 -2.72 0.00 0.00 0.71 0.00 0.00 54.79 53.24 1xoa n ASP 20 Cb 0.31 -1.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.14 1xoa n ASP 20 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xoa n GLY 21 N 4.50 -0.54 3.02 0.44 0.00 -1.26 -4.96 105.19 106.39 1xoa n GLY 21 Ca 0.50 0.31 -0.11 0.00 0.00 0.00 0.00 46.02 46.72 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 -0.89 -0.17 4.61 0.00 -1.26 -3.82 121.76 119.23 1xoa s ALA 22 Ca 0.00 1.01 -0.02 0.00 0.00 0.00 0.00 51.96 52.95 1xoa s ALA 22 Cb 0.00 -1.38 -0.01 0.00 0.00 0.00 0.00 23.12 21.73 1xoa s ALA 22 CO 0.00 -0.97 -0.09 0.42 0.00 0.00 0.00 175.76 175.13 1xoa s ILE 23 N 2.51 3.27 -0.45 0.00 1.01 0.21 -0.59 121.20 127.17 1xoa s ILE 23 Ca 0.05 -0.56 -0.11 0.00 0.00 0.00 0.00 60.65 60.03 1xoa s ILE 23 Cb -0.14 -2.43 0.08 0.00 0.01 0.00 0.00 42.46 39.99 1xoa s ILE 23 CO -0.13 0.48 0.32 -0.22 0.00 0.00 0.00 174.94 175.40 1xoa s LEU 24 N 0.80 5.41 -0.35 2.97 1.98 -0.08 -0.28 118.68 129.12 1xoa s LEU 24 Ca -0.03 -1.51 -0.20 0.00 -2.89 0.00 0.00 54.13 49.51 1xoa s LEU 24 Cb -0.15 -2.06 -0.00 0.00 0.66 0.00 0.00 46.19 44.64 1xoa s LEU 24 CO 0.01 -0.60 0.59 -0.69 -1.89 0.00 0.00 176.35 173.77 1xoa s VAL 25 N 1.49 4.94 -0.47 1.68 1.01 0.34 -0.15 120.40 129.24 1xoa s VAL 25 Ca 0.04 0.53 -0.18 0.00 0.00 0.00 0.00 61.98 62.36 1xoa s VAL 25 Cb -0.24 -4.03 0.05 0.00 0.00 0.00 0.00 36.38 32.16 1xoa s VAL 25 CO 0.03 -0.27 0.53 -0.62 0.00 0.00 0.00 175.10 174.78 1xoa s ASP 26 N 1.77 6.21 -0.18 3.32 2.15 0.50 -0.80 116.67 129.64 1xoa s ASP 26 Ca 0.23 -0.90 -0.29 0.00 0.43 0.00 0.00 52.55 52.01 1xoa s ASP 26 Cb -0.15 -2.25 -0.00 0.00 -0.30 0.00 0.00 42.92 40.22 1xoa s ASP 26 CO 0.14 -0.76 1.06 -0.36 -0.17 0.00 0.00 175.17 175.08 1xoa s PHE 27 N 2.33 3.34 0.38 -5.34 0.40 0.23 -0.94 117.98 118.37 1xoa s PHE 27 Ca 0.13 1.45 0.06 0.00 -0.60 0.00 0.00 56.93 57.96 1xoa s PHE 27 Cb -0.19 -3.28 -0.02 0.00 0.51 0.00 0.00 43.02 40.04 1xoa s PHE 27 CO 0.12 -0.56 0.21 1.67 0.70 0.00 0.00 175.22 177.36 1xoa s TRP 28 N 2.84 1.77 0.05 0.36 1.48 0.17 -2.95 118.94 122.67 1xoa s TRP 28 Ca 0.47 -1.50 -0.14 0.00 -1.06 0.00 0.00 56.10 53.86 1xoa s TRP 28 Cb -0.17 -0.93 0.02 0.00 -1.16 0.00 0.00 33.47 31.23 1xoa s TRP 28 CO 0.11 -0.61 0.31 0.00 -4.06 0.00 0.00 176.95 172.70 1xoa s ALA 29 N -3.31 -0.70 0.56 2.67 0.00 -1.26 -0.72 121.76 118.99 1xoa s ALA 29 Ca 0.32 -0.01 0.24 0.00 0.00 0.00 0.00 51.96 52.51 1xoa s ALA 29 Cb 0.02 0.36 1.50 0.00 0.00 0.00 0.00 23.12 25.00 1xoa s ALA 29 CO 0.21 -0.44 2.10 0.93 0.00 0.00 0.00 175.76 178.57 1xoa h GLU 30 N 3.10 0.00 -0.01 0.00 3.07 -1.99 0.24 114.58 118.99 1xoa h GLU 30 Ca -0.32 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 1xoa h GLU 30 Cb 1.