#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tap s ASN 2 N 0.00 7.02 -1.20 2.98 -0.87 -1.26 -4.97 114.94 116.65 1tap s ASN 2 Ca 0.00 1.23 -0.21 0.00 -1.57 0.00 0.00 52.86 52.31 1tap s ASN 2 Cb 0.00 -2.43 -0.01 0.00 -0.02 0.00 0.00 41.25 38.80 1tap s ASN 2 CO 0.00 -0.13 1.81 -0.60 -2.57 0.00 0.00 177.10 175.61 1tap s ARG 3 N 0.80 3.23 0.01 -0.60 3.52 -1.26 -4.36 118.95 120.29 1tap s ARG 3 Ca 0.39 -1.44 -0.01 0.00 -0.13 0.00 0.00 55.73 54.53 1tap s ARG 3 Cb -0.18 -5.36 -0.00 0.00 -1.56 0.00 0.00 34.95 27.84 1tap s ARG 3 CO 0.19 -3.05 -0.02 1.28 -0.81 0.00 0.00 175.30 172.89 1tap n LEU 4 N 11.33 0.41 -0.31 -0.88 4.77 -1.26 -4.82 117.00 126.24 1tap n LEU 4 Ca 0.45 0.06 0.03 0.00 -0.03 0.00 0.00 56.01 56.52 1tap n LEU 4 Cb 0.47 -0.20 0.10 0.00 -2.33 0.00 0.00 43.42 41.46 1tap n LEU 4 CO 0.71 -0.55 0.67 0.00 -1.33 0.00 0.00 177.39 176.89 1tap s ILE 6 N -6.22 4.65 -0.90 0.00 1.01 -1.26 -0.00 121.20 118.48 1tap s ILE 6 Ca -0.15 -0.51 -0.32 0.00 0.00 0.00 0.00 60.65 59.67 1tap s ILE 6 Cb 0.24 -4.49 -0.20 0.00 0.01 0.00 0.00 42.46 38.02 1tap s ILE 6 CO 0.76 -1.11 2.62 1.17 0.00 0.00 0.00 174.94 178.37 1tap n LYS 7 N 6.79 0.11 -2.13 2.79 4.81 -1.24 -4.80 118.16 124.48 1tap n LYS 7 Ca -0.06 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.07 1tap n LYS 7 Cb 0.45 -1.69 0.02 0.00 0.02 0.00 0.00 35.03 33.83 1tap n LYS 7 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1tap n PRO 8 N 8.45 3.16 0.00 1.64 -0.04 -1.26 -4.76 135.00 142.19 1tap n PRO 8 Ca 0.62 -4.03 0.00 0.00 -0.04 0.00 0.00 63.50 60.05 1tap n PRO 8 Cb 0.07 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 1tap n PRO 8 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1tap n ARG 9 N -0.57 0.00 -0.31 0.54 0.00 -1.26 -5.07 116.66 110.00 1tap n ARG 9 Ca 0.47 0.00 0.15 0.00 -0.00 0.00 0.00 57.85 58.47 1tap n ARG 9 Cb 0.56 0.00 0.32 0.00 0.00 0.00 0.00 32.46 33.33 1tap n ARG 9 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 1tap h ASP 10 N 0.00 -0.00 -5.73 6.15 3.58 -2.02 -3.46 116.42 114.93 1tap h ASP 10 Ca 0.00 0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1tap h ASP 10 Cb 0.00 0.28 -0.05 0.00 1.72 0.00 0.00 39.33 41.29 1tap h ASP 10 CO 0.00 -0.19 -0.70 1.87 -2.88 0.00 0.00 179.24 177.34 1tap n TRP 11 N -5.25 -1.77 -2.83 0.28 -0.00 -1.26 -4.84 117.44 101.77 1tap n TRP 11 Ca 0.23 1.00 -0.44 0.00 -0.00 0.00 0.00 57.50 58.30 1tap n TRP 11 Cb 0.74 -2.17 -0.00 0.00 -0.00 0.00 0.00 31.31 29.88 1tap n TRP 11 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 1tap s ILE 12 N -0.40 4.75 -0.63 5.87 1.01 -1.26 -4.95 121.20 125.58 1tap s ILE 12 Ca -0.10 -2.40 -0.26 0.00 0.00 0.00 0.00 60.65 57.89 1tap s ILE 12 Cb 0.01 -5.00 -0.11 0.00 0.01 0.00 0.00 42.46 37.37 1tap s ILE 12 CO 0.32 -1.75 2.43 0.47 0.00 0.00 0.00 174.94 176.41 1tap n