#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9s s SER 2 N 0.00 4.63 -0.31 1.61 0.15 -1.26 -5.13 113.70 113.39 2d9s s SER 2 Ca 0.00 -1.14 -0.03 0.00 0.70 0.00 0.00 55.95 55.48 2d9s s SER 2 Cb 0.00 0.03 0.11 0.00 -1.71 0.00 0.00 66.02 64.45 2d9s s SER 2 CO 0.00 -0.87 0.15 -0.55 1.20 0.00 0.00 173.24 173.17 2d9s s SER 3 N -4.14 3.44 -0.06 5.45 0.15 -1.26 -5.09 113.70 112.19 2d9s s SER 3 Ca 0.37 -1.53 -0.30 0.00 0.70 0.00 0.00 55.95 55.18 2d9s s SER 3 Cb -0.01 -0.40 0.11 0.00 -1.71 0.00 0.00 66.02 64.01 2d9s s SER 3 CO 0.22 -0.41 1.35 -0.83 1.20 0.00 0.00 173.24 174.77 2d9s s GLY 4 N 1.81 -0.26 -0.73 9.45 0.00 -1.26 -5.10 107.32 111.23 2d9s s GLY 4 Ca 0.11 0.34 -0.30 0.00 0.00 0.00 0.00 44.72 44.86 2d9s s GLY 4 CO -0.27 4.39 2.52 -1.14 0.00 0.00 0.00 173.10 178.60 2d9s n SER 5 N -0.87 1.23 -4.46 1.64 3.41 -1.26 -4.80 113.62 108.51 2d9s n SER 5 Ca 0.01 -0.02 -0.48 0.00 -0.26 0.00 0.00 58.87 58.12 2d9s n SER 5 Cb 0.60 -1.19 -0.07 0.00 -0.26 0.00 0.00 64.21 63.28 2d9s n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2d9s n SER 6 N 12.22 1.98 -4.32 4.04 3.41 -1.26 -4.97 113.62 124.73 2d9s n SER 6 Ca 0.53 0.28 -0.30 0.00 -0.26 0.00 0.00 58.87 59.12 2d9s n SER 6 Cb 0.23 -1.27 0.17 0.00 -0.26 0.00 0.00 64.21 63.08 2d9s n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2d9s s GLY 7 N 8.03 1.71 0.24 5.00 0.00 -1.26 -4.98 107.32 116.06 2d9s s GLY 7 Ca 1.11 -1.01 -0.31 0.00 0.00 0.00 0.00 44.72 44.51 2d9s s GLY 7 CO 0.46 -0.30 1.45 -0.18 0.00 0.00 0.00 173.10 174.53 2d9s n GLN 8 N -3.77 2.15 0.17 2.90 -0.06 -1.26 -4.88 117.38 112.64 2d9s n GLN 8 Ca 0.13 0.77 0.05 0.00 -2.00 0.00 0.00 57.00 55.95 2d9s n GLN 8 Cb 0.60 -2.45 0.52 0.00 -4.06 0.00 0.00 30.24 24.84 2d9s n GLN 8 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 2d9s h LEU 9 N 4.45 0.14 -0.17 1.69 5.85 -2.00 -1.92 115.31 123.36 2d9s h LEU 9 Ca -0.45 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2d9s h LEU 9 Cb 1.27 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.26 2d9s h LEU 9 CO 0.77 0.19 0.00 -1.54 -0.34 0.00 0.00 178.44 177.52 2d9s n SER 10 N -4.42 0.08 0.14 1.25 3.41 -1.26 -1.46 113.62 111.35 2d9s n SER 10 Ca -0.01 0.53 0.01 0.00 -0.26 0.00 0.00 58.87 59.14 2d9s n SER 10 Cb 0.16 -0.54 0.34 0.00 -0.26 0.00 0.00 64.21 63.90 2d9s n SER 10 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2d9s h SER 11 N 0.00 0.16 1.29 4.04 0.02 -1.71 -2.49 113.55 114.86 2d9s h SER 11 Ca 0.00 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.83 2d9s h SER 11 Cb 0.08 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2d9s h SER 11 CO 0.00 0.44 -0.34 -0.33 -1.14 0.00 0.00 176.83 175.46 2d9s h GLU 12 N 0.15 0.00 -0.61 3.45 4.39 -1.46 -3.16 114.58 117.34 2d9s h GLU 12 Ca 0.02 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 2d9s h GLU 12 Cb 0.57 