#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 -6.40 -4.58 9.48 2.85 -1.26 -4.70 115.26 110.65 1tap n ASN 2 Ca 0.00 0.23 -0.23 0.00 -0.11 0.00 0.00 54.58 54.47 1tap n ASN 2 Cb 0.00 -2.63 -0.08 0.00 1.24 0.00 0.00 39.78 38.32 1tap n ASN 2 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 1tap s ARG 3 N -2.08 2.01 -0.16 1.20 3.52 -1.26 -4.55 118.95 117.63 1tap s ARG 3 Ca 0.24 -0.78 -0.15 0.00 -0.13 0.00 0.00 55.73 54.91 1tap s ARG 3 Cb -0.03 -5.12 -0.12 0.00 -1.56 0.00 0.00 34.95 28.12 1tap s ARG 3 CO 0.65 -4.47 0.13 -0.07 -0.81 0.00 0.00 175.30 170.73 1tap h LEU 4 N 19.53 0.00 -0.33 -0.88 3.38 -2.03 -3.41 115.31 131.57 1tap h LEU 4 Ca 0.13 -0.33 0.07 0.00 0.09 0.00 0.00 57.88 57.83 1tap h LEU 4 Cb 0.97 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.63 1tap h LEU 4 CO 1.14 1.04 -0.38 0.00 0.09 0.00 0.00 178.44 180.34 1tap s ILE 6 N -5.93 5.23 0.45 0.00 1.01 -1.26 -0.70 121.20 120.00 1tap s ILE 6 Ca -0.15 -2.01 -0.08 0.00 0.00 0.00 0.00 60.65 58.42 1tap s ILE 6 Cb 0.12 -4.58 -0.05 0.00 0.01 0.00 0.00 42.46 37.96 1tap s ILE 6 CO 0.66 -1.20 0.78 -0.75 0.00 0.00 0.00 174.94 174.43 1tap s LYS 7 N 1.29 3.65 0.00 2.79 2.47 -1.25 -5.01 119.74 123.67 1tap s LYS 7 Ca 0.22 0.33 0.00 0.00 -1.56 0.00 0.00 55.97 54.96 1tap s LYS 7 Cb -0.10 -2.38 0.00 0.00 -1.46 0.00 0.00 37.83 33.89 1tap s LYS 7 CO -0.08 -0.14 0.00 -0.35 0.16 0.00 0.00 175.35 174.95 1tap n PRO 8 N -1.84 3.51 -2.76 4.03 -0.04 -1.26 -4.90 135.00 131.74 1tap n PRO 8 Ca 0.01 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.41 1tap n PRO 8 Cb 0.55 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.04 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 0.00 0.68 0.06 0.54 1.74 -1.26 -4.95 116.66 113.47 1tap n ARG 9 Ca 0.00 -1.87 0.00 0.00 -0.77 0.00 0.00 57.85 55.21 1tap n ARG 9 Cb 0.00 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 1tap n ARG 9 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1tap n ASP 10 N 2.14 -0.65 -1.42 0.55 8.00 -1.26 -5.02 116.55 118.90 1tap n ASP 10 Ca 0.13 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.84 1tap n ASP 10 Cb 0.60 0.80 0.00 0.00 -0.02 0.00 0.00 41.12 42.50 1tap n ASP 10 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 1tap n TRP 11 N -2.80 0.00 -3.05 1.24 4.27 -1.26 -4.73 117.44 111.11 1tap n TRP 11 Ca 0.00 -0.30 -0.06 0.00 -3.89 0.00 0.00 57.50 53.25 1tap n TRP 11 Cb 0.00 -0.26 0.01 0.00 -1.36 0.00 0.00 31.31 29.70 1tap n TRP 11 CO 0.00 0.00 0.00 -0.89 -2.29 0.00 0.00 177.69 174.51 1tap n ILE 12 N 1.33 -9.86 -1.02 -1.67 -0.00 -1.26 -4.74 119.36 102.14 1tap n ILE 12 Ca 0.00 0.19 0.01 0.00 -0.00 0.00 0.00 62.75 62.95 1tap n ILE 12 Cb 0.20 -6.69 0.33 0.00 -0.00 0.00 0.00 39.64 33.47 