#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 -0.49 4.04 2.03 -1.26 -0.56 116.55 120.30 1xoa n ASP 2 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1xoa n ASP 2 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 0.03 -2.74 -0.67 5.02 -1.26 -5.05 118.16 113.49 1xoa n LYS 3 Ca 0.00 -1.04 -0.41 0.00 -2.02 0.00 0.00 58.31 54.84 1xoa n LYS 3 Cb 0.00 -0.52 -0.04 0.00 -0.02 0.00 0.00 35.03 34.45 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 -0.06 4.71 -0.23 -0.18 1.01 0.27 -4.42 121.20 122.30 1xoa s ILE 4 Ca 0.01 2.03 -0.14 0.00 0.00 0.00 0.00 60.65 62.55 1xoa s ILE 4 Cb 0.01 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 1xoa s ILE 4 CO 0.00 0.24 0.33 -0.63 0.00 0.00 0.00 174.94 174.88 1xoa s ILE 5 N 0.52 5.23 -0.47 2.92 -1.09 -0.24 -4.01 121.20 124.07 1xoa s ILE 5 Ca 0.49 0.54 -0.21 0.00 -2.23 0.00 0.00 60.65 59.23 1xoa s ILE 5 Cb -0.22 -3.66 0.03 0.00 -1.58 0.00 0.00 42.46 37.03 1xoa s ILE 5 CO 0.28 0.25 0.72 -1.00 -1.23 0.00 0.00 174.94 173.96 1xoa s HIS 6 N 1.44 3.00 0.47 3.97 3.76 -1.26 -0.32 115.29 126.35 1xoa s HIS 6 Ca 0.15 -0.09 0.01 0.00 -0.15 0.00 0.00 55.06 54.98 1xoa s HIS 6 Cb -0.15 -3.57 0.01 0.00 1.11 0.00 0.00 32.58 29.98 1xoa s HIS 6 CO 0.08 -1.00 0.68 -0.51 -0.85 0.00 0.00 174.74 173.14 1xoa s LEU 7 N 3.06 3.56 0.17 0.89 1.43 -0.06 -4.98 118.68 122.76 1xoa s LEU 7 Ca 0.24 0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.51 1xoa s LEU 7 Cb -0.14 -3.02 -0.05 0.00 0.03 0.00 0.00 46.19 43.01 1xoa s LEU 7 CO 0.19 -0.81 -0.05 0.42 0.23 0.00 0.00 176.35 176.32 1xoa s THR 8 N -2.58 1.00 0.17 5.49 -4.23 -1.26 -4.52 115.64 109.70 1xoa s THR 8 Ca 0.51 -2.03 -0.15 0.00 -1.18 0.00 0.00 61.69 58.85 1xoa s THR 8 Cb -0.10 -2.01 0.06 0.00 1.34 0.00 0.00 72.50 71.80 1xoa s THR 8 CO 0.37 -0.60 1.73 -0.78 -0.54 0.00 0.00 174.62 174.80 1xoa h ASP 9 N 2.70 0.05 -0.29 3.99 3.58 -1.93 0.15 116.42 124.67 1xoa h ASP 9 Ca -0.37 0.07 0.02 0.00 0.42 0.00 0.00 57.03 57.17 1xoa h ASP 9 Cb 1.20 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 42.30 1xoa h ASP 9 CO 0.64 0.06 0.14 0.44 -2.88 0.00 0.00 179.24 177.65 1xoa h ASP 10 N 0.24 0.22 1.36 2.28 5.19 -2.01 -2.97 116.42 120.74 1xoa h ASP 10 Ca 0.20 0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 56.52 1xoa h ASP 10 Cb 0.24 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 1xoa h ASP 10 CO -0.25 0.16 -0.48 0.77 -3.12 0.00 0.00 179.24 176.32 1xoa h SER 11 N 0.30 0.00 -0.80 6.45 4.64 -1.86 -3.38 113.55 118.91 1xoa h SER 11 Ca 0.12 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.59 1xoa h SER 11 Cb 0.04 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.98 1xoa h SER 11 CO -0.08 0.48 -0.23 0.33 -0.87 0.00 0.00 176.83 176.46 1xoa n PHE 12 N -3.28 0.21 0.25 4.77 -0.00 0.47 -0.68 117.46 119.20 1xoa n PHE 12 Ca 0.02 0.97 -0.14 0.00 -0.00 0.00 0.00 57.45 58.29 1xoa n PHE 12 Cb 0.69 -0.91 -0.08 0.00 -0.00 0.00 0.00 39.48 39.19 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 -1.06 -0.75 -2.13 3.58 -1.75 0.26 116.42 114.56 1xoa h ASP 13 Ca 0.35 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.88 1xoa h ASP 13 Cb 0.55 0.34 -0.04 0.00 1.72 0.00 0.00 39.33 41.91 1xoa h ASP 13 CO -0.81 -0.53 0.48 0.74 -2.88 0.00 0.00 179.24 176.24 1xoa h THR 14 N -0.82 1.20 -0.24 2.25 2.02 -1.67 0.77 112.91 116.44 1xoa h THR 14 Ca -0.06 -0.40 -0.17 0.00 0.77 0.00 0.00 66.41 66.56 1xoa h THR 14 Cb 0.70 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1xoa h THR 14 CO -0.02 0.20 -0.50 0.44 