#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 -1.59 -3.65 2.13 4.01 -1.26 -5.05 117.16 111.76 1bbo n TYR 2 Ca 0.00 -1.95 -0.39 0.00 -0.16 0.00 0.00 57.90 55.39 1bbo n TYR 2 Cb 0.00 1.21 -0.11 0.00 -0.31 0.00 0.00 39.34 40.13 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 -0.56 4.16 -0.25 -0.72 1.09 -1.26 -4.44 121.20 119.22 1bbo s ILE 3 Ca 0.18 -1.19 -0.35 0.00 -1.10 0.00 0.00 60.65 58.19 1bbo s ILE 3 Cb 0.42 -3.44 -0.12 0.00 -1.06 0.00 0.00 42.46 38.26 1bbo s ILE 3 CO -0.09 -0.34 2.02 0.00 -0.10 0.00 0.00 174.94 176.43 1bbo h GLU 5 N 10.63 0.00 0.00 0.00 5.08 -1.95 0.33 114.58 128.67 1bbo h GLU 5 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1bbo h GLU 5 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1bbo h GLU 5 CO 0.98 0.00 -0.08 1.49 -1.00 0.00 0.00 179.01 180.41 1bbo h GLU 6 N 0.00 0.00 0.01 2.33 4.81 -2.01 -3.43 114.58 116.29 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 0.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1bbo h GLU 6 CO -0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 179.01 178.28 1bbo n GLY 8 N 1.51 1.40 3.65 0.00 0.00 0.11 -4.98 105.19 106.88 1bbo n GLY 8 Ca -0.09 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.71 0.12 -3.96 -0.61 0.13 -1.26 -4.50 119.36 108.58 1bbo n ILE 9 Ca 0.00 -0.02 -0.23 0.00 -1.10 0.00 0.00 62.75 61.40 1bbo n ILE 9 Cb 0.00 -1.32 -0.02 0.00 -0.84 0.00 0.00 39.64 37.46 1bbo n ILE 9 CO 0.00 0.00 0.00 -0.60 2.80 0.00 0.00 176.55 178.75 1bbo s ARG 10 N 1.52 3.44 0.00 9.51 3.52 -1.26 -2.60 118.95 133.07 1bbo s ARG 10 Ca 0.85 -0.70 0.00 0.00 -0.13 0.00 0.00 55.73 55.75 1bbo s ARG 10 Cb -0.81 -2.91 0.00 0.00 -1.56 0.00 0.00 34.95 29.67 1bbo s ARG 10 CO 0.46 0.46 0.00 1.63 -0.81 0.00 0.00 175.30 177.04 1bbo n LYS 12 N -1.12 4.67 -3.98 5.12 5.02 -1.26 -5.06 118.16 121.55 1bbo n LYS 12 Ca -0.08 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.87 1bbo n LYS 12 Cb 0.56 -0.56 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 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 -0.35 3.30 0.01 1.97 -0.14 -1.26 -4.95 119.74 118.33 1bbo s LYS 13 Ca 0.00 -0.34 -0.17 0.00 -1.36 0.00 0.00 55.97 54.10 1bbo s LYS 13 Cb 0.00 -3.03 -0.09 0.00 -1.68 0.00 0.00 37.83 33.03 1bbo s LYS 13 CO 0.00 0.69 1.04 -1.00 -0.76 0.00 0.00 175.35 175.32 1bbo h PRO 14 N 4.20 -0.59 -0.64 -1.68 0.13 -1.98 -2.49 132.00 128.95 1bbo h PRO 14 Ca -0.50 0.04 0.22 0.00 -0.87 0.00 0.00 66.00 64.89 1bbo h PRO 14 Cb 1.19 0.13 -0.12 0.00 0.13 0.00 0.00 31.00 32.34 1bbo h PRO 14 CO 0.64 -0.39 0.17 -1.13 -0.23 0.00 0.00 178.00 177.05 1bbo n SER 15 N -3.99 0.06 0.05 1.44 3.41 -1.26 0.16 113.62 113.49 1bbo n