#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i91 n VAL 10 N 0.00 0.43 -1.65 5.15 0.31 -1.26 -5.03 118.33 116.29 3i91 n VAL 10 Ca 0.00 -0.18 -0.58 0.00 -0.01 0.00 0.00 64.34 63.57 3i91 n VAL 10 Cb 0.00 -0.78 -0.08 0.00 -0.91 0.00 0.00 33.84 32.08 3i91 n VAL 10 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 3i91 n PHE 11 N -2.67 1.59 -3.75 3.52 7.35 -1.26 -4.96 117.46 117.29 3i91 n PHE 11 Ca -0.13 0.78 -0.12 0.00 -0.76 0.00 0.00 57.45 57.22 3i91 n PHE 11 Cb 0.65 -2.31 -0.07 0.00 0.35 0.00 0.00 39.48 38.09 3i91 n PHE 11 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3i91 s ALA 12 N 1.94 -0.71 0.32 3.13 0.00 -1.26 -5.03 121.76 120.15 3i91 s ALA 12 Ca 0.94 0.03 -0.29 0.00 0.00 0.00 0.00 51.96 52.64 3i91 s ALA 12 Cb -1.16 0.33 -0.10 0.00 0.00 0.00 0.00 23.12 22.19 3i91 s ALA 12 CO 0.62 -0.42 1.29 0.00 0.00 0.00 0.00 175.76 177.25 3i91 s ALA 13 N -2.56 3.49 -0.23 0.00 0.00 -1.26 -0.94 121.76 120.27 3i91 s ALA 13 Ca -0.05 1.21 -0.10 0.00 0.00 0.00 0.00 51.96 53.03 3i91 s ALA 13 Cb -0.01 -3.46 -0.18 0.00 0.00 0.00 0.00 23.12 19.47 3i91 s ALA 13 CO -0.03 -0.58 -0.05 -1.91 0.00 0.00 0.00 175.76 173.18 3i91 n GLU 14 N 0.98 0.64 -3.62 0.00 2.13 0.52 -4.57 120.64 116.72 3i91 n GLU 14 Ca 0.00 0.30 -0.13 0.00 0.66 0.00 0.00 57.16 58.00 3i91 n GLU 14 Cb 0.42 -1.60 -0.06 0.00 0.27 0.00 0.00 31.44 30.48 3i91 n GLU 14 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i91 s ALA 15 N -2.49 -1.16 -0.17 4.31 0.00 -0.94 -4.98 121.76 116.33 3i91 s ALA 15 Ca -0.32 0.41 -0.02 0.00 0.00 0.00 0.00 51.96 52.03 3i91 s ALA 15 Cb 0.10 0.41 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 3i91 s ALA 15 CO 0.60 -0.50 -0.10 -0.51 0.00 0.00 0.00 175.76 175.24 3i91 s LEU 16 N -2.08 2.73 -0.04 0.00 1.43 -1.26 -1.21 118.68 118.25 3i91 s LEU 16 Ca -0.04 -0.38 0.18 0.00 -1.03 0.00 0.00 54.13 52.85 3i91 s LEU 16 Cb -0.00 -1.65 -0.27 0.00 0.03 0.00 0.00 46.19 44.30 3i91 s LEU 16 CO -0.03 0.08 0.35 0.18 0.23 0.00 0.00 176.35 177.15 3i91 n LEU 17 N 4.13 0.00 -3.48 1.79 4.32 0.59 -4.98 117.00 119.37 3i91 n LEU 17 Ca -0.18 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.71 3i91 n LEU 17 Cb 0.52 0.06 -0.02 0.00 -1.62 0.00 0.00 43.42 42.35 3i91 n LEU 17 CO 0.30 0.06 0.60 -0.75 -1.22 0.00 0.00 177.39 176.37 3i91 s LYS 18 N -3.13 0.95 0.08 3.23 2.20 -1.26 -4.97 119.74 116.85 3i91 s LYS 18 Ca -0.07 -0.31 0.07 0.00 -0.36 0.00 0.00 55.97 55.30 3i91 s LYS 18 Cb 0.11 0.44 -0.03 0.00 -1.51 0.00 0.00 37.83 36.83 3i91 s LYS 18 CO 0.74 -0.41 -0.19 0.50 -0.36 0.00 0.00 175.35 175.63 3i91 s ARG 19 N -3.16 1.06 0.16 4.03 3.00 -1.26 -0.86 118.95 121.93 3i91 s ARG 19 Ca 0.03 -1.05 -0.03 0.00 -1.00 0.00 0.00 55.73 53.68 3i91 s ARG 19 Cb -0.01 -1.22 -0.03 0.00 0.00 0.00 0.00 34.95 33.69 3i91 s ARG 19 CO -0.09 0.29 