#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xoa n ASP 2 N 0.00 0.00 -2.22 6.43 2.03 -1.26 -0.52 116.55 121.01 1xoa n ASP 2 Ca 0.00 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.27 1xoa n ASP 2 Cb 0.00 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.45 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 1.82 -3.42 -0.67 5.02 -1.26 -5.08 118.16 114.57 1xoa n LYS 3 Ca 0.00 -3.36 -0.38 0.00 -2.02 0.00 0.00 58.31 52.55 1xoa n LYS 3 Cb 0.00 -1.46 -0.06 0.00 -0.02 0.00 0.00 35.03 33.49 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 -3.23 4.92 -0.22 -0.18 1.01 0.33 -4.56 121.20 119.27 1xoa s ILE 4 Ca 0.35 0.97 -0.20 0.00 0.00 0.00 0.00 60.65 61.77 1xoa s ILE 4 Cb 0.36 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 1xoa s ILE 4 CO -0.05 0.57 0.58 -0.63 0.00 0.00 0.00 174.94 175.41 1xoa s ILE 5 N -1.10 5.04 -1.06 2.92 -1.09 0.11 -4.65 121.20 121.37 1xoa s ILE 5 Ca 0.26 1.07 -0.13 0.00 -2.23 0.00 0.00 60.65 59.62 1xoa s ILE 5 Cb -0.18 -3.90 0.22 0.00 -1.58 0.00 0.00 42.46 37.02 1xoa s ILE 5 CO 0.15 0.11 1.15 -1.00 -1.23 0.00 0.00 174.94 174.12 1xoa s HIS 6 N 2.01 3.80 0.95 3.97 3.76 -1.26 -0.60 115.29 127.92 1xoa s HIS 6 Ca 0.26 -2.23 -0.12 0.00 -0.15 0.00 0.00 55.06 52.82 1xoa s HIS 6 Cb -0.16 -4.03 0.16 0.00 1.11 0.00 0.00 32.58 29.66 1xoa s HIS 6 CO 0.10 -1.16 1.09 -0.51 -0.85 0.00 0.00 174.74 173.40 1xoa s LEU 7 N 0.36 2.01 0.20 0.89 1.43 -1.25 -5.02 118.68 117.30 1xoa s LEU 7 Ca 0.32 1.48 0.06 0.00 -1.03 0.00 0.00 54.13 54.96 1xoa s LEU 7 Cb -0.07 -3.80 -0.05 0.00 0.03 0.00 0.00 46.19 42.30 1xoa s LEU 7 CO -0.06 -2.94 -0.11 0.42 0.23 0.00 0.00 176.35 173.89 1xoa s THR 8 N -2.87 1.49 0.20 5.49 -4.23 -1.26 -4.49 115.64 109.97 1xoa s THR 8 Ca 0.65 -2.14 -0.10 0.00 -1.18 0.00 0.00 61.69 58.91 1xoa s THR 8 Cb -0.19 -2.07 0.13 0.00 1.34 0.00 0.00 72.50 71.71 1xoa s THR 8 CO 0.58 -0.57 1.78 -0.78 -0.54 0.00 0.00 174.62 175.09 1xoa h ASP 9 N 2.58 0.39 -0.29 3.99 3.58 -1.94 0.11 116.42 124.84 1xoa h ASP 9 Ca -0.38 0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.12 1xoa h ASP 9 Cb 1.21 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 42.22 1xoa h ASP 9 CO 0.63 0.25 0.18 0.44 -2.88 0.00 0.00 179.24 177.87 1xoa h ASP 10 N 0.54 0.31 1.39 2.28 5.19 -2.01 -3.01 116.42 121.10 1xoa h ASP 10 Ca 0.28 -0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.60 1xoa h ASP 10 Cb 0.25 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 1xoa h ASP 10 CO -0.22 0.22 -0.43 0.77 -3.12 0.00 0.00 179.24 176.46 1xoa h SER 11 N 0.37 0.00 -0.82 6.45 4.64 -1.84 -3.35 113.55 119.00 1xoa h SER 11 Ca 0.11 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.59 1xoa h SER 11 Cb -0.02 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 61.91 1xoa h SER 11 CO -0.04 0.43 -0.21 0.33 -0.87 0.00 0.00 176.83 176.47 1xoa n PHE 12 N -3.27 0.28 0.19 4.77 -0.00 0.33 -0.59 117.46 119.18 1xoa n PHE 12 Ca 0.02 1.00 -0.12 0.00 -0.00 0.00 0.00 57.45 58.35 1xoa n PHE 12 Cb 0.67 -0.97 -0.06 0.00 -0.00 0.00 0.00 39.48 39.12 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 -0.88 -0.49 -2.13 3.58 -1.74 0.45 116.42 115.21 1xoa h ASP 13 Ca 0.39 0.07 0.02 0.00 0.42 0.00 0.00 57.03 57.92 1xoa h ASP 13 Cb 0.59 0.29 -0.03 0.00 1.72 0.00 0.00 39.33 41.90 1xoa h ASP 13 CO -0.85 -0.43 0.32 0.74 -2.88 0.00 0.00 179.24 176.15 1xoa h THR 14 N -0.65 1.09 0.00 2.25 2.02 -1.52 -1.72 112.91 114.37 1xoa h THR 14 Ca -0.04 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1xoa h THR 