#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h47 s MET 1 N 0.00 0.65 -0.00 0.00 1.00 -1.26 -1.71 119.30 117.98 1h47 s MET 1 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 55.69 54.81 1h47 s MET 1 Cb 0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 34.83 34.38 1h47 s MET 1 CO 0.00 0.08 -0.02 1.03 0.00 0.00 0.00 175.02 176.12 1h47 s ARG 2 N -1.86 0.13 0.02 2.03 1.81 -0.65 -4.99 118.95 115.44 1h47 s ARG 2 Ca -0.05 -0.05 0.02 0.00 -1.72 0.00 0.00 55.73 53.92 1h47 s ARG 2 Cb -0.08 -0.13 -0.04 0.00 -0.45 0.00 0.00 34.95 34.24 1h47 s ARG 2 CO 0.01 0.03 0.03 -1.50 -0.68 0.00 0.00 175.30 173.19 1h47 s ILE 3 N -0.02 4.33 0.14 1.52 2.07 -1.26 -1.19 121.20 126.79 1h47 s ILE 3 Ca 0.00 -0.62 -0.05 0.00 -1.41 0.00 0.00 60.65 58.57 1h47 s ILE 3 Cb -0.01 -2.98 -0.02 0.00 0.13 0.00 0.00 42.46 39.58 1h47 s ILE 3 CO -0.00 0.31 0.17 -0.83 -1.91 0.00 0.00 174.94 172.68 1h47 s GLY 4 N -1.80 0.65 -0.01 1.50 0.00 -0.35 -3.80 107.32 103.51 1h47 s GLY 4 Ca 0.22 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.83 1h47 s GLY 4 CO 0.14 -1.07 0.00 -1.58 0.00 0.00 0.00 173.10 170.59 1h47 s HIS 5 N -3.99 0.07 0.10 1.90 2.46 -1.25 -1.41 115.29 113.17 1h47 s HIS 5 Ca 0.18 0.02 0.03 0.00 0.47 0.00 0.00 55.06 55.77 1h47 s HIS 5 Cb 0.05 -0.11 -0.04 0.00 -0.13 0.00 0.00 32.58 32.36 1h47 s HIS 5 CO -0.01 -0.03 -0.09 0.20 -2.47 0.00 0.00 174.74 172.34 1h47 s GLY 6 N 0.29 0.82 -0.12 1.59 0.00 -0.01 -3.82 107.32 106.07 1h47 s GLY 6 Ca -0.02 -1.23 -0.10 0.00 0.00 0.00 0.00 44.72 43.37 1h47 s GLY 6 CO -0.01 -1.31 0.30 -0.12 0.00 0.00 0.00 173.10 171.96 1h47 s PHE 7 N -2.77 -0.35 0.05 1.90 5.36 -1.26 -1.39 117.98 119.52 1h47 s PHE 7 Ca 0.07 0.85 -0.08 0.00 -0.96 0.00 0.00 56.93 56.81 1h47 s PHE 7 Cb -0.01 0.12 -0.00 0.00 -0.34 0.00 0.00 43.02 42.79 1h47 s PHE 7 CO -0.01 -0.19 0.15 0.34 -1.46 0.00 0.00 175.22 174.06 1h47 s ASP 8 N 0.43 0.12 -0.01 6.13 2.15 -0.56 -4.77 116.67 120.15 1h47 s ASP 8 Ca -0.02 -0.52 0.00 0.00 0.43 0.00 0.00 52.55 52.44 1h47 s ASP 8 Cb -0.04 0.28 0.01 0.00 -0.30 0.00 0.00 42.92 42.88 1h47 s ASP 8 CO -0.02 -0.59 0.01 -0.69 -0.17 0.00 0.00 175.17 173.70 1h47 s VAL 9 N -2.99 0.04 -0.02 1.11 1.01 -1.26 -1.56 120.40 116.73 1h47 s VAL 9 Ca -0.02 0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.08 1h47 s VAL 9 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 36.38 36.28 1h47 s VAL 9 CO -0.06 0.06 -0.19 -1.00 0.00 0.00 0.00 175.10 173.91 1h47 s HIS 10 N 0.48 1.71 0.01 5.22 3.76 -0.59 -5.01 115.29 120.87 1h47 s HIS 10 Ca -0.04 -0.35 -0.22 0.00 -0.15 0.00 0.00 55.06 54.30 1h47 s HIS 10 Cb -0.06 -1.11 -0.05 0.00 1.11 0.00 0.00 32.58 32.47 1h47 s HIS 10 CO -0.01 -0.05 0.65 0.00 -0.85 0.00 0.00 174.74 174.47 1h47 s ALA 11 N -0.36 3.45 0.70 -1.40 0.00 -1.26 -1.06 121.76 121.82 1h47 s ALA 11 Ca 0.05 0.10 -0.16 0.00 0.00 0.00 0.00 51.96 51.96 1h47 s ALA 11 Cb -0.08 -2.82 0.02 0.00 0.00 0.00 0.00 23.12 20.24 1h47 s ALA 11 CO -0.00 0.13 1.23 -0.06 0.00 0.00 0.00 175.76 177.06 1h47 s PHE 12 N -0.11 2.07 0.00 0.00 0.08 0.25 -2.14 117.98 118.14 1h47 s PHE 12 Ca 0.33 1.56 0.00 0.00 0.12 0.00 0.00 56.93 58.94 1h47 s PHE 12 Cb -0.19 -3.55 0.00 0.00 -0.57 0.00 0.00 43.02 38.72 1h47 s PHE 12 CO 0.19 -2.69 0.00 0.41 -0.10 0.00 0.00 175.22 173.02 1h47 n GLY 13 N 0.58 1.32 7.00 4.36 0.00 -0.61 -4.68 105.19 113.16 1h47 n GLY 13 Ca 0.14 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1h47 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h47 n GLY 14 N -0.18 0.73 3.63 -0.02 0.00 -1.26 -1.68 105.19 106.41 1h47 n GLY 14 Ca 0.00 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.02 1h47 n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h47 s GLU 15 N 0.00 2.09 1.01 1.61 -6.30 -1.26 -2.26 118.70 113.59 1h47 s GLU 15 Ca 0.00 -1.71 -0.16 0.00 -2.50 0.00 0.00 54.97 50.60 1h47 s GLU 15 Cb 0.00 -1.96 0.21 0.00 0.00 0.00 0.00 34.13 32.38 1h47 s GLU 15 CO 0.00 0.16 1.22 0.20 0.02 0.00 0.00 175.26 176.87 1h47 s GLY 16 N -3.71 1.68 0.72 -1.50 0.00 -1.21 -2.65 107.32 100.65 1h47 s GLY 16 Ca 0.34 -0.98 -0.11 0.00 0.00 0.00 0.00 44.72 43.97 1h47 s GLY 16 CO 0.19 -0.23 1.11 2.56 0.00 0.00 0.00 173.10 176.73 1h47 s PRO 17 N -5.63 2.74 0.24 2.90 0.04 -1.26 -4.87 135.00 129.15 1h47 s PRO 17 Ca 0.71 0.41 -0.01 0.00 0.04 0.00 0.00 61.00 62.15 1h47 s PRO 17 Cb -0.08 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1h47 s PRO 17 CO 0.54 -1.11 0.43 0.96 0.04 0.00 0.00 177.00 177.86 1h47 s ILE 18 N -3.39 5.17 -0.19 0.56 -4.36 -0.80 -4.63 121.20 113.56 1h47 s ILE 18 Ca 0.59 -0.38 -0.01 0.00 -0.26 0.00 0.00 60.65 60.58 1h47 s ILE 18 Cb -0.11 -3.76 0.00 0.00 1.25 0.00 0.00 42.46 39.84 1h47 s ILE 18 CO 0.51 -0.27 -0.12 -0.63 0.24 0.00 0.00 174.94 174.68 1h47 s ILE 19 N -1.98 2.81 -0.04 8.37 1.01 -1.26 -0.25 121.20 129.86 1h47 s ILE 19 Ca 0.39 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.37 1h47 s ILE 19 Cb -0.11 -2.24 0.02 0.00 0.01 0.00 0.00 42.46 40.14 1h47 s ILE 19 CO 0.30 0.48 -0.07 -0.63 0.00 0.00 0.00 174.94 175.02 1h47 s ILE 20 N 1.29 0.73 -1.67 2.92 -1.09 -0.27 -3.77 121.20 119.34 1h47 s ILE 20 Ca 0.04 -0.26 -0.18 0.00 -2.23 0.00 0.00 60.65 58.02 1h47 s ILE 20 Cb -0.14 -0.70 0.14 0.00 -1.58 0.00 0.00 42.46 40.19 1h47 s ILE 20 CO -0.06 0.26 