#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 1.88 0.01 0.00 1.00 -1.26 -0.51 119.30 120.42 1h47 s MET 1 Ca 0.00 -1.23 0.02 0.00 0.00 0.00 0.00 55.69 54.48 1h47 s MET 1 Cb 0.00 -2.12 -0.01 0.00 0.00 0.00 0.00 34.83 32.70 1h47 s MET 1 CO 0.00 0.46 -0.06 1.03 0.00 0.00 0.00 175.02 176.45 1h47 s ARG 2 N -2.44 0.46 0.09 2.03 1.81 -0.67 -4.96 118.95 115.26 1h47 s ARG 2 Ca 0.21 -0.38 0.05 0.00 -1.72 0.00 0.00 55.73 53.90 1h47 s ARG 2 Cb -0.10 -0.37 -0.04 0.00 -0.45 0.00 0.00 34.95 34.00 1h47 s ARG 2 CO 0.12 0.09 -0.04 -1.50 -0.68 0.00 0.00 175.30 173.29 1h47 s ILE 3 N -0.54 3.76 0.11 1.52 2.07 -1.26 -1.22 121.20 125.62 1h47 s ILE 3 Ca -0.02 -1.07 -0.08 0.00 -1.41 0.00 0.00 60.65 58.07 1h47 s ILE 3 Cb -0.05 -2.77 -0.01 0.00 0.13 0.00 0.00 42.46 39.77 1h47 s ILE 3 CO -0.00 0.14 0.20 -0.83 -1.91 0.00 0.00 174.94 172.54 1h47 s GLY 4 N -2.20 0.21 -0.07 1.50 0.00 -0.70 -3.69 107.32 102.38 1h47 s GLY 4 Ca 0.23 -0.72 -0.05 0.00 0.00 0.00 0.00 44.72 44.19 1h47 s GLY 4 CO 0.16 -0.84 0.16 -1.58 0.00 0.00 0.00 173.10 171.00 1h47 s HIS 5 N -3.89 -0.19 0.11 1.90 2.46 -1.25 -1.84 115.29 112.59 1h47 s HIS 5 Ca 0.08 0.48 0.03 0.00 0.47 0.00 0.00 55.06 56.13 1h47 s HIS 5 Cb 0.05 0.01 -0.04 0.00 -0.13 0.00 0.00 32.58 32.47 1h47 s HIS 5 CO -0.08 -0.13 -0.09 0.20 -2.47 0.00 0.00 174.74 172.17 1h47 s GLY 6 N 0.57 0.87 -0.14 1.59 0.00 -0.41 -3.78 107.32 106.01 1h47 s GLY 6 Ca -0.04 -1.29 -0.11 0.00 0.00 0.00 0.00 44.72 43.28 1h47 s GLY 6 CO -0.03 -1.38 0.35 -0.12 0.00 0.00 0.00 173.10 171.92 1h47 s PHE 7 N -2.94 -0.42 0.04 1.90 5.36 -1.26 -1.42 117.98 119.24 1h47 s PHE 7 Ca 0.09 0.99 -0.08 0.00 -0.96 0.00 0.00 56.93 56.96 1h47 s PHE 7 Cb 0.00 0.15 -0.00 0.00 -0.34 0.00 0.00 43.02 42.83 1h47 s PHE 7 CO -0.01 -0.22 0.17 0.34 -1.46 0.00 0.00 175.22 174.04 1h47 s ASP 8 N 0.57 0.07 -0.07 6.13 2.15 -0.41 -4.76 116.67 120.36 1h47 s ASP 8 Ca -0.03 -0.42 -0.06 0.00 0.43 0.00 0.00 52.55 52.47 1h47 s ASP 8 Cb -0.05 0.28 0.02 0.00 -0.30 0.00 0.00 42.92 42.87 1h47 s ASP 8 CO -0.03 -0.55 0.18 -0.69 -0.17 0.00 0.00 175.17 173.90 1h47 s VAL 9 N -2.63 -0.00 0.03 1.11 1.01 -1.26 -1.05 120.40 117.60 1h47 s VAL 9 Ca -0.05 0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1h47 s VAL 9 Cb -0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 1h47 s VAL 9 CO -0.04 0.01 -0.05 -1.00 0.00 0.00 0.00 175.10 174.01 1h47 s HIS 10 N 0.18 0.41 0.10 5.22 3.76 -0.83 -5.01 115.29 119.12 1h47 s HIS 10 Ca -0.01 -0.49 -0.19 0.00 -0.15 0.00 0.00 55.06 54.22 1h47 s HIS 10 Cb -0.02 -0.27 -0.07 0.00 1.11 0.00 0.00 32.58 33.33 1h47 s HIS 10 CO -0.00 -0.14 0.59 0.00 -0.85 0.00 0.00 174.74 174.34 1h47 s ALA 11 N -1.34 3.57 0.48 -1.40 0.00 -1.26 -1.62 121.76 120.19 1h47 s ALA 11 Ca -0.13 0.06 -0.23 0.00 0.00 0.00 0.00 51.96 51.66 1h47 s ALA 11 Cb -0.09 -2.66 -0.07 0.00 0.00 0.00 0.00 23.12 20.30 1h47 s ALA 11 CO -0.00 0.39 1.33 -0.06 0.00 0.00 0.00 175.76 177.41 1h47 s PHE 12 N -1.17 2.53 -0.22 0.00 0.08 -0.53 0.01 117.98 118.68 1h47 s PHE 12 Ca 0.31 1.39 -0.29 0.00 0.12 0.00 0.00 56.93 58.47 1h47 s PHE 12 Cb -0.19 -3.72 0.14 0.00 -0.57 0.00 0.00 43.02 38.68 1h47 s PHE 12 CO 0.20 -2.50 1.11 0.20 -0.10 0.00 0.00 175.22 174.13 1h47 s GLY 13 N -0.90 -0.13 0.00 4.36 0.00 -0.08 -4.65 107.32 105.92 1h47 s GLY 13 Ca 0.65 2.43 0.00 0.00 0.00 0.00 0.00 44.72 47.80 1h47 s GLY 13 CO 0.47 1.28 0.00 0.61 0.00 0.00 0.00 173.10 175.46 1h47 n GLY 14 N 1.06 0.18 3.75 0.20 0.00 -1.26 -2.94 105.19 106.18 1h47 n GLY 14 Ca -0.09 -0.91 -0.22 0.00 0.00 0.00 0.00 46.02 44.80 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 2.53 1.05 1.61 -6.30 -1.26 -3.03 118.70 113.30 1h47 s GLU 15 Ca 0.00 -1.37 -0.16 0.00 -2.50 0.00 0.00 54.97 50.94 1h47 s GLU 15 Cb 0.00 -2.31 0.22 0.00 0.00 0.00 0.00 34.13 32.04 1h47 s GLU 15 CO 0.00 0.23 1.16 0.20 0.02 0.00 0.00 175.26 176.87 1h47 s GLY 16 N -3.83 1.62 0.82 -1.50 0.00 -1.21 -2.37 107.32 100.86 1h47 s GLY 16 Ca 0.36 -0.82 -0.09 0.00 0.00 0.00 0.00 44.72 44.16 1h47 s GLY 16 CO 0.23 -0.08 1.14 2.56 0.00 0.00 0.00 173.10 176.95 1h47 s PRO 17 N -5.43 1.42 0.19 2.90 0.04 -1.26 -4.82 135.00 128.04 1h47 s PRO 17 Ca 0.69 -0.53 0.05 0.00 0.04 0.00 0.00 61.00 61.24 1h47 s PRO 17 Cb -0.11 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 1h47 s PRO 17 CO 0.55 -1.79 0.24 0.96 0.04 0.00 0.00 177.00 177.00 1h47 s ILE 18 N -3.49 4.90 -0.20 0.56 -4.36 -0.59 -4.57 121.20 113.45 1h47 s ILE 18 Ca 0.67 -1.00 -0.02 0.00 -0.26 0.00 0.00 60.65 60.04 1h47 s ILE 18 Cb -0.06 -3.57 -0.00 0.00 1.25 0.00 0.00 42.46 40.07 1h47 s ILE 18 CO 0.48 -0.20 -0.09 -0.63 0.24 0.00 0.00 174.94 174.75 1h47 s ILE 19 N -1.87 3.07 -0.06 8.37 1.01 -1.26 -0.65 121.20 129.80 1h47 s ILE 19 Ca 0.33 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.38 1h47 s ILE 19 Cb -0.10 -2.37 0.02 0.00 0.01 0.00 0.00 42.46 40.03 1h47 s ILE 19 CO 0.26 0.46 -0.05 -0.63 0.00 0.00 0.00 174.94 174.98 1h47 s ILE 20 N 1.28 0.68 -1.54 2.92 -1.09 -0.74 -3.90 121.20 118.81 1h47 s ILE 20 Ca 0.03 -0.16 -0.05 0.00 -2.23 0.00 0.00 60.65 58.24 1h47 s ILE 20 Cb -0.14 -0.71 0.01 0.00 -1.58 