#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 2.56 -4.03 5.64 4.01 -1.26 -4.89 117.16 119.19 1bbo n TYR 2 Ca 0.00 -2.57 -0.31 0.00 -0.16 0.00 0.00 57.90 54.86 1bbo n TYR 2 Cb 0.00 -1.51 -0.16 0.00 -0.31 0.00 0.00 39.34 37.37 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 -2.72 1.77 -0.17 -0.72 1.09 -1.26 -4.55 121.20 114.64 1bbo s ILE 3 Ca 0.50 -1.05 -0.30 0.00 -1.10 0.00 0.00 60.65 58.69 1bbo s ILE 3 Cb 0.24 -1.79 -0.08 0.00 -1.06 0.00 0.00 42.46 39.77 1bbo s ILE 3 CO -0.15 0.22 2.12 0.00 -0.10 0.00 0.00 174.94 177.03 1bbo h GLU 5 N 12.98 0.00 0.00 0.00 4.39 -1.95 0.33 114.58 130.33 1bbo h GLU 5 Ca -0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1bbo h GLU 5 Cb 1.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 1bbo h GLU 5 CO 0.96 0.00 -0.07 1.49 -1.16 0.00 0.00 179.01 180.23 1bbo h GLU 6 N 0.00 0.00 0.01 2.33 4.81 -2.00 -3.42 114.58 116.30 1bbo h GLU 6 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1bbo h GLU 6 Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1bbo h GLU 6 CO 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 179.01 178.27 1bbo n GLY 8 N 1.07 1.37 3.73 0.00 0.00 0.12 -5.01 105.19 106.47 1bbo n GLY 8 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1bbo n GLY 8 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1bbo n ILE 9 N -1.05 0.29 -3.47 -0.61 3.06 -1.26 -4.63 119.36 111.70 1bbo n ILE 9 Ca 0.00 -0.07 -0.19 0.00 -2.50 0.00 0.00 62.75 59.98 1bbo n ILE 9 Cb 0.00 -1.98 -0.01 0.00 0.54 0.00 0.00 39.64 38.19 1bbo n ILE 9 CO 0.00 0.00 0.00 -0.60 -2.50 0.00 0.00 176.55 173.45 1bbo s ARG 10 N 0.68 2.91 -0.00 9.51 6.06 -1.26 -2.63 118.95 134.22 1bbo s ARG 10 Ca 0.72 -1.17 0.00 0.00 -2.50 0.00 0.00 55.73 52.78 1bbo s ARG 10 Cb -0.50 -2.68 0.00 0.00 0.06 0.00 0.00 34.95 31.83 1bbo s ARG 10 CO 0.37 -0.02 0.63 1.63 -2.50 0.00 0.00 175.30 175.41 1bbo n LYS 12 N -1.61 0.54 -4.00 5.12 5.02 -1.26 -5.07 118.16 116.90 1bbo n LYS 12 Ca 0.01 -0.74 -0.09 0.00 -2.02 0.00 0.00 58.31 55.48 1bbo n LYS 12 Cb 0.59 -0.60 -0.11 0.00 -0.02 0.00 0.00 35.03 34.89 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 -0.22 0.38 0.00 1.97 1.02 -1.26 -5.08 119.74 116.56 1bbo s LYS 13 Ca 0.00 -0.74 -0.01 0.00 0.02 0.00 0.00 55.97 55.24 1bbo s LYS 13 Cb 0.00 0.14 -0.01 0.00 -0.52 0.00 0.00 37.83 37.44 1bbo s LYS 13 CO 0.00 -0.07 0.76 -1.00 -0.92 0.00 0.00 175.35 174.13 1bbo h PRO 14 N 4.30 -0.03 -0.60 -1.68 0.13 -1.99 -2.23 132.00 129.90 1bbo h PRO 14 Ca -0.32 0.00 0.24 0.00 -0.87 0.00 0.00 66.00 65.05 1bbo h PRO 14 Cb 1.19 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.22 1bbo h PRO 14 CO 0.47 -0.02 0.29 -1.13 -0.23 0.00 0.00 178.00 177.38 1bbo n SER 15 N -2.11 0.18 