0.37 0.00 0.00 175.52 176.01 1xoa h ASP 15 N 1.03 0.85 0.00 4.18 3.32 -0.80 -3.36 116.42 121.64 1xoa h ASP 15 Ca 0.27 -0.55 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1xoa h ASP 15 Cb -0.09 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.22 1xoa h ASP 15 CO -0.06 1.24 -0.42 0.52 -1.72 0.00 0.00 179.24 178.81 1xoa n VAL 16 N -4.11 0.98 -0.23 -1.35 0.31 0.90 -4.30 118.33 110.53 1xoa n VAL 16 Ca -0.05 0.26 0.04 0.00 -0.01 0.00 0.00 64.34 64.58 1xoa n VAL 16 Cb 0.60 -1.82 0.29 0.00 -0.91 0.00 0.00 33.84 32.00 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 -0.42 0.79 -0.89 7.52 3.38 -0.82 -0.63 115.31 124.24 1xoa h LEU 17 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xoa h LEU 17 Cb 0.42 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1xoa h LEU 17 CO 0.00 0.52 0.00 0.29 0.09 0.00 0.00 178.44 179.34 1xoa n LYS 18 N -4.47 1.59 -2.69 1.13 5.02 -0.28 -4.11 118.16 114.37 1xoa n LYS 18 Ca 0.11 -0.88 -0.43 0.00 -2.02 0.00 0.00 58.31 55.09 1xoa n LYS 18 Cb 0.17 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 33.72 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 -1.90 3.09 -1.31 7.82 0.00 -0.24 -4.91 121.76 124.29 1xoa s ALA 19 Ca 0.35 -0.92 -0.10 0.00 0.00 0.00 0.00 51.96 51.29 1xoa s ALA 19 Cb 0.19 -3.89 -0.06 0.00 0.00 0.00 0.00 23.12 19.36 1xoa s ALA 19 CO 0.30 -2.47 2.51 -0.40 0.00 0.00 0.00 175.76 175.69 1xoa n ASP 20 N 7.95 6.33 -0.77 0.00 5.75 -1.26 -3.42 116.55 131.13 1xoa n ASP 20 Ca 0.06 -2.54 0.00 0.00 -0.01 0.00 0.00 54.79 52.30 1xoa n ASP 20 Cb 0.48 -1.39 0.00 0.00 -1.03 0.00 0.00 41.12 39.18 1xoa n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xoa n GLY 21 N 3.80 1.90 3.38 6.12 0.00 -1.26 -4.90 105.19 114.22 1xoa n GLY 21 Ca 0.62 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 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 3.34 -0.20 4.61 0.00 -1.26 -0.41 121.76 126.84 1xoa s ALA 22 Ca 0.00 -1.81 -0.05 0.00 0.00 0.00 0.00 51.96 50.09 1xoa s ALA 22 Cb 0.00 -2.70 -0.02 0.00 0.00 0.00 0.00 23.12 20.40 1xoa s ALA 22 CO 0.00 -1.47 0.00 0.42 0.00 0.00 0.00 175.76 174.71 1xoa s ILE 23 N 1.57 3.99 -0.50 0.00 1.01 0.12 -0.40 121.20 126.98 1xoa s ILE 23 Ca 0.03 -0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.27 1xoa s ILE 23 Cb -0.20 -2.81 0.13 0.00 0.01 0.00 0.00 42.46 39.59 1xoa s ILE 23 CO 0.07 0.42 0.39 -0.22 0.00 0.00 0.00 174.94 175.60 1xoa s LEU 24 N 1.02 5.82 -0.36 2.97 2.96 -0.04 0.06 118.68 131.12 1xoa s LEU 24 Ca 0.02 -1.94 -0.22 0.00 -0.22 0.00 0.00 54.13 51.78 1xoa s LEU 24 Cb -0.14 -2.05 0.01 0.00 0.50 0.00 0.00 46.19 44.50 1xoa s LEU 24 CO 0.02 -0.72 0.70 -0.69 -1.32 0.00 0.00 176.35 174.34 1xoa s VAL 25 N 1.34 4.83 -0.53 1.68 1.01 0.39 -0.17 120.40 128.94 1xoa s VAL 25 Ca 0.06 0.72 -0.22 0.00 0.00 0.00 0.00 61.98 62.54 1xoa s VAL 25 Cb -0.26 -4.13 0.05 0.00 0.00 0.00 0.00 36.38 32.04 1xoa s VAL 25 CO -0.00 -0.36 0.81 -0.62 0.00 0.00 0.00 175.10 174.93 1xoa s ASP 26 N 1.80 6.29 -0.22 3.32 2.15 0.35 -0.70 116.67 129.66 1xoa s ASP 26 Ca 0.27 -0.59 -0.29 0.00 0.43 0.00 0.00 52.55 52.37 1xoa s ASP 26 Cb -0.14 -2.38 0.01 0.00 -0.30 0.00 0.00 42.92 40.11 1xoa s ASP 26 CO 0.15 -1.09 1.06 -0.36 -0.17 0.00 0.00 175.17 174.76 1xoa s PHE 27 N 3.41 3.29 0.31 -5.34 0.40 0.07 -1.71 117.98 118.41 1xoa s PHE 27 Ca 0.24 1.42 0.05 0.00 -0.60 0.00 0.00 56.93 58.04 1xoa s PHE 27 Cb -0.15 -3.30 -0.02 0.00 0.51 0.00 0.00 43.02 40.06 1xoa s PHE 27 CO 0.16 -0.61 0.16 -2.67 0.70 0.00 0.00 175.22 172.97 1xoa n