#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 5.54 -1.14 9.48 -0.87 -1.26 -4.89 114.94 121.80 1tap s ASN 2 Ca 0.00 -0.02 -0.23 0.00 -1.57 0.00 0.00 52.86 51.04 1tap s ASN 2 Cb 0.00 -2.54 -0.10 0.00 -0.02 0.00 0.00 41.25 38.59 1tap s ASN 2 CO 0.00 -2.23 1.96 -0.60 -2.57 0.00 0.00 177.10 173.66 1tap s ARG 3 N 6.62 2.33 -0.17 -0.60 3.52 -1.26 -4.60 118.95 124.80 1tap s ARG 3 Ca 0.58 -0.97 -0.08 0.00 -0.13 0.00 0.00 55.73 55.13 1tap s ARG 3 Cb -0.10 -5.19 -0.23 0.00 -1.56 0.00 0.00 34.95 27.87 1tap s ARG 3 CO 0.16 -4.11 0.20 1.28 -0.81 0.00 0.00 175.30 172.02 1tap n LEU 4 N 15.04 2.54 -0.30 -0.88 4.77 -1.26 -4.34 117.00 132.57 1tap n LEU 4 Ca 0.44 0.19 0.11 0.00 -0.03 0.00 0.00 56.01 56.72 1tap n LEU 4 Cb 0.47 -1.05 0.24 0.00 -2.33 0.00 0.00 43.42 40.75 1tap n LEU 4 CO 0.66 0.77 0.86 0.00 -1.33 0.00 0.00 177.39 178.34 1tap s ILE 6 N -6.02 3.82 -0.18 0.00 -1.09 -1.26 -0.25 121.20 116.23 1tap s ILE 6 Ca -0.13 0.14 -0.30 0.00 -2.23 0.00 0.00 60.65 58.13 1tap s ILE 6 Cb 0.26 -4.91 -0.07 0.00 -1.58 0.00 0.00 42.46 36.15 1tap s ILE 6 CO 0.77 -1.83 2.15 1.17 -1.23 0.00 0.00 174.94 175.97 1tap n LYS 7 N 9.10 2.03 -0.58 2.79 0.00 -1.26 -4.82 118.16 125.42 1tap n LYS 7 Ca 0.07 0.62 -0.10 0.00 0.00 0.00 0.00 58.31 58.89 1tap n LYS 7 Cb 0.49 -3.04 0.05 0.00 0.00 0.00 0.00 35.03 32.53 1tap n LYS 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1tap n PRO 8 N 8.28 1.53 -1.01 1.64 -0.04 -1.26 -4.73 135.00 139.41 1tap n PRO 8 Ca 0.29 -1.17 -0.00 0.00 -0.04 0.00 0.00 63.50 62.58 1tap n PRO 8 Cb 0.40 -1.46 -0.00 0.00 -0.04 0.00 0.00 33.50 32.40 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 0.12 -0.04 -2.79 0.54 3.00 -1.26 -4.92 116.66 111.32 1tap n ARG 9 Ca 0.23 0.40 -0.13 0.00 -0.00 0.00 0.00 57.85 58.34 1tap n ARG 9 Cb 0.81 -3.80 0.01 0.00 0.00 0.00 0.00 32.46 29.48 1tap n ARG 9 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1tap n ASP 10 N 1.45 1.58 -3.74 6.15 2.03 -1.26 -5.05 116.55 117.71 1tap n ASP 10 Ca -0.00 -2.88 -0.13 0.00 0.52 0.00 0.00 54.79 52.30 1tap n ASP 10 Cb 0.02 -0.55 -0.11 0.00 -0.72 0.00 0.00 41.12 39.76 1tap n ASP 10 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 1tap s TRP 11 N -2.98 -0.41 -1.02 -0.67 -0.11 -1.26 -5.08 118.94 107.41 1tap s TRP 11 Ca 0.32 0.98 -0.05 0.00 1.22 0.00 0.00 56.10 58.58 1tap s TRP 11 Cb 0.42 0.14 0.27 0.00 -1.50 0.00 0.00 33.47 32.80 1tap s TRP 11 CO -0.01 -0.20 1.08 -0.89 -4.62 0.00 0.00 176.95 172.31 1tap n ILE 12 N 3.04 4.18 -2.18 5.86 5.41 -1.26 -4.97 119.36 129.44 1tap n ILE 12 Ca -0.14 -5.42 -0.41 0.00 1.00 0.00 0.00 62.75 57.77 1tap n ILE 12 Cb 0.57 -2.39 -0.01 0.00 -0.71 0.00 0.00 39.64 37.10 1tap n ILE 12 