#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 3.40 -2.53 4.04 9.92 -1.26 -4.31 116.55 125.80 1xoa n ASP 2 Ca 0.00 -2.69 -0.24 0.00 -0.53 0.00 0.00 54.79 51.33 1xoa n ASP 2 Cb 0.00 -1.29 0.00 0.00 -0.64 0.00 0.00 41.12 39.19 1xoa n ASP 2 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1xoa n LYS 3 N 6.33 3.01 -4.43 -1.24 5.02 -1.26 -5.04 118.16 120.55 1xoa n LYS 3 Ca 0.51 -4.30 -0.34 0.00 -2.02 0.00 0.00 58.31 52.16 1xoa n LYS 3 Cb 0.37 -2.07 -0.10 0.00 -0.02 0.00 0.00 35.03 33.20 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 -5.06 4.08 0.27 -0.18 1.01 -1.26 -4.51 121.20 115.55 1xoa s ILE 4 Ca 0.44 -0.32 -0.18 0.00 0.00 0.00 0.00 60.65 60.59 1xoa s ILE 4 Cb 0.41 -2.72 -0.09 0.00 0.01 0.00 0.00 42.46 40.07 1xoa s ILE 4 CO -0.15 0.57 0.73 -0.63 0.00 0.00 0.00 174.94 175.47 1xoa s ILE 5 N -0.55 4.62 -0.38 2.92 1.01 -0.30 -4.92 121.20 123.60 1xoa s ILE 5 Ca 0.09 1.14 0.01 0.00 0.00 0.00 0.00 60.65 61.89 1xoa s ILE 5 Cb -0.12 -3.75 0.11 0.00 0.01 0.00 0.00 42.46 38.71 1xoa s ILE 5 CO 0.02 0.03 0.12 -1.00 0.00 0.00 0.00 174.94 174.12 1xoa s HIS 6 N -1.73 3.67 0.51 3.97 3.76 -1.26 0.15 115.29 124.37 1xoa s HIS 6 Ca 0.48 -2.79 -0.03 0.00 -0.15 0.00 0.00 55.06 52.57 1xoa s HIS 6 Cb -0.14 -3.04 0.00 0.00 1.11 0.00 0.00 32.58 30.51 1xoa s HIS 6 CO 0.19 -0.95 0.78 -0.51 -0.85 0.00 0.00 174.74 173.41 1xoa s LEU 7 N 0.92 3.46 0.15 0.89 1.43 0.05 -4.99 118.68 120.59 1xoa s LEU 7 Ca 0.10 0.51 0.02 0.00 -1.03 0.00 0.00 54.13 53.73 1xoa s LEU 7 Cb -0.21 -3.37 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 1xoa s LEU 7 CO -0.06 -0.86 -0.03 0.42 0.23 0.00 0.00 176.35 176.06 1xoa s THR 8 N -2.76 0.71 0.21 5.49 -4.23 -1.26 -4.31 115.64 109.49 1xoa s THR 8 Ca 0.51 -1.97 -0.09 0.00 -1.18 0.00 0.00 61.69 58.96 1xoa s THR 8 Cb -0.10 -1.96 0.14 0.00 1.34 0.00 0.00 72.50 71.92 1xoa s THR 8 CO 0.41 -0.62 1.78 -0.78 -0.54 0.00 0.00 174.62 174.88 1xoa h ASP 9 N 2.79 0.44 -0.57 3.99 3.58 -1.93 0.90 116.42 125.61 1xoa h ASP 9 Ca -0.36 0.05 0.03 0.00 0.42 0.00 0.00 57.03 57.16 1xoa h ASP 9 Cb 1.19 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 42.17 1xoa h ASP 9 CO 0.63 0.27 0.34 0.44 -2.88 0.00 0.00 179.24 178.04 1xoa h ASP 10 N 0.58 0.55 0.72 2.28 5.19 -2.01 -2.95 116.42 120.78 1xoa h ASP 10 Ca 0.30 0.01 -0.23 0.00 -0.62 0.00 0.00 57.03 56.49 1xoa h ASP 10 Cb 0.27 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 1xoa h ASP 10 CO -0.23 0.38 -1.04 0.77 -3.12 0.00 0.00 179.24 176.01 1xoa h SER 11 N 0.67 0.24 -0.61 6.45 4.64 -1.82 -3.38 113.55 119.74 1xoa h SER 11 Ca 0.23 -0.23 0.10 0.00 -0.47 0.00 0.00 61.79 61.42 1xoa h SER 11 Cb 0.03 -0.08 -0.10 0.00 -0.31 0.00 0.00 62.40 61.95 1xoa h SER 11 CO -0.10 1.13 -0.22 0.33 -0.87 0.00 0.00 176.83 177.09 1xoa n PHE 12 N -3.52 0.06 0.25 4.77 7.35 0.26 -0.56 117.46 126.06 1xoa n PHE 12 Ca -0.04 0.75 -0.16 0.00 -0.76 0.00 0.00 57.45 57.24 1xoa n PHE 12 Cb 0.92 -0.75 -0.08 0.00 0.35 0.00 0.00 39.48 39.92 1xoa n PHE 12 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1xoa h ASP 13 N 0.00 -1.18 -0.58 -2.13 3.58 -1.75 0.29 116.42 114.65 1xoa h ASP 13 Ca 0.23 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.76 1xoa h ASP 13 Cb 0.38 0.39 -0.03 0.00 1.72 0.00 0.00 39.33 41.79 1xoa h ASP 13 CO -0.61 -0.57 0.30 0.71 -2.88 0.00 0.00 179.24 176.19 1xoa h THR 14 N -0.86 1.20 0.01 2.25 1.35 -1.61 0.36 112.91 115.60 1xoa h THR 14 Ca -0.05 -0.52 -0.19 0.00 -0.55 0.00 0.00 66.41 65.10 1xoa h THR 14 Cb 0.75 0.48 -0.02 0.00 -1.73 