0.00 1.44 3.41 -1.26 0.18 113.62 115.46 1bbo n SER 15 Ca -0.00 1.00 -0.12 0.00 -0.26 0.00 0.00 58.87 59.48 1bbo n SER 15 Cb 0.01 -0.47 -0.09 0.00 -0.26 0.00 0.00 64.21 63.39 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 -0.09 0.52 4.33 2.86 -1.99 -2.54 114.93 118.02 1bbo h MET 16 Ca 0.49 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 58.12 1bbo h MET 16 Cb 1.29 0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.97 1bbo h MET 16 CO -0.47 0.46 -0.25 1.25 1.06 0.00 0.00 176.91 178.96 1bbo h LEU 17 N -0.74 -0.59 -0.91 1.22 7.12 0.24 -1.71 115.31 119.94 1bbo h LEU 17 Ca -0.01 -0.01 0.23 0.00 0.13 0.00 0.00 57.88 58.21 1bbo h LEU 17 Cb 0.59 0.15 -0.17 0.00 -0.53 0.00 0.00 40.66 40.71 1bbo h LEU 17 CO 0.02 -0.18 -0.07 1.17 -0.13 0.00 0.00 178.44 179.25 1bbo n LYS 18 N -5.25 -0.08 -0.15 1.25 4.81 0.46 0.24 118.16 119.44 1bbo n LYS 18 Ca -0.09 1.38 -0.10 0.00 -0.87 0.00 0.00 58.31 58.63 1bbo n LYS 18 Cb 0.29 -2.15 0.03 0.00 0.02 0.00 0.00 35.03 33.23 1bbo n LYS 18 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1bbo h LYS 19 N 0.00 0.96 0.14 1.64 1.63 -1.43 -2.84 116.57 116.67 1bbo h LYS 19 Ca 0.51 -0.38 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 1bbo h LYS 19 Cb 0.97 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.56 1bbo h LYS 19 CO -0.88 1.05 -0.07 1.25 -3.45 0.00 0.00 179.45 177.35 1bbo h HIS 20 N 0.84 -0.17 -0.62 1.91 2.76 0.40 -2.04 115.15 118.23 1bbo h HIS 20 Ca 0.12 -0.00 0.17 0.00 -2.20 0.00 0.00 60.37 58.45 1bbo h HIS 20 Cb 0.72 0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.71 1bbo h HIS 20 CO 0.05 -0.00 0.44 0.97 -1.30 0.00 0.00 177.93 178.08 1bbo h ILE 21 N -0.31 0.72 -0.16 6.26 6.09 -0.40 0.93 117.51 130.64 1bbo h ILE 21 Ca -0.02 -0.03 -0.18 0.00 -1.37 0.00 0.00 64.86 63.26 1bbo h ILE 21 Cb 0.25 0.63 -0.00 0.00 0.47 0.00 0.00 36.82 38.17 1bbo h ILE 21 CO 0.03 0.02 -0.64 0.03 -3.07 0.00 0.00 178.15 174.52 1bbo h ARG 22 N 0.08 0.59 -0.59 2.19 3.08 -1.15 -2.86 114.38 115.73 1bbo h ARG 22 Ca 0.30 -0.42 0.17 0.00 0.07 0.00 0.00 59.98 60.10 1bbo h ARG 22 Cb 1.07 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.16 1bbo h ARG 22 CO -0.03 1.04 0.75 1.15 -1.07 0.00 0.00 179.97 181.81 1bbo h THR 23 N 0.43 0.18 0.00 2.04 2.02 -0.13 1.33 112.91 118.78 1bbo h THR 23 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1bbo h THR 23 Cb 1.21 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1bbo h THR 23 CO 0.12 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.42 1bbo n HIS 24 N -3.40 0.00 0.00 3.16 8.25 -1.08 -4.45 115.22 117.70 1bbo n HIS 24 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1bbo n HIS 24 Cb 0.96 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 