#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tap n ASN 2 N 0.00 5.53 -4.77 2.98 4.13 -1.26 -4.81 115.26 117.05 1tap n ASN 2 Ca 0.00 -2.63 -0.38 0.00 1.68 0.00 0.00 54.58 53.25 1tap n ASN 2 Cb 0.00 -1.05 -0.05 0.00 -1.54 0.00 0.00 39.78 37.14 1tap n ASN 2 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 1tap s ARG 3 N -0.70 4.52 0.06 3.52 3.00 -1.26 -4.89 118.95 123.20 1tap s ARG 3 Ca 0.12 1.48 0.03 0.00 -1.00 0.00 0.00 55.73 56.36 1tap s ARG 3 Cb 0.09 -2.87 0.16 0.00 0.00 0.00 0.00 34.95 32.33 1tap s ARG 3 CO 0.00 0.19 0.95 1.28 0.00 0.00 0.00 175.30 177.73 1tap n LEU 4 N 0.64 0.07 0.17 -0.88 4.77 -1.26 -0.83 117.00 119.69 1tap n LEU 4 Ca 0.02 0.40 -0.08 0.00 -0.03 0.00 0.00 56.01 56.32 1tap n LEU 4 Cb 0.49 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 1tap n LEU 4 CO 0.47 -0.43 0.22 0.00 -1.33 0.00 0.00 177.39 176.32 1tap s ILE 6 N -3.22 2.26 -0.35 0.00 1.09 -0.01 -0.45 121.20 120.52 1tap s ILE 6 Ca -0.07 0.22 -0.28 0.00 -1.10 0.00 0.00 60.65 59.41 1tap s ILE 6 Cb 0.01 -3.14 -0.01 0.00 -1.06 0.00 0.00 42.46 38.25 1tap s ILE 6 CO 0.22 0.04 1.74 -0.75 -0.10 0.00 0.00 174.94 176.09 1tap s LYS 7 N -0.48 3.36 0.60 2.79 2.20 -1.26 -4.58 119.74 122.37 1tap s LYS 7 Ca 0.62 1.34 -0.14 0.00 -0.36 0.00 0.00 55.97 57.43 1tap s LYS 7 Cb -0.46 -4.18 -0.04 0.00 -1.51 0.00 0.00 37.83 31.65 1tap s LYS 7 CO 0.47 -1.83 1.04 -1.25 -0.36 0.00 0.00 175.35 173.41 1tap s PRO 8 N 5.57 3.42 0.00 4.03 0.04 -1.26 -4.86 135.00 141.94 1tap s PRO 8 Ca 0.77 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1tap s PRO 8 Cb -0.21 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1tap s PRO 8 CO 0.33 -0.72 0.00 -2.13 0.04 0.00 0.00 177.00 174.53 1tap n ARG 9 N -2.29 0.00 -0.43 4.56 3.00 -1.26 -4.80 116.66 115.44 1tap n ARG 9 Ca 0.08 0.46 0.36 0.00 -0.00 0.00 0.00 57.85 58.74 1tap n ARG 9 Cb 0.53 -0.51 0.64 0.00 0.00 0.00 0.00 32.46 33.12 1tap n ARG 9 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.63 178.01 1tap h ASP 10 N 0.00 0.26 -3.50 6.15 2.03 -2.03 -3.46 116.42 115.87 1tap h ASP 10 Ca 0.00 0.14 0.00 0.00 -0.73 0.00 0.00 57.03 56.44 1tap h ASP 10 Cb 0.00 0.13 0.00 0.00 -0.83 0.00 0.00 39.33 38.63 1tap h ASP 10 CO 0.00 -0.18 -0.18 1.87 -1.03 0.00 0.00 179.24 179.71 1tap n TRP 11 N -4.72 0.00 0.60 4.15 -0.00 -1.26 -4.75 117.44 111.45 1tap n TRP 11 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.87 1tap n TRP 11 Cb 1.40 -0.54 0.08 0.00 -0.00 0.00 0.00 31.31 32.25 1tap n TRP 11 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 177.69 179.20 1tap n ILE 12 N 1.52 0.73 -3.55 5.87 3.06 -1.26 -4.83 119.36 120.89 1tap n ILE 12 Ca 0.00 -0.31 -0.20 0.00 -2.50 0.00 0.00 62.75 59.75 1tap n ILE 12 Cb 0.09 -0.53 -0.06 0.00 0.54 0.00 0.00 39.64 39.68 1tap n ILE 12 CO 0.00 0.00 0.00 -0.90 -2.50 