#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e9t n GLU 2 N 0.00 -3.16 -4.18 5.31 2.13 -1.26 -5.18 120.64 114.30 1e9t n GLU 2 Ca 0.00 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 1e9t n GLU 2 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.61 1e9t n GLU 2 CO 0.00 0.00 0.00 1.52 -0.41 0.00 0.00 177.13 178.24 1e9t s TYR 3 N -2.00 0.98 -0.30 4.31 1.13 -1.26 -5.14 117.35 115.07 1e9t s TYR 3 Ca 0.00 -1.09 -0.03 0.00 -1.41 0.00 0.00 57.07 54.54 1e9t s TYR 3 Cb 0.00 -0.57 0.19 0.00 -1.10 0.00 0.00 41.96 40.48 1e9t s TYR 3 CO 0.00 -0.33 0.75 0.54 -2.51 0.00 0.00 175.55 174.00 1e9t s VAL 4 N -3.82 -0.76 -0.29 -3.49 0.11 -1.26 -5.12 120.40 105.76 1e9t s VAL 4 Ca 0.21 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.27 1e9t s VAL 4 Cb 0.07 -0.90 0.20 0.00 -1.53 0.00 0.00 36.38 34.21 1e9t s VAL 4 CO 0.01 0.00 0.72 -0.83 -3.33 0.00 0.00 175.10 171.66 1e9t s GLY 5 N 2.88 -1.16 -0.00 6.54 0.00 -1.26 -4.79 107.32 109.54 1e9t s GLY 5 Ca 0.14 1.38 -0.00 0.00 0.00 0.00 0.00 44.72 46.25 1e9t s GLY 5 CO -0.21 3.79 -0.00 1.04 0.00 0.00 0.00 173.10 177.72 1e9t n LEU 6 N 5.34 2.46 0.00 0.66 7.99 -1.26 -4.98 117.00 127.21 1e9t n LEU 6 Ca 0.06 -0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.06 1e9t n LEU 6 Cb 0.55 -0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.86 1e9t n LEU 6 CO -0.09 0.41 0.00 -1.54 -1.51 0.00 0.00 177.39 174.67 1e9t n SER 7 N -2.59 0.00 0.00 -1.43 3.41 -1.26 -5.05 113.62 106.70 1e9t n SER 7 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1e9t n SER 7 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1e9t n SER 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1e9t n ALA 8 N 0.00 0.00 -0.02 7.33 0.00 -1.26 -4.93 120.51 121.63 1e9t n ALA 8 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1e9t n ALA 8 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1e9t n ALA 8 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1e9t h ASN 9 N 0.00 -0.75 0.21 0.00 -1.24 -1.96 1.14 115.58 112.99 1e9t h ASN 9 Ca 0.00 0.13 -0.03 0.00 0.71 0.00 0.00 56.30 57.10 1e9t h ASN 9 Cb 0.00 0.34 -0.00 0.00 0.73 0.00 0.00 38.32 39.38 1e9t h ASN 9 CO 0.00 -0.28 -0.16 0.06 -1.29 0.00 0.00 177.43 175.76 1e9t h GLN 10 N -0.28 0.00 -1.35 6.67 3.07 -1.90 -2.27 115.11 119.05 1e9t h GLN 10 Ca 0.11 0.00 -0.62 0.00 0.09 0.00 0.00 58.65 58.23 1e9t h GLN 10 Cb 0.45 0.00 -0.38 0.00 0.08 0.00 0.00 27.48 27.63 1e9t h GLN 10 CO -0.33 0.16 -0.22 0.00 0.09 0.00 0.00 178.83 178.53 1e9t n ALA 12 N -0.60 5.57 -2.13 0.00 0.00 0.37 -4.61 120.51 119.11 1e9t n ALA 12 Ca 0.46 -4.07 -0.33 0.00 0.00 0.00 0.00 53.44 49.50 1e9t n ALA 12 Cb 0.66 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.05 1e9t n ALA 