0.00 0.00 68.15 67.63 1xoa h THR 14 CO -0.05 0.22 -0.91 0.44 -0.25 0.00 0.00 175.52 174.97 1xoa h ASP 15 N 0.78 0.10 0.00 5.36 5.19 -0.73 -3.34 116.42 123.77 1xoa h ASP 15 Ca 0.20 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1xoa h ASP 15 Cb 0.07 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.55 1xoa h ASP 15 CO -0.03 0.95 -0.24 0.52 -3.12 0.00 0.00 179.24 177.32 1xoa n VAL 16 N -3.54 1.10 -0.15 -1.35 0.31 0.10 -4.38 118.33 110.42 1xoa n VAL 16 Ca -0.02 0.30 0.03 0.00 -0.01 0.00 0.00 64.34 64.65 1xoa n VAL 16 Cb 0.84 -1.70 0.33 0.00 -0.91 0.00 0.00 33.84 32.41 1xoa n VAL 16 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1xoa h LEU 17 N -0.24 0.69 -1.53 7.52 3.38 -0.76 -0.89 115.31 123.48 1xoa h LEU 17 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1xoa h LEU 17 Cb 0.24 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1xoa h LEU 17 CO 0.00 0.48 0.00 0.29 0.09 0.00 0.00 178.44 179.30 1xoa n LYS 18 N -4.45 1.99 -2.63 1.13 5.02 -0.08 -3.68 118.16 115.46 1xoa n LYS 18 Ca 0.08 -1.50 -0.42 0.00 -2.02 0.00 0.00 58.31 54.45 1xoa n LYS 18 Cb 0.10 -1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 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 -1.61 2.84 -1.02 7.82 0.00 -0.34 -4.92 121.76 124.53 1xoa s ALA 19 Ca 0.33 -1.50 -0.21 0.00 0.00 0.00 0.00 51.96 50.58 1xoa s ALA 19 Cb 0.18 -4.17 -0.10 0.00 0.00 0.00 0.00 23.12 19.04 1xoa s ALA 19 CO 0.26 -3.17 1.94 -3.47 0.00 0.00 0.00 175.76 171.31 1xoa n ASP 20 N 8.96 3.04 -0.55 0.00 2.03 -1.26 -3.37 116.55 125.40 1xoa n ASP 20 Ca 0.02 -2.72 0.00 0.00 0.52 0.00 0.00 54.79 52.61 1xoa n ASP 20 Cb 0.48 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.44 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 5.02 0.89 3.29 0.27 0.00 -1.26 -4.92 105.19 108.48 1xoa n GLY 21 Ca 0.48 -0.74 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 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 3.09 -0.17 4.61 0.00 -1.26 -0.88 121.76 126.15 1xoa s ALA 22 Ca 0.00 -1.74 -0.03 0.00 0.00 0.00 0.00 51.96 50.20 1xoa s ALA 22 Cb 0.00 -2.33 -0.02 0.00 0.00 0.00 0.00 23.12 20.77 1xoa s ALA 22 CO 0.00 -1.34 -0.07 0.42 0.00 0.00 0.00 175.76 174.77 1xoa s ILE 23 N 1.43 3.51 -0.44 0.00 1.01 0.28 -0.45 121.20 126.54 1xoa s ILE 23 Ca -0.01 -0.48 -0.10 0.00 0.00 0.00 0.00 60.65 60.06 1xoa s ILE 23 Cb -0.19 -2.54 0.09 0.00 0.01 0.00 0.00 42.46 39.83 1xoa s ILE 23 CO 0.04 0.48 0.30 -0.22 0.00 0.00 0.00 174.94 175.54 1xoa s LEU 24 N 0.67 5.39 -0.28 2.97 2.96 -0.06 -0.22 118.68 130.11 1xoa s LEU 24 Ca -0.04 -1.65 -0.20 0.00 -0.22 0.00 0.00 54.13 52.02 1xoa s LEU 24 Cb -0.15 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.52 1xoa s LEU 24 CO 0.02 -0.60 0.61 -0.69 -1.32 0.00 0.00 176.35 174.37 1xoa s VAL 25 N 1.41 4.97 -0.45 1.68 1.01 0.37 -0.31 120.40 129.09 1xoa s VAL 25 Ca 0.04 0.93 -0.18 0.00 0.00 0.00 0.00 61.98 62.78 1xoa s VAL 25 Cb -0.24 -3.95 0.04 0.00 0.00 0.00 0.00 36.38 32.22 1xoa s VAL 25 CO 0.01 -0.06 0.49 -0.62 0.00 0.00 0.00 175.10 174.92 1xoa s ASP 26 N 1.58 6.20 -0.18 3.32 3.68 0.53 -0.73 116.67 131.06 1xoa s ASP 26 Ca 0.25 -0.84 -0.29 0.00 2.13 0.00 0.00 52.55 53.80 1xoa s ASP 26 Cb -0.15 -2.24 0.00 0.00 -1.45 0.00 0.00 42.92 39.08 1xoa s ASP 26 CO 0.10 -0.68 1.04 -0.36 0.13 0.00 0.00 175.17 175.41 1xoa s PHE 27 N 2.21 3.37 0.36 -5.34 0.40 0.18 -1.17 117.98 117.99 1xoa s PHE 27 Ca 0.12 1.49 0.07 0.00 -0.60 0.00 0.00 56.93 58.00 1xoa s PHE 27 Cb -0.19 -3.26 -0.03 0.00 0.51 0.00 0.00 43.02 