#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 -0.05 -4.73 2.98 2.85 -1.26 -5.12 115.26 109.92 1tap n ASN 2 Ca 0.00 0.40 -0.42 0.00 -0.11 0.00 0.00 54.58 54.45 1tap n ASN 2 Cb 0.00 0.44 -0.02 0.00 1.24 0.00 0.00 39.78 41.44 1tap n ASN 2 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 1tap n ARG 3 N -2.80 2.64 -0.20 1.20 3.00 -1.26 -4.84 116.66 114.39 1tap n ARG 3 Ca 0.00 0.94 0.16 0.00 -0.00 0.00 0.00 57.85 58.95 1tap n ARG 3 Cb 0.00 -2.72 0.48 0.00 0.00 0.00 0.00 32.46 30.22 1tap n ARG 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1tap h LEU 4 N 4.94 0.44 -0.84 6.15 3.38 -1.93 0.20 115.31 127.66 1tap h LEU 4 Ca -0.46 0.03 0.21 0.00 0.09 0.00 0.00 57.88 57.75 1tap h LEU 4 Cb 1.23 -0.06 -0.14 0.00 0.09 0.00 0.00 40.66 41.78 1tap h LEU 4 CO 0.81 0.22 0.13 0.00 0.09 0.00 0.00 178.44 179.69 1tap s ILE 6 N -6.01 3.20 0.48 0.00 -1.09 0.69 -0.65 121.20 117.82 1tap s ILE 6 Ca -0.13 0.19 -0.22 0.00 -2.23 0.00 0.00 60.65 58.26 1tap s ILE 6 Cb 0.25 -3.33 -0.07 0.00 -1.58 0.00 0.00 42.46 37.72 1tap s ILE 6 CO 0.76 -0.25 1.14 -0.75 -1.23 0.00 0.00 174.94 174.62 1tap s LYS 7 N 6.59 3.65 0.00 2.79 2.20 -1.26 -4.77 119.74 128.95 1tap s LYS 7 Ca 0.89 1.70 0.00 0.00 -0.36 0.00 0.00 55.97 58.20 1tap s LYS 7 Cb -0.24 -2.27 0.00 0.00 -1.51 0.00 0.00 37.83 33.81 1tap s LYS 7 CO 0.31 -0.62 0.00 -0.35 -0.36 0.00 0.00 175.35 174.33 1tap n PRO 8 N -0.74 -1.08 -2.68 4.03 -0.04 -1.26 -5.02 135.00 128.21 1tap n PRO 8 Ca 0.09 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.52 1tap n PRO 8 Cb 0.49 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 34.08 1tap n PRO 8 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1tap n ARG 9 N -1.41 1.34 -2.44 0.54 3.00 -1.26 -4.84 116.66 111.59 1tap n ARG 9 Ca 0.00 -1.39 -0.03 0.00 -0.01 0.00 0.00 57.85 56.42 1tap n ARG 9 Cb 0.00 0.29 0.05 0.00 0.00 0.00 0.00 32.46 32.79 1tap n ARG 9 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1tap n ASP 10 N -1.33 -1.16 -3.19 0.55 5.75 -1.26 -5.07 116.55 110.84 1tap n ASP 10 Ca -0.14 -1.81 0.01 0.00 -0.01 0.00 0.00 54.79 52.83 1tap n ASP 10 Cb 0.87 0.76 -0.02 0.00 -1.03 0.00 0.00 41.12 41.70 1tap n ASP 10 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1tap s TRP 11 N 0.08 -1.61 -1.12 2.11 -0.11 -1.26 -4.99 118.94 112.04 1tap s TRP 11 Ca 0.08 1.06 -0.06 0.00 1.22 0.00 0.00 56.10 58.40 1tap s TRP 11 Cb 0.20 0.27 0.28 0.00 -1.50 0.00 0.00 33.47 32.71 1tap s TRP 11 CO -0.05 -1.01 1.46 -0.89 -4.62 0.00 0.00 176.95 171.84 1tap n ILE 12 N 5.41 5.01 -2.03 5.86 2.08 -1.26 -4.95 119.36 129.48 1tap n ILE 12 Ca 0.03 -5.57 -0.42 0.00 0.56 0.00 0.00 62.75 57.35 1tap n ILE 12 Cb 0.52 -2.24 0.00 0.00 -0.75 0.00 0.00 39.64 37.18 1tap n ILE 12 