#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 2.63 -3.74 5.58 4.01 -1.26 -4.87 117.16 119.51 1bbo n TYR 2 Ca 0.00 -2.70 -0.28 0.00 -0.16 0.00 0.00 57.90 54.76 1bbo n TYR 2 Cb 0.00 -1.62 -0.16 0.00 -0.31 0.00 0.00 39.34 37.25 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 -1.61 0.58 -0.29 -0.72 1.01 -1.26 -4.23 121.20 114.68 1bbo s ILE 3 Ca 0.41 -0.70 -0.28 0.00 0.00 0.00 0.00 60.65 60.09 1bbo s ILE 3 Cb 0.13 -1.14 -0.06 0.00 0.01 0.00 0.00 42.46 41.40 1bbo s ILE 3 CO -0.02 -0.28 2.27 0.00 0.00 0.00 0.00 174.94 176.91 1bbo h GLU 5 N 16.08 0.00 0.00 0.00 5.08 -1.95 0.45 114.58 134.24 1bbo h GLU 5 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1bbo h GLU 5 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1bbo h GLU 5 CO 1.01 0.00 -0.01 1.49 -1.00 0.00 0.00 179.01 180.50 1bbo h GLU 6 N 0.00 0.00 0.00 2.33 4.57 -2.00 -3.42 114.58 116.06 1bbo h GLU 6 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1bbo h GLU 6 Cb 0.08 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1bbo h GLU 6 CO 0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 179.01 177.75 1bbo n GLY 8 N 1.68 1.81 3.72 0.00 0.00 0.16 -5.03 105.19 107.52 1bbo n GLY 8 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 2.30 0.14 -0.61 1.10 -1.26 -4.70 121.20 116.18 1bbo s ILE 9 Ca 0.00 0.20 0.01 0.00 -0.51 0.00 0.00 60.65 60.35 1bbo s ILE 9 Cb 0.00 -3.13 -0.04 0.00 0.15 0.00 0.00 42.46 39.45 1bbo s ILE 9 CO 0.00 0.01 0.30 -0.60 -2.11 0.00 0.00 174.94 172.54 1bbo s ARG 10 N 1.27 3.46 0.00 3.50 3.52 -1.26 -2.67 118.95 126.76 1bbo s ARG 10 Ca 0.73 -0.51 0.00 0.00 -0.13 0.00 0.00 55.73 55.83 1bbo s ARG 10 Cb -0.47 -2.95 0.00 0.00 -1.56 0.00 0.00 34.95 29.97 1bbo s ARG 10 CO 0.32 0.51 0.00 1.63 -0.81 0.00 0.00 175.30 176.95 1bbo n LYS 12 N -0.41 0.48 -3.60 5.12 5.02 -1.26 -5.06 118.16 118.44 1bbo n LYS 12 Ca -0.06 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.91 1bbo n LYS 12 Cb 0.53 -0.22 -0.05 0.00 -0.02 0.00 0.00 35.03 35.27 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 -0.82 3.69 0.00 1.97 1.02 -1.26 -4.81 119.74 119.53 1bbo s LYS 13 Ca 0.00 0.04 -0.01 0.00 0.02 0.00 0.00 55.97 56.02 1bbo s LYS 13 Cb 0.00 -2.84 -0.01 0.00 -0.52 0.00 0.00 37.83 34.47 1bbo s LYS 13 CO 0.00 0.46 0.88 -1.00 -0.92 0.00 0.00 175.35 174.77 1bbo h PRO 14 N 2.96 -0.03 -0.57 -1.68 0.13 -1.99 -2.21 132.00 128.61 1bbo h PRO 14 Ca -0.47 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.82 1bbo h PRO 14 Cb 1.17 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.20 1bbo h PRO 14 CO 0.71 -0.02 0.02 -1.13 -0.23 0.00 0.00 178.00 177.34 1bbo n SER 15 N -2.11 -0.06 -0.00 1.44 3.41 -1.26 0.19 113.62 115.22 1bbo n SER 15 Ca -0.00 0.97 -0.13 0.00 -0.26 0.00 0.00 58.87 59.45 1bbo n SER 15 Cb 0.01 -0.35 -0.09 0.00 -0.26 0.00 0.00 64.21 63.52 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 0.02 0.43 4.33 2.86 -1.98 -2.74 114.93 117.85 1bbo h MET 16 Ca 0.35 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.96 1bbo h MET 16 Cb 0.72 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.39 1bbo h MET 16 CO -0.53 0.38 -0.21 1.25 1.06 0.00 0.00 176.91 178.86 1bbo h LEU 17 N -0.34 -0.49 -0.70 1.22 7.12 0.27 -2.57 115.31 119.82 1bbo h LEU 17 Ca 0.00 -0.07 0.13 0.00 0.13 0.00 0.00 57.88 58.07 1bbo h LEU 17 Cb 0.37 0.13 -0.13 