32.00 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 -0.09 0.00 -2.19 1.59 -2.24 0.46 -5.00 114.28 106.81 1bbo n THR 25 Ca 0.00 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 1bbo n THR 25 Cb 0.16 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 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 0.27 -2.64 3.42 9.92 -1.26 -4.90 116.55 121.37 1bbo n ASP 26 Ca 0.00 -1.89 -0.36 0.00 -0.53 0.00 0.00 54.79 52.02 1bbo n ASP 26 Cb 0.00 -0.16 0.04 0.00 -0.64 0.00 0.00 41.12 40.35 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 0.19 3.53 -3.79 2.53 3.14 -1.26 -4.78 118.33 117.89 1bbo n VAL 27 Ca -0.01 -3.59 -0.29 0.00 -2.96 0.00 0.00 64.34 57.50 1bbo n VAL 27 Cb 0.85 -1.27 -0.13 0.00 -1.06 0.00 0.00 33.84 32.23 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 -3.57 1.72 0.59 1.45 0.52 -1.26 -4.69 118.95 113.71 1bbo s ARG 28 Ca 0.55 -2.52 0.36 0.00 -0.52 0.00 0.00 55.73 53.60 1bbo s ARG 28 Cb 0.44 -2.77 1.86 0.00 0.52 0.00 0.00 34.95 35.01 1bbo s ARG 28 CO -0.25 -1.20 2.19 -1.35 0.02 0.00 0.00 175.30 174.71 1bbo h PRO 29 N 6.22 0.00 -5.95 3.54 0.11 -1.86 -3.38 132.00 130.67 1bbo h PRO 29 Ca 0.04 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.53 1bbo h PRO 29 Cb 0.87 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.90 1bbo h PRO 29 CO 0.58 0.04 1.81 0.71 -0.21 0.00 0.00 178.00 180.93 1bbo s TYR 30 N -4.12 2.61 0.01 0.65 2.02 -1.11 -4.94 117.35 112.46 1bbo s TYR 30 Ca -0.03 -1.14 -0.13 0.00 -0.37 0.00 0.00 57.07 55.40 1bbo s TYR 30 Cb 0.12 -4.68 -0.06 0.00 -0.40 0.00 0.00 41.96 36.95 1bbo s TYR 30 CO 0.50 -1.84 0.38 -1.01 -1.57 0.00 0.00 175.55 172.01 1bbo s HIS 31 N 5.00 3.68 0.72 2.71 3.76 -1.26 -0.90 115.29 128.99 1bbo s HIS 31 Ca 0.52 0.90 -0.15 0.00 -0.15 0.00 0.00 55.06 56.17 1bbo s HIS 31 Cb 0.02 -2.22 0.03 0.00 1.11 0.00 0.00 32.58 31.52 1bbo s HIS 31 CO 0.00 0.62 1.20 0.00 -0.85 0.00 0.00 174.74 175.72 1bbo n THR 33 N -2.62 0.08 0.10 0.00 -1.04 -1.26 -4.30 114.28 105.24 1bbo n THR 33 Ca 0.13 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1bbo n THR 33 Cb 0.50 -0.11 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 1bbo n THR 33 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1bbo n TYR 34 N -0.27 -1.82 -1.17 -1.42 4.02 -1.26 -5.12 117.16 110.12 1bbo n TYR 34 Ca 0.01 0.34 -0.30 0.00 -0.01 0.00 0.00 57.90 57.95 1bbo n TYR 34 Cb 0.10 0.70 0.23 0.00 -0.02 0.00 0.00 39.34 40.35 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 -4.59 3.44 -4.90 0.00 2.85 -1.26 -4.33 115.26 106.47 1bbo n ASN 36 Ca 0.12 -1.96 -0.28 0.00 -0.11 0.00 0.00 54.58 52.34 1bbo n ASN 36 Cb 0.59 -0.31 0.06 0.00 1.24 0.00 0.00 39.78 41.36 1bbo n ASN 36 