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1e9t s VAL 13 N -5.15 4.66 -2.00 0.00 1.01 -1.26 -4.94 120.40 112.71 1e9t s VAL 13 Ca 0.52 1.01 0.21 0.00 0.00 0.00 0.00 61.98 63.71 1e9t s VAL 13 Cb 0.42 -3.65 0.59 0.00 0.00 0.00 0.00 36.38 33.75 1e9t s VAL 13 CO -0.18 -0.12 1.66 -0.81 0.00 0.00 0.00 175.10 175.64 1e9t n PRO 14 N -0.19 0.75 0.00 2.72 -0.04 -1.26 -4.83 135.00 132.15 1e9t n PRO 14 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1e9t n PRO 14 Cb 0.53 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1e9t n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1e9t n ALA 15 N -0.93 0.00 0.43 0.55 0.00 -1.26 -4.76 120.51 114.53 1e9t n ALA 15 Ca 0.16 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.65 1e9t n ALA 15 Cb 0.07 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.72 1e9t n ALA 15 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1e9t n LYS 16 N -1.00 2.39 -0.27 0.00 -0.00 -1.26 -3.40 118.16 114.62 1e9t n LYS 16 Ca 0.00 -1.57 0.01 0.00 -0.00 0.00 0.00 58.31 56.75 1e9t n LYS 16 Cb 0.00 -1.54 0.01 0.00 -0.00 0.00 0.00 35.03 33.51 1e9t n LYS 16 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1e9t n ASP 17 N 0.57 0.36 -4.65 -5.58 9.92 -1.26 -5.06 116.55 110.86 1e9t n ASP 17 Ca 0.14 -1.80 -0.43 0.00 -0.53 0.00 0.00 54.79 52.18 1e9t n ASP 17 Cb 0.50 -0.15 -0.02 0.00 -0.64 0.00 0.00 41.12 40.81 1e9t n ASP 17 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1e9t s ARG 18 N -0.36 4.13 0.00 -1.24 1.81 -1.22 -4.87 118.95 117.21 1e9t s ARG 18 Ca 0.03 1.48 0.29 0.00 -1.72 0.00 0.00 55.73 55.81 1e9t s ARG 18 Cb 0.03 -3.79 1.17 0.00 -0.45 0.00 0.00 34.95 31.91 1e9t s ARG 18 CO 0.00 -0.84 1.87 0.28 -0.68 0.00 0.00 175.30 175.93 1e9t n VAL 19 N 5.65 0.00 -2.20 3.52 0.31 -1.26 -4.90 118.33 119.45 1e9t n VAL 19 Ca 0.14 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 1e9t n VAL 19 Cb 0.46 -0.37 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 1e9t n VAL 19 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1e9t n ASP 20 N -1.44 -8.98 0.18 4.52 2.03 -1.26 -4.84 116.55 106.77 1e9t n ASP 20 Ca 0.08 1.58 0.12 0.00 0.52 0.00 0.00 54.79 57.09 1e9t n ASP 20 Cb 0.32 -5.08 0.12 0.00 -0.72 0.00 0.00 41.12 35.76 1e9t n ASP 20 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1e9t n GLY 22 N 1.13 -4.03 2.97 0.00 0.00 -1.26 -5.04 105.19 98.97 1e9t n GLY 22 Ca 0.03 0.46 -0.10 0.00 0.00 0.00 0.00 46.02 46.41 1e9t n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1e9t s TYR 23 N -0.95 0.27 0.00 1.61 2.02 -1.26 -5.10 117.35 113.94 1e9t s TYR 23 Ca -0.05 -0.44 0.00 0.00 -0.37 0.00 0.00 57.07 56.21 1e9t s TYR 23 Cb 0.00 -0.19 0.00 0.00 -0.40 0.00 0.00 41.96 41.38 1e9t s TYR 23 CO 0.54 -0.15 0.17 -0.35 -1.57 0.00 0.00 175.55 174.19 