0.14 -0.98 0.00 0.00 0.00 175.30 174.66 3i91 s ARG 20 N -1.71 1.09 -0.12 5.12 1.70 -0.09 -5.00 118.95 119.94 3i91 s ARG 20 Ca 0.04 -1.45 0.01 0.00 -0.47 0.00 0.00 55.73 53.87 3i91 s ARG 20 Cb -0.10 0.29 0.02 0.00 -0.57 0.00 0.00 34.95 34.59 3i91 s ARG 20 CO 0.03 -0.35 -0.16 0.42 -1.08 0.00 0.00 175.30 174.17 3i91 s ILE 21 N -4.07 1.58 -0.10 4.99 1.01 -1.26 -0.44 121.20 122.90 3i91 s ILE 21 Ca 0.28 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 60.24 3i91 s ILE 21 Cb 0.06 -1.45 0.03 0.00 0.01 0.00 0.00 42.46 41.11 3i91 s ILE 21 CO 0.05 0.46 -0.06 -0.60 0.00 0.00 0.00 174.94 174.79 3i91 s ARG 22 N 1.12 1.35 -1.43 2.79 3.52 -0.55 -4.76 118.95 120.98 3i91 s ARG 22 Ca -0.03 -0.18 -0.07 0.00 -0.13 0.00 0.00 55.73 55.31 3i91 s ARG 22 Cb -0.14 -1.46 0.04 0.00 -1.56 0.00 0.00 34.95 31.83 3i91 s ARG 22 CO -0.04 -0.27 0.82 1.63 -0.81 0.00 0.00 175.30 176.62 3i91 n LYS 23 N 4.97 -5.08 -1.63 5.12 4.01 -1.26 -2.19 118.16 122.11 3i91 n LYS 23 Ca -0.11 0.59 -0.19 0.00 -0.51 0.00 0.00 58.31 58.09 3i91 n LYS 23 Cb 0.50 -5.28 -0.07 0.00 -0.51 0.00 0.00 35.03 29.67 3i91 n LYS 23 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3i91 n GLY 24 N -1.66 1.58 3.20 0.72 0.00 -1.26 -5.00 105.19 102.76 3i91 n GLY 24 Ca -0.13 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 3i91 n GLY 24 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i91 s ARG 25 N -3.73 2.34 0.29 1.61 3.52 -0.93 -5.13 118.95 116.92 3i91 s ARG 25 Ca 0.00 -0.77 -0.29 0.00 -0.13 0.00 0.00 55.73 54.54 3i91 s ARG 25 Cb 0.00 -1.93 -0.10 0.00 -1.56 0.00 0.00 34.95 31.36 3i91 s ARG 25 CO 0.00 0.27 1.17 -1.64 -0.81 0.00 0.00 175.30 174.29 3i91 s MET 26 N 0.07 4.54 0.05 5.12 -1.94 -1.26 -1.49 119.30 124.38 3i91 s MET 26 Ca -0.08 1.94 0.04 0.00 -1.71 0.00 0.00 55.69 55.89 3i91 s MET 26 Cb -0.14 -3.16 -0.02 0.00 2.01 0.00 0.00 34.83 33.52 3i91 s MET 26 CO 0.04 0.06 -0.12 -1.21 -0.01 0.00 0.00 175.02 173.79 3i91 s GLU 27 N -1.45 0.75 0.04 2.03 2.02 0.41 -4.16 118.70 118.34 3i91 s GLU 27 Ca 0.47 -0.77 0.07 0.00 0.02 0.00 0.00 54.97 54.76 3i91 s GLU 27 Cb -0.35 -0.69 -0.02 0.00 0.10 0.00 0.00 34.13 33.17 3i91 s GLU 27 CO 0.44 0.16 -0.21 0.71 0.02 0.00 0.00 175.26 176.38 3i91 s TYR 28 N -1.05 1.84 -0.41 1.61 2.02 0.45 -0.91 117.35 120.90 3i91 s TYR 28 Ca -0.02 -0.37 -0.21 0.00 -0.37 0.00 0.00 57.07 56.09 3i91 s TYR 28 Cb -0.09 -1.11 0.02 0.00 -0.40 0.00 0.00 41.96 40.38 3i91 s TYR 28 CO 0.01 0.08 0.69 -1.17 -1.57 0.00 0.00 175.55 173.59 3i91 s LEU 29 N -1.09 4.33 -0.22 -1.29 2.96 -0.04 -0.69 118.68 122.65 3i91 s LEU 29 Ca 0.08 -0.07 -0.09 0.00 -0.22 0.00 0.00 54.13 53.82 3i91 s LEU 29 Cb -0.09 -2.83 -0.04 0.00 0.50 0.00 0.00 46.19 43.72 3i91 s LEU 29 CO 0.01 -0.76 0.12 -0.69 -1.32 0.00 0.00 176.35 173.71 3i91 s VAL 30 N 2.94 5.08 -0.25 