40.06 1xoa s PHE 27 CO 0.12 -0.46 0.25 1.67 0.70 0.00 0.00 175.22 177.49 1xoa s TRP 28 N 2.82 1.78 0.01 0.36 1.48 0.03 -2.97 118.94 122.45 1xoa s TRP 28 Ca 0.46 -1.59 -0.21 0.00 -1.06 0.00 0.00 56.10 53.70 1xoa s TRP 28 Cb -0.16 -0.83 0.04 0.00 -1.16 0.00 0.00 33.47 31.36 1xoa s TRP 28 CO 0.10 -0.74 0.47 0.00 -4.06 0.00 0.00 176.95 172.72 1xoa s ALA 29 N -3.36 -1.20 0.37 2.67 0.00 -1.26 -0.59 121.76 118.39 1xoa s ALA 29 Ca 0.36 0.60 0.12 0.00 0.00 0.00 0.00 51.96 53.05 1xoa s ALA 29 Cb 0.02 0.22 0.93 0.00 0.00 0.00 0.00 23.12 24.29 1xoa s ALA 29 CO 0.25 -0.40 1.82 0.93 0.00 0.00 0.00 175.76 178.36 1xoa h GLU 30 N 3.15 0.56 -0.00 0.00 3.07 -2.00 0.39 114.58 119.75 1xoa h GLU 30 Ca -0.30 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 1xoa h GLU 30 Cb 1.19 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 1xoa h GLU 30 CO 0.41 0.37 -0.13 -2.67 -1.40 0.00 0.00 179.01 175.59 1xoa n TRP 31 N -4.61 0.00 -2.54 4.33 4.27 -1.26 -4.70 117.44 112.93 1xoa n TRP 31 Ca 0.21 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.40 1xoa n TRP 31 Cb 0.64 -0.16 -0.00 0.00 -1.36 0.00 0.00 31.31 30.42 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 12.83 -0.83 0.83 0.00 0.00 -1.85 0.11 103.07 114.17 1xoa h GLY 33 Ca 0.44 0.79 0.16 0.00 0.00 0.00 0.00 47.33 48.72 1xoa h GLY 33 CO 1.45 0.04 0.43 -2.55 0.00 0.00 0.00 176.54 175.91 1xoa h PRO 34 N -0.02 0.00 -0.63 4.80 0.11 -1.96 -1.10 132.00 133.20 1xoa h PRO 34 Ca 0.16 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.24 1xoa h PRO 34 Cb 0.42 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.50 1xoa h PRO 34 CO -0.92 0.00 0.28 0.00 -0.21 0.00 0.00 178.00 177.15 1xoa h LYS 36 N 0.87 0.61 -0.46 0.00 6.56 -1.14 0.19 116.57 123.19 1xoa h LYS 36 Ca 0.21 -0.19 -0.02 0.00 -1.06 0.00 0.00 60.65 59.60 1xoa h LYS 36 Cb 0.16 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.74 1xoa h LYS 36 CO -0.02 0.72 0.23 0.52 -2.06 0.00 0.00 179.45 178.84 1xoa h MET 37 N 0.56 0.67 0.00 3.15 2.86 -0.99 -2.81 114.93 118.36 1xoa h MET 37 Ca 0.10 -0.10 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 1xoa h MET 37 Cb 0.55 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1xoa h MET 37 CO 0.03 0.56 -0.45 -0.84 1.06 0.00 0.00 176.91 177.27 1xoa h ILE 38 N 0.61 0.88 -0.87 -1.22 3.07 -0.77 -3.38 117.51 115.83 1xoa h ILE 38 Ca 0.16 -1.91 0.10 0.00 1.55 0.00 0.00 64.86 64.76 1xoa h ILE 38 Cb 0.11 2.20 -0.12 0.00 -0.27 0.00 0.00 36.82 38.74 1xoa h ILE 38 CO -0.02 0.44 -0.45 0.00 -1.05 0.00 0.00 178.15 177.07 1xoa n ALA 39 N -2.26 -0.39 -0.28 0.16 0.00 0.03 -0.02 120.51 117.75 1xoa n ALA 39 Ca 0.01 0.78 0.05 0.00 0.00 0.00 0.00 53.44 54.28 1xoa n ALA 39 Cb 0.63 -0.22 0.27 0.00 0.00 0.00 0.00 19.45 20.13 1xoa n ALA 39 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1xoa h PRO 40 N 0.00 0.93 0.03 0.00 0.13 -1.73 0.94 132.00 132.29 1xoa h PRO 40 Ca 0.20 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1xoa h PRO 40 Cb 0.41 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.33 1xoa h PRO 40 CO -0.83 0.61 -0.02 0.82 -0.23 0.00 0.00 178.00 178.36 1xoa h ILE 41 N 0.95 1.00 -0.69 -3.56 2.04 -0.67 0.59 117.51 117.16 1xoa h ILE 41 Ca 0.39 -0.10 0.08 0.00 1.00 0.00 0.00 64.86 66.23 1xoa h ILE 41 Cb 0.27 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 1xoa h ILE 41 CO -0.15 0.02 0.37 -0.07 0.00 0.00 0.00 178.15 178.32 1xoa h LEU 42 N -0.08 0.51 0.15 1.44 3.38 0.11 0.61 115.31 121.44 1xoa h LEU 42 Ca -0.00 