#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hx2 n PHE 2 N 0.00 0.12 -1.61 3.10 1.16 -1.26 -4.94 117.46 114.03 1hx2 n PHE 2 Ca 0.00 -0.67 -0.46 0.00 -1.87 0.00 0.00 57.45 54.44 1hx2 n PHE 2 Cb 0.00 -0.34 -0.03 0.00 -1.61 0.00 0.00 39.48 37.50 1hx2 n PHE 2 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 1hx2 n VAL 3 N 0.66 1.26 -4.42 1.97 0.31 -1.26 -4.40 118.33 112.45 1hx2 n VAL 3 Ca 0.02 -0.31 -0.21 0.00 -0.01 0.00 0.00 64.34 63.83 1hx2 n VAL 3 Cb 0.54 -1.10 -0.10 0.00 -0.91 0.00 0.00 33.84 32.26 1hx2 n VAL 3 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hx2 s PRO 5 N -3.85 -0.15 0.15 0.00 0.02 -1.26 -4.86 135.00 125.05 1hx2 s PRO 5 Ca 0.34 0.17 -0.30 0.00 0.02 0.00 0.00 61.00 61.22 1hx2 s PRO 5 Cb 0.07 -1.70 -0.04 0.00 0.02 0.00 0.00 34.50 32.85 1hx2 s PRO 5 CO 0.13 -3.04 1.55 -1.00 -0.33 0.00 0.00 177.00 174.31 1hx2 h PRO 6 N -2.11 -0.23 -0.16 5.54 0.13 -2.02 -1.00 132.00 132.15 1hx2 h PRO 6 Ca -0.50 0.02 0.05 0.00 -0.87 0.00 0.00 66.00 64.70 1hx2 h PRO 6 Cb 1.31 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 1hx2 h PRO 6 CO 0.48 -0.16 0.40 0.78 -0.23 0.00 0.00 178.00 179.27 1hx2 h GLY 7 N -0.24 0.00 -2.47 1.56 0.00 -1.88 -3.41 103.07 96.62 1hx2 h GLY 7 Ca 0.14 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.88 1hx2 h GLY 7 CO -0.72 0.00 -0.70 1.20 0.00 0.00 0.00 176.54 176.32 1hx2 s GLN 8 N -4.29 2.02 0.18 4.80 -0.21 -0.38 -3.45 119.66 118.33 1hx2 s GLN 8 Ca -0.04 -1.56 -0.07 0.00 0.02 0.00 0.00 55.36 53.72 1hx2 s GLN 8 Cb 0.11 -2.00 0.03 0.00 1.00 0.00 0.00 33.01 32.15 1hx2 s GLN 8 CO 0.37 0.35 0.37 -2.37 -2.12 0.00 0.00 175.29 171.89 1hx2 n THR 9 N -0.72 0.00 -1.39 -0.19 5.66 -0.65 -4.46 114.28 112.53 1hx2 n THR 9 Ca -0.06 -0.45 -0.36 0.00 -3.05 0.00 0.00 64.05 60.13 1hx2 n THR 9 Cb 0.59 0.45 0.08 0.00 -1.55 0.00 0.00 70.33 69.91 1hx2 n THR 9 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 1hx2 n PHE 10 N -0.25 0.75 -3.67 1.09 7.35 -1.26 -0.72 117.46 120.76 1hx2 n PHE 10 Ca -0.04 0.40 -0.15 0.00 -0.76 0.00 0.00 57.45 56.89 1hx2 n PHE 10 Cb 0.27 -2.09 -0.15 0.00 0.35 0.00 0.00 39.48 37.86 1hx2 n PHE 10 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 1hx2 s GLN 11 N -3.32 0.08 -0.09 -4.13 2.00 0.18 -4.61 119.66 109.77 1hx2 s GLN 11 Ca 0.74 0.64 -0.26 0.00 -2.00 0.00 0.00 55.36 54.48 1hx2 s GLN 11 Cb -0.35 -0.18 -0.27 0.00 0.80 0.00 0.00 33.01 33.01 1hx2 s GLN 11 CO 0.50 -0.30 0.86 0.00 -0.50 0.00 0.00 175.29 175.85 1hx2 h THR 12 N 6.33 1.66 -3.51 -0.34 1.03 -1.79 -1.41 112.91 114.89 1hx2 h THR 12 Ca -0.14 -2.31 -0.68 0.00 -0.01 0.00 0.00 66.41 63.27 1hx2 h THR 12 Cb 1.12 3.21 -0.37 0.00 -1.07 0.00 0.00 68.15 71.03 1hx2 h THR 12 CO 0.14 0.62 -0.48 0.00 -0.01 0.00 