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1tap n ASP 13 N 2.16 4.26 0.00 4.38 2.03 -1.26 -3.96 116.55 124.16 1tap n ASP 13 Ca 0.24 -2.86 0.00 0.00 0.52 0.00 0.00 54.79 52.70 1tap n ASP 13 Cb 0.37 -1.68 0.00 0.00 -0.72 0.00 0.00 41.12 39.09 1tap n ASP 13 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1tap n GLU 14 N 7.64 0.00 -1.67 -0.67 1.02 -1.26 -5.04 120.64 120.66 1tap n GLU 14 Ca 0.49 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 57.34 1tap n GLU 14 Cb 0.44 -0.43 0.16 0.00 -0.02 0.00 0.00 31.44 31.59 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 -3.86 2.42 -4.48 0.00 9.92 -1.26 -4.29 116.55 115.01 1tap n ASP 16 Ca 0.11 -2.66 -0.32 0.00 -0.53 0.00 0.00 54.79 51.40 1tap n ASP 16 Cb 0.60 -0.15 0.16 0.00 -0.64 0.00 0.00 41.12 41.08 1tap n ASP 16 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1tap n SER 17 N -2.01 -1.37 0.00 -2.24 3.41 -1.26 -3.46 113.62 106.69 1tap n SER 17 Ca 0.04 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1tap n SER 17 Cb 0.58 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 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 -2.72 0.00 -3.31 4.04 4.05 -1.26 -4.80 115.26 111.26 1tap n ASN 18 Ca 0.07 0.00 -0.30 0.00 0.45 0.00 0.00 54.58 54.80 1tap n ASN 18 Cb 0.54 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 41.53 1tap n ASN 18 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 1tap n GLU 19 N 0.00 2.37 0.00 1.20 4.07 -1.22 -4.75 120.64 122.31 1tap n GLU 19 Ca 0.00 -1.75 0.00 0.00 -0.06 0.00 0.00 57.16 55.35 1tap n GLU 19 Cb 0.00 -2.65 0.00 0.00 -0.06 0.00 0.00 31.44 28.73 1tap n GLU 19 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1tap n GLY 20 N 3.87 1.16 3.63 8.31 0.00 -1.26 -3.88 105.19 117.02 1tap n GLY 20 Ca 0.53 -0.01 -0.46 0.00 0.00 0.00 0.00 46.02 46.08 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 0.39 3.91 -0.02 0.00 -1.26 -4.87 105.19 103.34 1tap n GLY 21 Ca 0.00 0.47 -0.28 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.66 2.88 0.35 1.61 2.12 -1.26 -4.31 118.70 119.42 1tap s GLU 22 Ca 0.67 0.13 -0.07 0.00 0.36 0.00 0.00 54.97 56.06 1tap s GLU 22 Cb -0.71 -2.19 -0.05 0.00 0.26 0.00 0.00 34.13 31.43 1tap s GLU 22 CO 0.53 -0.82 0.65 0.50 -0.54 0.00 0.00 175.26 175.58 1tap s ARG 23 N -5.11 3.68 0.15 4.30 3.52 -1.26 -3.26 118.95 120.97 1tap s ARG 23 Ca 0.55 0.19 -0.05 0.00 -0.13 0.00 0.00 55.73 56.28 1tap s ARG 23 Cb -0.11 -2.53 -0.02 0.00 -1.56 0.00 0.00 34.95 30.73 1tap s ARG 23 CO 0.47 0.09 0.19 0.00 -0.81 0.00 0.00 175.30 175.24 1tap s ALA 24 N -2.24 0.40 -0.14 6.12 0.00 -1.06 -4.84 121.76 119.99 1tap s ALA 24 Ca 0.47 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1tap s ALA 24 Cb -0.10 0.89 -0.00 0.00 