#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 1.93 -0.00 5.31 1.00 -1.26 -0.56 119.30 125.72 1h47 s MET 1 Ca 0.00 -1.20 0.02 0.00 0.00 0.00 0.00 55.69 54.51 1h47 s MET 1 Cb 0.00 -2.15 -0.00 0.00 0.00 0.00 0.00 34.83 32.67 1h47 s MET 1 CO 0.00 0.47 -0.06 1.03 0.00 0.00 0.00 175.02 176.46 1h47 s ARG 2 N -2.43 0.46 -0.02 2.03 1.81 -0.14 -4.96 118.95 115.71 1h47 s ARG 2 Ca 0.21 -0.20 -0.03 0.00 -1.72 0.00 0.00 55.73 54.00 1h47 s ARG 2 Cb -0.10 -0.44 -0.04 0.00 -0.45 0.00 0.00 34.95 33.92 1h47 s ARG 2 CO 0.13 0.12 0.16 -1.50 -0.68 0.00 0.00 175.30 173.52 1h47 s ILE 3 N -0.11 5.30 0.05 1.52 1.10 -1.26 -1.19 121.20 126.60 1h47 s ILE 3 Ca 0.02 -0.19 -0.01 0.00 -0.51 0.00 0.00 60.65 59.97 1h47 s ILE 3 Cb -0.02 -3.46 -0.04 0.00 0.15 0.00 0.00 42.46 39.09 1h47 s ILE 3 CO -0.00 0.35 -0.03 -0.83 -2.11 0.00 0.00 174.94 172.32 1h47 s GLY 4 N -1.84 0.44 -0.01 1.50 0.00 -0.24 -3.79 107.32 103.37 1h47 s GLY 4 Ca 0.26 -1.12 0.01 0.00 0.00 0.00 0.00 44.72 43.87 1h47 s GLY 4 CO 0.17 -1.22 -0.04 -1.58 0.00 0.00 0.00 173.10 170.42 1h47 s HIS 5 N -3.55 0.45 0.12 1.90 2.46 -1.25 -1.34 115.29 114.08 1h47 s HIS 5 Ca 0.04 -0.08 0.03 0.00 0.47 0.00 0.00 55.06 55.52 1h47 s HIS 5 Cb 0.05 -0.34 -0.04 0.00 -0.13 0.00 0.00 32.58 32.12 1h47 s HIS 5 CO -0.09 -0.04 -0.09 0.20 -2.47 0.00 0.00 174.74 172.25 1h47 s GLY 6 N 0.15 0.93 -0.11 1.59 0.00 -0.31 -3.79 107.32 105.77 1h47 s GLY 6 Ca -0.01 -1.39 -0.09 0.00 0.00 0.00 0.00 44.72 43.23 1h47 s GLY 6 CO -0.00 -1.49 0.29 -0.12 0.00 0.00 0.00 173.10 171.78 1h47 s PHE 7 N -3.26 -0.34 0.05 1.90 5.36 -1.26 -1.08 117.98 119.35 1h47 s PHE 7 Ca 0.13 0.82 -0.12 0.00 -0.96 0.00 0.00 56.93 56.80 1h47 s PHE 7 Cb 0.02 0.11 0.01 0.00 -0.34 0.00 0.00 43.02 42.82 1h47 s PHE 7 CO -0.01 -0.19 0.25 0.34 -1.46 0.00 0.00 175.22 174.15 1h47 s ASP 8 N 0.57 -0.04 0.00 6.13 2.15 -0.67 -4.75 116.67 120.07 1h47 s ASP 8 Ca -0.03 -0.31 0.00 0.00 0.43 0.00 0.00 52.55 52.64 1h47 s ASP 8 Cb -0.05 0.33 -0.00 0.00 -0.30 0.00 0.00 42.92 42.90 1h47 s ASP 8 CO -0.03 -0.61 -0.01 -0.69 -0.17 0.00 0.00 175.17 173.65 1h47 s VAL 9 N -2.73 0.08 0.00 1.11 1.01 -1.26 -1.49 120.40 117.12 1h47 s VAL 9 Ca -0.04 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 61.84 1h47 s VAL 9 Cb -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 36.38 36.27 1h47 s VAL 9 CO -0.05 -0.04 -0.12 -1.00 0.00 0.00 0.00 175.10 173.90 1h47 s HIS 10 N -0.18 1.06 0.03 5.22 3.76 -0.76 -5.01 115.29 119.41 1h47 s HIS 10 Ca -0.01 -0.24 -0.19 0.00 -0.15 0.00 0.00 55.06 54.47 1h47 s HIS 10 Cb -0.01 -0.67 -0.06 0.00 1.11 0.00 0.00 32.58 32.95 1h47 s HIS 10 CO -0.00 -0.01 0.56 0.00 -0.85 0.00 0.00 174.74 174.44 1h47 s ALA 11 N -0.44 3.56 0.62 -1.40 0.00 -1.26 -1.58 121.76 121.27 1h47 s ALA 11 Ca 0.03 -0.01 -0.18 0.00 0.00 0.00 0.00 51.96 51.81 1h47 s ALA 11 Cb -0.05 -2.65 -0.02 0.00 0.00 0.00 0.00 23.12 20.40 1h47 s ALA 11 CO -0.00 0.30 1.20 -0.06 0.00 0.00 0.00 175.76 177.20 1h47 s PHE 12 N -0.67 2.35 0.00 0.00 0.08 -0.23 -0.64 117.98 118.87 1h47 s PHE 12 Ca 0.29 1.53 0.00 0.00 0.12 0.00 0.00 56.93 58.87 1h47 s PHE 12 Cb -0.18 -3.46 0.00 0.00 -0.57 0.00 0.00 43.02 38.81 1h47 s PHE 12 CO 0.17 -2.24 0.00 0.41 -0.10 0.00 0.00 175.22 173.46 1h47 n GLY 13 N 0.41 1.71 7.00 4.36 0.00 -0.79 -4.64 105.19 113.24 1h47 n GLY 13 Ca 0.13 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.28 -1.04 3.89 -0.02 0.00 -1.26 -2.96 105.19 103.51 1h47 n GLY 14 Ca 0.00 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 1h47 n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h47 s GLU 15 N 0.00 3.72 0.00 1.61 2.02 -1.26 -2.83 118.70 121.96 1h47 s GLU 15 Ca 0.00 0.17 0.00 0.00 0.02 0.00 0.00 54.97 55.16 1h47 s GLU 15 Cb 0.00 -2.63 0.00 0.00 0.10 0.00 0.00 34.13 31.60 1h47 s GLU 15 CO 0.00 0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.94 1h47 n GLY 16 N -0.55 -2.99 0.00 -1.39 0.00 -1.20 -2.00 105.19 97.06 1h47 n GLY 16 Ca -0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1h47 n GLY 16 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1h47 n PRO 17 N 0.00 0.00 -2.75 1.61 -0.02 -1.26 -4.62 135.00 127.96 1h47 n PRO 17 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.22 1h47 n PRO 17 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.49 1h47 n PRO 17 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1h47 s ILE 18 N 0.00 4.42 -0.14 4.25 -4.36 -0.68 -4.68 121.20 120.02 1h47 s ILE 18 Ca 0.00 -0.09 0.00 0.00 -0.26 0.00 0.00 60.65 60.30 1h47 s ILE 18 Cb 0.00 -3.68 0.02 0.00 1.25 0.00 0.00 42.46 40.06 1h47 s ILE 18 CO 0.00 -0.60 -0.12 -0.63 0.24 0.00 0.00 174.94 173.83 1h47 s ILE 19 N -2.71 1.36 -0.07 8.37 1.09 -1.26 0.11 121.20 128.09 1h47 s ILE 19 Ca 0.48 -0.50 0.01 0.00 -1.10 0.00 0.00 60.65 59.54 1h47 s ILE 19 Cb -0.10 -1.31 0.02 0.00 -1.06 0.00 0.00 42.46 40.01 1h47 s ILE 19 CO 0.42 0.42 -0.07 -0.63 -0.10 0.00 0.00 174.94 174.98 1h47 s ILE 20 N 1.57 0.82 -1.44 2.92 -1.09 -0.49 -3.77 121.20 119.71 1h47 s ILE 20 Ca 0.05 -0.24 -0.06 0.00 -2.23 0.00 0.00 60.65 58.17 1h47 s ILE 20 Cb -0.13 -0.82 0.03 0.00 -1.58 0.00 0.00 42.46 