14 Cb 0.56 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1xoa h THR 14 CO -0.03 0.11 -0.07 0.44 0.37 0.00 0.00 175.52 176.34 1xoa h ASP 15 N 0.60 0.00 0.12 4.18 3.32 -0.66 -3.36 116.42 120.62 1xoa h ASP 15 Ca 0.19 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.08 1xoa h ASP 15 Cb 0.01 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.58 1xoa h ASP 15 CO -0.04 0.24 -0.67 0.58 -1.72 0.00 0.00 179.24 177.62 1xoa h VAL 16 N -0.41 1.56 -0.02 -1.35 2.07 -0.21 -2.88 116.25 115.02 1xoa h VAL 16 Ca 0.00 -2.50 -0.05 0.00 0.82 0.00 0.00 66.70 64.97 1xoa h VAL 16 Cb 0.07 3.23 -0.01 0.00 -1.52 0.00 0.00 31.29 33.06 1xoa h VAL 16 CO 0.00 0.70 -0.23 -0.07 0.02 0.00 0.00 177.57 177.98 1xoa h LEU 17 N -0.48 0.03 -3.63 2.57 3.38 -0.91 0.22 115.31 116.49 1xoa h LEU 17 Ca -0.12 -0.01 -0.43 0.00 0.09 0.00 0.00 57.88 57.42 1xoa h LEU 17 Cb 1.53 -0.01 -0.25 0.00 0.09 0.00 0.00 40.66 42.02 1xoa h LEU 17 CO 0.13 0.27 0.54 0.29 0.09 0.00 0.00 178.44 179.75 1xoa n LYS 18 N -4.25 2.03 -1.31 1.13 4.76 -1.10 -2.17 118.16 117.25 1xoa n LYS 18 Ca -0.02 -2.45 -0.33 0.00 -2.87 0.00 0.00 58.31 52.63 1xoa n LYS 18 Cb 0.30 -1.96 -0.09 0.00 -1.84 0.00 0.00 35.03 31.44 1xoa n LYS 18 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xoa n ALA 19 N -0.82 1.58 -1.70 7.82 0.00 0.04 -4.86 120.51 122.57 1xoa n ALA 19 Ca 0.49 -2.83 -0.43 0.00 0.00 0.00 0.00 53.44 50.66 1xoa n ALA 19 Cb 1.42 -3.56 -0.02 0.00 0.00 0.00 0.00 19.45 17.29 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 12.47 3.13 0.00 0.00 2.03 -1.26 -0.20 116.55 132.72 1xoa n ASP 20 Ca 0.46 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.92 1xoa n ASP 20 Cb 0.44 -1.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.35 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 1.98 1.94 3.64 0.27 0.00 -1.26 -4.71 105.19 107.05 1xoa n GLY 21 Ca 0.10 0.01 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.04 -0.11 4.61 0.00 -1.25 -4.54 121.76 117.44 1xoa s ALA 22 Ca 0.00 2.03 0.03 0.00 0.00 0.00 0.00 51.96 54.02 1xoa s ALA 22 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.62 1xoa s ALA 22 CO 0.00 -0.29 -0.23 0.42 0.00 0.00 0.00 175.76 175.66 1xoa s ILE 23 N 0.67 2.10 -0.47 0.00 1.01 0.20 -0.78 121.20 123.94 1xoa s ILE 23 Ca -0.02 -0.99 -0.12 0.00 0.00 0.00 0.00 60.65 59.52 1xoa s ILE 23 Cb -0.05 -1.81 0.09 0.00 0.01 0.00 0.00 42.46 40.71 1xoa s ILE 23 CO -0.09 0.56 0.36 -0.22 0.00 0.00 0.00 174.94 175.54 1xoa s LEU 24 N 0.49 5.59 -0.44 2.97 1.98 0.05 -0.33 118.68 128.98 1xoa s LEU 24 Ca -0.15 -1.59 -0.21 0.00 -2.89 0.00 0.00 54.13 49.30 1xoa s LEU 24 Cb -0.17 -2.09 0.02 0.00 0.66 0.00 0.00 46.19 44.61 1xoa s LEU 24 CO 0.06 -0.66 0.64 -0.69 -1.89 0.00 0.00 176.35 173.81 1xoa s VAL 25 N 1.51 4.83 -0.48 1.68 1.01 0.40 -0.09 120.40 129.27 1xoa s VAL 25 Ca 0.04 0.11 -0.22 0.00 0.00 0.00 0.00 61.98 61.91 1xoa s VAL 25 Cb -0.25 -4.20 0.03 0.00 0.00 0.00 0.00 36.38 31.96 1xoa s VAL 25 CO 0.03 -0.59 0.76 -0.62 0.00 0.00 0.00 175.10 174.68 1xoa s ASP 26 N 1.99 6.34 -0.27 3.32 2.15 0.35 -0.68 116.67 129.87 1xoa s ASP 26 Ca 0.22 -0.35 -0.29 0.00 0.43 0.00 0.00 52.55 52.56 1xoa s ASP 26 Cb -0.14 -2.37 0.01 0.00 -0.30 0.00 0.00 42.92 40.12 1xoa s ASP 26 CO 0.19 -0.95 1.08 -0.36 -0.17 0.00 0.00 175.17 174.96 1xoa s PHE 27 N 3.22 3.19 0.38 -5.34 0.40 0.16 -0.63 117.98 119.37 1xoa s PHE 27 Ca 0.26 1.29 0.05 0.00 -0.60 0.00 0.00 56.93 57.92 1xoa s PHE 27 Cb -0.14 -3.52 -0.03 0.00 0.51 0.00 0.00 43.02 39.85 1xoa s PHE 27 CO 0.19 -0.74 0.17 1.67 0.70 0.00 0.00 175.22 177.22 1xoa s TRP 28 N 3.49 1.76 0.04 0.36 1.48 0.16 -2.77 118.94 123.46 1xoa s TRP 28 Ca 0.46 -1.40 -0.18 0.00 -1.06 0.00 0.00 56.10 53.92 1xoa s TRP 28 Cb -0.14 -1.02 0.04 0.00 -1.16 0.00 0.00 33.47 31.19 1xoa s TRP 28 CO 0.12 -0.47 0.41 0.00 -4.06 0.00 0.00 176.95 172.95 1xoa s ALA 29 N -3.29 -1.01 0.58 2.67 0.00 -1.26 -0.40 121.76 119.05 1xoa s ALA 29 Ca 0.28 0.32 0.28 0.00 0.00 0.00 0.00 51.96 52.85 1xoa s ALA 29 Cb 0.02 0.34 1.63 0.00 0.00 0.00 0.00 23.12 25.11 1xoa s ALA 29 CO 0.18 -0.45 2.10 0.93 0.00 0.00 0.00 175.76 178.52 1xoa h GLU 30 N 3.03 0.00 -0.01 0.00 3.07 -2.00 0.32 114.58 119.00 1xoa h GLU 30 Ca -0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.55 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 0.43 0.00 -0.26 -2.67 -1.40 0.00 0.00 179.01 175.11 1xoa n TRP 31 N -3.87 0.00 -2.56 4.33 4.27 -1.26 -4.79 117.44 113.56 1xoa n TRP 31 Ca 0.02 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.21 1xoa n TRP 31 Cb 0.32 -0.09 -0.01 0.00 -1.36 0.00 0.00 31.31 30.17 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 -0.79 0.78 0.00 0.00 -1.87 -0.10 103.07 113.91 1xoa h GLY 33 Ca 0.36 0.69 0.17 0.00 0.00 0.00 0.00 47.33 48.55 1xoa h GLY 33 CO 1.44 -0.09 0.44 -2.55 0.00 0.00 0.00 176.54 175.79 1xoa h PRO 34 N -0.25 0.08 -0.48 4.80 0.11 -1.94 0.18 132.00 134.51 1xoa h PRO 34 Ca 0.13 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.17 1xoa h PRO 34 Cb 0.54 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.62 1xoa h PRO 34 CO -0.72 0.05 0.06 0.00 -0.21 0.00 0.00 178.00 177.18 1xoa h LYS 36 N 0.67 0.83 -0.43 0.00 1.57 -0.65 0.60 116.57 119.15 1xoa h LYS 36 Ca 0.14 -0.16 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1xoa h LYS 36 Cb 0.42 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.54 1xoa h LYS 36 CO 0.01 0.73 0.07 1.98 -0.57 0.00 0.00 179.45 181.68 1xoa h MET 37 N 0.75 0.19 0.00 3.15 4.05 -0.69 -2.39 114.93 119.99 1xoa h MET 37 Ca 0.18 -0.01 -0.12 0.00 -0.28 0.00 0.00 59.70 59.47 1xoa h MET 37 Cb 0.23 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 1xoa h MET 37 CO -0.01 0.13 -0.57 -0.84 0.23 0.00 0.00 176.91 175.84 1xoa h ILE 38 N 0.20 1.07 -0.80 1.77 3.07 -0.86 -3.39 117.51 118.58 1xoa h ILE 38 Ca 0.21 -2.27 0.10 0.00 1.55 0.00 0.00 64.86 64.45 1xoa h ILE 38 Cb 0.27 2.37 -0.11 0.00 -0.27 0.00 0.00 36.82 39.08 1xoa h ILE 38 CO -0.29 0.56 -0.39 0.00 -1.05 0.00 0.00 178.15 176.98 1xoa n ALA 39 N -2.28 -0.30 -0.17 0.16 0.00 0.18 0.05 120.51 118.15 1xoa n ALA 39 Ca 0.01 0.73 0.04 0.00 0.00 0.00 0.00 53.44 54.22 1xoa n ALA 39 Cb 0.71 -0.23 0.32 0.00 0.00 0.00 0.00 19.45 20.25 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 0.81 -0.03 0.00 0.13 -1.75 0.17 132.00 131.34 1xoa h PRO 40 Ca 0.20 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1xoa h PRO 40 Cb 0.40 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 31.35 1xoa h PRO 40 CO -0.77 0.53 0.01 0.82 -0.23 0.00 0.00 178.00 178.36 1xoa h ILE 41 N 0.83 1.20 -0.79 -3.56 2.04 -0.62 0.05 117.51 116.66 1xoa h ILE 41 Ca 0.27 -0.60 0.09 0.00 1.00 0.00 0.00 64.86 65.63 1xoa h ILE 41 Cb 0.05 1.55 -0.07 0.00 -0.74 0.00 0.00 36.82 37.61 1xoa h ILE 41 CO -0.07 0.16 0.44 -0.07 0.00 0.00 0.00 178.15 178.60 1xoa h LEU 42 N -0.20 0.62 -0.13 1.44 3.38 -0.05 0.16 115.31 120.52 1xoa h LEU 42 Ca 0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xoa h LEU 42 Cb 0.25 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1xoa h LEU 42 