0.00 0.00 0.00 23.12 23.90 1tap s ALA 24 CO 0.31 -0.58 -0.16 0.71 0.00 0.00 0.00 175.76 176.04 1tap s TYR 25 N -4.01 2.76 0.16 0.00 1.51 0.00 -2.91 117.35 114.86 1tap s TYR 25 Ca 0.21 -0.94 0.03 0.00 -1.01 0.00 0.00 57.07 55.36 1tap s TYR 25 Cb 0.05 -1.86 -0.01 0.00 -0.11 0.00 0.00 41.96 40.03 1tap s TYR 25 CO 0.01 -0.40 0.09 1.19 -1.11 0.00 0.00 175.55 175.34 1tap n PHE 26 N 3.86 -0.14 -2.26 2.71 3.01 -1.09 -4.38 117.46 119.17 1tap n PHE 26 Ca -0.19 -1.17 -0.41 0.00 1.01 0.00 0.00 57.45 56.69 1tap n PHE 26 Cb 0.52 0.06 -0.03 0.00 -0.01 0.00 0.00 39.48 40.02 1tap n PHE 26 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1tap s ARG 27 N -2.63 4.44 0.41 -1.08 3.52 0.66 0.08 118.95 124.35 1tap s ARG 27 Ca 0.13 2.03 -0.19 0.00 -0.13 0.00 0.00 55.73 57.57 1tap s ARG 27 Cb 0.01 -3.17 -0.10 0.00 -1.56 0.00 0.00 34.95 30.13 1tap s ARG 27 CO 0.09 -0.13 0.89 0.54 -0.81 0.00 0.00 175.30 175.89 1tap s ASN 28 N -0.13 6.86 -0.13 -2.12 6.03 -0.14 -4.47 114.94 120.84 1tap s ASN 28 Ca 0.52 1.56 -0.02 0.00 -1.03 0.00 0.00 52.86 53.89 1tap s ASN 28 Cb -0.36 -2.49 0.03 0.00 -3.03 0.00 0.00 41.25 35.40 1tap s ASN 28 CO 0.42 -0.34 2.33 0.61 -2.03 0.00 0.00 177.10 178.09 1tap n GLY 29 N -0.67 3.21 2.65 0.45 0.00 -1.26 -3.91 105.19 105.65 1tap n GLY 29 Ca 0.06 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 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 1.26 1.09 -3.13 1.61 5.02 -1.26 -5.06 118.16 117.70 1tap n LYS 30 Ca 0.20 -2.19 -0.06 0.00 -2.02 0.00 0.00 58.31 54.24 1tap n LYS 30 Cb 0.59 -0.76 0.00 0.00 -0.02 0.00 0.00 35.03 34.85 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 -0.05 -1.22 0.00 0.72 0.00 -1.25 -4.92 105.19 98.47 1tap n GLY 31 Ca 0.05 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 -1.47 -0.43 3.92 -0.02 0.00 -1.26 -5.03 105.19 100.90 1tap n GLY 32 Ca -0.02 -1.43 -0.20 0.00 0.00 0.00 0.00 46.02 44.36 1tap n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tap n ASP 34 N -1.48 1.35 -3.30 0.00 -0.08 0.11 -4.12 116.55 109.03 1tap n ASP 34 Ca -0.02 -2.61 -0.10 0.00 -1.51 0.00 0.00 54.79 50.56 1tap n ASP 34 Cb 0.59 0.71 -0.01 0.00 2.34 0.00 0.00 41.12 44.75 1tap n ASP 34 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1tap s SER 35 N -2.88 0.12 -0.09 1.67 1.04 -1.26 -2.69 113.70 109.61 1tap s SER 35 Ca 0.14 -1.08 -0.33 0.00 0.48 0.00 0.00 55.95 55.16 1tap s SER 35 Cb 0.01 0.76 0.14 0.00 0.10 0.00 0.00 66.02 67.03 1tap s SER 35 CO 0.10 -1.49 1.40 0.72 0.98 0.00 0.00 173.24 174.95 1tap s PHE 36 N -2.97 -0.01 0.11 5.02 -0.12 -1.15 -5.00 117.98 113.86 1tap s PHE 36 Ca 0.18 -0.01 0.01 0.00 -0.05 0.00 0.00 56.93 57.06 1tap s PHE 36 Cb -0.04 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.83 