#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mhy s LYS 2 N 0.00 0.57 -0.41 0.03 -0.14 -0.00 -1.09 119.74 118.70 3mhy s LYS 2 Ca 0.00 -0.51 -0.13 0.00 -1.36 0.00 0.00 55.97 53.97 3mhy s LYS 2 Cb 0.00 -0.47 0.03 0.00 -1.68 0.00 0.00 37.83 35.71 3mhy s LYS 2 CO 0.00 0.11 0.27 -1.17 -0.76 0.00 0.00 175.35 173.81 3mhy s LEU 3 N -0.87 5.04 -0.36 3.17 2.96 0.84 -0.97 118.68 128.50 3mhy s LEU 3 Ca -0.03 -1.04 -0.21 0.00 -0.22 0.00 0.00 54.13 52.63 3mhy s LEU 3 Cb -0.06 -2.10 0.00 0.00 0.50 0.00 0.00 46.19 44.53 3mhy s LEU 3 CO 0.00 -0.46 0.67 -0.69 -1.32 0.00 0.00 176.35 174.55 3mhy s VAL 4 N 1.61 4.86 -0.18 1.68 1.01 0.29 -0.91 120.40 128.76 3mhy s VAL 4 Ca 0.04 0.66 -0.04 0.00 0.00 0.00 0.00 61.98 62.64 3mhy s VAL 4 Cb -0.20 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 3mhy s VAL 4 CO 0.08 -0.34 -0.04 -0.32 0.00 0.00 0.00 175.10 174.48 3mhy s MET 5 N 2.79 3.56 -0.03 2.72 1.75 -0.09 -0.91 119.30 129.10 3mhy s MET 5 Ca 0.26 -0.56 0.04 0.00 -1.25 0.00 0.00 55.69 54.17 3mhy s MET 5 Cb -0.14 -2.94 -0.00 0.00 2.84 0.00 0.00 34.83 34.58 3mhy s MET 5 CO 0.15 0.09 -0.13 0.00 -0.65 0.00 0.00 175.02 174.48 3mhy s ALA 6 N 0.75 1.16 -0.30 4.11 0.00 0.23 0.08 121.76 127.78 3mhy s ALA 6 Ca -0.02 -0.52 -0.08 0.00 0.00 0.00 0.00 51.96 51.34 3mhy s ALA 6 Cb -0.15 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 3mhy s ALA 6 CO 0.02 0.22 0.12 0.42 0.00 0.00 0.00 175.76 176.54 3mhy s ILE 7 N 0.01 4.38 0.30 0.00 -1.09 -0.17 -0.23 121.20 124.39 3mhy s ILE 7 Ca -0.01 -0.46 0.05 0.00 -2.23 0.00 0.00 60.65 58.00 3mhy s ILE 7 Cb -0.09 -3.21 -0.06 0.00 -1.58 0.00 0.00 42.46 37.52 3mhy s ILE 7 CO 0.01 0.11 0.01 0.27 -1.23 0.00 0.00 174.94 174.11 3mhy s ILE 8 N 1.58 1.34 0.27 2.92 -4.36 -0.13 -2.38 121.20 120.44 3mhy s ILE 8 Ca 0.04 -2.05 -0.29 0.00 -0.26 0.00 0.00 60.65 58.09 3mhy s ILE 8 Cb -0.17 -2.61 -0.10 0.00 1.25 0.00 0.00 42.46 40.84 3mhy s ILE 8 CO 0.05 -0.16 1.26 -0.54 0.24 0.00 0.00 174.94 175.79 3mhy s LYS 9 N -3.83 4.44 0.39 0.37 1.02 -1.26 -1.37 119.74 119.50 3mhy s LYS 9 Ca 0.33 2.06 0.10 0.00 0.02 0.00 0.00 55.97 58.48 3mhy s LYS 9 Cb 0.07 -3.14 0.88 0.00 -0.52 0.00 0.00 37.83 35.11 3mhy s LYS 9 CO 0.13 -0.11 1.93 -1.35 -0.92 0.00 0.00 175.35 175.03 3mhy h PRO 10 N 4.18 0.59 0.00 -1.68 0.11 -1.89 -0.71 132.00 132.59 3mhy h PRO 10 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3mhy h PRO 10 Cb 1.22 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3mhy h PRO 10 CO 0.70 0.39 0.00 1.97 -0.21 0.00 0.00 178.00 180.85 3mhy n PHE 11 N -4.50 0.00 1.19 0.65 1.16 -1.26 -2.58 117.46 112.11 3mhy n PHE 11 Ca 0.13 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.84 3mhy n PHE 11 Cb 0.39 -0.18 0.25 0.00 -1.61 0.00 0.00 39.48 38.33 3mhy n PHE 11 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 3mhy n LYS 12 N -1.18 1.60 -0.17 3.97 4.76 -0.27 -4.51 118.16 122.36 3mhy n LYS 12 Ca 0.12 -1.17 -0.07 0.00 -2.87 0.00 0.00 58.31 54.32 3mhy n LYS 12 Cb 0.13 -1.48 0.02 0.00 -1.84 0.00 0.00 35.03 31.87 3mhy n LYS 12 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3mhy h LEU 13 N 2.86 0.57 -0.78 -0.35 5.85 -1.62 -1.48 115.31 120.34 3mhy h LEU 13 Ca 0.00 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 3mhy h LEU 13 Cb 0.71 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 3mhy h LEU 13 CO 0.00 0.41 0.47 0.44 -0.34 0.00 0.00 178.44 179.42 3mhy h ASP 14 N 0.67 0.94 -0.26 1.25 3.32 -1.85 0.36 116.42 120.86 3mhy h ASP 14 Ca 0.19 -0.07 -0.19 