SER 15 Ca -0.08 1.07 -0.12 0.00 -0.26 0.00 0.00 58.87 59.48 1bbo n SER 15 Cb 0.24 -0.45 -0.09 0.00 -0.26 0.00 0.00 64.21 63.66 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 -0.18 0.65 4.33 2.86 -1.98 -2.72 114.93 117.90 1bbo h MET 16 Ca 0.46 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 58.08 1bbo h MET 16 Cb 1.09 0.04 0.01 0.00 0.06 0.00 0.00 31.60 32.80 1bbo h MET 16 CO -0.55 0.26 -0.31 1.25 1.06 0.00 0.00 176.91 178.62 1bbo h LEU 17 N -0.72 -0.74 -0.81 1.22 7.12 0.14 -1.75 115.31 119.77 1bbo h LEU 17 Ca -0.02 -0.01 0.20 0.00 0.13 0.00 0.00 57.88 58.18 1bbo h LEU 17 Cb 0.52 0.19 -0.15 0.00 -0.53 0.00 0.00 40.66 40.69 1bbo h LEU 17 CO 0.03 -0.39 -0.07 0.29 -0.13 0.00 0.00 178.44 178.17 1bbo n LYS 18 N -5.38 -0.07 -0.12 1.25 4.76 0.43 0.22 118.16 119.24 1bbo n LYS 18 Ca -0.12 1.23 -0.12 0.00 -2.87 0.00 0.00 58.31 56.44 1bbo n LYS 18 Cb 0.37 -1.91 -0.02 0.00 -1.84 0.00 0.00 35.03 31.62 1bbo n LYS 18 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1bbo h LYS 19 N 0.00 0.75 -0.14 1.97 1.79 -1.36 -2.90 116.57 116.68 1bbo h LYS 19 Ca 0.45 -0.31 0.01 0.00 -2.18 0.00 0.00 60.65 58.61 1bbo h LYS 19 Cb 0.84 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.45 1bbo h LYS 19 CO -0.79 0.92 0.08 1.25 -1.08 0.00 0.00 179.45 179.83 1bbo h HIS 20 N 0.54 0.15 -0.39 -1.35 2.76 0.35 -1.71 115.15 115.51 1bbo h HIS 20 Ca 0.09 0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.34 1bbo h HIS 20 Cb 0.67 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.57 1bbo h HIS 20 CO 0.05 0.09 0.27 0.97 -1.30 0.00 0.00 177.93 178.01 1bbo h ILE 21 N 0.17 0.90 0.00 6.26 6.09 -0.47 -0.53 117.51 129.92 1bbo h ILE 21 Ca 0.05 -0.06 -0.12 0.00 -1.37 0.00 0.00 64.86 63.36 1bbo h ILE 21 Cb -0.00 0.70 -0.02 0.00 0.47 0.00 0.00 36.82 37.97 1bbo h ILE 21 CO -0.03 0.03 -0.56 0.03 -3.07 0.00 0.00 178.15 174.55 1bbo h ARG 22 N 0.18 0.00 0.00 2.19 3.08 -1.12 -2.89 114.38 115.83 1bbo h ARG 22 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1bbo h ARG 22 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1bbo h ARG 22 CO -0.03 0.56 0.00 2.41 -1.07 0.00 0.00 179.97 181.85 1bbo n THR 23 N -3.52 0.29 1.29 2.04 -1.04 -0.21 -1.22 114.28 111.91 1bbo n THR 23 Ca -0.00 0.07 0.13 0.00 -2.04 0.00 0.00 64.05 62.21 1bbo n THR 23 Cb 0.65 -0.94 0.35 0.00 -1.82 0.00 0.00 70.33 68.56 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 -1.10 0.00 0.00 -1.42 8.25 -1.09 -4.71 115.22 115.15 1bbo n HIS 24 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1bbo n HIS 24 Cb 0.04 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.13 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 0.27 0.00 -2.01 1.59 -2.24 -0.36 -5.01 114.28 106.52 1bbo n THR 25 Ca 0.16 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.88 1bbo n THR 25 Cb 0.42 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.59 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 -0.81 -2.35 3.42 8.00 -1.26 -4.96 116.55 118.58 1bbo n ASP 26 Ca 0.00 -1.85 -0.26 0.00 0.71 0.00 0.00 54.79 53.39 1bbo n ASP 26 Cb 0.00 0.24 -0.01 0.00 -0.02 0.00 0.00 41.12 41.33 1bbo n ASP 26 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1bbo n VAL 27 N 0.01 3.22 -3.89 2.53 3.14 -1.26 -4.73 118.33 117.34 1bbo n VAL 27 Ca -0.23 -2.73 -0.28 0.00 -2.96 0.00 0.00 64.34 58.14 1bbo n VAL 27 Cb 0.68 -1.46 -0.12 0.00 -1.06 0.00 0.00 33.84 31.87 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 -2.09 2.32 0.22 1.45 0.52 -1.26 -4.69 118.95 115.42 1bbo s ARG 28 Ca 0.51 -3.17 0.18 0.00 -0.52 0.00 0.00 55.73 52.74 1bbo s ARG 28 Cb 0.36 -3.34 0.88 0.00 0.52 0.00 0.00 34.95 33.37 1bbo s ARG 28 CO -0.16 -1.25 1.56 -2.30 0.02 0.00 0.00 175.30 173.16 1bbo n PRO 29 N 2.22 0.12 -2.92 3.54 -0.02 -1.25 -4.30 135.00 132.39 1bbo n PRO 29 Ca 0.17 0.50 -0.44 0.00 -2.02 0.00 0.00 63.50 61.72 1bbo n PRO 29 Cb 0.35 -1.81 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 1bbo n PRO 29 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1bbo s TYR 30 N -3.33 3.05 -0.09 6.00 2.02 -1.16 -4.99 117.35 118.84 1bbo s TYR 30 Ca 0.01 -1.27 -0.02 0.00 -0.37 0.00 0.00 57.07 55.42 1bbo s TYR 30 Cb 0.07 -4.28 -0.03 0.00 -0.40 0.00 0.00 41.96 37.31 1bbo s TYR 30 CO 0.24 -1.51 0.01 -1.01 -1.57 0.00 0.00 175.55 171.71 1bbo s HIS 31 N 2.89 3.19 0.76 2.71 3.76 -1.26 -0.52 115.29 126.83 1bbo s HIS 31 Ca 0.31 0.20 -0.13 0.00 -0.15 0.00 0.00 55.06 55.29 1bbo s HIS 31 Cb -0.07 -1.81 0.05 0.00 1.11 0.00 0.00 32.58 31.86 1bbo s HIS 31 CO -0.07 0.46 1.15 0.00 -0.85 0.00 0.00 174.74 175.43 1bbo n THR 33 N -3.10 1.56 0.00 0.00 -1.04 -1.26 -4.27 114.28 106.16 1bbo n THR 33 Ca 0.11 -0.84 0.00 0.00 -2.04 0.00 0.00 64.05 61.29 1bbo n THR 33 Cb 0.52 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 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 0.47 -0.08 -2.42 -1.42 4.02 -1.26 -5.12 117.16 111.35 1bbo n TYR 34 Ca 0.17 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 58.00 1bbo n TYR 34 Cb 0.78 0.22 0.03 0.00 -0.02 0.00 0.00 39.34 40.34 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 -2.96 2.60 -4.87 0.00 4.05 -1.26 -4.54 115.26 108.28 1bbo n ASN 36 Ca 0.04 -2.03 -0.30 0.00 0.45 0.00 0.00 54.58 52.74 1bbo n ASN 36 Cb 0.16 -0.15 -0.03 0.00 1.23 0.00 0.00 39.78 40.98 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 -1.06 3.46 0.02 