ASP 13 N 6.51 1.92 -0.08 3.58 9.92 -1.26 -4.65 116.55 132.49 1tap n ASP 13 Ca 0.40 -0.79 -0.09 0.00 -0.53 0.00 0.00 54.79 53.78 1tap n ASP 13 Cb 0.44 -1.54 -0.10 0.00 -0.64 0.00 0.00 41.12 39.28 1tap n ASP 13 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1tap n GLU 14 N 8.81 1.19 -0.78 -1.24 1.02 -1.26 -5.05 120.64 123.31 1tap n GLU 14 Ca 0.43 0.04 -0.32 0.00 -0.02 0.00 0.00 57.16 57.29 1tap n GLU 14 Cb 0.47 -1.35 0.14 0.00 -0.02 0.00 0.00 31.44 30.67 1tap n GLU 14 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1tap n ASP 16 N -2.64 0.21 -4.49 0.00 -0.08 -1.26 -4.59 116.55 103.71 1tap n ASP 16 Ca 0.10 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 53.09 1tap n ASP 16 Cb 0.53 0.00 0.24 0.00 2.34 0.00 0.00 41.12 44.22 1tap n ASP 16 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1tap n SER 17 N 0.00 -1.49 0.00 1.67 3.41 -1.26 -3.81 113.62 112.15 1tap n SER 17 Ca 0.00 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1tap n SER 17 Cb 0.00 -1.27 0.00 0.00 -0.26 0.00 0.00 64.21 62.68 1tap n SER 17 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1tap n ASN 18 N -4.64 0.00 -4.68 4.04 4.05 -1.26 -4.95 115.26 107.82 1tap n ASN 18 Ca 0.04 0.00 -0.32 0.00 0.45 0.00 0.00 54.58 54.75 1tap n ASN 18 Cb 0.54 0.00 0.15 0.00 1.23 0.00 0.00 39.78 41.70 1tap n ASN 18 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 1tap s GLU 19 N 0.00 1.29 0.00 1.20 -6.30 -1.25 -4.93 118.70 108.72 1tap s GLU 19 Ca 0.00 1.65 0.32 0.00 -2.50 0.00 0.00 54.97 54.44 1tap s GLU 19 Cb 0.00 -1.75 1.80 0.00 0.00 0.00 0.00 34.13 34.19 1tap s GLU 19 CO 0.00 -2.45 2.18 0.41 0.02 0.00 0.00 175.26 175.42 1tap n GLY 20 N 0.35 -1.08 0.00 -1.50 0.00 -1.26 -4.85 105.19 96.85 1tap n GLY 20 Ca 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1tap n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tap n GLY 21 N 1.08 -3.17 3.11 -0.02 0.00 -1.26 -5.06 105.19 99.86 1tap n GLY 21 Ca 0.21 -1.31 -0.08 0.00 0.00 0.00 0.00 46.02 44.85 1tap n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tap s GLU 22 N -2.43 0.67 -0.03 1.61 2.12 -1.26 -4.94 118.70 114.43 1tap s GLU 22 Ca 0.00 -1.25 -0.23 0.00 0.36 0.00 0.00 54.97 53.85 1tap s GLU 22 Cb 0.00 0.12 -0.05 0.00 0.26 0.00 0.00 34.13 34.47 1tap s GLU 22 CO 0.00 -0.09 0.67 1.03 -0.54 0.00 0.00 175.26 176.33 1tap s ARG 23 N -3.91 4.41 0.13 4.30 0.52 -1.26 -1.09 118.95 122.06 1tap s ARG 23 Ca 0.09 0.85 0.06 0.00 -0.52 0.00 0.00 55.73 56.21 1tap s ARG 23 Cb 0.07 -3.40 -0.04 0.00 0.52 0.00 0.00 34.95 32.10 1tap s ARG 23 CO -0.09 0.20 0.02 0.00 0.02 0.00 0.00 175.30 175.45 1tap s ALA 24 N 0.34 3.28 -0.24 2.13 0.00 0.03 -4.81 121.76 122.50 1tap s ALA 24 Ca 0.35 -1.23 -0.06 0.00 0.00 0.00 0.00 51.96 51.02 1tap s ALA 24 Cb -0.18 -1.13 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 