1tap n ILE 12 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 1tap n ASP 13 N -1.24 4.84 0.07 4.38 5.75 -1.26 -3.66 116.55 125.42 1tap n ASP 13 Ca 0.02 -3.12 -0.09 0.00 -0.01 0.00 0.00 54.79 51.58 1tap n ASP 13 Cb 0.51 -0.68 0.02 0.00 -1.03 0.00 0.00 41.12 39.93 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 2.85 0.32 -7.23 0.11 4.11 -1.92 -3.44 114.58 109.38 1tap h GLU 14 Ca 0.13 -0.29 -0.49 0.00 0.07 0.00 0.00 59.36 58.77 1tap h GLU 14 Cb 2.02 0.07 0.20 0.00 0.50 0.00 0.00 28.75 31.54 1tap h GLU 14 CO 0.54 0.96 0.16 0.00 0.07 0.00 0.00 179.01 180.74 1tap s ASP 16 N -2.60 0.26 0.17 0.00 2.15 -1.02 -4.50 116.67 111.13 1tap s ASP 16 Ca 0.67 -1.21 -0.32 0.00 0.43 0.00 0.00 52.55 52.12 1tap s ASP 16 Cb -0.24 0.78 -0.16 0.00 -0.30 0.00 0.00 42.92 43.00 1tap s ASP 16 CO 0.60 -1.54 1.03 -1.54 -0.17 0.00 0.00 175.17 173.55 1tap n SER 17 N -1.33 0.74 0.00 -0.34 3.41 -1.26 -0.01 113.62 114.84 1tap n SER 17 Ca -0.05 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.70 1tap n SER 17 Cb 0.60 -1.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 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 1.86 0.00 -3.95 4.04 4.05 -1.26 -4.81 115.26 115.19 1tap n ASN 18 Ca 0.16 0.00 -0.43 0.00 0.45 0.00 0.00 54.58 54.76 1tap n ASN 18 Cb 0.23 -0.17 0.00 0.00 1.23 0.00 0.00 39.78 41.08 1tap n ASN 18 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1tap n GLU 19 N -0.34 3.64 0.00 1.20 -0.58 0.99 -4.87 120.64 120.69 1tap n GLU 19 Ca 0.00 -3.63 0.00 0.00 -0.42 0.00 0.00 57.16 53.11 1tap n GLU 19 Cb 0.00 -2.91 0.00 0.00 -0.57 0.00 0.00 31.44 27.96 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 2.88 0.57 0.00 0.62 0.00 -1.25 -2.42 105.19 105.58 1tap n GLY 20 Ca 0.39 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 0.15 3.78 -0.02 0.00 -0.03 -4.62 105.19 104.44 1tap n GLY 21 Ca 0.00 -0.88 -0.27 0.00 0.00 0.00 0.00 46.02 44.87 1tap n GLY 21 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tap s GLU 22 N 0.00 2.21 0.08 1.61 0.41 -1.26 -4.87 118.70 116.88 1tap s GLU 22 Ca 0.00 -2.03 -0.21 0.00 -0.41 0.00 0.00 54.97 52.32 1tap s GLU 22 Cb 0.00 -1.89 -0.07 0.00 -1.78 0.00 0.00 34.13 30.39 1tap s GLU 22 CO 0.00 -0.29 0.63 1.03 -0.49 0.00 0.00 175.26 176.14 1tap s ARG 23 N -3.98 4.32 -0.02 1.61 3.00 -1.26 -2.49 118.95 120.13 1tap s ARG 23 Ca 0.31 0.84 -0.07 0.00 0.00 0.00 0.00 55.73 56.81 1tap s ARG 23 Cb 0.02 -3.27 0.01 0.00 0.00 0.00 0.00 34.95 31.71 1tap s ARG 23 CO 0.18 0.55 0.16 0.00 0.00 0.00 0.00 175.30 176.18 1tap s ALA 24 N -0.87 -0.38 -0.08 2.13 0.00 -0.38 -4.92 121.76 117.26 1tap s ALA 24 Ca 0.31 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.40 1tap s ALA 24 Cb -0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 