1.20 5.36 -1.26 -4.96 117.98 120.75 1bbo s PHE 37 Ca 0.15 1.04 -0.05 0.00 -0.96 0.00 0.00 56.93 57.11 1bbo s PHE 37 Cb 0.08 -2.43 -0.01 0.00 -0.34 0.00 0.00 43.02 40.32 1bbo s PHE 37 CO 0.10 -0.07 0.07 0.45 -1.46 0.00 0.00 175.22 174.31 1bbo s SER 38 N -3.08 0.15 0.24 6.13 0.15 -1.26 -2.62 113.70 113.40 1bbo s SER 38 Ca 0.51 -0.42 0.12 0.00 0.70 0.00 0.00 55.95 56.85 1bbo s SER 38 Cb -0.10 0.19 -0.05 0.00 -1.71 0.00 0.00 66.02 64.34 1bbo s SER 38 CO 0.30 -0.41 -0.21 -0.36 1.20 0.00 0.00 173.24 173.76 1bbo s PHE 39 N -1.91 2.31 -0.68 3.44 0.40 0.33 -4.96 117.98 116.90 1bbo s PHE 39 Ca -0.11 -0.34 0.25 0.00 -0.60 0.00 0.00 56.93 56.13 1bbo s PHE 39 Cb -0.05 -1.07 0.52 0.00 0.51 0.00 0.00 43.02 42.93 1bbo s PHE 39 CO -0.02 0.61 1.49 1.17 0.70 0.00 0.00 175.22 179.18 1bbo n LYS 40 N -0.22 0.27 -4.40 0.44 3.00 -1.26 -3.01 118.16 112.98 1bbo n LYS 40 Ca -0.09 0.13 -0.24 0.00 -0.00 0.00 0.00 58.31 58.12 1bbo n LYS 40 Cb 0.58 -1.72 -0.11 0.00 0.00 0.00 0.00 35.03 33.78 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 -3.14 2.16 -0.67 3.15 -4.23 -1.26 -4.87 115.64 106.78 1bbo s THR 41 Ca 0.08 -2.13 0.26 0.00 -1.18 0.00 0.00 61.69 58.72 1bbo s THR 41 Cb 0.13 -2.08 0.30 0.00 1.34 0.00 0.00 72.50 72.18 1bbo s THR 41 CO 0.67 -0.31 1.75 0.50 -0.54 0.00 0.00 174.62 176.69 1bbo h LYS 42 N 2.87 0.00 0.44 3.99 3.64 -1.98 -3.33 116.57 122.20 1bbo h LYS 42 Ca -0.42 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.94 1bbo h LYS 42 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1bbo h LYS 42 CO 0.54 0.00 -0.21 0.78 -2.27 0.00 0.00 179.45 178.29 1bbo h GLY 43 N 4.34 -0.62 -0.77 5.01 0.00 -1.99 -2.91 103.07 106.13 1bbo h GLY 43 Ca 0.00 0.23 0.39 0.00 0.00 0.00 0.00 47.33 47.95 1bbo h GLY 43 CO 0.00 -0.22 0.95 3.43 0.00 0.00 0.00 176.54 180.69 1bbo h ASN 44 N -0.79 0.09 0.92 0.19 -0.26 -2.00 0.64 115.58 114.38 1bbo h ASN 44 Ca -0.06 0.03 -0.04 0.00 -0.56 0.00 0.00 56.30 55.66 1bbo h ASN 44 Cb 0.45 0.02 0.01 0.00 -1.06 0.00 0.00 38.32 37.74 1bbo h ASN 44 CO 0.10 -0.01 -0.47 0.25 -1.06 0.00 0.00 177.43 176.24 1bbo h LEU 45 N 0.07 -1.13 -1.82 1.61 7.12 -1.63 0.17 115.31 119.70 1bbo h LEU 45 Ca 0.68 0.05 0.18 0.00 0.13 0.00 0.00 57.88 58.92 1bbo h LEU 45 Cb 2.52 0.30 -0.04 0.00 -0.53 0.00 0.00 40.66 42.92 1bbo h LEU 45 CO -0.10 -0.78 0.51 0.74 -0.13 0.00 0.00 178.44 178.68 1bbo h THR 46 N -1.28 0.70 -0.16 1.05 2.02 -0.71 -0.37 112.91 114.17 1bbo h THR 46 Ca -0.13 -0.06 -0.12 0.00 0.77 0.00 0.00 66.41 66.87 1bbo h THR 46 Cb 0.99 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1bbo h THR 46 CO 0.19 0.03 -0.38 0.50 0.37 0.00 0.00 175.52 176.23 1bbo h LYS 47 N 0.17 0.53 0.00 