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.19 2d9s h GLU 12 CO 0.04 0.34 0.29 0.82 -1.16 0.00 0.00 179.01 179.34 2d9s h ILE 13 N 0.00 1.21 -0.02 3.13 2.04 -1.56 0.03 117.51 122.35 2d9s h ILE 13 Ca -0.00 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 2d9s h ILE 13 Cb 1.07 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 2d9s h ILE 13 CO 0.04 0.24 -0.12 -0.33 0.00 0.00 0.00 178.15 177.99 2d9s h GLU 14 N 0.83 0.03 0.08 2.37 5.08 -1.57 -0.76 114.58 120.64 2d9s h GLU 14 Ca 0.21 -0.01 -0.25 0.00 -1.00 0.00 0.00 59.36 58.31 2d9s h GLU 14 Cb 0.12 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2d9s h GLU 14 CO -0.03 0.16 -1.13 0.00 -1.00 0.00 0.00 179.01 177.01 2d9s h ARG 15 N 0.03 0.24 0.00 2.33 2.47 -1.31 -3.24 114.38 114.91 2d9s h ARG 15 Ca 0.01 -0.37 -0.11 0.00 -1.26 0.00 0.00 59.98 58.25 2d9s h ARG 15 Cb 0.23 0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.67 2d9s h ARG 15 CO 0.02 1.15 -0.50 -0.07 0.56 0.00 0.00 179.97 181.12 2d9s h LEU 16 N 0.09 0.00 -0.57 3.04 3.38 -0.21 -2.86 115.31 118.17 2d9s h LEU 16 Ca -0.10 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.90 2d9s h LEU 16 Cb 1.85 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.56 2d9s h LEU 16 CO 0.18 0.50 0.34 0.24 0.09 0.00 0.00 178.44 179.80 2d9s h MET 17 N 0.00 0.65 0.00 1.13 2.86 -1.19 -0.68 114.93 117.69 2d9s h MET 17 Ca -0.01 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2d9s h MET 17 Cb 0.94 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.46 2d9s h MET 17 CO 0.07 0.43 -0.04 1.03 1.06 0.00 0.00 176.91 179.45 2d9s h SER 18 N 0.67 0.00 0.30 1.22 0.87 -1.58 -1.16 113.55 113.86 2d9s h SER 18 Ca 0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2d9s h SER 18 Cb 0.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 2d9s h SER 18 CO -0.11 0.04 0.00 0.00 -0.53 0.00 0.00 176.83 176.23 2d9s n GLN 19 N -3.60 0.46 -0.17 2.24 1.13 -0.26 -4.86 117.38 112.32 2d9s n GLN 19 Ca -0.02 0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 2d9s n GLN 19 Cb 0.14 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.99 2d9s n GLN 19 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2d9s n GLY 20 N 0.62 0.59 3.72 1.08 0.00 -0.44 -4.13 105.19 106.63 2d9s n GLY 20 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2d9s n GLY 20 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2d9s s TYR 21 N -2.33 3.68 0.63 1.61 2.02 -1.23 -3.85 117.35 117.87 2d9s s TYR 21 Ca 0.00 1.64 -0.16 0.00 -0.37 0.00 0.00 57.07 58.18 2d9s s TYR 21 Cb 0.00 -3.05 -0.02 0.00 -0.40 0.00 0.00 41.96 38.50 2d9s s TYR 21 CO 0.00 0.05 1.10 -1.12 -1.57 0.00 0.00 175.55 174.01 2d9s s SER 22 N 0.76 5.33 0.41 2.29 0.01 -1.26 -4.31 113.70 116.93 2d9s s SER 22 Ca 0.48 1.98 0.15 0.00 1.31 0.00 0.00 55.95 59.87 2d9s s SER 22 Cb -0.21 -2.55 1.00 0.00 0.21 0.00 0.00 66.02 64.47 2d9s s SER 22 CO 