1.68 1.01 0.58 -0.30 120.40 131.14 3i91 s VAL 30 Ca 0.26 0.08 -0.21 0.00 0.00 0.00 0.00 61.98 62.11 3i91 s VAL 30 Cb -0.14 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 3i91 s VAL 30 CO 0.19 0.39 0.66 -0.75 0.00 0.00 0.00 175.10 175.58 3i91 s LYS 31 N 0.81 4.12 0.06 2.72 2.47 -0.35 -1.94 119.74 127.62 3i91 s LYS 31 Ca 0.06 0.60 -0.21 0.00 -1.56 0.00 0.00 55.97 54.86 3i91 s LYS 31 Cb -0.13 -3.65 -0.06 0.00 -1.46 0.00 0.00 37.83 32.53 3i91 s LYS 31 CO 0.02 -0.43 0.62 -1.58 0.16 0.00 0.00 175.35 174.15 3i91 s TRP 32 N 2.55 3.78 0.14 4.03 0.52 -1.26 -0.35 118.94 128.34 3i91 s TRP 32 Ca 0.27 1.31 -0.31 0.00 0.02 0.00 0.00 56.10 57.39 3i91 s TRP 32 Cb -0.15 -2.59 -0.10 0.00 -1.15 0.00 0.00 33.47 29.48 3i91 s TRP 32 CO 0.08 0.48 1.67 0.21 0.02 0.00 0.00 176.95 179.42 3i91 s LYS 33 N -0.76 4.18 0.00 4.98 2.20 -0.11 -2.43 119.74 127.80 3i91 s LYS 33 Ca 0.31 2.44 0.00 0.00 -0.36 0.00 0.00 55.97 58.36 3i91 s LYS 33 Cb -0.20 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 3i91 s LYS 33 CO 0.20 -0.72 0.00 0.41 -0.36 0.00 0.00 175.35 174.88 3i91 n GLY 34 N 3.96 0.67 3.07 5.54 0.00 -1.26 -4.71 105.19 112.45 3i91 n GLY 34 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 3i91 n GLY 34 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3i91 s TRP 35 N -2.31 1.06 0.97 1.61 0.52 -1.02 -5.14 118.94 114.63 3i91 s TRP 35 Ca 0.00 -0.20 -0.12 0.00 0.02 0.00 0.00 56.10 55.80 3i91 s TRP 35 Cb 0.00 -0.68 0.17 0.00 -1.15 0.00 0.00 33.47 31.81 3i91 s TRP 35 CO 0.00 -0.02 1.09 -1.54 0.02 0.00 0.00 176.95 176.50 3i91 s SER 36 N -0.26 2.85 0.36 2.95 1.04 -1.26 -4.55 113.70 114.84 3i91 s SER 36 Ca 0.04 1.34 0.25 0.00 0.48 0.00 0.00 55.95 58.07 3i91 s SER 36 Cb -0.05 -2.02 1.31 0.00 0.10 0.00 0.00 66.02 65.36 3i91 s SER 36 CO -0.00 -3.01 1.78 -0.61 0.98 0.00 0.00 173.24 172.38 3i91 h GLN 37 N -1.80 0.00 0.00 4.02 4.15 -1.99 -0.61 115.11 118.88 3i91 h GLN 37 Ca -0.53 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 58.89 3i91 h GLN 37 Cb 1.31 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.00 3i91 h GLN 37 CO 0.56 0.00 -0.00 0.87 -1.93 0.00 0.00 178.83 178.32 3i91 h LYS 38 N 0.00 0.00 -0.09 1.69 1.57 -2.01 -2.31 116.57 115.42 3i91 h LYS 38 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i91 h LYS 38 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3i91 h LYS 38 CO 0.00 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.54 3i91 n TYR 39 N -3.19 0.08 -1.98 -1.35 4.01 -0.23 -4.99 117.16 109.52 3i91 n TYR 39 Ca -0.03 -0.04 -0.41 0.00 -0.16 0.00 0.00 57.90 57.26 3i91 n TYR 39 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.11 3i91 n TYR 39 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3i91 s SER 40 N -1.91 6.59 0.04 7.72 0.01 -0.87 -4.85 113.70 120.42 3i91 s SER 40 Ca 