1tap s PHE 36 CO 0.12 -0.08 0.25 -1.58 -0.05 0.00 0.00 175.22 173.88 1tap s TRP 37 N -2.13 3.49 -0.97 3.49 0.52 -1.26 -2.57 118.94 119.52 1tap s TRP 37 Ca 0.14 0.17 0.26 0.00 0.02 0.00 0.00 56.10 56.70 1tap s TRP 37 Cb 0.06 -1.71 0.68 0.00 -1.15 0.00 0.00 33.47 31.36 1tap s TRP 37 CO -0.06 0.55 1.54 -0.89 0.02 0.00 0.00 176.95 178.11 1tap n ILE 38 N -0.17 0.03 -1.01 2.03 5.41 -1.20 -4.44 119.36 120.02 1tap n ILE 38 Ca -0.06 -0.02 0.01 0.00 1.00 0.00 0.00 62.75 63.67 1tap n ILE 38 Cb 0.53 0.02 -0.00 0.00 -0.71 0.00 0.00 39.64 39.48 1tap n ILE 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1tap h PRO 40 N 0.06 0.51 -1.09 0.00 0.13 -1.90 -2.11 132.00 127.60 1tap h PRO 40 Ca -0.01 -0.03 0.34 0.00 -0.87 0.00 0.00 66.00 65.43 1tap h PRO 40 Cb 0.64 -0.12 -0.13 0.00 0.13 0.00 0.00 31.00 31.52 1tap h PRO 40 CO 0.00 0.34 0.66 1.49 -0.23 0.00 0.00 178.00 180.26 1tap h GLU 41 N 0.53 0.27 0.00 0.86 4.57 -1.94 -3.26 114.58 115.61 1tap h GLU 41 Ca 0.17 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1tap h GLU 41 Cb 0.01 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1tap h GLU 41 CO -0.08 0.18 -0.05 -0.25 -1.18 0.00 0.00 179.01 177.63 1tap n ASP 42 N -4.88 1.73 -0.28 1.04 9.92 -0.80 -4.91 116.55 118.36 1tap n ASP 42 Ca 0.32 -2.31 0.11 0.00 -0.53 0.00 0.00 54.79 52.38 1tap n ASP 42 Cb 1.08 -0.19 0.22 0.00 -0.64 0.00 0.00 41.12 41.59 1tap n ASP 42 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1tap n HIS 43 N -0.76 0.49 -4.10 1.24 8.25 -1.17 -4.81 115.22 114.34 1tap n HIS 43 Ca 0.06 0.96 -0.34 0.00 -0.26 0.00 0.00 57.72 58.15 1tap n HIS 43 Cb 0.47 -1.08 -0.01 0.00 1.12 0.00 0.00 29.99 30.49 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 -5.14 -1.53 -0.47 1.59 5.66 -1.26 -0.56 114.28 112.57 1tap n THR 44 Ca 0.18 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 61.13 1tap n THR 44 Cb 0.59 -2.14 0.00 0.00 -1.55 0.00 0.00 70.33 67.23 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 -1.53 0.10 4.23 1.09 0.00 -1.26 -3.61 105.19 104.20 1tap n GLY 45 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 0.99 -1.40 -1.39 4.61 0.00 0.28 -4.79 120.51 118.81 1tap n ALA 46 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 53.44 52.88 1tap n ALA 46 Cb 0.00 -1.71 -0.07 0.00 0.00 0.00 0.00 19.45 17.67 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 -2.32 7.31 -3.57 0.00 2.03 -1.24 -4.85 116.55 113.91 1tap n ASP 47 Ca -0.04 -2.75 -0.20 0.00 0.52 0.00 0.00 54.79 52.31 1tap n ASP 47 Cb 0.49 -1.43 -0.08 0.00 -0.72 0.00 0.00 41.12 39.38 1tap n ASP 47 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1tap s TYR 48 N 0.60 1.73 -0.29 -0.67 2.02 -1.26 -5.09 117.35 114.38 