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 1xoa h GLU 30 CO 0.46 0.00 -0.20 -2.67 -1.40 0.00 0.00 179.01 175.21 1xoa n TRP 31 N -4.16 0.00 -2.56 4.33 4.27 -1.26 -4.77 117.44 113.29 1xoa n TRP 31 Ca 0.02 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.20 1xoa n TRP 31 Cb 0.30 -0.10 -0.00 0.00 -1.36 0.00 0.00 31.31 30.15 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 12.74 -0.80 0.48 0.00 0.00 -1.86 -0.55 103.07 113.08 1xoa h GLY 33 Ca 0.44 0.68 0.20 0.00 0.00 0.00 0.00 47.33 48.65 1xoa h GLY 33 CO 1.45 -0.11 0.55 -2.55 0.00 0.00 0.00 176.54 175.89 1xoa h PRO 34 N -0.28 0.21 -0.45 4.80 0.11 -1.93 -0.05 132.00 134.41 1xoa h PRO 34 Ca 0.12 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.19 1xoa h PRO 34 Cb 0.56 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 1xoa h PRO 34 CO -0.68 0.14 0.17 0.00 -0.21 0.00 0.00 178.00 177.42 1xoa h LYS 36 N 0.58 0.78 -0.81 0.00 1.57 -0.77 0.12 116.57 118.04 1xoa h LYS 36 Ca 0.15 -0.13 0.09 0.00 -1.87 0.00 0.00 60.65 58.88 1xoa h LYS 36 Cb 0.20 -0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.31 1xoa h LYS 36 CO -0.01 0.67 0.47 0.52 -0.57 0.00 0.00 179.45 180.53 1xoa h MET 37 N 0.71 0.78 0.00 3.15 2.86 -0.67 -2.03 114.93 119.73 1xoa h MET 37 Ca 0.18 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.70 1xoa h MET 37 Cb 0.17 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1xoa h MET 37 CO -0.02 0.51 -0.39 -0.84 1.06 0.00 0.00 176.91 177.24 1xoa h ILE 38 N 0.80 0.54 -0.97 -1.22 3.07 -0.75 -3.39 117.51 115.59 1xoa h ILE 38 Ca 0.38 -1.78 0.18 0.00 1.55 0.00 0.00 64.86 65.19 1xoa h ILE 38 Cb 0.32 2.24 -0.17 0.00 -0.27 0.00 0.00 36.82 38.94 1xoa h ILE 38 CO -0.23 0.31 -0.30 0.00 -1.05 0.00 0.00 178.15 176.87 1xoa h ALA 39 N 1.67 0.43 -0.80 0.16 0.00 -0.20 0.30 119.26 120.83 1xoa h ALA 39 Ca -0.01 0.33 0.12 0.00 0.00 0.00 0.00 54.91 55.35 1xoa h ALA 39 Cb 1.26 0.85 -0.08 0.00 0.00 0.00 0.00 17.79 19.81 1xoa h ALA 39 CO 0.04 -0.49 0.41 -1.35 0.00 0.00 0.00 179.25 177.86 1xoa h PRO 40 N -0.01 0.62 -0.12 0.00 0.11 -1.76 0.18 132.00 131.03 1xoa h PRO 40 Ca 0.41 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.48 1xoa h PRO 40 Cb 0.66 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 1xoa h PRO 40 CO -0.99 0.41 0.07 0.82 -0.21 0.00 0.00 178.00 178.10 1xoa h ILE 41 N 0.64 1.09 -0.87 4.15 2.04 -0.74 0.74 117.51 124.57 1xoa h ILE 41 Ca 0.41 -0.25 0.07 0.00 1.00 0.00 0.00 64.86 66.09 1xoa h ILE 41 Cb 0.50 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.55 1xoa h ILE 41 CO -0.31 0.08 0.54 -0.07 0.00 0.00 0.00 178.15 178.39 1xoa h LEU 42 N 0.10 0.83 -0.03 1.44 3.38 -0.01 0.94 115.31 121.96 1xoa h LEU 42 Ca 0.04 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xoa h LEU 42 Cb 0.07 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1xoa h LEU 42 CO -0.01 0.52 0.01 0.44 0.09 0.00 0.00 178.44 179.50 1xoa h ASP 43 N 0.96 0.04 -0.19 -0.43 3.32 -0.16 0.16 116.42 120.12 1xoa h ASP 43 Ca 0.39 