1e9t n PRO 24 N 1.83 0.00 -2.86 -1.71 -0.04 -1.26 -4.48 135.00 126.49 1e9t n PRO 24 Ca -0.22 0.19 -0.44 0.00 -0.04 0.00 0.00 63.50 62.99 1e9t n PRO 24 Cb 0.56 -0.81 -0.01 0.00 -0.04 0.00 0.00 33.50 33.20 1e9t n PRO 24 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1e9t s HIS 25 N -0.71 3.22 -0.08 0.54 -3.43 -1.26 -4.98 115.29 108.59 1e9t s HIS 25 Ca 0.00 -1.77 -0.15 0.00 -0.80 0.00 0.00 55.06 52.34 1e9t s HIS 25 Cb 0.00 -4.40 -0.05 0.00 -1.43 0.00 0.00 32.58 26.70 1e9t s HIS 25 CO 0.00 -1.52 0.37 0.14 -2.00 0.00 0.00 174.74 171.73 1e9t s VAL 26 N 2.52 5.17 0.25 -5.38 -7.23 -1.26 -4.33 120.40 110.14 1e9t s VAL 26 Ca 0.42 0.74 -0.11 0.00 -1.81 0.00 0.00 61.98 61.22 1e9t s VAL 26 Cb -0.02 -3.69 -0.01 0.00 0.56 0.00 0.00 36.38 33.22 1e9t s VAL 26 CO -0.02 0.47 0.45 0.42 -0.31 0.00 0.00 175.10 176.11 1e9t s THR 27 N -0.26 0.00 0.00 5.32 -4.23 -1.26 -4.80 115.64 110.41 1e9t s THR 27 Ca 0.22 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 1e9t s THR 27 Cb -0.15 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.41 1e9t s THR 27 CO 0.09 0.00 1.43 -0.81 -0.54 0.00 0.00 174.62 174.80 1e9t n PRO 28 N -0.39 0.75 0.00 3.99 -0.04 -1.26 -1.54 135.00 136.51 1e9t n PRO 28 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1e9t n PRO 28 Cb 0.62 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 1e9t n PRO 28 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1e9t n LYS 29 N 1.54 0.00 0.05 0.54 0.00 -1.26 -4.91 118.16 114.12 1e9t n LYS 29 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 58.31 58.12 1e9t n LYS 29 Cb 0.37 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.31 1e9t n LYS 29 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1e9t h GLU 30 N 0.00 0.63 0.00 1.64 4.81 -1.87 0.17 114.58 119.95 1e9t h GLU 30 Ca 0.00 -0.70 -0.13 0.00 -0.13 0.00 0.00 59.36 58.40 1e9t h GLU 30 Cb 0.00 0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1e9t h GLU 30 CO 0.00 1.29 -0.63 0.00 -0.73 0.00 0.00 179.01 178.94 1e9t n ASN 32 N -3.72 2.30 -0.11 0.00 6.94 -1.19 -3.55 115.26 115.93 1e9t n ASN 32 Ca -0.01 -1.78 -0.16 0.00 -0.02 0.00 0.00 54.58 52.61 1e9t n ASN 32 Cb 0.64 -0.09 -0.10 0.00 -2.36 0.00 0.00 39.78 37.87 1e9t n ASN 32 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1e9t n ASN 33 N 0.76 2.28 0.11 0.53 5.15 0.57 -4.39 115.26 120.27 1e9t n ASN 33 Ca 0.17 -0.09 0.11 0.00 -0.60 0.00 0.00 54.58 54.16 1e9t n ASN 33 Cb 0.45 -0.36 0.60 0.00 -0.53 0.00 0.00 39.78 39.94 1e9t n ASN 33 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1e9t h ARG 34 N -0.05 0.15 0.00 1.20 1.12 -1.11 -3.45 114.38 112.23 1e9t h ARG 34 Ca -0.49 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.37 1e9t h ARG 34 Cb 1.73 