39.96 1h47 s ILE 20 CO -0.10 0.30 0.56 0.61 -1.23 0.00 0.00 174.94 175.09 1h47 n GLY 21 N 4.35 -0.51 3.29 6.18 0.00 -1.26 -1.28 105.19 115.96 1h47 n GLY 21 Ca -0.19 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.38 1.00 3.64 -0.02 0.00 -1.26 -4.31 105.19 102.86 1h47 n GLY 22 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.14 5.06 -0.10 1.61 1.01 -0.40 -5.04 120.40 119.39 1h47 s VAL 23 Ca 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 1h47 s VAL 23 Cb 0.00 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 1h47 s VAL 23 CO 0.00 0.40 1.04 -0.13 0.00 0.00 0.00 175.10 176.41 1h47 s ARG 24 N 0.76 4.40 -0.21 2.72 0.52 -1.26 -1.40 118.95 124.48 1h47 s ARG 24 Ca 0.06 1.43 0.02 0.00 -0.52 0.00 0.00 55.73 56.72 1h47 s ARG 24 Cb -0.13 -3.55 0.04 0.00 0.52 0.00 0.00 34.95 31.83 1h47 s ARG 24 CO 0.02 -0.35 -0.14 0.42 0.02 0.00 0.00 175.30 175.26 1h47 s ILE 25 N 2.10 1.98 0.23 1.52 1.01 0.12 -4.97 121.20 123.19 1h47 s ILE 25 Ca 0.49 -1.18 -0.30 0.00 0.00 0.00 0.00 60.65 59.66 1h47 s ILE 25 Cb -0.19 -1.96 -0.15 0.00 0.01 0.00 0.00 42.46 40.17 1h47 s ILE 25 CO 0.18 0.26 1.07 -2.65 0.00 0.00 0.00 174.94 173.79 1h47 n PRO 26 N 4.58 1.22 -3.47 2.79 -0.02 -1.26 -1.68 135.00 137.16 1h47 n PRO 26 Ca -0.17 0.43 -0.13 0.00 -2.02 0.00 0.00 63.50 61.61 1h47 n PRO 26 Cb 0.46 -1.85 -0.03 0.00 -0.02 0.00 0.00 33.50 32.06 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 -0.62 -0.55 0.53 6.00 5.04 -1.26 -4.82 117.35 121.67 1h47 s TYR 27 Ca 0.66 0.58 0.19 0.00 -2.44 0.00 0.00 57.07 56.06 1h47 s TYR 27 Cb -0.78 0.51 1.36 0.00 0.35 0.00 0.00 41.96 43.40 1h47 s TYR 27 CO 0.56 -0.73 2.14 0.93 -1.34 0.00 0.00 175.55 177.11 1h47 h GLU 28 N 2.33 0.00 -5.73 4.97 3.07 -1.96 -3.18 114.58 114.09 1h47 h GLU 28 Ca -0.30 0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 58.08 1h47 h GLU 28 Cb 1.24 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 28.99 1h47 h GLU 28 CO 0.37 0.00 -0.76 0.15 -1.40 0.00 0.00 179.01 177.38 1h47 s LYS 29 N -5.00 1.29 0.15 2.33 1.02 -1.26 -3.52 119.74 114.75 1h47 s LYS 29 Ca -0.05 -1.48 0.02 0.00 0.02 0.00 0.00 55.97 54.47 1h47 s LYS 29 Cb 0.17 -1.21 0.03 0.00 -0.52 0.00 0.00 37.83 36.30 1h47 s LYS 29 CO 0.66 0.22 0.21 0.41 -0.92 0.00 0.00 175.35 175.93 1h47 n GLY 30 N -0.02 1.62 3.31 -3.33 0.00 -0.85 -3.59 105.19 102.34 1h47 n GLY 30 Ca -0.11 -2.11 -0.35 0.00 0.00 0.00 0.00 46.02 43.45 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 3.19 -0.00 0.99 1.43 -1.26 -1.89 118.68 121.13 1h47 s LEU 31 Ca 0.15 -0.52 -0.33 0.00 -1.03 0.00 0.00 54.13 52.40 1h47 s LEU 31 Cb -0.01 -1.77 -0.11 0.00 0.03 0.00 0.00 46.19 44.32 1h47 s LEU 31 CO 0.10 -0.07 1.85 0.18 0.23 0.00 0.00 176.35 178.63 1h47 n LEU 32 N 4.80 3.62 -3.54 1.79 4.77 0.19 -4.65 117.00 123.98 1h47 n LEU 32 Ca -0.17 0.98 -0.07 0.00 -0.03 0.00 0.00 56.01 56.72 1h47 n LEU 32 Cb 0.50 -1.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.14 1h47 n LEU 32 CO 0.29 -0.01 0.75 0.00 -1.33 0.00 0.00 177.39 177.10 1h47 s ALA 33 N 3.52 -1.86 0.17 -1.18 0.00 -1.26 -4.23 121.76 116.92 1h47 s ALA 33 Ca 0.89 1.03 0.35 0.00 0.00 0.00 0.00 51.96 54.22 1h47 s ALA 33 Cb -0.61 0.35 1.60 0.00 0.00 0.00 0.00 23.12 24.45 1h47 s ALA 33 CO 0.46 -0.71 2.04 0.45 0.00 0.00 0.00 175.76 178.00 1h47 h HIS 34 N 2.00 0.00 -0.74 0.00 -0.00 -2.04 -3.43 115.15 110.93 1h47 h HIS 34 Ca -0.20 0.00 -0.52 0.00 -0.00 0.00 0.00 60.37 59.65 1h47 h HIS 34 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.64 1h47 h HIS 34 CO 0.27 0.00 -0.17 -1.54 -0.00 0.00 0.00 177.93 176.49 1h47 s SER 35 N -5.32 4.96 0.00 2.45 1.04 -1.26 -4.75 113.70 110.81 1h47 s SER 35 Ca -0.00 -0.97 0.13 0.00 0.48 0.00 0.00 55.95 55.59 1h47 s SER 35 Cb 0.10 0.30 0.61 0.00 0.10 0.00 0.00 66.02 67.13 1h47 s SER 35 CO 0.48 -1.24 1.37 -0.90 0.98 0.00 0.00 173.24 173.93 1h47 n ASP 36 N -2.06 0.00 -0.04 7.02 5.68 -1.26 -4.87 116.55 121.02 1h47 n ASP 36 Ca 0.10 0.27 -0.00 0.00 -0.50 0.00 0.00 54.79 54.65 1h47 n ASP 36 Cb 0.62 -0.38 -0.00 0.00 -1.14 0.00 0.00 41.12 40.23 1h47 n ASP 36 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h47 n GLY 37 N -0.18 0.39 3.57 6.12 0.00 -1.26 -4.56 105.19 109.27 1h47 n GLY 37 Ca 0.05 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.99 6.57 0.33 1.61 -1.08 -1.25 -4.79 116.67 115.08 1h47 s ASP 38 Ca 0.00 -1.73 0.05 0.00 -0.52 0.00 0.00 52.55 50.35 1h47 s ASP 38 Cb 0.00 -2.57 0.69 0.00 -1.46 0.00 0.00 42.92 39.58 1h47 s ASP 38 CO 0.00 -1.43 1.89 -0.37 0.52 0.00 0.00 175.17 175.78 1h47 h VAL 39 N 6.44 0.94 -0.16 1.11 -1.51 -1.93 -1.71 116.25 119.45 1h47 h VAL 39 Ca 0.27 -0.29 -0.04 0.00 -1.23 0.00 0.00 66.70 65.42 1h47 h VAL 39 Cb 0.97 0.04 -0.00 0.00 -2.13 0.00 0.00 31.29 30.16 1h47 h VAL 39 CO 1.43 0.15 -0.06 0.00 -1.23 0.00 0.00 177.57 177.87 1h47 h ALA 40 N 1.57 0.22 -0.03 5.19 0.00 -1.89 -1.47 119.26 122.85 1h47 h ALA 40 Ca 0.41 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1h47 h ALA 40 Cb 0.46 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1h47 h ALA 40 CO -0.18 -0.00 -0.56 -0.07 0.00 0.00 0.00 179.25 178.44 1h47 