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.36 1xoa h ASP 43 Cb 0.21 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 1xoa h ASP 43 CO -0.19 0.15 -0.08 -0.33 -1.72 0.00 0.00 179.24 177.07 1xoa h GLU 44 N -0.07 -0.05 -0.27 3.56 5.08 -0.29 -0.36 114.58 122.18 1xoa h GLU 44 Ca 0.01 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1xoa h GLU 44 Cb 0.12 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1xoa h GLU 44 CO -0.00 -0.03 0.02 0.82 -1.00 0.00 0.00 179.01 178.82 1xoa h ILE 45 N -0.05 0.83 -0.79 3.13 1.08 -0.67 0.11 117.51 121.15 1xoa h ILE 45 Ca 0.10 -0.04 0.12 0.00 -0.39 0.00 0.00 64.86 64.65 1xoa h ILE 45 Cb 0.20 0.71 -0.08 0.00 -3.07 0.00 0.00 36.82 34.58 1xoa h ILE 45 CO -0.23 0.02 0.40 0.00 -0.69 0.00 0.00 178.15 177.65 1xoa h ALA 46 N 1.22 1.14 0.45 1.87 0.00 0.06 0.16 119.26 124.15 1xoa h ALA 46 Ca 0.13 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1xoa h ALA 46 Cb 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1xoa h ALA 46 CO -0.20 -0.05 -0.22 0.22 0.00 0.00 0.00 179.25 179.00 1xoa h ASP 47 N 0.63 -0.51 -0.79 0.00 3.58 -0.38 -1.85 116.42 117.10 1xoa h ASP 47 Ca 0.41 -0.09 0.16 0.00 0.42 0.00 0.00 57.03 57.93 1xoa h ASP 47 Cb 0.50 0.13 -0.10 0.00 1.72 0.00 0.00 39.33 41.58 1xoa h ASP 47 CO -0.32 -0.12 0.31 -0.33 -2.88 0.00 0.00 179.24 175.91 1xoa h GLU 48 N -0.99 0.41 -0.64 0.28 5.08 -0.36 -1.07 114.58 117.29 1xoa h GLU 48 Ca -0.06 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 1xoa h GLU 48 Cb 0.57 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 1xoa h GLU 48 CO 0.10 0.27 0.10 0.66 -1.00 0.00 0.00 179.01 179.15 1xoa n TYR 49 N -5.02 2.24 -1.67 4.33 4.02 0.51 -5.00 117.16 116.57 1xoa n TYR 49 Ca 0.16 -0.90 -0.47 0.00 -0.01 0.00 0.00 57.90 56.68 1xoa n TYR 49 Cb 0.47 -0.58 -0.04 0.00 -0.02 0.00 0.00 39.34 39.16 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 0.34 2.07 0.00 -0.72 10.64 -0.41 -0.42 117.38 128.88 1xoa n GLN 50 Ca 0.33 0.75 0.00 0.00 -1.83 0.00 0.00 57.00 56.25 1xoa n GLN 50 Cb 1.28 -2.52 0.00 0.00 -0.86 0.00 0.00 30.24 28.14 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 3.53 3.07 0.13 2.61 0.00 -1.26 -4.76 105.19 108.51 1xoa n GLY 51 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 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 0.62 -4.54 1.61 5.02 0.44 -4.96 118.16 114.35 1xoa n LYS 52 Ca 0.00 0.23 -0.24 0.00 -2.02 0.00 0.00 58.31 56.28 1xoa n LYS 52 Cb 0.00 -1.52 -0.16 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 -7.09 1.65 -0.49 -0.35 2.96 0.09 -4.39 118.68 111.06 1xoa s LEU 53 Ca -0.36 -0.27 -0.16 0.00 -0.22 0.00 0.00 54.13 53.12 1xoa s LEU 53 Cb 0.12 -0.76 0.08 0.00 0.50 0.00 0.00 46.19 46.13 1xoa s LEU 53 CO 0.55 0.04 0.44 -0.89 -1.32 0.00 0.00 176.35 175.17 1xoa s THR 54 N 0.57 5.19 0.22 3.68 2.01 0.25 -4.49 115.64 123.07 1xoa s THR 54 Ca -0.12 -1.10 -0.30 0.00 0.31 0.00 