1tap s ALA 24 CO 0.20 -0.17 -0.16 0.71 0.00 0.00 0.00 175.76 176.34 1tap s TYR 25 N -0.87 2.68 0.03 0.00 2.02 -0.40 -0.64 117.35 120.17 1tap s TYR 25 Ca -0.10 -0.43 0.01 0.00 -0.37 0.00 0.00 57.07 56.18 1tap s TYR 25 Cb -0.05 -1.69 -0.02 0.00 -0.40 0.00 0.00 41.96 39.79 1tap s TYR 25 CO 0.01 -0.03 -0.04 -0.06 -1.57 0.00 0.00 175.55 173.86 1tap s PHE 26 N -0.26 0.40 0.06 2.71 0.40 -0.68 -3.53 117.98 117.09 1tap s PHE 26 Ca 0.01 -0.58 -0.30 0.00 -0.60 0.00 0.00 56.93 55.46 1tap s PHE 26 Cb -0.13 -0.27 -0.05 0.00 0.51 0.00 0.00 43.02 43.08 1tap s PHE 26 CO 0.03 -0.18 1.12 0.50 0.70 0.00 0.00 175.22 177.39 1tap s ARG 27 N -1.77 4.49 0.00 0.44 3.52 0.12 0.03 118.95 125.78 1tap s ARG 27 Ca -0.12 1.67 0.00 0.00 -0.13 0.00 0.00 55.73 57.15 1tap s ARG 27 Cb -0.08 -3.36 0.00 0.00 -1.56 0.00 0.00 34.95 29.95 1tap s ARG 27 CO -0.02 -0.14 0.00 0.27 -0.81 0.00 0.00 175.30 174.60 1tap n ASN 28 N 3.66 -0.60 0.00 -2.12 0.23 -0.12 -3.88 115.26 112.43 1tap n ASN 28 Ca 0.07 -0.35 0.00 0.00 -0.53 0.00 0.00 54.58 53.77 1tap n ASN 28 Cb 0.48 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 1tap n ASN 28 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1tap n GLY 29 N 2.70 -2.69 2.71 4.83 0.00 -1.26 -4.76 105.19 106.71 1tap n GLY 29 Ca 0.00 0.12 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.84 1.05 0.00 1.61 5.02 -1.26 -4.94 118.16 117.80 1tap n LYS 30 Ca 0.00 -1.96 0.00 0.00 -2.02 0.00 0.00 58.31 54.33 1tap n LYS 30 Cb 0.00 -0.88 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 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 0.18 0.25 1.49 0.72 0.00 -1.26 -5.17 105.19 101.41 1tap n GLY 31 Ca 0.05 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.26 0.48 3.83 -0.02 0.00 -1.26 -5.08 105.19 101.88 1tap n GLY 32 Ca 0.00 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.62 6.70 -0.44 0.00 -1.08 0.10 -4.76 116.67 115.57 1tap s ASP 34 Ca 0.38 0.91 -0.19 0.00 -0.52 0.00 0.00 52.55 53.13 1tap s ASP 34 Cb -0.16 -2.22 0.03 0.00 -1.46 0.00 0.00 42.92 39.11 1tap s ASP 34 CO 0.20 0.09 0.55 -0.44 0.52 0.00 0.00 175.17 176.08 1tap s SER 35 N -1.92 6.25 0.50 -0.34 0.01 -1.26 -1.69 113.70 115.26 1tap s SER 35 Ca 0.38 -0.59 0.02 0.00 1.31 0.00 0.00 55.95 57.07 1tap s SER 35 Cb -0.14 -2.27 0.02 0.00 0.21 0.00 0.00 66.02 63.84 1tap s SER 35 CO 0.20 -0.71 0.71 -0.36 0.41 0.00 0.00 173.24 173.49 1tap s PHE 36 N 2.48 2.94 -0.07 2.43 0.08 0.19 -4.97 117.98 121.07 1tap s PHE 36 Ca 0.17 -0.01 -0.00 0.00 0.12 0.00 0.00 56.93 57.20 1tap s PHE 36 Cb -0.16 -2.58 0.02 0.00 -0.57 0.00 0.00 43.02 39.73 1tap s PHE 36 CO 0.15 -0.67 -0.03 -0.46 -0.10 0.00 0.00 175.22 174.12 1tap s TRP 37 N -2.64 0.84 0.69 0.36 -0.11 -1.26 -1.24 118.94 115.58 1tap s TRP 37 Ca 0.54 -0.28 -0.13 0.00 1.22 0.00 0.00 56.10 57.46 1tap s TRP 37 Cb -0.10 -0.82 0.02 0.00 -1.50 0.00 0.00 33.47 31.06 1tap s TRP 37 CO 0.37 -0.30 1.09 0.42 -4.62 0.00 0.00 176.95 173.91 1tap s ILE 38 N 1.50 3.47 0.72 5.86 1.09 -1.04 -4.48 121.20 128.33 1tap s ILE 38 Ca -0.02 0.58 -0.11 0.00 -1.10 0.00 0.00 60.65 60.01 1tap s ILE 38 Cb -0.13 -3.12 0.04 0.00 -1.06 0.00 0.00 42.46 38.18 1tap s ILE 38 CO -0.03 -0.52 1.09 0.00 -0.10 0.00 0.00 174.94 175.37 1tap h PRO 40 N -0.71 0.09 -0.43 0.00 0.13 -1.89 -2.93 132.00 126.26 1tap h PRO 40 Ca -0.45 -0.16 0.04 0.00 -0.87 0.00 0.00 66.00 64.56 1tap h PRO 40 Cb 1.28 0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.43 1tap h PRO 40 CO 0.64 0.91 0.20 1.49 -0.23 0.00 0.00 178.00 181.01 1tap h GLU 41 N 0.02 0.39 -2.09 0.86 4.81 -1.96 -3.26 114.58 113.36 1tap h GLU 41 Ca -0.16 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 58.93 1tap h GLU 41 Cb 1.92 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 31.17 1tap h GLU 41 CO 0.13 0.26 -0.18 -0.25 -0.73 0.00 0.00 179.01 178.23 1tap n ASP 42 N -4.94 4.60 -4.05 1.04 9.92 -1.11 -4.72 116.55 117.29 1tap n ASP 42 Ca 0.02 -2.31 -0.41 0.00 -0.53 0.00 0.00 54.79 51.56 1tap n ASP 42 Cb 0.12 -1.15 -0.02 0.00 -0.64 0.00 0.00 41.12 39.43 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 2.23 3.48 1.27 1.24 8.25 -1.23 -4.51 115.22 125.95 1tap n HIS 43 Ca 0.25 -2.57 0.00 0.00 -0.26 0.00 0.00 57.72 55.15 1tap n HIS 43 Cb 0.68 -2.44 0.02 0.00 1.12 0.00 0.00 29.99 29.37 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 5.93 0.10 -3.42 1.59 5.66 -1.26 -4.82 114.28 118.06 1tap n THR 44 Ca 0.50 -0.06 -0.25 0.00 -3.05 0.00 0.00 64.05 61.19 1tap n THR 44 Cb 0.42 -0.30 0.03 0.00 -1.55 0.00 0.00 70.33 68.94 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 0.23 -0.51 3.02 1.09 0.00 -1.26 -4.89 105.19 102.87 1tap n GLY 45 Ca 0.01 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1tap n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tap s ALA 46 N -3.17 3.22 -0.11 4.61 0.00 -1.26 -4.97 121.76 120.08 1tap s ALA 46 Ca 0.46 -2.95 -0.17 0.00 0.00 0.00 0.00 51.96 49.30 1tap s ALA 46 Cb -0.22 -2.24 -0.15 0.00 0.00 0.00 0.00 23.12 20.51 1tap s ALA 46 CO 0.57 -1.91 0.52 0.22 0.00 0.00 0.00 175.76 175.16 1tap h ASP 47 N 7.14 -0.04 -3.57 0.00 1.82 -2.00 -3.50 116.42 116.27 1tap h ASP 47 Ca -0.06 -0.51 0.07 0.00 -0.39 0.00 0.00 57.03 56.14 1tap h ASP 47 Cb 0.96 0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.97 1tap h ASP 47 CO 0.65 0.69 -0.09 -1.22 -1.61 0.00 0.00 179.24 177.65 1tap n TYR 48 N -4.74 -2.01 -1.74 0.28 4.01 -1.26 -4.74 117.16 106.97 1tap n TYR 48 Ca -0.06 0.31 -0.42 0.00 -0.16 