TRP 28 N 6.36 -0.19 -3.75 0.36 4.27 0.10 -2.68 117.44 121.90 1xoa n TRP 28 Ca 0.12 -2.23 -0.12 0.00 -3.89 0.00 0.00 57.50 51.38 1xoa n TRP 28 Cb 0.46 0.09 -0.08 0.00 -1.36 0.00 0.00 31.31 30.42 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 -3.00 -0.74 0.55 -1.67 0.00 -1.26 -0.53 121.76 115.11 1xoa s ALA 29 Ca 0.23 0.17 0.26 0.00 0.00 0.00 0.00 51.96 52.62 1xoa s ALA 29 Cb 0.01 0.21 1.46 0.00 0.00 0.00 0.00 23.12 24.79 1xoa s ALA 29 CO 0.16 -0.34 2.01 0.93 0.00 0.00 0.00 175.76 178.52 1xoa h GLU 30 N 3.51 0.00 -0.01 0.00 5.08 -1.98 0.71 114.58 121.89 1xoa h GLU 30 Ca -0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1xoa h GLU 30 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1xoa h GLU 30 CO 0.43 0.00 -0.35 -2.67 -1.00 0.00 0.00 179.01 175.43 1xoa n TRP 31 N -4.17 0.00 -2.57 4.33 4.27 -1.26 -4.80 117.44 113.23 1xoa n TRP 31 Ca 0.08 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.26 1xoa n TRP 31 Cb 0.55 -0.06 -0.01 0.00 -1.36 0.00 0.00 31.31 30.43 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 12.66 -1.13 -0.21 0.00 0.00 -1.87 -1.34 103.07 111.18 1xoa h GLY 33 Ca 0.36 0.76 0.28 0.00 0.00 0.00 0.00 47.33 48.72 1xoa h GLY 33 CO 1.45 -0.18 0.67 -2.55 0.00 0.00 0.00 176.54 175.93 1xoa h PRO 34 N -0.28 0.37 -0.73 4.80 0.11 -1.95 0.18 132.00 134.50 1xoa h PRO 34 Ca 0.08 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 1xoa h PRO 34 Cb 0.48 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.47 1xoa h PRO 34 CO -0.57 0.25 0.39 0.00 -0.21 0.00 0.00 178.00 177.86 1xoa h LYS 36 N 1.02 0.33 -0.95 0.00 1.57 -0.51 -2.68 116.57 115.35 1xoa h LYS 36 Ca 0.26 -0.18 0.17 0.00 -1.87 0.00 0.00 60.65 59.03 1xoa h LYS 36 Cb 0.04 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.26 1xoa h LYS 36 CO -0.04 0.74 0.55 0.52 -0.57 0.00 0.00 179.45 180.65 1xoa h MET 37 N -0.07 0.70 0.00 3.15 2.86 -0.71 0.12 114.93 120.98 1xoa h MET 37 Ca 0.02 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1xoa h MET 37 Cb 0.70 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1xoa h MET 37 CO 0.04 0.46 -0.10 0.44 1.06 0.00 0.00 176.91 178.81 1xoa n ILE 38 N -4.80 0.10 -0.09 -1.22 -5.35 -0.51 -4.31 119.36 103.18 1xoa n ILE 38 Ca 0.21 -0.05 -0.06 0.00 -0.27 0.00 0.00 62.75 62.58 1xoa n ILE 38 Cb 0.52 -0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.04 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 2.91 0.09 -0.89 -1.28 0.00 -0.40 0.45 119.26 120.15 1xoa h ALA 39 Ca 0.00 0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.16 1xoa h ALA 39 Cb 0.54 0.41 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 1xoa h ALA 39 CO 0.00 -0.55 0.51 -1.35 0.00 0.00 0.00 179.25 177.86 1xoa h PRO 40 N -0.11 0.76 0.21 0.00 0.11 -1.75 0.12 132.00 131.33 1xoa h PRO 40 Ca 0.17 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 1xoa h PRO 40 Cb 0.38 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.32 1xoa h PRO 40 CO -0.41 0.50 -0.10 0.82 -0.21 0.00 0.00 178.00 178.60 1xoa h ILE 41 N 0.78 0.82 -0.67 4.15 2.04 -1.43 0.07 117.51 123.26 1xoa h ILE 41 Ca 0.46 -0.11 0.09 0.00 1.00 0.00 0.00 64.86 66.30 1xoa h ILE 41 Cb 0.53 0.89 -0.07 0.00 -0.74 0.00 0.00 36.82 37.43 1xoa h ILE 41 CO -0.30 0.03 0.31 -0.07 0.00 0.00 0.00 178.15 178.11 1xoa h LEU 42 N -0.33 0.37 0.74 1.44 3.38 -0.10 0.57 115.31 121.37 1xoa h LEU 42 Ca -0.03 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1xoa h LEU 42 Cb 0.26 0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.03 1xoa h LEU 