#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gab n ILE 2 N 0.00 0.00 0.31 2.28 0.00 -1.26 -4.67 119.36 116.02 1gab n ILE 2 Ca 0.00 -0.32 0.14 0.00 0.00 0.00 0.00 62.75 62.57 1gab n ILE 2 Cb 0.00 1.08 0.73 0.00 0.00 0.00 0.00 39.64 41.45 1gab n ILE 2 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1gab h ASP 3 N 0.00 0.00 -1.09 9.51 5.19 -2.06 -1.73 116.42 126.24 1gab h ASP 3 Ca 0.00 0.00 0.32 0.00 -0.62 0.00 0.00 57.03 56.73 1gab h ASP 3 Cb 0.04 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.51 1gab h ASP 3 CO 0.00 0.00 1.19 0.06 -3.12 0.00 0.00 179.24 177.37 1gab h GLN 4 N 0.00 0.00 -0.06 3.56 -0.00 -1.99 -2.72 115.11 113.90 1gab h GLN 4 Ca 0.02 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.68 1gab h GLN 4 Cb 0.86 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.33 1gab h GLN 4 CO -0.00 0.00 -0.04 1.87 -0.00 0.00 0.00 178.83 180.66 1gab n TRP 5 N -3.35 -0.03 -0.13 0.06 -0.00 -0.65 -0.65 117.44 112.69 1gab n TRP 5 Ca 0.24 0.08 0.09 0.00 -0.00 0.00 0.00 57.50 57.91 1gab n TRP 5 Cb 1.52 -0.46 0.16 0.00 -0.00 0.00 0.00 31.31 32.54 1gab n TRP 5 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 1gab n LEU 6 N -3.06 0.03 0.00 5.87 7.94 -1.02 -4.82 117.00 121.94 1gab n LEU 6 Ca 0.00 0.65 0.00 0.00 -1.11 0.00 0.00 56.01 55.55 1gab n LEU 6 Cb 0.02 -0.27 0.00 0.00 0.53 0.00 0.00 43.42 43.70 1gab n LEU 6 CO -0.01 -0.69 0.00 -0.11 -1.11 0.00 0.00 177.39 175.47 1gab n LEU 7 N -4.15 0.00 0.00 -1.96 7.94 0.18 -4.90 117.00 114.10 1gab n LEU 7 Ca 0.11 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.01 1gab n LEU 7 Cb 0.38 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.33 1gab n LEU 7 CO -0.01 -0.08 0.00 0.29 -1.11 0.00 0.00 177.39 176.47 1gab n LYS 8 N 0.00 0.00 -0.03 1.96 5.02 -1.26 -4.84 118.16 119.01 1gab n LYS 8 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 1gab n LYS 8 Cb 0.00 -2.57 -0.10 0.00 -0.02 0.00 0.00 35.03 32.34 1gab n LYS 8 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 1gab h ASN 9 N 0.00 0.27 0.43 4.39 7.08 -1.93 -3.01 115.58 122.81 1gab h ASN 9 Ca 0.00 -0.67 0.00 0.00 -3.08 0.00 0.00 56.30 52.55 1gab h ASN 9 Cb 0.00 -0.08 0.00 0.00 -2.08 0.00 0.00 38.32 36.16 1gab h ASN 9 CO 0.00 0.90 -0.02 0.00 -2.08 0.00 0.00 177.43 176.22 1gab n ALA 10 N -2.49 2.58 -0.60 4.14 0.00 -1.26 -3.77 120.51 119.10 1gab n ALA 10 Ca -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1gab n ALA 10 Cb 0.46 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1gab n ALA 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1gab n LYS 11 N -1.16 0.00 0.20 0.00 4.81 -1.14 -1.03 118.16 119.84 1gab n LYS 11 Ca 0.16 0.44 0.13 0.00 -0.87 0.00 0.00 58.31 58.17 1gab n LYS 11 Cb 0.23 -1.20 0.36 0.00 0.02 0.00 0.00 35.03 34.44 1gab n LYS 11 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1gab h GLU 12 N 0.00 0.00 0.00 1.64 