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1tap n ASP 13 N 2.13 4.31 0.00 4.38 5.68 -1.26 -4.61 116.55 127.19 1tap n ASP 13 Ca 0.28 -2.90 0.05 0.00 -0.50 0.00 0.00 54.79 51.71 1tap n ASP 13 Cb 0.35 -1.64 0.27 0.00 -1.14 0.00 0.00 41.12 38.96 1tap n ASP 13 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1tap n GLU 14 N 6.12 0.93 -2.34 0.11 4.71 -1.26 -4.79 120.64 124.12 1tap n GLU 14 Ca 0.49 0.00 -0.29 0.00 -0.01 0.00 0.00 57.16 57.35 1tap n GLU 14 Cb 0.40 -1.15 0.01 0.00 -1.01 0.00 0.00 31.44 29.68 1tap n GLU 14 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1tap n ASP 16 N -2.48 1.07 -4.50 0.00 8.00 -1.26 -4.58 116.55 112.80 1tap n ASP 16 Ca 0.03 -2.11 -0.31 0.00 0.71 0.00 0.00 54.79 53.10 1tap n ASP 16 Cb 0.55 0.53 0.17 0.00 -0.02 0.00 0.00 41.12 42.36 1tap n ASP 16 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1tap n SER 17 N -1.79 -1.20 0.00 -2.24 3.41 -1.26 -2.94 113.62 107.59 1tap n SER 17 Ca -0.03 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1tap n SER 17 Cb 0.31 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 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 -3.13 0.00 -2.71 4.04 5.15 -1.26 -4.93 115.26 112.42 1tap n ASN 18 Ca 0.07 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 54.02 1tap n ASN 18 Cb 0.54 0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.82 1tap n ASN 18 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1tap n GLU 19 N 0.00 -1.48 -0.65 1.20 -0.58 -1.15 -5.07 120.64 112.91 1tap n GLU 19 Ca 0.00 -0.16 -0.25 0.00 -0.42 0.00 0.00 57.16 56.33 1tap n GLU 19 Cb 0.00 -0.16 0.22 0.00 -0.57 0.00 0.00 31.44 30.92 1tap n GLU 19 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1tap n GLY 20 N 1.20 -3.10 0.00 0.62 0.00 -1.26 -4.96 105.19 97.69 1tap n GLY 20 Ca 0.01 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 -3.92 -1.41 3.98 -0.02 0.00 -1.26 -4.74 105.19 97.81 1tap n GLY 21 Ca 0.12 -1.47 -0.24 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.69 1.68 0.80 1.61 2.12 -1.26 -4.80 118.70 115.17 1tap s GLU 22 Ca 0.00 -0.92 -0.11 0.00 0.36 0.00 0.00 54.97 54.30 1tap s GLU 22 Cb 0.00 -2.27 0.07 0.00 0.26 0.00 0.00 34.13 32.19 1tap s GLU 22 CO 0.00 -1.47 1.09 1.03 -0.54 0.00 0.00 175.26 175.37 1tap s ARG 23 N -5.20 2.03 0.26 4.30 0.52 -1.26 -2.00 118.95 117.59 1tap s ARG 23 Ca 0.66 0.73 -0.06 0.00 -0.52 0.00 0.00 55.73 56.54 1tap s ARG 23 Cb -0.06 -1.90 -0.01 0.00 0.52 0.00 0.00 34.95 33.49 1tap s ARG 23 CO 0.45 -1.68 0.36 0.00 0.02 0.00 0.00 175.30 174.45 1tap s ALA 24 N -3.09 0.49 -0.04 2.13 0.00 0.54 -4.77 121.76 117.02 1tap s ALA 24 Ca 0.61 -1.31 -0.01 0.00 0.00 0.00 0.00 51.96 51.24 1tap s ALA 24 Cb -0.15 1.20 0.03 0.00 0.00 0.00 0.00 23.12 24.20 1tap s ALA 