42 CO 0.05 0.21 -0.35 0.44 0.09 0.00 0.00 178.44 178.88 1xoa h ASP 43 N 0.53 -0.84 -0.93 -0.43 3.32 -0.38 0.13 116.42 117.83 1xoa h ASP 43 Ca 0.34 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.42 1xoa h ASP 43 Cb 0.38 0.22 -0.05 0.00 0.22 0.00 0.00 39.33 40.10 1xoa h ASP 43 CO -0.28 -0.60 0.62 1.05 -1.72 0.00 0.00 179.24 178.31 1xoa h GLU 44 N -1.00 1.22 -0.42 3.56 4.11 -0.74 -1.43 114.58 119.88 1xoa h GLU 44 Ca -0.10 -0.07 0.03 0.00 0.07 0.00 0.00 59.36 59.29 1xoa h GLU 44 Cb 0.76 -0.28 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 1xoa h GLU 44 CO 0.17 0.81 0.21 0.82 0.07 0.00 0.00 179.01 181.09 1xoa h ILE 45 N 1.26 0.97 -0.72 -1.06 1.08 -0.77 0.99 117.51 119.27 1xoa h ILE 45 Ca 0.34 -0.15 0.10 0.00 -0.39 0.00 0.00 64.86 64.76 1xoa h ILE 45 Cb -0.15 0.51 -0.07 0.00 -3.07 0.00 0.00 36.82 34.04 1xoa h ILE 45 CO -0.07 0.08 0.35 0.00 -0.69 0.00 0.00 178.15 177.82 1xoa h ALA 46 N 1.22 0.99 0.36 1.87 0.00 0.25 0.78 119.26 124.74 1xoa h ALA 46 Ca 0.18 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1xoa h ALA 46 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1xoa h ALA 46 CO -0.13 -0.06 -0.17 0.22 0.00 0.00 0.00 179.25 179.11 1xoa h ASP 47 N 0.59 -0.41 -0.63 0.00 3.58 -0.56 -1.84 116.42 117.15 1xoa h ASP 47 Ca 0.36 -0.12 0.12 0.00 0.42 0.00 0.00 57.03 57.81 1xoa h ASP 47 Cb 0.39 0.11 -0.09 0.00 1.72 0.00 0.00 39.33 41.46 1xoa h ASP 47 CO -0.28 -0.10 0.13 -0.33 -2.88 0.00 0.00 179.24 175.78 1xoa h GLU 48 N -0.73 0.24 -0.66 0.28 5.08 -0.28 -1.22 114.58 117.29 1xoa h GLU 48 Ca -0.05 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1xoa h GLU 48 Cb 0.50 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1xoa h GLU 48 CO 0.08 0.16 0.00 0.66 -1.00 0.00 0.00 179.01 178.91 1xoa n TYR 49 N -5.14 1.59 -1.61 4.33 4.02 0.22 -5.01 117.16 115.56 1xoa n TYR 49 Ca 0.10 -0.57 -0.46 0.00 -0.01 0.00 0.00 57.90 56.96 1xoa n TYR 49 Cb 0.35 -0.39 -0.03 0.00 -0.02 0.00 0.00 39.34 39.26 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 0.59 1.46 0.00 -0.72 10.64 -0.46 -0.62 117.38 128.28 1xoa n GLN 50 Ca 0.22 0.52 0.00 0.00 -1.83 0.00 0.00 57.00 55.91 1xoa n GLN 50 Cb 0.96 -2.00 0.00 0.00 -0.86 0.00 0.00 30.24 28.34 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 1.66 2.79 0.13 2.61 0.00 -1.26 -4.69 105.19 106.43 1xoa n GLY 51 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.75 0.58 -4.82 1.61 5.02 -0.06 -4.95 118.16 114.78 1xoa n LYS 52 Ca 0.00 0.28 -0.33 0.00 -2.02 0.00 0.00 58.31 56.24 1xoa n LYS 52 Cb 0.00 -1.51 -0.14 0.00 -0.02 0.00 0.00 35.03 33.36 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 -7.59 2.69 -0.45 -0.35 2.96 0.21 -4.09 118.68 112.06 1xoa s LEU 53 Ca -0.37 -0.31 -0.09 0.00 -0.22 0.00 0.00 54.13 53.14 1xoa s LEU 53 Cb 0.13 -1.59 0.10 0.00 0.50 0.00 0.00 46.19 45.33 1xoa s LEU 53 CO 0.49 0.20 0.30 -0.89 -1.32 0.00 0.00 176.35 175.14 1xoa s THR 54 N 0.12 4.24 0.30 3.68 2.01 0.46 -4.41 115.64 122.03 1xoa s THR 54 Ca -0.07 -1.59 -0.27 0.00 0.31 0.00 0.00 61.69 60.07 1xoa s THR 54 Cb -0.15 -3.69 -0.09 0.00 0.01 0.00 0.00 72.50 68.58 1xoa s THR 54 CO 0.05 -0.64 0.96 -0.69 -0.69 0.00 0.00 174.62 173.61 1xoa s VAL 55 N 1.40 4.06 0.07 3.82 1.01 -1.26 -0.86 120.40 128.64 1xoa s VAL 55 Ca 0.04 1.85 -0.02 0.00 0.00 0.00 0.00 61.98 63.84 1xoa s VAL 55 Cb -0.25 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 1xoa s VAL 55 CO 0.01 0.27 0.02 0.00 0.00 0.00 0.00 175.10 175.40 1xoa s ALA 56 N -1.44 0.42 0.03 5.51 0.00 0.75 -1.08 121.76 