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1xoa h LEU 42 Cb 0.07 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1xoa h LEU 42 CO 0.01 0.31 -0.07 0.44 0.09 0.00 0.00 178.44 179.22 1xoa h ASP 43 N 0.65 -0.18 -0.36 -0.43 3.32 -0.40 0.15 116.42 119.18 1xoa h ASP 43 Ca 0.33 -0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.41 1xoa h ASP 43 Cb 0.28 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.82 1xoa h ASP 43 CO -0.23 -0.08 0.02 -0.33 -1.72 0.00 0.00 179.24 176.91 1xoa h GLU 44 N -0.25 0.13 -0.37 3.56 5.08 -0.42 -1.11 114.58 121.20 1xoa h GLU 44 Ca -0.02 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1xoa h GLU 44 Cb 0.20 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 1xoa h GLU 44 CO 0.03 0.08 0.12 0.82 -1.00 0.00 0.00 179.01 179.07 1xoa h ILE 45 N 0.13 0.89 -0.69 3.13 1.08 -0.68 0.69 117.51 122.05 1xoa h ILE 45 Ca 0.17 -0.09 0.12 0.00 -0.39 0.00 0.00 64.86 64.67 1xoa h ILE 45 Cb 0.23 0.59 -0.08 0.00 -3.07 0.00 0.00 36.82 34.48 1xoa h ILE 45 CO -0.27 0.05 0.27 0.00 -0.69 0.00 0.00 178.15 177.51 1xoa h ALA 46 N 1.24 0.93 0.47 1.87 0.00 0.38 0.17 119.26 124.32 1xoa h ALA 46 Ca 0.17 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1xoa h ALA 46 Cb 0.15 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1xoa h ALA 46 CO -0.18 -0.19 -0.23 0.22 0.00 0.00 0.00 179.25 178.88 1xoa h ASP 47 N 0.44 -0.54 -0.82 0.00 3.58 -0.66 -2.39 116.42 116.04 1xoa h ASP 47 Ca 0.36 -0.07 0.14 0.00 0.42 0.00 0.00 57.03 57.88 1xoa h ASP 47 Cb 0.50 0.14 -0.09 0.00 1.72 0.00 0.00 39.33 41.59 1xoa h ASP 47 CO -0.35 -0.13 0.40 -0.33 -2.88 0.00 0.00 179.24 175.94 1xoa h GLU 48 N -1.04 0.56 -0.64 0.28 5.08 -0.50 -1.39 114.58 116.93 1xoa h GLU 48 Ca -0.06 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1xoa h GLU 48 Cb 0.57 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1xoa h GLU 48 CO 0.11 0.37 0.00 0.66 -1.00 0.00 0.00 179.01 179.15 1xoa n TYR 49 N -4.90 1.59 -1.63 4.33 4.02 0.56 -5.00 117.16 116.13 1xoa n TYR 49 Ca 0.16 -0.59 -0.46 0.00 -0.01 0.00 0.00 57.90 56.99 1xoa n TYR 49 Cb 0.42 -0.33 -0.03 0.00 -0.02 0.00 0.00 39.34 39.38 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 0.86 1.69 0.00 -0.72 10.64 -0.53 -0.62 117.38 128.70 1xoa n GLN 50 Ca 0.24 0.60 0.00 0.00 -1.83 0.00 0.00 57.00 56.02 1xoa n GLN 50 Cb 0.94 -2.20 0.00 0.00 -0.86 0.00 0.00 30.24 28.12 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 2.16 2.87 0.13 2.61 0.00 -1.26 -4.70 105.19 107.01 1xoa n GLY 51 Ca 0.13 0.00 -0.20 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 -0.90 0.65 -4.50 1.61 5.02 0.19 -4.98 118.16 115.25 1xoa n LYS 52 Ca 0.00 0.18 -0.20 0.00 -2.02 0.00 0.00 58.31 56.26 1xoa n LYS 52 Cb 0.00 -1.54 -0.15 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 -6.69 2.02 -0.38 -0.35 2.96 0.21 -4.46 118.68 112.00 1xoa s LEU 53 Ca -0.34 -0.21 -0.06 0.00 -0.22 0.00 0.00 54.13 53.30 1xoa s LEU 53 Cb 0.09 -0.59 0.07 0.00 0.50 0.00 0.00 46.19 46.26 1xoa s LEU 53 CO 0.61 0.14 0.17 -0.89 -1.32 0.00 0.00 176.35 175.06 1xoa s THR 54 N -0.27 3.79 0.14 3.68 2.01 0.40 -4.42 115.64 120.97 1xoa s THR 54 Ca 0.04 -1.43 -0.30 0.00 0.31 0.00 0.00 61.69 60.31 1xoa s THR 54 Cb -0.04 -3.30 -0.06 0.00 0.01 0.00 0.00 72.50 69.10 1xoa s THR 54 CO -0.00 -0.40 0.96 -0.69 -0.69 0.00 0.00 174.62 173.80 1xoa s VAL 55 N 1.35 4.40 0.06 3.82 1.01 -1.26 -0.88 120.40 128.90 1xoa s VAL 55 Ca 0.02 2.06 0.01 0.00 0.00 0.00 0.00 61.98 64.07 1xoa s VAL 55 Cb -0.22 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 