CO 0.00 0.35 0.08 0.44 0.09 0.00 0.00 178.44 179.41 1xoa h ASP 43 N 0.74 0.14 -0.18 -0.43 3.32 -0.41 0.11 116.42 119.70 1xoa h ASP 43 Ca 0.38 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.47 1xoa h ASP 43 Cb 0.37 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1xoa h ASP 43 CO -0.25 0.10 -0.02 -0.08 -1.72 0.00 0.00 179.24 177.27 1xoa h GLU 44 N 0.17 0.03 -0.55 3.56 4.81 0.12 -1.99 114.58 120.73 1xoa h GLU 44 Ca 0.05 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.36 1xoa h GLU 44 Cb -0.01 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.29 1xoa h GLU 44 CO -0.02 0.02 0.19 0.82 -0.73 0.00 0.00 179.01 179.30 1xoa h ILE 45 N 0.03 0.79 -0.62 2.32 1.08 -0.44 0.11 117.51 120.78 1xoa h ILE 45 Ca 0.09 -0.13 0.16 0.00 -0.39 0.00 0.00 64.86 64.59 1xoa h ILE 45 Cb 0.12 0.39 -0.03 0.00 -3.07 0.00 0.00 36.82 34.23 1xoa h ILE 45 CO -0.16 0.07 0.43 0.00 -0.69 0.00 0.00 178.15 177.80 1xoa h ALA 46 N 1.38 2.39 0.00 1.87 0.00 -0.06 0.14 119.26 124.98 1xoa h ALA 46 Ca 0.27 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1xoa h ALA 46 Cb 0.32 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1xoa h ALA 46 CO -0.28 -0.56 -0.13 0.22 0.00 0.00 0.00 179.25 178.50 1xoa h ASP 47 N 0.14 0.00 -0.81 0.00 3.58 -0.66 -2.95 116.42 115.71 1xoa h ASP 47 Ca 0.30 -0.10 0.19 0.00 0.42 0.00 0.00 57.03 57.83 1xoa h ASP 47 Cb 0.98 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 41.92 1xoa h ASP 47 CO -0.04 0.62 0.26 -0.33 -2.88 0.00 0.00 179.24 176.87 1xoa h GLU 48 N -1.00 0.31 -0.54 0.28 5.08 -0.48 -0.68 114.58 117.55 1xoa h GLU 48 Ca -0.01 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 1xoa h GLU 48 Cb 0.22 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.33 1xoa h GLU 48 CO -0.01 0.20 0.12 0.66 -1.00 0.00 0.00 179.01 178.98 1xoa n TYR 49 N -5.12 1.82 -1.67 4.33 4.02 0.45 -5.01 117.16 115.97 1xoa n TYR 49 Ca 0.18 -1.09 -0.46 0.00 -0.01 0.00 0.00 57.90 56.51 1xoa n TYR 49 Cb 0.54 -0.54 -0.04 0.00 -0.02 0.00 0.00 39.34 39.28 1xoa n TYR 49 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1xoa n GLN 50 N -0.27 2.14 0.00 -0.72 -0.06 -0.27 -0.57 117.38 117.63 1xoa n GLN 50 Ca 0.33 0.77 0.00 0.00 -2.00 0.00 0.00 57.00 56.10 1xoa n GLN 50 Cb 1.18 -2.54 0.00 0.00 -4.06 0.00 0.00 30.24 24.82 1xoa n GLN 50 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1xoa n GLY 51 N 3.38 3.05 0.13 1.69 0.00 -1.26 -4.74 105.19 107.44 1xoa n GLY 51 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.84 1.61 5.02 0.26 -4.92 118.16 114.90 1xoa n LYS 52 Ca 0.00 0.22 -0.26 0.00 -2.02 0.00 0.00 58.31 56.25 1xoa n LYS 52 Cb 0.00 -1.52 -0.17 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 -7.07 1.20 -0.47 -0.35 2.96 0.17 -4.10 118.68 111.01 1xoa s LEU 53 Ca -0.36 -0.46 -0.24 0.00 -0.22 0.00 0.00 54.13 52.85 1xoa s LEU 53 Cb 0.12 -0.73 0.03 0.00 0.50 0.00 0.00 46.19 46.10 1xoa s LEU 53 CO 0.55 -0.19 0.84 -0.89 -1.32 0.00 0.00 176.35 175.35 1xoa s THR 54 N 1.77 4.56 0.26 3.68 2.01 0.04 -4.52 115.64 123.44 1xoa s THR 54 Ca 0.03 0.45 -0.29 0.00 0.31 0.00 0.00 61.69 62.18 1xoa s THR 54 Cb -0.14 -4.39 -0.09 0.00 0.01 0.00 0.00 72.50 67.89 1xoa s THR 54 CO -0.07 -0.83 0.96 -0.69 -0.69 0.00 0.00 174.62 173.30 1xoa s VAL 55 N 3.51 4.01 0.03 3.82 1.01 -1.26 -0.77 120.40 130.74 1xoa s VAL 55 Ca 0.31 1.98 0.01 0.00 0.00 0.00 0.00 61.98 64.29 1xoa s VAL 55 Cb -0.12 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.00 1xoa s VAL 55 CO 0.23 0.44 -0.06 0.00 0.00 0.00 0.00 175.10 