0.27 -1.48 1.89 0.22 0.41 0.00 0.00 173.24 174.54 2d9s h TYR 23 N 0.27 0.59 0.38 2.43 3.20 -1.96 -1.65 116.97 120.23 2d9s h TYR 23 Ca -0.47 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.40 2d9s h TYR 23 Cb 1.24 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.33 2d9s h TYR 23 CO 0.55 0.20 -0.18 1.96 -1.64 0.00 0.00 178.16 179.05 2d9s h GLN 24 N 0.48 -0.49 0.02 1.82 7.50 -1.99 -0.37 115.11 122.08 2d9s h GLN 24 Ca 0.42 0.03 0.01 0.00 0.50 0.00 0.00 58.65 59.62 2d9s h GLN 24 Cb 0.92 0.11 -0.02 0.00 0.05 0.00 0.00 27.48 28.54 2d9s h GLN 24 CO -0.16 -0.32 -0.09 -0.44 -1.50 0.00 0.00 178.83 176.32 2d9s h ASP 25 N -0.53 -0.25 -0.32 1.46 5.19 -1.70 -0.29 116.42 119.98 2d9s h ASP 25 Ca -0.05 0.04 0.06 0.00 -0.62 0.00 0.00 57.03 56.45 2d9s h ASP 25 Cb 0.40 0.10 -0.05 0.00 0.18 0.00 0.00 39.33 39.97 2d9s h ASP 25 CO 0.09 -0.13 0.00 0.40 -3.12 0.00 0.00 179.24 176.48 2d9s h ILE 26 N -0.16 0.77 0.51 0.35 2.04 -1.26 -0.93 117.51 118.82 2d9s h ILE 26 Ca 0.03 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 2d9s h ILE 26 Cb 0.20 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2d9s h ILE 26 CO -0.08 0.02 -0.24 1.56 0.00 0.00 0.00 178.15 179.41 2d9s h GLN 27 N 0.10 -0.66 -0.76 2.37 1.08 -0.80 -2.42 115.11 114.03 2d9s h GLN 27 Ca 0.15 0.04 0.16 0.00 -1.45 0.00 0.00 58.65 57.56 2d9s h GLN 27 Cb 0.21 0.15 -0.11 0.00 -0.05 0.00 0.00 27.48 27.68 2d9s h GLN 27 CO -0.26 -0.42 0.24 0.87 -0.95 0.00 0.00 178.83 178.31 2d9s h LYS 28 N -0.71 0.33 -0.83 1.46 1.57 -0.71 -0.06 116.57 117.62 2d9s h LYS 28 Ca -0.07 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2d9s h LYS 28 Cb 0.53 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 2d9s h LYS 28 CO 0.11 0.22 0.44 0.00 -0.57 0.00 0.00 179.45 179.66 2d9s h ALA 29 N 1.60 1.07 0.20 3.86 0.00 -1.02 -1.74 119.26 123.22 2d9s h ALA 29 Ca 0.43 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2d9s h ALA 29 Cb 0.72 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2d9s h ALA 29 CO -0.47 0.59 -0.09 -0.07 0.00 0.00 0.00 179.25 179.20 2d9s h LEU 30 N 1.17 -0.22 -0.62 0.00 3.38 -0.54 -0.50 115.31 117.97 2d9s h LEU 30 Ca 0.29 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.18 2d9s h LEU 30 Cb 0.05 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 2d9s h LEU 30 CO -0.04 0.02 0.32 0.58 0.09 0.00 0.00 178.44 179.40 2d9s h VAL 31 N -0.47 0.92 0.00 1.22 2.07 -1.16 0.19 116.25 119.03 2d9s h VAL 31 Ca -0.03 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 2d9s h VAL 31 Cb 0.36 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2d9s h VAL 31 CO 0.04 0.11 -0.45 0.40 0.02 0.00 0.00 177.57 177.69 2d9s h ILE 32 N 0.58 1.02 -0.39 4.57 2.04 -1.29 -2.91 117.51 121.14 2d9s h ILE 32 Ca 0.29 -1.75 0.00 0.00 1.00 0.00 0.00 64.86 64.40 2d9s h ILE 32 Cb 0.23 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 