0.00 0.00 42.46 40.04 1h47 s ILE 20 CO -0.04 0.27 0.62 0.61 -1.23 0.00 0.00 174.94 175.17 1h47 n GLY 21 N 4.36 -0.52 3.29 6.18 0.00 -1.26 -1.42 105.19 115.81 1h47 n GLY 21 Ca -0.19 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.51 0.99 3.45 -0.02 0.00 -1.26 -4.29 105.19 102.55 1h47 n GLY 22 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.13 3.90 -0.12 1.61 1.01 -0.51 -5.05 120.40 118.12 1h47 s VAL 23 Ca 0.00 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.35 1h47 s VAL 23 Cb 0.00 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1h47 s VAL 23 CO 0.00 0.45 1.35 -0.13 0.00 0.00 0.00 175.10 176.77 1h47 s ARG 24 N 0.83 4.24 -0.17 2.72 0.52 -1.26 -1.79 118.95 124.04 1h47 s ARG 24 Ca 0.00 1.80 0.01 0.00 -0.52 0.00 0.00 55.73 57.02 1h47 s ARG 24 Cb -0.14 -3.77 0.01 0.00 0.52 0.00 0.00 34.95 31.57 1h47 s ARG 24 CO 0.02 -0.70 -0.18 0.42 0.02 0.00 0.00 175.30 174.88 1h47 s ILE 25 N 3.37 2.24 0.25 1.52 1.01 0.17 -4.97 121.20 124.79 1h47 s ILE 25 Ca 0.59 -0.89 -0.31 0.00 0.00 0.00 0.00 60.65 60.05 1h47 s ILE 25 Cb -0.25 -1.94 -0.11 0.00 0.01 0.00 0.00 42.46 40.17 1h47 s ILE 25 CO 0.20 0.53 1.56 -2.84 0.00 0.00 0.00 174.94 174.39 1h47 s PRO 26 N 1.16 4.18 0.22 2.79 0.02 -1.26 -1.54 135.00 140.56 1h47 s PRO 26 Ca 0.02 2.46 -0.19 0.00 0.02 0.00 0.00 61.00 63.31 1h47 s PRO 26 Cb -0.14 -3.08 0.03 0.00 0.02 0.00 0.00 34.50 31.33 1h47 s PRO 26 CO -0.08 -0.58 0.58 -0.47 -0.33 0.00 0.00 177.00 176.11 1h47 s TYR 27 N 0.36 -0.14 0.04 6.54 5.04 -1.26 -4.91 117.35 123.02 1h47 s TYR 27 Ca 0.65 -0.22 0.18 0.00 -2.44 0.00 0.00 57.07 55.24 1h47 s TYR 27 Cb -0.46 0.47 0.47 0.00 0.35 0.00 0.00 41.96 42.80 1h47 s TYR 27 CO 0.41 -1.00 1.63 0.93 -1.34 0.00 0.00 175.55 176.19 1h47 h GLU 28 N 2.13 0.00 -6.38 4.97 4.39 -1.96 -3.22 114.58 114.50 1h47 h GLU 28 Ca -0.27 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 58.81 1h47 h GLU 28 Cb 1.26 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.76 1h47 h GLU 28 CO 0.34 0.41 -0.76 0.15 -1.16 0.00 0.00 179.01 177.98 1h47 s LYS 29 N -3.35 1.76 0.23 2.33 1.02 -1.26 -3.96 119.74 116.49 1h47 s LYS 29 Ca 0.02 -1.57 0.04 0.00 0.02 0.00 0.00 55.97 54.47 1h47 s LYS 29 Cb 0.09 -1.90 0.04 0.00 -0.52 0.00 0.00 37.83 35.54 1h47 s LYS 29 CO 0.70 0.37 0.30 0.41 -0.92 0.00 0.00 175.35 176.22 1h47 n GLY 30 N -0.26 2.02 3.70 -3.33 0.00 -1.00 -3.30 105.19 103.02 1h47 n GLY 30 Ca -0.09 -2.17 -0.31 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 3.54 -0.17 0.99 1.43 -1.25 -0.90 118.68 122.33 1h47 s LEU 31 Ca 0.23 -0.07 -0.16 0.00 -1.03 0.00 0.00 54.13 53.11 1h47 s LEU 31 Cb -0.02 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 1h47 s LEU 31 CO 0.15 0.23 0.38 -0.76 0.23 0.00 0.00 176.35 176.58 1h47 s LEU 32 N -1.94 4.22 -0.24 1.79 1.43 0.10 -4.65 118.68 119.39 1h47 s LEU 32 Ca 0.23 0.59 -0.29 0.00 -1.03 0.00 0.00 54.13 53.63 1h47 s LEU 32 Cb -0.12 -2.51 0.16 0.00 0.03 0.00 0.00 46.19 43.75 1h47 s LEU 32 CO 0.15 0.00 1.20 0.00 0.23 0.00 0.00 176.35 177.93 1h47 s ALA 33 N 0.85 -2.04 0.33 4.21 0.00 -1.26 -4.22 121.76 119.63 1h47 s ALA 33 Ca 0.20 1.75 0.11 0.00 0.00 0.00 0.00 51.96 54.02 1h47 s ALA 33 Cb -0.14 -1.22 0.91 0.00 0.00 0.00 0.00 23.12 22.66 1h47 s ALA 33 CO 0.07 -0.25 1.74 0.45 0.00 0.00 0.00 175.76 177.77 1h47 h HIS 34 N 2.51 0.96 -2.57 0.00 -0.00 -2.02 -3.43 115.15 110.60 1h47 h HIS 34 Ca -0.15 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.25 1h47 h HIS 34 Cb 1.18 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 28.31 1h47 h HIS 34 CO 0.24 0.08 0.00 -1.13 -0.00 0.00 0.00 177.93 177.13 1h47 n SER 35 N -4.83 0.00 0.00 2.45 3.41 -1.26 -4.92 113.62 108.47 1h47 n SER 35 Ca 0.26 -0.37 0.12 0.00 -0.26 0.00 0.00 58.87 58.62 1h47 n SER 35 Cb 0.75 0.00 0.66 0.00 -0.26 0.00 0.00 64.21 65.36 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 -1.12 0.00 -0.49 4.04 5.75 -1.26 -4.89 116.55 118.57 1h47 n ASP 36 Ca 0.00 -0.36 -0.06 0.00 -0.01 0.00 0.00 54.79 54.35 1h47 n ASP 36 Cb 0.00 -0.16 -0.03 0.00 -1.03 0.00 0.00 41.12 39.90 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 0.65 0.88 3.56 6.12 0.00 -1.26 -4.51 105.19 110.63 1h47 n GLY 37 Ca 0.14 -0.74 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.91 5.25 0.35 1.61 -1.08 -1.25 -4.79 116.67 113.85 1h47 s ASP 38 Ca 0.00 -0.83 0.05 0.00 -0.52 0.00 0.00 52.55 51.26 1h47 s ASP 38 Cb 0.00 -2.56 0.72 0.00 -1.46 0.00 0.00 42.92 39.61 1h47 s ASP 38 CO 0.00 -2.66 1.95 -0.37 0.52 0.00 0.00 175.17 174.61 1h47 h VAL 39 N 7.13 1.02 0.15 1.11 -1.51 -1.92 -0.90 116.25 121.32 1h47 h VAL 39 Ca 0.12 -0.27 -0.01 0.00 -1.23 0.00 0.00 66.70 65.31 1h47 h VAL 39 Cb 1.00 0.