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 1bbo s PHE 37 N -1.22 3.14 0.26 1.20 5.36 -1.26 -4.92 117.98 120.55 1bbo s PHE 37 Ca 0.38 0.79 -0.18 0.00 -0.96 0.00 0.00 56.93 56.95 1bbo s PHE 37 Cb 0.21 -3.14 0.01 0.00 -0.34 0.00 0.00 43.02 39.76 1bbo s PHE 37 CO 0.29 -1.31 0.64 0.45 -1.46 0.00 0.00 175.22 173.82 1bbo s SER 38 N -4.43 -0.22 0.16 6.13 0.15 -1.26 -2.23 113.70 112.00 1bbo s SER 38 Ca 0.59 -0.68 0.03 0.00 0.70 0.00 0.00 55.95 56.59 1bbo s SER 38 Cb -0.11 0.68 -0.05 0.00 -1.71 0.00 0.00 66.02 64.83 1bbo s SER 38 CO 0.49 -1.27 -0.06 -0.36 1.20 0.00 0.00 173.24 173.24 1bbo s PHE 39 N -3.94 1.25 -0.72 3.44 0.40 -0.08 -4.97 117.98 113.36 1bbo s PHE 39 Ca 0.14 -0.87 0.25 0.00 -0.60 0.00 0.00 56.93 55.85 1bbo s PHE 39 Cb -0.04 -0.68 0.48 0.00 0.51 0.00 0.00 43.02 43.28 1bbo s PHE 39 CO 0.07 -0.04 1.43 1.17 0.70 0.00 0.00 175.22 178.55 1bbo n LYS 40 N -0.22 0.24 -4.24 0.44 3.00 -1.26 -2.77 118.16 113.35 1bbo n LYS 40 Ca -0.09 0.09 -0.15 0.00 -0.00 0.00 0.00 58.31 58.16 1bbo n LYS 40 Cb 0.62 -1.67 -0.10 0.00 0.00 0.00 0.00 35.03 33.87 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 1.17 -0.47 3.15 -4.23 -1.26 -4.89 115.64 105.98 1bbo s THR 41 Ca 0.08 -1.93 0.26 0.00 -1.18 0.00 0.00 61.69 58.91 1bbo s THR 41 Cb 0.14 -1.71 0.29 0.00 1.34 0.00 0.00 72.50 72.55 1bbo s THR 41 CO 0.69 -0.66 1.76 0.50 -0.54 0.00 0.00 174.62 176.38 1bbo h LYS 42 N 3.03 0.00 0.18 3.99 3.64 -1.99 -3.19 116.57 122.24 1bbo h LYS 42 Ca -0.37 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.00 1bbo h LYS 42 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1bbo h LYS 42 CO 0.59 0.00 -0.09 0.78 -2.27 0.00 0.00 179.45 178.47 1bbo h GLY 43 N 3.02 -0.25 -0.48 5.01 0.00 -2.00 -2.95 103.07 105.43 1bbo h GLY 43 Ca 0.00 0.09 0.34 0.00 0.00 0.00 0.00 47.33 47.76 1bbo h GLY 43 CO 0.00 -0.09 0.80 3.43 0.00 0.00 0.00 176.54 180.68 1bbo h ASN 44 N -0.47 0.24 -0.19 0.19 2.35 -2.00 0.37 115.58 116.07 1bbo h ASN 44 Ca -0.02 0.06 0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1bbo h ASN 44 Cb 0.18 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 1bbo h ASN 44 CO 0.04 0.00 0.06 0.25 -1.65 0.00 0.00 177.43 176.14 1bbo h LEU 45 N 0.19 0.07 -1.27 1.61 7.12 -1.55 -1.73 115.31 119.75 1bbo h LEU 45 Ca 0.64 0.02 0.07 0.00 0.13 0.00 0.00 57.88 58.74 1bbo h LEU 45 Cb 2.06 0.01 -0.05 0.00 -0.53 0.00 0.00 40.66 42.15 1bbo h LEU 45 CO -0.21 0.07 0.53 0.74 -0.13 0.00 0.00 178.44 179.44 1bbo h THR 46 N 0.15 1.03 -1.00 1.05 2.02 -0.09 -0.93 112.91 115.16 1bbo h THR 46 Ca 0.08 -0.30 0.03 0.00 0.77 0.00 0.00 66.41 66.99 1bbo h THR 46 Cb 0.05 0.08 -0.06 0.00 -1.74 0.00 0.00 68.15 66.49 1bbo h THR 46 CO -0.09 0.16 0.66 0.50 0.37 0.00 0.00 175.52 