175.71 1xoa s ALA 56 N -1.23 0.41 -0.27 5.51 0.00 0.87 -0.72 121.76 126.34 1xoa s ALA 56 Ca 0.43 -0.66 -0.01 0.00 0.00 0.00 0.00 51.96 51.72 1xoa s ALA 56 Cb -0.26 0.06 0.08 0.00 0.00 0.00 0.00 23.12 23.01 1xoa s ALA 56 CO 0.32 -0.05 0.05 0.15 0.00 0.00 0.00 175.76 176.23 1xoa s LYS 57 N -1.41 0.92 -0.28 0.00 1.02 0.23 -0.50 119.74 119.72 1xoa s LYS 57 Ca -0.11 -0.98 -0.13 0.00 0.02 0.00 0.00 55.97 54.77 1xoa s LYS 57 Cb -0.09 -2.22 -0.04 0.00 -0.52 0.00 0.00 37.83 34.96 1xoa s LYS 57 CO -0.00 -0.84 0.26 -1.17 -0.92 0.00 0.00 175.35 172.68 1xoa s LEU 58 N 1.57 4.07 -0.56 3.17 0.20 0.20 -3.89 118.68 123.44 1xoa s LEU 58 Ca 0.05 0.06 -0.28 0.00 0.69 0.00 0.00 54.13 54.65 1xoa s LEU 58 Cb -0.18 -2.24 0.03 0.00 -0.43 0.00 0.00 46.19 43.38 1xoa s LEU 58 CO -0.17 -0.12 1.14 0.21 -0.29 0.00 0.00 176.35 177.12 1xoa s ASN 59 N 1.72 6.45 0.31 3.68 3.84 -1.26 -0.66 114.94 129.02 1xoa s ASN 59 Ca 0.10 0.07 0.07 0.00 0.21 0.00 0.00 52.86 53.31 1xoa s ASN 59 Cb -0.16 -2.53 0.52 0.00 -0.55 0.00 0.00 41.25 38.53 1xoa s ASN 59 CO 0.11 -1.40 1.75 0.16 -2.79 0.00 0.00 177.10 174.92 1xoa h ILE 60 N 6.14 1.28 -0.53 -5.21 -0.00 -0.94 0.90 117.51 119.14 1xoa h ILE 60 Ca -0.25 -1.37 0.00 0.00 -0.00 0.00 0.00 64.86 63.24 1xoa h ILE 60 Cb 1.06 1.59 -0.03 0.00 -0.00 0.00 0.00 36.82 39.44 1xoa h ILE 60 CO 1.16 0.41 0.34 0.44 -0.00 0.00 0.00 178.15 180.51 1xoa h ASP 61 N 0.20 0.62 0.47 2.16 3.32 -1.91 -0.29 116.42 120.99 1xoa h ASP 61 Ca 0.02 -0.03 -0.24 0.00 0.02 0.00 0.00 57.03 56.81 1xoa h ASP 61 Cb 0.72 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1xoa h ASP 61 CO 0.05 0.46 -1.04 1.56 -1.72 0.00 0.00 179.24 178.56 1xoa h GLN 62 N 0.72 0.33 -2.26 3.56 1.08 -1.91 -3.38 115.11 113.25 1xoa h GLN 62 Ca 0.19 -0.42 -0.62 0.00 -1.45 0.00 0.00 58.65 56.36 1xoa h GLN 62 Cb -0.06 0.13 -0.41 0.00 -0.05 0.00 0.00 27.48 27.09 1xoa h GLN 62 CO -0.04 1.12 -0.48 0.09 -0.95 0.00 0.00 178.83 178.57 1xoa n ASN 63 N -3.66 4.17 -0.26 1.46 3.02 0.30 -4.91 115.26 115.38 1xoa n ASN 63 Ca -0.07 -3.50 -0.07 0.00 -0.03 0.00 0.00 54.58 50.91 1xoa n ASN 63 Cb 0.90 -0.70 0.05 0.00 -0.61 0.00 0.00 39.78 39.42 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 4.01 1.13 -1.27 3.52 0.13 -1.25 -3.14 132.00 135.13 1xoa h PRO 64 Ca 0.19 -0.25 0.39 0.00 -0.87 0.00 0.00 66.00 65.47 1xoa h PRO 64 Cb 0.62 -0.16 -0.11 0.00 0.13 0.00 0.00 31.00 31.47 1xoa h PRO 64 CO 0.88 0.97 0.83 0.78 -0.23 0.00 0.00 178.00 181.23 1xoa h GLY 65 N 1.07 1.15 2.00 1.56 0.00 -1.91 0.78 103.07 107.73 1xoa h GLY 65 Ca 0.23 -0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.37 1xoa h GLY 65 CO -0.01 -0.30 -0.31 -0.84 0.00 0.00 0.00 176.54 175.09 1xoa h THR 66 N 0.15 0.68 0.62 4.70 2.02 -1.93 -3.35 112.91 115.81 1xoa h THR 66 Ca 0.75 -1.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.49 1xoa h THR 66 Cb 2.34 1.93 -0.00 0.00 -1.74 0.00 0.00 68.15 70.68 1xoa h THR 66 CO -0.35 0.30 -0.37 0.00 0.37 0.00 0.00 175.52 175.47 1xoa h ALA 67 N 1.69 -0.95 -0.47 6.16 0.00 -1.01 -3.10 119.26 121.58 1xoa h ALA 67 Ca -0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1xoa h ALA 67 Cb 0.91 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1xoa h ALA 67 CO 0.04 -1.05 0.14 -1.00 0.00 0.00 0.00 179.25 177.38 1xoa h PRO 68 N -0.93 0.70 -0.85 0.00 0.13 -1.73 -0.02 132.00 129.29 1xoa h PRO 68 Ca -0.08 -0.12 0.21 0.00 -0.87 0.00 0.00 66.00 65.15 1xoa h PRO 68 Cb 0.75 -0.12 -0.13 0.00 0.13 0.00 0.00 31.00 31.64 1xoa h PRO 68 CO 0.08 0.61 0.26 0.87 -0.23 0.00 0.00 178.00 179.59 1xoa h LYS 69 N 0.68 0.27 -0.24 0.86 1.57 -1.66 0.52 116.57 118.56 1xoa h LYS 69 Ca 0.16 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 1xoa h LYS 69 Cb 0.21 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 1xoa h LYS 69 CO -0.01 0.18 -0.07 0.66 -0.57 0.00 0.00 179.45 179.64 1xoa n TYR 70 N -5.16 0.79 -4.04 -1.35 4.01 -1.16 -5.00 117.16 105.25 1xoa n TYR 70 Ca 0.20 -1.26 -0.28 0.00 -0.16 0.00 0.00 57.90 56.40 1xoa n TYR 70 Cb 0.61 -0.36 -0.08 0.00 -0.31 0.00 0.00 39.34 39.21 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 -0.97 -0.16 3.66 2.72 0.00 0.17 -4.74 105.19 105.88 1xoa n GLY 71 Ca 0.26 0.17 -0.60 0.00 0.00 0.00 0.00 46.02 45.84 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 -4.09 0.18 0.03 -0.61 -0.00 -0.11 -4.88 119.36 109.87 1xoa n ILE 72 Ca -0.26 -0.05 -0.19 0.00 -0.00 0.00 0.00 62.75 62.25 1xoa n ILE 72 Cb 0.58 -0.97 -0.14 0.00 -0.00 0.00 0.00 39.64 39.11 1xoa n ILE 72 CO 0.00 0.00 0.00 0.03 -0.00 0.00 0.00 176.55 176.58 1xoa h ARG 73 N 7.16 0.26 -1.39 0.38 3.08 -1.92 -3.48 114.38 118.47 1xoa h ARG 73 Ca -0.41 -0.43 0.12 0.00 0.07 0.00 0.00 59.98 59.33 1xoa h ARG 73 Cb 1.34 0.16 -0.28 0.00 0.08 0.00 0.00 29.97 31.28 1xoa h ARG 73 CO 0.99 1.20 0.64 0.20 -1.07 0.00 0.00 179.97 181.92 1xoa s GLY 74 N -4.37 -0.00 0.15 0.04 0.00 -1.26 -5.17 107.32 96.71 1xoa s GLY 74 Ca -0.14 2.83 -0.13 0.00 0.00 0.00 0.00 44.72 47.28 1xoa s GLY 74 CO 0.81 1.66 0.53 -0.26 0.00 0.00 0.00 173.10 175.84 1xoa s ILE 75 N -0.17 4.91 0.09 0.90 -4.36 -1.26 -3.53 121.20 117.77 1xoa s ILE 75 Ca 0.04 0.70 -0.31 0.00 -0.26 0.00 0.00 60.65 60.83 1xoa s ILE 75 Cb -0.04 -3.70 -0.07 0.00 1.25 0.00 0.00 42.46 39.90 1xoa s ILE 75 CO -0.08 0.19 1.31 -2.16 0.24 0.00 0.00 174.94 174.44 1xoa s PRO 76 N -2.12 4.37 -0.30 0.37 0.04 -1.26 -4.80 135.00 131.30 1xoa s PRO 76 Ca 0.39 1.94 -0.05 0.00 0.04 0.00 0.00 61.00 63.32 1xoa s PRO 76 Cb -0.14 -3.30 0.03 0.00 0.04 0.00 0.00 34.50 31.13 1xoa s PRO 76 CO 0.19 -0.36 0.05 0.99 0.04 0.00 0.00 177.00 177.91 1xoa s THR 77 N 1.14 3.51 -0.71 1.26 2.01 -1.12 -0.60 115.64 121.13 1xoa s THR 77 Ca 0.62 -1.05 -0.15 0.00 0.31 0.00 0.00 61.69 61.41 1xoa s THR 77 Cb -0.33 -2.91 0.17 0.00 0.01 0.00 0.00 72.50 69.44 1xoa s THR 77 CO 0.30 -0.03 0.69 -0.76 -0.69 0.00 0.00 174.62 174.12 1xoa s LEU 78 N 1.38 6.34 -0.35 4.42 1.43 0.49 -0.66 118.68 131.74 1xoa s LEU 78 Ca -0.01 -2.22 -0.18 0.00 -1.03 0.00 0.00 54.13 50.68 1xoa s LEU 78 Cb -0.18 -2.23 -0.00 0.00 0.03 0.00 0.00 46.19 43.80 1xoa s LEU 78 CO 0.01 -0.75 0.53 -0.76 0.23 0.00 0.00 176.35 175.61 1xoa s LEU 79 N 1.04 4.32 -0.50 1.79 1.02 0.14 -0.98 118.68 125.50 1xoa s LEU 79 Ca 0.13 0.02 -0.20 0.00 0.02 0.00 0.00 54.13 54.10 1xoa s LEU 79 Cb -0.18 -2.62 0.05 0.00 0.02 0.00 0.00 46.19 43.46 1xoa s LEU 79 CO -0.03 -0.49 0.66 -0.22 0.02 0.00 0.00 176.35 176.29 1xoa s LEU 80 N 2.44 4.81 -0.25 1.79 2.96 0.10 -0.45 118.68 130.08 1xoa s LEU 80 Ca 0.20 -0.79 -0.10 0.00 -0.22 0.00 0.00 54.13 53.23 1xoa s LEU 80 Cb -0.15 -2.52 -0.04 0.00 0.50 0.00 0.00 46.19 43.97 1xoa s LEU 80 CO 0.13 -0.92 0.14 -0.36 -1.32 0.00 0.00 176.35 174.02 1xoa s PHE 81 N 2.81 3.22 -0.45 5.38 0.40 0.55 -0.05 117.98 129.84 1xoa s PHE 81 Ca 0.18 0.02 -0.10 0.00 -0.60 0.00 0.00 56.93 56.43 1xoa s PHE 81 Cb -0.18 -2.27 0.10 0.00 0.51 0.00 0.00 43.02 41.17 1xoa s PHE 81 CO 0.13 -0.09 0.32 0.15 0.70 0.00 0.00 175.22 176.43 1xoa s LYS 82 N 1.33 2.63 -1.25 0.44 1.02 0.19 -0.62 119.74 123.47 1xoa s LYS 