0.00 -0.53 0.00 0.00 40.66 40.50 1bbo h LEU 17 CO 0.00 -0.06 -0.21 0.29 -0.13 0.00 0.00 178.44 178.33 1bbo n LYS 18 N -5.17 -0.10 -0.20 1.25 5.02 0.46 0.26 118.16 119.68 1bbo n LYS 18 Ca -0.09 1.09 -0.10 0.00 -2.02 0.00 0.00 58.31 57.20 1bbo n LYS 18 Cb 0.27 -1.63 0.02 0.00 -0.02 0.00 0.00 35.03 33.68 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 1.06 0.02 1.97 6.56 -1.52 -2.78 116.57 121.88 1bbo h LYS 19 Ca 0.31 -0.36 -0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1bbo h LYS 19 Cb 0.48 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.06 1bbo h LYS 19 CO -0.72 1.06 -0.01 1.25 -2.06 0.00 0.00 179.45 178.98 1bbo h HIS 20 N 0.96 -0.02 -0.36 -1.35 2.76 0.40 -2.12 115.15 115.41 1bbo h HIS 20 Ca 0.16 -0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.43 1bbo h HIS 20 Cb 0.62 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.57 1bbo h HIS 20 CO 0.04 0.12 0.27 0.97 -1.30 0.00 0.00 177.93 178.03 1bbo h ILE 21 N -0.16 0.77 -0.30 6.26 6.09 -0.46 -0.37 117.51 129.35 1bbo h ILE 21 Ca -0.00 0.00 -0.17 0.00 -1.37 0.00 0.00 64.86 63.32 1bbo h ILE 21 Cb 0.15 0.81 -0.00 0.00 0.47 0.00 0.00 36.82 38.25 1bbo h ILE 21 CO 0.00 0.00 -0.49 0.03 -3.07 0.00 0.00 178.15 174.62 1bbo h ARG 22 N 0.00 0.82 -0.62 2.19 3.08 -1.11 -2.83 114.38 115.90 1bbo h ARG 22 Ca 0.17 -0.48 0.18 0.00 0.07 0.00 0.00 59.98 59.92 1bbo h ARG 22 Cb 0.71 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 1bbo h ARG 22 CO -0.00 1.12 0.84 1.15 -1.07 0.00 0.00 179.97 182.00 1bbo h THR 23 N 0.64 0.13 -0.02 2.04 2.02 -0.56 1.51 112.91 118.68 1bbo h THR 23 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1bbo h THR 23 Cb 1.08 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1bbo h THR 23 CO 0.11 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.41 1bbo n HIS 24 N -3.31 0.05 0.00 3.16 8.25 -1.07 -4.48 115.22 117.82 1bbo n HIS 24 Ca 0.13 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 1bbo n HIS 24 Cb 1.05 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 32.05 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 -0.02 0.00 -2.20 1.59 -2.24 0.51 -5.00 114.28 106.93 1bbo n THR 25 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1bbo n THR 25 Cb 0.26 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.48 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 0.21 -2.44 3.42 8.00 -1.26 -4.90 116.55 119.58 1bbo n ASP 26 Ca 0.00 -1.87 -0.34 0.00 0.71 0.00 0.00 54.79 53.29 1bbo n ASP 26 Cb 0.00 -0.12 0.06 0.00 -0.02 0.00 0.00 41.12 41.04 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 0.20 3.51 -3.88 2.53 3.14 -1.26 -4.77 118.33 117.79 1bbo n VAL 27 Ca -0.03 -3.14 -0.29 0.00 -2.96 0.00 0.00 64.34 57.93 1bbo n VAL 27 Cb 0.86 -1.23 -0.13 0.00 -1.06 0.00 0.00 33.84 32.28 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 -3.52 2.08 0.00 1.45 0.52 -1.26 -4.73 118.95 113.50 1bbo s ARG 28 Ca 0.57 -2.86 0.00 0.00 -0.52 0.00 0.00 55.73 52.92 1bbo s ARG 28 Cb 0.45 -3.19 0.00 0.00 0.52 0.00 0.00 34.95 32.73 1bbo s ARG 28 CO -0.13 -1.20 0.21 -2.30 0.02 0.00 0.00 175.30 171.89 1bbo n PRO 29 N 2.64 0.26 -3.49 3.54 -0.02 -1.25 -4.09 135.00 132.59 1bbo n PRO 29 Ca 0.13 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.34 1bbo n PRO 29 Cb 0.34 -1.27 -0.10 0.00 -0.02 0.00 0.00 33.50 32.46 