0.30 2.84 -0.06 0.00 1.31 0.00 0.00 55.95 60.35 3i91 s SER 40 Cb 0.21 -2.66 -0.01 0.00 0.21 0.00 0.00 66.02 63.77 3i91 s SER 40 CO 0.30 -0.68 0.10 0.42 0.41 0.00 0.00 173.24 173.79 3i91 s THR 41 N -1.07 0.13 0.05 1.44 -4.23 -0.82 -4.92 115.64 106.23 3i91 s THR 41 Ca 0.51 -1.10 -0.26 0.00 -1.18 0.00 0.00 61.69 59.67 3i91 s THR 41 Cb -0.43 -0.92 -0.05 0.00 1.34 0.00 0.00 72.50 72.44 3i91 s THR 41 CO 0.57 -0.61 0.79 0.26 -0.54 0.00 0.00 174.62 175.09 3i91 s TRP 42 N -2.66 3.74 0.01 3.99 0.52 -1.26 -0.31 118.94 122.98 3i91 s TRP 42 Ca -0.04 1.51 0.00 0.00 0.02 0.00 0.00 56.10 57.59 3i91 s TRP 42 Cb -0.01 -2.85 -0.01 0.00 -1.15 0.00 0.00 33.47 29.45 3i91 s TRP 42 CO -0.05 0.26 -0.02 -1.21 0.02 0.00 0.00 176.95 175.95 3i91 s GLU 43 N -0.03 0.20 0.81 4.98 0.41 0.14 -4.88 118.70 120.33 3i91 s GLU 43 Ca 0.40 -0.38 -0.11 0.00 -0.41 0.00 0.00 54.97 54.46 3i91 s GLU 43 Cb -0.21 0.05 0.08 0.00 -1.78 0.00 0.00 34.13 32.27 3i91 s GLU 43 CO 0.24 -0.03 1.09 -1.25 -0.49 0.00 0.00 175.26 174.83 3i91 s PRO 44 N -0.90 1.95 0.33 0.39 0.04 -1.26 -0.41 135.00 135.13 3i91 s PRO 44 Ca -0.10 0.72 0.09 0.00 0.04 0.00 0.00 61.00 61.75 3i91 s PRO 44 Cb -0.06 -1.90 0.84 0.00 0.04 0.00 0.00 34.50 33.42 3i91 s PRO 44 CO -0.01 -1.74 1.78 1.49 0.04 0.00 0.00 177.00 178.57 3i91 h GLU 45 N -1.18 0.64 0.00 4.56 4.81 -1.90 -0.91 114.58 120.60 3i91 h GLU 45 Ca -0.47 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3i91 h GLU 45 Cb 1.27 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3i91 h GLU 45 CO 0.58 0.43 0.00 -0.85 -0.73 0.00 0.00 179.01 178.43 3i91 n GLU 46 N -4.74 0.16 -0.09 1.92 0.00 -1.26 -1.08 120.64 115.55 3i91 n GLU 46 Ca 0.24 0.45 0.12 0.00 0.00 0.00 0.00 57.16 57.97 3i91 n GLU 46 Cb 0.65 -1.84 0.21 0.00 0.00 0.00 0.00 31.44 30.46 3i91 n GLU 46 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3i91 n ASN 47 N -2.15 2.94 -4.18 -1.84 3.02 -0.35 -4.74 115.26 107.95 3i91 n ASN 47 Ca 0.02 -1.93 -0.34 0.00 -0.03 0.00 0.00 54.58 52.30 3i91 n ASN 47 Cb 0.18 -0.12 -0.15 0.00 -0.61 0.00 0.00 39.78 39.08 3i91 n ASN 47 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3i91 s ILE 48 N -1.77 2.47 -0.61 2.41 1.01 -0.24 -4.94 121.20 119.52 3i91 s ILE 48 Ca 0.34 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 60.22 3i91 s ILE 48 Cb 0.21 -2.06 0.36 0.00 0.01 0.00 0.00 42.46 40.98 3i91 s ILE 48 CO 0.31 0.51 1.19 0.18 0.00 0.00 0.00 174.94 177.12 3i91 n LEU 49 N 4.61 5.14 -3.41 2.97 4.77 -1.26 -4.78 117.00 125.04 3i91 n LEU 49 Ca -0.20 -5.44 -0.21 0.00 -0.03 0.00 0.00 56.01 50.13 3i91 n LEU 49 Cb 0.50 -0.64 -0.10 0.00 -2.33 0.00 0.00 43.42 40.86 3i91 n LEU 49 CO 0.27 2.24 -0.22 -0.62 -1.33 0.00 0.00 177.39 177.73 3i91 s ASP 50 N -3.06 1.96 0.18 -1.43 -1.08 -1.26 -5.01 116.67 106.96 3i91 s ASP 50 Ca 0.48 -1.49 -0.05 0.00 -0.52 0.00 0.00 52.55 50.96 3i91 s ASP 50 Cb 0.32 0.23 0.07 0.00 -1.46 0.00 0.00 42.92 42.08 3i91 s ASP 50 CO -0.18 -0.32 1.49 0.00 0.52 0.00 0.00 175.17 176.68 3i91 h ALA 51 N 7.48 0.66 -0.69 3.66 0.00 -1.98 -0.16 119.26 128.23 3i91 h ALA 51 Ca -0.02 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 3i91 h ALA 51 Cb 1.04 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3i91 h ALA 51 CO 0.27 0.68 0.43 0.00 0.00 0.00 0.00 179.25 180.63 3i91 h ARG 52 N 0.51 0.93 -0.34 0.00 3.08 -1.99 0.15 114.38 116.72 3i91 h ARG 52 Ca 0.02 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 3i91 h ARG 52 Cb 1.08 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 3i91 h ARG 52 CO 0.10 0.65 0.04 1.25 -1.07 0.00 0.00 179.97 180.94 3i91 h LEU 53 N 0.94 0.56 -0.31 3.04 5.85 -1.90 -0.72 115.31 122.77 3i91 h LEU 53 Ca 0.25 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3i91 h LEU 53 Cb -0.05 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 3i91 h LEU 53 CO -0.05 0.70 0.20 -0.07 -0.34 0.00 0.00 178.44 178.89 3i91 h LEU 54 N 0.41 0.35 -0.70 2.25 3.38 -0.75 -2.30 115.31 117.94 3i91 h LEU 54 Ca 0.10 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3i91 h LEU 54 Cb 0.39 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3i91 h LEU 54 CO 0.01 0.25 0.14 0.00 0.09 0.00 0.00 178.44 178.93 3i91 h ALA 55 N 1.12 0.93 -0.54 1.53 0.00 -0.56 -2.80 119.26 118.94 3i91 h ALA 55 Ca 0.12 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3i91 h ALA 55 Cb -0.04 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3i91 h ALA 55 CO -0.03 0.67 0.17 0.00 0.00 0.00 0.00 179.25 180.07 3i91 h ALA 56 N 1.07 1.30 -0.74 0.00 0.00 -1.05 -2.34 119.26 117.50 3i91 h ALA 56 Ca 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3i91 h ALA 56 Cb 0.41 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3i91 h ALA 56 CO 0.01 0.50 0.41 0.35 0.00 0.00 0.00 179.25 180.52 3i91 h PHE 57 N 0.78 1.01 0.00 0.00 3.57 -1.16 -2.50 116.94 118.63 3i91 h PHE 57 Ca 0.18 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.59 3i91 h PHE 57 Cb 0.22 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 3i91 h PHE 57 CO 0.01 0.71 -0.35 1.49 -2.23 0.00 0.00 178.31 177.94 3i91 h GLU 58 N 1.01 0.00 0.00 1.11 4.81 -1.24 -2.15 114.58 118.12 3i91 h GLU 58 Ca 0.26 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.39 3i91 h GLU 58 Cb 0.03 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3i91 h GLU 58 CO -0.04 0.35 -0.47 0.93 -0.73 0.00 0.00 179.01 179.04 3i91 h GLU 59 N 0.00 0.00 0.00 1.92 5.08 -0.98 -3.52 114.58 117.09 3i91 h GLU 59 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i91 h GLU 59 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3i91 h GLU 59 CO 0.04 0.47 0.00 0.54 -1.00 0.00 0.00 179.01 179.06