0.00 0.00 176.55 173.15 1tap n ASP 13 N 0.13 0.32 0.01 9.51 5.75 -1.26 -4.87 116.55 126.14 1tap n ASP 13 Ca 0.07 -0.76 -0.01 0.00 -0.01 0.00 0.00 54.79 54.07 1tap n ASP 13 Cb 0.50 -0.95 -0.01 0.00 -1.03 0.00 0.00 41.12 39.63 1tap n ASP 13 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1tap h GLU 14 N -0.65 -0.07 -6.77 0.11 4.11 -1.88 -3.45 114.58 105.97 1tap h GLU 14 Ca -0.39 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.51 1tap h GLU 14 Cb 0.84 0.02 0.21 0.00 0.50 0.00 0.00 28.75 30.32 1tap h GLU 14 CO 0.44 -0.05 -0.55 0.00 0.07 0.00 0.00 179.01 178.92 1tap n ASP 16 N -1.19 2.44 -4.75 0.00 8.00 -1.26 -4.29 116.55 115.50 1tap n ASP 16 Ca 0.07 -2.72 -0.38 0.00 0.71 0.00 0.00 54.79 52.47 1tap n ASP 16 Cb 0.53 -0.24 0.03 0.00 -0.02 0.00 0.00 41.12 41.42 1tap n ASP 16 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1tap s SER 17 N -4.44 5.50 -1.24 -2.24 0.15 -1.26 -2.58 113.70 107.59 1tap s SER 17 Ca 0.47 2.69 0.00 0.00 0.70 0.00 0.00 55.95 59.81 1tap s SER 17 Cb -0.04 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 1tap s SER 17 CO 0.30 -1.41 0.00 -3.20 1.20 0.00 0.00 173.24 170.13 1tap n ASN 18 N -0.84 -4.37 -3.66 5.45 2.85 -1.26 -4.99 115.26 108.44 1tap n ASN 18 Ca 0.09 0.27 -0.22 0.00 -0.11 0.00 0.00 54.58 54.61 1tap n ASN 18 Cb 0.45 -2.98 -0.18 0.00 1.24 0.00 0.00 39.78 38.31 1tap n ASN 18 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1tap s GLU 19 N -3.15 -0.00 0.00 1.20 2.12 -1.07 -4.97 118.70 112.83 1tap s GLU 19 Ca 0.00 0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.56 1tap s GLU 19 Cb 0.00 -0.93 0.00 0.00 0.26 0.00 0.00 34.13 33.46 1tap s GLU 19 CO 0.00 -0.43 0.00 0.41 -0.54 0.00 0.00 175.26 174.70 1tap n GLY 20 N 5.29 1.21 0.00 -1.50 0.00 -1.26 -4.35 105.19 104.58 1tap n GLY 20 Ca -0.04 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 0.00 2.36 3.18 -0.02 0.00 0.45 -4.76 105.19 106.39 1tap n GLY 21 Ca 0.00 -2.11 -0.28 0.00 0.00 0.00 0.00 46.02 43.64 1tap n GLY 21 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1tap n GLU 22 N -0.58 0.92 -2.24 1.61 1.02 -1.26 -4.22 120.64 115.88 1tap n GLU 22 Ca 0.00 -3.20 -0.36 0.00 -0.02 0.00 0.00 57.16 53.58 1tap n GLU 22 Cb 0.00 0.81 -0.00 0.00 -0.02 0.00 0.00 31.44 32.23 1tap n GLU 22 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1tap s ARG 23 N -3.63 3.49 0.05 3.49 3.52 -1.26 -2.47 118.95 122.14 1tap s ARG 23 Ca 0.03 1.70 -0.12 0.00 -0.13 0.00 0.00 55.73 57.20 1tap s ARG 23 Cb -0.00 -2.17 0.01 0.00 -1.56 0.00 0.00 34.95 31.24 1tap s ARG 23 CO 0.02 -0.75 0.27 0.00 -0.81 0.00 0.00 175.30 174.02 1tap s ALA 24 N -1.66 -0.57 -0.14 6.12 0.00 -0.81 -4.92 121.76 119.79 1tap s ALA 24 Ca 0.69 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.55 1tap s ALA 24 Cb -0.26 0.33 