0.00 61.69 60.48 1xoa s THR 54 Cb -0.14 -4.19 -0.08 0.00 0.01 0.00 0.00 72.50 68.09 1xoa s THR 54 CO 0.03 -0.67 0.97 -0.69 -0.69 0.00 0.00 174.62 173.56 1xoa s VAL 55 N 1.74 4.09 0.04 3.82 1.01 -1.26 -0.91 120.40 128.93 1xoa s VAL 55 Ca 0.05 2.01 0.01 0.00 0.00 0.00 0.00 61.98 64.06 1xoa s VAL 55 Cb -0.25 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 31.82 1xoa s VAL 55 CO 0.06 0.44 -0.06 0.00 0.00 0.00 0.00 175.10 175.55 1xoa s ALA 56 N -0.92 0.44 -0.04 5.51 0.00 0.79 -1.04 121.76 126.48 1xoa s ALA 56 Ca 0.43 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.69 1xoa s ALA 56 Cb -0.26 0.09 -0.00 0.00 0.00 0.00 0.00 23.12 22.94 1xoa s ALA 56 CO 0.33 -0.08 -0.17 0.15 0.00 0.00 0.00 175.76 175.98 1xoa s LYS 57 N -1.69 1.80 -0.13 0.00 1.02 0.50 -0.37 119.74 120.89 1xoa s LYS 57 Ca -0.11 -0.62 0.01 0.00 0.02 0.00 0.00 55.97 55.27 1xoa s LYS 57 Cb -0.09 -1.57 0.02 0.00 -0.52 0.00 0.00 37.83 35.67 1xoa s LYS 57 CO -0.01 0.25 -0.13 -1.17 -0.92 0.00 0.00 175.35 173.37 1xoa s LEU 58 N 0.03 1.59 -0.44 3.17 0.20 -0.12 -0.74 118.68 122.37 1xoa s LEU 58 Ca -0.04 -0.42 -0.24 0.00 0.69 0.00 0.00 54.13 54.12 1xoa s LEU 58 Cb -0.12 -1.07 0.02 0.00 -0.43 0.00 0.00 46.19 44.60 1xoa s LEU 58 CO 0.02 -0.04 0.85 0.21 -0.29 0.00 0.00 176.35 177.10 1xoa s ASN 59 N 1.35 6.48 0.39 3.68 3.84 -1.26 -0.65 114.94 128.77 1xoa s ASN 59 Ca 0.01 0.09 0.14 0.00 0.21 0.00 0.00 52.86 53.31 1xoa s ASN 59 Cb -0.13 -2.42 0.80 0.00 -0.55 0.00 0.00 41.25 38.94 1xoa s ASN 59 CO -0.07 -0.94 1.85 0.16 -2.79 0.00 0.00 177.10 175.31 1xoa h ILE 60 N 5.98 1.17 -0.19 -5.21 3.07 -1.15 -0.49 117.51 120.70 1xoa h ILE 60 Ca -0.24 -1.19 -0.01 0.00 1.55 0.00 0.00 64.86 64.96 1xoa h ILE 60 Cb 1.08 1.66 -0.01 0.00 -0.27 0.00 0.00 36.82 39.28 1xoa h ILE 60 CO 0.98 0.33 0.08 0.44 -1.05 0.00 0.00 178.15 178.93 1xoa h ASP 61 N 0.00 0.26 0.41 2.16 3.32 -1.92 -1.06 116.42 119.59 1xoa h ASP 61 Ca -0.00 -0.16 -0.12 0.00 0.02 0.00 0.00 57.03 56.77 1xoa h ASP 61 Cb 0.63 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1xoa h ASP 61 CO 0.04 0.35 -0.51 1.56 -1.72 0.00 0.00 179.24 178.97 1xoa h GLN 62 N 0.15 0.11 -2.36 3.56 4.20 -1.92 -3.36 115.11 115.48 1xoa h GLN 62 Ca 0.06 -0.06 -0.59 0.00 0.06 0.00 0.00 58.65 58.12 1xoa h GLN 62 Cb 0.17 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 27.55 1xoa h GLN 62 CO -0.01 0.59 -0.75 0.09 -0.67 0.00 0.00 178.83 178.09 1xoa n ASN 63 N -3.94 2.27 0.10 1.46 3.02 -0.20 -4.98 115.26 112.99 1xoa n ASN 63 Ca -0.02 -3.09 -0.13 0.00 -0.03 0.00 0.00 54.58 51.31 1xoa n ASN 63 Cb 0.54 -0.67 -0.06 0.00 -0.61 0.00 0.00 39.78 38.98 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 4.57 -0.53 -0.83 3.52 0.11 -1.37 -3.21 132.00 134.26 1xoa h PRO 64 Ca 0.17 0.04 0.20 0.00 0.11 0.00 0.00 66.00 66.51 1xoa h PRO 64 Cb 0.76 0.12 -0.16 0.00 0.11 0.00 0.00 31.00 31.84 1xoa h PRO 