1xoa s VAL 55 CO 0.01 0.35 -0.05 0.00 0.00 0.00 0.00 175.10 175.41 1xoa s ALA 56 N -0.23 0.65 0.06 5.51 0.00 0.58 -1.15 121.76 127.17 1xoa s ALA 56 Ca 0.46 -1.09 0.05 0.00 0.00 0.00 0.00 51.96 51.37 1xoa s ALA 56 Cb -0.24 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 1xoa s ALA 56 CO 0.30 -0.22 -0.14 0.15 0.00 0.00 0.00 175.76 175.85 1xoa s LYS 57 N -3.11 0.87 -0.04 0.00 1.02 0.12 -0.35 119.74 118.26 1xoa s LYS 57 Ca 0.02 -0.87 -0.01 0.00 0.02 0.00 0.00 55.97 55.14 1xoa s LYS 57 Cb 0.01 -0.89 0.03 0.00 -0.52 0.00 0.00 37.83 36.46 1xoa s LYS 57 CO -0.05 0.21 0.03 -1.17 -0.92 0.00 0.00 175.35 173.45 1xoa s LEU 58 N -1.47 0.61 -0.49 3.17 0.20 -0.31 -0.77 118.68 119.62 1xoa s LEU 58 Ca -0.00 0.02 -0.24 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 0.02 -0.19 0.88 0.21 -0.29 0.00 0.00 176.35 176.98 1xoa s ASN 59 N 1.69 6.41 0.48 3.68 2.47 -1.26 -0.79 114.94 127.63 1xoa s ASN 59 Ca -0.01 -0.14 0.24 0.00 0.42 0.00 0.00 52.86 53.37 1xoa s ASN 59 Cb -0.13 -2.42 1.22 0.00 -1.45 0.00 0.00 41.25 38.47 1xoa s ASN 59 CO -0.03 -1.06 1.99 0.16 -3.72 0.00 0.00 177.10 174.43 1xoa h ILE 60 N 6.03 0.71 -0.36 -5.21 -0.00 -1.06 0.65 117.51 118.27 1xoa h ILE 60 Ca -0.25 -0.75 -0.01 0.00 -0.00 0.00 0.00 64.86 63.85 1xoa h ILE 60 Cb 1.08 1.46 -0.02 0.00 -0.00 0.00 0.00 36.82 39.35 1xoa h ILE 60 CO 1.03 0.18 0.17 0.44 -0.00 0.00 0.00 178.15 179.96 1xoa h ASP 61 N 0.00 0.47 0.53 2.16 3.32 -1.92 -0.77 116.42 120.21 1xoa h ASP 61 Ca -0.00 -0.13 -0.18 0.00 0.02 0.00 0.00 57.03 56.74 1xoa h ASP 61 Cb 0.45 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1xoa h ASP 61 CO 0.02 0.46 -0.80 1.56 -1.72 0.00 0.00 179.24 178.77 1xoa h GLN 62 N 0.44 0.20 -2.13 3.56 4.20 -1.85 -3.39 115.11 116.13 1xoa h GLN 62 Ca 0.12 -0.19 -0.59 0.00 0.06 0.00 0.00 58.65 58.05 1xoa h GLN 62 Cb 0.12 0.05 -0.41 0.00 0.30 0.00 0.00 27.48 27.54 1xoa h GLN 62 CO -0.02 0.89 -0.77 0.09 -0.67 0.00 0.00 178.83 178.36 1xoa n ASN 63 N -3.71 2.54 0.10 1.46 3.02 0.19 -4.98 115.26 113.89 1xoa n ASN 63 Ca -0.03 -3.19 -0.13 0.00 -0.03 0.00 0.00 54.58 51.20 1xoa n ASN 63 Cb 0.75 -0.66 -0.06 0.00 -0.61 0.00 0.00 39.78 39.20 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 4.13 -0.54 -1.00 3.52 0.11 -1.36 -3.13 132.00 133.74 1xoa h PRO 64 Ca 0.16 0.04 0.38 0.00 0.11 0.00 0.00 66.00 66.69 1xoa h PRO 64 Cb 0.74 0.12 -0.17 0.00 0.11 0.00 0.00 31.00 31.80 1xoa h PRO 64 CO 0.71 -0.36 0.48 0.78 -0.21 0.00 0.00 178.00 179.40 1xoa h GLY 65 N -0.56 2.11 2.00 -0.55 0.00 -1.94 0.45 103.07 104.57 1xoa h GLY 65 Ca 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1xoa h GLY 65 CO -0.23 -0.71 -0.05 -0.84 0.00 0.00 0.00 176.54 174.70 1xoa h THR 66 N 0.06 0.24 0.22 4.70 2.02 -1.93 -2.78 112.91 115.43 1xoa h THR 66 Ca 0.79 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 67.58 1xoa h THR 66 Cb 2.01 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 69.73 1xoa h THR 66 CO -0.76 0.05 -0.11 0.00 0.37 0.00 0.00 175.52 175.08 1xoa h ALA 67 N 1.95 -0.35 -1.01 6.16 0.00 -1.07 -3.32 119.26 121.62 1xoa h ALA 67 Ca -0.00 -0.07 0.25 0.00 0.00 0.00 0.00 54.91 55.09 1xoa h ALA 67 Cb 0.30 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.08 1xoa h ALA 67 CO 0.01 -0.33 0.60 -1.35 0.00 0.00 0.00 179.25 178.18 1xoa h PRO 68 N -0.88 0.55 -1.25 0.00 0.11 -1.68 -0.09 132.00 128.75 1xoa h PRO 68 Ca -0.03 -0.03 0.37 0.00 0.11 0.00 0.00 66.00 66.41 1xoa h PRO 68 Cb 0.23 -0.12 -0.09 0.00 0.11 0.00 0.00 31.00 31.12 1xoa h PRO 68 CO 0.05 0.36 