0.85 0.61 -1.23 0.00 0.00 174.94 175.36 1h47 n GLY 21 N 3.79 -0.46 3.27 6.18 0.00 -1.26 -1.12 105.19 115.59 1h47 n GLY 21 Ca -0.23 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1h47 n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h47 n GLY 22 N -1.46 2.43 3.75 -0.02 0.00 -1.26 -4.35 105.19 104.28 1h47 n GLY 22 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1h47 n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h47 s VAL 23 N -2.78 5.38 -0.24 1.61 1.01 -0.28 -5.06 120.40 120.04 1h47 s VAL 23 Ca 0.00 0.32 -0.29 0.00 0.00 0.00 0.00 61.98 62.01 1h47 s VAL 23 Cb 0.00 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.87 1h47 s VAL 23 CO 0.00 0.45 1.06 -0.13 0.00 0.00 0.00 175.10 176.48 1h47 s ARG 24 N 0.17 4.23 -0.17 2.72 0.52 -1.26 -1.12 118.95 124.04 1h47 s ARG 24 Ca 0.12 1.34 -0.02 0.00 -0.52 0.00 0.00 55.73 56.65 1h47 s ARG 24 Cb -0.12 -3.66 -0.01 0.00 0.52 0.00 0.00 34.95 31.68 1h47 s ARG 24 CO 0.01 -0.68 -0.09 0.42 0.02 0.00 0.00 175.30 174.99 1h47 s ILE 25 N 3.29 3.23 0.11 1.52 1.01 0.66 -4.95 121.20 126.06 1h47 s ILE 25 Ca 0.45 -0.57 -0.33 0.00 0.00 0.00 0.00 60.65 60.20 1h47 s ILE 25 Cb -0.15 -2.41 -0.12 0.00 0.01 0.00 0.00 42.46 39.79 1h47 s ILE 25 CO 0.08 0.48 1.74 -2.65 0.00 0.00 0.00 174.94 174.59 1h47 n PRO 26 N 4.07 2.45 -3.54 2.79 -0.02 -1.26 -1.91 135.00 137.58 1h47 n PRO 26 Ca -0.18 0.89 -0.11 0.00 -2.02 0.00 0.00 63.50 62.08 1h47 n PRO 26 Cb 0.52 -2.73 -0.04 0.00 -0.02 0.00 0.00 33.50 31.23 1h47 n PRO 26 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1h47 s TYR 27 N 2.18 -0.35 0.08 6.00 5.04 -1.26 -4.92 117.35 124.12 1h47 s TYR 27 Ca 0.82 0.11 0.30 0.00 -2.44 0.00 0.00 57.07 55.86 1h47 s TYR 27 Cb -0.59 0.38 1.16 0.00 0.35 0.00 0.00 41.96 43.26 1h47 s TYR 27 CO 0.40 -0.75 1.91 0.93 -1.34 0.00 0.00 175.55 176.69 1h47 h GLU 28 N 2.26 0.00 -4.86 4.97 4.39 -1.97 -3.19 114.58 116.17 1h47 h GLU 28 Ca -0.34 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.05 1h47 h GLU 28 Cb 1.27 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.78 1h47 h GLU 28 CO 0.43 0.07 -0.66 0.15 -1.16 0.00 0.00 179.01 177.84 1h47 s LYS 29 N -3.64 1.18 0.28 2.33 1.02 -1.26 -4.22 119.74 115.43 1h47 s LYS 29 Ca 0.01 -1.58 0.02 0.00 0.02 0.00 0.00 55.97 54.44 1h47 s LYS 29 Cb 0.09 -0.33 0.05 0.00 -0.52 0.00 0.00 37.83 37.12 1h47 s LYS 29 CO 0.58 -0.14 0.38 0.41 -0.92 0.00 0.00 175.35 175.66 1h47 n GLY 30 N -0.30 1.27 3.17 -3.33 0.00 -0.68 -3.45 105.19 101.86 1h47 n GLY 30 Ca -0.05 -2.07 -0.34 0.00 0.00 0.00 0.00 46.02 43.56 1h47 n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h47 s LEU 31 N 0.00 3.12 0.16 0.99 1.43 -1.24 -1.57 118.68 121.57 1h47 s LEU 31 Ca 0.27 -0.95 -0.31 0.00 -1.03 0.00 0.00 54.13 52.11 1h47 s LEU 31 Cb -0.02 -1.62 -0.09 0.00 0.03 0.00 0.00 46.19 44.49 1h47 s LEU 31 CO 0.18 -0.13 1.40 -0.76 0.23 0.00 0.00 176.35 177.27 1h47 s LEU 32 N 1.28 4.38 -0.12 1.79 1.43 -0.91 -4.57 118.68 121.96 1h47 s LEU 32 Ca -0.01 2.42 -0.30 0.00 -1.03 0.00 0.00 54.13 55.21 1h47 s LEU 32 Cb -0.17 -3.60 0.10 0.00 0.03 0.00 0.00 46.19 42.56 1h47 s LEU 32 CO -0.06 -0.65 0.86 0.00 0.23 0.00 0.00 176.35 176.74 1h47 s ALA 33 N 0.73 -1.87 0.42 4.21 0.00 -1.26 -4.40 121.76 119.60 1h47 s ALA 33 Ca 0.63 1.51 0.28 0.00 0.00 0.00 0.00 51.96 54.37 1h47 s ALA 33 Cb -0.38 -0.47 1.40 0.00 0.00 0.00 0.00 23.12 23.66 1h47 s ALA 33 CO 0.34 -0.33 1.61 0.45 0.00 0.00 0.00 175.76 177.83 1h47 h HIS 34 N 2.87 0.60 -2.98 0.00 -0.00 -2.04 -3.43 115.15 110.17 1h47 h HIS 34 Ca -0.22 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.17 1h47 h HIS 34 Cb 1.15 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 28.42 1h47 h HIS 34 CO 0.33 -0.25 0.00 -1.13 -0.00 0.00 0.00 177.93 176.88 1h47 n SER 35 N -4.81 0.77 -0.08 2.45 3.41 -1.26 -4.87 113.62 109.22 1h47 n SER 35 Ca 0.37 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 59.14 1h47 n SER 35 Cb 1.40 0.00 0.81 0.00 -0.26 0.00 0.00 64.21 66.16 1h47 n SER 35 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1h47 n ASP 36 N 0.00 0.27 -0.23 4.04 5.75 -1.26 -4.93 116.55 120.18 1h47 n ASP 36 Ca 0.00 -0.86 -0.03 0.00 -0.01 0.00 0.00 54.79 53.89 1h47 n ASP 36 Cb 0.00 -0.06 -0.01 0.00 -1.03 0.00 0.00 41.12 40.02 1h47 n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h47 n GLY 37 N 1.11 0.62 3.57 6.12 0.00 -1.26 -4.57 105.19 110.78 1h47 n GLY 37 Ca 0.20 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 1h47 n GLY 37 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1h47 s ASP 38 N -2.83 5.67 0.33 1.61 -1.08 -1.25 -4.79 116.67 114.34 1h47 s ASP 38 Ca 0.00 -1.30 0.00 0.00 -0.52 0.00 0.00 52.55 50.73 1h47 s ASP 38 Cb 0.00 -2.57 0.54 0.00 -1.46 0.00 0.00 42.92 39.43 1h47 s ASP 38 CO 0.00 -2.31 1.99 -0.37 0.52 0.00 0.00 175.17 175.00 1h47 h VAL 39 N 6.71 1.18 -0.03 1.11 -1.51 -1.93 -1.25 116.25 120.54 1h47 h VAL 39 Ca 0.19 -0.34 -0.00 0.00 -1.23 0.00 0.00 66.70 65.32 1h47 h VAL 39 Cb 0.98 0.11 -0.00 0.00 -2.13 0.00 0.00 31.29 30.25 1h47 h VAL 39 CO 1.30 0.18 0.00 0.00 -1.23 0.00 0.00 177.57 177.82 1h47 h ALA 40 N 1.55 0.04 -0.05 5.19 0.00 -1.89 -1.66 119.26 122.43 1h47 h ALA 40 Ca 0.27 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1h47 h ALA 40 Cb -0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1h47 