64 CO 0.67 -0.36 -0.09 0.41 -0.21 0.00 0.00 178.00 178.42 1xoa n GLY 65 N -1.43 -1.26 0.25 -0.55 0.00 -1.26 -0.53 105.19 100.42 1xoa n GLY 65 Ca -0.06 0.85 0.09 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 0.91 0.51 2.61 2.02 -1.93 -3.20 112.91 113.82 1xoa h THR 66 Ca 0.45 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 67.33 1xoa h THR 66 Cb 0.82 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1xoa h THR 66 CO -0.82 0.08 -0.28 0.00 0.37 0.00 0.00 175.52 174.87 1xoa h ALA 67 N 1.92 -1.16 -0.74 6.16 0.00 -0.97 -2.38 119.26 122.10 1xoa h ALA 67 Ca -0.00 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1xoa h ALA 67 Cb 0.15 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1xoa h ALA 67 CO 0.01 -1.12 0.48 -1.00 0.00 0.00 0.00 179.25 177.63 1xoa h PRO 68 N -0.72 0.94 -0.79 0.00 0.13 -1.72 0.77 132.00 130.60 1xoa h PRO 68 Ca -0.07 -0.06 0.17 0.00 -0.87 0.00 0.00 66.00 65.18 1xoa h PRO 68 Cb 0.57 -0.21 -0.11 0.00 0.13 0.00 0.00 31.00 31.37 1xoa h PRO 68 CO 0.09 0.62 0.26 0.87 -0.23 0.00 0.00 178.00 179.62 1xoa h LYS 69 N 0.97 0.33 -0.66 0.86 1.57 -1.54 0.13 116.57 118.23 1xoa h LYS 69 Ca 0.28 -0.02 -0.24 0.00 -1.87 0.00 0.00 60.65 58.80 1xoa h LYS 69 Cb -0.07 -0.08 -0.15 0.00 0.08 0.00 0.00 32.23 32.02 1xoa h LYS 69 CO -0.08 0.22 0.25 0.66 -0.57 0.00 0.00 179.45 179.93 1xoa n TYR 70 N -5.09 2.14 -4.19 -1.35 4.01 -0.90 -4.96 117.16 106.81 1xoa n TYR 70 Ca 0.17 -1.37 -0.33 0.00 -0.16 0.00 0.00 57.90 56.21 1xoa n TYR 70 Cb 0.51 -0.66 -0.04 0.00 -0.31 0.00 0.00 39.34 38.84 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 -0.59 -0.31 3.29 2.72 0.00 0.03 -4.82 105.19 105.51 1xoa n GLY 71 Ca 0.41 0.14 -0.39 0.00 0.00 0.00 0.00 46.02 46.18 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 -4.39 2.94 1.46 -0.61 2.08 0.17 -4.67 119.36 116.34 1xoa n ILE 72 Ca -0.11 -2.86 0.15 0.00 0.56 0.00 0.00 62.75 60.48 1xoa n ILE 72 Cb 0.59 -2.36 0.76 0.00 -0.75 0.00 0.00 39.64 37.88 1xoa n ILE 72 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1xoa n ARG 73 N 7.57 0.49 -3.79 0.38 1.74 -1.26 -4.84 116.66 116.95 1xoa n ARG 73 Ca 0.49 0.01 -0.04 0.00 -0.77 0.00 0.00 57.85 57.53 1xoa n ARG 73 Cb 0.43 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.36 1xoa n ARG 73 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1xoa s GLY 74 N -2.49 -0.17 0.02 -0.13 0.00 -1.26 -5.19 107.32 98.10 1xoa s GLY 74 Ca 0.30 -0.01 -0.15 0.00 0.00 0.00 0.00 44.72 44.85 1xoa s GLY 74 CO 0.44 0.10 0.34 -0.26 0.00 0.00 0.00 173.10 173.72 1xoa s ILE 75 N -3.32 0.07 0.38 0.90 -4.36 -1.26 -4.43 121.20 109.18 1xoa s ILE 75 Ca 0.13 -0.55 -0.27 0.00 -0.26 0.00 0.00 60.65 59.70 1xoa s ILE 75 Cb -0.02 -0.84 -0.09 0.00 1.25 0.00 0.00 42.46 42.75 1xoa s ILE 75 CO 0.04 -0.30 1.26 -2.16 0.24 0.00 0.00 174.94 174.02 1xoa s PRO 76 N -2.11 4.11 -0.08 0.37 0.04 -1.26 -4.82 135.00 