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.32 1h47 h VAL 39 CO 1.23 0.14 -0.07 0.00 -1.23 0.00 0.00 177.57 177.64 1h47 h ALA 40 N 1.59 -0.20 -0.11 5.19 0.00 -1.89 -1.81 119.26 122.03 1h47 h ALA 40 Ca 0.33 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1h47 h ALA 40 Cb 0.27 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1h47 h ALA 40 CO -0.11 -0.46 -0.39 -0.07 0.00 0.00 0.00 179.25 178.22 1h47 h LEU 41 N -0.51 0.24 -0.16 0.00 3.38 -1.90 -1.28 115.31 115.07 1h47 h LEU 41 Ca -0.02 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1h47 h LEU 41 Cb 0.40 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1h47 h LEU 41 CO 0.03 0.61 0.05 0.45 0.09 0.00 0.00 178.44 179.68 1h47 h HIS 42 N 0.20 0.27 -0.70 1.13 3.86 -1.17 -0.05 115.15 118.68 1h47 h HIS 42 Ca 0.02 -0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 1h47 h HIS 42 Cb 0.78 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 29.14 1h47 h HIS 42 CO 0.01 0.37 0.17 0.00 0.86 0.00 0.00 177.93 179.35 1h47 h ALA 43 N 0.87 0.97 -0.46 2.45 0.00 -1.15 -1.03 119.26 120.90 1h47 h ALA 43 Ca 0.05 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1h47 h ALA 43 Cb 0.23 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1h47 h ALA 43 CO -0.00 0.66 -0.08 1.25 0.00 0.00 0.00 179.25 181.08 1h47 h LEU 44 N 1.06 0.87 -0.41 0.00 5.85 -1.12 -0.86 115.31 120.70 1h47 h LEU 44 Ca 0.22 -0.35 0.04 0.00 0.84 0.00 0.00 57.88 58.63 1h47 h LEU 44 Cb 0.37 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1h47 h LEU 44 CO 0.00 1.02 0.18 0.74 -0.34 0.00 0.00 178.44 180.04 1h47 h THR 45 N 0.72 0.93 -0.68 1.05 2.02 -0.77 -1.35 112.91 114.83 1h47 h THR 45 Ca 0.12 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1h47 h THR 45 Cb 0.62 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 1h47 h THR 45 CO 0.04 0.07 0.37 0.44 0.37 0.00 0.00 175.52 176.80 1h47 h ASP 46 N 0.37 0.83 -0.33 4.18 3.32 -0.92 -0.62 116.42 123.27 1h47 h ASP 46 Ca 0.18 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 1h47 h ASP 46 Cb 0.12 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1h47 h ASP 46 CO -0.15 0.68 -0.08 0.00 -1.72 0.00 0.00 179.24 177.97 1h47 h ALA 47 N 1.46 1.07 0.04 3.45 0.00 -0.67 -0.17 119.26 124.44 1h47 h ALA 47 Ca 0.24 -0.29 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 1h47 h ALA 47 Cb 0.03 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 17.66 1h47 h ALA 47 CO -0.04 0.57 -0.79 -0.07 0.00 0.00 0.00 179.25 178.92 1h47 h LEU 48 N 0.67 0.62 -1.16 0.00 3.38 -0.94 -1.85 115.31 116.04 1h47 h LEU 48 Ca 0.12 -0.80 0.02 0.00 0.09 0.00 0.00 57.88 57.32 1h47 h LEU 48 Cb 0.53 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1h47 h LEU 48 CO 0.03 1.35 0.57 -0.07 0.09 0.00 0.00 178.44 180.41 1h47 h LEU 49 N -0.03 0.96 -0.37 1.67 3.38 -1.12 -2.49 115.31 117.31 1h47 h LEU 49 Ca -0.11 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1h47 h LEU 49 Cb 1.51 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1h47 h LEU 49 CO 0.15 0.67 0.05 1.23 0.09 0.00 0.00 178.44 180.63 1h47 h GLY 50 N 1.12 0.67 1.69 0.83 0.00 -0.93 -0.14 103.07 106.31 1h47 h GLY 50 Ca 0.33 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1h47 h GLY 50 CO -0.09 0.42 0.14 0.00 0.00 0.00 0.00 176.54 177.01 1h47 h ALA 51 N 0.90 1.69 -0.22 3.60 0.00 -1.14 -1.97 119.26 122.12 1h47 h ALA 51 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1h47 h ALA 51 Cb 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1h47 h ALA 51 CO 0.01 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.51 1h47 n ALA 52 N -2.49 2.49 -4.21 0.00 0.00 -0.94 -4.64 120.51 110.73 1h47 n ALA 52 Ca 0.01 -0.50 -0.36 0.00 0.00 0.00 0.00 53.44 52.59 1h47 n ALA 52 Cb 0.11 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 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 0.27 -1.26 0.05 0.00 0.00 -0.74 -4.88 120.51 113.95 1h47 n ALA 53 Ca 0.13 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.68 1h47 n ALA 53 Cb 0.28 -3.55 0.23 0.00 0.00 0.00 0.00 19.45 16.40 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 -4.40 3.44 0.00 0.00 4.77 -0.12 -5.03 117.00 115.66 1h47 n LEU 54 Ca 0.07 -1.69 0.00 0.00 -0.03 0.00 0.00 56.01 54.37 1h47 n LEU 54 Cb 0.49 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1h47 n LEU 54 CO 0.85 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 178.32 1h47 n GLY 55 N 1.34 0.91 3.84 -0.72 0.00 -1.25 -4.84 105.19 104.48 1h47 n GLY 55 Ca 0.19 -0.97 -0.07 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 -0.15 0.25 1.61 1.47 -1.26 -4.19 116.67 110.40 1h47 s ASP 56 Ca 0.00 -0.81 -0.03 0.00 1.18 0.00 0.00 52.55 52.89 1h47 s ASP 56 Cb 0.00 0.76 0.48 0.00 -0.34 0.00 0.00 42.92 43.82 1h47 s ASP 56 CO 0.00 -1.45 1.76 0.16 0.68 0.00 0.00 175.17 176.32 1h47 h ILE 57 N 2.00 0.75 -0.14 2.11 3.07 -1.92 -2.30 117.51 121.07 1h47 h ILE 57 Ca -0.25 -0.20 -0.11 0.00 1.55 0.00 0.00 64.86 65.85 1h47 h ILE 57 Cb 1.25 0.10 -0.01 0.00 -0.27 0.00 0.00 36.82 37.89 1h47 h ILE 57 CO 0.30 0.11 -0.41 1.23 -1.05 0.00 0.00 178.15 178.33 1h47 h GLY 58 N 0.59 0.36 0.80 0.16 0.00 -1.98 0.32 103.07 103.32 1h47 h GLY 58 Ca 0.43 -0.34 0.03 0.00 0.00 0.00 0.00 47.33 47.44 1h47 h GLY 58 CO -0.35 0.31 0.12 1.70 0.00 0.00 0.00 176.54 178.33 1h47 h LYS 59 N 0.27 0.26 0.06 4.80 3.64 -1.80 -2.70 116.57 121.11 1h47 h LYS 59 Ca 0.02 -0.02 -0.26 0.00 -1.27 0.00 0.00 60.65 59.13 1h47 h LYS 59 Cb 0.84 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.62 1h47 h LYS 59 CO 0.07 0.17 -1.10 -0.07 -2.27 0.00 