0.84 0.87 -0.21 0.00 0.00 178.00 179.92 1xoa h LYS 69 N 0.57 0.16 0.00 1.05 1.57 -1.58 0.56 116.57 118.89 1xoa h LYS 69 Ca 0.65 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 59.38 1xoa h LYS 69 Cb 1.25 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 33.44 1xoa h LYS 69 CO -0.47 0.10 -0.60 0.66 -0.57 0.00 0.00 179.45 178.57 1xoa n TYR 70 N -4.48 0.00 -3.73 -1.35 4.01 -0.22 -4.99 117.16 106.40 1xoa n TYR 70 Ca 0.31 -1.27 -0.29 0.00 -0.16 0.00 0.00 57.90 56.49 1xoa n TYR 70 Cb 1.25 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 40.05 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 -0.78 -0.48 3.56 2.72 0.00 0.19 -4.87 105.19 105.53 1xoa n GLY 71 Ca 0.16 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.13 4.06 -1.66 -0.61 1.01 -0.22 -4.75 121.20 115.90 1xoa s ILE 72 Ca 0.57 -1.34 0.28 0.00 0.00 0.00 0.00 60.65 60.16 1xoa s ILE 72 Cb -0.30 -5.11 0.40 0.00 0.01 0.00 0.00 42.46 37.46 1xoa s ILE 72 CO 0.70 -1.96 1.78 0.54 0.00 0.00 0.00 174.94 175.99 1xoa n ARG 73 N 8.52 0.72 -3.93 2.79 5.12 -1.26 -4.54 116.66 124.07 1xoa n ARG 73 Ca 0.40 -0.30 -0.09 0.00 -1.93 0.00 0.00 57.85 55.92 1xoa n ARG 73 Cb 0.49 -1.49 -0.06 0.00 -1.16 0.00 0.00 32.46 30.23 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 -2.49 0.41 0.06 -0.13 0.00 -1.26 -5.19 107.32 98.72 1xoa s GLY 74 Ca 0.27 -0.78 -0.09 0.00 0.00 0.00 0.00 44.72 44.13 1xoa s GLY 74 CO 0.49 -0.67 0.19 -0.26 0.00 0.00 0.00 173.10 172.84 1xoa s ILE 75 N -3.97 0.12 0.36 0.90 -4.36 -1.26 -4.47 121.20 108.52 1xoa s ILE 75 Ca 0.18 -1.02 -0.28 0.00 -0.26 0.00 0.00 60.65 59.28 1xoa s ILE 75 Cb 0.01 -1.08 -0.10 0.00 1.25 0.00 0.00 42.46 42.54 1xoa s ILE 75 CO 0.03 -0.56 1.29 -2.16 0.24 0.00 0.00 174.94 173.77 1xoa s PRO 76 N -3.09 4.22 -0.04 0.37 0.04 -1.26 -4.83 135.00 130.41 1xoa s PRO 76 Ca -0.01 2.16 -0.02 0.00 0.04 0.00 0.00 61.00 63.17 1xoa s PRO 76 Cb 0.01 -2.95 0.03 0.00 0.04 0.00 0.00 34.50 31.63 1xoa s PRO 76 CO -0.07 -0.28 0.05 0.99 0.04 0.00 0.00 177.00 177.73 1xoa s THR 77 N -1.20 -0.04 -0.22 1.26 2.01 -1.16 -0.26 115.64 116.03 1xoa s THR 77 Ca 0.52 0.35 -0.10 0.00 0.31 0.00 0.00 61.69 62.77 1xoa s THR 77 Cb -0.38 -0.18 -0.05 0.00 0.01 0.00 0.00 72.50 71.89 1xoa s THR 77 CO 0.50 0.17 0.13 -0.76 -0.69 0.00 0.00 174.62 173.98 1xoa s LEU 78 N 1.94 4.09 -0.19 4.42 1.43 0.39 -0.65 118.68 130.11 1xoa s LEU 78 Ca 0.02 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 1xoa s LEU 78 Cb -0.12 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 44.04 1xoa s LEU 78 CO -0.03 0.13 -0.16 -0.76 0.23 0.00 0.00 176.35 175.75 1xoa s LEU 79 N 0.69 2.38 -0.52 1.79 1.02 0.09 -0.49 118.68 123.65 1xoa s LEU 79 Ca 0.07 -0.64 -0.17 0.00 0.02 0.00 0.00 54.13 53.41 1xoa s LEU 79 Cb -0.12 -1.54 0.09 0.00 0.02 0.00 0.00 46.19 44.64 1xoa s LEU 79 CO 0.01 -0.02 0.51 -0.22 0.02 0.00 0.00 176.35 176.65 1xoa s LEU 80 N 1.32 5.66 -0.26 1.79 2.96 0.19 -0.47 118.68 129.87 1xoa s LEU 80 Ca 0.04 -1.42 -0.16 0.00 -0.22 0.00 0.00 54.13 52.38 1xoa s LEU 80 Cb -0.14 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.27 1xoa s LEU 80 CO -0.10 -0.82 0.40 -0.36 -1.32 0.00 0.00 176.35 174.15 1xoa s PHE 81 N 1.94 3.27 -0.29 5.38 0.40 0.69 -0.21 117.98 129.16 1xoa s PHE 81 Ca 0.07 0.48 -0.08 0.00 -0.60 0.00 0.00 56.93 56.80 1xoa s PHE 81 Cb -0.25 -2.60 -0.00 0.00 0.51 0.00 0.00 43.02 40.68 1xoa s PHE 81 CO 0.06 -0.21 0.11 0.15 0.70 0.00 0.00 175.22 176.03 1xoa s LYS 82 N 2.02 3.29 -1.44 0.44 1.02 0.48 -0.55 119.74 124.99 1xoa s