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1tap s ALA 24 CO 0.31 -0.41 -0.18 0.71 0.00 0.00 0.00 175.76 176.19 1tap s TYR 25 N -2.69 2.34 0.15 0.00 2.02 -0.65 -2.72 117.35 115.80 1tap s TYR 25 Ca -0.04 -1.21 -0.07 0.00 -0.37 0.00 0.00 57.07 55.38 1tap s TYR 25 Cb -0.00 -1.65 -0.02 0.00 -0.40 0.00 0.00 41.96 39.89 1tap s TYR 25 CO -0.04 -0.60 0.21 -0.06 -1.57 0.00 0.00 175.55 173.49 1tap s PHE 26 N 1.07 0.50 0.48 2.71 0.40 -1.09 -3.62 117.98 118.44 1tap s PHE 26 Ca -0.03 -0.88 -0.24 0.00 -0.60 0.00 0.00 56.93 55.19 1tap s PHE 26 Cb -0.14 -0.17 -0.07 0.00 0.51 0.00 0.00 43.02 43.15 1tap s PHE 26 CO -0.05 -0.65 1.36 0.50 0.70 0.00 0.00 175.22 177.08 1tap s ARG 27 N -3.98 3.51 0.36 0.44 3.52 0.40 -0.08 118.95 123.12 1tap s ARG 27 Ca 0.18 2.25 0.08 0.00 -0.13 0.00 0.00 55.73 58.11 1tap s ARG 27 Cb 0.05 -2.48 -0.06 0.00 -1.56 0.00 0.00 34.95 30.89 1tap s ARG 27 CO -0.00 -0.90 0.03 0.54 -0.81 0.00 0.00 175.30 174.16 1tap s ASN 28 N -0.80 4.15 -0.10 -2.12 2.20 -0.45 -4.31 114.94 113.50 1tap s ASN 28 Ca 0.65 -1.07 0.18 0.00 -0.94 0.00 0.00 52.86 51.67 1tap s ASN 28 Cb -0.40 -0.49 0.67 0.00 -2.00 0.00 0.00 41.25 39.02 1tap s ASN 28 CO 0.50 -0.32 1.58 0.61 -2.94 0.00 0.00 177.10 176.53 1tap n GLY 29 N -0.99 2.85 0.15 0.45 0.00 -1.26 -4.17 105.19 102.21 1tap n GLY 29 Ca -0.04 -0.82 -0.24 0.00 0.00 0.00 0.00 46.02 44.92 1tap n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tap h LYS 30 N 3.74 0.45 0.00 1.61 1.79 -2.01 -3.48 116.57 118.68 1tap h LYS 30 Ca 0.00 -0.77 0.00 0.00 -2.18 0.00 0.00 60.65 57.70 1tap h LYS 30 Cb 1.37 0.29 0.00 0.00 -1.58 0.00 0.00 32.23 32.30 1tap h LYS 30 CO 0.20 1.37 0.00 0.41 -1.08 0.00 0.00 179.45 180.35 1tap n GLY 31 N 1.80 0.39 3.82 3.86 0.00 -1.26 -5.16 105.19 108.64 1tap n GLY 31 Ca -0.22 -0.35 -0.01 0.00 0.00 0.00 0.00 46.02 45.45 1tap n GLY 31 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tap s GLY 32 N 0.00 -0.12 -0.04 -0.02 0.00 -1.26 -5.09 107.32 100.80 1tap s GLY 32 Ca 0.00 0.06 -0.10 0.00 0.00 0.00 0.00 44.72 44.68 1tap s GLY 32 CO 0.00 2.09 0.28 0.00 0.00 0.00 0.00 173.10 175.47 1tap n ASP 34 N 1.67 0.27 -3.87 0.00 9.92 0.88 -4.73 116.55 120.70 1tap n ASP 34 Ca -0.15 -1.46 -0.09 0.00 -0.53 0.00 0.00 54.79 52.56 1tap n ASP 34 Cb 0.53 -0.69 -0.04 0.00 -0.64 0.00 0.00 41.12 40.28 1tap n ASP 34 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1tap s SER 35 N -4.45 -0.19 0.32 -2.24 1.04 -1.26 -2.66 113.70 104.26 1tap s SER 35 Ca 0.54 -0.69 -0.19 0.00 0.48 0.00 0.00 55.95 56.09 1tap s SER 35 Cb -0.02 0.61 0.04 0.00 0.10 0.00 0.00 66.02 66.76 1tap s SER 35 CO 0.37 -1.15 0.78 0.72 0.98 0.00 0.00 173.24 174.95 1tap s PHE 36 N -3.94 -0.03 -0.04 5.02 -0.12 -1.10 -5.01 117.98 112.75 1tap s PHE 36 Ca 0.15 -0.53 -0.07 0.00 -0.05 0.00 0.00 56.93 56.43 1tap s PHE 36 Cb -0.02 0.77 -0.04 0.00 -0.63 0.00 0.00 43.02 43.10 1tap s PHE 36 CO 0.04 -1.36 0.22 -1.58 -0.05 0.00 0.00 175.22 172.49 1tap s TRP 37 N -3.02 3.60 0.66 3.49 0.52 -1.26 -1.91 118.94 121.01 1tap s TRP 37 Ca 0.14 0.56 -0.15 0.00 0.02 0.00 0.00 56.10 56.67 1tap s TRP 37 Cb -0.05 -1.97 -0.00 0.00 -1.15 0.00 0.00 33.47 30.29 1tap s TRP 37 CO 0.09 0.67 1.10 0.42 0.02 0.00 0.00 176.95 179.25 1tap s ILE 38 N -1.18 3.33 0.15 2.03 1.01 -1.03 -4.56 121.20 120.95 1tap s ILE 38 Ca 0.22 0.60 0.08 0.00 0.00 0.00 0.00 60.65 61.56 1tap s ILE 38 Cb -0.13 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1tap s ILE 38 CO 0.12 -0.40 -0.18 0.00 0.00 0.00 0.00 174.94 174.48 1tap h PRO 40 N 3.46 0.25 0.28 0.00 0.13 -1.88 -3.02 132.00 131.21 1tap h PRO 40 Ca -0.43 -0.11 -0.01 0.00 -0.87 0.00 0.00 66.00 64.58 1tap h PRO 40 Cb 1.20 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1tap h PRO 40 CO 0.48 0.59 -0.13 1.49 -0.23 0.00 0.00 178.00 180.20 1tap h GLU 41 N 0.21 -0.36 -5.80 0.86 4.81 -1.99 -3.36 114.58 108.95 1tap h GLU 41 Ca 0.02 0.02 -0.36 0.00 -0.13 0.00 0.00 59.36 58.92 1tap h GLU 41 Cb 0.76 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.16 1tap h GLU 41 CO 0.06 -0.24 0.91 -0.51 -0.73 0.00 0.00 179.01 178.50 1tap s ASP 42 N -2.54 5.44 -0.58 1.04 1.01 -1.14 -4.85 116.67 115.05 1tap s ASP 42 Ca -0.05 -0.86 -0.04 0.00 0.71 0.00 0.00 52.55 52.30 1tap s ASP 42 Cb 0.01 -2.56 0.15 0.00 1.01 0.00 0.00 42.92 41.52 1tap s ASP 42 CO 0.16 -2.47 0.40 -1.00 0.21 0.00 0.00 175.17 172.47 1tap s HIS 43 N 8.95 3.47 -0.04 4.23 3.76 -1.26 -4.07 115.29 130.33 1tap s HIS 43 Ca 0.65 -2.52 -0.01 0.00 -0.15 0.00 0.00 55.06 53.02 1tap s HIS 43 Cb -0.05 -3.28 -0.03 0.00 1.11 0.00 0.00 32.58 30.33 1tap s HIS 43 CO -0.03 -0.90 2.36 -2.37 -0.85 0.00 0.00 174.74 172.96 1tap n THR 44 N 3.90 2.32 0.00 1.30 5.66 -1.26 -4.52 114.28 121.67 1tap n THR 44 Ca 0.05 -0.89 0.00 0.00 -3.05 0.00 0.00 64.05 60.16 1tap n THR 44 Cb 0.39 -1.59 0.00 0.00 -1.55 0.00 0.00 70.33 67.58 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 1.58 1.57 3.65 1.09 0.00 -1.26 -3.65 105.19 108.16 1tap n GLY 45 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 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 0.48 -2.69 -3.71 4.61 0.00 -1.26 -5.01 120.51 112.93 1tap n ALA 46 Ca 0.00 -0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.01 1tap n ALA 46 Cb 0.00 -1.16 -0.14 0.00 0.00 0.00 0.00 19.45 18.14 1tap n ALA 46 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1tap s ASP 47 N -2.67 4.14 0.15 0.00 2.15 -1.24 -5.10 116.67 114.09 1tap s ASP 47 Ca 0.08 -0.70 -0.24 0.00 0.43 0.00 0.00 52.55 52.13 1tap s ASP 47 Cb -0.01 -1.66 0.07 0.00 -0.30 0.00 0.00 42.92 41.02 1tap s ASP 47 CO 0.88 -0.08 0.71 -0.72 -0.17 0.00 0.00 175.17 175.79 1tap s TYR 48 N 1.37 -0.40 -0.07 -5.34 -0.85 -1.26 -4.84 117.35 105.96 1tap s TYR 48 Ca 0.03 0.15 -0.30 0.00 -0.52 0.00 0.00 57.07 56.42 1tap s TYR 48 Cb -0.15 0.59 -0.03 0.00 0.38 0.00 0.00 41.96 42.75 1tap s TYR 48 CO -0.05 -0.86 1.13 0.71 -1.52 0.00 0.00 175.55 174.96 1tap s TYR 49 N -3.61 3.31 -1.32 -3.49 2.02 -1.24 -4.93 117.35 108.09 1tap s TYR 49 Ca 0.05 1.35 0.29 0.00 -0.37 0.00 0.00 57.07 58.39 1tap s TYR 49 Cb -0.02 -3.34 1.22 0.00 -0.40 0.00 0.00 41.96 39.42 1tap s TYR 49 CO -0.07 -0.92 1.88 -1.13 -1.57 0.00 0.00 175.55 173.73 1tap n SER 50 N 5.11 0.21 -3.99 2.29 3.41 -1.26 -1.63 113.62 117.76 1tap n SER 50 Ca 0.10 -0.10 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1tap n SER 50 Cb 0.47 -0.22 -0.13 0.00 -0.26 0.00 0.00 64.21 64.08 1tap n SER 50 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1tap s SER 51 N -2.72 0.54 0.09 4.04 1.04 -1.26 -4.90 113.70 110.53 1tap s SER 51 Ca 0.22 -0.32 -0.26 0.00 0.48 0.00 0.00 55.95 56.08 1tap s SER 51 Cb 0.19 0.01 -0.13 0.00 0.10 0.00 0.00 66.02 66.20 1tap s SER 51 CO 0.52 -0.11 1.69 0.22 0.98 0.00 0.00 173.24 176.53 1tap h TYR 52 N 5.24 -0.36 -0.59 5.02 3.20 -1.95 -2.87 116.97 124.65 1tap h TYR 52 Ca -0.31 0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.64 1tap h TYR 52 Cb 1.20 0.14 -0.07 0.00 1.54 0.00 0.00 36.73 39.54 1tap h TYR 52 CO 0.54 -0.22 0.24 -0.09 -1.64 0.00 0.00 178.16 176.99 1tap h ARG 53 N -0.32 0.42 0.05 1.82 1.12 -1.98 0.21 114.38 115.70 1tap h ARG 53 Ca -0.00 -0.03 0.03 0.00 -1.11 0.00 0.00 59.98 58.87 1tap h ARG 53 Cb 0.29 -0.09 -0.05 0.00 -0.01 0.00 0.00 29.97 30.11 1tap h ARG 53 CO -0.02 0.28 -0.41 -0.44 -3.11 0.00 0.00 179.97 176.26 1tap h ASP 54 N 0.43 -1.24 0.29 -3.80 5.19 -1.97 0.84 116.42 116.16 1tap h ASP 54 Ca 0.29 0.15 -0.00 0.00 -0.62 0.00 0.00 57.03 56.84 1tap h ASP 54 Cb 0.32 0.48 -0.01 0.00 0.18 0.00 0.00 39.33 40.30 1tap h ASP 54 CO -0.27 -0.47 -0.21 0.00 -3.12 0.00 0.00 179.24 175.17 1tap h PHE 56 N -0.50 -0.97 0.00 0.00 3.57 -0.43 0.27 116.94 118.87 1tap h PHE 56 Ca -0.02 0.06 -0.16 0.00 3.53 0.00 0.00 57.97 61.38 1tap h PHE 56 Cb 0.44 0.49 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 1tap h PHE 56 CO -0.12 -0.39 -0.77 -2.95 -2.23 0.00 0.00 178.31 171.85 1tap h ASN 57 N -0.24 0.00 0.24 0.41 7.08 -0.69 0.43 115.58 122.81 1tap h ASN 57 Ca 0.19 0.00 -0.16 0.00 -3.08 0.00 0.00 56.30 53.25 1tap h ASN 57 Cb 0.55 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.78 1tap h ASN 57 CO -0.59 0.77 -0.60 0.00 -2.08 0.00 0.00 177.43 174.92 1tap h ALA 58 N 1.23 0.76 0.01 4.14 0.00 -0.60 -3.38 119.26 121.44 1tap h ALA 58 Ca -0.01 -0.54 -0.38 0.00 0.00 0.00 0.00 54.91 53.98 1tap h ALA 58 Cb 1.48 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.13 1tap h ALA 58 CO 0.10 0.72 -2.16 0.00 0.00 0.00 0.00 179.25 177.91