82 Ca 0.06 -1.57 -0.31 0.00 0.02 0.00 0.00 55.97 54.18 1xoa s LYS 82 Cb -0.15 -3.91 0.04 0.00 -0.52 0.00 0.00 37.83 33.29 1xoa s LYS 82 CO 0.06 -1.07 0.61 -1.71 -0.92 0.00 0.00 175.35 172.32 1xoa n ASN 83 N 4.97 -3.58 0.00 2.83 5.15 0.72 -0.40 115.26 124.95 1xoa n ASN 83 Ca -0.10 -1.29 0.00 0.00 -0.60 0.00 0.00 54.58 52.59 1xoa n ASN 83 Cb 0.42 -1.72 0.00 0.00 -0.53 0.00 0.00 39.78 37.95 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 -2.14 2.84 3.60 8.20 0.00 -0.92 -4.75 105.19 112.01 1xoa n GLY 84 Ca -0.13 0.00 -0.43 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 -0.10 3.70 -0.32 1.61 0.41 0.46 -4.96 118.70 119.50 1xoa s GLU 85 Ca 0.00 0.53 -0.28 0.00 -0.41 0.00 0.00 54.97 54.81 1xoa s GLU 85 Cb 0.00 -3.92 -0.03 0.00 -1.78 0.00 0.00 34.13 28.40 1xoa s GLU 85 CO 0.00 -1.42 1.90 0.08 -0.49 0.00 0.00 175.26 175.33 1xoa s VAL 86 N 4.53 3.36 -0.02 2.63 1.01 -1.26 -0.64 120.40 130.01 1xoa s VAL 86 Ca 0.48 0.36 -0.20 0.00 0.00 0.00 0.00 61.98 62.62 1xoa s VAL 86 Cb -0.07 -3.51 -0.31 0.00 0.00 0.00 0.00 36.38 32.49 1xoa s VAL 86 CO 0.31 -0.34 0.96 0.00 0.00 0.00 0.00 175.10 176.03 1xoa h ALA 87 N 13.57 -0.08 -2.96 5.51 0.00 -0.84 -3.49 119.26 130.98 1xoa h ALA 87 Ca -0.35 -0.71 -0.03 0.00 0.00 0.00 0.00 54.91 53.83 1xoa h ALA 87 Cb 1.19 0.10 -0.12 0.00 0.00 0.00 0.00 17.79 18.96 1xoa h ALA 87 CO 1.03 0.45 0.16 0.00 0.00 0.00 0.00 179.25 180.89 1xoa s ALA 88 N -2.61 -1.48 -0.26 0.00 0.00 -1.22 -5.02 121.76 111.17 1xoa s ALA 88 Ca -0.12 0.39 -0.03 0.00 0.00 0.00 0.00 51.96 52.20 1xoa s ALA 88 Cb 0.02 0.86 0.08 0.00 0.00 0.00 0.00 23.12 24.08 1xoa s ALA 88 CO 0.86 -0.75 0.09 0.95 0.00 0.00 0.00 175.76 176.91 1xoa s THR 89 N -3.76 0.43 -0.24 0.00 -4.23 -1.26 -0.72 115.64 105.85 1xoa s THR 89 Ca 0.01 -0.86 -0.20 0.00 -1.18 0.00 0.00 61.69 59.46 1xoa s THR 89 Cb -0.01 -1.19 -0.02 0.00 1.34 0.00 0.00 72.50 72.62 1xoa s THR 89 CO -0.13 -0.52 0.59 -0.75 -0.54 0.00 0.00 174.62 173.27 1xoa s LYS 90 N 1.87 4.12 -0.50 3.99 2.47 -0.16 -4.89 119.74 126.64 1xoa s LYS 90 Ca 0.06 0.48 -0.16 0.00 -1.56 0.00 0.00 55.97 54.78 1xoa s LYS 90 Cb -0.17 -3.63 0.09 0.00 -1.46 0.00 0.00 37.83 32.66 1xoa s LYS 90 CO -0.22 -0.35 0.47 0.08 0.16 0.00 0.00 175.35 175.50 1xoa s VAL 91 N 2.29 5.16 0.00 4.02 1.01 -1.26 -0.38 120.40 131.24 1xoa s VAL 91 Ca 0.25 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1xoa s VAL 91 Cb -0.16 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 31.99 1xoa s VAL 91 CO 0.09 -0.73 0.00 0.61 0.00 0.00 0.00 175.10 175.07 1xoa n GLY 92 N 5.22 2.89 3.76 4.51 0.00 0.24 -5.02 105.19 116.79 1xoa n GLY 92 Ca -0.12 -1.99 -0.30 0.00 0.00 0.00 0.00 46.02 43.62 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 -2.84 1.81 0.13 4.61 0.00 -1.26 -4.83 121.76 119.39 1xoa s ALA 93 Ca 0.00 -0.21 -0.25 0.00 0.00 0.00 0.00 51.96 51.50 1xoa s ALA 93 Cb 0.00 -3.13 0.07 0.00 0.00 0.00 0.00 23.12 20.06 1xoa s ALA 93 CO 0.00 -2.13 0.80 -0.48 0.00 0.00 0.00 175.76 173.95 1xoa s LEU 94 N -6.03 -0.35 0.57 0.00 2.34 -1.26 -5.13 118.68 108.81 1xoa s LEU 94 Ca 0.63 -0.21 0.01 0.00 0.06 0.00 0.00 54.13 54.61 1xoa s LEU 94 Cb -0.16 2.34 0.04 0.00 -0.56 0.00 0.00 46.19 47.85 1xoa s LEU 94 CO 0.55 -0.92 0.79 -0.94 -1.06 0.00 0.00 176.35 174.78 1xoa s SER 95 N -2.75 5.19 0.79 1.48 1.04 -1.26 -4.86 113.70 113.33 1xoa s SER 95 Ca 0.07 -0.07 -0.13 0.00 0.48 0.00 0.00 55.95 56.30 1xoa s SER 95 Cb -0.02 -0.77 0.08 0.00 0.10 0.00 0.00 66.02 65.41 1xoa s SER 95 CO -0.04 -1.21 1.19 -0.75 0.98 