h LEU 41 N -0.00 0.09 -0.07 0.00 3.38 -1.88 -1.11 115.31 115.72 1h47 h LEU 41 Ca 0.04 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1h47 h LEU 41 Cb 0.51 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1h47 h LEU 41 CO 0.02 0.63 -0.03 0.45 0.09 0.00 0.00 178.44 179.60 1h47 h HIS 42 N 0.07 0.17 -0.49 1.13 3.86 -1.33 0.68 115.15 119.24 1h47 h HIS 42 Ca -0.00 -0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.20 1h47 h HIS 42 Cb 1.00 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 29.40 1h47 h HIS 42 CO 0.01 0.52 0.27 0.00 0.86 0.00 0.00 177.93 179.59 1h47 h ALA 43 N 0.62 0.63 -0.55 2.45 0.00 -1.22 -1.18 119.26 120.01 1h47 h ALA 43 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1h47 h ALA 43 Cb 0.48 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1h47 h ALA 43 CO 0.01 -0.06 0.35 1.25 0.00 0.00 0.00 179.25 180.81 1h47 h LEU 44 N 0.53 0.65 -0.56 0.00 5.85 -1.14 -1.11 115.31 119.52 1h47 h LEU 44 Ca 0.21 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1h47 h LEU 44 Cb 0.08 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1h47 h LEU 44 CO -0.12 0.49 0.26 0.74 -0.34 0.00 0.00 178.44 179.46 1h47 h THR 45 N 0.75 1.21 -0.53 1.05 2.02 -0.23 -1.44 112.91 115.73 1h47 h THR 45 Ca 0.20 -0.61 -0.06 0.00 0.77 0.00 0.00 66.41 66.71 1h47 h THR 45 Cb -0.06 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 1h47 h THR 45 CO -0.04 0.24 0.08 0.44 0.37 0.00 0.00 175.52 176.61 1h47 h ASP 46 N 0.76 0.79 -0.35 4.18 3.32 -0.94 -0.09 116.42 124.09 1h47 h ASP 46 Ca 0.19 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 1h47 h ASP 46 Cb 0.14 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1h47 h ASP 46 CO -0.02 0.81 -0.15 0.00 -1.72 0.00 0.00 179.24 178.16 1h47 h ALA 47 N 1.29 0.93 -0.27 3.45 0.00 -0.60 0.17 119.26 124.23 1h47 h ALA 47 Ca 0.17 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1h47 h ALA 47 Cb 0.36 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1h47 h ALA 47 CO 0.01 0.62 -0.08 -0.07 0.00 0.00 0.00 179.25 179.73 1h47 h LEU 48 N 0.72 0.53 -0.65 0.00 3.38 -0.94 -1.43 115.31 116.91 1h47 h LEU 48 Ca 0.11 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 1h47 h LEU 48 Cb 0.65 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1h47 h LEU 48 CO 0.05 0.78 0.06 -0.07 0.09 0.00 0.00 178.44 179.35 1h47 h LEU 49 N 0.27 1.08 -0.84 1.67 3.38 -0.91 -2.63 115.31 117.33 1h47 h LEU 49 Ca 0.07 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 1h47 h LEU 49 Cb 0.56 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1h47 h LEU 49 CO 0.03 1.09 0.20 1.23 0.09 0.00 0.00 178.44 181.07 1h47 h GLY 50 N 1.03 1.15 2.00 0.83 0.00 -0.53 -0.16 103.07 107.39 1h47 h GLY 50 Ca 0.19 -0.68 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 1h47 h GLY 50 CO 0.02 0.63 -0.24 0.00 0.00 0.00 0.00 176.54 176.95 1h47 h ALA 51 N 1.19 1.53 -0.04 3.60 0.00 -0.92 -2.38 119.26 122.24 1h47 h ALA 51 Ca 0.22 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h47 h ALA 51 Cb 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1h47 h ALA 51 CO -0.01 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.55 1h47 n ALA 52 N -2.46 2.57 -3.96 0.00 0.00 -0.82 -4.65 120.51 111.19 1h47 n ALA 52 Ca -0.02 -0.46 -0.28 0.00 0.00 0.00 0.00 53.44 52.69 1h47 n ALA 52 Cb 0.30 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 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 0.19 -1.74 -0.30 0.00 0.00 -0.79 -4.91 120.51 112.96 1h47 n ALA 53 Ca 0.19 -0.13 0.07 0.00 0.00 0.00 0.00 53.44 53.57 1h47 n ALA 53 Cb 0.35 -2.44 0.21 0.00 0.00 0.00 0.00 19.45 17.57 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 -4.42 3.33 0.00 0.00 4.77 -0.14 -5.03 117.00 115.51 1h47 n LEU 54 Ca -0.18 -2.08 0.00 0.00 -0.03 0.00 0.00 56.01 53.72 1h47 n LEU 54 Cb 0.62 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1h47 n LEU 54 CO 0.76 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 178.23 1h47 n GLY 55 N 0.75 1.05 3.62 -0.72 0.00 -1.25 -4.74 105.19 103.90 1h47 n GLY 55 Ca 0.16 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 45.16 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 0.25 0.26 1.61 1.47 -1.26 -4.09 116.67 110.91 1h47 s ASP 56 Ca 0.00 -1.14 -0.03 0.00 1.18 0.00 0.00 52.55 52.56 1h47 s ASP 56 Cb 0.00 0.68 0.39 0.00 -0.34 0.00 0.00 42.92 43.65 1h47 s ASP 56 CO 0.00 -1.33 1.88 -0.29 0.68 0.00 0.00 175.17 176.11 1h47 h ILE 57 N 2.13 1.10 -0.67 2.11 2.10 -1.92 -1.95 117.51 120.41 1h47 h ILE 57 Ca -0.28 -0.40 0.05 0.00 1.08 0.00 0.00 64.86 65.31 1h47 h ILE 57 Cb 1.25 -0.18 -0.05 0.00 -1.09 0.00 0.00 36.82 36.75 1h47 h ILE 57 CO 0.37 0.21 0.39 1.23 -1.08 0.00 0.00 178.15 179.27 1h47 h GLY 58 N 1.17 0.98 0.92 8.18 0.00 -1.97 -1.19 103.07 111.16 1h47 h GLY 58 Ca 0.42 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.44 1h47 h GLY 58 CO -0.17 0.20 0.10 1.70 0.00 0.00 0.00 176.54 178.37 1h47 h LYS 59 N 0.74 0.54 -0.18 4.80 3.64 -1.79 -2.54 116.57 121.78 1h47 h LYS 59 Ca 0.29 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1h47 h LYS 59 Cb 0.13 