#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 1.25 -4.02 5.64 4.01 -1.26 -4.83 117.16 117.94 1bbo n TYR 2 Ca 0.00 -1.94 -0.33 0.00 -0.16 0.00 0.00 57.90 55.47 1bbo n TYR 2 Cb 0.00 -1.54 -0.15 0.00 -0.31 0.00 0.00 39.34 37.34 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 -0.97 2.47 -0.12 -0.72 1.01 -1.26 -4.54 121.20 117.06 1bbo s ILE 3 Ca 0.61 -1.41 -0.34 0.00 0.00 0.00 0.00 60.65 59.52 1bbo s ILE 3 Cb 0.34 -2.37 -0.11 0.00 0.01 0.00 0.00 42.46 40.33 1bbo s ILE 3 CO -0.14 0.05 1.94 0.00 0.00 0.00 0.00 174.94 176.79 1bbo h GLU 5 N 10.05 0.00 0.00 0.00 4.39 -1.95 0.11 114.58 127.17 1bbo h GLU 5 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1bbo h GLU 5 Cb 1.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1bbo h GLU 5 CO 0.96 0.00 -0.09 1.49 -1.16 0.00 0.00 179.01 180.21 1bbo h GLU 6 N 0.00 0.00 -0.01 2.33 4.22 -2.01 -3.43 114.58 115.69 1bbo h GLU 6 Ca 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.39 1bbo h GLU 6 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1bbo h GLU 6 CO 0.00 0.00 -0.18 0.00 -2.18 0.00 0.00 179.01 176.65 1bbo n GLY 8 N 0.94 1.31 3.69 0.00 0.00 0.37 -5.01 105.19 106.50 1bbo n GLY 8 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.22 0.26 -3.61 -0.61 0.13 -1.26 -4.63 119.36 108.42 1bbo n ILE 9 Ca 0.00 -0.05 -0.20 0.00 -1.10 0.00 0.00 62.75 61.41 1bbo n ILE 9 Cb 0.00 -2.01 -0.01 0.00 -0.84 0.00 0.00 39.64 36.78 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 2.29 3.13 -0.00 9.51 3.52 -1.26 -2.61 118.95 133.54 1bbo s ARG 10 Ca 0.81 -0.99 0.00 0.00 -0.13 0.00 0.00 55.73 55.42 1bbo s ARG 10 Cb -0.53 -2.79 0.00 0.00 -1.56 0.00 0.00 34.95 30.07 1bbo s ARG 10 CO 0.37 0.14 0.55 1.63 -0.81 0.00 0.00 175.30 177.18 1bbo n LYS 12 N -1.56 0.08 -3.93 5.12 4.76 -1.26 -5.06 118.16 116.30 1bbo n LYS 12 Ca -0.02 -0.56 -0.10 0.00 -2.87 0.00 0.00 58.31 54.76 1bbo n LYS 12 Cb 0.58 -0.52 -0.10 0.00 -1.84 0.00 0.00 35.03 33.15 1bbo n LYS 12 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1bbo s LYS 13 N -0.03 0.47 0.00 1.97 1.02 -1.26 -5.09 119.74 116.82 1bbo s LYS 13 Ca 0.00 -0.62 -0.00 0.00 0.02 0.00 0.00 55.97 55.37 1bbo s LYS 13 Cb 0.00 0.18 -0.00 0.00 -0.52 0.00 0.00 37.83 37.49 1bbo s LYS 13 CO 0.00 -0.11 0.79 -1.00 -0.92 0.00 0.00 175.35 174.11 1bbo h PRO 14 N 4.13 -0.01 -0.53 -1.68 0.13 -1.98 -2.44 132.00 129.62 1bbo h PRO 14 Ca -0.32 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.97 1bbo h PRO 14 Cb 1.19 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.23 1bbo h PRO 14 CO 0.45 -0.01 0.04 -1.13 -0.23 0.00 0.00 178.00 177.12 1bbo n SER 15 N -2.04 -0.04 -0.02 1.44 3.41 -1.26 0.26 113.62 115.36 1bbo n SER 15 Ca -0.00 0.90 -0.12 0.00 -0.26 0.00 0.00 58.87 59.38 1bbo n SER 15 Cb 0.01 -0.34 -0.08 0.00 -0.26 0.00 0.00 64.21 63.54 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 0.14 0.37 4.33 2.86 -1.99 -2.66 114.93 117.97 1bbo h MET 16 Ca 0.33 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.91 1bbo h MET 16 Cb 0.72 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.37 1bbo h MET 16 CO -0.49 0.45 -0.18 1.25 1.06 0.00 0.00 176.91 179.00 1bbo h LEU 17 N -0.18 -0.42 -0.75 1.22 7.12 0.40 -2.48 115.31 120.22 1bbo h LEU 17 Ca 0.02 -0.05 0.25 0.00 0.13 0.00 0.00 57.88 58.23 1bbo h LEU 17 Cb 0.39 0.11 -0.14 0.00 -0.53 0.00 0.00 40.66 40.49 1bbo h LEU 17 CO 0.01 0.03 0.19 0.29 -0.13 0.00 0.00 178.44 178.83 1bbo n LYS 18 N -5.11 -0.05 -0.02 1.25 5.02 0.44 0.23 118.16 119.92 1bbo n LYS 18 Ca -0.07 1.08 -0.16 0.00 -2.02 0.00 0.00 58.31 57.14 1bbo n LYS 18 Cb 0.23 -1.81 -0.09 0.00 -0.02 0.00 0.00 35.03 33.34 1bbo n LYS 18 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1bbo h LYS 19 N 0.00 0.50 0.29 1.97 3.64 -1.50 -2.63 116.57 118.83 1bbo h LYS 19 Ca 0.54 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1bbo h LYS 19 Cb 1.27 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.16 1bbo h LYS 19 CO -0.64 1.05 -0.28 1.25 -2.27 0.00 0.00 179.45 178.55 1bbo h HIS 20 N 0.08 -0.76 -0.58 1.91 2.76 0.35 -0.59 115.15 118.32 1bbo h HIS 20 Ca -0.04 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.23 1bbo h HIS 20 Cb 1.15 0.29 -0.03 0.00 1.55 0.00 0.00 27.41 30.37 1bbo h HIS 20 CO 0.12 -0.41 0.39 0.97 -1.30 0.00 0.00 177.93 177.70 1bbo h ILE 21 N -0.60 0.92 0.00 6.26 6.09 -0.68 0.24 117.51 129.73 1bbo h ILE 21 Ca -0.01 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 63.33 1bbo h ILE 21 Cb 0.55 0.45 0.00 0.00 0.47 0.00 0.00 36.82 38.29 1bbo h ILE 21 CO -0.06 0.08 0.00 0.03 -3.07 0.00 0.00 178.15 175.13 1bbo h ARG 22 N 0.43 0.00 0.00 2.19 3.08 -0.84 -2.83 114.38 116.41 1bbo h ARG 22 Ca 0.27 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.29 1bbo h ARG 22 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 1bbo h ARG 22 CO -0.07 0.00 -0.11 1.15 -1.07 0.00 0.00 179.97 179.86 1bbo h THR 23 N 0.00 0.24 0.00 2.04 2.02 0.95 -2.76 112.91 115.40 1bbo h THR 23 Ca 0.00 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.17 1bbo h THR 23 Cb 0.55 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 1bbo h THR 23 CO 0.00 0.11 0.00 1.41 0.37 0.00 0.00 175.52 177.41 1bbo n HIS 24 N -3.18 0.00 0.00 3.16 8.25 -1.07 -4.43 115.22 117.95 1bbo n HIS 24 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1bbo n HIS 24 Cb 0.46 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 