4.81 -1.75 -2.01 114.58 117.27 1gab h GLU 12 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1gab h GLU 12 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1gab h GLU 12 CO 0.00 0.00 0.00 -0.44 -0.73 0.00 0.00 179.01 177.84 1gab h ASP 13 N 0.00 0.00 0.00 1.04 5.19 -1.62 -2.09 116.42 118.95 1gab h ASP 13 Ca 0.00 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.15 1gab h ASP 13 Cb 0.78 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.24 1gab h ASP 13 CO 0.00 0.00 -1.97 0.00 -3.12 0.00 0.00 179.24 174.15 1gab n ALA 14 N -1.99 1.63 0.26 3.45 0.00 -0.20 -4.41 120.51 119.25 1gab n ALA 14 Ca 0.02 -0.75 0.09 0.00 0.00 0.00 0.00 53.44 52.79 1gab n ALA 14 Cb 0.31 0.09 0.66 0.00 0.00 0.00 0.00 19.45 20.51 1gab n ALA 14 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1gab h ILE 15 N 0.00 0.89 0.00 0.00 2.04 -1.38 -1.47 117.51 117.59 1gab h ILE 15 Ca -0.38 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1gab h ILE 15 Cb 1.62 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.87 1gab h ILE 15 CO -0.05 0.08 0.00 0.00 0.00 0.00 0.00 178.15 178.18 1gab n ALA 16 N -2.45 1.72 0.09 1.87 0.00 -0.79 -1.76 120.51 119.20 1gab n ALA 16 Ca -0.03 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.38 1gab n ALA 16 Cb 0.16 -1.15 0.02 0.00 0.00 0.00 0.00 19.45 18.48 1gab n ALA 16 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1gab n GLU 17 N -1.15 0.10 -0.13 0.00 2.13 -0.56 -4.69 120.64 116.35 1gab n GLU 17 Ca 0.06 -0.86 -0.17 0.00 0.66 0.00 0.00 57.16 56.84 1gab n GLU 17 Cb 0.05 -1.06 -0.12 0.00 0.27 0.00 0.00 31.44 30.59 1gab n GLU 17 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1gab n LEU 18 N 0.09 2.89 0.31 4.31 7.99 -0.72 -3.76 117.00 128.11 1gab n LEU 18 Ca 0.02 -0.13 0.21 0.00 -0.01 0.00 0.00 56.01 56.10 1gab n LEU 18 Cb 0.12 -0.85 1.06 0.00 -0.11 0.00 0.00 43.42 43.64 1gab n LEU 18 CO 0.02 0.92 1.12 0.50 -1.51 0.00 0.00 177.39 178.44 1gab h LYS 19 N 0.00 0.00 0.00 3.23 3.11 -1.77 -0.74 116.57 120.40 1gab h LYS 19 Ca -0.57 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.27 1gab h LYS 19 Cb 1.89 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.12 1gab h LYS 19 CO -0.08 0.00 -1.25 1.17 -2.81 0.00 0.00 179.45 176.47 1gab n LYS 20 N -3.04 0.31 0.14 1.90 3.00 -1.26 -4.24 118.16 114.97 1gab n LYS 20 Ca -0.02 -0.05 -0.24 0.00 -0.00 0.00 0.00 58.31 58.01 1gab n LYS 20 Cb 0.13 -1.56 -0.15 0.00 0.00 0.00 0.00 35.03 33.45 1gab n LYS 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1gab h ALA 21 N 2.52 -0.12 0.00 3.14 0.00 -1.23 -3.48 119.26 120.09 1gab h ALA 21 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1gab h ALA 21 Cb 0.74 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1gab h ALA 21 CO 0.00 0.73 0.00 0.41 0.00 0.00 0.00 179.25 180.39 1gab n GLY 22 N 1.67 1.10 3.45 0.00 0.00 -1.03 -5.11 105.19 105.26 1gab n GLY 22 