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1h47 h LYS 59 CO -0.15 0.58 -0.14 -0.07 -2.27 0.00 0.00 179.45 177.39 1h47 h LEU 60 N 0.41 0.28 -5.96 5.20 4.07 -1.18 -3.36 115.31 114.77 1h47 h LEU 60 Ca 0.11 -0.06 -0.55 0.00 0.08 0.00 0.00 57.88 57.46 1h47 h LEU 60 Cb 0.27 -0.07 -0.40 0.00 1.08 0.00 0.00 40.66 41.53 1h47 h LEU 60 CO -0.00 0.45 -1.01 0.49 -1.08 0.00 0.00 178.44 177.28 1h47 n PHE 61 N -4.24 0.81 -2.13 1.13 3.72 -0.47 -5.07 117.46 111.20 1h47 n PHE 61 Ca -0.00 -3.77 -0.35 0.00 -0.05 0.00 0.00 57.45 53.28 1h47 n PHE 61 Cb 0.29 -0.41 0.01 0.00 -0.94 0.00 0.00 39.48 38.43 1h47 n PHE 61 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1h47 s PRO 62 N -1.95 3.20 0.16 -1.08 0.04 -0.97 -4.72 135.00 129.67 1h47 s PRO 62 Ca 0.39 1.60 0.10 0.00 0.04 0.00 0.00 61.00 63.13 1h47 s PRO 62 Cb 0.23 -1.99 0.56 0.00 0.04 0.00 0.00 34.50 33.34 1h47 s PRO 62 CO -0.09 -0.97 1.31 -3.47 0.04 0.00 0.00 177.00 173.82 1h47 n ASP 63 N -1.55 0.27 -0.25 6.66 2.03 -1.26 -1.28 116.55 121.17 1h47 n ASP 63 Ca 0.12 0.62 0.15 0.00 0.52 0.00 0.00 54.79 56.19 1h47 n ASP 63 Cb 0.51 -0.65 0.68 0.00 -0.72 0.00 0.00 41.12 40.94 1h47 n ASP 63 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1h47 n THR 64 N -1.86 0.00 -3.83 5.18 5.66 -1.26 -4.73 114.28 113.44 1h47 n THR 64 Ca -0.01 -0.13 -0.36 0.00 -3.05 0.00 0.00 64.05 60.50 1h47 n THR 64 Cb 0.03 0.06 -0.13 0.00 -1.55 0.00 0.00 70.33 68.74 1h47 n THR 64 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1h47 s ASP 65 N -2.08 4.80 0.48 1.09 3.68 -0.40 -5.00 116.67 119.23 1h47 s ASP 65 Ca 0.40 -0.66 0.21 0.00 2.13 0.00 0.00 52.55 54.63 1h47 s ASP 65 Cb 0.21 -1.81 1.21 0.00 -1.45 0.00 0.00 42.92 41.09 1h47 s ASP 65 CO 0.37 -0.14 2.02 1.55 0.13 0.00 0.00 175.17 179.11 1h47 h PRO 66 N 8.16 0.00 -0.20 4.34 0.13 -1.87 -3.33 132.00 139.23 1h47 h PRO 66 Ca -0.34 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.85 1h47 h PRO 66 Cb 1.13 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.19 1h47 h PRO 66 CO 0.59 0.17 -0.31 0.00 -0.23 0.00 0.00 178.00 178.22 1h47 h ALA 67 N 1.83 -0.30 -0.65 -0.56 0.00 -1.96 -2.05 119.26 115.58 1h47 h ALA 67 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1h47 h ALA 67 Cb 0.35 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1h47 h ALA 67 CO 0.02 -0.76 0.00 1.19 0.00 0.00 0.00 179.25 179.70 1h47 n PHE 68 N -5.41 0.93 -1.64 0.00 3.72 -1.26 -4.86 117.46 108.94 1h47 n PHE 68 Ca -0.02 -0.51 -0.42 0.00 -0.05 0.00 0.00 57.45 56.44 1h47 n PHE 68 Cb 0.32 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.80 1h47 n PHE 68 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1h47 n LYS 69 N 1.37 2.57 -0.95 -1.08 4.81 -0.77 -0.29 118.16 123.81 1h47 n LYS 69 Ca 0.22 0.88 0.00 0.00 -0.87 0.00 0.00 58.31 58.54 1h47 n LYS 69 Cb 0.61 -3.09 0.00 0.00 0.02 0.00 0.00 35.03 32.58 1h47 n LYS 69 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1h47 n GLY 70 N 4.96 0.63 3.77 3.14 0.00 -1.26 -5.03 105.19 111.40 1h47 n GLY 70 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.46 3.17 0.96 4.61 0.00 0.60 -5.02 121.76 123.61 1h47 s ALA 71 Ca 0.00 1.15 -0.12 0.00 0.00 0.00 0.00 51.96 52.99 1h47 s ALA 71 Cb 0.00 -3.46 0.16 0.00 0.00 0.00 0.00 23.12 19.83 1h47 s ALA 71 CO 0.00 -0.79 1.10 0.16 0.00 0.00 0.00 175.76 176.23 1h47 s ASP 72 N -0.91 2.99 0.36 0.00 1.47 -1.26 -4.75 116.67 114.58 1h47 s ASP 72 Ca 0.59 1.21 0.17 0.00 1.18 0.00 0.00 52.55 55.71 1h47 s ASP 72 Cb -0.36 -1.87 0.65 0.00 -0.34 0.00 0.00 42.92 41.00 1h47 s ASP 72 CO 0.45 -2.90 1.73 0.28 0.68 0.00 0.00 175.17 175.40 1h47 h SER 73 N -1.74 0.00 0.17 2.11 0.02 -1.96 -2.35 113.55 109.81 1h47 h SER 73 Ca -0.53 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.28 1h47 h SER 73 Cb 1.32 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 1h47 h SER 73 CO 0.58 0.40 -0.54 0.03 -1.14 0.00 0.00 176.83 176.16 1h47 h ARG 74 N 0.00 0.40 -0.52 3.45 3.08 -1.97 -1.10 114.38 117.72 1h47 h ARG 74 Ca -0.00 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 59.76 1h47 h ARG 74 Cb 0.90 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.96 1h47 h ARG 74 CO 0.05 0.84 0.16 0.93 -1.07 0.00 0.00 179.97 180.88 1h47 h GLU 75 N 0.31 0.82 -0.77 0.04 5.08 -1.81 -1.75 114.58 116.49 1h47 h GLU 75 Ca 0.01 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1h47 h GLU 75 Cb 1.05 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 1h47 h GLU 75 CO 0.09 0.76 0.42 -0.07 -1.00 0.00 0.00 179.01 179.21 1h47 h LEU 76 N 0.72 0.96 -0.22 1.33 3.38 -1.31 -1.85 115.31 118.32 1h47 h LEU 76 Ca 0.17 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1h47 h LEU 76 Cb 0.29 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1h47 h LEU 76 CO -0.00 0.78 0.02 0.25 0.09 0.00 0.00 178.44 179.58 1h47 h LEU 77 N 1.06 0.36 -1.04 1.67 5.85 -1.06 -0.42 115.31 121.73 1h47 h LEU 77 Ca 0.27 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1h47 h LEU 77 Cb 0.04 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1h47 h LEU 77 CO -0.04 0.56 0.16 0.03 -0.34 0.00 0.00 178.44 178.81 1h47 h ARG 78 N 0.15 0.85 -0.09 1.25 3.08 -1.24 -0.32 114.38 118.06 1h47 h ARG 78 Ca 0.06 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 1h47 h ARG 78 Cb 0.37 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1h47 h ARG 78 CO 0.01 0.75 -0.18 1.49 -1.07 0.00 0.00 179.97 180.97 1h47 h GLU 79 N 0.82 0.28 -0.87 0.04 4.57 -1.08 -1.10 114.58 117.25 1h47 h GLU 79 Ca 0.18 -0.18 0.15 0.00 -1.18 0.00 0.00 59.36 58.34 1h47 h GLU 79 Cb 0.26 0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 28.78 1h47 h GLU 79 CO -0.01 0.77 0.45 0.00 -1.18 0.00 0.00 179.01 179.05 1h47 h ALA 80 N 0.51 1.33 -0.36 2.92 0.00 -0.97 -1.98 119.26 120.71 1h47 h ALA 80 Ca 0.00 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1h47 h ALA 80 Cb 0.76 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1h47 h ALA 80 CO 0.04 -0.10 -0.26 2.35 0.00 0.00 0.00 179.25 181.28 1h47 h TRP 81 N 0.63 0.85 -0.32 0.00 -0.00 -0.75 -0.69 115.95 115.66 1h47 h TRP 81 Ca 0.48 -0.20 0.00 0.00 -0.00 0.00 0.00 58.89 59.17 1h47 h TRP 81 Cb 0.70 -0.20 -0.02 0.00 -0.00 0.00 0.00 29.16 29.64 1h47 h TRP 81 CO -0.08 0.92 0.21 0.00 -0.00 0.00 0.00 178.44 179.49 1h47 h ARG 82 N 0.64 0.43 -0.41 2.65 3.08 -0.73 -0.36 114.38 119.68 1h47 h ARG 82 Ca 0.08 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 1h47 h ARG 82 Cb 0.77 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1h47 h ARG 82 CO 0.06 0.29 -0.03 0.00 -1.07 0.00 0.00 179.97 179.23 1h47 h ARG 83 N 0.43 0.67 -0.19 0.04 3.08 -1.10 0.09 114.38 117.39 1h47 h ARG 83 Ca 0.12 -0.17 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 1h47 h ARG 83 Cb -0.04 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 1h47 h ARG 83 CO -0.02 0.70 -0.13 0.82 -1.07 0.00 0.00 179.97 180.27 1h47 h ILE 84 N 0.63 1.32 -0.19 2.04 2.04 -0.74 -2.89 117.51 119.71 1h47 h ILE 84 Ca 0.12 -1.23 -0.05 0.00 1.00 0.00 0.00 64.86 64.71 1h47 h ILE 84 Cb 0.43 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1h47 h ILE 84 CO 0.02 0.37 -0.09 1.56 0.00 0.00 0.00 178.15 180.00 1h47 h GLN 85 N 0.09 0.30 -0.01 2.37 4.20 -0.89 -0.94 115.11 120.24 1h47 h GLN 85 Ca 0.04 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1h47 h GLN 85 Cb 0.63 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.37 1h47 h GLN 85 CO 0.03 0.41 0.02 0.00 -0.67 0.00 0.00 178.83 178.62 1h47 h ALA 86 N 1.62 1.21 -0.27 3.87 0.00 -0.78 -0.73 119.26 124.18 1h47 h ALA 86 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1h47 h ALA 86 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1h47 h ALA 86 CO 0.02 -0.02 0.00 1.17 0.00 0.00 0.00 179.25 180.42 1h47 n LYS 87 N -3.36 1.97 0.00 0.00 4.81 -0.36 -4.93 118.16 116.29 1h47 n LYS 87 Ca -0.03 -1.47 0.00 0.00 -0.87 0.00 0.00 58.31 55.94 1h47 n LYS 87 Cb 0.09 -1.41 0.00 0.00 0.02 0.00 0.00 35.03 33.73 1h47 n LYS 87 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1h47 n GLY 88 N 1.23 0.42 3.84 3.14 0.00 -0.28 -5.10 105.19 108.44 1h47 n GLY 88 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 3.51 0.37 1.61 2.02 -1.19 -4.63 117.35 117.04 1h47 s TYR 89 Ca 0.00 1.24 0.05 0.00 -0.37 0.00 0.00 57.07 57.99 1h47 s TYR 89 Cb 0.00 -2.53 -0.06 0.00 -0.40 0.00 0.00 41.96 38.97 1h47 s TYR 89 CO 0.00 0.24 0.04 0.95 -1.57 0.00 0.00 175.55 175.21 1h47 s THR 90 N -1.73 1.42 -0.02 -0.71 -4.23 -0.31 -4.22 115.64 105.83 1h47 s THR 90 Ca 0.47 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.71 1h47 s THR 90 Cb -0.13 -2.79 -0.03 0.00 1.34 0.00 0.00 72.50 70.88 1h47 s THR 90 CO 0.19 0.00 0.89 -0.22 -0.54 0.00 0.00 174.62 174.94 1h47 s LEU 91 N -3.60 4.35 0.00 4.79 2.96 -1.26 -0.99 118.68 124.93 1h47 s LEU 91 Ca 0.33 1.50 0.00 0.00 -0.22 0.00 0.00 54.13 55.74 1h47 s LEU 91 Cb 0.08 -3.41 0.00 0.00 0.50 0.00 0.00 46.19 43.36 1h47 s LEU 91 CO 0.15 -0.21 0.00 0.61 -1.32 0.00 0.00 176.35 175.58 1h47 n GLY 92 N 2.97 1.32 3.63 7.98 0.00 0.01 -4.72 105.19 116.38 1h47 n GLY 92 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.28 0.07 1.61 4.22 -0.99 -4.89 114.94 113.68 1h47 s ASN 93 Ca 0.00 -0.51 0.02 0.00 -2.14 0.00 0.00 52.86 50.23 1h47 s ASN 93 Cb 0.00 0.63 -0.03 0.00 1.28 0.00 0.00 41.25 43.13 1h47 s ASN 93 CO 0.00 -1.15 -0.08 0.68 -2.04 0.00 0.00 177.10 174.51 1h47 s VAL 94 N -3.89 0.65 -0.04 3.54 -7.23 -0.51 -1.65 120.40 111.27 1h47 s VAL 94 Ca 0.10 -1.45 -0.01 0.00 -1.81 0.00 0.00 61.98 58.81 1h47 s VAL 94 Cb -0.03 -1.09 0.03 0.00 0.56 0.00 0.00 36.38 35.86 1h47 s VAL 94 CO 0.00 -0.57 0.07 -0.62 -0.31 0.00 0.00 175.10 173.67 1h47 s ASP 95 N -2.20 0.01 0.06 4.85 2.15 -0.73 -1.77 116.67 119.03 1h47 s ASP 95 Ca -0.00 0.13 0.09 0.00 0.43 0.00 0.00 52.55 53.20 1h47 s ASP 95 Cb -0.04 0.02 -0.03 0.00 -0.30 0.00 0.00 42.92 42.57 1h47 s ASP 95 CO -0.01 -0.13 -0.26 -0.69 -0.17 0.00 0.00 175.17 173.90 1h47 s VAL 96 N 1.09 2.21 -0.23 1.11 1.01 -0.41 -1.02 120.40 124.16 1h47 s VAL 96 Ca -0.09 -1.43 -0.03 0.00 0.00 0.00 0.00 61.98 60.44 1h47 s VAL 96 Cb -0.12 -1.88 0.07 0.00 0.00 0.00 0.00 36.38 34.45 1h47 s VAL 96 CO -0.04 0.33 0.07 -0.89 0.00 0.00 0.00 175.10 174.56 1h47 s THR 97 N -0.85 0.45 0.11 3.92 2.01 0.14 -1.66 115.64 119.76 1h47 s THR 