131.25 1xoa s PRO 76 Ca -0.08 2.08 -0.01 0.00 0.04 0.00 0.00 61.00 63.03 1xoa s PRO 76 Cb -0.02 -2.84 0.03 0.00 0.04 0.00 0.00 34.50 31.71 1xoa s PRO 76 CO -0.00 -0.35 -0.01 0.99 0.04 0.00 0.00 177.00 177.67 1xoa s THR 77 N -1.26 0.44 -0.30 1.26 2.01 -1.15 -0.27 115.64 116.37 1xoa s THR 77 Ca 0.54 0.08 -0.09 0.00 0.31 0.00 0.00 61.69 62.54 1xoa s THR 77 Cb -0.37 -0.59 -0.01 0.00 0.01 0.00 0.00 72.50 71.55 1xoa s THR 77 CO 0.47 0.27 0.13 -0.76 -0.69 0.00 0.00 174.62 174.04 1xoa s LEU 78 N 1.95 3.97 -0.21 4.42 1.43 0.41 -0.60 118.68 130.05 1xoa s LEU 78 Ca 0.05 -0.50 -0.04 0.00 -1.03 0.00 0.00 54.13 52.61 1xoa s LEU 78 Cb -0.12 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 1xoa s LEU 78 CO -0.06 -0.17 -0.04 -0.76 0.23 0.00 0.00 176.35 175.55 1xoa s LEU 79 N 1.60 2.97 -0.49 1.79 1.02 0.02 -0.58 118.68 125.01 1xoa s LEU 79 Ca 0.05 -0.33 -0.17 0.00 0.02 0.00 0.00 54.13 53.69 1xoa s LEU 79 Cb -0.17 -1.75 0.07 0.00 0.02 0.00 0.00 46.19 44.37 1xoa s LEU 79 CO 0.05 0.02 0.48 -0.22 0.02 0.00 0.00 176.35 176.70 1xoa s LEU 80 N 1.24 5.45 -0.24 1.79 2.96 -0.15 -0.50 118.68 129.23 1xoa s LEU 80 Ca 0.03 -1.23 -0.15 0.00 -0.22 0.00 0.00 54.13 52.55 1xoa s LEU 80 Cb -0.14 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 1xoa s LEU 80 CO -0.01 -0.74 0.39 -0.36 -1.32 0.00 0.00 176.35 174.31 1xoa s PHE 81 N 1.96 3.31 -0.25 5.38 0.40 0.61 -0.12 117.98 129.27 1xoa s PHE 81 Ca 0.07 0.51 0.00 0.00 -0.60 0.00 0.00 56.93 56.92 1xoa s PHE 81 Cb -0.23 -2.55 0.04 0.00 0.51 0.00 0.00 43.02 40.79 1xoa s PHE 81 CO 0.08 -0.12 -0.09 0.15 0.70 0.00 0.00 175.22 175.94 1xoa s LYS 82 N 1.71 2.63 -1.49 0.44 1.02 0.26 -0.62 119.74 123.70 1xoa s LYS 82 Ca 0.17 -1.10 -0.09 0.00 0.02 0.00 0.00 55.97 54.97 1xoa s LYS 82 Cb -0.15 -2.92 0.06 0.00 -0.52 0.00 0.00 37.83 34.31 1xoa s LYS 82 CO 0.09 -0.45 0.78 -1.71 -0.92 0.00 0.00 175.35 173.14 1xoa n ASN 83 N 4.58 -2.90 0.00 2.83 5.15 0.12 -0.70 115.26 124.35 1xoa n ASN 83 Ca -0.16 -0.87 0.00 0.00 -0.60 0.00 0.00 54.58 52.95 1xoa n ASN 83 Cb 0.46 -3.59 0.00 0.00 -0.53 0.00 0.00 39.78 36.12 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 -1.67 2.84 3.67 8.20 0.00 -1.16 -4.81 105.19 112.26 1xoa n GLY 84 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 4.26 -0.30 1.61 0.41 0.13 -4.87 118.70 119.94 1xoa s GLU 85 Ca 0.00 0.84 -0.28 0.00 -0.41 0.00 0.00 54.97 55.11 1xoa s GLU 85 Cb 0.00 -3.57 -0.02 0.00 -1.78 0.00 0.00 34.13 28.75 1xoa s GLU 85 CO 0.00 -0.28 1.88 0.08 -0.49 0.00 0.00 175.26 176.45 1xoa s VAL 86 N 2.01 3.39 -0.00 2.63 1.01 -1.26 -0.57 120.40 127.61 1xoa s VAL 86 Ca 0.34 0.40 -0.19 0.00 0.00 0.00 0.00 61.98 62.53 1xoa s VAL 86 Cb -0.16 -3.52 -0.31 0.00 0.00 0.00 0.00 36.38 32.39 1xoa s VAL 86 CO 0.12 -0.33 0.99 0.00 0.00 0.00 0.00 175.10 175.88 1xoa h ALA 87 N 13.21 -0.08 -2.99 5.51 0.00 -0.86 -3.48 119.26 130.57 