0.00 179.45 176.24 1h47 h LEU 60 N 0.27 0.67 -6.08 5.20 4.07 -1.18 -3.39 115.31 114.86 1h47 h LEU 60 Ca 0.13 -0.59 -0.58 0.00 0.08 0.00 0.00 57.88 56.92 1h47 h LEU 60 Cb 0.08 -0.21 -0.41 0.00 1.08 0.00 0.00 40.66 41.20 1h47 h LEU 60 CO -0.11 1.41 -0.83 0.49 -1.08 0.00 0.00 178.44 178.31 1h47 n PHE 61 N -3.73 1.84 -1.81 1.13 3.72 0.11 -5.10 117.46 113.62 1h47 n PHE 61 Ca -0.10 -3.89 -0.41 0.00 -0.05 0.00 0.00 57.45 53.01 1h47 n PHE 61 Cb 0.92 -0.46 -0.00 0.00 -0.94 0.00 0.00 39.48 39.00 1h47 n PHE 61 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1h47 s PRO 62 N -1.94 4.12 0.16 -1.08 0.02 -1.02 -4.55 135.00 130.71 1h47 s PRO 62 Ca 0.38 2.56 -0.14 0.00 0.02 0.00 0.00 61.00 63.82 1h47 s PRO 62 Cb 0.17 -2.97 0.04 0.00 0.02 0.00 0.00 34.50 31.75 1h47 s PRO 62 CO -0.06 -0.52 1.76 -0.44 -0.33 0.00 0.00 177.00 177.41 1h47 h ASP 63 N 3.06 0.63 -0.17 2.53 3.32 -1.96 -1.38 116.42 122.45 1h47 h ASP 63 Ca -0.51 -0.10 0.02 0.00 0.02 0.00 0.00 57.03 56.46 1h47 h ASP 63 Cb 1.24 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 1h47 h ASP 63 CO 0.65 0.55 -0.09 0.41 -1.72 0.00 0.00 179.24 179.03 1h47 n THR 64 N -4.64 -0.11 -2.93 0.35 -1.04 -1.26 -4.47 114.28 100.18 1h47 n THR 64 Ca 0.02 0.42 -0.41 0.00 -2.04 0.00 0.00 64.05 62.03 1h47 n THR 64 Cb 0.09 -0.53 -0.05 0.00 -1.82 0.00 0.00 70.33 68.03 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 -5.08 6.82 0.06 8.00 -1.08 -0.52 -4.96 116.67 119.91 1h47 s ASP 65 Ca -0.02 1.01 0.26 0.00 -0.52 0.00 0.00 52.55 53.28 1h47 s ASP 65 Cb 0.02 -2.42 1.02 0.00 -1.46 0.00 0.00 42.92 40.08 1h47 s ASP 65 CO 0.11 -0.47 1.80 -2.65 0.52 0.00 0.00 175.17 174.49 1h47 n PRO 66 N 5.79 0.07 0.33 4.34 -0.02 -1.26 -3.11 135.00 141.15 1h47 n PRO 66 Ca 0.04 0.12 0.18 0.00 -2.02 0.00 0.00 63.50 61.83 1h47 n PRO 66 Cb 0.48 -1.59 0.98 0.00 -0.02 0.00 0.00 33.50 33.34 1h47 n PRO 66 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1h47 h ALA 67 N 2.76 1.23 -0.36 3.55 0.00 -1.93 -1.73 119.26 122.78 1h47 h ALA 67 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h47 h ALA 67 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1h47 h ALA 67 CO 0.00 -0.21 0.00 1.19 0.00 0.00 0.00 179.25 180.23 1h47 n PHE 68 N -3.00 0.48 -1.68 0.00 3.72 -1.18 -4.93 117.46 110.87 1h47 n PHE 68 Ca -0.02 -0.46 -0.43 0.00 -0.05 0.00 0.00 57.45 56.49 1h47 n PHE 68 Cb 0.26 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.75 1h47 n PHE 68 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1h47 n LYS 69 N 0.64 2.76 -0.44 -1.08 4.01 -0.65 -1.74 118.16 121.65 1h47 n LYS 69 Ca 0.13 1.01 0.00 0.00 -0.51 0.00 0.00 58.31 58.93 1h47 n LYS 69 Cb 0.44 -2.92 0.00 0.00 -0.51 0.00 0.00 35.03 32.04 1h47 n LYS 69 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1h47 n GLY 70 N 4.34 1.68 3.71 0.72 0.00 -1.26 -5.02 105.19 109.37 1h47 n GLY 70 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1h47 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h47 n ALA 71 N 0.13 2.19 -1.93 4.61 0.00 -0.71 -5.01 120.51 119.78 1h47 n ALA 71 Ca 0.00 0.40 -0.26 0.00 0.00 0.00 0.00 53.44 53.58 1h47 n ALA 71 Cb 0.00 -2.43 0.08 0.00 0.00 0.00 0.00 19.45 17.10 1h47 n ALA 71 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1h47 s ASP 72 N 0.67 4.66 0.34 0.00 1.47 -1.26 -4.64 116.67 117.90 1h47 s ASP 72 Ca 0.69 0.39 0.18 0.00 1.18 0.00 0.00 52.55 54.99 1h47 s ASP 72 Cb -0.55 -0.98 0.42 0.00 -0.34 0.00 0.00 42.92 41.47 1h47 s ASP 72 CO 0.43 -1.70 1.61 0.28 0.68 0.00 0.00 175.17 176.47 1h47 h SER 73 N -0.68 0.00 0.32 2.11 0.02 -1.96 -2.14 113.55 111.22 1h47 h SER 73 Ca -0.44 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.37 1h47 h SER 73 Cb 1.31 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.84 1h47 h SER 73 CO 0.57 0.40 -0.56 0.03 -1.14 0.00 0.00 176.83 176.13 1h47 h ARG 74 N 0.00 0.26 -0.38 3.45 3.08 -1.97 -0.53 114.38 118.29 1h47 h ARG 74 Ca -0.00 -0.17 -0.10 0.00 0.07 0.00 0.00 59.98 59.78 1h47 h ARG 74 Cb 1.11 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 1h47 h ARG 74 CO 0.05 0.75 -0.16 0.93 -1.07 0.00 0.00 179.97 180.47 1h47 h GLU 75 N 0.20 0.79 -0.60 0.04 5.08 -1.86 -1.09 114.58 117.14 1h47 h GLU 75 Ca -0.00 -0.34 -0.08 0.00 -1.00 0.00 0.00 59.36 57.94 1h47 h GLU 75 Cb 1.05 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 1h47 h GLU 75 CO 0.09 0.96 0.06 -0.07 -1.00 0.00 0.00 179.01 179.05 1h47 h LEU 76 N 0.59 0.98 -0.16 1.33 3.38 -1.21 -1.94 115.31 118.29 1h47 h LEU 76 Ca 0.09 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.80 1h47 h LEU 76 Cb 0.71 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1h47 h LEU 76 CO 0.05 1.02 0.05 0.25 0.09 0.00 0.00 178.44 179.90 1h47 h LEU 77 N 0.92 0.04 -0.80 1.67 5.85 -1.03 -1.04 115.31 120.93 1h47 h LEU 77 Ca 0.18 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.81 1h47 h LEU 77 Cb 0.47 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1h47 h LEU 77 CO 0.02 0.05 -0.28 0.03 -0.34 0.00 0.00 178.44 177.92 1h47 h ARG 78 N 0.12 0.58 -0.23 1.25 3.08 -1.04 -0.23 114.38 117.91 1h47 h ARG 78 Ca 0.07 -0.24 -0.17 0.00 0.07 0.00 