h ALA 40 CO -0.06 -0.31 -0.39 -0.07 0.00 0.00 0.00 179.25 178.42 1h47 h LEU 41 N -0.23 0.11 -0.16 0.00 3.38 -1.91 -1.00 115.31 115.50 1h47 h LEU 41 Ca 0.01 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1h47 h LEU 41 Cb 0.30 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1h47 h LEU 41 CO 0.00 0.49 -0.04 0.45 0.09 0.00 0.00 178.44 179.44 1h47 h HIS 42 N 0.09 0.35 -0.51 1.13 3.86 -1.22 -0.10 115.15 118.75 1h47 h HIS 42 Ca 0.01 -0.07 -0.11 0.00 -1.16 0.00 0.00 60.37 59.04 1h47 h HIS 42 Cb 0.74 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.10 1h47 h HIS 42 CO 0.01 0.58 -0.11 0.00 0.86 0.00 0.00 177.93 179.27 1h47 h ALA 43 N 0.72 0.84 -0.40 2.45 0.00 -1.17 -1.32 119.26 120.37 1h47 h ALA 43 Ca 0.04 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1h47 h ALA 43 Cb 0.46 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1h47 h ALA 43 CO 0.02 0.65 0.07 1.25 0.00 0.00 0.00 179.25 181.23 1h47 h LEU 44 N 0.84 0.64 -0.54 0.00 5.85 -1.08 -2.05 115.31 118.98 1h47 h LEU 44 Ca 0.13 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.65 1h47 h LEU 44 Cb 0.65 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 1h47 h LEU 44 CO 0.05 0.74 0.26 0.74 -0.34 0.00 0.00 178.44 179.89 1h47 h THR 45 N 0.52 0.92 -0.54 1.05 2.02 -0.71 -1.29 112.91 114.88 1h47 h THR 45 Ca 0.12 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 1h47 h THR 45 Cb 0.37 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1h47 h THR 45 CO 0.01 0.09 0.22 0.44 0.37 0.00 0.00 175.52 176.65 1h47 h ASP 46 N 0.50 0.70 -0.43 4.18 3.32 -1.09 -0.51 116.42 123.09 1h47 h ASP 46 Ca 0.25 -0.08 -0.14 0.00 0.02 0.00 0.00 57.03 57.08 1h47 h ASP 46 Cb 0.19 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1h47 h ASP 46 CO -0.19 0.63 -0.27 0.00 -1.72 0.00 0.00 179.24 177.69 1h47 h ALA 47 N 1.48 0.67 -0.18 3.45 0.00 -0.74 0.22 119.26 124.17 1h47 h ALA 47 Ca 0.19 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1h47 h ALA 47 Cb 0.14 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1h47 h ALA 47 CO -0.02 0.67 -0.18 -0.07 0.00 0.00 0.00 179.25 179.65 1h47 h LEU 48 N 0.82 0.47 -1.16 0.00 3.38 -1.02 -0.99 115.31 116.80 1h47 h LEU 48 Ca 0.10 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 57.55 1h47 h LEU 48 Cb 0.85 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1h47 h LEU 48 CO 0.07 0.86 0.15 -0.07 0.09 0.00 0.00 178.44 179.54 1h47 h LEU 49 N 0.10 0.69 -0.38 1.67 3.38 -1.08 -2.13 115.31 117.55 1h47 h LEU 49 Ca 0.03 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1h47 h LEU 49 Cb 0.72 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1h47 h LEU 49 CO 0.05 0.66 0.04 1.23 0.09 0.00 0.00 178.44 180.50 1h47 h GLY 50 N 0.90 0.70 1.84 0.83 0.00 -0.37 -0.51 103.07 106.45 1h47 h GLY 50 Ca 0.17 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 1h47 h GLY 50 CO -0.01 0.44 -0.11 0.00 0.00 0.00 0.00 176.54 176.86 1h47 h ALA 51 N 0.90 1.57 -0.05 3.60 0.00 -0.90 -1.82 119.26 122.56 1h47 h ALA 51 Ca 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1h47 h ALA 51 Cb 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1h47 h ALA 51 CO 0.01 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.57 1h47 n ALA 52 N -2.49 2.59 -4.20 0.00 0.00 -0.82 -4.64 120.51 110.94 1h47 n ALA 52 Ca -0.01 -0.29 -0.33 0.00 0.00 0.00 0.00 53.44 52.81 1h47 n ALA 52 Cb 0.25 -1.25 -0.04 0.00 0.00 0.00 0.00 19.45 18.40 1h47 n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h47 n ALA 53 N -0.36 -1.58 0.22 0.00 0.00 -0.68 -4.86 120.51 113.24 1h47 n ALA 53 Ca 0.17 -0.17 0.09 0.00 0.00 0.00 0.00 53.44 53.52 1h47 n ALA 53 Cb 0.19 -2.39 0.16 0.00 0.00 0.00 0.00 19.45 17.40 1h47 n ALA 53 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1h47 n LEU 54 N -4.38 2.95 0.00 0.00 4.77 -0.25 -5.04 117.00 115.04 1h47 n LEU 54 Ca -0.09 -1.50 0.00 0.00 -0.03 0.00 0.00 56.01 54.38 1h47 n LEU 54 Cb 0.57 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1h47 n LEU 54 CO 0.84 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 178.16 1h47 n GLY 55 N 1.03 0.95 3.84 -0.72 0.00 -1.24 -4.84 105.19 104.21 1h47 n GLY 55 Ca 0.14 -0.96 -0.08 0.00 0.00 0.00 0.00 46.02 45.12 1h47 n GLY 55 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1h47 s ASP 56 N -4.00 -0.14 0.20 1.61 1.47 -1.26 -4.20 116.67 110.35 1h47 s ASP 56 Ca 0.00 -0.83 -0.11 0.00 1.18 0.00 0.00 52.55 52.79 1h47 s ASP 56 Cb 0.00 0.77 0.17 0.00 -0.34 0.00 0.00 42.92 43.52 1h47 s ASP 56 CO 0.00 -1.48 1.84 0.16 0.68 0.00 0.00 175.17 176.37 1h47 h ILE 57 N 2.00 1.07 -0.45 2.11 3.07 -1.92 -2.21 117.51 121.18 1h47 h ILE 57 Ca -0.25 -0.27 -0.01 0.00 1.55 0.00 0.00 64.86 65.89 1h47 h ILE 57 Cb 1.25 0.23 -0.02 0.00 -0.27 0.00 0.00 36.82 38.01 1h47 h ILE 57 CO 0.31 0.14 0.25 1.23 -1.05 0.00 0.00 178.15 179.02 1h47 h GLY 58 N 0.78 0.66 0.81 0.16 0.00 -1.98 0.16 103.07 103.65 1h47 h GLY 58 Ca 0.26 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 1h47 h GLY 58 CO -0.11 0.27 0.02 1.70 0.00 0.00 0.00 176.54 178.42 1h47 h LYS 59 N 0.62 0.23 -0.01 4.80 3.64 -1.80 -2.59 116.57 121.46 1h47 h LYS 59 Ca 0.16 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 59.29 1h47 h LYS 59 Cb 0.02 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1h47 