1tap s ALA 24 CO 0.18 0.59 0.04 0.71 0.00 0.00 0.00 175.76 177.28 1tap s TYR 25 N -1.53 3.06 0.19 0.00 2.02 -0.93 -0.34 117.35 119.81 1tap s TYR 25 Ca 0.27 -0.53 0.09 0.00 -0.37 0.00 0.00 57.07 56.54 1tap s TYR 25 Cb -0.10 -2.19 -0.04 0.00 -0.40 0.00 0.00 41.96 39.22 1tap s TYR 25 CO 0.19 -0.38 -0.19 -0.06 -1.57 0.00 0.00 175.55 173.54 1tap s PHE 26 N 1.50 1.95 0.00 2.71 0.40 -0.94 -4.58 117.98 119.03 1tap s PHE 26 Ca 0.06 -0.44 -0.30 0.00 -0.60 0.00 0.00 56.93 55.64 1tap s PHE 26 Cb -0.15 -0.95 -0.06 0.00 0.51 0.00 0.00 43.02 42.37 1tap s PHE 26 CO 0.02 0.41 1.49 0.50 0.70 0.00 0.00 175.22 178.33 1tap s ARG 27 N -2.92 4.25 0.85 0.44 3.00 0.99 -0.59 118.95 124.97 1tap s ARG 27 Ca 0.19 2.07 -0.11 0.00 -1.00 0.00 0.00 55.73 56.88 1tap s ARG 27 Cb -0.06 -3.64 0.10 0.00 0.00 0.00 0.00 34.95 31.35 1tap s ARG 27 CO 0.08 -0.66 1.10 0.54 0.00 0.00 0.00 175.30 176.37 1tap s ASN 28 N 2.20 3.75 0.00 -2.12 2.20 0.29 -4.64 114.94 116.63 1tap s ASN 28 Ca 0.67 1.83 0.00 0.00 -0.94 0.00 0.00 52.86 54.42 1tap s ASN 28 Cb -0.33 -2.45 0.00 0.00 -2.00 0.00 0.00 41.25 36.47 1tap s ASN 28 CO 0.28 -2.51 0.54 0.61 -2.94 0.00 0.00 177.10 173.07 1tap n GLY 29 N -0.76 0.03 0.00 0.45 0.00 -1.26 -4.12 105.19 99.53 1tap n GLY 29 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1tap n GLY 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1tap n LYS 30 N -0.22 0.00 -2.55 1.61 5.02 -1.26 -5.07 118.16 115.69 1tap n LYS 30 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 1tap n LYS 30 Cb 0.07 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.06 1tap n LYS 30 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1tap n GLY 31 N 4.15 -0.78 1.36 0.72 0.00 -1.26 -5.15 105.19 104.23 1tap n GLY 31 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 1tap n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tap n GLY 32 N -0.48 2.17 3.65 -0.02 0.00 -1.26 -5.05 105.19 104.20 1tap n GLY 32 Ca -0.26 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.15 1tap n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tap s ASP 34 N -1.48 4.70 -0.66 0.00 2.15 0.24 -4.73 116.67 116.89 1tap s ASP 34 Ca 0.18 -0.11 -0.26 0.00 0.43 0.00 0.00 52.55 52.79 1tap s ASP 34 Cb -0.11 -1.13 -0.03 0.00 -0.30 0.00 0.00 42.92 41.35 1tap s ASP 34 CO 0.09 0.29 1.90 -0.94 -0.17 0.00 0.00 175.17 176.34 1tap s SER 35 N -1.37 5.20 0.33 -0.34 1.04 -1.26 -2.21 113.70 115.08 1tap s SER 35 Ca 0.17 0.18 -0.28 0.00 0.48 0.00 0.00 55.95 56.50 1tap s SER 35 Cb -0.11 -2.53 -0.09 0.00 0.10 0.00 0.00 66.02 63.38 1tap s SER 35 CO 0.07 -2.48 1.14 -0.36 0.98 0.00 0.00 173.24 172.60 1tap s PHE 36 N 9.43 3.35 -0.33 5.02 0.08 0.54 -4.93 117.98 131.15 1tap s PHE 36 Ca 0.69 1.62 -0.06 0.00 0.12 0.00 0.00 56.93 59.30 1tap s PHE 36 Cb -0.12 -3.35 0.04 0.00 -0.57 0.00 0.00 43.02 