LYS 82 Ca 0.17 -0.74 -0.04 0.00 0.02 0.00 0.00 55.97 55.38 1xoa s LYS 82 Cb -0.16 -3.44 0.03 0.00 -0.52 0.00 0.00 37.83 33.74 1xoa s LYS 82 CO 0.09 -0.39 0.60 -1.71 -0.92 0.00 0.00 175.35 173.02 1xoa n ASN 83 N 4.92 -1.42 0.00 2.83 5.15 -0.06 -0.71 115.26 125.97 1xoa n ASN 83 Ca -0.15 -0.94 0.00 0.00 -0.60 0.00 0.00 54.58 52.90 1xoa n ASN 83 Cb 0.49 -3.35 0.00 0.00 -0.53 0.00 0.00 39.78 36.39 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 -1.78 1.50 3.69 8.20 0.00 -1.24 -4.91 105.19 110.64 1xoa n GLY 84 Ca -0.22 0.00 -0.37 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 -0.11 4.18 -0.33 1.61 0.41 0.11 -4.78 118.70 119.79 1xoa s GLU 85 Ca 0.00 0.06 -0.28 0.00 -0.41 0.00 0.00 54.97 54.35 1xoa s GLU 85 Cb 0.00 -3.50 -0.04 0.00 -1.78 0.00 0.00 34.13 28.81 1xoa s GLU 85 CO 0.00 0.07 2.13 0.08 -0.49 0.00 0.00 175.26 177.06 1xoa s VAL 86 N 0.98 3.14 -0.04 2.63 1.01 -1.26 -0.39 120.40 126.47 1xoa s VAL 86 Ca 0.16 0.13 -0.21 0.00 0.00 0.00 0.00 61.98 62.06 1xoa s VAL 86 Cb -0.14 -3.23 -0.31 0.00 0.00 0.00 0.00 36.38 32.70 1xoa s VAL 86 CO 0.06 -0.17 0.92 0.00 0.00 0.00 0.00 175.10 175.91 1xoa h ALA 87 N 15.48 -0.08 -2.86 5.51 0.00 -0.92 -3.48 119.26 132.91 1xoa h ALA 87 Ca -0.35 -0.70 0.07 0.00 0.00 0.00 0.00 54.91 53.94 1xoa h ALA 87 Cb 1.22 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.04 1xoa h ALA 87 CO 1.04 0.40 0.28 0.00 0.00 0.00 0.00 179.25 180.96 1xoa s ALA 88 N -2.52 -1.38 0.15 0.00 0.00 -1.16 -5.05 121.76 111.80 1xoa s ALA 88 Ca -0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 51.96 51.74 1xoa s ALA 88 Cb 0.01 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 1xoa s ALA 88 CO 0.84 -0.98 0.15 0.95 0.00 0.00 0.00 175.76 176.72 1xoa s THR 89 N -3.76 0.08 -0.18 0.00 -4.23 -1.26 -0.64 115.64 105.66 1xoa s THR 89 Ca 0.09 -1.75 -0.06 0.00 -1.18 0.00 0.00 61.69 58.79 1xoa s THR 89 Cb -0.04 -2.04 0.08 0.00 1.34 0.00 0.00 72.50 71.84 1xoa s THR 89 CO 0.02 -0.35 0.38 -0.75 -0.54 0.00 0.00 174.62 173.38 1xoa s LYS 90 N -4.04 0.28 -0.17 3.99 2.36 0.36 -4.99 119.74 117.52 1xoa s LYS 90 Ca 0.24 0.94 -0.11 0.00 -2.55 0.00 0.00 55.97 54.49 1xoa s LYS 90 Cb 0.06 0.22 -0.05 0.00 -1.05 0.00 0.00 37.83 37.01 1xoa s LYS 90 CO 0.03 -0.25 0.18 0.08 1.55 0.00 0.00 175.35 176.93 1xoa s VAL 91 N 2.49 5.39 0.00 4.02 1.01 -1.26 -0.46 120.40 131.59 1xoa s VAL 91 Ca -0.01 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1xoa s VAL 91 Cb -0.12 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1xoa s VAL 91 CO -0.12 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1xoa n GLY 92 N 3.23 0.62 3.80 4.51 0.00 0.64 -5.00 105.19 112.98 1xoa n GLY 92 Ca -0.15 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.76 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 -2.51 2.03 0.16 4.61 0.00 -1.26 -4.79 121.76 120.00 1xoa s ALA 93 Ca 0.00 -0.35 -0.23 0.00 0.00 0.00 0.00 51.96 51.38 1xoa s ALA 93 Cb 0.00 -3.07 0.06 0.00 0.00 0.00 0.00 23.12 20.11 1xoa s ALA 93 CO 0.00 -1.98 0.69 -0.48 0.00 0.00 0.00 175.76 173.99 1xoa s LEU 94 N -5.89 -0.45 0.80 0.00 2.34 -1.26 -5.14 118.68 109.08 1xoa s LEU 94 Ca 0.62 -0.16 -0.11 0.00 0.06 0.00 0.00 54.13 54.54 1xoa s LEU 94 Cb -0.15 2.52 0.07 0.00 -0.56 0.00 0.00 46.19 48.08 1xoa s LEU 94 CO 0.54 -1.00 1.09 -0.94 -1.06 0.00 0.00 176.35 174.98 1xoa s SER 95 N -2.76 4.42 0.16 1.48 1.04 -1.26 -4.82 113.70 111.95 1xoa s SER 95 Ca 0.04 1.39 -0.16 0.00 0.48 0.00 0.00 55.95 57.70 1xoa s SER 95 Cb -0.02 -2.12 0.10 0.00 0.10 0.00 0.00 