h LYS 59 CO -0.03 0.41 -0.84 -0.07 -2.27 0.00 0.00 179.45 176.66 1h47 h LEU 60 N 0.01 0.31 -5.90 5.20 4.07 -1.23 -3.40 115.31 114.36 1h47 h LEU 60 Ca 0.04 -0.24 -0.52 0.00 0.08 0.00 0.00 57.88 57.24 1h47 h LEU 60 Cb 0.30 -0.09 -0.40 0.00 1.08 0.00 0.00 40.66 41.54 1h47 h LEU 60 CO 0.00 1.02 -1.05 0.49 -1.08 0.00 0.00 178.44 177.82 1h47 n PHE 61 N -3.71 0.89 -1.70 1.13 3.72 0.54 -5.11 117.46 113.22 1h47 n PHE 61 Ca -0.04 -3.81 -0.43 0.00 -0.05 0.00 0.00 57.45 53.13 1h47 n PHE 61 Cb 0.78 -0.42 -0.01 0.00 -0.94 0.00 0.00 39.48 38.89 1h47 n PHE 61 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1h47 n PRO 62 N 0.51 2.13 -0.33 -1.08 -0.02 -0.98 -4.59 135.00 130.64 1h47 n PRO 62 Ca 0.25 0.75 0.01 0.00 -2.02 0.00 0.00 63.50 62.49 1h47 n PRO 62 Cb 0.57 -2.33 0.15 0.00 -0.02 0.00 0.00 33.50 31.87 1h47 n PRO 62 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1h47 h ASP 63 N 2.56 0.92 -0.34 2.55 3.32 -1.95 -1.83 116.42 121.66 1h47 h ASP 63 Ca -0.46 0.01 0.03 0.00 0.02 0.00 0.00 57.03 56.63 1h47 h ASP 63 Cb 1.28 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.61 1h47 h ASP 63 CO 0.63 0.60 -0.20 0.41 -1.72 0.00 0.00 179.24 178.95 1h47 n THR 64 N -4.57 -0.23 -1.97 0.35 -1.04 -1.26 -4.56 114.28 101.00 1h47 n THR 64 Ca 0.13 1.26 -0.43 0.00 -2.04 0.00 0.00 64.05 62.98 1h47 n THR 64 Cb 0.16 -1.60 -0.03 0.00 -1.82 0.00 0.00 70.33 67.04 1h47 n THR 64 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1h47 s ASP 65 N -4.25 5.97 0.57 8.00 -1.08 -0.69 -4.90 116.67 120.28 1h47 s ASP 65 Ca -0.04 1.47 0.29 0.00 -0.52 0.00 0.00 52.55 53.75 1h47 s ASP 65 Cb 0.04 -2.53 1.46 0.00 -1.46 0.00 0.00 42.92 40.43 1h47 s ASP 65 CO 0.21 -1.62 1.89 -0.65 0.52 0.00 0.00 175.17 175.53 1h47 h PRO 66 N 12.57 0.00 -0.28 4.34 0.11 -1.86 -2.67 132.00 144.21 1h47 h PRO 66 Ca -0.35 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.84 1h47 h PRO 66 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1h47 h PRO 66 CO 1.01 0.00 0.33 0.00 -0.21 0.00 0.00 178.00 179.14 1h47 h ALA 67 N 1.50 1.91 -0.36 -0.75 0.00 -1.94 -1.69 119.26 117.93 1h47 h ALA 67 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1h47 h ALA 67 Cb 1.37 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1h47 h ALA 67 CO -0.00 -0.48 0.00 1.19 0.00 0.00 0.00 179.25 179.96 1h47 n PHE 68 N -3.67 0.47 -1.72 0.00 3.72 -1.01 -4.92 117.46 110.33 1h47 n PHE 68 Ca 0.04 -0.32 -0.42 0.00 -0.05 0.00 0.00 57.45 56.70 1h47 n PHE 68 Cb 0.48 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.98 1h47 n PHE 68 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1h47 s LYS 69 N -1.16 4.14 0.00 -1.08 3.01 -0.64 -1.42 119.74 122.59 1h47 s LYS 69 Ca 0.31 2.59 0.00 0.00 -1.01 0.00 0.00 55.97 57.86 1h47 s LYS 69 Cb 0.17 -3.56 0.00 0.00 -1.01 0.00 0.00 37.83 33.43 1h47 s LYS 69 CO 0.24 -0.84 0.00 0.41 0.51 0.00 0.00 175.35 175.67 1h47 n GLY 70 N 4.22 0.91 3.77 -3.33 0.00 -1.26 -5.00 105.19 104.49 1h47 n GLY 70 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1h47 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h47 s ALA 71 N -3.64 3.55 0.59 4.61 0.00 -0.51 -5.03 121.76 121.34 1h47 s ALA 71 Ca 0.00 1.42 -0.01 0.00 0.00 0.00 0.00 51.96 53.37 1h47 s ALA 71 Cb 0.00 -3.55 0.04 0.00 0.00 0.00 0.00 23.12 19.61 1h47 s ALA 71 CO 0.00 -0.85 0.84 0.16 0.00 0.00 0.00 175.76 175.91 1h47 s ASP 72 N -0.23 5.18 0.39 0.00 1.47 -1.26 -4.65 116.67 117.58 1h47 s ASP 72 Ca 0.52 0.14 0.17 0.00 1.18 0.00 0.00 52.55 54.56 1h47 s ASP 72 Cb -0.43 -0.98 0.81 0.00 -0.34 0.00 0.00 42.92 41.98 1h47 s ASP 72 CO 0.57 -1.24 1.83 0.28 0.68 0.00 0.00 175.17 177.28 1h47 h SER 73 N -0.10 0.00 0.38 2.11 0.02 -1.96 -1.55 113.55 112.45 1h47 h SER 73 Ca -0.43 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.38 1h47 h SER 73 Cb 1.30 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 1h47 h SER 73 CO 0.55 0.35 -0.60 0.03 -1.14 0.00 0.00 176.83 176.01 1h47 h ARG 74 N 0.00 0.22 -0.43 3.45 3.08 -1.97 -0.87 114.38 117.85 1h47 h ARG 74 Ca -0.00 -0.15 -0.14 0.00 0.07 0.00 0.00 59.98 59.75 1h47 h ARG 74 Cb 0.71 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 1h47 h ARG 74 CO 0.05 0.75 -0.30 0.93 -1.07 0.00 0.00 179.97 180.33 1h47 h GLU 75 N 0.17 0.96 -0.45 0.04 5.08 -1.78 -0.98 114.58 117.61 1h47 h GLU 75 Ca -0.01 -0.45 -0.06 0.00 -1.00 0.00 0.00 59.36 57.84 1h47 h GLU 75 Cb 1.10 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1h47 h GLU 75 CO 0.09 1.12 0.06 -0.07 -1.00 0.00 0.00 179.01 179.21 1h47 h LEU 76 N 0.81 0.74 -0.43 1.33 3.38 -1.19 -1.93 115.31 118.03 1h47 h LEU 76 Ca 0.09 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1h47 h LEU 76 Cb 0.88 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1h47 h LEU 76 CO 0.08 0.82 0.27 0.25 0.09 0.00 0.00 178.44 179.95 1h47 h LEU 77 N 0.62 0.45 -0.78 1.67 5.85 -1.10 -0.35 115.31 121.68 1h47 h LEU 77 Ca 0.14 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.74 1h47 h LEU 77 Cb 0.41 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1h47 h LEU 77 CO 0.01 0.33 -0.26 0.03 -0.34 0.00 0.00 178.44 178.21 1h47 h ARG 78 N 0.55 0.63 -0.31 1.25 3.08 -0.99 0.05 114.38 118.64 1h47 h ARG 78 Ca 0.16 -0.26 -0.12 0.00 0.07 0.00 0.00 59.98 59.83 1h47 h ARG 78 Cb -0.03 