#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 -4.95 -0.74 2.28 2.08 -1.26 -4.81 119.36 111.96 1gab n ILE 2 Ca 0.00 -0.83 -0.07 0.00 0.56 0.00 0.00 62.75 62.41 1gab n ILE 2 Cb 0.00 -3.75 0.25 0.00 -0.75 0.00 0.00 39.64 35.39 1gab n ILE 2 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1gab n ASP 3 N -2.50 4.33 -0.05 4.38 2.03 -1.26 -4.35 116.55 119.12 1gab n ASP 3 Ca -0.10 -3.07 -0.13 0.00 0.52 0.00 0.00 54.79 52.01 1gab n ASP 3 Cb 0.58 -0.72 -0.12 0.00 -0.72 0.00 0.00 41.12 40.14 1gab n ASP 3 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 1gab h GLN 4 N 2.12 -0.01 0.00 -0.67 4.15 -2.00 -3.42 115.11 115.28 1gab h GLN 4 Ca 0.27 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.36 1gab h GLN 4 Cb 2.17 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 29.81 1gab h GLN 4 CO 0.67 0.78 -2.11 -2.67 -1.93 0.00 0.00 178.83 173.58 1gab n TRP 5 N -4.71 0.00 -2.36 3.99 4.27 -1.26 -4.81 117.44 112.56 1gab n TRP 5 Ca -0.09 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.52 1gab n TRP 5 Cb 0.39 -0.71 0.00 0.00 -1.36 0.00 0.00 31.31 29.62 1gab n TRP 5 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 1gab n LEU 6 N -3.85 0.00 -0.07 5.67 7.99 -1.26 0.16 117.00 125.63 1gab n LEU 6 Ca -0.39 0.46 0.00 0.00 -0.01 0.00 0.00 56.01 56.07 1gab n LEU 6 Cb 0.78 -0.94 0.00 0.00 -0.11 0.00 0.00 43.42 43.16 1gab n LEU 6 CO 0.03 0.00 0.00 -0.11 -1.51 0.00 0.00 177.39 175.80 1gab n LEU 7 N -2.33 -0.33 -3.18 2.23 7.94 -1.26 -5.04 117.00 115.03 1gab n LEU 7 Ca 0.00 0.00 -0.21 0.00 -1.11 0.00 0.00 56.01 54.69 1gab n LEU 7 Cb 0.46 -0.09 -0.05 0.00 0.53 0.00 0.00 43.42 44.27 1gab n LEU 7 CO 0.00 0.00 -0.19 0.29 -1.11 0.00 0.00 177.39 176.38 1gab n LYS 8 N -0.25 1.22 0.00 1.96 5.02 0.42 -4.80 118.16 121.73 1gab n LYS 8 Ca 0.00 -3.57 0.00 0.00 -2.02 0.00 0.00 58.31 52.72 1gab n LYS 8 Cb 0.09 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 1gab n LYS 8 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1gab n ASN 9 N 0.60 0.00 0.19 4.39 0.23 -1.26 -4.71 115.26 114.69 1gab n ASN 9 Ca 0.25 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.42 1gab n ASN 9 Cb 0.58 0.05 0.20 0.00 -2.08 0.00 0.00 39.78 38.53 1gab n ASN 9 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1gab h ALA 10 N 0.00 0.95 0.00 -2.53 0.00 -1.94 -3.00 119.26 112.74 1gab h ALA 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gab h ALA 10 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1gab h ALA 10 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 179.25 179.61 1gab n LYS 11 N -2.90 0.23 -0.12 0.00 2.85 -1.26 -1.72 118.16 115.24 1gab n LYS 11 Ca 0.04 0.32 -0.15 0.00 -1.05 0.00 0.00 58.31 57.47 1gab n LYS 11 Cb 0.51 -1.85 -0.12 0.00 -0.65 0.00 0.00 35.03 32.92 1gab n LYS 11 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1gab n GLU 12 N -2.27 0.67 0.16 -1.58 2.13 -1.17 -3.00 120.64 115.58 1gab n GLU 12 Ca 0.04 0.11 0.03 0.00 0.66 0.00 0.00 57.16 58.00 1gab n GLU 12 Cb 0.33 -1.49 0.20 0.00 0.27 0.00 0.00 31.44 30.75 1gab n GLU 12 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1gab h ASP 13 N 0.00 0.00 0.07 4.31 5.19 -1.55 -2.19 116.42 122.25 1gab h ASP 13 Ca -0.55 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 55.51 1gab h ASP 13 Cb 1.93 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 41.40 1gab h ASP 13 CO -0.06 0.48 -2.01 0.00 -3.12 0.00 0.00 179.24 174.53 1gab n ALA 14 N -2.29 1.00 0.18 3.45 0.00 -0.70 -4.13 120.51 118.02 1gab n ALA 14 Ca 0.00 -0.72 0.04 0.00 0.00 0.00 0.00 53.44 52.77 1gab n ALA 