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 1gab n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gab s ILE 23 N -1.48 4.49 -0.67 -0.61 1.01 -1.19 -4.92 121.20 117.83 1gab s ILE 23 Ca 0.00 -0.27 0.07 0.00 0.00 0.00 0.00 60.65 60.45 1gab s ILE 23 Cb 0.00 -3.19 -0.00 0.00 0.01 0.00 0.00 42.46 39.28 1gab s ILE 23 CO 0.00 0.21 0.53 0.35 0.00 0.00 0.00 174.94 176.03 1gab n THR 24 N 4.95 0.00 -1.55 2.92 -2.24 -1.26 -4.46 114.28 112.65 1gab n THR 24 Ca -0.15 -0.42 -0.51 0.00 -2.27 0.00 0.00 64.05 60.70 1gab n THR 24 Cb 0.50 1.09 -0.05 0.00 -2.10 0.00 0.00 70.33 69.77 1gab n THR 24 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1gab n SER 25 N -0.32 0.87 -0.29 3.42 7.64 -1.26 -4.82 113.62 118.86 1gab n SER 25 Ca 0.03 1.14 0.14 0.00 1.01 0.00 0.00 58.87 61.19 1gab n SER 25 Cb 0.15 -1.13 0.51 0.00 -1.01 0.00 0.00 64.21 62.73 1gab n SER 25 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1gab n ASP 26 N 1.99 1.03 0.10 6.43 5.75 -1.26 -3.63 116.55 126.95 1gab n ASP 26 Ca 0.17 -1.06 0.12 0.00 -0.01 0.00 0.00 54.79 54.01 1gab n ASP 26 Cb 0.21 0.04 0.45 0.00 -1.03 0.00 0.00 41.12 40.79 1gab n ASP 26 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1gab n PHE 27 N -0.43 0.74 -0.13 2.11 7.35 -1.26 -1.60 117.46 124.24 1gab n PHE 27 Ca 0.16 0.24 -0.24 0.00 -0.76 0.00 0.00 57.45 56.85 1gab n PHE 27 Cb 0.32 -0.89 -0.11 0.00 0.35 0.00 0.00 39.48 39.15 1gab n PHE 27 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1gab n TYR 28 N -2.13 0.00 -0.11 -5.13 4.01 -1.24 -3.67 117.16 108.90 1gab n TYR 28 Ca 0.04 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.67 1gab n TYR 28 Cb 0.34 -0.97 -0.03 0.00 -0.31 0.00 0.00 39.34 38.37 1gab n TYR 28 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 1gab h PHE 29 N -0.51 0.63 0.00 -0.72 0.04 -1.68 0.11 116.94 114.82 1gab h PHE 29 Ca -0.63 -0.12 -0.04 0.00 2.80 0.00 0.00 57.97 59.98 1gab h PHE 29 Cb 1.73 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 39.72 1gab h PHE 29 CO -0.03 0.73 -0.20 -0.91 -0.60 0.00 0.00 178.31 177.29 1gab h ASN 30 N 0.35 0.00 0.65 2.17 4.21 -1.53 -2.81 115.58 118.62 1gab h ASN 30 Ca 0.08 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.59 1gab h ASN 30 Cb 0.50 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.70 1gab h ASN 30 CO 0.02 0.20 -1.08 0.00 -1.29 0.00 0.00 177.43 175.29 1gab n ALA 31 N -2.26 2.94 -0.33 -0.83 0.00 -1.03 -4.11 120.51 114.88 1gab n ALA 31 Ca -0.01 -0.33 0.10 0.00 0.00 0.00 0.00 53.44 53.20 1gab n ALA 31 Cb 0.36 -1.02 0.30 0.00 0.00 0.00 0.00 19.45 19.09 1gab n ALA 31 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1gab h ILE 32 N 0.00 0.85 -0.27 0.00 6.09 -0.50 -0.26 117.51 123.41 1gab h ILE 32 Ca 0.00 -0.29 -0.18 0.00 -1.37 0.00 0.00 64.86 63.02 1gab h ILE 32 Cb 0.86 -0.08 -0.00 0.00 0.47 0.00 0.00 36.82 38.07 1gab h ILE 32 CO 0.00 0.15 -0.54 -1.13 -3.07 0.00 0.00 178.15 173.57 1gab h ASN 33 N 0.85 0.88 -0.41 2.19 -0.00 -1.72 -2.81 115.58 114.56 1gab h ASN 33 Ca 0.50 -0.47 0.12 0.00 -0.00 0.00 0.00 56.30 56.45 1gab h ASN 33 Cb 0.66 -0.25 -0.02 0.00 -0.00 0.00 0.00 38.32 38.71 1gab h ASN 33 CO -0.27 1.24 0.46 0.11 -0.00 0.00 0.00 177.43 178.97 1gab h LYS 34 N 0.61 0.00 -6.07 6.67 1.79 -1.23 -3.43 116.57 114.91 1gab h LYS 34 Ca 0.02 0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 57.80 1gab h LYS 34 Cb 1.13 0.00 0.09 0.00 -1.58 0.00 0.00 32.23 31.87 1gab h LYS 34 CO 0.12 0.00 -0.26 0.00 -1.08 0.00 0.00 179.45 178.23 1gab n ALA 35 N -2.33 -2.62 0.04 3.86 0.00 -1.06 -4.90 120.51 113.49 1gab n ALA 35 Ca 0.07 0.48 -0.02 0.00 0.00 0.00 0.00 53.44 53.97 1gab n ALA 35 Cb 0.63 -1.72 -0.01 0.00 0.00 0.00 0.00 19.45 18.35 1gab n ALA 35 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1gab h LYS 36 N 1.79 -0.14 0.00 0.00 1.57 -1.87 -3.45 116.57 114.46 1gab h LYS 36 Ca -0.36 0.01 -0.50 0.00 -1.87 0.00 0.00 60.65 57.93 1gab h LYS 36 Cb 1.42 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.72 1gab h LYS 36 CO 0.60 -0.09 -0.23 -2.37 -0.57 0.00 0.00 179.45 176.79 1gab n THR 37 N -3.53 0.00 -0.11 -0.16 5.66 -1.26 -4.89 114.28 109.99 1gab n THR 37 Ca -0.02 -1.88 -0.09 0.00 -3.05 0.00 0.00 64.05 59.01 1gab n THR 37 Cb 0.06 -0.09 -0.01 0.00 -1.55 0.00 0.00 70.33 68.73 1gab n THR 37 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 1gab h VAL 38 N 0.64 1.13 -0.38 1.08 2.07 -1.92 0.84 116.25 119.71 1gab h VAL 38 Ca -0.30 -0.32 0.11 0.00 0.82 0.00 0.00 66.70 67.01 1gab h VAL 38 Cb 1.10 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1gab h VAL 38 CO 0.47 0.13 0.42 -0.33 0.02 0.00 0.00 177.57 178.28 1gab h GLU 39 N 0.44 0.00 0.17 1.57 5.08 -1.98 0.55 114.58 120.41 1gab h GLU 39 Ca 0.12 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.18 1gab h GLU 39 Cb 0.03 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.30 1gab h GLU 39 CO -0.02 0.00 -1.32 0.93 -1.00 0.00 0.00 179.01 177.60 1gab h GLU 40 N 0.00 0.40 0.29 2.33 3.07 -1.25 -1.26 114.58 118.16 1gab h GLU 40 Ca 0.18 -0.66 -0.01 0.00 -0.50 0.00 0.00 59.36 58.37 1gab h GLU 40 Cb 1.01 0.24 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 1gab h GLU 40 CO -0.00 1.31 -0.14 0.28 -1.40 0.00 0.00 179.01 179.06 1gab h VAL 41 N 0.12 0.00 -0.41 3.13 2.07 0.12 -0.85 116.25 120.43 1gab h VAL 41 Ca -0.18 -0.11 0.12 0.00 0.82 0.00 0.00 66.70 67.35 1gab h VAL 41 Cb 2.03 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1gab h VAL 41 CO 0.23 0.00 0.31 0.78 0.02 0.00 0.00 177.57 178.91 1gab h ASN 42 N -0.49 0.00 -0.52 0.57 2.35 -1.26 -0.30 115.58 115.92 1gab h ASN 42 Ca -0.04 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.59 1gab h ASN 42 Cb 0.30 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1gab h ASN 42 CO 0.06 0.00 -0.14 0.00 -1.65 