#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bbo n TYR 2 N 0.00 2.18 -4.88 2.13 4.01 -1.26 -4.90 117.16 114.44 1bbo n TYR 2 Ca 0.00 -2.37 -0.26 0.00 -0.16 0.00 0.00 57.90 55.10 1bbo n TYR 2 Cb 0.00 -1.54 -0.16 0.00 -0.31 0.00 0.00 39.34 37.33 1bbo n TYR 2 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1bbo s ILE 3 N -2.13 1.49 -0.45 -0.72 1.01 -1.26 -4.44 121.20 114.69 1bbo s ILE 3 Ca 0.55 -0.76 -0.28 0.00 0.00 0.00 0.00 60.65 60.16 1bbo s ILE 3 Cb 0.29 -1.27 0.01 0.00 0.01 0.00 0.00 42.46 41.50 1bbo s ILE 3 CO -0.18 0.43 1.48 0.00 0.00 0.00 0.00 174.94 176.67 1bbo h GLU 5 N 11.25 0.00 0.00 0.00 5.08 -1.96 0.12 114.58 129.07 1bbo h GLU 5 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1bbo h GLU 5 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1bbo h GLU 5 CO 1.11 0.00 -0.09 -1.91 -1.00 0.00 0.00 179.01 177.12 1bbo n GLU 6 N -2.25 0.07 0.15 2.33 0.00 -1.26 -4.71 120.64 114.97 1bbo n GLU 6 Ca -0.01 0.24 -0.12 0.00 0.00 0.00 0.00 57.16 57.26 1bbo n GLU 6 Cb 0.12 -0.84 -0.07 0.00 0.00 0.00 0.00 31.44 30.65 1bbo n GLU 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1bbo n GLY 8 N -0.05 1.47 3.77 0.00 0.00 0.42 -5.02 105.19 105.78 1bbo n GLY 8 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 1bbo n GLY 8 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1bbo s ILE 9 N -2.00 2.01 0.23 -0.61 1.10 -1.26 -4.71 121.20 115.96 1bbo s ILE 9 Ca 0.00 0.01 0.09 0.00 -0.51 0.00 0.00 60.65 60.24 1bbo s ILE 9 Cb 0.00 -3.01 -0.04 0.00 0.15 0.00 0.00 42.46 39.56 1bbo s ILE 9 CO 0.00 0.00 -0.04 -0.60 -2.11 0.00 0.00 174.94 172.19 1bbo s ARG 10 N -2.38 2.21 0.00 3.50 3.52 -1.26 -2.51 118.95 122.03 1bbo s ARG 10 Ca 0.59 -1.34 0.00 0.00 -0.13 0.00 0.00 55.73 54.85 1bbo s ARG 10 Cb -0.45 -2.17 0.00 0.00 -1.56 0.00 0.00 34.95 30.77 1bbo s ARG 10 CO 0.59 0.40 0.00 1.63 -0.81 0.00 0.00 175.30 177.11 1bbo n LYS 12 N -0.47 5.07 -3.83 5.12 5.02 -1.26 -5.06 118.16 122.74 1bbo n LYS 12 Ca -0.08 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.86 1bbo n LYS 12 Cb 0.57 -0.42 -0.05 0.00 -0.02 0.00 0.00 35.03 35.11 1bbo n LYS 12 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1bbo s LYS 13 N 0.00 3.51 0.00 1.97 1.02 -1.26 -4.86 119.74 120.12 1bbo s LYS 13 Ca 0.00 -0.14 -0.02 0.00 0.02 0.00 0.00 55.97 55.83 1bbo s LYS 13 Cb 0.00 -3.12 -0.01 0.00 -0.52 0.00 0.00 37.83 34.18 1bbo s LYS 13 CO 0.00 0.69 0.86 -1.00 -0.92 0.00 0.00 175.35 174.99 1bbo h PRO 14 N 4.23 -0.05 -0.38 -1.68 0.13 -1.98 -2.66 132.00 129.61 1bbo h PRO 14 Ca -0.51 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.71 1bbo h PRO 14 Cb 1.20 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.27 1bbo h PRO 14 CO 0.65 -0.03 -0.04 -1.13 -0.23 0.00 0.00 178.00 177.21 1bbo n SER 15 N -2.17 -0.09 -0.01 1.44 3.41 -1.26 0.27 113.62 115.21 1bbo n SER 15 Ca -0.01 0.65 -0.13 0.00 -0.26 0.00 0.00 58.87 59.12 1bbo n SER 15 Cb 0.02 -0.22 -0.08 0.00 -0.26 0.00 0.00 64.21 63.67 1bbo n SER 15 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1bbo h MET 16 N 0.00 0.08 0.36 4.33 2.86 -1.99 -2.74 114.93 117.82 1bbo h MET 16 Ca 0.21 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 1bbo h MET 16 Cb 0.37 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1bbo h MET 16 CO -0.37 0.41 -0.17 1.25 1.06 0.00 0.00 176.91 179.09 1bbo h LEU 17 N -0.27 -0.41 -0.78 1.22 7.12 0.41 -2.22 115.31 120.39 1bbo h LEU 17 Ca 0.01 -0.15 0.17 0.00 0.13 0.00 0.00 57.88 58.04 1bbo h LEU 17 Cb 0.38 0.10 -0.15 0.00 -0.53 0.00 0.00 40.66 40.47 1bbo h LEU 17 CO 0.00 0.02 -0.15 0.29 -0.13 0.00 0.00 178.44 178.47 1bbo n LYS 18 N -5.13 -0.07 -0.07 1.25 5.02 0.39 0.26 118.16 119.81 1bbo n LYS 18 Ca -0.09 1.20 -0.11 0.00 -2.02 0.00 0.00 58.31 57.30 1bbo n LYS 18 Cb 0.27 -1.82 0.03 0.00 -0.02 0.00 0.00 35.03 33.49 1bbo n LYS 18 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1bbo h LYS 19 N 0.00 0.78 -0.10 1.97 1.57 -1.48 -2.80 116.57 116.52 1bbo h LYS 19 Ca 0.39 -0.41 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1bbo h LYS 19 Cb 0.65 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1bbo h LYS 19 CO -0.79 1.04 -0.02 1.25 -0.57 0.00 0.00 179.45 180.36 1bbo h HIS 20 N 0.64 -0.05 0.00 -1.35 2.76 0.43 -0.98 115.15 116.60 1bbo h HIS 20 Ca 0.05 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 1bbo h HIS 20 Cb 0.96 0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.95 1bbo h HIS 20 CO 0.05 -0.04 -0.07 0.97 -1.30 0.00 0.00 177.93 177.55 1bbo h ILE 21 N 0.00 1.00 0.00 6.26 6.09 -0.81 0.44 117.51 130.49 1bbo h ILE 21 Ca 0.05 -0.24 0.00 0.00 -1.37 0.00 0.00 64.86 63.30 1bbo h ILE 21 Cb 0.07 1.13 0.00 0.00 0.47 0.00 0.00 36.82 38.49 1bbo h ILE 21 CO -0.10 0.07 0.00 0.03 -3.07 0.00 0.00 178.15 175.08 1bbo h ARG 22 N 0.00 0.00 0.00 2.19 3.08 -0.95 -2.79 114.38 115.90 1bbo h ARG 22 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bbo h ARG 22 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1bbo h ARG 22 CO 0.01 0.00 0.00 2.41 -1.07 0.00 0.00 179.97 181.32 1bbo n THR 23 N -2.53 0.09 1.04 2.04 -1.04 0.14 -2.72 114.28 111.31 1bbo n THR 23 Ca 0.04 0.02 0.11 0.00 -2.04 0.00 0.00 64.05 62.18 1bbo n THR 23 Cb 0.38 -0.56 0.34 0.00 -1.82 0.00 0.00 70.33 68.66 1bbo n THR 23 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1bbo n HIS 24 N -1.28 0.23 0.00 -1.42 8.25 -1.05 -4.67 115.22 115.28 1bbo n HIS 24 Ca 0.13 -0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1bbo n HIS 24 Cb 0.22 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.33 1bbo n HIS 24 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1bbo n THR 