125.96 1xoa s ALA 56 Ca 0.47 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 51.32 1xoa s ALA 56 Cb -0.22 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 1xoa s ALA 56 CO 0.28 -0.41 -0.07 0.15 0.00 0.00 0.00 175.76 175.71 1xoa s LYS 57 N -3.93 0.50 -0.04 0.00 1.02 0.56 -0.49 119.74 117.36 1xoa s LYS 57 Ca 0.09 -0.61 -0.01 0.00 0.02 0.00 0.00 55.97 55.46 1xoa s LYS 57 Cb 0.07 -0.32 0.03 0.00 -0.52 0.00 0.00 37.83 37.10 1xoa s LYS 57 CO -0.08 0.06 0.07 -1.17 -0.92 0.00 0.00 175.35 173.31 1xoa s LEU 58 N -1.21 0.60 -0.48 3.17 0.20 -0.70 -0.88 118.68 119.38 1xoa s LEU 58 Ca -0.07 0.11 -0.23 0.00 0.69 0.00 0.00 54.13 54.63 1xoa s LEU 58 Cb -0.08 -0.01 0.03 0.00 -0.43 0.00 0.00 46.19 45.71 1xoa s LEU 58 CO 0.00 -0.18 0.83 0.21 -0.29 0.00 0.00 176.35 176.92 1xoa s ASN 59 N 1.58 6.39 0.52 3.68 2.47 -1.26 -0.72 114.94 127.60 1xoa s ASN 59 Ca -0.03 -0.21 0.26 0.00 0.42 0.00 0.00 52.86 53.30 1xoa s ASN 59 Cb -0.12 -2.40 1.44 0.00 -1.45 0.00 0.00 41.25 38.72 1xoa s ASN 59 CO -0.04 -1.01 2.09 0.16 -3.72 0.00 0.00 177.10 174.58 1xoa h ILE 60 N 5.99 0.65 -0.32 -5.21 -0.00 -1.02 0.36 117.51 117.96 1xoa h ILE 60 Ca -0.25 -0.46 -0.01 0.00 -0.00 0.00 0.00 64.86 64.14 1xoa h ILE 60 Cb 1.08 1.29 -0.02 0.00 -0.00 0.00 0.00 36.82 39.17 1xoa h ILE 60 CO 1.00 0.11 0.18 0.44 -0.00 0.00 0.00 178.15 179.88 1xoa h ASP 61 N 0.00 0.40 0.42 2.16 3.32 -1.92 -0.80 116.42 120.01 1xoa h ASP 61 Ca -0.00 -0.08 -0.24 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 39.73 1xoa h ASP 61 CO 0.01 0.36 -1.02 1.56 -1.72 0.00 0.00 179.24 178.44 1xoa h GLN 62 N 0.41 0.36 -2.19 3.56 4.20 -1.87 -3.39 115.11 116.19 1xoa h GLN 62 Ca 0.11 -0.44 -0.60 0.00 0.06 0.00 0.00 58.65 57.79 1xoa h GLN 62 Cb 0.05 0.14 -0.42 0.00 0.30 0.00 0.00 27.48 27.55 1xoa h GLN 62 CO -0.02 1.13 -0.62 0.09 -0.67 0.00 0.00 178.83 178.74 1xoa n ASN 63 N -3.69 3.70 0.10 1.46 3.02 0.09 -4.95 115.26 114.99 1xoa n ASN 63 Ca -0.07 -3.44 -0.13 0.00 -0.03 0.00 0.00 54.58 50.90 1xoa n ASN 63 Cb 0.88 -0.66 -0.08 0.00 -0.61 0.00 0.00 39.78 39.32 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 4.02 -0.21 -1.12 3.52 0.13 -1.35 -3.22 132.00 133.77 1xoa h PRO 64 Ca 0.19 0.01 0.36 0.00 -0.87 0.00 0.00 66.00 65.69 1xoa h PRO 64 Cb 0.65 0.05 -0.14 0.00 0.13 0.00 0.00 31.00 31.69 1xoa h PRO 64 CO 0.82 0.00 0.68 0.78 -0.23 0.00 0.00 178.00 180.05 1xoa h GLY 65 N -0.40 1.70 1.82 1.56 0.00 -1.92 0.71 103.07 106.55 1xoa h GLY 65 Ca -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1xoa h GLY 65 CO 0.04 -0.44 0.06 -0.84 0.00 0.00 0.00 176.54 175.35 1xoa h THR 66 N 0.22 1.08 0.44 4.70 2.02 -1.94 -2.16 112.91 117.26 1xoa h THR 66 Ca 0.76 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 67.65 1xoa h THR 66 Cb 2.01 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 1xoa h THR 66 CO -0.51 0.09 -0.21 0.00 0.37 0.00 0.00 175.52 175.26 1xoa h ALA 67 N 1.83 -1.07 -0.73 6.16 0.00 -1.01 -2.70 119.26 121.75 1xoa h ALA 67 Ca 0.06 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 55.00 1xoa h ALA 67 Cb 0.07 0.23 -0.11 0.00 0.00 0.00 0.00 17.79 17.98 1xoa h ALA 67 CO -0.01 -1.02 0.18 -1.35 0.00 0.00 0.00 179.25 177.05 1xoa h PRO 68 N -0.63 0.27 -0.91 0.00 0.11 -1.69 -0.43 132.00 128.72 1xoa h PRO 68 Ca -0.06 -0.02 0.23 0.00 0.11 0.00 0.00 66.00 66.26 1xoa h PRO 68 Cb 0.45 -0.06 -0.13 0.00 0.11 0.00 0.00 31.00 31.37 1xoa h PRO 68 CO 0.10 0.18 0.41 0.87 -0.21 0.00 0.00 178.00 179.34 1xoa h LYS 69 N 0.28 0.38 -0.41 1.05 1.57 -1.31 0.52 116.57 