14 Cb 0.61 -0.48 0.47 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.22 1.13 0.00 0.00 2.04 -1.62 -1.01 117.51 117.84 1gab h ILE 15 Ca -0.47 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 64.80 1gab h ILE 15 Cb 1.84 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 1gab h ILE 15 CO -0.04 0.18 0.00 0.00 0.00 0.00 0.00 178.15 178.29 1gab n ALA 16 N -2.50 1.62 0.54 1.87 0.00 -0.82 -1.61 120.51 119.59 1gab n ALA 16 Ca -0.02 -0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.44 1gab n ALA 16 Cb 0.23 -1.18 -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 -1.35 2.26 -0.05 0.00 4.07 -0.39 -4.54 120.64 120.64 1gab n GLU 17 Ca 0.04 -0.51 -0.21 0.00 -0.06 0.00 0.00 57.16 56.43 1gab n GLU 17 Cb 0.10 -1.12 -0.13 0.00 -0.06 0.00 0.00 31.44 30.23 1gab n GLU 17 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1gab n LEU 18 N -0.47 2.67 0.25 4.31 7.99 -0.64 -3.05 117.00 128.07 1gab n LEU 18 Ca 0.04 0.12 0.18 0.00 -0.01 0.00 0.00 56.01 56.35 1gab n LEU 18 Cb 0.24 -1.04 0.90 0.00 -0.11 0.00 0.00 43.42 43.40 1gab n LEU 18 CO 0.17 0.83 1.15 0.07 -1.51 0.00 0.00 177.39 178.11 1gab h LYS 19 N -0.06 0.00 0.00 3.23 2.10 -1.71 0.18 116.57 120.31 1gab h LYS 19 Ca -0.48 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1gab h LYS 19 Cb 1.93 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.26 1gab h LYS 19 CO -0.00 0.00 -1.77 1.17 -2.00 0.00 0.00 179.45 176.85 1gab n LYS 20 N -3.46 0.65 0.12 0.07 4.81 -1.26 -4.15 118.16 114.95 1gab n LYS 20 Ca 0.00 -0.12 -0.01 0.00 -0.87 0.00 0.00 58.31 57.31 1gab n LYS 20 Cb 0.30 -1.59 0.10 0.00 0.02 0.00 0.00 35.03 33.86 1gab n LYS 20 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1gab h ALA 21 N 1.99 0.76 0.00 3.14 0.00 -0.61 -3.48 119.26 121.07 1gab h ALA 21 Ca -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1gab h ALA 21 Cb 1.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1gab h ALA 21 CO 0.00 0.83 0.00 0.41 0.00 0.00 0.00 179.25 180.49 1gab n GLY 22 N 0.67 3.72 3.68 0.00 0.00 -0.67 -5.08 105.19 107.51 1gab n GLY 22 Ca -0.00 -0.91 -0.59 0.00 0.00 0.00 0.00 46.02 44.52 1gab n GLY 22 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1gab n ILE 23 N 0.00 0.15 -0.50 -0.61 5.41 -1.24 -4.80 119.36 117.77 1gab n ILE 23 Ca 0.00 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1gab n ILE 23 Cb 0.00 -0.85 0.00 0.00 -0.71 0.00 0.00 39.64 38.08 1gab n ILE 23 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1gab n THR 24 N 3.77 0.58 -1.40 1.39 -2.24 -1.26 -4.28 114.28 110.84 1gab n THR 24 Ca 0.26 -0.59 -0.33 0.00 -2.27 0.00 0.00 64.05 61.12 1gab n THR 24 Cb 0.09 0.69 0.09 0.00 -2.10 0.00 0.00 70.33 69.10 1gab n THR 24 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1gab s SER 25 N -0.63 4.38 0.00 3.42 0.15 -1.26 -4.94 113.70 114.82 1gab s SER 25 Ca 0.01 2.11 0.19 0.00 0.70 0.00 0.00 55.95 58.95 1gab s SER 25 Cb 0.01 -2.56 0.01 0.00 -1.71 0.00 0.00 66.02 61.77 1gab s SER 25 CO 0.00 -2.13 0.97 -0.67 1.20 0.00 0.00 173.24 172.62 1gab n ASP 26 N -2.99 1.91 0.19 5.45 2.03 -1.26 -4.17 116.55 117.71 1gab n ASP 26 Ca 0.11 -1.45 0.13 0.00 0.52 0.00 0.00 54.79 54.10 1gab n ASP 26 Cb 0.52 0.41 0.35 0.00 -0.72 0.00 0.00 41.12 41.67 1gab n ASP 26 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1gab h PHE 27 N 2.30 0.00 0.05 -0.67 3.57 -1.98 -1.23 116.94 118.98 1gab h PHE 27 Ca 0.00 0.00 -0.38 0.00 3.53 0.00 0.00 57.97 61.12 1gab h PHE 27 Cb 0.66 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.35 1gab h PHE 27 CO 0.00 0.00 -2.22 0.66 -2.23 