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 0.66 0.91 -3.58 6.00 4.01 -1.21 -5.02 117.16 118.93 1bbo n TYR 30 Ca 0.00 -3.74 -0.37 0.00 -0.16 0.00 0.00 57.90 53.63 1bbo n TYR 30 Cb 0.10 -0.20 -0.06 0.00 -0.31 0.00 0.00 39.34 38.87 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 -0.93 3.68 0.35 -0.72 3.76 -1.26 -1.57 115.29 118.59 1bbo s HIS 31 Ca 0.32 0.87 -0.28 0.00 -0.15 0.00 0.00 55.06 55.82 1bbo s HIS 31 Cb 0.06 -2.20 -0.11 0.00 1.11 0.00 0.00 32.58 31.44 1bbo s HIS 31 CO -0.15 0.63 1.38 0.00 -0.85 0.00 0.00 174.74 175.75 1bbo h THR 33 N 2.99 0.29 0.00 0.00 2.02 -1.96 -3.35 112.91 112.90 1bbo h THR 33 Ca -0.50 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.46 1bbo h THR 33 Cb 1.23 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 1bbo h THR 33 CO 0.65 0.03 0.00 -1.22 0.37 0.00 0.00 175.52 175.35 1bbo n TYR 34 N -3.42 0.00 -0.05 3.16 4.02 -1.26 -5.03 117.16 114.58 1bbo n TYR 34 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1bbo n TYR 34 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.47 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 -2.93 1.21 -4.82 0.00 2.85 -1.26 -4.44 115.26 105.88 1bbo n ASN 36 Ca 0.00 -1.11 -0.32 0.00 -0.11 0.00 0.00 54.58 53.03 1bbo n ASN 36 Cb 0.00 -0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.03 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 -0.21 3.12 0.26 1.20 5.36 -1.26 -4.82 117.98 121.63 1bbo s PHE 37 Ca 0.03 1.47 -0.04 0.00 -0.96 0.00 0.00 56.93 57.43 1bbo s PHE 37 Cb 0.02 -2.93 -0.02 0.00 -0.34 0.00 0.00 43.02 39.75 1bbo s PHE 37 CO 0.03 -1.01 0.33 0.45 -1.46 0.00 0.00 175.22 173.56 1bbo s SER 38 N -3.12 0.37 0.11 6.13 0.15 -1.26 -1.88 113.70 114.20 1bbo s SER 38 Ca 0.61 -1.29 0.03 0.00 0.70 0.00 0.00 55.95 56.00 1bbo s SER 38 Cb -0.14 0.52 -0.04 0.00 -1.71 0.00 0.00 66.02 64.65 1bbo s SER 38 CO 0.41 -1.06 -0.08 -0.36 1.20 0.00 0.00 173.24 173.35 1bbo s PHE 39 N -3.81 1.00 -0.99 3.44 0.40 -0.61 -4.97 117.98 112.43 1bbo s PHE 39 Ca 0.32 -0.85 0.27 0.00 -0.60 0.00 0.00 56.93 56.07 1bbo s PHE 39 Cb 0.02 -0.55 0.88 0.00 0.51 0.00 0.00 43.02 43.89 1bbo s PHE 39 CO 0.14 -0.08 1.68 1.17 0.70 0.00 0.00 175.22 178.84 1bbo n LYS 40 N -0.02 0.01 -4.15 0.44 3.00 -1.26 -3.36 118.16 112.82 1bbo n LYS 40 Ca -0.12 0.01 -0.13 0.00 -0.00 0.00 0.00 58.31 58.06 1bbo n LYS 40 Cb 0.60 -1.51 -0.11 0.00 0.00 0.00 0.00 35.03 34.02 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 -3.01 0.81 -0.17 3.15 -4.23 -1.26 -4.85 115.64 106.09 1bbo s THR 41 Ca 0.12 -1.58 0.29 0.00 -1.18 0.00 0.00 61.69 59.34 1bbo s THR 41 Cb 0.18 -1.27 0.36 0.00 1.34 0.00 0.00 72.50 73.11 1bbo s THR 41 CO 0.61 -0.58 1.84 0.50 -0.54 0.00 0.00 174.62 176.45 1bbo h LYS 42 N 3.64 0.00 0.77 3.99 3.64 -1.99 -3.27 116.57 123.36 1bbo h LYS 42 Ca -0.37 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.98 1bbo h LYS 42 Cb 1.19 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1bbo h LYS 42 CO 0.53 0.00 -0.37 0.78 -2.27 0.00 0.00 179.45 178.11 1bbo h GLY 43 N 2.77 -1.09 -0.07 5.01 0.00 -1.99 -2.68 103.07 105.03 1bbo h GLY 43 Ca 0.00 0.40 0.23 0.00 0.00 0.00 0.00 47.33 47.97 1bbo h GLY 43 CO 0.00 -0.39 0.61 3.43 0.00 0.00 0.00 176.54 180.18 1bbo h ASN 44 N -1.05 0.68 0.00 0.19 -0.26 -2.00 -1.27 115.58 111.88 1bbo h ASN 44 Ca -0.11 0.12 0.02 0.00 -0.56 0.00 0.00 