118.66 1xoa h LYS 69 Ca 0.41 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 59.08 1xoa h LYS 69 Cb 0.69 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.86 1xoa h LYS 69 CO -0.50 0.25 0.05 0.66 -0.57 0.00 0.00 179.45 179.34 1xoa n TYR 70 N -5.05 1.40 -3.93 -1.35 4.01 -0.86 -4.98 117.16 106.40 1xoa n TYR 70 Ca 0.23 -1.08 -0.27 0.00 -0.16 0.00 0.00 57.90 56.62 1xoa n TYR 70 Cb 0.68 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 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 -0.47 -0.33 3.73 2.72 0.00 0.17 -4.91 105.19 106.10 1xoa n GLY 71 Ca 0.28 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 46.04 1xoa n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xoa s ILE 72 N -3.64 2.68 -0.69 -0.61 1.09 -0.27 -4.92 121.20 114.84 1xoa s ILE 72 Ca 0.27 0.52 0.16 0.00 -1.10 0.00 0.00 60.65 60.50 1xoa s ILE 72 Cb -0.14 -3.33 -0.18 0.00 -1.06 0.00 0.00 42.46 37.74 1xoa s ILE 72 CO 0.86 0.06 0.65 0.54 -0.10 0.00 0.00 174.94 176.96 1xoa n ARG 73 N 3.18 1.59 -3.08 2.79 1.74 -1.26 -4.76 116.66 116.87 1xoa n ARG 73 Ca 0.10 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 1xoa n ARG 73 Cb 0.40 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 1xoa n ARG 73 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xoa n GLY 74 N 1.39 -1.25 3.06 -0.13 0.00 -1.26 -5.15 105.19 101.86 1xoa n GLY 74 Ca 0.02 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 1xoa n GLY 74 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xoa s ILE 75 N -2.79 0.04 0.47 -0.61 -4.36 -1.26 -4.19 121.20 108.50 1xoa s ILE 75 Ca 0.00 -0.35 -0.22 0.00 -0.26 0.00 0.00 60.65 59.82 1xoa s ILE 75 Cb 0.00 -0.32 -0.07 0.00 1.25 0.00 0.00 42.46 43.32 1xoa s ILE 75 CO 0.00 -0.19 1.12 -2.16 0.24 0.00 0.00 174.94 173.95 1xoa s PRO 76 N -0.65 3.75 -0.08 0.37 0.04 -1.26 -4.79 135.00 132.38 1xoa s PRO 76 Ca -0.07 1.65 -0.00 0.00 0.04 0.00 0.00 61.00 62.62 1xoa s PRO 76 Cb -0.04 -2.31 0.02 0.00 0.04 0.00 0.00 34.50 32.21 1xoa s PRO 76 CO 0.01 -0.53 -0.04 0.99 0.04 0.00 0.00 177.00 177.47 1xoa s THR 77 N -1.66 0.64 -0.54 1.26 2.01 -1.09 -0.15 115.64 116.11 1xoa s THR 77 Ca 0.65 -0.08 -0.16 0.00 0.31 0.00 0.00 61.69 62.40 1xoa s THR 77 Cb -0.25 -0.71 0.13 0.00 0.01 0.00 0.00 72.50 71.67 1xoa s THR 77 CO 0.30 0.29 0.50 -0.76 -0.69 0.00 0.00 174.62 174.27 1xoa s LEU 78 N 1.58 6.16 -0.38 4.42 1.43 0.23 -0.75 118.68 131.38 1xoa s LEU 78 Ca 0.00 -1.78 -0.19 0.00 -1.03 0.00 0.00 54.13 51.14 1xoa s LEU 78 Cb -0.13 -2.21 0.01 0.00 0.03 0.00 0.00 46.19 43.88 1xoa s LEU 78 CO -0.04 -0.87 0.56 -0.76 0.23 0.00 0.00 176.35 175.47 1xoa s LEU 79 N 1.63 4.41 -0.68 1.79 1.02 0.12 -0.76 118.68 126.21 1xoa s LEU 79 Ca 0.03 -0.12 -0.19 0.00 0.02 0.00 0.00 54.13 53.87 1xoa s LEU 79 Cb -0.30 -2.64 0.11 0.00 0.02 0.00 0.00 46.19 43.39 1xoa s LEU 79 CO 0.03 -0.58 0.82 -0.22 0.02 0.00 0.00 176.35 176.42 1xoa s LEU 80 N 2.53 5.29 -0.54 1.79 2.96 0.03 -0.46 118.68 130.27 1xoa s LEU 80 Ca 0.20 -1.57 -0.24 0.00 -0.22 0.00 0.00 54.13 52.30 1xoa s LEU 80 Cb -0.15 -2.33 0.04 0.00 0.50 0.00 0.00 46.19 44.25 1xoa s LEU 80 CO 0.15 -1.11 0.94 -0.36 -1.32 0.00 0.00 176.35 174.64 1xoa s PHE 81 N 2.69 2.81 -0.36 5.38 0.40 0.11 -0.29 117.98 128.72 1xoa s PHE 81 Ca 0.17 0.01 -0.18 0.00 -0.60 0.00 0.00 56.93 56.33 1xoa s PHE 81 Cb -0.19 -4.06 -0.00 0.00 0.51 0.00 0.00 43.02 39.29 1xoa s PHE 81 CO 0.03 -1.33 0.49 0.15 0.70 0.00 0.00 175.22 175.26 1xoa s LYS 82 N 3.91 3.54 -1.44 0.44 1.02 0.62 -0.71 119.74 127.12 1xoa s LYS 82 