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 31.66 1e9t h ARG 34 CO -0.09 0.10 0.00 0.41 -3.11 0.00 0.00 179.97 177.28 1e9t n GLY 35 N -1.55 0.51 0.00 2.80 0.00 -1.26 -5.13 105.19 100.57 1e9t n GLY 35 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1e9t n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e9t s PHE 38 N -1.48 2.25 -0.29 0.00 5.36 -1.26 -1.55 117.98 121.00 1e9t s PHE 38 Ca 0.18 -0.78 -0.27 0.00 -0.96 0.00 0.00 56.93 55.11 1e9t s PHE 38 Cb -0.09 -1.73 0.19 0.00 -0.34 0.00 0.00 43.02 41.05 1e9t s PHE 38 CO 0.08 0.32 1.42 0.34 -1.46 0.00 0.00 175.22 175.92 1e9t s ASP 39 N -3.81 -0.03 -0.01 6.13 2.15 -0.42 -4.85 116.67 115.82 1e9t s ASP 39 Ca 0.24 0.06 0.02 0.00 0.43 0.00 0.00 52.55 53.30 1e9t s ASP 39 Cb 0.06 0.05 0.03 0.00 -0.30 0.00 0.00 42.92 42.76 1e9t s ASP 39 CO 0.13 -0.02 0.79 -1.54 -0.17 0.00 0.00 175.17 174.36 1e9t n SER 40 N 1.13 0.57 -0.03 -0.34 3.41 -1.26 -4.32 113.62 112.79 1e9t n SER 40 Ca -0.06 -1.66 -0.09 0.00 -0.26 0.00 0.00 58.87 56.80 1e9t n SER 40 Cb 0.58 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 1e9t n SER 40 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1e9t h ARG 41 N 0.00 0.04 -3.28 4.33 1.12 -1.96 -3.43 114.38 111.20 1e9t h ARG 41 Ca 0.00 -0.00 -0.20 0.00 -1.11 0.00 0.00 59.98 58.67 1e9t h ARG 41 Cb 1.03 -0.01 -0.28 0.00 -0.01 0.00 0.00 29.97 30.70 1e9t h ARG 41 CO 0.00 0.03 -0.53 0.96 -3.11 0.00 0.00 179.97 177.31 1e9t s ILE 42 N -6.19 -0.01 0.12 1.20 -5.25 -1.26 -5.04 121.20 104.76 1e9t s ILE 42 Ca -0.13 0.05 -0.07 0.00 -0.99 0.00 0.00 60.65 59.51 1e9t s ILE 42 Cb 0.09 -0.26 -0.17 0.00 2.95 0.00 0.00 42.46 45.07 1e9t s ILE 42 CO 0.68 0.02 1.31 1.55 -1.79 0.00 0.00 174.94 176.71 1e9t h PRO 43 N 6.30 0.54 -0.89 0.37 0.13 -1.95 -3.27 132.00 133.23 1e9t h PRO 43 Ca -0.30 -0.52 0.29 0.00 -0.87 0.00 0.00 66.00 64.59 1e9t h PRO 43 Cb 1.18 0.14 -0.16 0.00 0.13 0.00 0.00 31.00 32.28 1e9t h PRO 43 CO 0.40 1.15 0.18 0.41 -0.23 0.00 0.00 178.00 179.92 1e9t n GLY 44 N 0.86 -1.02 3.96 1.56 0.00 -1.26 -4.35 105.19 104.94 1e9t n GLY 44 Ca -0.07 0.82 -0.22 0.00 0.00 0.00 0.00 46.02 46.54 1e9t n GLY 44 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1e9t s VAL 45 N -5.68 2.69 -0.94 1.61 -7.23 -1.23 -4.98 120.40 104.64 1e9t s VAL 45 Ca -0.10 -0.54 -0.24 0.00 -1.81 0.00 0.00 61.98 59.29 1e9t s VAL 45 Cb 0.28 -3.05 0.00 0.00 0.56 0.00 0.00 36.38 34.17 1e9t s VAL 45 CO 0.69 -0.04 1.68 -2.16 -0.31 0.00 0.00 175.10 174.97 1e9t s PRO 46 N -4.87 3.07 0.09 4.82 0.04 -1.26 -4.84 135.00 132.05 1e9t s PRO 46 Ca 0.57 -0.64 -0.11 0.00 0.04 0.00 0.00 61.00 60.86 1e9t s PRO 46 Cb -0.10 -5.14 0.05 0.00 0.04 0.00 0.00 34.50 29.35 1e9t s PRO 46 CO 0.40 -2.75 0.71 0.91 0.04 0.00 0.00 177.00 176.31 1e9t n TRP 47 N 