0.00 175.52 175.79 1hx2 s ALA 14 N 0.14 -1.89 0.18 0.00 0.00 -0.90 -4.65 121.76 114.64 1hx2 s ALA 14 Ca 0.15 2.24 0.00 0.00 0.00 0.00 0.00 51.96 54.35 1hx2 s ALA 14 Cb -0.22 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.53 1hx2 s ALA 14 CO -0.03 -0.35 0.00 0.45 0.00 0.00 0.00 175.76 175.83 1hx2 n SER 15 N 3.57 0.00 -0.52 0.00 2.88 0.17 -0.83 113.62 118.91 1hx2 n SER 15 Ca -0.17 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.44 1hx2 n SER 15 Cb 0.57 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.23 1hx2 n SER 15 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1hx2 n SER 16 N 0.00 2.80 -4.14 -3.46 3.41 -1.26 -4.68 113.62 106.28 1hx2 n SER 16 Ca 0.00 -3.23 -0.40 0.00 -0.26 0.00 0.00 58.87 54.98 1hx2 n SER 16 Cb 0.00 -0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 63.42 1hx2 n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hx2 n PRO 18 N 2.23 1.94 -2.46 0.00 -0.04 -1.24 -4.04 135.00 131.40 1hx2 n PRO 18 Ca 0.24 0.68 -0.32 0.00 -0.04 0.00 0.00 63.50 64.05 1hx2 n PRO 18 Cb 0.37 -2.21 -0.04 0.00 -0.04 0.00 0.00 33.50 31.59 1hx2 n PRO 18 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1hx2 s LYS 19 N -1.81 3.95 0.28 0.54 -2.85 0.16 -4.87 119.74 115.15 1hx2 s LYS 19 Ca 0.56 0.92 -0.07 0.00 -1.00 0.00 0.00 55.97 56.39 1hx2 s LYS 19 Cb -0.60 -2.16 0.03 0.00 -2.06 0.00 0.00 37.83 33.04 1hx2 s LYS 19 CO 0.62 -0.24 0.49 0.25 0.10 0.00 0.00 175.35 176.57 1hx2 n THR 20 N -1.51 0.00 0.29 3.79 -2.24 -1.02 -1.71 114.28 111.89 1hx2 n THR 20 Ca 0.06 -1.02 0.19 0.00 -2.27 0.00 0.00 64.05 61.01 1hx2 n THR 20 Cb 0.54 0.78 0.99 0.00 -2.10 0.00 0.00 70.33 70.54 1hx2 n THR 20 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hx2 h GLU 22 N 0.00 0.00 -2.35 0.00 4.22 -1.88 -3.38 114.58 111.19 1hx2 h GLU 22 Ca 0.00 0.00 -0.54 0.00 0.08 0.00 0.00 59.36 58.90 1hx2 h GLU 22 Cb 0.07 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.21 1hx2 h GLU 22 CO 0.00 0.25 1.40 2.41 -2.18 0.00 0.00 179.01 180.89 1hx2 n THR 23 N -4.65 3.99 0.84 0.32 -1.04 -0.61 -4.59 114.28 108.55 1hx2 n THR 23 Ca -0.09 -3.01 0.12 0.00 -2.04 0.00 0.00 64.05 59.03 1hx2 n THR 23 Cb 0.26 -1.99 0.53 0.00 -1.82 0.00 0.00 70.33 67.30 1hx2 n THR 23 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1hx2 n ARG 24 N 1.91 0.02 -0.42 -2.82 1.74 -0.33 -2.44 116.66 114.32 1hx2 n ARG 24 Ca 0.57 0.09 0.37 0.00 -0.77 0.00 0.00 57.85 58.10 1hx2 n ARG 24 Cb 0.48 -1.52 0.57 0.00 -1.02 0.00 0.00 32.46 30.97 1hx2 n ARG 24 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1hx2 n ASN 25 N -1.55 0.00 -3.68 0.55 3.02 -1.26 -4.52 115.26 107.82 1hx2 n ASN 25 Ca 0.06 0.79 -0.15 0.00 -0.03 0.00 0.00 54.58 55.25 1hx2 n ASN 25 Cb 0.30 -0.34 -0.08 