0.00 0.02 0.00 0.00 57.03 56.98 3mhy h ASP 14 Cb -0.07 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.25 3mhy h ASP 14 CO -0.05 0.73 -0.58 -0.08 -1.72 0.00 0.00 179.24 177.55 3mhy h GLU 15 N 1.07 0.86 -0.56 3.56 4.81 -1.79 -0.72 114.58 121.82 3mhy h GLU 15 Ca 0.28 -0.56 -0.03 0.00 -0.13 0.00 0.00 59.36 58.92 3mhy h GLU 15 Cb -0.04 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3mhy h GLU 15 CO -0.05 1.19 0.23 0.28 -0.73 0.00 0.00 179.01 179.93 3mhy h VAL 16 N 0.65 1.22 -0.13 0.32 2.07 -1.10 0.13 116.25 119.40 3mhy h VAL 16 Ca 0.01 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 3mhy h VAL 16 Cb 1.19 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3mhy h VAL 16 CO 0.13 0.26 0.08 -0.09 0.02 0.00 0.00 177.57 177.97 3mhy h ARG 17 N 0.76 0.18 -0.58 1.57 1.12 -0.81 -1.78 114.38 114.85 3mhy h ARG 17 Ca 0.19 -0.01 -0.07 0.00 -1.11 0.00 0.00 59.98 58.97 3mhy h ARG 17 Cb 0.19 -0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 30.08 3mhy h ARG 17 CO -0.02 0.15 0.07 1.49 -3.11 0.00 0.00 179.97 178.56 3mhy h GLU 18 N 0.16 0.94 -0.73 0.20 4.22 -0.94 -0.20 114.58 118.24 3mhy h GLU 18 Ca 0.05 -0.24 -0.00 0.00 0.08 0.00 0.00 59.36 59.24 3mhy h GLU 18 Cb 0.02 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 3mhy h GLU 18 CO -0.01 0.89 0.44 0.00 -2.18 0.00 0.00 179.01 178.15 3mhy h ALA 19 N 1.18 0.93 -0.13 2.92 0.00 -0.73 -0.57 119.26 122.86 3mhy h ALA 19 Ca 0.18 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3mhy h ALA 19 Cb 0.42 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3mhy h ALA 19 CO 0.01 0.39 -0.29 -0.07 0.00 0.00 0.00 179.25 179.30 3mhy h LEU 20 N 0.99 0.48 -0.74 0.00 3.38 -0.76 -2.27 115.31 116.40 3mhy h LEU 20 Ca 0.26 -0.56 -0.13 0.00 0.09 0.00 0.00 57.88 57.54 3mhy h LEU 20 Cb -0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3mhy h LEU 20 CO -0.05 0.96 -0.45 0.71 0.09 0.00 0.00 178.44 179.70 3mhy h THR 21 N 0.03 1.32 -0.04 0.22 1.35 -0.94 -1.10 112.91 113.74 3mhy h THR 21 Ca 0.00 -1.63 -0.09 0.00 -0.55 0.00 0.00 66.41 64.13 3mhy h THR 21 Cb 0.88 1.68 -0.01 0.00 -1.73 0.00 0.00 68.15 68.97 3mhy h THR 21 CO 0.06 0.50 -0.41 0.28 -0.25 0.00 0.00 175.52 175.70 3mhy h SER 22 N 0.34 0.10 0.65 5.36 0.02 -1.14 -2.18 113.55 116.69 3mhy h SER 22 Ca 0.02 -0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 3mhy h SER 22 Cb 0.92 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 3mhy h SER 22 CO 0.08 0.50 -0.36 0.25 -1.14 0.00 0.00 176.83 176.16 3mhy h LEU 23 N 0.08 0.00 0.00 5.07 5.85 -0.89 -3.47 115.31 121.95 3mhy h LEU 23 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3mhy h LEU 23 Cb 0.76 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.79 3mhy h LEU 23 CO 0.06 0.36 0.00 0.61 -0.34 0.00 0.00 178.44 179.13 3mhy n GLY 24 N -0.05 1.35 3.76 3.75 0.00 -0.79 -5.09 105.19 108.12 3mhy n GLY 24 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3mhy n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mhy s ILE 25 N -1.98 2.81 -0.17 -0.61 -1.09 -0.49 -4.94 121.20 114.73 3mhy s ILE 25 Ca 0.00 0.78 0.14 0.00 -2.23 0.00 0.00 60.65 59.33 3mhy s ILE 25 Cb 0.00 -3.50 0.39 0.00 -1.58 0.00 0.00 42.46 37.78 3mhy s ILE 25 CO 0.00 0.17 1.20 0.00 -1.23 0.00 0.00 174.94 175.08 3mhy n GLN 26 N 1.19 1.31 -3.62 2.79 6.02 -1.26 -4.43 117.38 119.38 3mhy n GLN 26 Ca 0.01 -2.99 -0.05 0.00 -0.01 0.00 0.00 57.00 53.96 3mhy n GLN 26 Cb 0.42 -1.37 -0.05 0.00 1.02 0.00 0.00 30.24 30.26 3mhy n GLN 26 