0.00 0.00 178.31 174.52 1gab n TYR 28 N -2.79 0.58 -0.02 0.41 4.01 -1.26 -3.44 117.16 114.65 1gab n TYR 28 Ca 0.04 0.13 -0.13 0.00 -0.16 0.00 0.00 57.90 57.78 1gab n TYR 28 Cb 0.44 -1.07 -0.10 0.00 -0.31 0.00 0.00 39.34 38.29 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 -0.08 0.01 0.19 -0.72 0.04 -1.72 -1.57 116.94 113.09 1gab h PHE 29 Ca -0.51 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.25 1gab h PHE 29 Cb 1.91 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 40.05 1gab h PHE 29 CO 0.05 0.56 -0.13 -0.97 -0.60 0.00 0.00 178.31 177.22 1gab h ASN 30 N -0.54 -0.32 0.19 2.17 -0.73 -1.44 -1.18 115.58 113.75 1gab h ASN 30 Ca 0.00 0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.19 1gab h ASN 30 Cb 0.56 0.10 -0.00 0.00 0.27 0.00 0.00 38.32 39.25 1gab h ASN 30 CO 0.00 -0.20 -0.02 0.00 -0.37 0.00 0.00 177.43 176.84 1gab h ALA 31 N 0.49 1.17 0.25 1.57 0.00 -1.63 -2.38 119.26 118.74 1gab h ALA 31 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1gab h ALA 31 Cb 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1gab h ALA 31 CO 0.01 0.03 -0.12 0.82 0.00 0.00 0.00 179.25 179.99 1gab h ILE 32 N 0.00 0.79 0.00 0.00 1.08 -0.16 -0.82 117.51 118.40 1gab h ILE 32 Ca -0.00 -0.69 0.00 0.00 -0.39 0.00 0.00 64.86 63.78 1gab h ILE 32 Cb 0.13 1.16 0.00 0.00 -3.07 0.00 0.00 36.82 35.04 1gab h ILE 32 CO 0.00 0.14 0.00 -0.46 -0.69 0.00 0.00 178.15 177.14 1gab n ASN 33 N -5.08 0.00 -0.08 1.72 6.94 -1.02 -2.23 115.26 115.52 1gab n ASN 33 Ca -0.09 -0.45 0.08 0.00 -0.02 0.00 0.00 54.58 54.10 1gab n ASN 33 Cb 0.25 -0.10 -0.07 0.00 -2.36 0.00 0.00 39.78 37.51 1gab n ASN 33 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1gab n LYS 34 N -1.10 1.81 0.00 -3.83 5.02 -0.92 -4.95 118.16 114.18 1gab n LYS 34 Ca 0.14 -0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1gab n LYS 34 Cb 0.10 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 1gab n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1gab n ALA 35 N -1.10 0.00 -0.01 7.82 0.00 -0.35 -5.02 120.51 121.86 1gab n ALA 35 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.47 1gab n ALA 35 Cb 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.71 1gab n ALA 35 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1gab n LYS 36 N 0.00 0.07 -1.65 0.00 5.02 -1.26 -5.01 118.16 115.33 1gab n LYS 36 Ca 0.00 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1gab n LYS 36 Cb 0.00 -0.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.58 1gab n LYS 36 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1gab n THR 37 N -2.87 0.00 0.11 -0.18 -2.24 -1.26 -4.73 114.28 103.10 1gab n THR 37 Ca -0.02 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.74 1gab n THR 37 Cb 0.07 -0.06 0.20 0.00 -2.10 0.00 0.00 70.33 68.44 1gab n THR 37 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1gab h VAL 38 N 0.80 1.36 0.00 2.28 2.07 -1.98 0.37 116.25 121.14 1gab h VAL 38 Ca 0.00 -1.76 -0.08 0.00 0.82 0.00 0.00 66.70 65.68 1gab h VAL 38 Cb 0.00 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1gab h VAL 38 CO 0.00 0.52 -0.37 -0.33 0.02 0.00 0.00 177.57 177.40 1gab h GLU 39 N 0.12 0.00 0.00 1.57 4.39 -1.98 -0.40 114.58 118.28 1gab h GLU 39 Ca 0.00 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 1gab h GLU 39 Cb 0.94 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.57 1gab h GLU 39 CO 0.07 0.37 -1.03 0.93 -1.16 0.00 0.00 179.01 178.20 1gab h GLU 40 N 0.00 0.00 0.00 2.33 3.07 -1.81 -2.35 114.58 115.82 1gab h GLU 40 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1gab