11.33 -0.08 -3.12 0.56 7.02 -1.26 -3.21 117.44 128.67 1e9t n TRP 47 Ca 0.34 0.57 -0.41 0.00 -1.02 0.00 0.00 57.50 56.99 1e9t n TRP 47 Cb 0.49 -0.61 -0.06 0.00 -2.42 0.00 0.00 31.31 28.70 1e9t n TRP 47 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1e9t s PHE 49 N 2.49 0.65 0.89 0.00 -0.12 -0.60 -1.60 117.98 119.70 1e9t s PHE 49 Ca 0.26 -1.05 -0.11 0.00 -0.05 0.00 0.00 56.93 55.98 1e9t s PHE 49 Cb -0.15 -0.33 0.13 0.00 -0.63 0.00 0.00 43.02 42.03 1e9t s PHE 49 CO 0.09 -0.56 1.09 0.15 -0.05 0.00 0.00 175.22 175.94 1e9t s LYS 50 N -4.00 1.27 -0.10 1.99 1.02 -1.26 -1.94 119.74 116.72 1e9t s LYS 50 Ca 0.19 1.00 -0.30 0.00 0.02 0.00 0.00 55.97 56.88 1e9t s LYS 50 Cb 0.06 -1.80 -0.03 0.00 -0.52 0.00 0.00 37.83 35.55 1e9t s LYS 50 CO -0.01 -2.28 1.24 -1.25 -0.92 0.00 0.00 175.35 172.13 1e9t s PRO 51 N -4.85 4.30 0.11 -1.68 0.04 -1.26 -4.77 135.00 126.89 1e9t s PRO 51 Ca 0.64 1.69 -0.18 0.00 0.04 0.00 0.00 61.00 63.19 1e9t s PRO 51 Cb -0.19 -3.64 -0.11 0.00 0.04 0.00 0.00 34.50 30.60 1e9t s PRO 51 CO 0.57 -0.56 0.36 -0.11 0.04 0.00 0.00 177.00 177.31 1e9t n LEU 52 N 5.78 -0.69 -3.93 -3.56 0.00 0.53 -4.51 117.00 110.62 1e9t n LEU 52 Ca 0.12 0.70 -0.36 0.00 0.00 0.00 0.00 56.01 56.48 1e9t n LEU 52 Cb 0.45 -0.59 -0.09 0.00 0.00 0.00 0.00 43.42 43.20 1e9t n LEU 52 CO 0.56 -1.78 1.62 0.00 0.00 0.00 0.00 177.39 177.78 1e9t n GLN 53 N 0.66 0.81 -1.73 1.96 3.00 -1.26 -4.86 117.38 115.95 1e9t n GLN 53 Ca 0.11 -1.68 -0.63 0.00 -0.01 0.00 0.00 57.00 54.79 1e9t n GLN 53 Cb 0.14 -3.12 -0.09 0.00 0.00 0.00 0.00 30.24 27.18 1e9t n GLN 53 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1e9t n GLU 54 N 7.76 0.52 -3.15 -1.09 0.28 -1.26 -4.90 120.64 118.80 1e9t n GLU 54 Ca 0.46 0.19 0.04 0.00 -0.16 0.00 0.00 57.16 57.70 1e9t n GLU 54 Cb 0.43 -1.77 -0.00 0.00 1.43 0.00 0.00 31.44 31.52 1e9t n GLU 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1e9t s ALA 55 N 3.23 -2.62 0.54 -1.84 0.00 -1.26 -5.15 121.76 114.66 1e9t s ALA 55 Ca 1.02 1.39 -0.21 0.00 0.00 0.00 0.00 51.96 54.16 1e9t s ALA 55 Cb -1.31 -2.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.32 1e9t s ALA 55 CO 0.75 -1.66 1.25 -1.21 0.00 0.00 0.00 175.76 174.89 1e9t s GLU 56 N 2.86 3.24 -0.36 0.00 2.02 -1.26 -4.97 118.70 120.23 1e9t s GLU 56 Ca 0.15 1.97 0.01 0.00 0.02 0.00 0.00 54.97 57.11 1e9t s GLU 56 Cb -0.11 -2.18 0.29 0.00 0.10 0.00 0.00 34.13 32.23 1e9t s GLU 56 CO -0.23 -1.03 1.22 0.00 0.02 0.00 0.00 175.26 175.24 1e9t s THR 58 N 0.19 3.87 0.00 0.00 -1.32 -1.26 -5.35 115.64 111.76 1e9t s THR 58 Ca 0.25 -0.44 0.00 0.00 -1.21 0.00 0.00 61.69 60.29 1e9t s THR 58 Cb 0.24 -2.60 0.00 0.00 -1.51 0.00 0.00 72.50 68.63 1e9t s THR 58 CO -0.14 0.58 0.00 0.33 -2.21 0.00 0.00 174.62 173.19