0.00 0.00 173.24 173.40 1xoa s LYS 96 N -4.79 1.76 0.00 4.02 2.20 -1.26 -0.82 119.74 120.84 1xoa s LYS 96 Ca 0.58 1.68 0.00 0.00 -0.36 0.00 0.00 55.97 57.87 1xoa s LYS 96 Cb -0.10 -1.80 0.00 0.00 -1.51 0.00 0.00 37.83 34.42 1xoa s LYS 96 CO 0.39 -2.11 0.00 0.41 -0.36 0.00 0.00 175.35 173.68 1xoa n GLY 97 N 0.28 1.89 0.28 5.54 0.00 -1.26 -4.44 105.19 107.47 1xoa n GLY 97 Ca 0.13 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 1xoa n GLY 97 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1xoa h GLN 98 N 0.00 -0.61 -0.29 1.61 7.50 -1.94 0.14 115.11 121.52 1xoa h GLN 98 Ca 0.00 0.04 0.05 0.00 0.50 0.00 0.00 58.65 59.24 1xoa h GLN 98 Cb 0.00 0.14 -0.04 0.00 0.05 0.00 0.00 27.48 27.62 1xoa h GLN 98 CO 0.00 -0.40 0.02 1.25 -1.50 0.00 0.00 178.83 178.19 1xoa h LEU 99 N -0.63 -0.08 -0.46 1.46 5.85 -1.19 -0.32 115.31 119.94 1xoa h LEU 99 Ca -0.06 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.79 1xoa h LEU 99 Cb 0.49 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 1xoa h LEU 99 CO 0.09 -0.00 0.14 0.11 -0.34 0.00 0.00 178.44 178.44 1xoa h LYS 100 N 0.11 0.30 -0.17 1.25 1.57 -1.73 0.51 116.57 118.41 1xoa h LYS 100 Ca 0.14 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1xoa h LYS 100 Cb 0.17 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1xoa h LYS 100 CO -0.22 0.20 0.06 0.93 -0.57 0.00 0.00 179.45 179.85 1xoa h GLU 101 N 0.30 0.26 -0.16 3.15 4.39 -0.36 0.82 114.58 122.99 1xoa h GLU 101 Ca 0.22 -0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.92 1xoa h GLU 101 Cb 0.25 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.80 1xoa h GLU 101 CO -0.25 0.35 -0.19 0.35 -1.16 0.00 0.00 179.01 178.11 1xoa h PHE 102 N 0.12 -0.50 0.07 4.33 3.57 -0.53 0.14 116.94 124.15 1xoa h PHE 102 Ca 0.06 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1xoa h PHE 102 Cb 0.19 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 1xoa h PHE 102 CO -0.01 -0.27 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.67 1xoa h LEU 103 N -0.23 -0.17 -0.23 0.59 3.38 -0.78 -1.34 115.31 116.53 1xoa h LEU 103 Ca 0.11 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.15 1xoa h LEU 103 Cb 0.39 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 1xoa h LEU 103 CO -0.29 -0.10 -0.12 -0.78 0.09 0.00 0.00 178.44 177.24 1xoa h ASP 104 N -0.15 -0.39 -0.72 -0.43 3.58 -0.47 0.13 116.42 117.98 1xoa h ASP 104 Ca 0.00 0.09 0.08 0.00 0.42 0.00 0.00 57.03 57.62 1xoa h ASP 104 Cb 0.14 0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.36 1xoa h ASP 104 CO -0.01 -0.15 0.47 0.00 -2.88 0.00 0.00 179.24 176.67 1xoa h ALA 105 N 1.10 1.78 0.02 -0.78 0.00 -0.53 1.00 119.26 121.86 1xoa h ALA 105 Ca 0.13 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1xoa h ALA 105 Cb 0.28 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1xoa h ALA 105 CO -0.29 0.09 -0.23 -0.91 0.00 0.00 0.00 179.25 177.91 1xoa h ASN 106 N 0.68 0.17 -0.37 0.00 2.35 -0.27 -3.29 115.58 114.84 1xoa h ASN 106 Ca 0.32 -0.87 0.06 0.00 -0.55 0.00 0.00 56.30 55.27 1xoa h ASN 106 Cb 0.37 -0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.63 1xoa h ASN 106 CO -0.11 1.01 0.05 -0.07 -1.65 0.00 0.00 177.43 176.66 1xoa h LEU 107 N -0.66 -0.05 0.00 1.61 3.38 -0.46 -3.52 115.31 115.62 1xoa h LEU 107 Ca -0.03 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1xoa h LEU 107 Cb 1.07 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1xoa h LEU 107 CO 0.04 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.59