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3mhy s GLY 27 N -2.98 -0.05 -0.28 1.08 0.00 -1.26 -5.11 107.32 98.73 3mhy s GLY 27 Ca 0.36 2.52 -0.24 0.00 0.00 0.00 0.00 44.72 47.36 3mhy s GLY 27 CO -0.07 1.09 0.87 -2.27 0.00 0.00 0.00 173.10 172.72 3mhy s LEU 28 N -1.03 -0.62 -0.04 0.66 2.96 -1.26 -4.74 118.68 114.61 3mhy s LEU 28 Ca 0.05 1.17 0.05 0.00 -0.22 0.00 0.00 54.13 55.18 3mhy s LEU 28 Cb -0.01 2.17 -0.01 0.00 0.50 0.00 0.00 46.19 48.84 3mhy s LEU 28 CO -0.04 -0.20 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.70 3mhy s THR 29 N 0.47 1.65 0.03 3.68 2.01 -0.63 -5.01 115.64 117.84 3mhy s THR 29 Ca 0.00 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.18 3mhy s THR 29 Cb -0.05 -1.40 -0.02 0.00 0.01 0.00 0.00 72.50 71.05 3mhy s THR 29 CO -0.05 0.47 -0.11 0.68 -0.69 0.00 0.00 174.62 174.92 3mhy s VAL 30 N -0.15 0.81 0.04 3.82 -7.23 -1.26 -0.40 120.40 116.03 3mhy s VAL 30 Ca -0.01 -0.84 0.02 0.00 -1.81 0.00 0.00 61.98 59.34 3mhy s VAL 30 Cb -0.11 -0.76 -0.02 0.00 0.56 0.00 0.00 36.38 36.05 3mhy s VAL 30 CO 0.02 -0.06 -0.06 -0.44 -0.31 0.00 0.00 175.10 174.24 3mhy s SER 31 N -1.01 0.67 -0.10 4.85 0.01 -0.01 -4.98 113.70 113.13 3mhy s SER 31 Ca -0.01 -0.53 -0.21 0.00 1.31 0.00 0.00 55.95 56.51 3mhy s SER 31 Cb -0.07 0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.18 3mhy s SER 31 CO 0.01 -0.23 0.61 -1.61 0.41 0.00 0.00 173.24 172.42 3mhy s GLU 32 N -1.53 4.38 0.30 12.44 2.02 -1.26 -0.80 118.70 134.26 3mhy s GLU 32 Ca -0.12 0.69 0.04 0.00 0.02 0.00 0.00 54.97 55.60 3mhy s GLU 32 Cb -0.10 -3.45 -0.03 0.00 0.10 0.00 0.00 34.13 30.64 3mhy s GLU 32 CO -0.00 0.08 0.20 0.14 0.02 0.00 0.00 175.26 175.70 3mhy s VAL 33 N 0.82 0.14 0.19 2.63 -7.23 -0.83 -4.91 120.40 111.20 3mhy s VAL 33 Ca 0.32 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.53 3mhy s VAL 33 Cb -0.17 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.24 3mhy s VAL 33 CO 0.14 0.00 -0.05 -0.54 -0.31 0.00 0.00 175.10 174.34 3mhy s LYS 34 N -3.72 1.20 0.05 4.82 1.02 -1.26 -1.23 119.74 120.62 3mhy s LYS 34 Ca 0.38 -1.57 -0.27 0.00 0.02 0.00 0.00 55.97 54.53 3mhy s LYS 34 Cb 0.04 -0.63 0.09 0.00 -0.52 0.00 0.00 37.83 36.81 3mhy s LYS 34 CO 0.21 -0.01 1.20 0.20 -0.92 0.00 0.00 175.35 176.03 3mhy s GLY 35 N -3.24 -0.14 0.11 -3.33 0.00 -0.32 -4.87 107.32 95.52 3mhy s GLY 35 Ca 0.23 0.11 -0.07 0.00 0.00 0.00 0.00 44.72 44.99 3mhy s GLY 35 CO 0.05 2.96 0.17 -0.11 0.00 0.00 0.00 173.10 176.17 3mhy s PHE 36 N -2.26 0.35 0.00 1.90 -0.12 -1.26 -1.01 117.98 115.58 3mhy s PHE 36 Ca 0.22 -0.77 0.00 0.00 -0.05 0.00 0.00 56.93 56.33 3mhy s PHE 36 Cb 0.00 -0.15 0.00 0.00 -0.63 0.00 0.00 43.02 42.24 3mhy s PHE 36 CO 0.00 -0.56 0.00 0.41 -0.05 0.00 0.00 175.22 175.02 3mhy n GLY 37 N -0.08 5.17 0.27 1.99 0.00 -1.26 -4.93 105.19 106.35 3mhy n GLY 37 Ca -0.12 -1.64 0.11 0.00 0.00 0.00 0.00 46.02 44.37 3mhy n GLY 37 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3mhy h ARG 38 N 0.00 0.00 -0.10 1.61 3.08 -2.02 -2.05 114.38 114.91 3mhy h ARG 38 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mhy h ARG 38 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3mhy h ARG 38 CO 0.00 0.04 0.00 1.04 -1.07 0.00 0.00 179.97 179.98 3mhy n GLN 39 N -4.13 1.80 -2.80 0.04 3.00 -1.26 -4.95 117.38 109.09 3mhy n GLN 39 Ca -0.03 -1.19 -0.22 0.00 -0.01 0.00 0.00 57.00 55.56 3mhy n GLN 39 Cb 0.13 -1.45 0.02 0.00 0.00 0.00 0.00 30.24 28.94 3mhy n GLN 39 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 3mhy n