24 CO 0.55 -0.75 0.04 0.71 0.00 0.00 0.00 175.76 176.31 1tap s TYR 25 N -3.84 0.15 0.12 0.00 1.51 -0.59 0.15 117.35 114.86 1tap s TYR 25 Ca 0.30 0.15 0.03 0.00 -1.01 0.00 0.00 57.07 56.54 1tap s TYR 25 Cb 0.02 -0.46 -0.04 0.00 -0.11 0.00 0.00 41.96 41.37 1tap s TYR 25 CO 0.13 -0.18 -0.08 -0.06 -1.11 0.00 0.00 175.55 174.25 1tap s PHE 26 N 1.78 1.06 -0.11 2.71 0.08 -0.41 -3.76 117.98 119.33 1tap s PHE 26 Ca 0.00 -0.84 -0.29 0.00 0.12 0.00 0.00 56.93 55.91 1tap s PHE 26 Cb -0.12 -0.57 -0.04 0.00 -0.57 0.00 0.00 43.02 41.72 1tap s PHE 26 CO -0.03 -0.05 1.47 -0.98 -0.10 0.00 0.00 175.22 175.53 1tap s ARG 27 N -3.79 4.21 0.60 0.44 1.70 0.17 -0.49 118.95 121.79 1tap s ARG 27 Ca 0.14 1.94 0.03 0.00 -0.47 0.00 0.00 55.73 57.38 1tap s ARG 27 Cb 0.04 -3.88 0.08 0.00 -0.57 0.00 0.00 34.95 30.62 1tap s ARG 27 CO -0.02 -0.78 0.83 0.54 -1.08 0.00 0.00 175.30 174.79 1tap s ASN 28 N 2.70 4.96 -0.50 -2.89 2.20 -1.26 -4.54 114.94 115.61 1tap s ASN 28 Ca 0.65 -0.38 -0.07 0.00 -0.94 0.00 0.00 52.86 52.12 1tap s ASN 28 Cb -0.28 -0.27 -0.19 0.00 -2.00 0.00 0.00 41.25 38.51 1tap s ASN 28 CO 0.23 -1.39 3.37 0.61 -2.94 0.00 0.00 177.10 176.97 1tap n GLY 29 N -2.43 3.48 0.23 0.45 0.00 -1.26 -3.77 105.19 101.89 1tap n GLY 29 Ca 0.12 -1.35 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 1tap n GLY 29 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1tap n LYS 30 N 2.67 0.28 0.00 1.61 4.81 -1.26 -5.05 118.16 121.22 1tap n LYS 30 Ca 0.54 0.08 0.00 0.00 -0.87 0.00 0.00 58.31 58.06 1tap n LYS 30 Cb 0.69 -1.14 0.00 0.00 0.02 0.00 0.00 35.03 34.61 1tap n LYS 30 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1tap n GLY 31 N 2.73 1.26 0.00 3.14 0.00 -1.25 -5.11 105.19 105.97 1tap n GLY 31 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 1.52 3.94 -0.02 0.00 -1.26 -4.99 105.19 104.38 1tap n GLY 32 Ca 0.00 -2.00 -0.25 0.00 0.00 0.00 0.00 46.02 43.77 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 -3.57 3.91 1.18 0.00 1.11 0.35 -4.87 116.67 114.78 1tap s ASP 34 Ca 0.38 -1.08 -0.18 0.00 0.18 0.00 0.00 52.55 51.85 1tap s ASP 34 Cb -0.10 -0.43 0.26 0.00 1.07 0.00 0.00 42.92 43.72 1tap s ASP 34 CO 0.31 -0.17 1.03 -0.24 1.18 0.00 0.00 175.17 177.28 1tap n SER 35 N -0.83 -1.57 -3.68 0.27 2.88 -1.26 -1.29 113.62 108.14 1tap n SER 35 Ca -0.05 -1.17 -0.09 0.00 -1.33 0.00 0.00 58.87 56.23 1tap n SER 35 Cb 0.62 -0.91 -0.02 0.00 -0.75 0.00 0.00 64.21 63.15 1tap n SER 35 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1tap s PHE 36 N -2.96 -0.31 -0.17 0.66 0.08 0.12 -4.67 117.98 110.72 1tap s PHE 36 Ca 0.65 -0.04 0.01 0.00 0.12 0.00 0.00 56.93 57.67 1tap s PHE 36 Cb -0.05 0.61 0.03 0.00 -0.57 0.00 0.00 43.02 43.04 1tap s PHE 36 CO 0.49 -1.05 -0.14 -1.58 -0.10 0.00 0.00 175.22 172.84 1tap s TRP 37 N -3.85 2.40 0.89 0.36 0.52 -1.26 -0.34 118.94 117.66 1tap s TRP 37 Ca 0.07 -1.46 -0.11 0.00 0.02 0.00 0.00 56.10 54.63 1tap s TRP 37 Cb -0.03 -1.68 0.13 0.00 -1.15 0.00 0.00 33.47 30.73 1tap s TRP 37 CO -0.02 -0.73 1.11 0.42 0.02 0.00 0.00 176.95 177.76 1tap s ILE 38 N 1.41 2.55 0.10 2.03 1.01 -0.85 -4.50 121.20 122.95 1tap s ILE 38 Ca 0.02 0.18 0.08 0.00 0.00 0.00 0.00 60.65 60.93 1tap s ILE 38 Cb -0.14 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 1tap s ILE 38 CO -0.10 -0.23 -0.15 0.00 0.00 0.00 0.00 174.94 174.46 1tap n PRO 40 N 0.84 0.71 -0.05 0.00 -0.04 -1.26 -3.34 135.00 131.86 1tap n PRO 40 Ca -0.15 -0.35 -0.08 0.00 -0.04 0.00 0.00 63.50 62.88 1tap n PRO 40 Cb 0.52 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 1tap n PRO 40 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1tap h GLU 41 N 0.85 -0.26 0.00 0.54 4.22 -1.97 -3.42 114.58 114.55 1tap h GLU 41 Ca 0.00 0.02 -0.07 0.00 0.08 0.00 0.00 59.36 59.39 1tap h GLU 41 Cb 0.45 0.06 0.03 0.00 0.50 0.00 0.00 28.75 29.78 1tap h GLU 41 CO 0.00 -0.17 0.05 -0.25 -2.18 0.00 0.00 179.01 176.46 1tap n ASP 42 N -5.38 -0.45 0.00 1.04 8.00 -1.21 -5.04 116.55 113.50 1tap n ASP 42 Ca -0.01 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.60 1tap n ASP 42 Cb 0.30 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1tap n ASP 42 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1tap n HIS 43 N -2.52 -1.17 -2.61 1.24 -0.00 -1.26 -4.95 115.22 103.94 1tap n HIS 43 Ca 0.03 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.07 1tap n HIS 43 Cb 0.09 0.23 -0.00 0.00 -0.12 0.00 0.00 29.99 30.19 1tap n HIS 43 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43 1tap n THR 44 N -1.96 -0.62 -2.23 3.57 5.66 -1.26 -0.23 114.28 117.21 1tap n THR 44 Ca 0.00 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 1tap n THR 44 Cb 0.00 -1.63 -0.01 0.00 -1.55 0.00 0.00 70.33 67.14 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 -0.85 -0.26 2.04 1.09 0.00 -1.26 -4.01 105.19 101.94 1tap n GLY 45 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.89 -1.00 -3.94 4.61 0.00 0.68 -5.00 120.51 113.97 1tap n ALA 46 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.04 1tap n ALA 46 Cb 0.52 -0.36 -0.14 0.00 0.00 0.00 0.00 19.45 19.47 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 0.00 4.37 -0.04 0.00 2.15 -1.26 -5.08 116.67 116.81 1tap s ASP 47 Ca 0.00 -2.70 -0.30 0.00 0.43 0.00 0.00 52.55 49.98 1tap s ASP 47 Cb 0.00 -1.56 0.07 0.00 -0.30 0.00 0.00 42.92 41.13 1tap s ASP 47 CO 0.00 -0.28 0.67 -0.72 -0.17 0.00 0.00 175.17 174.67 1tap s TYR 48 N 0.16 -0.64 0.15 -5.34 1.13 -1.26 -4.94 117.35 106.60 1tap s TYR 48 Ca 0.15 