25 N 0.65 0.00 -2.05 1.59 -2.24 -1.10 -4.99 114.28 106.14 1bbo n THR 25 Ca 0.17 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.90 1bbo n THR 25 Cb 0.42 -0.05 -0.06 0.00 -2.10 0.00 0.00 70.33 68.54 1bbo n THR 25 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1bbo n ASP 26 N 0.00 -0.73 -2.50 3.42 9.92 -1.26 -4.96 116.55 120.44 1bbo n ASP 26 Ca 0.00 -1.95 -0.30 0.00 -0.53 0.00 0.00 54.79 52.00 1bbo n ASP 26 Cb 0.00 0.22 0.01 0.00 -0.64 0.00 0.00 41.12 40.70 1bbo n ASP 26 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1bbo n VAL 27 N 0.05 3.36 -3.86 2.53 3.14 -1.26 -4.75 118.33 117.55 1bbo n VAL 27 Ca -0.23 -3.15 -0.28 0.00 -2.96 0.00 0.00 64.34 57.72 1bbo n VAL 27 Cb 0.74 -1.39 -0.12 0.00 -1.06 0.00 0.00 33.84 32.01 1bbo n VAL 27 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1bbo s ARG 28 N -2.73 2.24 0.00 1.45 0.52 -1.26 -4.74 118.95 114.43 1bbo s ARG 28 Ca 0.53 -3.11 0.00 0.00 -0.52 0.00 0.00 55.73 52.63 1bbo s ARG 28 Cb 0.40 -3.22 0.01 0.00 0.52 0.00 0.00 34.95 32.66 1bbo s ARG 28 CO -0.21 -1.27 1.01 -2.30 0.02 0.00 0.00 175.30 172.55 1bbo n PRO 29 N 2.24 0.00 -2.37 3.54 -0.02 -1.25 -3.85 135.00 133.29 1bbo n PRO 29 Ca 0.18 0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 61.73 1bbo n PRO 29 Cb 0.35 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 1bbo n PRO 29 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1bbo n TYR 30 N -1.50 2.82 -3.07 6.00 4.01 -1.13 -4.97 117.16 119.32 1bbo n TYR 30 Ca 0.00 -2.76 -0.40 0.00 -0.16 0.00 0.00 57.90 54.58 1bbo n TYR 30 Cb 0.00 -1.86 -0.05 0.00 -0.31 0.00 0.00 39.34 37.12 1bbo n TYR 30 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 1bbo s HIS 31 N -0.07 3.59 0.31 -0.72 3.76 -1.25 -1.57 115.29 119.35 1bbo s HIS 31 Ca 0.40 1.24 -0.29 0.00 -0.15 0.00 0.00 55.06 56.26 1bbo s HIS 31 Cb 0.10 -2.78 -0.12 0.00 1.11 0.00 0.00 32.58 30.89 1bbo s HIS 31 CO 0.01 0.12 1.54 0.00 -0.85 0.00 0.00 174.74 175.56 1bbo h THR 33 N 3.17 0.39 0.00 0.00 2.02 -1.95 -3.34 112.91 113.21 1bbo h THR 33 Ca -0.48 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1bbo h THR 33 Cb 1.24 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 1bbo h THR 33 CO 0.74 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 175.41 1bbo n TYR 34 N -3.65 0.00 -0.18 3.16 4.02 -1.26 -5.04 117.16 114.21 1bbo n TYR 34 Ca -0.03 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.82 1bbo n TYR 34 Cb 0.08 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.44 1bbo n TYR 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1bbo n ASN 36 N -3.34 1.51 -4.71 0.00 4.05 -1.26 -4.38 115.26 107.13 1bbo n ASN 36 Ca 0.02 -1.26 -0.42 0.00 0.45 0.00 0.00 54.58 53.37 1bbo n ASN 36 Cb 0.08 0.11 -0.03 0.00 1.23 0.00 0.00 39.78 41.17 1bbo n ASN 36 