h GLU 40 Cb 0.84 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.75 1gab h GLU 40 CO 0.05 0.52 0.00 0.28 -1.40 0.00 0.00 179.01 178.46 1gab n VAL 41 N -3.11 0.00 -0.17 3.13 0.31 0.07 -2.04 118.33 116.52 1gab n VAL 41 Ca -0.04 0.81 0.29 0.00 -0.01 0.00 0.00 64.34 65.38 1gab n VAL 41 Cb 0.84 -1.80 0.72 0.00 -0.91 0.00 0.00 33.84 32.69 1gab n VAL 41 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1gab h ASN 42 N 0.00 0.00 0.05 4.52 2.35 -1.26 0.14 115.58 121.39 1gab h ASN 42 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1gab h ASN 42 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1gab h ASN 42 CO 0.00 0.00 -0.03 0.00 -1.65 0.00 0.00 177.43 175.75 1gab h ALA 43 N 1.46 -0.07 -0.32 -0.83 0.00 -1.43 -1.59 119.26 116.48 1gab h ALA 43 Ca 0.43 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1gab h ALA 43 Cb 1.80 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 1gab h ALA 43 CO -0.00 -0.43 0.19 -0.07 0.00 0.00 0.00 179.25 178.94 1gab h LEU 44 N -0.29 0.39 -0.93 0.00 3.38 -0.14 -0.14 115.31 117.57 1gab h LEU 44 Ca -0.01 -0.06 0.09 0.00 0.09 0.00 0.00 57.88 57.99 1gab h LEU 44 Cb 0.26 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 1gab h LEU 44 CO 0.01 0.34 0.58 0.50 0.09 0.00 0.00 178.44 179.96 1gab h LYS 45 N 0.41 0.97 0.00 1.13 1.63 -1.29 0.12 116.57 119.55 1gab h LYS 45 Ca 0.11 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1gab h LYS 45 Cb 0.02 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.44 1gab h LYS 45 CO -0.02 0.64 0.00 -0.91 -3.45 0.00 0.00 179.45 175.71 1gab h ASN 46 N 1.00 0.00 1.31 4.20 2.35 -0.82 -2.92 115.58 120.70 1gab h ASN 46 Ca 0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.18 1gab h ASN 46 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1gab h ASN 46 CO -0.21 0.00 0.00 -0.08 -1.65 0.00 0.00 177.43 175.49 1gab h GLU 47 N 0.00 0.00 0.00 0.81 4.57 0.11 -2.57 114.58 117.50 1gab h GLU 47 Ca 0.00 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 1gab h GLU 47 Cb 0.77 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.35 1gab h GLU 47 CO 0.00 0.00 -0.33 0.82 -1.18 0.00 0.00 179.01 178.32 1gab h ILE 48 N 0.00 1.02 -0.87 2.32 5.03 -1.28 0.47 117.51 124.21 1gab h ILE 48 Ca 0.00 -1.24 0.05 0.00 -0.12 0.00 0.00 64.86 63.54 1gab h ILE 48 Cb 0.65 1.72 -0.05 0.00 -3.03 0.00 0.00 36.82 36.11 1gab h ILE 48 CO 0.00 0.33 0.57 -0.07 -0.68 0.00 0.00 178.15 178.30 1gab h LEU 49 N 0.00 0.90 -1.27 1.44 -0.00 -1.62 -1.36 115.31 113.41 1gab h LEU 49 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1gab h LEU 49 Cb 0.69 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 1gab h LEU 49 CO 0.04 0.60 0.00 0.29 -0.00 0.00 0.00 178.44 179.38 1gab n LYS 50 N -4.46 -0.07 -0.00 1.13 4.01 -1.03 -4.47 118.16 113.27 1gab n LYS 50 Ca 0.12 -0.89 0.10 0.00 -0.51 0.00 0.00 58.31 57.13 1gab n LYS 50 Cb 0.15 -1.12 -0.13 0.00 -0.51 0.00 0.00 35.03 33.42 1gab n LYS 50 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1gab n ALA 51 N 0.35 4.27 -3.15 7.82 0.00 0.16 -5.01 120.51 124.96 1gab n ALA 51 Ca 0.04 -0.56 -0.01 0.00 0.00 0.00 0.00 53.44 52.90 1gab n ALA 51 Cb 0.16 -0.74 -0.00 0.00 0.00 0.00 0.00 19.45 18.87 1gab n ALA 51 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1gab n HIS 52 N -1.65 -0.92 -0.95 0.00 1.44 -0.53 -4.98 115.22 107.63 1gab n HIS 52 Ca 0.02 -0.35 0.00 0.00 -2.01 0.00 0.00 57.72 55.39 1gab n HIS 52 Cb 0.37 0.12 0.00 0.00 0.12 0.00 0.00 29.99 30.60 1gab n HIS 52 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53