LYS 40 N 0.42 -3.75 -0.77 -1.09 4.01 -0.77 -1.96 118.16 114.26 3mhy n LYS 40 Ca 0.18 0.93 0.00 0.00 -0.51 0.00 0.00 58.31 58.91 3mhy n LYS 40 Cb 0.38 -5.70 0.00 0.00 -0.51 0.00 0.00 35.03 29.21 3mhy n LYS 40 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3mhy n GLY 41 N -1.35 0.67 3.83 0.72 0.00 -1.25 -2.57 105.19 105.24 3mhy n GLY 41 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 3mhy n GLY 41 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mhy s GLN 42 N -0.23 3.72 0.00 1.61 1.03 -0.83 -4.71 119.66 120.25 3mhy s GLN 42 Ca 0.00 -0.02 0.00 0.00 0.04 0.00 0.00 55.36 55.38 3mhy s GLN 42 Cb 0.00 -3.25 0.00 0.00 0.03 0.00 0.00 33.01 29.79 3mhy s GLN 42 CO 0.00 0.64 0.27 -2.37 -2.54 0.00 0.00 175.29 171.29 3mhy n THR 43 N 2.34 0.00 -3.75 3.63 5.66 -1.26 -4.89 114.28 116.00 3mhy n THR 43 Ca -0.17 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.46 3mhy n THR 43 Cb 0.54 -0.78 -0.07 0.00 -1.55 0.00 0.00 70.33 68.47 3mhy n THR 43 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3mhy s VAL 53 N -1.96 5.41 0.13 1.08 1.01 -1.26 -5.20 120.40 119.60 3mhy s VAL 53 Ca 0.00 0.30 0.07 0.00 0.00 0.00 0.00 61.98 62.35 3mhy s VAL 53 Cb 0.00 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 3mhy s VAL 53 CO 0.00 0.52 -0.16 -0.44 0.00 0.00 0.00 175.10 175.02 3mhy s SER 54 N -0.35 2.25 -0.03 3.32 0.01 -1.06 -5.04 113.70 112.81 3mhy s SER 54 Ca 0.13 -0.78 -0.11 0.00 1.31 0.00 0.00 55.95 56.50 3mhy s SER 54 Cb -0.12 -0.10 -0.05 0.00 0.21 0.00 0.00 66.02 65.95 3mhy s SER 54 CO 0.03 -0.07 0.32 -0.36 0.41 0.00 0.00 173.24 173.56 3mhy s PHE 55 N -1.86 3.66 0.04 2.43 0.08 -1.26 -3.97 117.98 117.10 3mhy s PHE 55 Ca 0.09 0.80 0.09 0.00 0.12 0.00 0.00 56.93 58.03 3mhy s PHE 55 Cb -0.07 -2.15 -0.03 0.00 -0.57 0.00 0.00 43.02 40.21 3mhy s PHE 55 CO 0.04 0.66 -0.26 -0.51 -0.10 0.00 0.00 175.22 175.05 3mhy s LEU 56 N -1.21 2.15 0.26 -0.37 1.43 -0.18 -4.83 118.68 115.94 3mhy s LEU 56 Ca 0.22 -0.57 -0.30 0.00 -1.03 0.00 0.00 54.13 52.46 3mhy s LEU 56 Cb -0.15 -1.25 -0.10 0.00 0.03 0.00 0.00 46.19 44.72 3mhy s LEU 56 CO 0.11 0.25 1.39 -2.84 0.23 0.00 0.00 176.35 175.49 3mhy s PRO 57 N -1.16 4.31 0.22 1.29 0.02 -1.26 -1.17 135.00 137.24 3mhy s PRO 57 Ca 0.11 2.24 -0.01 0.00 0.02 0.00 0.00 61.00 63.36 3mhy s PRO 57 Cb -0.10 -3.11 -0.04 0.00 0.02 0.00 0.00 34.50 31.28 3mhy s PRO 57 CO 0.02 -0.34 0.18 0.15 -0.33 0.00 0.00 177.00 176.68 3mhy s LYS 58 N -0.71 1.30 -0.09 5.54 -0.14 -0.37 -4.56 119.74 120.70 3mhy s LYS 58 Ca 0.56 -1.64 0.03 0.00 -1.36 0.00 0.00 55.97 53.56 3mhy s LYS 58 Cb -0.41 0.29 -0.01 0.00 -1.68 0.00 0.00 37.83 36.03 3mhy s LYS 58 CO 0.45 -0.44 -0.18 0.08 -0.76 0.00 0.00 175.35 174.49 3mhy s VAL 59 N -4.06 2.61 -0.25 3.17 1.01 -0.47 -1.98 120.40 120.43 3mhy s VAL 59 Ca 0.38 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 61.36 3mhy s VAL 59 Cb 0.06 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 3mhy s VAL 59 CO 0.14 0.55 0.38 -0.75 0.00 0.00 0.00 175.10 175.42 3mhy s LYS 60 N 0.04 4.05 -0.13 2.72 2.20 0.02 -0.95 119.74 127.69 3mhy s LYS 60 Ca -0.07 0.08 -0.04 0.00 -0.36 0.00 0.00 55.97 55.58 3mhy s LYS 60 Cb -0.15 -3.63 -0.04 0.00 -1.51 0.00 0.00 37.83 32.51 3mhy s LYS 60 CO 0.05 -0.22 0.03 0.08 -0.36 0.00 0.00 175.35 174.93 3mhy s VAL 61 N 1.90 4.54 -0.09 4.02 1.01 0.68 -0.83 120.40 131.63 3mhy s VAL 61 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.00 3mhy s VAL 61 Cb -0.15 -2.97 0.02 0.00 0.00 0.00 0.00 36.38 33.28 3mhy