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 1bbo s PHE 37 N -0.76 3.51 0.38 1.20 5.36 -1.26 -4.81 117.98 121.60 1bbo s PHE 37 Ca 0.08 1.44 0.06 0.00 -0.96 0.00 0.00 56.93 57.55 1bbo s PHE 37 Cb 0.06 -3.32 -0.07 0.00 -0.34 0.00 0.00 43.02 39.36 1bbo s PHE 37 CO 0.12 -0.84 0.03 0.45 -1.46 0.00 0.00 175.22 173.52 1bbo s SER 38 N 1.04 3.32 0.20 6.13 0.15 -1.26 -2.42 113.70 120.86 1bbo s SER 38 Ca 0.56 -1.39 0.04 0.00 0.70 0.00 0.00 55.95 55.86 1bbo s SER 38 Cb -0.27 -0.24 -0.05 0.00 -1.71 0.00 0.00 66.02 63.75 1bbo s SER 38 CO 0.29 -0.53 -0.03 -0.36 1.20 0.00 0.00 173.24 173.81 1bbo s PHE 39 N -2.94 1.41 -0.74 3.44 0.40 -0.61 -4.96 117.98 113.99 1bbo s PHE 39 Ca 0.34 -0.89 0.24 0.00 -0.60 0.00 0.00 56.93 56.02 1bbo s PHE 39 Cb 0.09 -0.79 0.26 0.00 0.51 0.00 0.00 43.02 43.09 1bbo s PHE 39 CO 0.17 -0.03 1.22 1.17 0.70 0.00 0.00 175.22 178.45 1bbo n LYS 40 N -0.32 0.20 -4.17 0.44 3.00 -1.26 -2.86 118.16 113.19 1bbo n LYS 40 Ca -0.07 0.03 -0.13 0.00 -0.00 0.00 0.00 58.31 58.14 1bbo n LYS 40 Cb 0.63 -1.60 -0.10 0.00 0.00 0.00 0.00 35.03 33.96 1bbo n LYS 40 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1bbo s THR 41 N -3.13 0.83 -0.58 3.15 -4.23 -1.26 -4.88 115.64 105.53 1bbo s THR 41 Ca 0.07 -1.76 0.22 0.00 -1.18 0.00 0.00 61.69 59.04 1bbo s THR 41 Cb 0.15 -1.48 0.23 0.00 1.34 0.00 0.00 72.50 72.74 1bbo s THR 41 CO 0.75 -0.70 1.68 1.17 -0.54 0.00 0.00 174.62 176.98 1bbo n LYS 42 N 0.30 0.16 0.00 3.99 4.81 -1.26 -3.45 118.16 122.72 1bbo n LYS 42 Ca -0.14 0.38 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 1bbo n LYS 42 Cb 0.59 -1.80 0.00 0.00 0.02 0.00 0.00 35.03 33.84 1bbo n LYS 42 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1bbo n GLY 43 N 0.08 -2.35 0.33 3.14 0.00 -1.26 -1.57 105.19 103.55 1bbo n GLY 43 Ca 0.03 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.25 1bbo n GLY 43 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1bbo h ASN 44 N 0.00 0.33 -0.35 1.61 2.35 -2.00 0.31 115.58 117.83 1bbo h ASN 44 Ca 0.00 0.20 0.07 0.00 -0.55 0.00 0.00 56.30 56.02 1bbo h ASN 44 Cb 0.00 0.19 -0.06 0.00 0.05 0.00 0.00 38.32 38.50 1bbo h ASN 44 CO 0.00 -0.16 -0.06 0.25 -1.65 0.00 0.00 177.43 175.81 1bbo h LEU 45 N 0.27 -0.28 -1.56 1.61 7.12 -1.58 0.17 115.31 121.07 1bbo h LEU 45 Ca 0.68 0.10 0.04 0.00 0.13 0.00 0.00 57.88 58.84 1bbo h LEU 45 Cb 1.52 0.20 -0.03 0.00 -0.53 0.00 0.00 40.66 41.82 1bbo h LEU 45 CO -0.64 -0.10 0.36 0.74 -0.13 0.00 0.00 178.44 178.67 1bbo h THR 46 N 0.02 1.03 0.00 1.05 2.02 0.63 0.09 112.91 117.76 1bbo h THR 46 Ca 0.17 -0.19 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 1bbo h THR 46 Cb 0.25 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1bbo h THR 46 CO -0.34 0.10 -0.27 0.11 0.37 0.00 0.00 175.52 175.49 1bbo h LYS 47 N 0.57 0.00 0.00 6.66 