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1h47 h ARG 78 CO -0.05 0.83 -0.28 1.49 -1.07 0.00 0.00 179.97 180.88 1h47 h GLU 79 N 0.55 0.73 -0.71 0.04 4.57 -1.16 -0.23 114.58 118.37 1h47 h GLU 79 Ca 0.07 -0.38 0.02 0.00 -1.18 0.00 0.00 59.36 57.89 1h47 h GLU 79 Cb 0.73 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.29 1h47 h GLU 79 CO 0.06 1.00 0.46 0.00 -1.18 0.00 0.00 179.01 179.34 1h47 h ALA 80 N 0.72 0.91 -0.44 2.92 0.00 -0.88 -1.93 119.26 120.56 1h47 h ALA 80 Ca 0.05 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1h47 h ALA 80 Cb 0.85 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1h47 h ALA 80 CO 0.07 0.27 -0.22 2.35 0.00 0.00 0.00 179.25 181.73 1h47 h TRP 81 N 0.92 1.03 -0.77 0.00 -0.00 -0.73 -1.38 115.95 115.01 1h47 h TRP 81 Ca 0.27 -0.24 0.03 0.00 -0.00 0.00 0.00 58.89 58.95 1h47 h TRP 81 Cb -0.05 -0.24 -0.05 0.00 -0.00 0.00 0.00 29.16 28.82 1h47 h TRP 81 CO -0.03 1.03 0.49 -0.09 -0.00 0.00 0.00 178.44 179.84 1h47 h ARG 82 N 0.78 0.94 -0.09 2.65 2.43 -0.69 -0.20 114.38 120.20 1h47 h ARG 82 Ca 0.10 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 59.08 1h47 h ARG 82 Cb 0.77 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1h47 h ARG 82 CO 0.06 0.62 -0.54 0.00 -1.51 0.00 0.00 179.97 178.61 1h47 h ARG 83 N 0.97 0.25 -0.32 0.20 3.08 -0.96 -1.57 114.38 116.03 1h47 h ARG 83 Ca 0.31 -0.15 -0.12 0.00 0.07 0.00 0.00 59.98 60.09 1h47 h ARG 83 Cb -0.00 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1h47 h ARG 83 CO -0.11 0.73 -0.26 0.82 -1.07 0.00 0.00 179.97 180.09 1h47 h ILE 84 N 0.20 1.29 -0.61 2.04 2.04 -0.95 -2.70 117.51 118.82 1h47 h ILE 84 Ca 0.00 -1.41 -0.07 0.00 1.00 0.00 0.00 64.86 64.38 1h47 h ILE 84 Cb 1.01 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 38.56 1h47 h ILE 84 CO 0.08 0.46 0.08 1.56 0.00 0.00 0.00 178.15 180.33 1h47 h GLN 85 N 0.49 1.00 0.00 2.37 4.20 -0.82 -1.71 115.11 120.64 1h47 h GLN 85 Ca 0.06 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.49 1h47 h GLN 85 Cb 0.82 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.48 1h47 h GLN 85 CO 0.07 0.93 -0.07 0.00 -0.67 0.00 0.00 178.83 179.08 1h47 h ALA 86 N 1.15 1.26 0.00 3.87 0.00 -1.27 0.39 119.26 124.66 1h47 h ALA 86 Ca 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1h47 h ALA 86 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1h47 h ALA 86 CO 0.01 0.09 0.00 1.63 0.00 0.00 0.00 179.25 180.98 1h47 n LYS 87 N -3.56 0.67 0.00 0.00 5.02 -0.65 -4.90 118.16 114.74 1h47 n LYS 87 Ca -0.02 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1h47 n LYS 87 Cb 0.19 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1h47 n LYS 87 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1h47 n GLY 88 N 1.04 0.66 3.91 0.72 0.00 0.13 -5.09 105.19 106.55 1h47 n GLY 88 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1h47 n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h47 s TYR 89 N -2.00 3.48 0.25 1.61 2.02 -1.17 -4.68 117.35 116.86 1h47 s TYR 89 Ca 0.00 0.58 0.04 0.00 -0.37 0.00 0.00 57.07 57.32 1h47 s TYR 89 Cb 0.00 -2.05 -0.05 0.00 -0.40 0.00 0.00 41.96 39.45 1h47 s TYR 89 CO 0.00 0.20 0.00 -0.08 -1.57 0.00 0.00 175.55 174.10 1h47 s THR 90 N -2.07 1.14 -0.03 -0.71 -1.32 -0.03 -4.26 115.64 108.35 1h47 s THR 90 Ca 0.43 -2.04 -0.25 0.00 -1.21 0.00 0.00 61.69 58.62 1h47 s THR 90 Cb -0.11 -2.44 -0.04 0.00 -1.51 0.00 0.00 72.50 68.40 1h47 s THR 90 CO 0.30 -0.26 0.76 -0.22 -2.21 0.00 0.00 174.62 172.99 1h47 s LEU 91 N -3.35 4.35 0.00 9.08 2.96 -1.26 -0.64 118.68 129.81 1h47 s LEU 91 Ca 0.30 1.32 0.00 0.00 -0.22 0.00 0.00 54.13 55.53 1h47 s LEU 91 Cb 0.06 -3.19 0.00 0.00 0.50 0.00 0.00 46.19 43.56 1h47 s LEU 91 CO 0.10 -0.11 0.00 0.61 -1.32 0.00 0.00 176.35 175.63 1h47 n GLY 92 N 2.92 1.14 3.67 7.98 0.00 -0.04 -4.75 105.19 116.11 1h47 n GLY 92 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1h47 n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h47 s ASN 93 N -1.00 -0.39 0.07 1.61 4.22 -0.97 -4.84 114.94 113.63 1h47 s ASN 93 Ca 0.00 -0.35 0.02 0.00 -2.14 0.00 0.00 52.86 50.39 1h47 s ASN 93 Cb 0.00 0.67 -0.03 0.00 1.28 0.00 0.00 41.25 43.17 1h47 s ASN 93 CO 0.00 -1.19 -0.08 0.68 -2.04 0.00 0.00 177.10 174.48 1h47 s VAL 94 N -3.85 0.64 -0.06 3.54 -7.23 -0.31 -0.98 120.40 112.15 1h47 s VAL 94 Ca 0.07 -1.43 -0.03 0.00 -1.81 0.00 0.00 61.98 58.78 1h47 s VAL 94 Cb -0.04 -1.05 0.03 0.00 0.56 0.00 0.00 36.38 35.88 1h47 s VAL 94 CO -0.02 -0.57 0.13 -0.62 -0.31 0.00 0.00 175.10 173.71 1h47 s ASP 95 N -2.16 -0.09 -0.02 4.85 2.15 -0.43 -2.01 116.67 118.96 1h47 s ASP 95 Ca -0.01 0.25 0.04 0.00 0.43 0.00 0.00 52.55 53.27 1h47 s ASP 95 Cb -0.04 0.16 -0.01 0.00 -0.30 0.00 0.00 42.92 42.74 1h47 s ASP 95 CO -0.01 -0.13 -0.14 -0.69 -0.17 0.00 0.00 175.17 174.02 1h47 s VAL 96 N 0.97 1.17 -0.24 1.11 1.01 -0.31 -0.75 120.40 123.35 1h47 s VAL 96 Ca -0.08 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.30 1h47 s VAL 96 Cb -0.10 -1.00 0.07 0.00 0.00 0.00 0.00 36.38 35.35 1h47 s VAL 96 CO -0.05 0.34 0.00 -0.89 0.00 0.00 0.00 175.10 174.51 1h47 s THR 97 N -0.11 1.19 0.11 3.92 2.01 0.16 -1.18 115.64 121.74 1h47 s THR 97 Ca 0.01 -1.15 -0.29 0.00 0.31 0.00 0.00 61.69 60.58 1h47 s THR 97 Cb -0.08 -1.63 -0.06 0.00 0.01 0.00 