97 Ca 0.12 -0.72 -0.30 0.00 0.31 0.00 0.00 61.69 61.10 1h47 s THR 97 Cb -0.10 -1.11 -0.06 0.00 0.01 0.00 0.00 72.50 71.24 1h47 s THR 97 CO 0.03 -0.39 1.07 -0.63 -0.69 0.00 0.00 174.62 174.01 1h47 s ILE 98 N 1.87 4.23 -0.30 1.82 -1.09 0.21 -0.82 121.20 127.12 1h47 s ILE 98 Ca 0.03 1.77 0.03 0.00 -2.23 0.00 0.00 60.65 60.25 1h47 s ILE 98 Cb -0.17 -4.13 0.08 0.00 -1.58 0.00 0.00 42.46 36.66 1h47 s ILE 98 CO -0.16 0.23 -0.02 -0.63 -1.23 0.00 0.00 174.94 173.14 1h47 s ILE 99 N 0.31 2.08 -0.23 2.92 1.01 -0.04 -0.82 121.20 126.43 1h47 s ILE 99 Ca 0.51 -1.91 -0.13 0.00 0.00 0.00 0.00 60.65 59.12 1h47 s ILE 99 Cb -0.26 -2.38 0.07 0.00 0.01 0.00 0.00 42.46 39.89 1h47 s ILE 99 CO 0.31 -0.33 0.56 0.00 0.00 0.00 0.00 174.94 175.47 1h47 s ALA 100 N 1.07 -1.48 0.19 9.38 0.00 -0.41 -1.04 121.76 129.47 1h47 s ALA 100 Ca 0.02 1.98 -0.04 0.00 0.00 0.00 0.00 51.96 53.92 1h47 s ALA 100 Cb -0.19 -1.18 0.10 0.00 0.00 0.00 0.00 23.12 21.84 1h47 s ALA 100 CO -0.08 -0.32 1.50 0.37 0.00 0.00 0.00 175.76 177.23 1h47 h GLN 101 N 6.98 0.61 -2.57 0.00 5.75 -1.82 -3.35 115.11 120.71 1h47 h GLN 101 Ca -0.33 -0.37 -0.02 0.00 -0.15 0.00 0.00 58.65 57.78 1h47 h GLN 101 Cb 1.21 0.04 -0.15 0.00 1.07 0.00 0.00 27.48 29.64 1h47 h GLN 101 CO 0.22 0.98 0.24 0.00 -2.65 0.00 0.00 178.83 177.62 1h47 s ALA 102 N -4.06 -1.68 0.95 3.38 0.00 -1.26 -4.80 121.76 114.28 1h47 s ALA 102 Ca -0.08 0.84 -0.14 0.00 0.00 0.00 0.00 51.96 52.57 1h47 s ALA 102 Cb 0.11 0.51 0.17 0.00 0.00 0.00 0.00 23.12 23.91 1h47 s ALA 102 CO 0.85 -0.62 1.20 -1.25 0.00 0.00 0.00 175.76 175.94 1h47 s PRO 103 N -2.79 0.82 0.26 0.00 0.04 -1.26 -4.98 135.00 127.10 1h47 s PRO 103 Ca -0.03 -0.02 -0.30 0.00 0.04 0.00 0.00 61.00 60.70 1h47 s PRO 103 Cb -0.01 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 32.61 1h47 s PRO 103 CO -0.05 -2.35 1.34 0.21 0.04 0.00 0.00 177.00 176.19 1h47 s LYS 104 N -5.55 4.35 -0.05 4.56 2.47 -1.26 -4.94 119.74 119.32 1h47 s LYS 104 Ca 0.68 2.18 0.12 0.00 -1.56 0.00 0.00 55.97 57.39 1h47 s LYS 104 Cb -0.10 -3.12 -0.18 0.00 -1.46 0.00 0.00 37.83 32.97 1h47 s LYS 104 CO 0.53 -0.27 0.20 -1.33 0.16 0.00 0.00 175.35 174.65 1h47 n MET 105 N 1.84 0.90 -0.22 4.03 2.81 -1.26 -4.80 117.12 120.42 1h47 n MET 105 Ca 0.04 -0.08 0.02 0.00 -1.81 0.00 0.00 57.70 55.87 1h47 n MET 105 Cb 0.42 -1.30 0.13 0.00 -0.71 0.00 0.00 33.22 31.76 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 0.00 0.14 -0.76 4.03 5.85 -1.98 0.30 115.31 122.89 1h47 h LEU 106 Ca -0.10 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1h47 h LEU 106 Cb 0.93 0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1h47 h LEU 106 CO 0.01 0.07 0.00 1.55 -0.34 0.00 0.00 178.44 179.72 1h47 h PRO 107 N 0.35 0.00 0.00 5.25 0.13 -2.03 -3.03 132.00 132.67 1h47 h PRO 107 Ca 0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.48 1h47 h PRO 107 Cb 0.50 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.63 1h47 h PRO 107 CO -0.38 0.00 -0.71 0.72 -0.23 0.00 0.00 178.00 177.40 1h47 n HIS 108 N -2.49 0.22 -0.13 1.56 8.25 0.07 -4.42 115.22 118.27 1h47 n HIS 108 Ca 0.02 0.06 -0.11 0.00 -0.26 0.00 0.00 57.72 57.44 1h47 n HIS 108 Cb 0.29 -0.39 -0.02 0.00 1.12 0.00 0.00 29.99 30.99 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 1.26 -0.92 1.59 1.08 -1.37 -2.90 117.51 116.26 1h47 h ILE 109 Ca 0.00 -1.02 0.19 0.00 -0.39 0.00 0.00 64.86 63.63 1h47 h ILE 109 Cb 0.63 1.16 -0.11 0.00 -3.07 0.00 0.00 36.82 35.43 1h47 h ILE 109 CO 0.00 0.34 0.49 -0.65 -0.69 0.00 0.00 178.15 177.64 1h47 h PRO 110 N 0.51 0.58 -0.40 2.37 0.11 -1.78 -0.76 132.00 132.64 1h47 h PRO 110 Ca 0.11 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.06 1h47 h PRO 110 Cb 0.49 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1h47 h PRO 110 CO 0.02 0.38 -0.21 1.96 -0.21 0.00 0.00 178.00 179.94 1h47 h GLN 111 N 0.60 0.84 -0.48 1.05 4.20 -1.83 -2.34 115.11 117.16 1h47 h GLN 111 Ca 0.54 -0.38 0.09 0.00 0.06 0.00 0.00 58.65 58.95 1h47 h GLN 111 Cb 0.88 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.56 1h47 h GLN 111 CO -0.42 1.02 0.04 0.52 -0.67 0.00 0.00 178.83 179.31 1h47 h MET 112 N 0.65 0.15 -0.64 1.46 2.86 -1.08 0.12 114.93 118.45 1h47 h MET 112 Ca 0.09 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 1h47 h MET 112 Cb 0.78 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.38 1h47 h MET 112 CO 0.06 0.10 0.12 0.00 1.06 0.00 0.00 176.91 178.25 1h47 h ARG 113 N 0.16 1.06 -0.49 1.72 3.08 -1.00 -0.65 114.38 118.26 1h47 h ARG 113 Ca 0.24 -0.28 0.04 0.00 0.07 0.00 0.00 59.98 60.05 1h47 h ARG 113 Cb 0.35 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 1h47 h ARG 113 CO -0.37 0.97 0.25 0.28 -1.07 0.00 0.00 179.97 180.04 1h47 h VAL 114 N 0.97 0.98 -0.36 2.04 2.07 -1.03 -1.10 116.25 119.82 1h47 h VAL 114 Ca 0.20 -0.17 -0.12 0.00 0.82 0.00 0.00 66.70 67.43 1h47 h VAL 114 Cb 0.42 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1h47 h VAL 114 CO 0.01 0.09 -0.25 -0.26 0.02 0.00 0.00 177.57 177.18 1h47 h PHE 115 N 0.50 0.83 -0.23 1.57 0.04 -0.60 -1.45 116.94 117.60 1h47 h PHE 115 Ca 0.21 -0.20 -0.10 0.00 2.80 0.00 0.00 57.97 60.68 1h47 h PHE 115 Cb 0.10 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 38.05 1h47 h PHE 115 CO -0.10 0.91 -0.25 0.82 -0.60 0.00 0.00 178.31 179.09 1h47 h ILE 116 N 0.63 1.32 -0.84 -0.55 2.04 -1.03 -1.37 117.51 117.72 1h47 h ILE 116 Ca 0.08 -1.42 -0.00 0.00 1.00 0.00 0.00 64.86 64.52 1h47 h ILE 116 Cb 0.76 1.71 -0.04 0.00 -0.74 0.00 0.00 36.82 38.50 1h47 h ILE 116 CO 0.06 0.44 0.51 0.00 0.00 0.00 0.00 178.15 179.16 1h47 h ALA 117 N 0.66 1.32 -0.36 1.87 0.00 -1.08 -0.48 119.26 121.19 1h47 h ALA 117 Ca 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1h47 h ALA 117 Cb 0.81 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1h47 h ALA 117 CO 0.06 0.59 0.14 0.93 0.00 0.00 0.00 179.25 180.97 1h47 h GLU 118 N 1.15 0.54 -0.06 0.00 5.08 -1.13 -0.12 114.58 120.05 1h47 h GLU 118 Ca 0.30 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.49 1h47 h GLU 118 Cb -0.06 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1h47 h GLU 118 CO -0.06 0.53 -0.29 -0.44 -1.00 0.00 0.00 179.01 177.75 1h47 h ASP 119 N 0.44 0.10 -0.02 1.42 3.32 -0.63 -2.72 116.42 118.33 1h47 h ASP 119 Ca 0.12 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1h47 h ASP 119 Cb 0.19 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1h47 h ASP 119 CO -0.01 0.40 -0.16 0.18 -1.72 0.00 0.00 179.24 177.93 1h47 n LEU 120 N -4.16 2.64 -3.20 1.55 4.77 -0.25 -4.73 117.00 113.63 1h47 n LEU 120 Ca -0.02 -0.91 -0.21 0.00 -0.03 0.00 0.00 56.01 54.85 1h47 n LEU 120 Cb 0.36 -0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.52 1h47 n LEU 120 CO 0.39 0.45 0.21 0.61 -1.33 0.00 0.00 177.39 177.72 1h47 n GLY 121 N 1.37 -0.35 3.52 -0.72 0.00 -0.16 -4.94 105.19 103.91 1h47 n GLY 121 Ca 0.12 0.13 -0.25 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.18 3.19 0.50 0.00 3.76 -1.26 -4.60 115.29 113.71 1h47 s HIS 123 Ca 0.28 1.53 0.18 0.00 -0.15 0.00 0.00 55.06 56.91 1h47 s HIS 123 Cb 0.06 -2.93 1.25 0.00 1.11 0.00 0.00 32.58 32.07 1h47 s HIS 123 CO 0.14 -0.62 2.06 1.98 -0.85 0.00 0.00 174.74 177.45 1h47 h MET 124 N 1.16 0.10 0.00 1.40 4.05 -1.93 -1.95 114.93 117.75 1h47 h MET 124 Ca -0.48 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.93 1h47 h MET 124 Cb 1.20 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.98 1h47 h MET 124 CO 0.60 0.06 0.00 -3.47 0.23 0.00 0.00 176.91 174.33 1h47 n ASP 125 N -4.47 0.00 -0.77 1.39 -0.08 -1.26 -1.39 116.55 109.97 1h47 n ASP 125 Ca 0.04 0.27 0.12 0.00 -1.51 0.00 0.00 54.79 53.71 1h47 n ASP 125 Cb 0.32 -0.39 0.30 0.00 2.34 0.00 0.00 41.12 43.69 1h47 n ASP 125 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1h47 n ASP 126 N -1.39 2.39 -3.97 1.67 8.00 -0.73 -4.88 116.55 117.64 1h47 n ASP 126 Ca 0.06 -1.79 -0.28 0.00 0.71 0.00 0.00 54.79 53.48 1h47 n ASP 126 Cb 0.16 -0.05 -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 -1.89 1.30 -0.05 2.53 1.01 -0.49 -1.43 120.40 121.38 1h47 s VAL 127 Ca 0.34 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.91 1h47 s VAL 127 Cb 0.20 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 1h47 s VAL 127 CO 0.31 0.41 -0.25 0.21 0.00 0.00 0.00 175.10 175.78 1h47 s ASN 128 N 1.49 3.03 -0.03 3.32 2.47 -0.73 -4.97 114.94 119.52 1h47 s ASN 128 Ca 0.03 -0.50 0.01 0.00 0.42 0.00 0.00 52.86 52.82 1h47 s ASN 128 Cb -0.13 -0.73 0.01 0.00 -1.45 0.00 0.00 41.25 38.96 1h47 s ASN 128 CO -0.08 0.26 -0.06 -0.69 -3.72 0.00 0.00 177.10 172.81 1h47 s VAL 129 N -0.25 0.56 0.16 -5.21 1.01 -1.26 -1.29 120.40 114.12 1h47 s VAL 129 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1h47 s VAL 129 Cb -0.13 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1h47 s VAL 129 CO 0.03 0.21 0.04 -1.59 0.00 0.00 0.00 175.10 173.78 1h47 s LYS 130 N 0.58 1.04 0.04 2.72 -2.85 -0.67 -4.98 119.74 115.62 1h47 s LYS 130 Ca -0.08 -1.50 0.03 0.00 -1.00 0.00 0.00 55.97 53.42 1h47 s LYS 130 Cb -0.11 -0.00 -0.02 0.00 -2.06 0.00 0.00 37.83 35.63 1h47 s LYS 130 CO 0.00 -0.21 -0.08 0.00 0.10 0.00 0.00 175.35 175.16 1h47 s ALA 131 N -3.87 0.64 0.10 0.59 0.00 -1.26 -0.62 121.76 117.34 1h47 s ALA 131 Ca 0.25 -0.76 -0.09 0.00 0.00 0.00 0.00 51.96 51.36 1h47 s ALA 131 Cb 0.07 0.02 -0.00 0.00 0.00 0.00 0.00 23.12 23.20 1h47 s ALA 131 CO 0.04 0.01 0.22 -0.08 0.00 0.00 0.00 175.76 175.94 1h47 s THR 132 N -1.28 0.13 0.51 0.00 -1.32 -0.00 -4.92 115.64 108.75 1h47 s THR 132 Ca -0.08 -1.18 0.08 0.00 -1.21 0.00 0.00 61.69 59.29 1h47 s THR 132 Cb -0.09 -1.42 0.04 0.00 -1.51 0.00 0.00 72.50 69.52 1h47 s THR 132 CO 0.01 -0.57 0.58 0.42 -2.21 0.00 0.00 174.62 172.84 1h47 s THR 133 N -3.88 2.26 -0.24 5.08 -4.23 -1.26 -1.28 115.64 112.09 1h47 s THR 133 Ca 0.07 -1.19 0.13 0.00 -1.18 0.00 0.00 61.69 59.52 1h47 s THR 133 Cb 0.04 -2.44 0.55 0.00 1.34 0.00 0.00 72.50 71.99 1h47 s THR 133 CO -0.09 0.00 1.50 0.35 -0.54 0.00 0.00 174.62 175.84 1h47 n THR 134 N -1.93 2.49 -3.96 3.99 -2.24 -1.26 -4.90 114.28 106.47 1h47 n THR 134 Ca 0.08 -2.16 -0.29 0.00 -2.27 0.00 0.00 64.05 59.40 1h47 n THR 134 Cb 0.62 -0.30 0.01 0.00 -2.10 0.00 0.00 70.33 68.56 