s VAL 61 CO 0.09 0.55 -0.07 -1.61 0.00 0.00 0.00 175.10 174.07 3mhy s GLU 62 N -0.38 1.31 -0.12 2.72 2.02 0.47 -0.61 118.70 124.12 3mhy s GLU 62 Ca 0.08 -0.20 -0.00 0.00 0.02 0.00 0.00 54.97 54.87 3mhy s GLU 62 Cb -0.12 -1.34 0.02 0.00 0.10 0.00 0.00 34.13 32.79 3mhy s GLU 62 CO 0.02 -0.19 -0.09 0.08 0.02 0.00 0.00 175.26 175.10 3mhy s VAL 63 N 1.42 1.14 -0.17 2.63 1.01 -0.09 -1.60 120.40 124.74 3mhy s VAL 63 Ca -0.01 -0.36 -0.20 0.00 0.00 0.00 0.00 61.98 61.41 3mhy s VAL 63 Cb -0.13 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 3mhy s VAL 63 CO -0.04 0.38 0.56 0.00 0.00 0.00 0.00 175.10 176.01 3mhy s ALA 64 N 1.60 3.51 0.08 5.51 0.00 -1.26 -0.55 121.76 130.65 3mhy s ALA 64 Ca 0.04 -0.27 -0.03 0.00 0.00 0.00 0.00 51.96 51.70 3mhy s ALA 64 Cb -0.13 -2.85 -0.03 0.00 0.00 0.00 0.00 23.12 20.11 3mhy s ALA 64 CO -0.08 -0.36 0.04 0.14 0.00 0.00 0.00 175.76 175.49 3mhy s VAL 65 N 1.46 0.18 0.66 0.00 -7.23 -0.14 -4.93 120.40 110.40 3mhy s VAL 65 Ca 0.27 -1.72 -0.09 0.00 -1.81 0.00 0.00 61.98 58.63 3mhy s VAL 65 Cb -0.16 -1.62 0.01 0.00 0.56 0.00 0.00 36.38 35.18 3mhy s VAL 65 CO 0.11 -0.80 1.02 -0.94 -0.31 0.00 0.00 175.10 174.17 3mhy s SER 66 N -2.94 5.51 0.47 4.85 1.04 -1.26 -0.82 113.70 120.55 3mhy s SER 66 Ca 0.11 0.97 0.14 0.00 0.48 0.00 0.00 55.95 57.65 3mhy s SER 66 Cb 0.07 -1.84 1.08 0.00 0.10 0.00 0.00 66.02 65.42 3mhy s SER 66 CO -0.07 -1.22 2.05 -2.24 0.98 0.00 0.00 173.24 172.73 3mhy h ASP 67 N -0.46 0.04 -0.02 7.02 3.04 -1.96 -1.50 116.42 122.57 3mhy h ASP 67 Ca -0.45 -0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.33 3mhy h ASP 67 Cb 1.25 -0.01 0.00 0.00 -1.04 0.00 0.00 39.33 39.53 3mhy h ASP 67 CO 0.63 0.14 0.00 -0.90 -2.04 0.00 0.00 179.24 177.06 3mhy n ASP 68 N -4.41 0.69 0.00 4.15 5.75 -1.26 -3.72 116.55 117.76 3mhy n ASP 68 Ca -0.02 -1.30 0.00 0.00 -0.01 0.00 0.00 54.79 53.46 3mhy n ASP 68 Cb 0.18 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 3mhy n ASP 68 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3mhy n GLN 69 N -0.43 3.57 0.10 0.11 10.64 -0.62 -4.83 117.38 125.92 3mhy n GLN 69 Ca 0.20 -0.08 -0.02 0.00 -1.83 0.00 0.00 57.00 55.27 3mhy n GLN 69 Cb 0.21 -0.45 0.21 0.00 -0.86 0.00 0.00 30.24 29.35 3mhy n GLN 69 CO 0.00 0.00 0.00 0.10 -1.83 0.00 0.00 177.06 175.33 3mhy h TYR 70 N 0.00 0.26 -0.60 2.61 -0.00 -1.49 -2.05 116.97 115.70 3mhy h TYR 70 Ca 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 58.73 58.57 3mhy h TYR 70 Cb 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 36.73 36.69 3mhy h TYR 70 CO 0.00 0.63 0.03 0.93 -0.00 0.00 0.00 178.16 179.74 3mhy h GLU 71 N 0.18 1.02 -0.64 0.10 5.08 -1.88 0.49 114.58 118.93 3mhy h GLU 71 Ca 0.01 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 58.01 3mhy h GLU 71 Cb 0.86 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 3mhy h GLU 71 CO 0.07 0.98 0.12 1.96 -1.00 0.00 0.00 179.01 181.14 3mhy h GLN 72 N 0.94 1.03 -0.24 2.33 7.50 -1.82 -1.84 115.11 123.00 3mhy h GLN 72 Ca 0.17 -0.25 -0.05 0.00 0.50 0.00 0.00 58.65 59.03 3mhy h GLN 72 Cb 0.51 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 27.90 3mhy h GLN 72 CO 0.02 0.93 -0.04 0.28 -1.50 0.00 0.00 178.83 178.53 3mhy h VAL 73 N 0.97 1.27 -0.39 -0.54 2.07 -0.92 -0.94 116.25 117.78 3mhy h VAL 73 Ca 0.20 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.73 3mhy h VAL 73 Cb 0.39 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 3mhy h VAL 73 CO 0.01 0.31 0.22 0.58 0.02 0.00 0.00 177.57 