0.00 -0.61 0.00 0.00 39.78 39.05 1hx2 n ASN 25 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1hx2 s LYS 26 N -4.44 0.81 -0.25 3.52 0.00 -1.26 -5.05 119.74 113.07 1hx2 s LYS 26 Ca -0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 55.97 55.85 1hx2 s LYS 26 Cb 0.18 0.37 0.07 0.00 0.00 0.00 0.00 37.83 38.46 1hx2 s LYS 26 CO 0.61 -0.24 2.41 1.28 0.00 0.00 0.00 175.35 179.41 1hx2 n LEU 27 N 1.10 6.10 -3.74 2.77 4.32 -1.26 -4.78 117.00 121.51 1hx2 n LEU 27 Ca -0.21 -3.30 -0.14 0.00 -0.02 0.00 0.00 56.01 52.35 1hx2 n LEU 27 Cb 0.57 -1.16 -0.09 0.00 -1.62 0.00 0.00 43.42 41.12 1hx2 n LEU 27 CO 0.22 1.37 0.05 0.68 -1.22 0.00 0.00 177.39 178.49 1hx2 s VAL 28 N -1.42 0.05 0.22 4.08 -7.23 -1.26 -4.11 120.40 110.73 1hx2 s VAL 28 Ca 0.37 -0.38 -0.15 0.00 -1.81 0.00 0.00 61.98 60.01 1hx2 s VAL 28 Cb 0.24 -0.62 0.26 0.00 0.56 0.00 0.00 36.38 36.82 1hx2 s VAL 28 CO -0.05 -0.21 1.59 0.25 -0.31 0.00 0.00 175.10 176.36 1hx2 h LEU 29 N 4.03 -0.95 -8.24 1.32 6.46 -1.86 -3.38 115.31 112.69 1hx2 h LEU 29 Ca -0.29 0.24 -0.11 0.00 -0.12 0.00 0.00 57.88 57.60 1hx2 h LEU 29 Cb 1.18 0.55 -0.05 0.00 -0.73 0.00 0.00 40.66 41.60 1hx2 h LEU 29 CO 0.38 -0.28 0.02 0.00 -0.62 0.00 0.00 178.44 177.94 1hx2 n ASP 31 N -1.10 1.47 0.30 0.00 5.68 -1.26 -4.01 116.55 117.64 1hx2 n ASP 31 Ca -0.03 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.38 1hx2 n ASP 31 Cb 0.61 0.17 0.63 0.00 -1.14 0.00 0.00 41.12 41.39 1hx2 n ASP 31 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1hx2 h LYS 32 N 0.00 0.00 -3.32 0.11 2.10 -1.97 -3.42 116.57 110.07 1hx2 h LYS 32 Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.56 1hx2 h LYS 32 Cb 0.24 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 31.41 1hx2 h LYS 32 CO 0.00 0.00 -0.24 0.21 -2.00 0.00 0.00 179.45 177.42 1hx2 s LYS 33 N -3.91 0.82 -0.94 0.07 2.47 -1.26 -4.96 119.74 112.03 1hx2 s LYS 33 Ca -0.03 -0.53 -0.03 0.00 -1.56 0.00 0.00 55.97 53.83 1hx2 s LYS 33 Cb 0.07 0.36 0.23 0.00 -1.46 0.00 0.00 37.83 37.02 1hx2 s LYS 33 CO 0.21 -0.27 0.84 0.00 0.16 0.00 0.00 175.35 176.30 1hx2 s ASN 35 N 0.04 6.68 -1.23 0.00 0.01 -0.01 -4.55 114.94 115.89 1hx2 s ASN 35 Ca 0.28 0.81 -0.13 0.00 -0.71 0.00 0.00 52.86 53.12 1hx2 s ASN 35 Cb -0.07 -2.28 0.17 0.00 0.41 0.00 0.00 41.25 39.48 1hx2 s ASN 35 CO -0.12 0.02 1.56 0.00 -1.51 0.00 0.00 177.10 177.05 1hx2 n GLN 36 N 3.57 3.43 -1.97 -0.60 6.02 -1.14 -2.99 117.38 123.69 1hx2 n GLN 36 Ca -0.08 -3.76 0.00 0.00 -0.01 0.00 0.00 57.00 53.16 1hx2 n GLN 36 Cb 0.52 -3.02 0.00 0.00 1.02 0.00 0.00 30.24 28.76 1hx2 n GLN 36 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1hx2 n ARG 37 N 5.21 0.07 -0.55 -1.09 1.74 -0.53 -4.90 116.66 116.62 1hx2 n ARG 37 Ca 0.38 