0.00 59.98 59.70 1h47 h ARG 78 Cb 0.05 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1h47 h ARG 78 CO -0.08 0.81 -0.55 1.49 -1.07 0.00 0.00 179.97 180.56 1h47 h GLU 79 N 0.51 0.71 -0.49 0.04 4.57 -1.32 0.08 114.58 118.67 1h47 h GLU 79 Ca 0.07 -0.45 -0.06 0.00 -1.18 0.00 0.00 59.36 57.74 1h47 h GLU 79 Cb 0.75 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.37 1h47 h GLU 79 CO 0.06 1.07 0.09 0.00 -1.18 0.00 0.00 179.01 179.05 1h47 h ALA 80 N 0.84 0.65 -0.85 2.92 0.00 -0.96 -2.10 119.26 119.75 1h47 h ALA 80 Ca 0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1h47 h ALA 80 Cb 1.13 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1h47 h ALA 80 CO 0.11 0.37 0.41 2.35 0.00 0.00 0.00 179.25 182.50 1h47 h TRP 81 N 0.68 1.22 -0.66 0.00 -0.00 -0.88 -1.03 115.95 115.29 1h47 h TRP 81 Ca 0.15 -0.06 0.01 0.00 -0.00 0.00 0.00 58.89 58.99 1h47 h TRP 81 Cb 0.38 -0.38 -0.03 0.00 -0.00 0.00 0.00 29.16 29.13 1h47 h TRP 81 CO 0.03 0.88 0.43 -0.09 -0.00 0.00 0.00 178.44 179.69 1h47 h ARG 82 N 1.21 0.87 -0.13 2.65 2.43 -0.70 -0.53 114.38 120.17 1h47 h ARG 82 Ca 0.29 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.30 1h47 h ARG 82 Cb 0.11 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1h47 h ARG 82 CO -0.04 0.58 -0.40 0.00 -1.51 0.00 0.00 179.97 178.60 1h47 h ARG 83 N 0.89 0.29 -0.31 0.20 3.08 -1.09 -1.75 114.38 115.69 1h47 h ARG 83 Ca 0.24 -0.14 -0.15 0.00 0.07 0.00 0.00 59.98 60.00 1h47 h ARG 83 Cb -0.10 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 1h47 h ARG 83 CO -0.05 0.65 -0.39 0.82 -1.07 0.00 0.00 179.97 179.92 1h47 h ILE 84 N 0.25 1.29 -0.13 2.04 2.04 -0.77 -2.76 117.51 119.47 1h47 h ILE 84 Ca 0.02 -1.58 -0.07 0.00 1.00 0.00 0.00 64.86 64.23 1h47 h ILE 84 Cb 0.81 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 1h47 h ILE 84 CO 0.06 0.51 -0.25 1.56 0.00 0.00 0.00 178.15 180.03 1h47 h GLN 85 N 0.57 0.23 0.00 2.37 4.20 -0.96 -1.50 115.11 120.03 1h47 h GLN 85 Ca 0.04 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1h47 h GLN 85 Cb 0.99 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.74 1h47 h GLN 85 CO 0.09 0.48 -0.06 0.00 -0.67 0.00 0.00 178.83 178.67 1h47 h ALA 86 N 1.53 1.04 -0.05 3.87 0.00 -1.13 -1.78 119.26 122.75 1h47 h ALA 86 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1h47 h ALA 86 Cb 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1h47 h ALA 86 CO 0.04 0.08 0.00 1.17 0.00 0.00 0.00 179.25 180.54 1h47 n LYS 87 N -3.23 1.24 -0.13 0.00 4.81 -0.57 -4.90 118.16 115.38 1h47 n LYS 87 Ca -0.00 -0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.08 1h47 n LYS 87 Cb 0.29 -1.36 0.00 0.00 0.02 0.00 0.00 35.03 33.99 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 0.93 0.63 3.89 3.14 0.00 -0.67 -5.08 105.19 108.03 1h47 n GLY 88 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.21 3.45 0.18 1.61 2.02 -1.16 -4.72 117.35 116.52 1h47 s TYR 89 Ca 0.00 0.76 0.03 0.00 -0.37 0.00 0.00 57.07 57.48 1h47 s TYR 89 Cb 0.00 -2.18 -0.05 0.00 -0.40 0.00 0.00 41.96 39.33 1h47 s TYR 89 CO 0.00 0.22 -0.02 -0.08 -1.57 0.00 0.00 175.55 174.09 1h47 s THR 90 N -1.95 0.84 -0.07 -0.71 -1.32 -0.39 -4.28 115.64 107.77 1h47 s THR 90 Ca 0.46 -2.00 -0.23 0.00 -1.21 0.00 0.00 61.69 58.70 1h47 s THR 90 Cb -0.11 -2.09 -0.04 0.00 -1.51 0.00 0.00 72.50 68.75 1h47 s THR 90 CO 0.26 -0.52 0.68 -0.22 -2.21 0.00 0.00 174.62 172.62 1h47 s LEU 91 N -3.19 4.32 0.00 9.08 2.96 -1.26 -0.55 118.68 130.04 1h47 s LEU 91 Ca 0.23 1.17 0.00 0.00 -0.22 0.00 0.00 54.13 55.31 1h47 s LEU 91 Cb 0.05 -3.06 0.00 0.00 0.50 0.00 0.00 46.19 43.69 1h47 s LEU 91 CO 0.04 -0.10 0.00 0.61 -1.32 0.00 0.00 176.35 175.58 1h47 n GLY 92 N 3.08 0.68 3.70 7.98 0.00 0.19 -4.73 105.19 116.09 1h47 n GLY 92 Ca -0.02 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 -1.38 -0.37 0.05 1.61 4.22 -1.01 -4.85 114.94 113.22 1h47 s ASN 93 Ca 0.00 -0.39 0.02 0.00 -2.14 0.00 0.00 52.86 50.35 1h47 s ASN 93 Cb 0.00 0.68 -0.03 0.00 1.28 0.00 0.00 41.25 43.18 1h47 s ASN 93 CO 0.00 -1.21 -0.08 0.68 -2.04 0.00 0.00 177.10 174.45 1h47 s VAL 94 N -3.85 0.58 -0.01 3.54 -7.23 -0.45 -1.27 120.40 111.72 1h47 s VAL 94 Ca 0.07 -1.24 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 1h47 s VAL 94 Cb -0.04 -0.82 0.01 0.00 0.56 0.00 0.00 36.38 36.09 1h47 s VAL 94 CO -0.00 -0.47 0.01 -0.62 -0.31 0.00 0.00 175.10 173.71 1h47 s ASP 95 N -1.85 0.05 -0.02 4.85 2.15 0.05 -2.01 116.67 119.89 1h47 s ASP 95 Ca -0.06 0.01 0.03 0.00 0.43 0.00 0.00 52.55 52.96 1h47 s ASP 95 Cb -0.07 -0.03 -0.00 0.00 -0.30 0.00 0.00 42.92 42.51 1h47 s ASP 95 CO -0.00 -0.05 -0.10 -0.69 -0.17 0.00 0.00 175.17 174.16 1h47 s VAL 96 N 0.41 0.81 -0.30 1.11 1.01 -0.78 -0.28 120.40 122.37 1h47 s VAL 96 Ca -0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 1h47 s VAL 96 Cb -0.05 -0.70 0.10 0.00 0.00 0.00 0.00 36.38 35.73 1h47 s VAL 96 CO -0.01 0.24 0.10 -0.89 0.00 0.00 0.00 175.10 174.54 1h47 s THR 97 N 0.00 0.71 0.08 3.92 2.01 0.13 -0.61 115.64 121.88 1h47 s THR 97 Ca -0.00 -1.26 -0.30 0.00 0.31 0.00 0.00 61.69 60.44 1h47 s THR 97 Cb -0.07 -1.53 -0.05 0.00 0.01 0.00 0.00 72.50 70.86 1h47 s THR 97 CO 0.00 -0.67 1.04 -0.63 -0.69 0.00 0.00 174.62 173.68 1h47 s ILE 98 N 1.71 4.38 -0.31 1.82 1.01 -0.11 -1.41 121.20 128.30 1h47 s ILE 98 Ca 0.09 1.85 0.01 0.00 0.00 0.00 0.00 60.65 62.60 1h47 s ILE 98 Cb -0.17 -4.18 0.07 0.00 0.01 0.00 0.00 42.46 38.19 1h47 s ILE 98 CO -0.27 0.22 -0.01 -0.63 0.00 0.00 0.00 174.94 174.26 1h47 s ILE 99 N 0.47 2.63 -0.28 2.92 1.01 0.26 -1.26 121.20 126.95 1h47 s ILE 99 Ca 0.51 -1.70 -0.20 0.00 0.00 0.00 0.00 60.65 59.27 1h47 s ILE 99 Cb -0.25 -2.63 0.08 0.00 0.01 0.00 0.00 42.46 39.67 1h47 s ILE 99 CO 0.30 -0.23 0.70 0.00 0.00 0.00 0.00 174.94 175.72 1h47 s ALA 100 N 1.13 -1.84 0.14 9.38 0.00 -0.75 -0.59 121.76 129.23 1h47 s ALA 100 Ca -0.02 2.26 -0.03 0.00 0.00 0.00 0.00 51.96 54.16 1h47 s ALA 100 Cb -0.20 -1.32 -0.07 0.00 0.00 0.00 0.00 23.12 21.52 1h47 s ALA 100 CO -0.04 -0.36 1.32 0.37 0.00 0.00 0.00 175.76 177.05 1h47 h GLN 101 N 6.14 0.39 -2.14 0.00 5.75 -1.82 -3.29 115.11 120.13 1h47 h GLN 101 Ca -0.30 -0.41 0.07 0.00 -0.15 0.00 0.00 58.65 57.86 1h47 h GLN 101 Cb 1.20 0.11 -0.17 0.00 1.07 0.00 0.00 27.48 29.69 1h47 h GLN 101 CO 0.11 1.08 0.44 0.00 -2.65 0.00 0.00 178.83 177.82 1h47 s ALA 102 N -3.29 -1.82 1.05 3.38 0.00 -1.26 -4.82 121.76 115.00 1h47 s ALA 102 Ca -0.05 1.14 -0.17 0.00 0.00 0.00 0.00 51.96 52.87 1h47 s ALA 102 Cb 0.09 0.13 0.23 0.00 0.00 0.00 0.00 23.12 23.57 1h47 s ALA 102 CO 0.86 -0.56 1.25 -1.25 0.00 0.00 0.00 175.76 176.06 1h47 s PRO 103 N -2.45 -0.08 0.15 0.00 0.04 -1.26 -5.03 135.00 126.37 1h47 s PRO 103 Ca 0.01 -0.30 -0.31 0.00 0.04 0.00 0.00 61.00 60.44 1h47 s PRO 103 Cb -0.01 -1.75 -0.08 0.00 0.04 0.00 0.00 34.50 32.70 1h47 s PRO 103 CO -0.05 -2.91 1.37 0.21 0.04 0.00 0.00 177.00 175.66 1h47 s LYS 104 N -5.72 4.34 -0.16 4.56 2.47 -1.26 -4.93 119.74 119.03 1h47 s LYS 104 Ca 0.73 2.08 0.07 0.00 -1.56 0.00 0.00 55.97 57.30 1h47 s LYS 104 Cb -0.06 -3.22 -0.23 0.00 -1.46 0.00 0.00 37.83 32.87 1h47 s LYS 104 CO 0.54 -0.37 0.18 -1.33 0.16 0.00 0.00 175.35 174.53 1h47 n MET 105 N 3.38 0.68 -0.35 4.03 2.81 -1.26 -4.66 117.12 121.75 1h47 n MET 105 Ca 0.09 0.16 0.11 0.00 -1.81 0.00 0.00 57.70 56.25 1h47 n MET 105 Cb 0.42 -1.62 0.30 0.00 -0.71 0.00 0.00 33.22 31.61 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 0.83 -2.21 4.03 5.85 -1.98 0.22 115.31 122.06 1h47 h LEU 106 Ca -0.47 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.37 1h47 h LEU 106 Cb 2.06 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 43.00 1h47 h LEU 106 CO 0.02 0.36 0.15 -0.65 -0.34 0.00 0.00 178.44 177.99 1h47 h PRO 107 N 0.85 0.00 -0.00 5.25 0.11 -2.02 -3.02 132.00 133.17 1h47 h PRO 107 Ca 0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.65 1h47 h PRO 107 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1h47 h PRO 107 CO -0.33 0.00 -0.77 0.72 -0.21 0.00 0.00 178.00 177.41 1h47 n HIS 108 N -3.98 0.00 -0.15 0.65 8.25 0.73 -4.63 115.22 116.09 1h47 n HIS 108 Ca 0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.37 1h47 n HIS 108 Cb 0.28 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.38 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 0.24 1.27 -0.83 1.59 2.04 -1.33 -2.26 117.51 118.23 1h47 h ILE 109 Ca 0.00 -1.11 0.20 0.00 1.00 0.00 0.00 64.86 64.95 1h47 h ILE 109 Cb 0.44 1.09 -0.13 0.00 -0.74 0.00 0.00 36.82 37.48 1h47 h ILE 109 CO 0.00 0.38 0.22 -0.65 0.00 0.00 0.00 178.15 178.10 1h47 h PRO 110 N 0.65 0.24 -0.07 2.37 0.11 -1.82 -0.51 132.00 132.98 1h47 h PRO 110 Ca 0.12 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.06 1h47 h PRO 110 Cb 0.55 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 1h47 h PRO 110 CO 0.03 0.16 -0.66 0.37 -0.21 0.00 0.00 178.00 177.69 1h47 h GLN 111 N 0.25 0.27 -0.42 1.05 5.75 -1.81 -1.90 115.11 118.30 1h47 h GLN 111 Ca 0.50 -0.21 -0.02 0.00 -0.15 0.00 0.00 58.65 58.77 1h47 h GLN 111 Cb 0.93 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.50 1h47 h GLN 111 CO -0.59 0.84 0.18 0.52 -2.65 0.00 0.00 178.83 177.12 1h47 h MET 112 N 0.19 0.63 -0.86 1.69 2.86 -0.81 -1.84 114.93 116.79 1h47 h MET 112 Ca -0.01 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 1h47 h MET 112 Cb 1.19 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.71 1h47 h MET 112 CO 0.10 0.58 0.44 0.00 1.06 0.00 0.00 176.91 179.09 1h47 h ARG 113 N 0.54 1.22 -0.04 1.72 3.08 -0.50 -1.58 114.38 118.82 1h47 h ARG 113 Ca 0.14 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1h47 h ARG 113 Cb 0.17 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1h47 h ARG 113 CO -0.01 0.92 0.02 0.28 -1.07 0.00 0.00 179.97 180.11 1h47 h VAL 114 N 1.22 1.08 -0.95 2.04 2.07 -1.25 -0.68 116.25 119.78 1h47 h VAL 114 Ca 0.30 -0.24 0.07 0.00 0.82 0.00 0.00 66.70 67.65 1h47 h VAL 114 Cb 0.08 1.17 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 1h47 h VAL 114 CO -0.04 0.07 0.62 -0.26 0.02 0.00 0.00 177.57 177.97 1h47 h PHE 115 N -0.03 1.11 -0.17 1.57 0.04 -1.01 -0.39 116.94 118.06 1h47 h PHE 115 Ca 0.02 0.03 -0.18 0.00 2.80 0.00 0.00 57.97 60.63 1h47 h PHE 115 Cb 0.09 -0.36 0.01 0.00 2.20 0.00 0.00 35.95 37.89 1h47 h PHE 115 CO -0.04 0.56 -0.62 0.82 -0.60 0.00 0.00 178.31 178.43 1h47 h ILE 116 N 1.07 1.31 -0.33 -0.55 2.04 -1.13 -0.84 117.51 119.07 1h47 h ILE 116 Ca 0.42 -1.85 -0.07 0.00 1.00 0.00 0.00 64.86 64.36 1h47 h ILE 116 Cb 0.23 1.