56.30 55.78 1bbo h ASN 44 Cb 0.80 0.01 -0.06 0.00 -1.06 0.00 0.00 38.32 38.01 1bbo h ASN 44 CO 0.17 0.15 -0.53 0.25 -1.06 0.00 0.00 177.43 176.41 1bbo h LEU 45 N 0.61 -1.65 -1.73 1.61 7.12 -1.54 0.30 115.31 120.04 1bbo h LEU 45 Ca 0.62 0.18 0.22 0.00 0.13 0.00 0.00 57.88 59.04 1bbo h LEU 45 Cb 1.17 0.63 -0.05 0.00 -0.53 0.00 0.00 40.66 41.88 1bbo h LEU 45 CO -0.43 -0.52 0.60 0.74 -0.13 0.00 0.00 178.44 178.69 1bbo h THR 46 N -0.67 0.63 -0.11 1.05 2.02 -0.95 0.39 112.91 115.26 1bbo h THR 46 Ca 0.01 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1bbo h THR 46 Cb 0.72 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1bbo h THR 46 CO -0.36 0.04 0.01 0.50 0.37 0.00 0.00 175.52 176.08 1bbo h LYS 47 N 0.22 0.20 0.00 6.66 3.64 -0.14 0.18 116.57 127.33 1bbo h LYS 47 Ca 0.44 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.75 1bbo h LYS 47 Cb 1.36 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1bbo h LYS 47 CO -0.10 0.43 -0.03 1.25 -2.27 0.00 0.00 179.45 178.73 1bbo h HIS 48 N -0.06 0.00 0.00 1.91 2.76 0.11 -2.11 115.15 117.75 1bbo h HIS 48 Ca 0.03 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1bbo h HIS 48 Cb 0.34 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.30 1bbo h HIS 48 CO 0.03 0.03 -1.05 -1.33 -1.30 0.00 0.00 177.93 174.31 1bbo n MET 49 N -3.17 0.61 -0.07 5.26 2.81 -0.33 -4.09 117.12 118.15 1bbo n MET 49 Ca -0.00 0.11 -0.11 0.00 -1.81 0.00 0.00 57.70 55.89 1bbo n MET 49 Cb 0.26 -1.81 -0.04 0.00 -0.71 0.00 0.00 33.22 30.91 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 0.36 -6.84 0.03 3.64 0.07 -3.44 116.57 110.39 1bbo h LYS 50 Ca 0.00 -0.09 -0.56 0.00 -1.27 0.00 0.00 60.65 58.74 1bbo h LYS 50 Cb 1.00 -0.05 0.18 0.00 -0.41 0.00 0.00 32.23 32.95 1bbo h LYS 50 CO 0.00 0.47 -0.10 0.45 -2.27 0.00 0.00 179.45 178.01 1bbo n SER 51 N -4.75 -0.20 -0.49 4.20 2.88 -1.22 -4.80 113.62 109.25 1bbo n SER 51 Ca -0.04 0.63 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 1bbo n SER 51 Cb 0.17 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.30 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 -1.46 0.95 0.00 -1.46 5.02 -1.26 -4.46 118.16 115.49 1bbo n LYS 52 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1bbo n LYS 52 Cb 0.50 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 1bbo n LYS 52 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bbo n ALA 53 N 0.02 0.00 -3.33 7.82 0.00 -1.26 -4.59 120.51 119.17 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 0.23 0.14 -0.08 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.91 0.11 0.00 0.00 -3.43 -1.26 -4.92 115.29 104.87 1bbo s HIS 54 Ca 0.00 -1.33 0.00 0.00 -0.80 0.00 0.00 55.06 52.93 1bbo s HIS 54 Cb 0.00 -0.56 0.00 0.00 -1.43 0.00 0.00 32.58 30.59 1bbo s HIS 54 CO 0.00 -0.94 0.00 0.43 -2.00 0.00 0.00 174.74 172.23 1bbo n SER 55 N 3.72 0.00 0.00 7.38 7.64 -1.26 -4.95 113.62 126.15 1bbo n SER 55 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1bbo n SER 55 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 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 -0.54 0.00 0.00 1.43 5.02 -1.26 -5.21 118.16 117.60 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 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1bbo n LYS 56 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51