6.66 3.64 -0.79 -0.51 116.57 126.28 1bbo h LYS 47 Ca 0.36 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1bbo h LYS 47 Cb 1.15 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1bbo h LYS 47 CO -0.06 0.98 0.00 1.25 -2.27 0.00 0.00 179.45 179.35 1bbo h HIS 48 N 0.17 0.00 0.09 1.91 2.76 0.94 -3.06 115.15 117.95 1bbo h HIS 48 Ca -0.00 0.00 -0.34 0.00 -2.20 0.00 0.00 60.37 57.83 1bbo h HIS 48 Cb 0.99 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.93 1bbo h HIS 48 CO 0.10 0.00 -1.87 -1.33 -1.30 0.00 0.00 177.93 173.53 1bbo n MET 49 N -2.95 0.71 -0.33 5.26 2.81 -0.56 -4.15 117.12 117.91 1bbo n MET 49 Ca 0.00 0.33 0.14 0.00 -1.81 0.00 0.00 57.70 56.36 1bbo n MET 49 Cb 0.25 -1.70 0.37 0.00 -0.71 0.00 0.00 33.22 31.42 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 -0.20 0.67 -6.89 0.03 3.64 -0.99 -3.42 116.57 109.41 1bbo h LYS 50 Ca -0.42 -0.04 -0.51 0.00 -1.27 0.00 0.00 60.65 58.41 1bbo h LYS 50 Cb 1.86 -0.15 0.22 0.00 -0.41 0.00 0.00 32.23 33.74 1bbo h LYS 50 CO 0.00 0.44 -0.47 0.45 -2.27 0.00 0.00 179.45 177.60 1bbo n SER 51 N -4.69 -1.64 0.00 4.20 2.88 -1.18 -4.78 113.62 108.41 1bbo n SER 51 Ca 0.22 0.23 0.02 0.00 -1.33 0.00 0.00 58.87 58.01 1bbo n SER 51 Cb 0.60 -1.22 0.09 0.00 -0.75 0.00 0.00 64.21 62.93 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 -2.51 0.59 0.00 -1.46 4.76 -1.26 -4.18 118.16 114.11 1bbo n LYS 52 Ca 0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 1bbo n LYS 52 Cb 0.55 -1.08 0.00 0.00 -1.84 0.00 0.00 35.03 32.66 1bbo n LYS 52 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bbo n ALA 53 N -0.58 -0.07 -3.15 7.82 0.00 -1.26 -4.80 120.51 118.47 1bbo n ALA 53 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.51 1bbo n ALA 53 Cb 0.01 0.22 -0.01 0.00 0.00 0.00 0.00 19.45 19.67 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 -1.76 -0.80 -0.30 0.00 -3.43 -1.26 -5.12 115.29 102.63 1bbo s HIS 54 Ca 0.00 0.71 -0.00 0.00 -0.80 0.00 0.00 55.06 54.96 1bbo s HIS 54 Cb 0.00 0.23 0.14 0.00 -1.43 0.00 0.00 32.58 31.52 1bbo s HIS 54 CO 0.00 -0.45 0.30 -1.12 -2.00 0.00 0.00 174.74 171.48 1bbo s SER 55 N 2.93 1.62 -1.02 7.38 0.01 -1.26 -4.96 113.70 118.39 1bbo s SER 55 Ca 0.10 -0.85 -0.07 0.00 1.31 0.00 0.00 55.95 56.44 1bbo s SER 55 Cb -0.09 0.51 -0.06 0.00 0.21 0.00 0.00 66.02 66.60 1bbo s SER 55 CO -0.17 -0.38 2.23 0.29 0.41 0.00 0.00 173.24 175.62 1bbo n LYS 56 N 5.19 2.31 0.00 12.44 5.02 -1.26 -5.14 118.16 136.72 1bbo n LYS 56 Ca -0.01 -1.60 0.00 0.00 -2.02 0.00 0.00 58.31 54.68 1bbo n LYS 56 Cb 0.46 -2.54 0.00 0.00 -0.02 0.00 0.00 35.03 32.93 1bbo n LYS 56 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24