66.02 64.07 1xoa s SER 95 CO -0.07 -2.03 1.69 0.50 0.98 0.00 0.00 173.24 174.31 1xoa h LYS 96 N -1.13 0.06 0.24 4.02 1.63 -1.98 0.20 116.57 119.61 1xoa h LYS 96 Ca -0.47 -0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.33 1xoa h LYS 96 Cb 1.26 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.85 1xoa h LYS 96 CO 0.58 0.04 -0.29 0.78 -3.45 0.00 0.00 179.45 177.11 1xoa h GLY 97 N 0.07 -0.62 0.47 5.01 0.00 -1.99 0.12 103.07 106.13 1xoa h GLY 97 Ca 0.19 0.33 0.07 0.00 0.00 0.00 0.00 47.33 47.92 1xoa h GLY 97 CO -0.34 -0.25 0.10 1.46 0.00 0.00 0.00 176.54 177.51 1xoa h GLN 98 N -0.58 0.23 -0.05 4.80 4.20 -1.83 -0.15 115.11 121.74 1xoa h GLN 98 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1xoa h GLN 98 Cb 0.55 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 1xoa h GLN 98 CO -0.09 0.15 0.03 1.25 -0.67 0.00 0.00 178.83 179.50 1xoa h LEU 99 N 0.24 0.04 -0.28 1.46 5.85 -0.65 0.71 115.31 122.68 1xoa h LEU 99 Ca 0.22 0.00 0.06 0.00 0.84 0.00 0.00 57.88 59.00 1xoa h LEU 99 Cb 0.26 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 1xoa h LEU 99 CO -0.27 0.03 -0.12 0.11 -0.34 0.00 0.00 178.44 177.85 1xoa h LYS 100 N 0.06 -0.07 0.02 1.25 1.57 -0.24 0.38 116.57 119.53 1xoa h LYS 100 Ca 0.02 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1xoa h LYS 100 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1xoa h LYS 100 CO -0.01 -0.05 -0.01 0.93 -0.57 0.00 0.00 179.45 179.74 1xoa h GLU 101 N -0.08 -0.03 -0.04 3.15 4.39 -0.78 0.92 114.58 122.12 1xoa h GLU 101 Ca 0.14 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.88 1xoa h GLU 101 Cb 0.30 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.90 1xoa h GLU 101 CO -0.33 -0.01 -0.27 0.35 -1.16 0.00 0.00 179.01 177.59 1xoa h PHE 102 N -0.03 -0.73 -0.05 4.33 3.57 -0.48 0.11 116.94 123.66 1xoa h PHE 102 Ca -0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1xoa h PHE 102 Cb 0.03 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1xoa h PHE 102 CO -0.08 -0.36 -0.00 -0.07 -2.23 0.00 0.00 178.31 175.57 1xoa h LEU 103 N -0.39 -0.03 0.01 0.59 3.38 -0.78 -0.18 115.31 117.92 1xoa h LEU 103 Ca 0.07 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1xoa h LEU 103 Cb 0.50 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1xoa h LEU 103 CO -0.26 -0.01 -0.22 -0.78 0.09 0.00 0.00 178.44 177.26 1xoa h ASP 104 N 0.01 -0.65 -1.01 -0.43 3.58 -0.51 0.17 116.42 117.58 1xoa h ASP 104 Ca 0.02 0.09 0.08 0.00 0.42 0.00 0.00 57.03 57.65 1xoa h ASP 104 Cb 0.03 0.27 -0.07 0.00 1.72 0.00 0.00 39.33 41.27 1xoa h ASP 104 CO -0.04 -0.29 0.65 0.00 -2.88 0.00 0.00 179.24 176.67 1xoa h ALA 105 N 0.50 1.44 0.09 -0.78 0.00 -0.58 0.10 119.26 120.04 1xoa h ALA 105 Ca 0.06 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.73 1xoa h ALA 105 Cb 0.43 -0.28 0.02 0.00 0.00 0.00 0.00 17.79 17.97 1xoa h ALA 105 CO -0.20 0.38 -0.93 -0.91 0.00 0.00 0.00 179.25 177.59 1xoa h ASN 106 N 1.13 0.67 -0.42 0.00 2.35 -0.52 -3.27 115.58 115.52 1xoa h ASN 106 Ca 0.45 -0.84 -0.02 0.00 -0.55 0.00 0.00 56.30 55.34 1xoa h ASN 106 Cb 0.27 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1xoa h ASN 106 CO -0.20 1.43 0.17 -0.07 -1.65 0.00 0.00 177.43 177.11 1xoa h LEU 107 N -0.01 0.57 0.00 1.61 3.38 -0.47 -3.51 115.31 116.88 1xoa h LEU 107 Ca -0.14 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1xoa h LEU 107 Cb 1.66 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.26 1xoa h LEU 107 CO 0.18 0.58 0.00 0.00 0.09 0.00 0.00 178.44 179.29