0.00 0.00 177.43 175.70 1gab h ALA 43 N 1.77 0.74 -0.41 -0.83 0.00 -1.07 -2.57 119.26 116.89 1gab h ALA 43 Ca 0.19 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1gab h ALA 43 Cb 0.80 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1gab h ALA 43 CO -0.00 0.67 0.23 -0.07 0.00 0.00 0.00 179.25 180.09 1gab h LEU 44 N 0.90 0.51 -2.03 0.00 3.38 0.44 -1.23 115.31 117.27 1gab h LEU 44 Ca 0.13 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1gab h LEU 44 Cb 0.72 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1gab h LEU 44 CO 0.06 0.44 -0.09 0.11 0.09 0.00 0.00 178.44 179.05 1gab h LYS 45 N 0.54 0.00 0.00 1.13 1.79 -1.41 -0.76 116.57 117.87 1gab h LYS 45 Ca 0.15 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1gab h LYS 45 Cb 0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1gab h LYS 45 CO -0.02 0.09 -0.04 -0.91 -1.08 0.00 0.00 179.45 177.49 1gab h ASN 46 N 0.00 0.00 1.62 0.86 4.21 -0.85 -3.16 115.58 118.26 1gab h ASN 46 Ca -0.00 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1gab h ASN 46 Cb 0.23 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.43 1gab h ASN 46 CO 0.01 0.00 0.00 -0.08 -1.29 0.00 0.00 177.43 176.07 1gab h GLU 47 N 0.00 0.00 -0.22 0.81 4.81 -0.19 -3.22 114.58 116.57 1gab h GLU 47 Ca 0.00 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1gab h GLU 47 Cb 0.99 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1gab h GLU 47 CO 0.00 0.00 -0.45 0.82 -0.73 0.00 0.00 179.01 178.65 1gab h ILE 48 N 0.00 1.31 -0.52 2.32 2.04 -1.50 0.63 117.51 121.79 1gab h ILE 48 Ca 0.00 -1.66 0.15 0.00 1.00 0.00 0.00 64.86 64.35 1gab h ILE 48 Cb 0.81 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.66 1gab h ILE 48 CO 0.00 0.53 0.52 -0.07 0.00 0.00 0.00 178.15 179.13 1gab h LEU 49 N 0.42 0.00 0.00 1.44 3.38 -1.70 -0.47 115.31 118.37 1gab h LEU 49 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1gab h LEU 49 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1gab h LEU 49 CO 0.10 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.92 1gab n LYS 50 N -3.77 0.00 -0.14 1.13 4.01 -1.01 -4.61 118.16 113.76 1gab n LYS 50 Ca 0.10 0.00 0.27 0.00 -0.51 0.00 0.00 58.31 58.17 1gab n LYS 50 Cb 0.73 -0.17 0.53 0.00 -0.51 0.00 0.00 35.03 35.61 1gab n LYS 50 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1gab h ALA 51 N -0.77 2.77 -3.18 7.82 0.00 0.16 -3.38 119.26 122.68 1gab h ALA 51 Ca 0.00 -0.03 -0.41 0.00 0.00 0.00 0.00 54.91 54.47 1gab h ALA 51 Cb 0.00 0.07 -0.20 0.00 0.00 0.00 0.00 17.79 17.66 1gab h ALA 51 CO 0.00 -1.48 -0.77 -1.58 0.00 0.00 0.00 179.25 175.42 1gab s HIS 52 N -4.50 1.28 0.00 0.00 5.65 -0.19 -5.00 115.29 112.54 1gab s HIS 52 Ca -0.03 -0.51 0.00 0.00 0.25 0.00 0.00 55.06 54.77 1gab s HIS 52 Cb 0.15 -0.70 0.00 0.00 -1.18 0.00 0.00 32.58 30.85 1gab s HIS 52 CO 0.50 0.08 0.00 0.00 -0.65 0.00 0.00 174.74 174.67