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 -0.72 -4.51 -0.97 -0.78 -0.58 -1.26 -0.76 120.64 111.05 1h47 n GLU 135 Ca 0.29 0.52 0.00 0.00 -0.42 0.00 0.00 57.16 57.55 1h47 n GLU 135 Cb 1.03 -5.19 0.00 0.00 -0.57 0.00 0.00 31.44 26.71 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 -4.51 -0.28 -3.74 3.49 4.76 -1.26 -5.01 118.16 111.61 1h47 n LYS 136 Ca -0.06 0.07 -0.31 0.00 -2.87 0.00 0.00 58.31 55.14 1h47 n LYS 136 Cb 0.57 -3.25 -0.04 0.00 -1.84 0.00 0.00 35.03 30.46 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 -4.11 118.68 120.00 1h47 s LEU 137 Ca 0.00 0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.59 1h47 s LEU 137 Cb 0.00 -3.21 0.00 0.00 0.03 0.00 0.00 46.19 43.01 1h47 s LEU 137 CO 0.00 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.26 1h47 n GLY 138 N 0.07 -1.82 0.22 -3.19 0.00 -1.26 -1.68 105.19 97.52 1h47 n GLY 138 Ca -0.03 -1.32 -0.06 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.06 0.57 -0.33 1.61 -0.00 -1.96 -1.43 116.94 115.35 1h47 h PHE 139 Ca 0.00 -0.17 -0.07 0.00 -0.00 0.00 0.00 57.97 57.74 1h47 h PHE 139 Cb 0.06 -0.12 -0.01 0.00 -0.00 0.00 0.00 35.95 35.88 1h47 h PHE 139 CO 0.00 0.82 -0.05 1.79 -0.00 0.00 0.00 178.31 180.87 1h47 h THR 140 N 0.39 1.27 -0.26 0.88 1.35 -1.76 -1.10 112.91 113.68 1h47 h THR 140 Ca 0.03 -1.07 0.01 0.00 -0.55 0.00 0.00 66.41 64.83 1h47 h THR 140 Cb 0.90 1.31 -0.01 0.00 -1.73 0.00 0.00 68.15 68.62 1h47 h THR 140 CO 0.08 0.35 0.17 1.23 -0.25 0.00 0.00 175.52 177.10 1h47 h GLY 141 N 0.40 0.32 0.46 5.82 0.00 -0.89 -1.61 103.07 107.58 1h47 h GLY 141 Ca 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1h47 h GLY 141 CO 0.03 0.11 -0.08 0.54 0.00 0.00 0.00 176.54 177.14 1h47 n ARG 142 N -4.50 1.02 -1.27 4.80 1.74 -0.58 -4.36 116.66 113.52 1h47 n ARG 142 Ca 0.01 -0.43 0.00 0.00 -0.77 0.00 0.00 57.85 56.67 1h47 n ARG 142 Cb 0.11 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 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 1.21 0.56 0.12 -0.13 0.00 -0.61 -4.96 105.19 101.39 1h47 n GLY 143 Ca 0.17 -0.83 0.11 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.39 -3.46 114.58 116.42 1h47 h GLU 144 Ca 0.00 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.50 1h47 h GLU 144 Cb 0.43 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1h47 h GLU 144 CO 0.00 0.01 0.36 0.41 -1.00 0.00 0.00 179.01 178.79 1h47 n GLY 145 N 1.18 0.36 3.26 -3.84 0.00 -1.25 -1.07 105.19 103.83 1h47 n GLY 145 Ca 0.00 -0.89 -0.24 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.04 1.64 0.37 -0.61 1.01 -0.61 -4.38 121.20 116.57 1h47 s ILE 146 Ca 0.12 -1.33 0.05 0.00 0.00 0.00 0.00 60.65 59.49 1h47 s ILE 146 Cb -0.00 -1.46 -0.07 0.00 0.01 0.00 0.00 42.46 40.94 1h47 s ILE 146 CO -0.01 0.07 0.04 0.00 0.00 0.00 0.00 174.94 175.04 1h47 s ALA 147 N -0.96 2.81 -0.27 9.38 0.00 -0.21 -1.83 121.76 130.68 1h47 s ALA 147 Ca 0.06 -2.08 -0.23 0.00 0.00 0.00 0.00 51.96 49.71 1h47 s ALA 147 Cb -0.09 0.42 0.08 0.00 0.00 0.00 0.00 23.12 23.52 1h47 s ALA 147 CO 0.03 -0.21 0.73 0.00 0.00 0.00 0.00 175.76 176.30 1h47 s GLU 149 N 0.71 1.99 0.02 0.00 2.02 -0.00 -1.67 118.70 121.77 1h47 s GLU 149 Ca -0.03 -1.03 -0.06 0.00 0.02 0.00 0.00 54.97 53.88 1h47 s GLU 149 Cb -0.05 -2.15 -0.01 0.00 0.10 0.00 0.00 34.13 32.03 1h47 s GLU 149 CO -0.05 0.53 0.10 0.00 0.02 0.00 0.00 175.26 175.86 1h47 s ALA 150 N -0.94 -0.15 0.08 5.21 0.00 -0.24 0.28 121.76 126.00 1h47 s ALA 150 Ca 0.15 -0.39 0.04 0.00 0.00 0.00 0.00 51.96 51.76 1h47 s ALA 150 Cb -0.10 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 1h47 s ALA 150 CO 0.05 -0.26 -0.11 0.14 0.00 0.00 0.00 175.76 175.59 1h47 s VAL 151 N -2.00 0.90 0.04 0.00 -7.23 -0.19 -1.16 120.40 110.76 1h47 s VAL 151 Ca -0.10 -1.43 -0.03 0.00 -1.81 0.00 0.00 61.98 58.61 1h47 s VAL 151 Cb -0.05 -1.12 -0.02 0.00 0.56 0.00 0.00 36.38 35.76 1h47 s VAL 151 CO -0.02 -0.43 0.04 0.00 -0.31 0.00 0.00 175.10 174.39 1h47 s ALA 152 N -1.88 0.09 -0.12 1.32 0.00 -0.45 -1.77 121.76 118.96 1h47 s ALA 152 Ca 0.00 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.27 1h47 s ALA 152 Cb -0.06 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.31 1h47 s ALA 152 CO 0.01 -0.30 -0.12 -1.17 0.00 0.00 0.00 175.76 174.18 1h47 s LEU 153 N -2.15 1.53 0.22 0.00 2.96 -0.66 -1.08 118.68 119.50 1h47 s LEU 153 Ca -0.05 -0.39 0.06 0.00 -0.22 0.00 0.00 54.13 53.54 1h47 s LEU 153 Cb -0.01 -1.00 -0.04 0.00 0.50 0.00 0.00 46.19 45.64 1h47 s LEU 153 CO -0.05 -0.05 0.18 -0.76 -1.32 0.00 0.00 176.35 174.35 1h47 s LEU 154 N 1.32 3.82 -0.12 -0.68 1.43 -0.33 -0.81 118.68 123.31 1h47 s LEU 154 Ca -0.01 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1h47 s LEU 154 Cb -0.14 -2.38 -0.03 0.00 0.03 0.00 0.00 46.19 43.68 1h47 s LEU 154 CO -0.06 -0.00 -0.07 -0.63 0.23 0.00 0.00 176.35 175.82 1h47 s ILE 155 N -2.00 3.62 -0.74 -0.59 1.01 -0.16 -0.96 121.20 121.38 1h47 s ILE 155 Ca 0.32 -0.47 0.06 0.00 0.00 0.00 0.00 60.65 60.56 1h47 s ILE 155 Cb -0.09 -2.54 0.05 0.00 0.01 0.00 0.00 42.46 39.89 1h47 s ILE 155 CO 0.24 0.53 0.69 1.17 0.00 0.00 0.00 174.94 177.58