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 57.16 1hx2 n ARG 37 Cb 0.41 0.00 0.23 0.00 -1.02 0.00 0.00 32.46 32.08 1hx2 n ARG 37 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1hx2 n GLY 39 N 1.31 3.39 3.41 0.00 0.00 0.11 -4.42 105.19 108.99 1hx2 n GLY 39 Ca 0.03 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 1hx2 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hx2 s ILE 41 N -2.38 3.71 -0.81 0.00 1.01 -1.22 -4.60 121.20 116.90 1hx2 s ILE 41 Ca 0.59 0.58 -0.25 0.00 0.00 0.00 0.00 60.65 61.57 1hx2 s ILE 41 Cb -0.19 -3.20 0.01 0.00 0.01 0.00 0.00 42.46 39.08 1hx2 s ILE 41 CO 0.66 -0.70 1.61 -0.94 0.00 0.00 0.00 174.94 175.57 1hx2 s SER 42 N -3.52 5.80 0.00 3.58 1.04 -1.26 -1.41 113.70 117.94 1hx2 s SER 42 Ca 0.60 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.47 1hx2 s SER 42 Cb -0.16 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.41 1hx2 s SER 42 CO 0.53 -2.09 0.00 0.61 0.98 0.00 0.00 173.24 173.28 1hx2 n GLY 43 N 6.16 1.45 2.67 7.32 0.00 -1.26 -5.08 105.19 116.46 1hx2 n GLY 43 Ca 0.23 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 1hx2 n GLY 43 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hx2 n THR 44 N 0.00 0.00 -3.65 2.61 -2.24 -0.50 -4.07 114.28 106.43 1hx2 n THR 44 Ca 0.00 -1.26 -0.12 0.00 -2.27 0.00 0.00 64.05 60.40 1hx2 n THR 44 Cb 0.00 -0.76 -0.08 0.00 -2.10 0.00 0.00 70.33 67.39 1hx2 n THR 44 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1hx2 s VAL 45 N -1.61 -0.00 -0.49 2.28 -7.23 0.14 -4.69 120.40 108.80 1hx2 s VAL 45 Ca 0.43 0.01 -0.28 0.00 -1.81 0.00 0.00 61.98 60.33 1hx2 s VAL 45 Cb -0.03 -0.92 -0.09 0.00 0.56 0.00 0.00 36.38 35.90 1hx2 s VAL 45 CO 0.27 0.00 2.40 -0.11 -0.31 0.00 0.00 175.10 177.36 1hx2 n LEU 46 N 3.25 2.23 0.00 1.32 7.94 -0.69 -0.79 117.00 130.26 1hx2 n LEU 46 Ca -0.16 -0.25 0.00 0.00 -1.11 0.00 0.00 56.01 54.49 1hx2 n LEU 46 Cb 0.56 -1.48 0.00 0.00 0.53 0.00 0.00 43.42 43.03 1hx2 n LEU 46 CO 0.03 -1.28 0.00 1.17 -1.11 0.00 0.00 177.39 176.21 1hx2 n LYS 47 N 8.85 0.00 -4.40 1.96 4.81 -0.63 -3.43 118.16 125.32 1hx2 n LYS 47 Ca 0.39 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.61 1hx2 n LYS 47 Cb 0.45 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.42 1hx2 n LYS 47 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1hx2 s SER 48 N -3.32 2.16 0.57 3.14 0.01 -1.26 -3.71 113.70 111.29 1hx2 s SER 48 Ca 0.00 -1.67 0.45 0.00 1.31 0.00 0.00 55.95 56.04 1hx2 s SER 48 Cb 0.00 0.49 1.56 0.00 0.21 0.00 0.00 66.02 68.29 1hx2 s SER 48 CO 0.00 -0.96 1.52 0.50 0.41 0.00 0.00 173.24 174.71 1hx2 h LYS 49 N 1.99 0.00 0.00 12.44 3.64 -1.95 -2.97 116.57 129.72 1hx2 h LYS 49 Ca -0.32 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 