39.02 1tap s PHE 36 CO 0.17 -0.93 0.09 -1.58 -0.10 0.00 0.00 175.22 172.86 1tap s TRP 37 N -1.27 3.24 -0.55 0.36 0.52 -1.26 -0.79 118.94 119.18 1tap s TRP 37 Ca 0.49 -1.41 -0.27 0.00 0.02 0.00 0.00 56.10 54.93 1tap s TRP 37 Cb -0.32 -2.25 -0.03 0.00 -1.15 0.00 0.00 33.47 29.72 1tap s TRP 37 CO 0.41 -0.72 1.98 0.42 0.02 0.00 0.00 176.95 179.06 1tap s ILE 38 N 1.40 3.29 0.38 2.03 1.01 -0.25 -4.59 121.20 124.47 1tap s ILE 38 Ca -0.01 0.19 -0.28 0.00 0.00 0.00 0.00 60.65 60.54 1tap s ILE 38 Cb -0.19 -3.70 -0.11 0.00 0.01 0.00 0.00 42.46 38.47 1tap s ILE 38 CO 0.02 -0.66 1.49 0.00 0.00 0.00 0.00 174.94 175.79 1tap h PRO 40 N 2.95 0.00 -0.98 0.00 0.13 -1.95 -3.02 132.00 129.13 1tap h PRO 40 Ca -0.51 0.00 0.33 0.00 -0.87 0.00 0.00 66.00 64.96 1tap h PRO 40 Cb 1.24 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.20 1tap h PRO 40 CO 0.64 0.00 0.37 0.93 -0.23 0.00 0.00 178.00 179.71 1tap h GLU 41 N 0.00 0.10 -3.42 0.86 4.39 -1.97 -3.39 114.58 111.14 1tap h GLU 41 Ca 0.00 -0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 1tap h GLU 41 Cb 0.10 -0.02 -0.20 0.00 -0.10 0.00 0.00 28.75 28.52 1tap h GLU 41 CO 0.00 0.07 -0.45 -0.51 -1.16 0.00 0.00 179.01 176.96 1tap s ASP 42 N -4.81 -0.01 -0.02 1.42 1.01 -1.14 -5.03 116.67 108.08 1tap s ASP 42 Ca -0.11 -0.16 0.13 0.00 0.71 0.00 0.00 52.55 53.12 1tap s ASP 42 Cb 0.31 0.22 -0.20 0.00 1.01 0.00 0.00 42.92 44.26 1tap s ASP 42 CO 0.78 -0.39 0.28 1.41 0.21 0.00 0.00 175.17 177.46 1tap n HIS 43 N 1.40 0.00 -4.10 4.23 8.25 -1.26 -4.60 115.22 119.13 1tap n HIS 43 Ca -0.23 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 56.90 1tap n HIS 43 Cb 0.56 -0.30 -0.01 0.00 1.12 0.00 0.00 29.99 31.35 1tap n HIS 43 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1tap n THR 44 N -1.96 -1.60 -3.99 1.59 5.66 -1.26 -0.55 114.28 112.18 1tap n THR 44 Ca -0.03 -0.07 -0.32 0.00 -3.05 0.00 0.00 64.05 60.58 1tap n THR 44 Cb 0.35 -2.15 -0.07 0.00 -1.55 0.00 0.00 70.33 66.91 1tap n THR 44 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1tap n GLY 45 N -1.55 -0.26 3.42 1.09 0.00 -1.26 -4.75 105.19 101.88 1tap n GLY 45 Ca 0.02 0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1tap n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tap n ALA 46 N -3.56 3.94 -0.83 4.61 0.00 0.29 -4.82 120.51 120.14 1tap n ALA 46 Ca -0.02 -3.95 -0.21 0.00 0.00 0.00 0.00 53.44 49.26 1tap n ALA 46 Cb 0.43 -3.47 -0.05 0.00 0.00 0.00 0.00 19.45 16.36 1tap n ALA 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1tap n ASP 47 N 7.40 5.28 -4.67 0.00 2.03 -1.26 -4.94 116.55 120.40 1tap n ASP 47 Ca 0.47 -2.32 -0.29 0.00 0.52 0.00 0.00 54.79 53.16 1tap n ASP 47 Cb 0.44 -1.15 0.17 0.00 -0.72 0.00 0.00 41.12 39.86 1tap n ASP 47 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1tap s TYR 48 N 2.65 