1.08 -0.30 0.00 -1.41 0.00 0.00 57.07 56.59 1tap s TYR 48 Cb -0.24 0.41 -0.07 0.00 -1.10 0.00 0.00 41.96 40.96 1tap s TYR 48 CO -0.03 -0.61 1.08 0.71 -2.51 0.00 0.00 175.55 174.19 1tap s TYR 49 N -1.28 3.62 -0.05 -3.49 2.02 -1.25 -4.91 117.35 112.02 1tap s TYR 49 Ca -0.11 1.61 -0.24 0.00 -0.37 0.00 0.00 57.07 57.97 1tap s TYR 49 Cb -0.00 -3.24 -0.25 0.00 -0.40 0.00 0.00 41.96 38.07 1tap s TYR 49 CO 0.09 -0.50 0.99 0.66 -1.57 0.00 0.00 175.55 175.22 1tap h SER 50 N 5.41 0.30 -1.70 2.29 4.64 -1.90 -1.57 113.55 121.03 1tap h SER 50 Ca -0.44 -0.83 -0.48 0.00 -0.47 0.00 0.00 61.79 59.58 1tap h SER 50 Cb 1.21 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 63.18 1tap h SER 50 CO 0.73 1.09 -0.40 -0.94 -0.87 0.00 0.00 176.83 176.45 1tap s SER 51 N -6.50 5.32 0.06 4.97 1.04 -1.26 -4.71 113.70 112.62 1tap s SER 51 Ca -0.15 -0.54 -0.27 0.00 0.48 0.00 0.00 55.95 55.47 1tap s SER 51 Cb 0.01 -0.84 -0.17 0.00 0.10 0.00 0.00 66.02 65.12 1tap s SER 51 CO 0.77 -0.50 1.56 0.22 0.98 0.00 0.00 173.24 176.27 1tap h TYR 52 N 1.08 -0.34 -0.85 5.02 5.03 -1.94 -2.31 116.97 122.66 1tap h TYR 52 Ca -0.43 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 60.92 1tap h TYR 52 Cb 1.26 0.11 -0.05 0.00 1.55 0.00 0.00 36.73 39.60 1tap h TYR 52 CO 0.50 -0.13 0.55 -0.09 -1.32 0.00 0.00 178.16 177.67 1tap h ARG 53 N -0.47 0.95 0.58 1.82 2.43 -1.97 0.95 114.38 118.65 1tap h ARG 53 Ca -0.04 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1tap h ARG 53 Cb 0.36 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1tap h ARG 53 CO 0.06 0.63 -0.49 -0.44 -1.51 0.00 0.00 179.97 178.22 1tap h ASP 54 N 0.98 -1.32 -0.23 -3.80 5.19 -1.91 0.15 116.42 115.48 1tap h ASP 54 Ca 0.36 0.10 0.03 0.00 -0.62 0.00 0.00 57.03 56.89 1tap h ASP 54 Cb 0.16 0.42 -0.03 0.00 0.18 0.00 0.00 39.33 40.06 1tap h ASP 54 CO -0.12 -0.68 0.06 0.00 -3.12 0.00 0.00 179.24 175.38 1tap h PHE 56 N 0.16 0.78 0.11 0.00 3.57 -0.71 -0.75 116.94 120.10 1tap h PHE 56 Ca 0.10 0.02 -0.24 0.00 3.53 0.00 0.00 57.97 61.38 1tap h PHE 56 Cb 0.09 -0.26 0.02 0.00 2.79 0.00 0.00 35.95 38.59 1tap h PHE 56 CO -0.14 0.48 -1.00 -0.91 -2.23 0.00 0.00 178.31 174.51 1tap h ASN 57 N 0.83 0.68 0.44 0.41 2.35 -0.38 0.26 115.58 120.18 1tap h ASN 57 Ca 0.23 -0.86 0.00 0.00 -0.55 0.00 0.00 56.30 55.13 1tap h ASN 57 Cb -0.07 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.08 1tap h ASN 57 CO -0.06 1.47 0.00 0.00 -1.65 0.00 0.00 177.43 177.19 1tap n ALA 58 N -2.66 1.96 0.00 -0.83 0.00 0.34 -4.22 120.51 115.10 1tap n ALA 58 Ca -0.13 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1tap n ALA 58 Cb 0.88 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1tap n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50