0.00 72.50 70.74 1h47 s THR 97 CO 0.00 -0.26 0.91 -0.63 -0.69 0.00 0.00 174.62 173.95 1h47 s ILE 98 N 1.53 4.52 -0.31 1.82 1.01 0.00 -0.44 121.20 129.33 1h47 s ILE 98 Ca -0.01 1.96 0.03 0.00 0.00 0.00 0.00 60.65 62.63 1h47 s ILE 98 Cb -0.18 -4.27 0.08 0.00 0.01 0.00 0.00 42.46 38.10 1h47 s ILE 98 CO -0.10 0.35 -0.01 -0.63 0.00 0.00 0.00 174.94 174.55 1h47 s ILE 99 N -0.13 2.33 -0.24 2.92 1.01 0.08 -0.80 121.20 126.37 1h47 s ILE 99 Ca 0.44 -1.99 -0.16 0.00 0.00 0.00 0.00 60.65 58.94 1h47 s ILE 99 Cb -0.23 -2.56 0.07 0.00 0.01 0.00 0.00 42.46 39.76 1h47 s ILE 99 CO 0.28 -0.35 0.61 0.00 0.00 0.00 0.00 174.94 175.49 1h47 s ALA 100 N 1.01 -1.61 0.16 9.38 0.00 -0.36 -1.22 121.76 129.12 1h47 s ALA 100 Ca 0.02 2.07 -0.09 0.00 0.00 0.00 0.00 51.96 53.96 1h47 s ALA 100 Cb -0.20 -1.22 -0.00 0.00 0.00 0.00 0.00 23.12 21.70 1h47 s ALA 100 CO -0.06 -0.33 1.47 0.37 0.00 0.00 0.00 175.76 177.21 1h47 h GLN 101 N 6.59 0.82 -2.80 0.00 5.75 -1.83 -3.33 115.11 120.32 1h47 h GLN 101 Ca -0.31 -0.47 0.01 0.00 -0.15 0.00 0.00 58.65 57.73 1h47 h GLN 101 Cb 1.20 0.03 -0.13 0.00 1.07 0.00 0.00 27.48 29.66 1h47 h GLN 101 CO 0.18 1.10 0.29 0.00 -2.65 0.00 0.00 178.83 177.75 1h47 s ALA 102 N -4.24 -1.66 1.03 3.38 0.00 -1.26 -4.81 121.76 114.20 1h47 s ALA 102 Ca -0.10 0.64 -0.16 0.00 0.00 0.00 0.00 51.96 52.34 1h47 s ALA 102 Cb 0.11 0.75 0.21 0.00 0.00 0.00 0.00 23.12 24.19 1h47 s ALA 102 CO 0.87 -0.74 1.19 -1.25 0.00 0.00 0.00 175.76 175.83 1h47 s PRO 103 N -3.56 0.15 0.14 0.00 0.04 -1.26 -5.02 135.00 125.50 1h47 s PRO 103 Ca 0.02 -0.06 -0.31 0.00 0.04 0.00 0.00 61.00 60.69 1h47 s PRO 103 Cb -0.01 -1.76 -0.08 0.00 0.04 0.00 0.00 34.50 32.70 1h47 s PRO 103 CO -0.12 -2.80 1.32 0.21 0.04 0.00 0.00 177.00 175.65 1h47 s LYS 104 N -5.52 4.37 -0.13 4.56 2.20 -1.26 -4.93 119.74 119.03 1h47 s LYS 104 Ca 0.70 2.00 0.06 0.00 -0.36 0.00 0.00 55.97 58.36 1h47 s LYS 104 Cb -0.09 -3.25 -0.23 0.00 -1.51 0.00 0.00 37.83 32.74 1h47 s LYS 104 CO 0.54 -0.32 0.31 -1.33 -0.36 0.00 0.00 175.35 174.19 1h47 n MET 105 N 3.45 0.69 0.07 4.03 2.81 -1.26 -4.70 117.12 122.20 1h47 n MET 105 Ca 0.09 0.21 0.05 0.00 -1.81 0.00 0.00 57.70 56.23 1h47 n MET 105 Cb 0.43 -1.67 0.47 0.00 -0.71 0.00 0.00 33.22 31.74 1h47 n MET 105 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1h47 h LEU 106 N 0.02 0.35 -1.67 4.03 5.85 -1.98 0.18 115.31 122.09 1h47 h LEU 106 Ca -0.43 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1h47 h LEU 106 Cb 2.04 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.99 1h47 h LEU 106 CO 0.05 0.27 0.00 1.55 -0.34 0.00 0.00 178.44 179.96 1h47 h PRO 107 N 0.41 0.00 0.00 5.25 0.13 -2.02 -2.79 132.00 132.98 1h47 h PRO 107 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1h47 h PRO 107 Cb -0.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.10 1h47 h PRO 107 CO -0.02 0.00 -0.95 0.72 -0.23 0.00 0.00 178.00 177.52 1h47 n HIS 108 N -2.61 0.00 -0.12 1.56 8.25 0.03 -4.64 115.22 117.70 1h47 n HIS 108 Ca -0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 1h47 n HIS 108 Cb 0.14 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.21 1h47 n HIS 108 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1h47 h ILE 109 N 0.00 1.25 -0.91 1.59 2.04 -1.26 -2.09 117.51 118.12 1h47 h ILE 109 Ca 0.00 -0.91 0.17 0.00 1.00 0.00 0.00 64.86 65.12 1h47 h ILE 109 Cb 0.47 1.18 -0.10 0.00 -0.74 0.00 0.00 36.82 37.63 1h47 h ILE 109 CO 0.00 0.30 0.50 -0.65 0.00 0.00 0.00 178.15 178.30 1h47 h PRO 110 N 0.41 0.64 -0.08 2.37 0.11 -1.82 -0.52 132.00 133.09 1h47 h PRO 110 Ca 0.10 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 66.02 1h47 h PRO 110 Cb 0.41 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 1h47 h PRO 110 CO 0.01 0.42 -0.63 0.37 -0.21 0.00 0.00 178.00 177.96 1h47 h GLN 111 N 0.66 0.30 -0.69 1.05 5.75 -1.81 -2.56 115.11 117.81 1h47 h GLN 111 Ca 0.52 -0.21 -0.01 0.00 -0.15 0.00 0.00 58.65 58.79 1h47 h GLN 111 Cb 0.78 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.33 1h47 h GLN 111 CO -0.39 0.83 0.40 0.52 -2.65 0.00 0.00 178.83 177.54 1h47 h MET 112 N 0.22 0.95 -0.53 1.69 2.86 -0.46 -2.12 114.93 117.54 1h47 h MET 112 Ca -0.01 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 1h47 h MET 112 Cb 1.16 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.60 1h47 h MET 112 CO 0.10 0.70 0.15 0.00 1.06 0.00 0.00 176.91 178.91 1h47 h ARG 113 N 0.94 0.80 -0.12 1.72 3.08 -0.81 -1.75 114.38 118.25 1h47 h ARG 113 Ca 0.25 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 1h47 h ARG 113 Cb 0.01 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 1h47 h ARG 113 CO -0.04 0.71 -0.09 0.28 -1.07 0.00 0.00 179.97 179.76 1h47 h VAL 114 N 0.78 1.34 -0.67 2.04 2.07 -1.25 -1.10 116.25 119.46 1h47 h VAL 114 Ca 0.18 -1.18 0.05 0.00 0.82 0.00 0.00 66.70 66.57 1h47 h VAL 114 Cb 0.26 1.