178.71 3mhy h VAL 74 N 0.21 1.02 -0.69 2.57 2.07 -0.81 -1.32 116.25 119.29 3mhy h VAL 74 Ca 0.06 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 3mhy h VAL 74 Cb 0.48 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3mhy h VAL 74 CO 0.02 0.08 0.23 -0.08 0.02 0.00 0.00 177.57 177.84 3mhy h GLU 75 N 0.44 1.06 -0.56 1.57 4.81 -1.25 -0.77 114.58 119.88 3mhy h GLU 75 Ca 0.16 -0.21 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 3mhy h GLU 75 Cb 0.02 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 3mhy h GLU 75 CO -0.08 0.90 -0.03 0.00 -0.73 0.00 0.00 179.01 179.07 3mhy h ALA 76 N 1.22 0.76 -0.38 2.92 0.00 -0.79 -1.68 119.26 121.31 3mhy h ALA 76 Ca 0.23 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3mhy h ALA 76 Cb 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3mhy h ALA 76 CO -0.01 0.61 -0.12 0.82 0.00 0.00 0.00 179.25 180.55 3mhy h ILE 77 N 0.89 1.28 -0.42 0.00 2.04 -1.01 -1.44 117.51 118.85 3mhy h ILE 77 Ca 0.16 -1.22 0.03 0.00 1.00 0.00 0.00 64.86 64.83 3mhy h ILE 77 Cb 0.58 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 3mhy h ILE 77 CO 0.03 0.41 0.21 -0.61 0.00 0.00 0.00 178.15 178.19 3mhy h GLN 78 N 0.55 0.41 -0.29 2.37 4.15 -0.94 0.67 115.11 122.02 3mhy h GLN 78 Ca 0.09 -0.02 -0.18 0.00 0.77 0.00 0.00 58.65 59.30 3mhy h GLN 78 Cb 0.65 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.25 3mhy h GLN 78 CO 0.04 0.27 -0.53 0.87 -1.93 0.00 0.00 178.83 177.55 3mhy h LYS 79 N 0.42 0.87 -0.05 1.69 6.56 -1.29 -2.82 116.57 121.95 3mhy h LYS 79 Ca 0.18 -0.55 -0.13 0.00 -1.06 0.00 0.00 60.65 59.09 3mhy h LYS 79 Cb 0.09 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 31.80 3mhy h LYS 79 CO -0.13 1.19 -0.56 0.00 -2.06 0.00 0.00 179.45 177.88 3mhy h ALA 80 N 0.68 0.96 0.00 3.86 0.00 -0.93 -3.23 119.26 120.59 3mhy h ALA 80 Ca 0.02 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3mhy h ALA 80 Cb 1.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3mhy h ALA 80 CO 0.12 0.70 -0.81 0.00 0.00 0.00 0.00 179.25 179.26 3mhy n ALA 81 N -2.46 3.90 -1.78 0.00 0.00 0.20 -4.60 120.51 115.78 3mhy n ALA 81 Ca -0.02 -0.45 -0.38 0.00 0.00 0.00 0.00 53.44 52.60 3mhy n ALA 81 Cb 0.58 -0.96 -0.05 0.00 0.00 0.00 0.00 19.45 19.02 3mhy n ALA 81 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3mhy s ASN 82 N -3.26 7.09 0.00 0.00 3.84 -1.07 -4.86 114.94 116.68 3mhy s ASN 82 Ca 0.08 2.01 0.00 0.00 0.21 0.00 0.00 52.86 55.16 3mhy s ASN 82 Cb 0.16 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 38.27 3mhy s ASN 82 CO 0.78 -0.25 0.00 0.35 -2.79 0.00 0.00 177.10 175.19 3mhy n THR 83 N 0.45 0.00 -0.59 -5.21 -2.24 -1.26 -5.02 114.28 100.41 3mhy n THR 83 Ca 0.02 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3mhy n THR 83 Cb 0.49 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 3mhy n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mhy n GLY 84 N 0.41 0.77 3.74 3.38 0.00 -1.26 -5.05 105.19 107.18 3mhy n GLY 84 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3mhy n GLY 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mhy s ARG 85 N -0.41 2.70 0.47 1.61 3.00 -1.26 -5.08 118.95 119.98 3mhy s ARG 85 Ca 0.00 -0.86 -0.23 0.00 0.00 0.00 0.00 55.73 54.64 3mhy s ARG 85 Cb 0.00 -2.58 -0.08 0.00 0.00 0.00 0.00 34.95 32.28 3mhy s ARG 85 CO 0.00 0.52 1.14 0.44 0.00 0.00 0.00 175.30 177.40 3mhy n ILE 86 N 0.17 2.90 -0.24 1.52 -5.35 -1.26 -2.99 119.36 114.11 3mhy n ILE 86 Ca -0.09 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.89 