2d9s h ILE 32 CO -0.21 0.44 0.00 0.00 0.00 0.00 0.00 178.15 178.39 2d9s n ALA 33 N -2.32 2.65 -3.74 1.87 0.00 -0.20 -4.91 120.51 113.86 2d9s n ALA 33 Ca -0.00 -0.81 -0.23 0.00 0.00 0.00 0.00 53.44 52.40 2d9s n ALA 33 Cb 0.56 -0.99 0.03 0.00 0.00 0.00 0.00 19.45 19.04 2d9s n ALA 33 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2d9s n HIS 34 N 0.61 -1.93 -0.98 0.00 8.25 -0.81 -1.61 115.22 118.75 2d9s n HIS 34 Ca 0.14 0.84 0.00 0.00 -0.26 0.00 0.00 57.72 58.44 2d9s n HIS 34 Cb 0.46 -4.30 0.00 0.00 1.12 0.00 0.00 29.99 27.27 2d9s n HIS 34 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2d9s n ASN 35 N -3.03 -5.75 -4.55 0.41 4.13 0.60 -4.94 115.26 102.13 2d9s n ASN 35 Ca -0.27 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.60 2d9s n ASN 35 Cb 0.66 -3.43 -0.03 0.00 -1.54 0.00 0.00 39.78 35.45 2d9s n ASN 35 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 2d9s s ASN 36 N -2.00 5.52 0.39 6.41 3.84 -0.63 -4.87 114.94 123.60 2d9s s ASN 36 Ca 0.00 0.19 0.06 0.00 0.21 0.00 0.00 52.86 53.32 2d9s s ASN 36 Cb 0.00 -2.54 0.80 0.00 -0.55 0.00 0.00 41.25 38.97 2d9s s ASN 36 CO 0.00 -2.21 2.02 -0.29 -2.79 0.00 0.00 177.10 173.83 2d9s h ILE 37 N 6.67 1.08 -0.71 -5.21 6.09 -1.92 0.86 117.51 124.38 2d9s h ILE 37 Ca -0.27 -0.22 -0.07 0.00 -1.37 0.00 0.00 64.86 62.93 2d9s h ILE 37 Cb 1.13 0.37 -0.03 0.00 0.47 0.00 0.00 36.82 38.77 2d9s h ILE 37 CO 1.23 0.12 0.17 -0.33 -3.07 0.00 0.00 178.15 176.26 2d9s h GLU 38 N 0.65 1.13 0.05 2.19 5.08 -1.98 -0.64 114.58 121.07 2d9s h GLU 38 Ca 0.21 -0.28 -0.19 0.00 -1.00 0.00 0.00 59.36 58.11 2d9s h GLU 38 Cb 0.05 -0.15 0.02 0.00 0.50 0.00 0.00 28.75 29.18 2d9s h GLU 38 CO -0.05 1.00 -0.78 1.98 -1.00 0.00 0.00 179.01 180.15 2d9s h MET 39 N 1.07 0.44 -0.66 2.33 4.05 -1.85 -3.24 114.93 117.07 2d9s h MET 39 Ca 0.22 -0.54 0.03 0.00 -0.28 0.00 0.00 59.70 59.13 2d9s h MET 39 Cb 0.38 0.17 -0.04 0.00 -0.80 0.00 0.00 31.60 31.31 2d9s h MET 39 CO 0.00 1.20 0.40 0.00 0.23 0.00 0.00 176.91 178.74 2d9s h ALA 40 N 0.26 0.86 -0.56 0.39 0.00 -0.71 -1.43 119.26 118.08 2d9s h ALA 40 Ca -0.11 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.82 2d9s h ALA 40 Cb 1.52 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 2d9s h ALA 40 CO 0.15 0.15 0.37 0.87 0.00 0.00 0.00 179.25 180.80 2d9s h LYS 41 N 0.79 0.61 -0.42 0.00 1.57 -1.20 -1.45 116.57 116.47 2d9s h LYS 41 Ca 0.27 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 2d9s h LYS 41 Cb 0.04 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 2d9s h LYS 41 CO -0.11 0.40 0.08 -0.91 -0.57 0.00 0.00 179.45 178.34 2d9s h ASN 42 N 0.62 0.65 -0.01 0.86 2.35 -1.29 -2.42 115.58 116.34 2d9s h ASN 42 Ca 0.23 -0.25 0.03 0.00 -0.55 0.00 0.00 56.30 55.76 2d9s h ASN 42 Cb 0.12 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.28 2d9s h ASN 42 CO -0.06 0.73 -0.24 0.40 -1.65 0.00 0.00 177.43 176.62 2d9s h ILE 43 N 0.55 0.45 0.00 2.81 2.04 -0.97 -1.25 117.51 121.13 2d9s h ILE 43 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.99 2d9s h ILE 43 Cb 0.35 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2d9s h ILE 43 CO 0.01 0.00 0.00 -0.07 0.00 0.00 0.00 178.15 178.09 2d9s h LEU 44 N -0.36 0.00 0.00 1.44 3.38 -1.30 -2.13 115.31 116.34 2d9s h LEU 44 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2d9s h LEU 44 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2d9s h LEU 44 CO -0.22 0.00 -0.64 -1.14 0.09 0.00 0.00 178.44 176.53 2d9s n ARG 45 N -2.33 2.63 -0.10 1.13 0.63 -0.56 -3.87 116.66 114.19 2d9s n ARG 45 Ca -0.01 -0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.80 2d9s n ARG 45 Cb 0.09 -1.12 -0.12 0.00 0.45 0.00 0.00 32.46 31.75 2d9s n ARG 45 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2d9s n GLU 46 N -1.32 0.83 0.00 -0.14 -0.58 -0.69 -4.88 120.64 113.86 2d9s n GLU 46 Ca 0.02 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 2d9s n GLU 46 Cb 0.21 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 2d9s n GLU 46 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2d9s n PHE 47 N -2.92 0.00 -0.49 -0.32 3.01 -0.83 -5.06 117.46 110.85 2d9s n PHE 47 Ca -0.35 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 57.82 2d9s n PHE 47 Cb 1.01 0.00 0.27 0.00 -0.01 0.00 0.00 39.48 40.75 2d9s n PHE 47 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2d9s s SER 48 N -1.84 -0.14 0.37 4.37 0.01 -1.25 -5.06 113.70 110.16 2d9s s SER 48 Ca 0.00 1.10 -0.09 0.00 1.31 0.00 0.00 55.95 58.27 2d9s s SER 48 Cb 0.00 -1.65 0.03 0.00 0.21 0.00 0.00 66.02 64.61 2d9s s SER 48 CO 0.00 -4.83 0.64 -0.83 0.41 0.00 0.00 173.24 168.63 2d9s s GLY 49 N -2.93 0.91 1.17 3.44 0.00 -1.26 -4.40 107.32 104.25 2d9s s GLY 49 Ca 0.69 -1.12 -0.19 0.00 0.00 0.00 0.00 44.72 44.09 2d9s s GLY 49 CO 0.61 -0.64 1.16 2.56 0.00 0.00 0.00 173.10 176.79 2d9s s PRO 50 N -2.65 -0.97 0.00 2.90 0.04 -1.26 -4.34 135.00 128.72 2d9s s PRO 50 Ca 0.23 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.07 2d9s s PRO 50 Cb -0.03 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.87 2d9s s PRO 50 CO 0.16 -3.52 0.00 0.45 0.04 0.00 0.00 177.00 174.13 2d9s n SER 51 N -4.60 0.00 -3.70 6.66 2.88 -1.25 -4.92 113.62 108.68 2d9s n SER 51 Ca 0.14 -0.96 -0.10 0.00 -1.33 0.00 0.00 58.87 56.63 2d9s n SER 51 Cb 0.60 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.00 2d9s n SER 51 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2d9s s SER 52 N -0.91 -0.12 0.00 -3.46 1.04 -1.26 -4.90 113.70 104.09 2d9s s SER 52 Ca 0.00 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.00 2d9s s SER 52 Cb 0.00 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.55 2d9s s SER 52 CO 0.00 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.02