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 -0.67 0.00 -2.27 1.59 -2.24 -1.04 -5.00 114.28 104.65 1bbo n THR 25 Ca 0.05 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.83 1bbo n THR 25 Cb 0.02 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.24 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 0.12 -2.34 3.42 8.00 -1.26 -4.93 116.55 119.56 1bbo n ASP 26 Ca 0.00 -1.98 -0.25 0.00 0.71 0.00 0.00 54.79 53.27 1bbo n ASP 26 Cb 0.00 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.03 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 0.27 3.20 -3.83 2.53 3.14 -1.26 -4.75 118.33 117.62 1bbo n VAL 27 Ca -0.08 -2.67 -0.31 0.00 -2.96 0.00 0.00 64.34 58.32 1bbo n VAL 27 Cb 0.94 -1.51 -0.11 0.00 -1.06 0.00 0.00 33.84 32.10 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 -1.83 2.55 0.34 1.45 0.52 -1.26 -4.75 118.95 115.96 1bbo s ARG 28 Ca 0.52 -3.09 0.24 0.00 -0.52 0.00 0.00 55.73 52.89 1bbo s ARG 28 Cb 0.35 -3.55 1.21 0.00 0.52 0.00 0.00 34.95 33.48 1bbo s ARG 28 CO -0.16 -1.23 1.74 -1.35 0.02 0.00 0.00 175.30 174.31 1bbo h PRO 29 N 5.95 0.00 -5.20 3.54 0.11 -1.86 -3.38 132.00 131.16 1bbo h PRO 29 Ca 0.08 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 65.50 1bbo h PRO 29 Cb 0.82 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 31.77 1bbo h PRO 29 CO 0.74 0.00 1.19 0.71 -0.21 0.00 0.00 178.00 180.43 1bbo s TYR 30 N -3.53 3.09 -0.20 0.65 2.02 -1.14 -4.98 117.35 113.27 1bbo s TYR 30 Ca -0.00 -1.51 -0.08 0.00 -0.37 0.00 0.00 57.07 55.10 1bbo s TYR 30 Cb 0.08 -4.40 -0.04 0.00 -0.40 0.00 0.00 41.96 37.20 1bbo s TYR 30 CO 0.28 -1.56 0.08 -1.01 -1.57 0.00 0.00 175.55 171.77 1bbo s HIS 31 N 2.90 3.25 0.53 2.71 3.76 -1.26 -0.56 115.29 126.63 1bbo s HIS 31 Ca 0.39 0.06 -0.21 0.00 -0.15 0.00 0.00 55.06 55.16 1bbo s HIS 31 Cb -0.03 -2.13 -0.07 0.00 1.11 0.00 0.00 32.58 31.47 1bbo s HIS 31 CO -0.06 0.10 0.96 0.00 -0.85 0.00 0.00 174.74 174.90 1bbo n THR 33 N -1.25 0.00 0.06 0.00 -1.04 -1.26 -4.23 114.28 106.55 1bbo n THR 33 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1bbo n THR 33 Cb 0.44 -0.19 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 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 -0.30 -1.04 -1.06 -1.42 4.02 -1.26 -5.12 117.16 110.97 1bbo n TYR 34 Ca 0.00 0.18 -0.30 0.00 -0.01 0.00 0.00 57.90 57.77 1bbo n TYR 34 Cb 0.08 0.52 0.24 0.00 -0.02 0.00 0.00 39.34 40.17 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 -4.79 3.58 -4.80 0.00 2.85 -1.26 -4.42 115.26 106.42 1bbo n ASN 36 Ca 0.13 -2.07 -0.38 0.00 -0.11 0.00 0.00 54.58 52.15 1bbo n ASN 36 Cb 0.59 -0.39 -0.06 0.00 1.24 0.00 0.00 39.78 41.17 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 -1.13 3.79 0.07 1.20 5.36 -1.26 -4.95 117.98 121.06 1bbo s PHE 37 Ca 0.38 1.48 0.04 0.00 -0.96 0.00 0.00 56.93 57.87 1bbo s PHE 37 Cb 0.21 -2.66 -0.03 0.00 -0.34 0.00 0.00 43.02 40.19 1bbo s PHE 37 CO 0.24 0.46 -0.11 0.45 -1.46 0.00 0.00 175.22 174.80 1bbo s SER 38 N -1.33 1.41 0.29 6.13 0.15 -1.26 -2.52 113.70 116.55 1bbo s SER 38 Ca 0.37 -0.67 0.11 0.00 0.70 0.00 0.00 55.95 56.47 1bbo s SER 38 Cb -0.20 -0.01 -0.05 0.00 -1.71 0.00 0.00 66.02 64.05 1bbo s SER 38 CO 0.23 -0.17 -0.15 -0.36 1.20 0.00 0.00 173.24 173.99 1bbo s PHE 39 N -1.69 2.38 -0.62 3.44 0.40 0.28 -4.97 117.98 117.21 1bbo s PHE 39 Ca -0.01 -0.33 0.24 0.00 -0.60 0.00 0.00 56.93 56.22 1bbo s PHE 39 Cb -0.08 -1.08 0.25 0.00 0.51 0.00 0.00 43.02 42.62 1bbo s PHE 39 CO 0.01 0.68 1.22 1.17 0.70 0.00 0.00 175.22 179.00 1bbo n LYS 40 N -0.70 0.30 -4.26 0.44 3.00 -1.26 -2.91 118.16 112.77 1bbo n LYS 40 Ca -0.05 0.06 -0.16 0.00 -0.00 0.00 0.00 58.31 58.16 1bbo n LYS 40 Cb 0.60 -1.66 -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 -3.18 1.32 -0.72 3.15 -4.23 -1.26 -4.87 115.64 105.86 1bbo s THR 41 Ca 0.05 -1.98 0.24 0.00 -1.18 0.00 0.00 61.69 58.83 1bbo s THR 41 Cb 0.14 -1.78 0.25 0.00 1.34 0.00 0.00 72.50 72.45 1bbo s THR 41 CO 0.75 -0.62 1.74 1.17 -0.54 0.00 0.00 174.62 177.12 1bbo n LYS 42 N 0.00 0.17 0.21 3.99 4.81 -1.26 -3.78 118.16 122.30 1bbo n LYS 42 Ca -0.11 0.26 -0.08 0.00 -0.87 0.00 0.00 58.31 57.50 1bbo n LYS 42 Cb 0.59 -1.75 -0.04 0.00 0.02 0.00 0.00 35.03 33.86 1bbo n LYS 42 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1bbo h GLY 43 N 3.59 -0.56 0.72 3.14 0.00 -2.00 -2.65 103.07 105.30 1bbo h GLY 43 Ca 0.00 0.21 0.10 0.00 0.00 0.00 0.00 47.33 47.64 1bbo h GLY 43 CO 0.00 -0.20 0.54 3.43 0.00 0.00 0.00 176.54 180.31 1bbo h ASN 44 N -0.63 0.00 0.61 0.19 2.35 -2.01 -0.58 115.58 115.52 1bbo h ASN 44 Ca -0.05 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1bbo h ASN 44 Cb 0.41 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.79 1bbo h ASN 44 CO 0.09 0.00 -0.30 0.25 -1.65 0.00 0.00 177.43 175.82 1bbo h LEU 45 N 0.00 -0.70 -1.79 1.61 7.12 -1.57 -1.14 115.31 118.85 1bbo h LEU 45 Ca 0.17 -0.03 0.22 0.00 0.13 0.00 0.00 57.88 58.37 1bbo h LEU 45 Cb 1.25 0.18 -0.05 0.00 -0.53 0.00 0.00 40.66 41.52 1bbo h LEU 45 CO -0.00 -0.35 0.59 0.74 -0.13 0.00 0.00 178.44 179.29 1bbo h THR 46 N -1.07 0.63 -0.18 1.05 2.02 -0.81 0.72 112.91 115.26 1bbo h THR 46 Ca -0.08 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 66.98 1bbo h THR 46 Cb 0.68 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1bbo h THR 46 CO 0.14 0.03 -0.12 0.50 0.37 0.00 0.00 175.52 176.44 1bbo h LYS 47 N 0.18 0.40 0.00 6.66 