Ca 0.31 -0.28 -0.07 0.00 0.02 0.00 0.00 55.97 55.95 1xoa s LYS 82 Cb -0.12 -3.83 0.04 0.00 -0.52 0.00 0.00 37.83 33.40 1xoa s LYS 82 CO 0.20 -0.67 0.75 -1.71 -0.92 0.00 0.00 175.35 173.00 1xoa n ASN 83 N 5.70 -2.46 0.00 2.83 5.15 0.45 -0.71 115.26 126.22 1xoa n ASN 83 Ca -0.06 -0.86 0.00 0.00 -0.60 0.00 0.00 54.58 53.07 1xoa n ASN 83 Cb 0.49 -3.69 0.00 0.00 -0.53 0.00 0.00 39.78 36.05 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 -1.68 1.20 3.59 8.20 0.00 -1.22 -4.90 105.19 110.38 1xoa n GLY 84 Ca -0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 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 3.93 -0.35 1.61 2.02 0.12 -4.76 118.70 121.08 1xoa s GLU 85 Ca 0.00 -0.34 -0.27 0.00 0.02 0.00 0.00 54.97 54.38 1xoa s GLU 85 Cb 0.00 -3.52 -0.05 0.00 0.10 0.00 0.00 34.13 30.66 1xoa s GLU 85 CO 0.00 -0.07 2.16 0.08 0.02 0.00 0.00 175.26 177.45 1xoa s VAL 86 N 1.40 3.13 -0.02 2.63 1.01 -1.26 -0.27 120.40 127.02 1xoa s VAL 86 Ca 0.07 0.12 -0.20 0.00 0.00 0.00 0.00 61.98 61.97 1xoa s VAL 86 Cb -0.15 -3.23 -0.32 0.00 0.00 0.00 0.00 36.38 32.69 1xoa s VAL 86 CO 0.07 -0.18 0.95 0.00 0.00 0.00 0.00 175.10 175.94 1xoa h ALA 87 N 15.91 -0.09 -2.64 5.51 0.00 -0.99 -3.48 119.26 133.48 1xoa h ALA 87 Ca -0.33 -0.73 -0.04 0.00 0.00 0.00 0.00 54.91 53.80 1xoa h ALA 87 Cb 1.23 0.11 -0.15 0.00 0.00 0.00 0.00 17.79 18.98 1xoa h ALA 87 CO 1.05 0.47 0.11 0.00 0.00 0.00 0.00 179.25 180.88 1xoa s ALA 88 N -2.57 -1.45 -0.32 0.00 0.00 -1.23 -5.03 121.76 111.16 1xoa s ALA 88 Ca -0.12 0.60 0.01 0.00 0.00 0.00 0.00 51.96 52.45 1xoa s ALA 88 Cb 0.02 0.54 0.10 0.00 0.00 0.00 0.00 23.12 23.79 1xoa s ALA 88 CO 0.87 -0.60 0.08 0.95 0.00 0.00 0.00 175.76 177.06 1xoa s THR 89 N -2.88 1.37 -0.56 0.00 -4.23 -1.26 -0.79 115.64 107.29 1xoa s THR 89 Ca -0.03 -1.74 -0.24 0.00 -1.18 0.00 0.00 61.69 58.50 1xoa s THR 89 Cb -0.00 -2.02 0.04 0.00 1.34 0.00 0.00 72.50 71.85 1xoa s THR 89 CO -0.05 -0.65 0.96 -0.75 -0.54 0.00 0.00 174.62 173.58 1xoa s LYS 90 N 1.36 3.33 0.01 3.99 2.47 0.06 -4.85 119.74 126.11 1xoa s LYS 90 Ca 0.10 -0.26 -0.25 0.00 -1.56 0.00 0.00 55.97 54.00 1xoa s LYS 90 Cb -0.18 -4.06 -0.05 0.00 -1.46 0.00 0.00 37.83 32.09 1xoa s LYS 90 CO -0.19 -1.51 0.79 0.08 0.16 0.00 0.00 175.35 174.68 1xoa s VAL 91 N 4.01 4.82 0.00 4.02 1.01 -1.26 -0.60 120.40 132.40 1xoa s VAL 91 Ca 0.31 1.66 0.00 0.00 0.00 0.00 0.00 61.98 63.95 1xoa s VAL 91 Cb -0.12 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.12 1xoa s VAL 91 CO 0.19 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1xoa n GLY 92 N 2.65 -0.28 3.75 4.51 0.00 0.79 -4.99 105.19 111.61 1xoa n GLY 92 Ca -0.01 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.02 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 1.45 0.15 4.61 0.00 -1.26 -4.81 121.76 119.39 1xoa s ALA 93 Ca 0.00 -0.56 -0.25 0.00 0.00 0.00 0.00 51.96 51.15 1xoa s ALA 93 Cb 0.00 -3.03 0.06 0.00 0.00 0.00 0.00 23.12 20.16 1xoa s ALA 93 CO 0.00 -2.58 0.90 -0.48 0.00 0.00 0.00 175.76 173.60 1xoa s LEU 94 N -6.23 -0.23 0.74 0.00 2.34 -1.26 -5.14 118.68 108.90 1xoa s LEU 94 Ca 0.65 -0.36 -0.11 0.00 0.06 0.00 0.00 54.13 54.37 1xoa s LEU 94 Cb -0.15 2.25 0.04 0.00 -0.56 0.00 0.00 46.19 47.77 1xoa s LEU 94 CO 0.55 -0.94 1.10 -0.94 -1.06 0.00 0.00 176.35 175.06 1xoa s SER 95 N -2.87 5.06 0.17 1.48 1.04 -1.26 -4.85 113.70 112.48 1xoa s SER 95 Ca 0.10 1.21 -0.14 0.00 0.48 0.00 0.00 55.95 57.60 1xoa s SER 95 Cb -0.02 -1.98 0.11 0.00 0.10 0.00 0.00 66.02 64.24 1xoa s SER 95 CO 