3mhy n ILE 86 Cb 0.53 -1.37 0.00 0.00 -1.74 0.00 0.00 39.64 37.06 3mhy n ILE 86 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mhy n GLY 87 N 1.01 0.69 0.32 3.28 0.00 -1.26 -4.95 105.19 104.29 3mhy n GLY 87 Ca 0.09 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.25 3mhy n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3mhy h ASP 88 N 0.00 0.00 -4.73 1.61 3.32 -1.87 -3.40 116.42 111.35 3mhy h ASP 88 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3mhy h ASP 88 Cb 0.00 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3mhy h ASP 88 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 3mhy n GLY 89 N -1.59 0.47 3.00 2.75 0.00 -1.26 -4.22 105.19 104.33 3mhy n GLY 89 Ca 0.03 -2.20 -0.12 0.00 0.00 0.00 0.00 46.02 43.73 3mhy n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mhy s LYS 90 N -0.59 0.39 -0.15 1.61 -0.14 -1.00 -4.98 119.74 114.87 3mhy s LYS 90 Ca 0.00 -0.53 0.01 0.00 -1.36 0.00 0.00 55.97 54.09 3mhy s LYS 90 Cb 0.00 -0.17 -0.00 0.00 -1.68 0.00 0.00 37.83 35.98 3mhy s LYS 90 CO 0.00 0.03 -0.16 0.42 -0.76 0.00 0.00 175.35 174.88 3mhy s ILE 91 N -1.02 2.59 -0.12 2.17 1.01 -1.26 -1.00 121.20 123.57 3mhy s ILE 91 Ca -0.08 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.80 3mhy s ILE 91 Cb -0.07 -2.08 0.00 0.00 0.01 0.00 0.00 42.46 40.31 3mhy s ILE 91 CO -0.00 0.52 -0.22 -0.36 0.00 0.00 0.00 174.94 174.88 3mhy s PHE 92 N 0.82 2.63 -0.24 3.97 0.08 0.11 -4.99 117.98 120.36 3mhy s PHE 92 Ca -0.05 -1.09 -0.08 0.00 0.12 0.00 0.00 56.93 55.83 3mhy s PHE 92 Cb -0.15 -1.76 -0.03 0.00 -0.57 0.00 0.00 43.02 40.50 3mhy s PHE 92 CO -0.00 -0.46 0.08 0.08 -0.10 0.00 0.00 175.22 174.82 3mhy s VAL 93 N 0.50 4.47 0.31 -0.44 1.01 -1.26 -0.91 120.40 124.08 3mhy s VAL 93 Ca -0.14 -0.12 0.09 0.00 0.00 0.00 0.00 61.98 61.80 3mhy s VAL 93 Cb -0.17 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 3mhy s VAL 93 CO 0.05 0.35 0.08 -0.76 0.00 0.00 0.00 175.10 174.83 3mhy s LEU 94 N 1.40 3.25 0.04 3.92 1.02 -0.09 -4.96 118.68 123.26 3mhy s LEU 94 Ca 0.05 -0.71 -0.14 0.00 0.02 0.00 0.00 54.13 53.36 3mhy s LEU 94 Cb -0.15 -1.74 -0.06 0.00 0.02 0.00 0.00 46.19 44.26 3mhy s LEU 94 CO 0.04 -0.17 0.43 -1.81 0.02 0.00 0.00 176.35 174.86 3mhy s ASP 95 N -3.77 6.79 -0.21 2.29 1.01 -1.26 -0.11 116.67 121.40 3mhy s ASP 95 Ca 0.35 0.96 -0.05 0.00 0.71 0.00 0.00 52.55 54.51 3mhy s ASP 95 Cb -0.04 -2.24 -0.02 0.00 1.01 0.00 0.00 42.92 41.62 3mhy s ASP 95 CO 0.22 0.26 0.00 -0.63 0.21 0.00 0.00 175.17 175.23 3mhy s ILE 96 N -1.20 3.87 0.08 0.77 1.01 -0.25 -4.72 121.20 120.75 3mhy s ILE 96 Ca 0.28 -0.34 -0.09 0.00 0.00 0.00 0.00 60.65 60.50 3mhy s ILE 96 Cb -0.16 -2.76 -0.27 0.00 0.01 0.00 0.00 42.46 39.28 3mhy s ILE 96 CO 0.15 0.41 1.15 0.00 0.00 0.00 0.00 174.94 176.65 3mhy h ALA 97 N 7.77 0.09 -2.40 9.38 0.00 -1.98 -3.36 119.26 128.76 3mhy h ALA 97 Ca -0.38 -0.80 -0.08 0.00 0.00 0.00 0.00 54.91 53.65 3mhy h ALA 97 Cb 1.17 0.06 -0.18 0.00 0.00 0.00 0.00 17.79 18.84 3mhy h ALA 97 CO 0.60 0.81 -0.04 -1.14 0.00 0.00 0.00 179.25 179.47 3mhy s GLN 98 N -2.90 0.92 0.02 0.00 -0.44 -1.26 -5.01 119.66 110.99 3mhy s GLN 98 Ca -0.07 -0.15 -0.03 0.00 -2.50 0.00 0.00 55.36 52.61 3mhy s GLN 98 Cb 0.07 0.42 -0.01 0.00 -1.64 0.00 0.00 33.01 31.84 3mhy s GLN 98 CO 0.91 -0.30 0.04 0.00 0.50 0.00 0.00 175.29 176.43 3mhy s ALA 99 N -1.90 -0.02 -0.07 1.58 0.00 -1.26 -4.93 121.76 115.16 3mhy s ALA 99 Ca -0.09 -0.47 -0.03 0.00 0.00 0.00 0.00 51.96 