3.64 -1.16 0.62 116.57 126.91 1bbo h LYS 47 Ca 0.42 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1bbo h LYS 47 Cb 1.39 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.20 1bbo h LYS 47 CO -0.08 0.73 -0.00 1.25 -2.27 0.00 0.00 179.45 179.07 1bbo h HIS 48 N 0.08 0.00 0.00 1.91 2.76 0.35 -2.90 115.15 117.35 1bbo h HIS 48 Ca 0.04 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 57.88 1bbo h HIS 48 Cb 0.62 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.53 1bbo h HIS 48 CO 0.07 0.00 -2.04 -1.33 -1.30 0.00 0.00 177.93 173.33 1bbo n MET 49 N -3.10 0.66 -0.28 5.26 2.81 -0.26 -4.25 117.12 117.96 1bbo n MET 49 Ca 0.00 0.14 0.05 0.00 -1.81 0.00 0.00 57.70 56.08 1bbo n MET 49 Cb 0.28 -1.66 0.19 0.00 -0.71 0.00 0.00 33.22 31.32 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 0.62 -7.17 0.03 3.64 0.48 -3.42 116.57 110.75 1bbo h LYS 50 Ca -0.41 -0.04 -0.54 0.00 -1.27 0.00 0.00 60.65 58.40 1bbo h LYS 50 Cb 2.10 -0.14 0.15 0.00 -0.41 0.00 0.00 32.23 33.94 1bbo h LYS 50 CO 0.05 0.41 0.41 0.45 -2.27 0.00 0.00 179.45 178.50 1bbo s SER 51 N -5.47 4.27 0.00 4.20 0.15 -1.23 -4.82 113.70 110.80 1bbo s SER 51 Ca -0.12 2.37 0.00 0.00 0.70 0.00 0.00 55.95 58.90 1bbo s SER 51 Cb 0.20 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1bbo s SER 51 CO 0.77 -2.21 0.62 2.29 1.20 0.00 0.00 173.24 175.91 1bbo n LYS 52 N -2.61 0.74 0.00 5.44 2.85 -1.26 -4.51 118.16 118.81 1bbo n LYS 52 Ca 0.14 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.40 1bbo n LYS 52 Cb 0.50 -1.21 0.00 0.00 -0.65 0.00 0.00 35.03 33.67 1bbo n LYS 52 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1bbo n ALA 53 N 0.46 0.00 -3.30 0.58 0.00 -1.26 -4.77 120.51 112.23 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 0.31 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.68 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 0.08 -0.43 0.00 -3.43 -1.26 -5.03 115.29 105.22 1bbo s HIS 54 Ca 0.00 -1.37 0.07 0.00 -0.80 0.00 0.00 55.06 52.95 1bbo s HIS 54 Cb 0.00 -0.53 0.23 0.00 -1.43 0.00 0.00 32.58 30.85 1bbo s HIS 54 CO 0.00 -0.95 0.60 0.45 -2.00 0.00 0.00 174.74 172.84 1bbo n SER 55 N 3.58 -1.06 0.00 7.38 2.88 -1.26 -4.93 113.62 120.21 1bbo n SER 55 Ca 0.18 -2.81 0.00 0.00 -1.33 0.00 0.00 58.87 54.91 1bbo n SER 55 Cb 0.46 0.22 0.00 0.00 -0.75 0.00 0.00 64.21 64.14 1bbo n SER 55 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1bbo n LYS 56 N 1.87 0.00 0.00 -1.46 5.02 -1.26 -5.13 118.16 117.20 1bbo n LYS 56 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1bbo n LYS 56 Cb 0.55 -0.28 0.00 0.00 -0.02 0.00 0.00 35.03 35.28 1bbo n LYS 56 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51