1tap s TYR 48 Ca 0.64 -1.57 -0.35 0.00 -0.37 0.00 0.00 57.07 55.42 1tap s TYR 48 Cb 0.25 -0.80 -0.12 0.00 -0.40 0.00 0.00 41.96 40.89 1tap s TYR 48 CO -0.07 -0.74 2.08 0.66 -1.57 0.00 0.00 175.55 175.91 1tap n TYR 49 N -0.66 1.80 0.03 2.71 4.01 -1.26 -4.88 117.16 118.91 1tap n TYR 49 Ca 0.04 0.24 -0.08 0.00 -0.16 0.00 0.00 57.90 57.95 1tap n TYR 49 Cb 0.63 -2.55 -0.13 0.00 -0.31 0.00 0.00 39.34 36.98 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 11.35 0.03 -4.03 7.72 4.64 -1.89 0.04 113.55 131.41 1tap h SER 50 Ca -0.34 -0.04 -0.41 0.00 -0.47 0.00 0.00 61.79 60.53 1tap h SER 50 Cb 1.31 -0.01 -0.14 0.00 -0.31 0.00 0.00 62.40 63.25 1tap h SER 50 CO 1.00 1.04 -0.60 -0.94 -0.87 0.00 0.00 176.83 176.45 1tap s SER 51 N -6.53 1.69 0.11 4.97 1.04 -1.26 -4.74 113.70 108.97 1tap s SER 51 Ca -0.02 -1.41 -0.25 0.00 0.48 0.00 0.00 55.95 54.75 1tap s SER 51 Cb 0.09 0.12 -0.10 0.00 0.10 0.00 0.00 66.02 66.24 1tap s SER 51 CO 0.82 -0.72 1.67 0.22 0.98 0.00 0.00 173.24 176.22 1tap h TYR 52 N 2.25 -0.45 -0.99 5.02 3.20 -1.96 -1.51 116.97 122.54 1tap h TYR 52 Ca -0.39 0.01 0.19 0.00 3.14 0.00 0.00 58.73 61.68 1tap h TYR 52 Cb 1.25 0.18 -0.10 0.00 1.54 0.00 0.00 36.73 39.60 1tap h TYR 52 CO 0.60 -0.25 0.61 -0.09 -1.64 0.00 0.00 178.16 177.39 1tap h ARG 53 N -0.33 0.70 0.54 1.82 2.43 -1.97 -0.20 114.38 117.37 1tap h ARG 53 Ca 0.02 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1tap h ARG 53 Cb 0.35 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1tap h ARG 53 CO -0.09 0.46 -0.40 -0.44 -1.51 0.00 0.00 179.97 177.99 1tap h ASP 54 N 0.72 -1.04 -0.63 -3.80 3.32 -1.66 0.24 116.42 113.56 1tap h ASP 54 Ca 0.56 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.68 1tap h ASP 54 Cb 0.93 0.32 -0.03 0.00 0.22 0.00 0.00 39.33 40.78 1tap h ASP 54 CO -0.35 -0.58 0.37 0.00 -1.72 0.00 0.00 179.24 176.96 1tap h PHE 56 N 0.86 0.50 0.06 0.00 3.57 -0.76 0.76 116.94 121.92 1tap h PHE 56 Ca 0.22 0.02 -0.26 0.00 3.53 0.00 0.00 57.97 61.48 1tap h PHE 56 Cb 0.00 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 1tap h PHE 56 CO -0.01 0.28 -1.29 -2.95 -2.23 0.00 0.00 178.31 172.11 1tap h ASN 57 N 0.54 0.19 1.16 0.41 7.08 -0.27 0.71 115.58 125.41 1tap h ASN 57 Ca 0.19 -0.24 -0.02 0.00 -3.08 0.00 0.00 56.30 53.16 1tap h ASN 57 Cb 0.03 -0.06 -0.00 0.00 -2.08 0.00 0.00 38.32 36.21 1tap h ASN 57 CO -0.09 1.19 -0.08 0.00 -2.08 0.00 0.00 177.43 176.37 1tap h ALA 58 N 0.78 1.00 0.00 4.14 0.00 -0.48 -3.40 119.26 121.29 1tap h ALA 58 Ca -0.13 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1tap h ALA 58 Cb 1.91 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1tap h ALA 58 CO 0.15 0.09 -0.43 0.00 0.00 0.00 0.00 179.25 179.06