1.57 -0.58 0.12 116.57 124.90 1bbo h LYS 47 Ca 0.22 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.94 1bbo h LYS 47 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1bbo h LYS 47 CO -0.06 0.27 -0.58 1.25 -0.57 0.00 0.00 179.45 179.76 1bbo h HIS 48 N 0.00 0.00 0.00 -1.35 2.76 0.10 -3.26 115.15 113.40 1bbo h HIS 48 Ca -0.00 0.00 -0.26 0.00 -2.20 0.00 0.00 60.37 57.90 1bbo h HIS 48 Cb 0.75 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.66 1bbo h HIS 48 CO 0.00 0.25 -1.89 -1.33 -1.30 0.00 0.00 177.93 173.66 1bbo n MET 49 N -3.02 0.65 0.10 5.26 2.81 -0.74 -4.36 117.12 117.82 1bbo n MET 49 Ca 0.00 0.13 -0.13 0.00 -1.81 0.00 0.00 57.70 55.89 1bbo n MET 49 Cb 0.65 -1.68 -0.08 0.00 -0.71 0.00 0.00 33.22 31.40 1bbo n MET 49 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1bbo h LYS 50 N 0.00 -0.22 -6.26 0.03 3.64 -0.87 -3.41 116.57 109.47 1bbo h LYS 50 Ca -0.32 0.02 -0.49 0.00 -1.27 0.00 0.00 60.65 58.59 1bbo h LYS 50 Cb 1.90 0.05 0.25 0.00 -0.41 0.00 0.00 32.23 34.02 1bbo h LYS 50 CO 0.05 0.03 -2.00 0.45 -2.27 0.00 0.00 179.45 175.70 1bbo n SER 51 N -5.09 -3.05 -0.50 4.20 2.88 -1.23 -4.67 113.62 106.16 1bbo n SER 51 Ca -0.09 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 1bbo n SER 51 Cb 0.19 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 1bbo n SER 51 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1bbo n LYS 52 N 0.76 0.71 0.00 -1.46 4.01 -1.26 -4.54 118.16 116.38 1bbo n LYS 52 Ca -0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 1bbo n LYS 52 Cb 0.68 -1.36 0.00 0.00 -0.51 0.00 0.00 35.03 33.85 1bbo n LYS 52 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1bbo n ALA 53 N 0.14 0.00 -3.28 7.82 0.00 -1.26 -4.86 120.51 119.07 1bbo n ALA 53 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1bbo n ALA 53 Cb 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.55 1bbo n ALA 53 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1bbo s HIS 54 N 0.00 0.15 -0.35 0.00 -3.43 -1.26 -5.02 115.29 105.38 1bbo s HIS 54 Ca 0.00 -1.49 -0.05 0.00 -0.80 0.00 0.00 55.06 52.72 1bbo s HIS 54 Cb 0.00 -0.54 0.23 0.00 -1.43 0.00 0.00 32.58 30.83 1bbo s HIS 54 CO 0.00 -0.95 1.11 -1.13 -2.00 0.00 0.00 174.74 171.77 1bbo n SER 55 N 3.41 -1.54 0.00 7.38 3.41 -1.26 -4.90 113.62 120.12 1bbo n SER 55 Ca 0.20 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.54 1bbo n SER 55 Cb 0.47 0.80 0.00 0.00 -0.26 0.00 0.00 64.21 65.22 1bbo n SER 55 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bbo n LYS 56 N 2.34 0.00 0.00 4.33 5.02 -1.26 -4.86 118.16 123.73 1bbo n LYS 56 Ca 0.09 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.41 1bbo n LYS 56 Cb 0.66 0.00 0.12 0.00 -0.02 0.00 0.00 35.03 35.79 1bbo n LYS 56 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51