51.37 3mhy s ALA 99 Cb -0.02 0.16 0.04 0.00 0.00 0.00 0.00 23.12 23.30 3mhy s ALA 99 CO 0.02 -0.21 0.15 0.08 0.00 0.00 0.00 175.76 175.81 3mhy s VAL 100 N -1.71 -0.04 -0.30 0.00 1.01 -1.26 -0.22 120.40 117.88 3mhy s VAL 100 Ca -0.13 0.16 -0.25 0.00 0.00 0.00 0.00 61.98 61.75 3mhy s VAL 100 Cb -0.07 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.07 3mhy s VAL 100 CO -0.01 0.06 0.88 -0.60 0.00 0.00 0.00 175.10 175.43 3mhy s ARG 101 N 1.05 4.02 0.22 2.72 3.52 -0.21 -4.97 118.95 125.30 3mhy s ARG 101 Ca -0.08 0.78 -0.08 0.00 -0.13 0.00 0.00 55.73 56.22 3mhy s ARG 101 Cb -0.10 -3.72 0.19 0.00 -1.56 0.00 0.00 34.95 29.76 3mhy s ARG 101 CO -0.05 -0.72 1.84 0.82 -0.81 0.00 0.00 175.30 176.38 3mhy h ILE 102 N 5.61 1.25 -0.29 4.11 2.04 -1.96 0.73 117.51 129.00 3mhy h ILE 102 Ca -0.23 -0.64 -0.10 0.00 1.00 0.00 0.00 64.86 64.89 3mhy h ILE 102 Cb 1.08 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3mhy h ILE 102 CO 0.93 0.29 -0.24 -0.09 0.00 0.00 0.00 178.15 179.03 3mhy h ARG 103 N 1.20 0.56 0.00 2.37 2.43 -1.98 -3.33 114.38 115.63 3mhy h ARG 103 Ca 0.30 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3mhy h ARG 103 Cb 0.05 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3mhy h ARG 103 CO -0.05 0.76 -1.42 0.25 -1.51 0.00 0.00 179.97 178.00 3mhy n THR 104 N -4.12 0.00 -0.98 0.20 -2.24 -1.12 -5.00 114.28 101.03 3mhy n THR 104 Ca -0.00 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 3mhy n THR 104 Cb 0.41 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 3mhy n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mhy n GLY 105 N 1.87 0.67 3.76 3.38 0.00 0.23 -5.01 105.19 110.09 3mhy n GLY 105 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3mhy n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mhy s GLU 106 N -0.13 3.63 0.22 1.61 2.02 -1.24 -4.78 118.70 120.02 3mhy s GLU 106 Ca 0.00 2.16 0.10 0.00 0.02 0.00 0.00 54.97 57.25 3mhy s GLU 106 Cb 0.00 -2.53 -0.05 0.00 0.10 0.00 0.00 34.13 31.66 3mhy s GLU 106 CO 0.00 -0.77 -0.19 0.95 0.02 0.00 0.00 175.26 175.27 3mhy s THR 107 N -1.31 2.13 0.00 3.63 -4.23 -1.26 -1.05 115.64 113.55 3mhy s THR 107 Ca 0.63 -2.17 0.00 0.00 -1.18 0.00 0.00 61.69 58.97 3mhy s THR 107 Cb -0.38 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.37 3mhy s THR 107 CO 0.47 -0.37 0.00 0.59 -0.54 0.00 0.00 174.62 174.78 3mhy n ASN 108 N -0.16 0.00 0.26 3.99 3.02 0.69 -2.18 115.26 120.87 3mhy n ASN 108 Ca -0.09 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.58 3mhy n ASN 108 Cb 0.59 0.00 0.69 0.00 -0.61 0.00 0.00 39.78 40.45 3mhy n ASN 108 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3mhy h THR 109 N 0.00 0.54 0.00 3.41 1.35 -1.97 -0.02 112.91 116.22 3mhy h THR 109 Ca 0.00 -0.61 -0.01 0.00 -0.55 0.00 0.00 66.41 65.24 3mhy h THR 109 Cb 0.00 1.41 -0.00 0.00 -1.73 0.00 0.00 68.15 67.83 3mhy h THR 109 CO 0.00 0.13 -0.02 -0.33 -0.25 0.00 0.00 175.52 175.05 3mhy h GLU 110 N 0.00 0.00 0.00 4.72 5.08 -1.81 -3.20 114.58 119.37 3mhy h GLU 110 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mhy h GLU 110 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3mhy h GLU 110 CO 0.02 0.02 -0.48 0.00 -1.00 0.00 0.00 179.01 177.57 3mhy h ALA 111 N 1.98 0.74 0.00 3.43 0.00 -1.00 -3.45 119.26 120.95 3mhy h ALA 111 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3mhy h ALA 111 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3mhy h ALA 111 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53