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 1h47 h ILE 116 CO -0.17 0.58 -0.08 0.00 0.00 0.00 0.00 178.15 178.47 1h47 h ALA 117 N 0.55 1.23 -0.06 1.87 0.00 -0.82 -0.46 119.26 121.59 1h47 h ALA 117 Ca -0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1h47 h ALA 117 Cb 1.25 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1h47 h ALA 117 CO 0.13 0.50 0.00 0.93 0.00 0.00 0.00 179.25 180.81 1h47 h GLU 118 N 0.52 0.10 -0.28 0.00 5.08 -0.97 -0.52 114.58 118.50 1h47 h GLU 118 Ca 0.10 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1h47 h GLU 118 Cb 0.46 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1h47 h GLU 118 CO 0.02 0.37 0.03 -0.44 -1.00 0.00 0.00 179.01 177.99 1h47 h ASP 119 N -0.19 0.37 -0.03 1.42 3.32 -0.82 -2.58 116.42 117.92 1h47 h ASP 119 Ca 0.02 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1h47 h ASP 119 Cb 0.33 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1h47 h ASP 119 CO 0.00 0.42 0.00 0.18 -1.72 0.00 0.00 179.24 178.12 1h47 n LEU 120 N -4.34 2.44 -2.68 1.55 4.77 -0.21 -4.75 117.00 113.78 1h47 n LEU 120 Ca 0.01 -0.81 -0.21 0.00 -0.03 0.00 0.00 56.01 54.96 1h47 n LEU 120 Cb 0.20 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1h47 n LEU 120 CO 0.37 0.41 -0.15 0.61 -1.33 0.00 0.00 177.39 177.30 1h47 n GLY 121 N 1.28 -0.51 3.77 -0.72 0.00 -0.50 -4.94 105.19 103.57 1h47 n GLY 121 Ca 0.16 0.05 -0.33 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 -2.87 3.42 0.44 0.00 3.76 -1.26 -4.57 115.29 114.21 1h47 s HIS 123 Ca 0.07 1.48 0.17 0.00 -0.15 0.00 0.00 55.06 56.63 1h47 s HIS 123 Cb 0.01 -2.81 1.07 0.00 1.11 0.00 0.00 32.58 31.97 1h47 s HIS 123 CO 0.04 -0.40 2.00 0.52 -0.85 0.00 0.00 174.74 176.05 1h47 h MET 124 N 0.95 0.00 0.00 1.40 0.00 -1.92 -2.11 114.93 113.24 1h47 h MET 124 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.23 1h47 h MET 124 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.79 1h47 h MET 124 CO 0.61 0.18 0.00 -3.47 0.00 0.00 0.00 176.91 174.23 1h47 n ASP 125 N -4.19 0.00 -0.76 1.22 -0.08 -1.26 -1.61 116.55 109.87 1h47 n ASP 125 Ca -0.02 0.46 0.11 0.00 -1.51 0.00 0.00 54.79 53.83 1h47 n ASP 125 Cb 0.25 -0.48 0.32 0.00 2.34 0.00 0.00 41.12 43.55 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 -1.48 2.30 -3.91 1.67 8.00 -0.79 -4.90 116.55 117.43 1h47 n ASP 126 Ca 0.04 -1.80 -0.25 0.00 0.71 0.00 0.00 54.79 53.49 1h47 n ASP 126 Cb 0.15 -0.12 -0.17 0.00 -0.02 0.00 0.00 41.12 40.96 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 -1.76 0.88 -0.03 2.53 1.01 -0.63 -1.34 120.40 121.06 1h47 s VAL 127 Ca 0.34 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.11 1h47 s VAL 127 Cb 0.20 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 1h47 s VAL 127 CO 0.29 0.32 -0.14 0.21 0.00 0.00 0.00 175.10 175.78 1h47 s ASN 128 N 1.35 1.75 -0.01 3.32 2.47 -0.85 -4.98 114.94 117.98 1h47 s ASN 128 Ca -0.03 -0.28 0.03 0.00 0.42 0.00 0.00 52.86 53.01 1h47 s ASN 128 Cb -0.14 -0.36 -0.01 0.00 -1.45 0.00 0.00 41.25 39.30 1h47 s ASN 128 CO -0.03 0.14 -0.11 -0.69 -3.72 0.00 0.00 177.10 172.69 1h47 s VAL 129 N -0.08 0.86 0.24 -5.21 1.01 -1.26 -1.87 120.40 114.09 1h47 s VAL 129 Ca 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 1h47 s VAL 129 Cb -0.08 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 1h47 s VAL 129 CO 0.01 0.25 0.23 -1.59 0.00 0.00 0.00 175.10 174.00 1h47 s LYS 130 N -0.17 1.38 0.02 2.72 -2.85 0.22 -4.95 119.74 116.11 1h47 s LYS 130 Ca 0.03 -1.63 0.01 0.00 -1.00 0.00 0.00 55.97 53.37 1h47 s LYS 130 Cb -0.05 0.32 -0.02 0.00 -2.06 0.00 0.00 37.83 36.02 1h47 s LYS 130 CO -0.00 -0.49 -0.04 0.00 0.10 0.00 0.00 175.35 174.92 1h47 s ALA 131 N -3.97 0.24 0.00 0.59 0.00 -1.26 -0.94 121.76 116.43 1h47 s ALA 131 Ca 0.36 -0.48 -0.02 0.00 0.00 0.00 0.00 51.96 51.82 1h47 s ALA 131 Cb 0.05 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 1h47 s ALA 131 CO 0.14 -0.07 0.04 -0.08 0.00 0.00 0.00 175.76 175.79 1h47 s THR 132 N -1.02 0.07 0.81 0.00 -1.32 -0.39 -4.94 115.64 108.85 1h47 s THR 132 Ca -0.10 -0.59 -0.07 0.00 -1.21 0.00 0.00 61.69 59.72 1h47 s THR 132 Cb -0.07 -0.26 0.15 0.00 -1.51 0.00 0.00 72.50 70.81 1h47 s THR 132 CO -0.00 -0.33 1.12 0.42 -2.21 0.00 0.00 174.62 173.62 1h47 s THR 133 N -1.01 2.11 -0.20 5.08 -4.23 -1.24 -1.81 115.64 114.33 1h47 s THR 133 Ca -0.11 -0.34 0.14 0.00 -1.18 0.00 0.00 61.69 60.20 1h47 s THR 133 Cb -0.07 -2.77 0.43 0.00 1.34 0.00 0.00 72.50 71.43 1h47 s THR 133 CO -0.00 0.00 1.31 0.35 -0.54 0.00 0.00 174.62 175.74 1h47 n THR 134 N -3.19 2.23 -3.62 3.99 -2.24 -1.26 -4.86 114.28 105.33 1h47 n THR 134 Ca 0.14 -2.58 -0.20 0.00 -2.27 0.00 0.00 64.05 59.14 1h47 n THR 134 Cb 0.60 -0.27 0.05 0.00 -2.10 0.00 0.00 70.33 68.62 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 -1.09 -5.43 -1.41 -0.78 -0.58 -1.26 -1.06 120.64 109.02 1h47 n GLU 135 Ca 0.23 0.69 -0.15 0.00 -0.42 0.00 0.00 57.16 57.51 1h47 n GLU 135 Cb 0.81 -5.39 -0.06 0.00 -0.57 0.00 0.00 31.44 26.23 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 -4.23 -1.57 -4.01 3.49 4.76 -1.26 -4.98 118.16 110.36 1h47 n LYS 136 Ca -0.30 0.99 -0.30 0.00 -2.87 0.00 0.00 58.31 55.83 1h47 n LYS 136 Cb 0.68 -5.35 -0.06 0.00 -1.84 0.00 0.00 35.03 28.46 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 -3.48 3.97 0.01 -0.35 1.43 -0.22 -4.15 118.68 115.89 1h47 s LEU 137 Ca 0.00 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 1h47 s LEU 137 Cb 0.00 -2.62 0.00 0.00 0.03 0.00 0.00 46.19 43.60 1h47 s LEU 137 CO 0.00 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.35 1h47 n GLY 138 N 0.29 -1.50 0.35 -3.19 0.00 -1.26 -1.22 105.19 98.65 1h47 n GLY 138 Ca -0.08 -1.52 0.13 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.03 0.33 -0.20 1.61 -0.00 -1.96 -1.56 116.94 115.12 1h47 h PHE 139 Ca -0.00 0.01 -0.11 0.00 -0.00 0.00 0.00 57.97 57.87 1h47 h PHE 139 Cb 0.03 -0.11 -0.00 0.00 -0.00 0.00 0.00 35.95 35.88 1h47 h PHE 139 CO -0.06 0.15 -0.29 1.79 -0.00 0.00 0.00 178.31 179.90 1h47 h THR 140 N 0.31 1.33 0.00 0.88 1.35 -1.76 -0.34 112.91 114.68 1h47 h THR 140 Ca 0.26 -1.50 -0.08 0.00 -0.55 0.00 0.00 66.41 64.54 1h47 h THR 140 Cb 0.62 1.83 -0.01 0.00 -1.73 0.00 0.00 68.15 68.86 1h47 h THR 140 CO -0.06 0.46 -0.36 1.23 -0.25 0.00 0.00 175.52 176.54 1h47 h GLY 141 N 0.22 0.00 1.06 5.82 0.00 -0.60 -2.18 103.07 107.39 1h47 h GLY 141 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1h47 h GLY 141 CO 0.07 0.00 -0.03 0.54 0.00 0.00 0.00 176.54 177.12 1h47 n ARG 142 N -3.78 0.78 -1.04 4.80 1.74 -0.64 -4.36 116.66 114.17 1h47 n ARG 142 Ca -0.01 -0.12 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 1h47 n ARG 142 Cb 0.44 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 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 1.18 0.45 0.13 -0.13 0.00 -0.82 -4.95 105.19 101.04 1h47 n GLY 143 Ca 0.18 -0.97 0.04 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.27 -3.45 114.58 116.55 1h47 h GLU 144 Ca 0.00 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.52 1h47 h GLU 144 Cb 0.14 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1h47 h GLU 144 CO 0.00 0.26 0.52 0.41 -1.00 0.00 0.00 179.01 179.20 1h47 n GLY 145 N 1.27 0.63 2.99 -3.84 0.00 -1.21 -1.45 105.19 103.57 1h47 n GLY 145 Ca -0.03 -1.06 -0.16 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.14 0.49 0.22 -0.61 1.01 -0.64 -4.38 121.20 115.15 1h47 s ILE 146 Ca 0.19 -0.44 0.08 0.00 0.00 0.00 0.00 60.65 60.47 1h47 s ILE 146 Cb -0.02 -0.45 -0.05 0.00 0.01 0.00 0.00 42.46 41.96 1h47 s ILE 146 CO 0.03 0.02 -0.12 0.00 0.00 0.00 0.00 174.94 174.86 1h47 s ALA 147 N -0.42 2.10 -0.15 9.38 0.00 0.24 -1.96 121.76 130.96 1h47 s ALA 147 Ca -0.00 -1.72 -0.13 0.00 0.00 0.00 0.00 51.96 50.10 1h47 s ALA 147 Cb -0.04 -0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.10 1h47 s ALA 147 CO -0.00 0.04 0.39 0.00 0.00 0.00 0.00 175.76 176.19 1h47 s GLU 149 N 0.36 1.70 -0.04 0.00 2.02 -0.50 -1.28 118.70 120.96 1h47 s GLU 149 Ca -0.01 -1.50 -0.11 0.00 0.02 0.00 0.00 54.97 53.36 1h47 s GLU 149 Cb -0.03 -1.92 0.02 0.00 0.10 0.00 0.00 34.13 32.30 1h47 s GLU 149 CO -0.01 0.39 0.25 0.00 0.02 0.00 0.00 175.26 175.91 1h47 s ALA 150 N -1.85 -0.62 0.06 5.21 0.00 -0.51 0.18 121.76 124.23 1h47 s ALA 150 Ca 0.24 0.33 0.06 0.00 0.00 0.00 0.00 51.96 52.58 1h47 s ALA 150 Cb -0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 1h47 s ALA 150 CO 0.12 -0.21 -0.16 0.14 0.00 0.00 0.00 175.76 175.65 1h47 s VAL 151 N -0.92 1.29 0.05 0.00 -7.23 0.61 -1.29 120.40 112.91 1h47 s VAL 151 Ca -0.10 -1.18 0.03 0.00 -1.81 0.00 0.00 61.98 58.92 1h47 s VAL 151 Cb -0.05 -1.17 -0.03 0.00 0.56 0.00 0.00 36.38 35.69 1h47 s VAL 151 CO 0.02 -0.03 -0.09 0.00 -0.31 0.00 0.00 175.10 174.69 1h47 s ALA 152 N -0.99 0.73 -0.14 1.32 0.00 -0.77 -0.77 121.76 121.14 1h47 s ALA 152 Ca 0.02 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.16 1h47 s ALA 152 Cb -0.09 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.06 1h47 s ALA 152 CO 0.02 0.02 -0.21 -1.17 0.00 0.00 0.00 175.76 174.42 1h47 s LEU 153 N -1.68 2.05 0.20 0.00 2.96 -0.39 -1.72 118.68 120.10 1h47 s LEU 153 Ca -0.07 -0.59 0.05 0.00 -0.22 0.00 0.00 54.13 53.30 1h47 s LEU 153 Cb -0.09 -1.40 -0.04 0.00 0.50 0.00 0.00 46.19 45.16 1h47 s LEU 153 CO 0.01 0.05 0.22 -0.76 -1.32 0.00 0.00 176.35 174.55 1h47 s LEU 154 N 0.95 4.01 -0.10 -0.68 1.43 -0.36 -0.64 118.68 123.28 1h47 s LEU 154 Ca -0.04 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 52.98 1h47 s LEU 154 Cb -0.15 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.47 1h47 s LEU 154 CO -0.04 0.01 -0.07 -0.63 0.23 0.00 0.00 176.35 175.85 1h47 s ILE 155 N -1.89 3.68 -2.03 -0.59 1.01 0.29 -1.67 121.20 119.99 1h47 s ILE 155 Ca 0.33 -0.47 0.16 0.00 0.00 0.00 0.00 60.65 60.67 1h47 s ILE 155 Cb -0.09 -2.54 0.13 0.00 0.01 0.00 0.00 42.46 39.96 1h47 s ILE 155 CO 0.26 0.55 1.02 2.29 0.00 0.00 0.00 174.94 179.06