58.87 1hx2 h LYS 49 Cb 1.26 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.94 1hx2 h LYS 49 CO 0.50 0.00 -0.26 -3.47 -2.27 0.00 0.00 179.45 173.94 1hx2 n ASP 50 N -3.79 -1.96 -2.69 4.20 2.03 -1.26 -4.95 116.55 108.14 1hx2 n ASP 50 Ca 0.40 -3.07 0.00 0.00 0.52 0.00 0.00 54.79 52.64 1hx2 n ASP 50 Cb 1.90 1.67 0.00 0.00 -0.72 0.00 0.00 41.12 43.97 1hx2 n ASP 50 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1hx2 n SER 51 N 0.40 0.00 -0.13 1.67 2.88 -1.12 -5.04 113.62 112.28 1hx2 n SER 51 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1hx2 n SER 51 Cb 0.72 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.18 1hx2 n SER 51 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1hx2 n SER 52 N 0.00 0.00 -3.82 -3.46 2.88 -1.26 -4.97 113.62 102.99 1hx2 n SER 52 Ca 0.00 -1.19 -0.12 0.00 -1.33 0.00 0.00 58.87 56.23 1hx2 n SER 52 Cb 0.00 -0.04 -0.13 0.00 -0.75 0.00 0.00 64.21 63.30 1hx2 n SER 52 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1hx2 s GLU 53 N 0.00 0.18 -0.10 -1.46 -6.30 -1.26 -4.65 118.70 105.12 1hx2 s GLU 53 Ca 0.00 0.18 0.00 0.00 -2.50 0.00 0.00 54.97 52.65 1hx2 s GLU 53 Cb 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 34.13 34.19 1hx2 s GLU 53 CO 0.00 -0.02 -0.09 0.00 0.02 0.00 0.00 175.26 175.16 1hx2 s VAL 55 N -0.28 2.38 0.62 0.00 -7.23 0.03 -4.71 120.40 111.20 1hx2 s VAL 55 Ca 0.03 -2.37 -0.14 0.00 -1.81 0.00 0.00 61.98 57.70 1hx2 s VAL 55 Cb -0.13 -2.26 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 1hx2 s VAL 55 CO 0.03 -0.41 1.04 -1.00 -0.31 0.00 0.00 175.10 174.44 1hx2 s HIS 56 N -2.54 3.20 0.55 2.82 3.76 -1.26 0.28 115.29 122.09 1hx2 s HIS 56 Ca 0.29 1.44 0.23 0.00 -0.15 0.00 0.00 55.06 56.87 1hx2 s HIS 56 Cb -0.05 -2.89 1.52 0.00 1.11 0.00 0.00 32.58 32.28 1hx2 s HIS 56 CO 0.14 -0.97 2.19 -1.00 -0.85 0.00 0.00 174.74 174.25 1hx2 h PRO 57 N 0.03 0.00 0.00 8.40 0.13 -1.89 -1.15 132.00 137.51 1hx2 h PRO 57 Ca -0.45 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 1hx2 h PRO 57 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1hx2 h PRO 57 CO 0.58 0.01 -0.31 0.66 -0.23 0.00 0.00 178.00 178.72 1hx2 h SER 58 N 0.00 0.00 0.01 1.44 4.64 -1.91 -3.23 113.55 114.50 1hx2 h SER 58 Ca -0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1hx2 h SER 58 Cb 0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 1hx2 h SER 58 CO 0.00 0.31 -0.83 0.11 -0.87 0.00 0.00 176.83 175.55 1hx2 h LYS 59 N 0.00 0.02 0.00 4.77 1.57 -1.62 -3.56 116.57 117.75 1hx2 h LYS 59 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1hx2 h LYS 59 Cb 0.87 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1hx2 h LYS 59 CO 0.04 1.01 0.00 0.00 -0.57 0.00 0.00 179.45 179.93