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.83 1h47 h VAL 114 CO -0.01 0.34 0.38 -0.26 0.02 0.00 0.00 177.57 178.04 1h47 h PHE 115 N -0.10 0.70 -0.41 1.57 0.04 -1.23 0.90 116.94 118.41 1h47 h PHE 115 Ca 0.02 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.72 1h47 h PHE 115 Cb 0.58 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 1h47 h PHE 115 CO 0.08 0.35 -0.12 0.82 -0.60 0.00 0.00 178.31 178.83 1h47 h ILE 116 N 0.71 1.28 -0.56 -0.55 2.04 -1.26 0.86 117.51 120.02 1h47 h ILE 116 Ca 0.29 -1.23 -0.05 0.00 1.00 0.00 0.00 64.86 64.87 1h47 h ILE 116 Cb 0.16 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1h47 h ILE 116 CO -0.17 0.41 0.15 0.00 0.00 0.00 0.00 178.15 178.54 1h47 h ALA 117 N 0.84 0.73 0.07 1.87 0.00 -0.90 -0.79 119.26 121.10 1h47 h ALA 117 Ca 0.10 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1h47 h ALA 117 Cb 0.66 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1h47 h ALA 117 CO 0.05 0.43 -0.15 0.93 0.00 0.00 0.00 179.25 180.51 1h47 h GLU 118 N 0.79 -0.27 0.00 0.00 5.08 -0.61 -1.31 114.58 118.26 1h47 h GLU 118 Ca 0.18 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1h47 h GLU 118 Cb 0.33 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1h47 h GLU 118 CO 0.00 -0.18 -0.08 -0.44 -1.00 0.00 0.00 179.01 177.31 1h47 h ASP 119 N -0.28 0.00 -0.09 1.42 3.32 -0.38 -2.81 116.42 117.60 1h47 h ASP 119 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1h47 h ASP 119 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1h47 h ASP 119 CO -0.09 0.08 0.00 0.18 -1.72 0.00 0.00 179.24 177.69 1h47 n LEU 120 N -4.01 2.61 -2.88 1.55 4.77 -0.34 -4.74 117.00 113.97 1h47 n LEU 120 Ca -0.03 -1.13 -0.21 0.00 -0.03 0.00 0.00 56.01 54.61 1h47 n LEU 120 Cb 0.17 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1h47 n LEU 120 CO 0.31 0.49 -0.08 0.61 -1.33 0.00 0.00 177.39 177.39 1h47 n GLY 121 N 1.02 -0.51 3.78 -0.72 0.00 -0.58 -4.90 105.19 103.27 1h47 n GLY 121 Ca 0.11 0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1h47 n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h47 s HIS 123 N -2.81 3.36 0.42 0.00 3.76 -1.26 -4.66 115.29 114.10 1h47 s HIS 123 Ca 0.18 1.65 0.14 0.00 -0.15 0.00 0.00 55.06 56.88 1h47 s HIS 123 Cb 0.02 -2.93 1.00 0.00 1.11 0.00 0.00 32.58 31.78 1h47 s HIS 123 CO 0.10 -0.19 1.94 0.52 -0.85 0.00 0.00 174.74 176.26 1h47 h MET 124 N 2.26 0.45 0.00 1.40 0.00 -1.93 -0.40 114.93 116.71 1h47 h MET 124 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 59.70 59.19 1h47 h MET 124 Cb 1.19 -0.10 0.00 0.00 0.00 0.00 0.00 31.60 32.69 1h47 h MET 124 CO 0.62 0.30 0.00 -3.47 0.00 0.00 0.00 176.91 174.36 1h47 n ASP 125 N -4.48 0.00 -0.56 1.22 4.64 -1.26 -1.38 116.55 114.73 1h47 n ASP 125 Ca 0.13 0.45 0.14 0.00 -1.38 0.00 0.00 54.79 54.13 1h47 n ASP 125 Cb 0.46 -0.47 0.45 0.00 -1.04 0.00 0.00 41.12 40.52 1h47 n ASP 125 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 1h47 n ASP 126 N -1.47 1.75 -4.00 1.67 8.00 -0.16 -4.89 116.55 117.45 1h47 n ASP 126 Ca 0.03 -1.58 -0.26 0.00 0.71 0.00 0.00 54.79 53.68 1h47 n ASP 126 Cb 0.11 -0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 41.04 1h47 n ASP 126 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1h47 s VAL 127 N -2.00 1.22 -0.06 2.53 1.01 -0.48 -1.17 120.40 121.46 1h47 s VAL 127 Ca 0.36 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.89 1h47 s VAL 127 Cb 0.21 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.45 1h47 s VAL 127 CO 0.33 0.39 -0.13 0.21 0.00 0.00 0.00 175.10 175.90 1h47 s ASN 128 N 1.05 1.78 -0.02 3.32 2.47 -0.85 -4.99 114.94 117.71 1h47 s ASN 128 Ca -0.07 -0.30 0.04 0.00 0.42 0.00 0.00 52.86 52.96 1h47 s ASN 128 Cb -0.15 -0.74 -0.01 0.00 -1.45 0.00 0.00 41.25 38.90 1h47 s ASN 128 CO -0.01 0.06 -0.15 -0.69 -3.72 0.00 0.00 177.10 172.58 1h47 s VAL 129 N 0.52 1.21 0.26 -5.21 1.01 -1.26 -1.16 120.40 115.76 1h47 s VAL 129 Ca -0.12 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 1h47 s VAL 129 Cb -0.14 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 1h47 s VAL 129 CO 0.03 0.35 0.26 -1.59 0.00 0.00 0.00 175.10 174.15 1h47 s LYS 130 N -0.26 1.47 0.04 2.72 -2.85 -0.33 -4.96 119.74 115.57 1h47 s LYS 130 Ca 0.04 -1.69 -0.00 0.00 -1.00 0.00 0.00 55.97 53.32 1h47 s LYS 130 Cb -0.07 0.33 -0.03 0.00 -2.06 0.00 0.00 37.83 36.00 1h47 s LYS 130 CO -0.00 -0.54 -0.03 0.00 0.10 0.00 0.00 175.35 174.88 1h47 s ALA 131 N -3.83 0.33 0.01 0.59 0.00 -1.26 -0.82 121.76 116.79 1h47 s ALA 131 Ca 0.36 -0.91 -0.20 0.00 0.00 0.00 0.00 51.96 51.21 1h47 s ALA 131 Cb 0.04 0.21 0.04 0.00 0.00 0.00 0.00 23.12 23.41 1h47 s ALA 131 CO 0.16 -0.27 0.45 -0.08 0.00 0.00 0.00 175.76 176.03 1h47 s THR 132 N -2.72 0.04 0.53 0.00 -1.32 0.02 -4.93 115.64 107.25 1h47 s THR 132 Ca -0.04 -0.34 0.05 0.00 -1.21 0.00 0.00 61.69 60.14 1h47 s THR 132 Cb -0.01 -0.88 0.04 0.00 -1.51 0.00 0.00 72.50 70.15 1h47 s THR 132 CO -0.06 -0.19 0.73 0.42 -2.21 0.00 0.00 174.62 173.31 1h47 s THR 133 N -1.93 2.66 -0.30 5.08 -4.23 -1.25 -1.22 115.64 114.45 1h47 s THR 133 Ca -0.09 -0.82 0.09 0.00 -1.18 0.00 0.00 61.69 59.69 1h47 s THR 133 Cb -0.02 -2.84 0.52 0.00 1.34 0.00 0.00 72.50 71.50 1h47 s THR 133 CO 0.02 0.00 1.49 0.35 -0.54 0.00 0.00 174.62 175.94 1h47 n THR 134 N -2.21 2.58 -3.91 3.99 -2.24 -1.26 -4.90 114.28 106.33 1h47 n THR 134 Ca 0.10 -2.70 -0.29 0.00 -2.27 0.00 0.00 64.05 58.89 1h47 n THR 134 Cb 0.60 -0.33 0.02 0.00 -2.10 0.00 0.00 70.33 68.52 1h47 n THR 134 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1h47 n GLU 135 N -1.11 -4.87 -0.97 -0.78 -0.58 -1.26 -0.76 120.64 110.32 1h47 n GLU 135 Ca 0.34 0.55 0.00 0.00 -0.42 0.00 0.00 57.16 57.64 