1xoa h ALA 87 Ca -0.35 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 53.82 1xoa h ALA 87 Cb 1.18 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.98 1xoa h ALA 87 CO 1.01 0.52 0.20 0.00 0.00 0.00 0.00 179.25 180.98 1xoa s ALA 88 N -2.69 -1.47 -0.01 0.00 0.00 -1.23 -5.04 121.76 111.34 1xoa s ALA 88 Ca -0.12 0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.11 1xoa s ALA 88 Cb 0.03 0.87 0.00 0.00 0.00 0.00 0.00 23.12 24.02 1xoa s ALA 88 CO 0.88 -0.83 -0.03 0.95 0.00 0.00 0.00 175.76 176.73 1xoa s THR 89 N -3.80 0.26 -0.10 0.00 -4.23 -1.26 -0.98 115.64 105.54 1xoa s THR 89 Ca 0.04 -0.12 -0.00 0.00 -1.18 0.00 0.00 61.69 60.43 1xoa s THR 89 Cb -0.02 -0.24 0.02 0.00 1.34 0.00 0.00 72.50 73.60 1xoa s THR 89 CO -0.08 0.09 -0.07 -0.75 -0.54 0.00 0.00 174.62 173.27 1xoa s LYS 90 N 0.05 1.39 -0.19 3.99 2.36 0.26 -5.00 119.74 122.60 1xoa s LYS 90 Ca -0.00 -0.22 -0.10 0.00 -2.55 0.00 0.00 55.97 53.10 1xoa s LYS 90 Cb -0.03 -1.43 -0.05 0.00 -1.05 0.00 0.00 37.83 35.27 1xoa s LYS 90 CO -0.00 -0.21 0.14 0.08 1.55 0.00 0.00 175.35 176.91 1xoa s VAL 91 N 1.52 5.41 0.00 4.02 1.01 -1.26 -0.45 120.40 130.65 1xoa s VAL 91 Ca 0.01 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1xoa s VAL 91 Cb -0.13 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1xoa s VAL 91 CO -0.05 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1xoa n GLY 92 N 3.34 0.41 3.74 4.51 0.00 0.63 -5.01 105.19 112.82 1xoa n GLY 92 Ca -0.16 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.45 1.69 0.25 4.61 0.00 -1.26 -4.82 121.76 119.78 1xoa s ALA 93 Ca 0.00 -0.18 -0.22 0.00 0.00 0.00 0.00 51.96 51.56 1xoa s ALA 93 Cb 0.00 -3.14 0.03 0.00 0.00 0.00 0.00 23.12 20.01 1xoa s ALA 93 CO 0.00 -2.23 0.70 -0.48 0.00 0.00 0.00 175.76 173.75 1xoa s LEU 94 N -6.11 -0.32 0.69 0.00 2.34 -1.26 -5.14 118.68 108.88 1xoa s LEU 94 Ca 0.63 -0.48 -0.11 0.00 0.06 0.00 0.00 54.13 54.23 1xoa s LEU 94 Cb -0.17 2.69 0.00 0.00 -0.56 0.00 0.00 46.19 48.15 1xoa s LEU 94 CO 0.56 -1.26 1.06 -0.94 -1.06 0.00 0.00 176.35 174.71 1xoa s SER 95 N -2.88 5.47 0.23 1.48 1.04 -1.26 -4.84 113.70 112.93 1xoa s SER 95 Ca 0.09 1.60 -0.06 0.00 0.48 0.00 0.00 55.95 58.06 1xoa s SER 95 Cb -0.05 -2.49 0.35 0.00 0.10 0.00 0.00 66.02 63.93 1xoa s SER 95 CO 0.03 -1.38 1.81 0.50 0.98 0.00 0.00 173.24 175.17 1xoa h LYS 96 N -0.66 0.74 0.52 4.02 3.64 -1.98 0.76 116.57 123.60 1xoa h LYS 96 Ca -0.44 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.88 1xoa h LYS 96 Cb 1.21 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 1xoa h LYS 96 CO 0.57 0.49 -0.33 0.78 -2.27 0.00 0.00 179.45 178.69 1xoa h GLY 97 N 0.76 -0.88 0.65 5.01 0.00 -1.99 0.95 103.07 107.57 1xoa h GLY 97 Ca 0.37 0.37 0.07 0.00 0.00 0.00 0.00 47.33 48.14 1xoa h GLY 97 CO -0.23 -0.32 0.48 1.46 0.00 0.00 0.00 176.54 177.93 1xoa h GLN 98 N -0.82 0.83 0.12 4.80 1.08 -1.82 0.52 115.11 119.81 1xoa h GLN 98 Ca -0.06 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1xoa h GLN 98 Cb 0.67 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1xoa h GLN 98 CO 0.05 0.55 -0.07 1.25 -0.95 0.00 0.00 178.83 179.66 1xoa h LEU 99 N 0.85 -0.18 -0.43 1.46 5.85 -0.61 0.15 115.31 122.40 1xoa h LEU 99 Ca 0.37 0.01 0.07 0.00 0.84 0.00 0.00 57.88 59.16 1xoa h LEU 99 Cb 0.24 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 1xoa h LEU 99 CO -0.20 -0.12 0.10 0.11 -0.34 0.00 0.00 178.44 177.99 1xoa h LYS 100 N -0.18 0.23 0.03 1.25 1.57 -0.04 0.71 116.57 120.15 1xoa h LYS 100 Ca -0.01 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1xoa h LYS 100 Cb 0.15 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 1xoa h LYS 100 CO 0.01 0.15 -0.21 0.93 -0.57 0.00 0.00 179.45 179.76 1xoa h GLU 101 N 0.23 -0.34 -0.07 3.15 5.08 -0.59 0.14 114.58 122.17 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 0.25 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 1xoa h GLU 101 CO -0.26 -0.23 -0.21 0.35 -1.00 0.00 0.00 179.01 177.66 1xoa h PHE 102 N -0.35 -0.55 0.21 4.33 3.57 -0.49 0.46 116.94 124.13 1xoa h PHE 102 Ca 0.05 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1xoa h PHE 102 Cb 0.41 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 1xoa h PHE 102 CO -0.24 -0.29 -0.19 -0.07 -2.23 0.00 0.00 178.31 175.30 1xoa h LEU 103 N -0.29 -0.49 -0.25 0.59 3.38 -0.61 -1.07 115.31 116.57 1xoa h LEU 103 Ca 0.08 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.15 1xoa h LEU 103 Cb 0.41 0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 1xoa h LEU 103 CO -0.24 -0.28 -0.14 -0.78 0.09 0.00 0.00 178.44 177.09 1xoa h ASP 104 N -0.42 -0.45 -0.85 -0.43 3.58 -0.54 0.17 116.42 117.48 1xoa h ASP 104 Ca -0.01 0.10 0.10 0.00 0.42 0.00 0.00 57.03 57.65 1xoa h ASP 104 Cb 0.38 0.24 -0.06 0.00 1.72 0.00 0.00 39.33 41.61 1xoa h ASP 104 CO -0.03 -0.17 0.55 0.00 -2.88 0.00 0.00 179.24 176.71 1xoa h ALA 105 N 1.08 1.72 0.05 -0.78 0.00 -0.66 0.87 119.26 121.54 1xoa h ALA 105 Ca 0.14 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1xoa h ALA 105 Cb 0.31 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1xoa h ALA 105 CO -0.32 0.10 -0.48 -0.91 0.00 0.00 0.00 179.25 177.63 1xoa h ASN 106 N 0.79 0.33 -0.35 0.00 2.35 -0.14 -3.31 115.58 115.27 1xoa h ASN 106 Ca 0.40 -0.88 0.02 0.00 -0.55 0.00 0.00 56.30 55.29 1xoa h ASN 106 Cb 0.48 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 1xoa h ASN 106 CO -0.17 1.18 0.18 -0.07 -1.65 0.00 0.00 177.43 176.90 1xoa h LEU 107 N -0.47 0.27 0.00 1.61 3.38 -0.41 -3.52 115.31 116.18 1xoa h LEU 107 Ca -0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1xoa h LEU 107 Cb 1.30 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1xoa h LEU 107 CO 0.09 0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.82