0.00 0.00 57.90 57.57 1tap n TYR 48 Cb 0.26 -0.54 -0.03 0.00 -0.31 0.00 0.00 39.34 38.72 1tap n TYR 48 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1tap s TYR 49 N -0.83 2.51 0.20 -0.72 1.51 -1.23 -4.89 117.35 113.89 1tap s TYR 49 Ca 0.00 0.17 0.03 0.00 -1.01 0.00 0.00 57.07 56.26 1tap s TYR 49 Cb 0.00 -4.15 0.12 0.00 -0.11 0.00 0.00 41.96 37.83 1tap s TYR 49 CO 0.00 -4.55 1.47 0.66 -1.11 0.00 0.00 175.55 172.02 1tap h SER 50 N 7.77 0.28 -4.70 2.29 4.64 -1.88 -1.05 113.55 120.89 1tap h SER 50 Ca -0.45 -0.19 -0.28 0.00 -0.47 0.00 0.00 61.79 60.41 1tap h SER 50 Cb 1.21 -0.08 -0.20 0.00 -0.31 0.00 0.00 62.40 63.02 1tap h SER 50 CO 0.95 0.91 -0.73 -0.94 -0.87 0.00 0.00 176.83 176.15 1tap s SER 51 N -6.92 0.99 0.12 4.97 1.04 -1.26 -4.83 113.70 107.82 1tap s SER 51 Ca -0.04 -0.63 -0.24 0.00 0.48 0.00 0.00 55.95 55.52 1tap s SER 51 Cb 0.11 0.04 -0.05 0.00 0.10 0.00 0.00 66.02 66.21 1tap s SER 51 CO 0.81 -0.23 1.66 0.22 0.98 0.00 0.00 173.24 176.68 1tap h TYR 52 N 4.23 -0.51 -0.63 5.02 5.03 -1.96 -1.65 116.97 126.49 1tap h TYR 52 Ca -0.36 0.02 0.00 0.00 2.58 0.00 0.00 58.73 60.97 1tap h TYR 52 Cb 1.20 0.23 -0.03 0.00 1.55 0.00 0.00 36.73 39.67 1tap h TYR 52 CO 0.64 -0.28 0.40 -0.09 -1.32 0.00 0.00 178.16 177.51 1tap h ARG 53 N -0.31 0.85 -0.16 1.82 9.65 -1.98 0.16 114.38 124.41 1tap h ARG 53 Ca 0.06 -0.07 0.01 0.00 -1.10 0.00 0.00 59.98 58.89 1tap h ARG 53 Cb 0.39 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.77 1tap h ARG 53 CO -0.19 0.59 0.07 -0.44 2.80 0.00 0.00 179.97 182.80 1tap h ASP 54 N 0.86 0.11 -0.34 -3.80 3.32 -1.96 0.31 116.42 114.91 1tap h ASP 54 Ca 0.23 0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.36 1tap h ASP 54 Cb -0.06 -0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.41 1tap h ASP 54 CO -0.05 0.09 -0.16 0.00 -1.72 0.00 0.00 179.24 177.41 1tap h PHE 56 N -0.10 -1.17 0.00 0.00 3.04 -0.52 -0.88 116.94 117.31 1tap h PHE 56 Ca 0.17 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.08 1tap h PHE 56 Cb 0.36 0.46 -0.01 0.00 2.56 0.00 0.00 35.95 39.32 1tap h PHE 56 CO -0.37 -0.58 -0.23 -0.91 -2.02 0.00 0.00 178.31 174.20 1tap h ASN 57 N -0.84 0.00 -0.01 0.41 2.35 -0.67 0.40 115.58 117.21 1tap h ASN 57 Ca -0.03 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.55 1tap h ASN 57 Cb 0.76 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.12 1tap h ASN 57 CO -0.09 0.23 -0.56 0.00 -1.65 0.00 0.00 177.43 175.37 1tap h ALA 58 N 1.77 0.66 0.00 -0.83 0.00 0.39 -3.41 119.26 117.83 1tap h ALA 58 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1tap h ALA 58 Cb 0.60 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1tap h ALA 58 CO 0.03 0.69 0.00 0.00 0.00 0.00 0.00 179.25 179.97