1h47 n GLU 135 Cb 1.07 -5.27 0.00 0.00 -0.57 0.00 0.00 31.44 26.66 1h47 n GLU 135 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1h47 n LYS 136 N -4.53 -0.23 -3.94 3.49 4.76 -1.26 -5.01 118.16 111.44 1h47 n LYS 136 Ca -0.06 0.06 -0.32 0.00 -2.87 0.00 0.00 58.31 55.11 1h47 n LYS 136 Cb 0.57 -3.17 -0.05 0.00 -1.84 0.00 0.00 35.03 30.54 1h47 n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1h47 s LEU 137 N 0.00 4.29 0.00 -0.35 1.43 0.06 -3.98 118.68 120.13 1h47 s LEU 137 Ca 0.00 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 1h47 s LEU 137 Cb 0.00 -2.76 0.00 0.00 0.03 0.00 0.00 46.19 43.46 1h47 s LEU 137 CO 0.00 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.40 1h47 n GLY 138 N 0.58 -2.08 0.25 -3.19 0.00 -1.26 -1.66 105.19 97.82 1h47 n GLY 138 Ca -0.08 -1.42 0.02 0.00 0.00 0.00 0.00 46.02 44.54 1h47 n GLY 138 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1h47 h PHE 139 N -0.12 0.31 -0.27 1.61 -0.00 -1.96 -1.23 116.94 115.27 1h47 h PHE 139 Ca 0.00 -0.03 -0.18 0.00 -0.00 0.00 0.00 57.97 57.76 1h47 h PHE 139 Cb 0.12 -0.09 -0.00 0.00 -0.00 0.00 0.00 35.95 35.98 1h47 h PHE 139 CO 0.00 0.41 -0.55 1.79 -0.00 0.00 0.00 178.31 179.96 1h47 h THR 140 N 0.29 1.28 -0.00 0.88 1.35 -1.77 -1.46 112.91 113.47 1h47 h THR 140 Ca 0.06 -1.74 -0.08 0.00 -0.55 0.00 0.00 66.41 64.09 1h47 h THR 140 Cb 0.37 1.65 -0.01 0.00 -1.73 0.00 0.00 68.15 68.43 1h47 h THR 140 CO 0.02 0.56 -0.39 1.23 -0.25 0.00 0.00 175.52 176.70 1h47 h GLY 141 N 0.75 0.01 1.17 5.82 0.00 -0.77 -1.82 103.07 108.24 1h47 h GLY 141 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1h47 h GLY 141 CO 0.12 0.01 -0.01 0.54 0.00 0.00 0.00 176.54 177.19 1h47 n ARG 142 N -4.08 0.76 -1.64 4.80 1.74 -0.51 -4.46 116.66 113.26 1h47 n ARG 142 Ca -0.02 -0.06 -0.03 0.00 -0.77 0.00 0.00 57.85 56.97 1h47 n ARG 142 Cb 0.42 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.36 1h47 n ARG 142 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1h47 n GLY 143 N 1.15 0.40 0.10 -0.13 0.00 -0.68 -4.94 105.19 101.09 1h47 n GLY 143 Ca 0.19 -0.85 -0.01 0.00 0.00 0.00 0.00 46.02 45.34 1h47 n GLY 143 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1h47 h GLU 144 N 0.00 0.00 0.00 1.61 5.08 -1.47 -3.46 114.58 116.34 1h47 h GLU 144 Ca -0.06 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.45 1h47 h GLU 144 Cb 0.68 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 1h47 h GLU 144 CO 0.08 0.43 0.57 0.41 -1.00 0.00 0.00 179.01 179.50 1h47 n GLY 145 N 1.38 0.62 3.23 -3.84 0.00 -1.24 -0.58 105.19 104.76 1h47 n GLY 145 Ca -0.07 -1.15 -0.21 0.00 0.00 0.00 0.00 46.02 44.58 1h47 n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h47 s ILE 146 N -2.07 1.41 0.35 -0.61 1.01 -0.22 -4.39 121.20 116.69 1h47 s ILE 146 Ca 0.22 -1.42 0.04 0.00 0.00 0.00 0.00 60.65 59.49 1h47 s ILE 146 Cb -0.03 -1.31 -0.06 0.00 0.01 0.00 0.00 42.46 41.07 1h47 s ILE 146 CO 0.06 -0.14 0.06 0.00 0.00 0.00 0.00 174.94 174.92 1h47 s ALA 147 N -1.22 2.58 -0.23 9.38 0.00 -0.36 -1.54 121.76 130.38 1h47 s ALA 147 Ca 0.02 -1.92 -0.23 0.00 0.00 0.00 0.00 51.96 49.84 1h47 s ALA 147 Cb -0.10 0.60 0.06 0.00 0.00 0.00 0.00 23.12 23.68 1h47 s ALA 147 CO 0.03 -0.28 0.64 0.00 0.00 0.00 0.00 175.76 176.15 1h47 s GLU 149 N 0.27 1.41 -0.02 0.00 2.02 0.42 -1.50 118.70 121.29 1h47 s GLU 149 Ca -0.01 -1.39 -0.14 0.00 0.02 0.00 0.00 54.97 53.46 1h47 s GLU 149 Cb -0.04 -1.81 0.02 0.00 0.10 0.00 0.00 34.13 32.39 1h47 s GLU 149 CO 0.01 0.42 0.29 0.00 0.02 0.00 0.00 175.26 176.00 1h47 s ALA 150 N -1.29 -0.74 0.12 5.21 0.00 -0.48 0.40 121.76 124.98 1h47 s ALA 150 Ca 0.15 0.32 0.05 0.00 0.00 0.00 0.00 51.96 52.48 1h47 s ALA 150 Cb -0.09 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 1h47 s ALA 150 CO 0.07 -0.25 -0.12 0.14 0.00 0.00 0.00 175.76 175.61 1h47 s VAL 151 N -1.22 1.17 -0.01 0.00 -7.23 0.07 -0.83 120.40 112.34 1h47 s VAL 151 Ca -0.13 -1.79 -0.11 0.00 -1.81 0.00 0.00 61.98 58.14 1h47 s VAL 151 Cb -0.05 -1.57 0.01 0.00 0.56 0.00 0.00 36.38 35.33 1h47 s VAL 151 CO 0.04 -0.55 0.22 0.00 -0.31 0.00 0.00 175.10 174.50 1h47 s ALA 152 N -2.56 -0.55 -0.13 1.32 0.00 -0.50 -1.31 121.76 118.02 1h47 s ALA 152 Ca 0.10 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1h47 s ALA 152 Cb -0.02 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.19 1h47 s ALA 152 CO 0.02 -0.23 -0.13 -1.17 0.00 0.00 0.00 175.76 174.25 1h47 s LEU 153 N -1.29 1.58 0.18 0.00 2.96 -0.15 -1.21 118.68 120.74 1h47 s LEU 153 Ca -0.14 -0.44 0.04 0.00 -0.22 0.00 0.00 54.13 53.38 1h47 s LEU 153 Cb -0.06 -1.09 -0.04 0.00 0.50 0.00 0.00 46.19 45.50 1h47 s LEU 153 CO 0.03 -0.06 0.22 -0.76 -1.32 0.00 0.00 176.35 174.46 1h47 s LEU 154 N 1.46 4.05 0.05 -0.68 1.43 -0.34 -0.86 118.68 123.80 1h47 s LEU 154 Ca 0.03 -0.02 0.08 0.00 -1.03 0.00 0.00 54.13 53.19 1h47 s LEU 154 Cb -0.13 -2.63 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 1h47 s LEU 154 CO -0.09 0.03 -0.22 -0.63 0.23 0.00 0.00 176.35 175.67 1h47 s ILE 155 N -1.84 2.51 0.00 -0.59 1.01 0.18 -1.63 121.20 120.84 1h47 s ILE 155 Ca 0.33 -1.33 0.00 0.00 0.00 0.00 0.00 60.65 59.65 1h47 s ILE 155 Cb -0.10 -2.04 0.00 0.00 0.01 0.00 0.00 42.46 40.33 1h47 s ILE 155 CO 0.26 0.31 0.46 2.29 0.00 0.00 0.00 174.94 178.26