2.07 -0.39 -0.67 -0.85 -1.26 -4.92 117.35 113.97 1tap s TYR 48 Ca 0.47 1.21 -0.28 0.00 -0.52 0.00 0.00 57.07 57.96 1tap s TYR 48 Cb 0.15 -3.19 -0.07 0.00 0.38 0.00 0.00 41.96 39.23 1tap s TYR 48 CO -0.03 -2.78 2.34 0.66 -1.52 0.00 0.00 175.55 174.22 1tap n TYR 49 N -4.14 1.62 0.08 -3.49 4.01 -1.26 -4.83 117.16 109.16 1tap n TYR 49 Ca 0.06 0.04 -0.08 0.00 -0.16 0.00 0.00 57.90 57.76 1tap n TYR 49 Cb 0.55 -2.66 -0.04 0.00 -0.31 0.00 0.00 39.34 36.88 1tap n TYR 49 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1tap h SER 50 N 17.14 0.17 -2.95 7.72 4.64 -1.91 -2.46 113.55 135.89 1tap h SER 50 Ca -0.30 -0.15 -0.62 0.00 -0.47 0.00 0.00 61.79 60.24 1tap h SER 50 Cb 1.26 -0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 63.24 1tap h SER 50 CO 1.08 1.02 -0.25 -0.94 -0.87 0.00 0.00 176.83 176.86 1tap s SER 51 N -6.88 6.74 0.18 4.97 1.04 -1.26 -4.70 113.70 113.78 1tap s SER 51 Ca -0.02 0.88 -0.18 0.00 0.48 0.00 0.00 55.95 57.11 1tap s SER 51 Cb 0.10 -2.22 0.12 0.00 0.10 0.00 0.00 66.02 64.12 1tap s SER 51 CO 0.83 0.34 1.63 0.22 0.98 0.00 0.00 173.24 177.24 1tap h TYR 52 N 4.76 -0.48 -0.96 5.02 5.03 -1.94 -2.73 116.97 125.67 1tap h TYR 52 Ca -0.52 0.05 0.15 0.00 2.58 0.00 0.00 58.73 60.99 1tap h TYR 52 Cb 1.22 0.28 -0.09 0.00 1.55 0.00 0.00 36.73 39.69 1tap h TYR 52 CO 0.72 -0.28 0.57 -0.09 -1.32 0.00 0.00 178.16 177.76 1tap h ARG 53 N -0.11 0.79 0.36 1.82 2.43 -1.98 0.18 114.38 117.88 1tap h ARG 53 Ca 0.21 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1tap h ARG 53 Cb 0.43 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1tap h ARG 53 CO -0.51 0.52 -0.17 -0.44 -1.51 0.00 0.00 179.97 177.87 1tap h ASP 54 N 0.81 -0.41 -0.29 -3.80 5.19 -1.89 0.14 116.42 116.18 1tap h ASP 54 Ca 0.51 -0.06 0.06 0.00 -0.62 0.00 0.00 57.03 56.92 1tap h ASP 54 Cb 0.67 0.10 -0.05 0.00 0.18 0.00 0.00 39.33 40.23 1tap h ASP 54 CO -0.33 -0.20 -0.07 0.00 -3.12 0.00 0.00 179.24 175.53 1tap h PHE 56 N 0.01 -0.94 -0.62 0.00 3.57 -0.61 -0.58 116.94 117.77 1tap h PHE 56 Ca 0.14 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 1tap h PHE 56 Cb 0.21 0.39 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 1tap h PHE 56 CO -0.28 -0.46 0.21 -0.91 -2.23 0.00 0.00 178.31 174.64 1tap h ASN 57 N -0.62 0.85 0.02 0.41 2.35 -0.31 0.48 115.58 118.75 1tap h ASN 57 Ca 0.01 -0.13 -0.17 0.00 -0.55 0.00 0.00 56.30 55.46 1tap h ASN 57 Cb 0.62 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.76 1tap h ASN 57 CO -0.15 0.78 -0.58 0.00 -1.65 0.00 0.00 177.43 175.83 1tap h ALA 58 N 1.34 0.65 0.00 -0.83 0.00 -0.73 -3.37 119.26 116.32 1tap h ALA 58 Ca 0.21 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1tap h ALA 58 Cb 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1tap h ALA 58 CO -0.01 0.70 -0.51 0.00 0.00 0.00 0.00 179.25 179.42