177.12 1bbo h LYS 47 N 0.88 1.25 0.00 6.66 1.63 -0.98 0.70 116.57 126.71 1bbo h LYS 47 Ca 0.35 -0.08 -0.10 0.00 -0.85 0.00 0.00 60.65 59.98 1bbo h LYS 47 Cb 0.25 -0.28 -0.01 0.00 -0.60 0.00 0.00 32.23 31.58 1bbo h LYS 47 CO -0.13 0.83 -0.46 1.25 -3.45 0.00 0.00 179.45 177.50 1bbo h HIS 48 N 1.29 0.00 0.00 1.91 2.76 -0.78 -2.85 115.15 117.48 1bbo h HIS 48 Ca 0.39 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.51 1bbo h HIS 48 Cb -0.05 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 1bbo h HIS 48 CO -0.00 0.46 -0.86 0.52 -1.30 0.00 0.00 177.93 176.74 1bbo h MET 49 N 0.00 0.00 -0.27 5.26 2.86 -0.58 -3.35 114.93 118.85 1bbo h MET 49 Ca -0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1bbo h MET 49 Cb 0.88 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 1bbo h MET 49 CO 0.06 0.11 0.17 -0.22 1.06 0.00 0.00 176.91 178.09 1bbo h LYS 50 N 0.00 0.37 -7.23 1.72 3.64 0.61 -3.44 116.57 112.24 1bbo h LYS 50 Ca -0.04 -0.03 -0.50 0.00 -1.27 0.00 0.00 60.65 58.82 1bbo h LYS 50 Cb 1.16 -0.08 0.20 0.00 -0.41 0.00 0.00 32.23 33.11 1bbo h LYS 50 CO 0.02 0.28 0.16 0.45 -2.27 0.00 0.00 179.45 178.08 1bbo s SER 51 N -5.49 2.28 0.00 4.20 0.15 -1.22 -4.81 113.70 108.81 1bbo s SER 51 Ca -0.13 2.02 0.00 0.00 0.70 0.00 0.00 55.95 58.54 1bbo s SER 51 Cb 0.09 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1bbo s SER 51 CO 0.71 -3.47 0.67 1.17 1.20 0.00 0.00 173.24 173.52 1bbo n LYS 52 N -4.47 0.86 0.00 5.44 4.81 -1.26 -4.57 118.16 118.97 1bbo n LYS 52 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 1bbo n LYS 52 Cb 0.53 -1.22 0.00 0.00 0.02 0.00 0.00 35.03 34.35 1bbo n LYS 52 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1bbo n ALA 53 N 0.36 0.00 -3.32 3.14 0.00 -1.26 -4.72 120.51 114.72 1bbo n ALA 53 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1bbo n ALA 53 Cb 0.34 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.35 0.00 0.00 -3.43 -1.26 -4.92 115.29 105.33 1bbo s HIS 54 Ca 0.00 -0.88 0.00 0.00 -0.80 0.00 0.00 55.06 53.38 1bbo s HIS 54 Cb 0.00 -0.36 0.00 0.00 -1.43 0.00 0.00 32.58 30.79 1bbo s HIS 54 CO 0.00 -0.99 0.28 0.43 -2.00 0.00 0.00 174.74 172.46 1bbo n SER 55 N 4.04 0.29 0.00 7.38 7.64 -1.26 -4.91 113.62 126.79 1bbo n SER 55 Ca 0.13 -1.07 0.00 0.00 1.01 0.00 0.00 58.87 58.94 1bbo n SER 55 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1bbo n SER 55 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1bbo n LYS 56 N -0.04 0.00 0.00 1.43 5.02 -1.26 -5.23 118.16 118.08 1bbo n LYS 56 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1bbo n LYS 56 Cb 0.28 -0.11 0.00 0.00 -0.02 0.00 0.00 35.03 35.19 1bbo n LYS 56 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05