0.01 -1.59 1.76 0.50 0.98 0.00 0.00 173.24 174.89 1xoa h LYS 96 N -0.83 0.34 0.28 4.02 3.64 -1.98 0.68 116.57 122.72 1xoa h LYS 96 Ca -0.46 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1xoa h LYS 96 Cb 1.26 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 1xoa h LYS 96 CO 0.62 0.23 -0.35 0.78 -2.27 0.00 0.00 179.45 178.46 1xoa h GLY 97 N 0.35 -0.76 0.88 5.01 0.00 -1.99 0.14 103.07 106.69 1xoa h GLY 97 Ca 0.20 0.40 0.04 0.00 0.00 0.00 0.00 47.33 47.98 1xoa h GLY 97 CO -0.19 -0.28 0.64 1.46 0.00 0.00 0.00 176.54 178.18 1xoa h GLN 98 N -0.68 1.19 -0.13 4.80 7.50 -1.87 -0.13 115.11 125.79 1xoa h GLN 98 Ca -0.01 -0.07 -0.00 0.00 0.50 0.00 0.00 58.65 59.07 1xoa h GLN 98 Cb 0.64 -0.27 -0.01 0.00 0.05 0.00 0.00 27.48 27.89 1xoa h GLN 98 CO -0.10 0.79 0.08 1.25 -1.50 0.00 0.00 178.83 179.34 1xoa h LEU 99 N 1.23 0.16 -0.36 1.46 5.85 -0.36 0.75 115.31 124.03 1xoa h LEU 99 Ca 0.40 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 59.11 1xoa h LEU 99 Cb 0.04 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 1xoa h LEU 99 CO -0.13 0.17 0.09 0.11 -0.34 0.00 0.00 178.44 178.34 1xoa h LYS 100 N 0.14 0.22 0.04 1.25 1.57 0.01 0.86 116.57 120.66 1xoa h LYS 100 Ca 0.05 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1xoa h LYS 100 Cb 0.04 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1xoa h LYS 100 CO -0.01 0.15 -0.13 0.93 -0.57 0.00 0.00 179.45 179.82 1xoa h GLU 101 N 0.23 -0.23 -0.09 3.15 5.08 -0.79 0.87 114.58 122.80 1xoa h GLU 101 Ca 0.17 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.58 1xoa h GLU 101 Cb 0.17 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 1xoa h GLU 101 CO -0.20 -0.15 -0.22 0.35 -1.00 0.00 0.00 179.01 177.78 1xoa h PHE 102 N -0.24 -0.59 0.03 4.33 3.57 -0.44 0.82 116.94 124.42 1xoa h PHE 102 Ca 0.03 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.58 1xoa h PHE 102 Cb 0.28 0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 1xoa h PHE 102 CO -0.17 -0.31 -0.15 -0.07 -2.23 0.00 0.00 178.31 175.38 1xoa h LEU 103 N -0.31 -0.44 -0.14 0.59 3.38 -0.60 0.07 115.31 117.86 1xoa h LEU 103 Ca 0.09 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.16 1xoa h LEU 103 Cb 0.43 0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 1xoa h LEU 103 CO -0.27 -0.22 -0.17 -0.78 0.09 0.00 0.00 178.44 177.10 1xoa h ASP 104 N -0.27 -0.52 -0.99 -0.43 3.58 -0.50 0.18 116.42 117.48 1xoa h ASP 104 Ca 0.04 0.09 0.07 0.00 0.42 0.00 0.00 57.03 57.66 1xoa h ASP 104 Cb 0.32 0.24 -0.07 0.00 1.72 0.00 0.00 39.33 41.55 1xoa h ASP 104 CO -0.13 -0.21 0.64 0.00 -2.88 0.00 0.00 179.24 176.66 1xoa h ALA 105 N 0.85 1.44 0.06 -0.78 0.00 -0.53 0.89 119.26 121.20 1xoa h ALA 105 Ca 0.10 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1xoa h ALA 105 Cb 0.35 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1xoa h ALA 105 CO -0.26 0.40 -0.52 -0.91 0.00 0.00 0.00 179.25 177.96 1xoa h ASN 106 N 1.13 0.35 -0.25 0.00 2.35 -0.43 -3.33 115.58 115.40 1xoa h ASN 106 Ca 0.43 -0.89 -0.00 0.00 -0.55 0.00 0.00 56.30 55.29 1xoa h ASN 106 Cb 0.21 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1xoa h ASN 106 CO -0.18 1.21 0.15 -0.07 -1.65 0.00 0.00 177.43 176.89 1xoa h LEU 107 N -0.46 0.31 0.00 1.61 3.38 -0.52 -3.51 115.31 116.11 1xoa h LEU 107 Ca -0.08 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1xoa h LEU 107 Cb 1.35 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1xoa h LEU 107 CO 0.10 0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.92